A0A3Q0KBC0_SCHMA Loading...

Eukaryotic translation initiation factor 3 subunit C

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation.

AlphaFold DB , UniProt , Accession A0A3Q0KBC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 862 aa.

						>A0A3Q0KBC0_SCHMA|A0A3Q0KBC0
MYADIFSSSDSDREEEPVRRIESRPLHLSSDEEDIKRIVKSGRNKRCEEMQSIIKNLNNHKKIKDMSNIIIDFQNLVKVYEKSVQMNDFDGVPPFYVRCIAELEDFVNDSWEKKKEMNKGAVKSLATLKQRVKKYTRLFEANIRDFRENSENYVDEEPGISDIEADEQEAAPSPIKVSGTLPTSTVKKSTRKSIASDSEDDDDDMDDSDSDDFSDDDDSSSTSSIDINLDRCKDPSVYFLKSTSDDKKDKTKIKKIAKDRSTKKQLRASSDIEDGTWTTIDSYGRPEIQVQAFEKGQEINFDVVVKKMTEILASRGKKGASTSDQIVLLMQVEEKIKECDLSRGLHVKVLFAFISVLFDYDKKHDCMNSNLFDRTLNAFDRLFDLLNEINIQLIALDSNDDESFEHEPYRIKASILTVVGLLDVECFKVLQNANGHESEYVDRLRDERRVCNIIDRLCVYLEKKEYPPDALCAAYLHKLEHMYYKFDFEWGRKVEASSMEEVGLHPNTLVIQKLCEYIYLNDRTDRLRTRAILCHIYHLALYNQWFKARDLMLMSDLQMSIEHADQSTMILYNRAMVQLGLCAFRQSHIRDAHNALADMIGSNRIRELLAQGLHTQSRYEKTTEEEKREQALQMPYHMYINIDLIECVYLVSAMLLEIPNLAAHETDLRWRPISKPFHLALRVHDRAALVGPPETPRDHVLAAAKAMRYGNWKACTNFIINPKMDAKIWDLLFESNKVKQNLEVKIKEESLRSFLFTFSAIHDSMTLDRLSMCFELPKSVIYSVICRMIINQELAASLEVPSDALIMHKTERSRLQALALQLSDKVNSIVEMNDKLIESRTGGLSGLKGSQSYQGTRRQAFV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	35.7	Very low	226 Å²	226	150.2 Å²	150.2	100%	1.113	83%	0.829	S	S	*	*				0	124.2	0	-91.1	-173	-170	0	0	107.8
2	Y	34.4	Very low	35.5	Very low	216 Å²	216	149.3 Å²	149.3	85%	0.847	82%	0.822	S	S	*	*			trans	43.3	102.3	151.8	-61.9	-81.3	0	0	0	118
3	A	33.7	Very low	35.5	Very low	74 Å²	74	154.5 Å²	154.5	61%	0.612	82%	0.822	S	S	*	*				89.1	137.7	74	0	0	0	0	0	112.2
4	D	35.8	Very low	35.3	Very low	150 Å²	150	155.3 Å²	155.3	80%	0.802	82%	0.818	S	S	*	*			trans	76.4	110.1	164.6	-50.8	-28.3	0	0	0	117.3
5	I	44	Very low	35.2	Very low	166 Å²	166	158.1 Å²	158.1	85%	0.851	83%	0.825	S	S	*	*				-166.4	78.3	123	-76.4	136.3	0	0	0	106.5
6	F	35.6	Very low	35.3	Very low	222 Å²	222	159.8 Å²	159.8	97%	0.974	83%	0.827	S	S	*	*			trans	-112.4	103.6	139.3	-85.4	-79.3	0	0	0	104.6
7	S	34.1	Very low	35.2	Very low	111 Å²	111	156.7 Å²	156.7	78%	0.776	82%	0.82	S	S	*	*			trans	-154.2	129.1	163.7	-168.2	0	0	0	0	108.7
8	S	34.8	Very low	35.1	Very low	116 Å²	116	156.2 Å²	156.2	81%	0.811	82%	0.824	S	S	*	*			trans	-61.8	145.2	-174.4	53.8	0	0	0	0	113.2
9	S	35.1	Very low	35.1	Very low	108 Å²	108	159.9 Å²	159.9	76%	0.755	83%	0.826	S	S	*	*			trans	-150.9	105.5	150.1	-169.1	0	0	0	0	108.9
10	D	32.8	Very low	34.9	Very low	160 Å²	160	163.2 Å²	163.2	86%	0.856	83%	0.827	S	S	*	*			trans	-40.5	131.1	154.1	-92.9	-41.1	0	0	0	110.9
11	S	38.1	Very low	35	Very low	103 Å²	103	163.6 Å²	163.6	72%	0.72	83%	0.83	S	S	*	*			trans	-169.9	93.3	152.2	33.3	0	0	0	0	110.5
12	D	33.3	Very low	35	Very low	139 Å²	139	161 Å²	161	74%	0.743	82%	0.815	S	S	*	*			trans	25.2	136	130.6	-67.6	-22.2	0	0	0	120.2
13	R	35.2	Very low	34.8	Very low	218 Å²	218	156.1 Å²	156.1	82%	0.823	81%	0.812	S	S	*	*			trans	89.2	130.8	157.8	-63.1	164.7	-167.6	-173.2	3.1	115.3
14	E	33	Very low	35	Very low	165 Å²	165	163.9 Å²	163.9	77%	0.771	83%	0.826	S	S	*	*			cis	-160.1	139.8	19.5	-111.5	152.8	-146.9	0	0	107.8	E16	E14-E16 PolarHBondContact O-N 2.91Å
15	E	33.1	Very low	34.9	Very low	197 Å²	197	162.5 Å²	162.5	92%	0.921	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-63.8	118.6	167.3	-66.2	175.8	153.1	0	0	110
16	E	37.8	Very low	34.6	Very low	185 Å²	185	162.6 Å²	162.6	86%	0.864	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-103.9	137.5	160.1	-89.1	-160.7	157.3	0	0	110.4	E14	E14-E16 PolarHBondContact O-N 2.91Å
17	P	33.6	Very low	34.8	Very low	108 Å²	108	160.2 Å²	160.2	70%	0.701	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-78.1	148.2	-160.3	31.6	-35.8	0	0	0	112.8	R19	P17-R19 PolarHBondContact O-N 3Å
18	V	32.1	Very low	34.8	Very low	147 Å²	147	162.8 Å²	162.8	89%	0.891	82%	0.822	S	S	*	*			trans	-48.3	106.7	167.9	-179.8	0	0	0	0	110.2	R20	V18-R20 PolarHBondContact O-N 3.29Å
19	R	35.4	Very low	34.9	Very low	227 Å²	227	161.4 Å²	161.4	86%	0.857	81%	0.812	S	S	*	*			trans	-82.6	111.9	167.5	-75.4	-173	179.9	-179	3.5	109	P17 I21	P17-R19 PolarHBondContact O-N 3Å; R19-I21 PolarHBondContact O-N 3.48Å
20	R	30.7	Very low	34.9	Very low	225 Å²	225	161.3 Å²	161.3	85%	0.849	81%	0.812	S	S	*	*			trans	-42.2	127.4	162.3	-93.7	177.8	170.6	169.4	-2.2	110.2	V18 E22	V18-R20 PolarHBondContact O-N 3.29Å; R20-E22 VanDerWaalsContact C-N 3.33Å; R20-E22 PolarHBondContact O-N 3.23Å
21	I	37.7	Very low	35	Very low	173 Å²	173	161 Å²	161	89%	0.887	81%	0.81	S	S	*	*			trans	-67.7	94.9	166.9	-60.8	169.2	0	0	0	106.9	R19	R19-I21 PolarHBondContact O-N 3.48Å
22	E	34.3	Very low	35.2	Very low	170 Å²	170	165.5 Å²	165.5	79%	0.794	82%	0.82	S	S	*	*			trans	-78	117	162.2	-75.3	-175.5	171	0	0	108.3	R20 R24	R20-E22 VanDerWaalsContact C-N 3.33Å; R20-E22 PolarHBondContact O-N 3.23Å; E22-R24 PolarHBondContact O-N 3.23Å; E22-R24 VanDerWaalsContact O-N 3.11Å
23	S	31.5	Very low	35.6	Very low	114 Å²	114	167.8 Å²	167.8	80%	0.797	83%	0.826	S	S	*	*			trans	-47.5	110.9	171.5	51.4	0	0	0	0	111.4
24	R	36.3	Very low	35.7	Very low	238 Å²	238	165.3 Å²	165.3	90%	0.898	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-81.9	133	163.7	-91.3	-178.1	172.9	-175.9	-1.6	109.5	E22	E22-R24 PolarHBondContact O-N 3.23Å; E22-R24 VanDerWaalsContact O-N 3.11Å
25	P	34	Very low	36.1	Very low	121 Å²	121	165 Å²	165	79%	0.786	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-70.8	137	-176.7	-2.4	16.7	0	0	0	111.2	H27	P25-H27 PolarHBondContact O-N 3.32Å
26	L	37.4	Very low	37	Very low	167 Å²	167	161.8 Å²	161.8	87%	0.874	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-57.1	117.6	165.6	-79.6	156.7	0	0	0	109.8	L28	L26-L28 PolarHBondContact O-N 3.19Å
27	H	40.7	Very low	37.8	Very low	172 Å²	172	163.9 Å²	163.9	80%	0.796	81%	0.814	S	S	*	*			trans	-91.2	96.6	171.4	-162.9	-81.1	0	0	0	109.3	P25	P25-H27 PolarHBondContact O-N 3.32Å
28	L	33.1	Very low	39.1	Very low	165 Å²	165	164.6 Å²	164.6	86%	0.864	81%	0.811	S	S	*	*			trans	-94.3	113.7	158.8	-82.9	144.7	0	0	0	107.5	L26	L26-L28 PolarHBondContact O-N 3.19Å
29	S	36.9	Very low	41.1	Very low	87 Å²	87	164 Å²	164	61%	0.608	81%	0.807	S	S	*	*			trans	-165.2	102.3	161.8	-170.2	0	0	0	0	106
30	S	35.5	Very low	42.9	Very low	106 Å²	106	157.3 Å²	157.3	74%	0.741	78%	0.784	S	S	*	*				70	107.3	75.7	-166.8	0	0	0	0	111.8
31	D	35.2	Very low	45.2	Very low	155 Å²	155	149.5 Å²	149.5	83%	0.829	76%	0.764	S	S	*	*			trans	17	105.6	159	-74.2	-19.5	0	0	0	119
32	E	42.2	Very low	47.1	Very low	197 Å²	197	143.6 Å²	143.6	92%	0.921	75%	0.746	S	S	*	*			trans	-126.3	125.6	141.2	-84.9	-168.5	159.9	0	0	108.6
33	E	42	Very low	49.2	Very low	186 Å²	186	141 Å²	141	87%	0.869	73%	0.729	S	S	*	*			trans	-63.8	152	-167.2	-62.5	171.7	149.4	0	0	114.7	I35	E33-I35 PolarHBondContact O-N 3.42Å
34	D	37.3	Very low	51.7	Low	166 Å²	166	139.7 Å²	139.7	89%	0.888	71%	0.713	S	S	*	*			trans	-48	106.6	-179	-69.5	-55.1	0	0	0	115.6
35	I	41.2	Very low	54	Low	159 Å²	159	135 Å²	135	82%	0.815	70%	0.699	S	S	*	*			trans	-110.5	99.5	158.3	-53.5	174.9	0	0	0	108.5	E33 R37	E33-I35 PolarHBondContact O-N 3.42Å; I35-R37 PolarHBondContact O-N 2.9Å
36	K	51.8	Low	56.3	Low	129 Å²	129	131.4 Å²	131.4	56%	0.561	67%	0.67	S	S	*	*			trans	-53.2	114.3	179.1	-78	-178.5	179.9	-176.1	0	112.5	I38 S282 Y283	K36-I38 PolarHBondContact O-N 3.1Å; K36-S282 WeakPolarHBondContact CE-O 3.44Å; K36-S282 PolarHBondContact NZ-O 3.31Å; K36-Y283 WeakPolarHBondContact CB-OH 3.49Å; K36-Y283 PolarHBondContact O-OH 3.41Å
37	R	54.2	Low	58.6	Low	229 Å²	229	124.4 Å²	124.4	86%	0.864	63%	0.634	S	S	*	*			trans	-69.9	96.1	176.8	-77.7	-178	175.5	-179.6	0.6	115	I35 V39 Y283	I35-R37 PolarHBondContact O-N 2.9Å; R37-V39 PolarHBondContact O-N 3.02Å; R37-Y283 WeakPolarHBondContact CA-OH 3.49Å; R37-Y283 PolarHBondContact N-OH 3.49Å; R37-Y283 PolarHBondContact O-OH 2.87Å
38	I	61.5	Low	60.8	Low	124 Å²	124	120.4 Å²	120.4	64%	0.636	62%	0.616	S	S	*	*			trans	-66.1	120.6	177.8	-57.1	163	0	0	0	111.5	K36 K40 Y283	K36-I38 PolarHBondContact O-N 3.1Å; I38-K40 HydrophobicContact CG2-CG 4.3Å; I38-Y283 HydrophobicContact CG1-CE1 4.2Å; I38-Y283 PolarHBondContact N-OH 3.08Å
39	V	73.6	Confident	63.4	Low	135 Å²	135	116.9 Å²	116.9	82%	0.818	60%	0.595	S	S	*	*			trans	-82	113.4	172.2	-178	0	0	0	0	110	R37	R37-V39 PolarHBondContact O-N 3.02Å
40	K	73.8	Confident	65.9	Low	85 Å²	85	112.7 Å²	112.7	37%	0.37	57%	0.566	S	S	.	*			trans	-96.3	146	177.4	-64.4	178.3	-175	173.1	0	110.8	I38 N44 K45 E48	I38-K40 HydrophobicContact CG2-CG 4.3Å; K40-N44 HydrophobicContact CB-CB 4.39Å; K40-K45 HydrophobicContact CB-CB 4.38Å; K40-E48 WeakPolarHBondContact CD-OE2 3.38Å; K40-E48 WeakPolarHBondContact CE-OE2 3.28Å; K40-E48 IonicContact NZ-OE1 2.76Å; K40-E48 PolarHBondContact NZ-OE1 3.02Å; K40-E48 IonicContact NZ-OE2 3.72Å; K40-E48 PolarHBondContact NZ-OE2 2.75Å
41	S	78.9	Confident	68.5	Low	61 Å²	61	111.8 Å²	111.8	43%	0.427	55%	0.55	S	S	.	*			trans	-58.2	153	173.7	73.9	0	0	0	0	110.6	R43 N44 K45	S41-R43 VanDerWaalsContact C-N 3.27Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-N44 PolarHBondContact O-N 3.46Å; S41-N44 WeakPolarHBondContact OG-CB 3.45Å; S41-N44 PolarHBondContact OG-N 2.94Å; S41-N44 VanDerWaalsContact OG-N 3.14Å; S41-N44 PolarHBondContact OG-ND2 3.26Å; S41-K45 WeakPolarHBondContact O-CB 3.49Å; S41-K45 PolarHBondContact O-N 3.42Å
42	G	77.5	Confident	71	Confident	49 Å²	49	107 Å²	107	51%	0.505	53%	0.529	S	S	.	.	H	α-helix	trans	-51.6	-46.6	179.9	0	0	0	0	0	112.6	K45 R46	G42-K45 PolarHBondContact O-N 3.43Å; G42-R46 PolarHBondContact O-N 2.97Å; G42-R46 VanDerWaalsContact O-N 3.08Å
43	R	79.7	Confident	73.3	Confident	115 Å²	115	98.4 Å²	98.4	43%	0.434	49%	0.489	S	S	.	.	H	α-helix	trans	-57	-52.7	172.6	179.7	-178.1	164.5	111	-5.9	112.2	S41 K45 R46 C47 D88	S41-R43 VanDerWaalsContact C-N 3.27Å; S41-R43 PolarHBondContact O-N 2.91Å; R43-K45 VanDerWaalsContact C-N 3.32Å; R43-K45 PolarHBondContact O-N 3.19Å; R43-R46 PolarHBondContact O-N 2.96Å; R43-C47 PolarHBondContact O-N 3.09Å; R43-C47 PolarHBondContact O-SG 3.06Å; R43-D88 HydrophobicContact CB-CB 4.43Å; R43-D88 WeakPolarHBondContact CD-O 3.44Å; R43-D88 HydrophobicContact CG-CB 4.48Å; R43-D88 PolarHBondContact NH1-O 3.28Å
44	N	82.7	Confident	75.6	Confident	88 Å²	88	90.6 Å²	90.6	47%	0.471	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-36.8	-177.8	-72	-4.9	0	0	0	112.2	K40 S41 C47 E48	K40-N44 HydrophobicContact CB-CB 4.39Å; S41-N44 PolarHBondContact O-N 3.46Å; S41-N44 WeakPolarHBondContact OG-CB 3.45Å; S41-N44 PolarHBondContact OG-N 2.94Å; S41-N44 VanDerWaalsContact OG-N 3.14Å; S41-N44 PolarHBondContact OG-ND2 3.26Å; N44-C47 PolarHBondContact O-N 2.86Å; N44-E48 VanDerWaalsContact O-CB 3.26Å; N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 3.18Å
45	K	84.4	Confident	78.1	Confident	139 Å²	139	89.5 Å²	89.5	60%	0.604	44%	0.44	S	S	*	.	H	α-helix	trans	-63.5	-41.6	176.4	-170.9	176.1	179	178.5	0	111.2	K40 S41 G42 R43 E49	K40-K45 HydrophobicContact CB-CB 4.38Å; S41-K45 WeakPolarHBondContact O-CB 3.49Å; S41-K45 PolarHBondContact O-N 3.42Å; G42-K45 PolarHBondContact O-N 3.43Å; R43-K45 VanDerWaalsContact C-N 3.32Å; R43-K45 PolarHBondContact O-N 3.19Å; K45-E49 WeakPolarHBondContact O-CB 3.14Å; K45-E49 PolarHBondContact O-N 3.47Å
46	R	82.8	Confident	80.4	Confident	46 Å²	46	85.7 Å²	85.7	17%	0.174	42%	0.421	C	S	.	.	H	α-helix	trans	-73.9	-38.6	175.4	-66.8	-160.7	-166.9	112.9	2.6	113.1	G42 R43 E48 E49 M50 M86 D88	G42-R46 PolarHBondContact O-N 2.97Å; G42-R46 VanDerWaalsContact O-N 3.08Å; R43-R46 PolarHBondContact O-N 2.96Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 2.96Å; R46-E49 PolarHBondContact O-N 2.95Å; R46-M50 WeakPolarHBondContact O-CG 3.42Å; R46-M50 PolarHBondContact O-N 3.3Å; R46-M86 VanDerWaalsContact NH2-CE 3.28Å; R46-M86 VanDerWaalsContact NH2-CG 3.3Å; R46-D88 WeakPolarHBondContact CD-OD2 3.49Å; R46-D88 IonicContact CZ-OD2 3.78Å; R46-D88 IonicContact NE-OD2 2.91Å; R46-D88 IonicContact NH1-OD1 2.65Å; R46-D88 PolarHBondContact NH1-OD1 3.35Å; R46-D88 IonicContact NH1-OD2 3.21Å; R46-D88 PolarHBondContact NH1-OD2 3.27Å
47	C	85.1	Confident	82.3	Confident	19 Å²	19	79.5 Å²	79.5	13%	0.128	40%	0.395	C	S	.	.	H	α-helix	trans	-56.2	-46.5	171.8	-70.1	0	0	0	0	111.1	R43 N44 M50 Q51 F89	R43-C47 PolarHBondContact O-N 3.09Å; R43-C47 PolarHBondContact O-SG 3.06Å; N44-C47 PolarHBondContact O-N 2.86Å; C47-M50 PolarHBondContact O-N 3.16Å; C47-Q51 WeakPolarHBondContact O-CB 3.48Å; C47-Q51 WeakPolarHBondContact O-CG 3.27Å; C47-Q51 PolarHBondContact O-N 2.91Å; C47-F89 WeakPolarHBondContact SG-CE1 3.41Å; C47-F89 WeakPolarHBondContact SG-CZ 3.32Å
48	E	86.9	Confident	84	Confident	88 Å²	88	71 Å²	71	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-69.9	-37.9	179.7	-170.3	178.7	-149.3	0	0	111.9	K40 N44 R46 Q51 S52	K40-E48 WeakPolarHBondContact CD-OE2 3.38Å; K40-E48 WeakPolarHBondContact CE-OE2 3.28Å; K40-E48 IonicContact NZ-OE1 2.76Å; K40-E48 PolarHBondContact NZ-OE1 3.02Å; K40-E48 IonicContact NZ-OE2 3.72Å; K40-E48 PolarHBondContact NZ-OE2 2.75Å; N44-E48 VanDerWaalsContact O-CB 3.26Å; N44-E48 WeakPolarHBondContact O-CB 3.42Å; N44-E48 PolarHBondContact O-N 3.18Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 2.96Å; E48-Q51 PolarHBondContact O-N 3.48Å; E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 3.1Å
49	E	88.9	Confident	85.4	Confident	91 Å²	91	68.8 Å²	68.8	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-47.4	171.3	-169.5	176.8	-177.6	0	0	110.5	K45 R46 S52 I53 V79	K45-E49 WeakPolarHBondContact O-CB 3.14Å; K45-E49 PolarHBondContact O-N 3.47Å; R46-E49 PolarHBondContact O-N 2.95Å; E49-S52 PolarHBondContact O-N 3.03Å; E49-S52 PolarHBondContact O-OG 3.37Å; E49-I53 HydrophobicContact CG-CD1 4.33Å; E49-I53 WeakPolarHBondContact O-CG1 3.46Å; E49-I53 PolarHBondContact O-N 3.48Å; E49-V79 HydrophobicContact CB-CG1 4.44Å; E49-V79 HydrophobicContact CG-CG1 4.3Å; E49-V79 HydrophobicContact CG-CG2 4.23Å
50	M	88.4	Confident	86.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-46.6	174.8	-71.9	177.6	71.5	0	0	112.2	R46 C47 S52 I53 I54 L76 V79 Y80 F89 F95 Y96	R46-M50 WeakPolarHBondContact O-CG 3.42Å; R46-M50 PolarHBondContact O-N 3.3Å; C47-M50 PolarHBondContact O-N 3.16Å; M50-S52 VanDerWaalsContact C-N 3.31Å; M50-S52 PolarHBondContact O-N 3.07Å; M50-I53 PolarHBondContact O-N 2.89Å; M50-I54 VanDerWaalsContact O-CG1 3.25Å; M50-I54 WeakPolarHBondContact O-CG1 3.46Å; M50-I54 PolarHBondContact O-N 2.85Å; M50-L76 HydrophobicContact CB-CD1 4.21Å; M50-L76 HydrophobicContact CE-CD1 4.4Å; M50-L76 HydrophobicContact CG-CD1 4.32Å; M50-V79 HydrophobicContact CG-CB 4.26Å; M50-V79 HydrophobicContact CG-CG1 3.53Å; M50-V79 HydrophobicContact SD-CG1 4.46Å; M50-Y80 HydrophobicContact CE-CD2 3.66Å; M50-Y80 HydrophobicContact CE-CG 4.33Å; M50-Y80 HydrophobicContact SD-CD2 4.4Å; M50-F89 HydrophobicContact SD-CE2 4.11Å; M50-F89 HydrophobicContact SD-CZ 4.35Å; M50-F95 HydrophobicContact CB-CE2 4.16Å; M50-F95 HydrophobicContact CE-CE2 4.1Å; M50-Y96 HydrophobicContact CE-CD2 3.32Å; M50-Y96 HydrophobicContact CE-CE2 3.79Å; M50-Y96 HydrophobicContact CE-CG 4.04Å
51	Q	89.6	Confident	86.8	Confident	86 Å²	86	61.2 Å²	61.2	40%	0.402	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-35.8	177.3	-75.3	-179.1	-2.2	0	0	112.2	C47 E48 I54 K55	C47-Q51 WeakPolarHBondContact O-CB 3.48Å; C47-Q51 WeakPolarHBondContact O-CG 3.27Å; C47-Q51 PolarHBondContact O-N 2.91Å; E48-Q51 PolarHBondContact O-N 3.48Å; Q51-I54 PolarHBondContact O-N 3.5Å; Q51-K55 WeakPolarHBondContact O-CG 3.37Å; Q51-K55 PolarHBondContact O-N 2.9Å
52	S	89.7	Confident	87.2	Confident	54 Å²	54	66.4 Å²	66.4	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-41.4	175.4	80	0	0	0	0	111.8	E48 E49 M50 K55 N56	E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 3.1Å; E49-S52 PolarHBondContact O-N 3.03Å; E49-S52 PolarHBondContact O-OG 3.37Å; M50-S52 VanDerWaalsContact C-N 3.31Å; M50-S52 PolarHBondContact O-N 3.07Å; S52-K55 PolarHBondContact O-N 3.13Å; S52-N56 PolarHBondContact O-N 3.03Å
53	I	90	Very high	87.6	Confident	17 Å²	17	70.2 Å²	70.2	9%	0.087	34%	0.335	C	S	.	.	H	α-helix	trans	-66.6	-39.2	175.3	-63.1	164.5	0	0	0	110	E49 M50 N56 L57 D72 N75 L76 V79	E49-I53 HydrophobicContact CG-CD1 4.33Å; E49-I53 WeakPolarHBondContact O-CG1 3.46Å; E49-I53 PolarHBondContact O-N 3.48Å; M50-I53 PolarHBondContact O-N 2.89Å; I53-N56 PolarHBondContact O-N 3.16Å; I53-L57 VanDerWaalsContact O-CB 3.22Å; I53-L57 WeakPolarHBondContact O-CB 3.36Å; I53-L57 PolarHBondContact O-N 3.02Å; I53-D72 HydrophobicContact CG2-CB 4.19Å; I53-D72 WeakPolarHBondContact CG2-O 3.28Å; I53-N75 HydrophobicContact CD1-CB 4.34Å; I53-L76 HydrophobicContact CB-CD1 4.34Å; I53-L76 HydrophobicContact CG2-CB 3.81Å; I53-L76 HydrophobicContact CG2-CD1 4.25Å; I53-V79 HydrophobicContact CD1-CB 4.42Å; I53-V79 HydrophobicContact CD1-CG2 3.74Å
54	I	90.8	Very high	87.7	Confident	22 Å²	22	70.1 Å²	70.1	11%	0.113	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-39.5	175.5	-67.5	166.9	0	0	0	111.2	M50 Q51 L57 N58 L76 F95 C99	M50-I54 VanDerWaalsContact O-CG1 3.25Å; M50-I54 WeakPolarHBondContact O-CG1 3.46Å; M50-I54 PolarHBondContact O-N 2.85Å; Q51-I54 PolarHBondContact O-N 3.5Å; I54-L57 PolarHBondContact O-N 3.13Å; I54-N58 WeakPolarHBondContact O-CB 3.39Å; I54-N58 PolarHBondContact O-N 3.13Å; I54-L76 HydrophobicContact CD1-CD1 4.36Å; I54-L76 HydrophobicContact CG1-CD1 3.98Å; I54-L76 HydrophobicContact CG1-CD2 4.14Å; I54-F95 HydrophobicContact CD1-CD2 3.57Å; I54-F95 HydrophobicContact CD1-CE2 3.99Å; I54-C99 HydrophobicContact CD1-CB 4.25Å; I54-C99 HydrophobicContact CG1-CB 4.31Å; I54-C99 HydrophobicContact CG2-CB 4.42Å
55	K	89.8	Confident	87.8	Confident	144 Å²	144	68.1 Å²	68.1	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-45.3	173.6	-75.5	177.3	-177.8	178.6	0	111.6	Q51 S52 N58 N59	Q51-K55 WeakPolarHBondContact O-CG 3.37Å; Q51-K55 PolarHBondContact O-N 2.9Å; S52-K55 PolarHBondContact O-N 3.13Å; K55-N58 PolarHBondContact O-N 3.45Å; K55-N59 PolarHBondContact O-N 2.9Å
56	N	89.2	Confident	87.9	Confident	78 Å²	78	61.6 Å²	61.6	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-42.4	175.4	-71.7	-12.2	0	0	0	111.8	S52 I53 N58 N59 H60	S52-N56 PolarHBondContact O-N 3.03Å; I53-N56 PolarHBondContact O-N 3.16Å; N56-N58 VanDerWaalsContact C-N 3.34Å; N56-N58 PolarHBondContact O-N 3.25Å; N56-N59 WeakPolarHBondContact O-CB 3.43Å; N56-N59 PolarHBondContact O-N 2.84Å; N56-N59 VanDerWaalsContact O-N 3.13Å; N56-H60 PolarHBondContact O-N 3.38Å; N56-H60 PolarHBondContact O-ND1 3.1Å
57	L	91.6	Very high	88	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-40.3	177.1	-172.8	148.9	0	0	0	111.5	I53 I54 H60 K61 D72 F73 L103	I53-L57 VanDerWaalsContact O-CB 3.22Å; I53-L57 WeakPolarHBondContact O-CB 3.36Å; I53-L57 PolarHBondContact O-N 3.02Å; I54-L57 PolarHBondContact O-N 3.13Å; L57-H60 PolarHBondContact O-N 3.22Å; L57-K61 HydrophobicContact CD2-CD 3.86Å; L57-K61 HydrophobicContact CD2-CG 4.24Å; L57-K61 WeakPolarHBondContact O-CB 3.44Å; L57-K61 WeakPolarHBondContact O-CG 3.4Å; L57-K61 PolarHBondContact O-N 2.96Å; L57-D72 HydrophobicContact CB-CB 4.07Å; L57-D72 HydrophobicContact CD1-CB 4.11Å; L57-D72 HydrophobicContact CG-CB 4.38Å; L57-D72 PolarHBondContact N-OD2 3.24Å; L57-F73 HydrophobicContact CD1-CB 4.47Å; L57-L103 HydrophobicContact CD2-CD1 4.44Å
58	N	90.2	Very high	88.2	Confident	49 Å²	49	64.2 Å²	64.2	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-68.4	-34.9	174.1	-78.4	-14.9	0	0	0	112.6	I54 K55 N56 K61 K62	I54-N58 WeakPolarHBondContact O-CB 3.39Å; I54-N58 PolarHBondContact O-N 3.13Å; K55-N58 PolarHBondContact O-N 3.45Å; N56-N58 VanDerWaalsContact C-N 3.34Å; N56-N58 PolarHBondContact O-N 3.25Å; N58-K61 PolarHBondContact O-N 2.88Å; N58-K62 WeakPolarHBondContact O-CG 3.43Å; N58-K62 PolarHBondContact O-N 3.33Å
59	N	89.4	Confident	88.3	Confident	79 Å²	79	60 Å²	60	42%	0.422	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-43.2	171.5	-73.2	-16.8	0	0	0	111.6	K55 N56 K62 I63	K55-N59 PolarHBondContact O-N 2.9Å; N56-N59 WeakPolarHBondContact O-CB 3.43Å; N56-N59 PolarHBondContact O-N 2.84Å; N56-N59 VanDerWaalsContact O-N 3.13Å; N59-K62 WeakPolarHBondContact O-CB 3.35Å; N59-K62 PolarHBondContact O-N 3.46Å; N59-I63 WeakPolarHBondContact O-CG1 3.34Å; N59-I63 PolarHBondContact O-N 3.46Å
60	H	89	Confident	88.3	Confident	41 Å²	41	56.5 Å²	56.5	19%	0.19	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-33.3	175.9	-63.8	154.5	0	0	0	112.6	N56 L57 I63 K64 D65 N68 I69 D72	N56-H60 PolarHBondContact O-N 3.38Å; N56-H60 PolarHBondContact O-ND1 3.1Å; L57-H60 PolarHBondContact O-N 3.22Å; H60-I63 PolarHBondContact O-N 3.35Å; H60-K64 WeakPolarHBondContact O-CA 3.37Å; H60-K64 PolarHBondContact O-N 3.12Å; H60-D65 PolarHBondContact O-N 3.07Å; H60-D65 VanDerWaalsContact O-N 3.07Å; H60-N68 WeakPolarHBondContact ND1-CB 3.34Å; H60-I69 HydrophobicContact CB-CG1 3.68Å; H60-D72 IonicContact CE1-OD2 3.79Å; H60-D72 PolarHBondContact CE1-OD2 2.82Å; H60-D72 IonicContact CG-OD2 3.76Å; H60-D72 IonicContact ND1-OD2 2.86Å; H60-D72 PolarHBondContact ND1-OD2 3.43Å
61	K	87.8	Confident	88.4	Confident	20 Å²	20	60.4 Å²	60.4	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-45.8	168	-79.7	176	174.3	171.4	0	111.1	L57 N58 K64 I69 F106	L57-K61 HydrophobicContact CD2-CD 3.86Å; L57-K61 HydrophobicContact CD2-CG 4.24Å; L57-K61 WeakPolarHBondContact O-CB 3.44Å; L57-K61 WeakPolarHBondContact O-CG 3.4Å; L57-K61 PolarHBondContact O-N 2.96Å; N58-K61 PolarHBondContact O-N 2.88Å; K61-K64 PolarHBondContact O-N 3.07Å; K61-I69 HydrophobicContact CG-CD1 4.32Å; K61-F106 HydrophobicContact CB-CE2 4.29Å; K61-F106 HydrophobicContact CB-CZ 4.37Å; K61-F106 HydrophobicContact CG-CD1 4.14Å; K61-F106 HydrophobicContact CG-CD2 4.43Å; K61-F106 HydrophobicContact CG-CE1 4.26Å; K61-F106 HydrophobicContact CG-CG 4.22Å; K61-F106 HydrophobicContact CG-CZ 4.45Å
62	K	87.8	Confident	88.5	Confident	170 Å²	170	57.1 Å²	57.1	74%	0.739	29%	0.289	S	S	*	.	H	α-helix	trans	-63.6	-41.8	177.8	-72.9	174.1	-177.3	178.9	0	112.6	N58 N59 K64	N58-K62 WeakPolarHBondContact O-CG 3.43Å; N58-K62 PolarHBondContact O-N 3.33Å; N59-K62 WeakPolarHBondContact O-CB 3.35Å; N59-K62 PolarHBondContact O-N 3.46Å; K62-K64 VanDerWaalsContact C-N 3.26Å; K62-K64 PolarHBondContact O-N 3.28Å
63	I	85.3	Confident	88.6	Confident	129 Å²	129	55 Å²	55	66%	0.662	27%	0.273	S	S	*	.	H	α-helix	trans	-79.7	-9.3	179.8	-60	167.4	0	0	0	111.9	N59 H60 D65	N59-I63 WeakPolarHBondContact O-CG1 3.34Å; N59-I63 PolarHBondContact O-N 3.46Å; H60-I63 PolarHBondContact O-N 3.35Å; I63-D65 VanDerWaalsContact C-N 3.25Å; I63-D65 PolarHBondContact O-N 2.85Å
64	K	82.2	Confident	88.6	Confident	112 Å²	112	57.9 Å²	57.9	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	33.9	-173.8	-59.2	-178.7	178.5	177.4	0	113.4	H60 K61 K62 M66	H60-K64 WeakPolarHBondContact O-CA 3.37Å; H60-K64 PolarHBondContact O-N 3.12Å; K61-K64 PolarHBondContact O-N 3.07Å; K62-K64 VanDerWaalsContact C-N 3.26Å; K62-K64 PolarHBondContact O-N 3.28Å; K64-M66 HydrophobicContact CB-CE 4.4Å; K64-M66 PolarHBondContact O-N 3.11Å; K64-M66 VanDerWaalsContact O-N 3.12Å
65	D	85.8	Confident	88.6	Confident	47 Å²	47	59.8 Å²	59.8	25%	0.251	30%	0.297	S	S	.	.			trans	-83.7	86.7	176.5	-170.1	-19.5	0	0	0	111	H60 I63 S67 N68 I69	H60-D65 PolarHBondContact O-N 3.07Å; H60-D65 VanDerWaalsContact O-N 3.07Å; I63-D65 VanDerWaalsContact C-N 3.25Å; I63-D65 PolarHBondContact O-N 2.85Å; D65-S67 PolarHBondContact O-N 3.37Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 3.48Å; D65-N68 HydrophobicContact CB-CB 4.48Å; D65-N68 PolarHBondContact O-N 2.93Å; D65-N68 PolarHBondContact OD1-N 2.83Å; D65-N68 PolarHBondContact OD2-ND2 2.86Å; D65-I69 VanDerWaalsContact O-CG1 3.28Å; D65-I69 WeakPolarHBondContact O-CG1 3.25Å; D65-I69 PolarHBondContact O-N 3.18Å; D65-I69 VanDerWaalsContact O-N 3.11Å
66	M	85.8	Confident	88.7	Confident	2 Å²	2	53 Å²	53	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-25.2	-175.5	-60.9	-60.3	167.7	0	0	113.7	K64 I69 I70 F106 M117 A121 S124 L125	K64-M66 HydrophobicContact CB-CE 4.4Å; K64-M66 PolarHBondContact O-N 3.11Å; K64-M66 VanDerWaalsContact O-N 3.12Å; M66-I69 HydrophobicContact SD-CD1 4.08Å; M66-I70 WeakPolarHBondContact O-CG1 3.22Å; M66-F106 HydrophobicContact CE-CE1 3.73Å; M66-F106 HydrophobicContact CE-CZ 3.8Å; M66-F106 HydrophobicContact SD-CE1 4.05Å; M66-M117 HydrophobicContact CE-CE 4.37Å; M66-M117 HydrophobicContact CE-SD 3.64Å; M66-M117 HydrophobicContact CG-SD 4.19Å; M66-A121 HydrophobicContact CG-CB 4.31Å; M66-S124 WeakPolarHBondContact CB-OG 3.45Å; M66-L125 HydrophobicContact CE-CD1 3.86Å; M66-L125 HydrophobicContact CG-CB 4.45Å; M66-L125 HydrophobicContact CG-CD1 4.42Å; M66-L125 HydrophobicContact SD-CD1 3.66Å
67	S	85.7	Confident	88.7	Confident	63 Å²	63	50.1 Å²	50.1	44%	0.441	25%	0.252	S	S	.	.	H	α-helix	trans	-68.4	-50.2	176.3	12.4	0	0	0	0	111.3	D65 I70 I71	D65-S67 PolarHBondContact O-N 3.37Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 3.48Å; S67-I70 PolarHBondContact O-N 3.13Å; S67-I71 PolarHBondContact O-N 2.96Å
68	N	88	Confident	88.5	Confident	56 Å²	56	55.8 Å²	55.8	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-73.9	-29.4	-176.5	-71.9	-31.4	0	0	0	112.3	H60 D65 I70 I71 D72	H60-N68 WeakPolarHBondContact ND1-CB 3.34Å; D65-N68 HydrophobicContact CB-CB 4.48Å; D65-N68 PolarHBondContact O-N 2.93Å; D65-N68 PolarHBondContact OD1-N 2.83Å; D65-N68 PolarHBondContact OD2-ND2 2.86Å; N68-I70 VanDerWaalsContact C-N 3.26Å; N68-I70 PolarHBondContact O-N 3.24Å; N68-I71 PolarHBondContact O-N 3.42Å; N68-I71 VanDerWaalsContact O-N 3.12Å; N68-D72 PolarHBondContact O-N 2.83Å
69	I	90.3	Very high	88.4	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-38.3	171.1	-64.9	167.9	0	0	0	111.5	H60 K61 D65 M66 F73 L103 F106 L128	H60-I69 HydrophobicContact CB-CG1 3.68Å; K61-I69 HydrophobicContact CG-CD1 4.32Å; D65-I69 VanDerWaalsContact O-CG1 3.28Å; D65-I69 WeakPolarHBondContact O-CG1 3.25Å; D65-I69 PolarHBondContact O-N 3.18Å; D65-I69 VanDerWaalsContact O-N 3.11Å; M66-I69 HydrophobicContact SD-CD1 4.08Å; I69-F73 WeakPolarHBondContact O-CB 3.15Å; I69-F73 PolarHBondContact O-N 3.35Å; I69-L103 HydrophobicContact CG2-CD1 3.82Å; I69-F106 HydrophobicContact CD1-CE1 3.68Å; I69-F106 HydrophobicContact CD1-CZ 4.25Å; I69-L128 HydrophobicContact CB-CD2 4.27Å; I69-L128 HydrophobicContact CG2-CD1 3.96Å; I69-L128 HydrophobicContact CG2-CD2 3.57Å; I69-L128 HydrophobicContact CG2-CG 4.44Å
70	I	88.5	Confident	88.4	Confident	18 Å²	18	51.3 Å²	51.3	9%	0.092	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-41.3	177	-65.3	166.3	0	0	0	111.1	M66 S67 N68 Q74 S124 T127 L128	M66-I70 WeakPolarHBondContact O-CG1 3.22Å; S67-I70 PolarHBondContact O-N 3.13Å; N68-I70 VanDerWaalsContact C-N 3.26Å; N68-I70 PolarHBondContact O-N 3.24Å; I70-Q74 WeakPolarHBondContact O-CG 3.44Å; I70-Q74 PolarHBondContact O-N 3.14Å; I70-S124 VanDerWaalsContact CD1-O 3.32Å; I70-S124 WeakPolarHBondContact CD1-O 3.35Å; I70-T127 HydrophobicContact CD1-CG2 4.44Å; I70-L128 HydrophobicContact CD1-CB 4.31Å; I70-L128 HydrophobicContact CG1-CB 3.83Å; I70-L128 HydrophobicContact CG1-CD1 3.92Å; I70-L128 HydrophobicContact CG1-CG 4.37Å
71	I	90.2	Very high	88.3	Confident	82 Å²	82	54.2 Å²	54.2	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-47.9	-178.9	-63.1	170.8	0	0	0	109.7	S67 N68 F73 Q74 N75	S67-I71 PolarHBondContact O-N 2.96Å; N68-I71 PolarHBondContact O-N 3.42Å; N68-I71 VanDerWaalsContact O-N 3.12Å; I71-F73 PolarHBondContact O-N 2.95Å; I71-Q74 PolarHBondContact O-N 3.3Å; I71-N75 WeakPolarHBondContact O-CB 3.36Å; I71-N75 VanDerWaalsContact O-CG 3.29Å; I71-N75 PolarHBondContact O-N 3Å; I71-N75 PolarHBondContact O-ND2 3.38Å
72	D	90.9	Very high	88.2	Confident	16 Å²	16	59.3 Å²	59.3	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-41.3	177.3	-72.1	-15.3	0	0	0	111.7	I53 L57 H60 N68 Q74 N75 L76	I53-D72 HydrophobicContact CG2-CB 4.19Å; I53-D72 WeakPolarHBondContact CG2-O 3.28Å; L57-D72 HydrophobicContact CB-CB 4.07Å; L57-D72 HydrophobicContact CD1-CB 4.11Å; L57-D72 HydrophobicContact CG-CB 4.38Å; L57-D72 PolarHBondContact N-OD2 3.24Å; H60-D72 IonicContact CE1-OD2 3.79Å; H60-D72 PolarHBondContact CE1-OD2 2.82Å; H60-D72 IonicContact CG-OD2 3.76Å; H60-D72 IonicContact ND1-OD2 2.86Å; H60-D72 PolarHBondContact ND1-OD2 3.43Å; N68-D72 PolarHBondContact O-N 2.83Å; D72-Q74 VanDerWaalsContact C-N 3.34Å; D72-Q74 PolarHBondContact O-N 3.21Å; D72-N75 PolarHBondContact O-N 3.1Å; D72-L76 WeakPolarHBondContact O-CB 3.25Å; D72-L76 PolarHBondContact O-N 3.44Å
73	F	91.6	Very high	88	Confident	11 Å²	11	51.2 Å²	51.2	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-41.3	175.1	-178.8	-108.3	0	0	0	111.7	L57 I69 I71 L76 V77 L103 R131 V132 Y135	L57-F73 HydrophobicContact CD1-CB 4.47Å; I69-F73 WeakPolarHBondContact O-CB 3.15Å; I69-F73 PolarHBondContact O-N 3.35Å; I71-F73 PolarHBondContact O-N 2.95Å; F73-L76 PolarHBondContact O-N 3.31Å; F73-V77 HydrophobicContact CE1-CG2 4.33Å; F73-V77 HydrophobicContact CE2-CG2 4.33Å; F73-V77 HydrophobicContact CZ-CG2 4.15Å; F73-V77 VanDerWaalsContact O-CG2 3.3Å; F73-V77 WeakPolarHBondContact O-CG2 3.17Å; F73-V77 PolarHBondContact O-N 3.2Å; F73-L103 HydrophobicContact CB-CD2 4.47Å; F73-L103 HydrophobicContact CD2-CD2 3.34Å; F73-L103 HydrophobicContact CE2-CD2 3.75Å; F73-L103 HydrophobicContact CG-CD2 4.04Å; F73-R131 HydrophobicContact CE1-CB 4.38Å; F73-V132 HydrophobicContact CE1-CG2 4.35Å; F73-V132 HydrophobicContact CZ-CG2 4.29Å; F73-Y135 HydrophobicContact CE2-CD1 4.3Å; F73-Y135 AromaticContact CZ-CD1 3.86Å; F73-Y135 HydrophobicContact CZ-CD1 3.86Å; F73-Y135 AromaticContact CZ-CG 3.86Å; F73-Y135 HydrophobicContact CZ-CG 3.86Å
74	Q	91	Very high	87.8	Confident	77 Å²	77	48.7 Å²	48.7	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-67.4	-38.8	175.3	-74.3	-170.1	-70.5	0	0	113	I70 I71 D72 K78 R131	I70-Q74 WeakPolarHBondContact O-CG 3.44Å; I70-Q74 PolarHBondContact O-N 3.14Å; I71-Q74 PolarHBondContact O-N 3.3Å; D72-Q74 VanDerWaalsContact C-N 3.34Å; D72-Q74 PolarHBondContact O-N 3.21Å; Q74-K78 WeakPolarHBondContact O-CG 3.23Å; Q74-K78 PolarHBondContact O-N 2.86Å; Q74-R131 VanDerWaalsContact NE2-CZ 3.34Å
75	N	90.8	Very high	87.8	Confident	62 Å²	62	50.7 Å²	50.7	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-67.7	-41.4	177	-71	-19.2	0	0	0	110.9	I53 I71 D72 V77 K78 V79	I53-N75 HydrophobicContact CD1-CB 4.34Å; I71-N75 WeakPolarHBondContact O-CB 3.36Å; I71-N75 VanDerWaalsContact O-CG 3.29Å; I71-N75 PolarHBondContact O-N 3Å; I71-N75 PolarHBondContact O-ND2 3.38Å; D72-N75 PolarHBondContact O-N 3.1Å; N75-V77 PolarHBondContact O-N 3.38Å; N75-K78 PolarHBondContact O-N 3.31Å; N75-V79 WeakPolarHBondContact O-CG2 3.35Å; N75-V79 PolarHBondContact O-N 2.9Å
76	L	90.9	Very high	87.3	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-45.3	176.2	-174.1	63.1	0	0	0	111.2	M50 I53 I54 D72 F73 V79 Y80 Y96	M50-L76 HydrophobicContact CB-CD1 4.21Å; M50-L76 HydrophobicContact CE-CD1 4.4Å; M50-L76 HydrophobicContact CG-CD1 4.32Å; I53-L76 HydrophobicContact CB-CD1 4.34Å; I53-L76 HydrophobicContact CG2-CB 3.81Å; I53-L76 HydrophobicContact CG2-CD1 4.25Å; I54-L76 HydrophobicContact CD1-CD1 4.36Å; I54-L76 HydrophobicContact CG1-CD1 3.98Å; I54-L76 HydrophobicContact CG1-CD2 4.14Å; D72-L76 WeakPolarHBondContact O-CB 3.25Å; D72-L76 PolarHBondContact O-N 3.44Å; F73-L76 PolarHBondContact O-N 3.31Å; L76-V79 PolarHBondContact O-N 3.09Å; L76-Y80 WeakPolarHBondContact O-CB 3.27Å; L76-Y80 PolarHBondContact O-N 3.09Å; L76-Y96 HydrophobicContact CD1-CD2 4.43Å; L76-Y96 HydrophobicContact CD1-CE2 4.24Å; L76-Y96 HydrophobicContact CD2-CD2 4.42Å; L76-Y96 HydrophobicContact CD2-CE2 4.06Å; L76-Y96 HydrophobicContact CG-CD2 4.4Å; L76-Y96 HydrophobicContact CG-CE2 3.83Å
77	V	88.9	Confident	86.7	Confident	18 Å²	18	61 Å²	61	11%	0.109	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175.2	172.9	0	0	0	0	111.6	F73 N75 Y80 E81 Y135	F73-V77 HydrophobicContact CE1-CG2 4.33Å; F73-V77 HydrophobicContact CE2-CG2 4.33Å; F73-V77 HydrophobicContact CZ-CG2 4.15Å; F73-V77 VanDerWaalsContact O-CG2 3.3Å; F73-V77 WeakPolarHBondContact O-CG2 3.17Å; F73-V77 PolarHBondContact O-N 3.2Å; N75-V77 PolarHBondContact O-N 3.38Å; V77-Y80 PolarHBondContact O-N 3.3Å; V77-E81 HydrophobicContact CG1-CG 4.4Å; V77-E81 WeakPolarHBondContact O-CG 3.43Å; V77-E81 PolarHBondContact O-N 3.32Å; V77-Y135 HydrophobicContact CB-CE2 4.48Å; V77-Y135 HydrophobicContact CG1-CE2 3.77Å; V77-Y135 HydrophobicContact CG2-CD2 4.27Å; V77-Y135 HydrophobicContact CG2-CE1 4.09Å; V77-Y135 HydrophobicContact CG2-CE2 3.81Å
78	K	89.3	Confident	85.9	Confident	118 Å²	118	59.2 Å²	59.2	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-40.7	177.7	-75.6	174.5	-179.3	176.7	0	113.1	Q74 N75 K82	Q74-K78 WeakPolarHBondContact O-CG 3.23Å; Q74-K78 PolarHBondContact O-N 2.86Å; N75-K78 PolarHBondContact O-N 3.31Å; K78-K82 WeakPolarHBondContact O-CG 3.49Å; K78-K82 PolarHBondContact O-N 3.19Å; K78-K82 VanDerWaalsContact O-N 3.13Å
79	V	87.9	Confident	84.9	Confident	12 Å²	12	58 Å²	58	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-40.3	177.2	177.3	0	0	0	0	109.9	E49 M50 I53 N75 L76 K82 S83	E49-V79 HydrophobicContact CB-CG1 4.44Å; E49-V79 HydrophobicContact CG-CG1 4.3Å; E49-V79 HydrophobicContact CG-CG2 4.23Å; M50-V79 HydrophobicContact CG-CB 4.26Å; M50-V79 HydrophobicContact CG-CG1 3.53Å; M50-V79 HydrophobicContact SD-CG1 4.46Å; I53-V79 HydrophobicContact CD1-CB 4.42Å; I53-V79 HydrophobicContact CD1-CG2 3.74Å; N75-V79 WeakPolarHBondContact O-CG2 3.35Å; N75-V79 PolarHBondContact O-N 2.9Å; L76-V79 PolarHBondContact O-N 3.09Å; V79-K82 PolarHBondContact O-N 3.1Å; V79-S83 PolarHBondContact O-N 3.05Å
80	Y	88.4	Confident	83.8	Confident	22 Å²	22	66.1 Å²	66.1	9%	0.086	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-47.9	175	-175.3	-109.7	0	0	0	112.1	M50 L76 V77 K82 S83 V84 Y96 F139	M50-Y80 HydrophobicContact CE-CD2 3.66Å; M50-Y80 HydrophobicContact CE-CG 4.33Å; M50-Y80 HydrophobicContact SD-CD2 4.4Å; L76-Y80 WeakPolarHBondContact O-CB 3.27Å; L76-Y80 PolarHBondContact O-N 3.09Å; V77-Y80 PolarHBondContact O-N 3.3Å; Y80-K82 VanDerWaalsContact C-N 3.31Å; Y80-K82 PolarHBondContact O-N 2.64Å; Y80-S83 WeakPolarHBondContact CA-OG 3.4Å; Y80-S83 PolarHBondContact O-N 3.06Å; Y80-S83 PolarHBondContact O-OG 2.88Å; Y80-V84 HydrophobicContact CD1-CG2 4.33Å; Y80-V84 HydrophobicContact CE1-CG2 3.92Å; Y80-V84 HydrophobicContact CE2-CG2 4.22Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.07Å; Y80-Y96 AromaticContact CD1-CE1 3.89Å; Y80-Y96 HydrophobicContact CD1-CE1 3.89Å; Y80-Y96 AromaticContact CD1-CZ 3.79Å; Y80-Y96 HydrophobicContact CD2-CD1 4.29Å; Y80-Y96 HydrophobicContact CD2-CD2 4.37Å; Y80-Y96 HydrophobicContact CD2-CE1 4.1Å; Y80-Y96 HydrophobicContact CD2-CE2 4.17Å; Y80-Y96 HydrophobicContact CD2-CG 4.42Å; Y80-Y96 AromaticContact CE1-CE1 3.96Å; Y80-Y96 HydrophobicContact CE1-CE1 3.96Å; Y80-Y96 HydrophobicContact CE2-CD1 4.17Å; Y80-Y96 HydrophobicContact CE2-CE1 4.18Å; Y80-Y96 AromaticContact CG-CE1 3.95Å; Y80-Y96 HydrophobicContact CG-CE1 3.95Å; Y80-Y96 AromaticContact CG-CE2 3.97Å; Y80-Y96 HydrophobicContact CG-CE2 3.97Å; Y80-Y96 AromaticContact CG-CZ 3.62Å; Y80-F139 HydrophobicContact CE1-CE1 4.43Å; Y80-F139 AromaticContact CE1-CZ 3.96Å; Y80-F139 HydrophobicContact CE1-CZ 3.96Å
81	E	86.9	Confident	83	Confident	103 Å²	103	67.7 Å²	67.7	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-40.7	176	-76.1	175	177.3	0	0	112.4	V77 S83 V84 Q85	V77-E81 HydrophobicContact CG1-CG 4.4Å; V77-E81 WeakPolarHBondContact O-CG 3.43Å; V77-E81 PolarHBondContact O-N 3.32Å; E81-S83 VanDerWaalsContact C-N 3.34Å; E81-V84 PolarHBondContact O-N 3.15Å; E81-Q85 WeakPolarHBondContact O-CG 3.39Å; E81-Q85 PolarHBondContact O-N 2.77Å
82	K	85.7	Confident	82.4	Confident	127 Å²	127	65.8 Å²	65.8	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-65.8	-34.8	174	-74.6	177.9	-179.8	-178.2	0	113	K78 V79 Y80 M86	K78-K82 WeakPolarHBondContact O-CG 3.49Å; K78-K82 PolarHBondContact O-N 3.19Å; K78-K82 VanDerWaalsContact O-N 3.13Å; V79-K82 PolarHBondContact O-N 3.1Å; Y80-K82 VanDerWaalsContact C-N 3.31Å; Y80-K82 PolarHBondContact O-N 2.64Å; K82-M86 WeakPolarHBondContact O-CG 3.13Å; K82-M86 PolarHBondContact O-N 3.32Å
83	S	83	Confident	81.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-70.7	-35.4	177.2	73.3	0	0	0	0	112.2	V79 Y80 E81 M86 N87 D88 F89	V79-S83 PolarHBondContact O-N 3.05Å; Y80-S83 WeakPolarHBondContact CA-OG 3.4Å; Y80-S83 PolarHBondContact O-N 3.06Å; Y80-S83 PolarHBondContact O-OG 2.88Å; E81-S83 VanDerWaalsContact C-N 3.34Å; S83-M86 PolarHBondContact O-N 3.24Å; S83-N87 PolarHBondContact O-N 3.45Å; S83-D88 PolarHBondContact O-N 3.28Å; S83-D88 VanDerWaalsContact O-N 3.11Å; S83-F89 WeakPolarHBondContact OG-CE2 3.4Å
84	V	82.9	Confident	81.2	Confident	76 Å²	76	67.4 Å²	67.4	46%	0.461	35%	0.353	S	S	.	.	H	α-helix	trans	-68.2	-42.8	173.5	175.6	0	0	0	0	110.8	Y80 E81 M86 N87	Y80-V84 HydrophobicContact CD1-CG2 4.33Å; Y80-V84 HydrophobicContact CE1-CG2 3.92Å; Y80-V84 HydrophobicContact CE2-CG2 4.22Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.07Å; E81-V84 PolarHBondContact O-N 3.15Å; V84-M86 PolarHBondContact O-N 3.21Å; V84-N87 PolarHBondContact O-N 3.05Å
85	Q	80.7	Confident	81	Confident	153 Å²	153	65.1 Å²	65.1	72%	0.715	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-23	178.7	-76.9	175.3	4.8	0	0	114.3	E81	E81-Q85 WeakPolarHBondContact O-CG 3.39Å; E81-Q85 PolarHBondContact O-N 2.77Å
86	M	75.6	Confident	80.8	Confident	120 Å²	120	62.1 Å²	62.1	59%	0.591	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	8	-174.9	-63.3	-79.8	-73.9	0	0	112.1	R46 K82 S83 V84 D88	R46-M86 VanDerWaalsContact NH2-CE 3.28Å; R46-M86 VanDerWaalsContact NH2-CG 3.3Å; K82-M86 WeakPolarHBondContact O-CG 3.13Å; K82-M86 PolarHBondContact O-N 3.32Å; S83-M86 PolarHBondContact O-N 3.24Å; V84-M86 PolarHBondContact O-N 3.21Å; M86-D88 VanDerWaalsContact C-N 3.25Å; M86-D88 PolarHBondContact O-N 3.4Å
87	N	73.4	Confident	80.5	Confident	145 Å²	145	62.1 Å²	62.1	78%	0.775	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	37.7	-176.5	-76.7	-0.7	0	0	0	113.8	S83 V84 F89	S83-N87 PolarHBondContact O-N 3.45Å; V84-N87 PolarHBondContact O-N 3.05Å; N87-F89 VanDerWaalsContact C-N 3.3Å; N87-F89 PolarHBondContact O-N 2.81Å
88	D	69.4	Low	80.3	Confident	26 Å²	26	66.9 Å²	66.9	14%	0.139	34%	0.342	C	S	.	.			trans	-72.7	-23.1	179.7	-83.8	10.8	0	0	0	113.1	R43 R46 S83 M86	R43-D88 HydrophobicContact CB-CB 4.43Å; R43-D88 WeakPolarHBondContact CD-O 3.44Å; R43-D88 HydrophobicContact CG-CB 4.48Å; R43-D88 PolarHBondContact NH1-O 3.28Å; R46-D88 WeakPolarHBondContact CD-OD2 3.49Å; R46-D88 IonicContact CZ-OD2 3.78Å; R46-D88 IonicContact NE-OD2 2.91Å; R46-D88 IonicContact NH1-OD1 2.65Å; R46-D88 PolarHBondContact NH1-OD1 3.35Å; R46-D88 IonicContact NH1-OD2 3.21Å; R46-D88 PolarHBondContact NH1-OD2 3.27Å; S83-D88 PolarHBondContact O-N 3.28Å; S83-D88 VanDerWaalsContact O-N 3.11Å; M86-D88 VanDerWaalsContact C-N 3.25Å; M86-D88 PolarHBondContact O-N 3.4Å
89	F	67.4	Low	80.2	Confident	30 Å²	30	61.4 Å²	61.4	13%	0.132	32%	0.319	C	S	.	.			trans	-129.4	121.6	-174.2	-61.9	-74.5	0	0	0	112.4	C47 M50 S83 N87 G91 P93	C47-F89 WeakPolarHBondContact SG-CE1 3.41Å; C47-F89 WeakPolarHBondContact SG-CZ 3.32Å; M50-F89 HydrophobicContact SD-CE2 4.11Å; M50-F89 HydrophobicContact SD-CZ 4.35Å; S83-F89 WeakPolarHBondContact OG-CE2 3.4Å; N87-F89 VanDerWaalsContact C-N 3.3Å; N87-F89 PolarHBondContact O-N 2.81Å; F89-G91 WeakPolarHBondContact CB-O 3.38Å; F89-G91 PolarHBondContact O-N 3.13Å; F89-P93 HydrophobicContact CD1-CG 3.69Å; F89-P93 HydrophobicContact CD2-CG 4.19Å; F89-P93 HydrophobicContact CE1-CG 3.74Å; F89-P93 HydrophobicContact CE2-CG 4.24Å; F89-P93 HydrophobicContact CG-CG 3.91Å; F89-P93 HydrophobicContact CZ-CG 4.02Å
90	D	66.1	Low	80.2	Confident	172 Å²	172	61 Å²	61	92%	0.92	32%	0.316	S	S	*	.	S	Bend	trans	-75.3	77.2	162.7	-66.6	-38.3	0	0	0	109.2
91	G	73	Confident	80.1	Confident	50 Å²	50	60.1 Å²	60.1	52%	0.515	31%	0.313	S	S	.	.	S	Bend	trans	108	-174.8	178.6	0	0	0	0	0	115	F89 P93	F89-G91 WeakPolarHBondContact CB-O 3.38Å; F89-G91 PolarHBondContact O-N 3.13Å; G91-P93 WeakPolarHBondContact O-CD 3.39Å
92	V	77.5	Confident	80.1	Confident	43 Å²	43	58.4 Å²	58.4	26%	0.261	31%	0.305	S	S	.	.			trans	-87.6	120	-176.6	-170.4	0	0	0	0	109.3	Y96 V97 F139 N142	V92-Y96 HydrophobicContact CG1-CD1 3.91Å; V92-V97 HydrophobicContact CB-CG2 4.32Å; V92-V97 HydrophobicContact CG1-CG2 3.6Å; V92-F139 HydrophobicContact CG1-CD1 4.39Å; V92-F139 HydrophobicContact CG1-CE1 4.13Å; V92-F139 HydrophobicContact CG2-CE1 4.14Å; V92-N142 WeakPolarHBondContact CG2-ND2 3.47Å
93	P	77.7	Confident	80.2	Confident	8 Å²	8	52.4 Å²	52.4	5%	0.052	28%	0.279	C	S	.	.			trans	-59.2	136.2	-178.8	-24.7	34.1	0	0	0	112.5	F89 G91 F95 Y96 V97	F89-P93 HydrophobicContact CD1-CG 3.69Å; F89-P93 HydrophobicContact CD2-CG 4.19Å; F89-P93 HydrophobicContact CE1-CG 3.74Å; F89-P93 HydrophobicContact CE2-CG 4.24Å; F89-P93 HydrophobicContact CG-CG 3.91Å; F89-P93 HydrophobicContact CZ-CG 4.02Å; G91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-F95 HydrophobicContact CB-CD1 3.87Å; P93-F95 HydrophobicContact CB-CE1 3.39Å; P93-F95 HydrophobicContact CB-CE2 4.27Å; P93-F95 HydrophobicContact CB-CG 4.48Å; P93-F95 HydrophobicContact CB-CZ 3.61Å; P93-F95 HydrophobicContact CG-CE1 4.32Å; P93-F95 HydrophobicContact CG-CZ 4.2Å; P93-F95 PolarHBondContact O-N 3.36Å; P93-Y96 VanDerWaalsContact O-CB 3.27Å; P93-Y96 WeakPolarHBondContact O-CB 3.34Å; P93-Y96 PolarHBondContact O-N 3.18Å; P93-V97 PolarHBondContact O-N 3.45Å
94	P	79.8	Confident	80.5	Confident	52 Å²	52	54.7 Å²	54.7	34%	0.338	29%	0.29	S	S	.	.	H	α-helix	trans	-53.9	-46.8	-178.4	-31.3	37.1	0	0	0	114.4	Y96 V97 R98 Y153	P94-Y96 PolarHBondContact O-N 3.3Å; P94-V97 PolarHBondContact O-N 2.72Å; P94-R98 PolarHBondContact O-N 3.32Å; P94-R98 VanDerWaalsContact O-N 3.09Å; P94-Y153 VanDerWaalsContact CA-CD1 3.4Å; P94-Y153 HydrophobicContact CB-CD1 3.46Å; P94-Y153 VanDerWaalsContact CB-CD1 3.46Å; P94-Y153 HydrophobicContact CB-CE1 4.12Å; P94-Y153 HydrophobicContact CB-CG 4.2Å; P94-Y153 HydrophobicContact CG-CD1 4.33Å
95	F	85.5	Confident	80.7	Confident	29 Å²	29	54.4 Å²	54.4	13%	0.127	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-27.4	178.1	65.7	-98.5	0	0	0	113.4	M50 I54 P93 C99	M50-F95 HydrophobicContact CB-CE2 4.16Å; M50-F95 HydrophobicContact CE-CE2 4.1Å; I54-F95 HydrophobicContact CD1-CD2 3.57Å; I54-F95 HydrophobicContact CD1-CE2 3.99Å; P93-F95 HydrophobicContact CB-CD1 3.87Å; P93-F95 HydrophobicContact CB-CE1 3.39Å; P93-F95 HydrophobicContact CB-CE2 4.27Å; P93-F95 HydrophobicContact CB-CG 4.48Å; P93-F95 HydrophobicContact CB-CZ 3.61Å; P93-F95 HydrophobicContact CG-CE1 4.32Å; P93-F95 HydrophobicContact CG-CZ 4.2Å; P93-F95 PolarHBondContact O-N 3.36Å; F95-C99 WeakPolarHBondContact O-CB 3.45Å; F95-C99 PolarHBondContact O-N 2.93Å; F95-C99 VanDerWaalsContact O-N 3.09Å
96	Y	86.4	Confident	81.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.5	-44.6	178.2	-173.1	-106.7	0	0	0	111.1	M50 L76 Y80 V92 P93 P94 R98 C99 I100 Y135 F139	M50-Y96 HydrophobicContact CE-CD2 3.32Å; M50-Y96 HydrophobicContact CE-CE2 3.79Å; M50-Y96 HydrophobicContact CE-CG 4.04Å; L76-Y96 HydrophobicContact CD1-CD2 4.43Å; L76-Y96 HydrophobicContact CD1-CE2 4.24Å; L76-Y96 HydrophobicContact CD2-CD2 4.42Å; L76-Y96 HydrophobicContact CD2-CE2 4.06Å; L76-Y96 HydrophobicContact CG-CD2 4.4Å; L76-Y96 HydrophobicContact CG-CE2 3.83Å; Y80-Y96 AromaticContact CD1-CE1 3.89Å; Y80-Y96 HydrophobicContact CD1-CE1 3.89Å; Y80-Y96 AromaticContact CD1-CZ 3.79Å; Y80-Y96 HydrophobicContact CD2-CD1 4.29Å; Y80-Y96 HydrophobicContact CD2-CD2 4.37Å; Y80-Y96 HydrophobicContact CD2-CE1 4.1Å; Y80-Y96 HydrophobicContact CD2-CE2 4.17Å; Y80-Y96 HydrophobicContact CD2-CG 4.42Å; Y80-Y96 AromaticContact CE1-CE1 3.96Å; Y80-Y96 HydrophobicContact CE1-CE1 3.96Å; Y80-Y96 HydrophobicContact CE2-CD1 4.17Å; Y80-Y96 HydrophobicContact CE2-CE1 4.18Å; Y80-Y96 AromaticContact CG-CE1 3.95Å; Y80-Y96 HydrophobicContact CG-CE1 3.95Å; Y80-Y96 AromaticContact CG-CE2 3.97Å; Y80-Y96 HydrophobicContact CG-CE2 3.97Å; Y80-Y96 AromaticContact CG-CZ 3.62Å; V92-Y96 HydrophobicContact CG1-CD1 3.91Å; P93-Y96 VanDerWaalsContact O-CB 3.27Å; P93-Y96 WeakPolarHBondContact O-CB 3.34Å; P93-Y96 PolarHBondContact O-N 3.18Å; P94-Y96 PolarHBondContact O-N 3.3Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; Y96-C99 PolarHBondContact O-N 2.89Å; Y96-I100 HydrophobicContact CD1-CD1 3.74Å; Y96-I100 HydrophobicContact CE1-CD1 3.38Å; Y96-I100 HydrophobicContact CE1-CG1 4.49Å; Y96-I100 HydrophobicContact CG-CD1 4.49Å; Y96-I100 WeakPolarHBondContact O-CG1 3.47Å; Y96-I100 PolarHBondContact O-N 3.05Å; Y96-I100 VanDerWaalsContact O-N 3.14Å; Y96-Y135 HydrophobicContact CE1-CE1 4.36Å; Y96-Y135 WeakPolarHBondContact OH-CE1 3.34Å; Y96-Y135 PolarHBondContact OH-OH 3.14Å; Y96-F139 HydrophobicContact CE1-CE1 4.47Å; Y96-F139 HydrophobicContact CE1-CZ 4.16Å
97	V	85.2	Confident	81.7	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-43.6	176.2	-177.7	0	0	0	0	110.4	V92 P93 P94 C99 I100 A101 N142 I143 F146 Y153	V92-V97 HydrophobicContact CB-CG2 4.32Å; V92-V97 HydrophobicContact CG1-CG2 3.6Å; P93-V97 PolarHBondContact O-N 3.45Å; P94-V97 PolarHBondContact O-N 2.72Å; V97-C99 PolarHBondContact O-N 3.12Å; V97-I100 PolarHBondContact O-N 2.81Å; V97-A101 PolarHBondContact O-N 3.18Å; V97-N142 HydrophobicContact CG1-CB 4.27Å; V97-N142 HydrophobicContact CG2-CB 4.27Å; V97-I143 HydrophobicContact CG1-CG1 4.3Å; V97-F146 HydrophobicContact CG1-CB 3.89Å; V97-F146 HydrophobicContact CG1-CG 4.27Å; V97-Y153 HydrophobicContact CB-CD1 4.4Å; V97-Y153 HydrophobicContact CB-CE1 3.77Å; V97-Y153 HydrophobicContact CG1-CE1 4.08Å; V97-Y153 HydrophobicContact CG2-CE1 3.94Å
98	R	85.2	Confident	82.4	Confident	117 Å²	117	39.7 Å²	39.7	44%	0.442	21%	0.213	S	C	.	.	H	α-helix	trans	-57.4	-46.9	175	-179.4	174.7	178.2	168.8	5.8	112.4	P94 Y96 I100 A101 E102 F146	P94-R98 PolarHBondContact O-N 3.32Å; P94-R98 VanDerWaalsContact O-N 3.09Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; R98-I100 VanDerWaalsContact C-N 3.31Å; R98-I100 PolarHBondContact O-N 2.94Å; R98-A101 PolarHBondContact O-N 2.96Å; R98-E102 HydrophobicContact CG-CG 4.42Å; R98-E102 WeakPolarHBondContact CG-OE1 3.21Å; R98-E102 IonicContact CZ-OE1 2.77Å; R98-E102 IonicContact NE-OE1 2.73Å; R98-E102 PolarHBondContact NE-OE1 3.04Å; R98-E102 IonicContact NH2-OE1 3.9Å; R98-E102 WeakPolarHBondContact O-CG 3.41Å; R98-E102 PolarHBondContact O-N 3Å; R98-F146 HydrophobicContact CB-CE2 3.89Å; R98-F146 HydrophobicContact CB-CZ 3.85Å; R98-F146 HydrophobicContact CG-CE2 4.25Å; R98-F146 HydrophobicContact CG-CZ 3.77Å
99	C	86.1	Confident	83.3	Confident	4 Å²	4	43 Å²	43	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-39.1	179.2	-175.8	0	0	0	0	112.4	I54 F95 Y96 V97 L103	I54-C99 HydrophobicContact CD1-CB 4.25Å; I54-C99 HydrophobicContact CG1-CB 4.31Å; I54-C99 HydrophobicContact CG2-CB 4.42Å; F95-C99 WeakPolarHBondContact O-CB 3.45Å; F95-C99 PolarHBondContact O-N 2.93Å; F95-C99 VanDerWaalsContact O-N 3.09Å; Y96-C99 PolarHBondContact O-N 2.89Å; V97-C99 PolarHBondContact O-N 3.12Å; C99-L103 VanDerWaalsContact O-CB 3.25Å; C99-L103 WeakPolarHBondContact O-CB 3.35Å; C99-L103 PolarHBondContact O-N 3.21Å
100	I	88.5	Confident	84.2	Confident	4 Å²	4	42 Å²	42	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-44.4	177.5	-66.4	170.1	0	0	0	111	Y96 V97 R98 L103 E104 Y135 F139 I143	Y96-I100 HydrophobicContact CD1-CD1 3.74Å; Y96-I100 HydrophobicContact CE1-CD1 3.38Å; Y96-I100 HydrophobicContact CE1-CG1 4.49Å; Y96-I100 HydrophobicContact CG-CD1 4.49Å; Y96-I100 WeakPolarHBondContact O-CG1 3.47Å; Y96-I100 PolarHBondContact O-N 3.05Å; Y96-I100 VanDerWaalsContact O-N 3.14Å; V97-I100 PolarHBondContact O-N 2.81Å; R98-I100 VanDerWaalsContact C-N 3.31Å; R98-I100 PolarHBondContact O-N 2.94Å; I100-L103 PolarHBondContact O-N 2.65Å; I100-E104 PolarHBondContact O-N 3.38Å; I100-Y135 HydrophobicContact CD1-CD1 4.18Å; I100-Y135 HydrophobicContact CD1-CE1 3.85Å; I100-F139 HydrophobicContact CD1-CD2 4.22Å; I100-I143 HydrophobicContact CG2-CD1 3.79Å
101	A	86.5	Confident	85.1	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-48.5	176.8	0	0	0	0	0	111.6	V97 R98 L103 E104 D105 F146	V97-A101 PolarHBondContact O-N 3.18Å; R98-A101 PolarHBondContact O-N 2.96Å; A101-L103 VanDerWaalsContact C-N 3.26Å; A101-L103 PolarHBondContact O-N 3.16Å; A101-E104 PolarHBondContact O-N 2.81Å; A101-D105 PolarHBondContact O-N 3.36Å; A101-F146 HydrophobicContact CB-CD1 4.02Å; A101-F146 HydrophobicContact CB-CE1 4.12Å
102	E	86.7	Confident	85.7	Confident	67 Å²	67	43.1 Å²	43.1	31%	0.313	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-30	176.5	-70.7	176.7	-173.3	0	0	112.6	R98 F106	R98-E102 HydrophobicContact CG-CG 4.42Å; R98-E102 WeakPolarHBondContact CG-OE1 3.21Å; R98-E102 IonicContact CZ-OE1 2.77Å; R98-E102 IonicContact NE-OE1 2.73Å; R98-E102 PolarHBondContact NE-OE1 3.04Å; R98-E102 IonicContact NH2-OE1 3.9Å; R98-E102 WeakPolarHBondContact O-CG 3.41Å; R98-E102 PolarHBondContact O-N 3Å; E102-F106 VanDerWaalsContact O-CB 3.27Å; E102-F106 WeakPolarHBondContact O-CB 3.22Å; E102-F106 PolarHBondContact O-N 3Å; E102-F106 VanDerWaalsContact O-N 3.09Å
103	L	87.9	Confident	85.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-74.4	-37.1	175.5	-175.4	65.5	0	0	0	111.7	L57 I69 F73 C99 I100 A101 V107 V132	L57-L103 HydrophobicContact CD2-CD1 4.44Å; I69-L103 HydrophobicContact CG2-CD1 3.82Å; F73-L103 HydrophobicContact CB-CD2 4.47Å; F73-L103 HydrophobicContact CD2-CD2 3.34Å; F73-L103 HydrophobicContact CE2-CD2 3.75Å; F73-L103 HydrophobicContact CG-CD2 4.04Å; C99-L103 VanDerWaalsContact O-CB 3.25Å; C99-L103 WeakPolarHBondContact O-CB 3.35Å; C99-L103 PolarHBondContact O-N 3.21Å; I100-L103 PolarHBondContact O-N 2.65Å; A101-L103 VanDerWaalsContact C-N 3.26Å; A101-L103 PolarHBondContact O-N 3.16Å; L103-V107 HydrophobicContact CD1-CG2 4.4Å; L103-V107 HydrophobicContact CG-CG2 4.48Å; L103-V107 WeakPolarHBondContact O-CB 3.42Å; L103-V107 WeakPolarHBondContact O-CG2 3.34Å; L103-V107 PolarHBondContact O-N 3.34Å; L103-V132 HydrophobicContact CD2-CG2 3.73Å; L103-V132 HydrophobicContact CG-CG2 4.07Å
104	E	88.7	Confident	86.1	Confident	47 Å²	47	50.7 Å²	50.7	22%	0.22	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-46.7	174.3	-179	171.1	-160.5	0	0	111.4	I100 A101 V107 N108 V132 T136	I100-E104 PolarHBondContact O-N 3.38Å; A101-E104 PolarHBondContact O-N 2.81Å; E104-V107 PolarHBondContact O-N 2.9Å; E104-N108 PolarHBondContact O-N 3.26Å; E104-N108 PolarHBondContact O-ND2 2.84Å; E104-V132 HydrophobicContact CB-CG1 4.45Å; E104-T136 VanDerWaalsContact OE2-CG2 3.23Å; E104-T136 WeakPolarHBondContact OE2-CG2 3.26Å
105	D	88.1	Confident	86.1	Confident	70 Å²	70	57.6 Å²	57.6	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-44.4	178.4	-65.1	-21.3	0	0	0	110.8	A101 V107 N108 D109 R147	A101-D105 PolarHBondContact O-N 3.36Å; D105-V107 VanDerWaalsContact C-N 3.33Å; D105-V107 PolarHBondContact O-N 3.04Å; D105-N108 PolarHBondContact O-N 3.42Å; D105-D109 PolarHBondContact O-N 3.36Å; D105-R147 IonicContact OD1-NH2 3.92Å; D105-R147 PolarHBondContact OD1-NH2 3.31Å; D105-R147 IonicContact OD2-NH2 3.74Å
106	F	88	Confident	85.8	Confident	38 Å²	38	63.3 Å²	63.3	17%	0.167	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-38.8	175.3	179.6	-97.9	0	0	0	113.2	K61 M66 I69 E102 S110	K61-F106 HydrophobicContact CB-CE2 4.29Å; K61-F106 HydrophobicContact CB-CZ 4.37Å; K61-F106 HydrophobicContact CG-CD1 4.14Å; K61-F106 HydrophobicContact CG-CD2 4.43Å; K61-F106 HydrophobicContact CG-CE1 4.26Å; K61-F106 HydrophobicContact CG-CG 4.22Å; K61-F106 HydrophobicContact CG-CZ 4.45Å; M66-F106 HydrophobicContact CE-CE1 3.73Å; M66-F106 HydrophobicContact CE-CZ 3.8Å; M66-F106 HydrophobicContact SD-CE1 4.05Å; I69-F106 HydrophobicContact CD1-CE1 3.68Å; I69-F106 HydrophobicContact CD1-CZ 4.25Å; E102-F106 VanDerWaalsContact O-CB 3.27Å; E102-F106 WeakPolarHBondContact O-CB 3.22Å; E102-F106 PolarHBondContact O-N 3Å; E102-F106 VanDerWaalsContact O-N 3.09Å; F106-S110 WeakPolarHBondContact O-CB 3.25Å; F106-S110 PolarHBondContact O-N 3.46Å; F106-S110 PolarHBondContact O-OG 2.88Å
107	V	88.6	Confident	84.9	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-69.7	-36.8	178	167.1	0	0	0	0	111	L103 E104 D105 W111 L128 K129 V132	L103-V107 HydrophobicContact CD1-CG2 4.4Å; L103-V107 HydrophobicContact CG-CG2 4.48Å; L103-V107 WeakPolarHBondContact O-CB 3.42Å; L103-V107 WeakPolarHBondContact O-CG2 3.34Å; L103-V107 PolarHBondContact O-N 3.34Å; E104-V107 PolarHBondContact O-N 2.9Å; D105-V107 VanDerWaalsContact C-N 3.33Å; D105-V107 PolarHBondContact O-N 3.04Å; V107-W111 VanDerWaalsContact O-CB 3.28Å; V107-W111 WeakPolarHBondContact O-CB 3.27Å; V107-W111 PolarHBondContact O-N 3.47Å; V107-L128 HydrophobicContact CG2-CD2 3.69Å; V107-L128 HydrophobicContact CG2-CG 3.85Å; V107-K129 HydrophobicContact CG1-CB 3.74Å; V107-K129 HydrophobicContact CG1-CG 3.98Å; V107-V132 HydrophobicContact CG2-CG2 4.38Å
108	N	88.2	Confident	84.7	Confident	68 Å²	68	71.2 Å²	71.2	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-67.3	-48.4	175.4	-72.2	-30	0	0	0	111.1	E104 D105 S110 W111 E112	E104-N108 PolarHBondContact O-N 3.26Å; E104-N108 PolarHBondContact O-ND2 2.84Å; D105-N108 PolarHBondContact O-N 3.42Å; N108-S110 PolarHBondContact O-N 3.28Å; N108-W111 WeakPolarHBondContact O-CB 3.43Å; N108-W111 PolarHBondContact O-N 2.8Å; N108-W111 VanDerWaalsContact O-N 3.1Å; N108-E112 PolarHBondContact O-N 3.2Å
109	D	88.1	Confident	84.6	Confident	94 Å²	94	74.5 Å²	74.5	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-42.9	176.2	-76.5	1.9	0	0	0	112.5	D105 W111 E112 K113	D105-D109 PolarHBondContact O-N 3.36Å; D109-W111 VanDerWaalsContact C-N 3.27Å; D109-W111 PolarHBondContact O-N 3Å; D109-E112 PolarHBondContact O-N 3Å; D109-K113 PolarHBondContact O-N 3.44Å
110	S	85.6	Confident	84.4	Confident	10 Å²	10	76.6 Å²	76.6	7%	0.07	37%	0.372	C	S	.	.	H	α-helix	trans	-70.7	-24.9	178.6	-61.3	0	0	0	0	112.3	F106 N108 K113 K114 L125	F106-S110 WeakPolarHBondContact O-CB 3.25Å; F106-S110 PolarHBondContact O-N 3.46Å; F106-S110 PolarHBondContact O-OG 2.88Å; N108-S110 PolarHBondContact O-N 3.28Å; S110-K113 CarbonylContact O-C 3.58Å; S110-K113 PolarHBondContact O-N 3.47Å; S110-K114 PolarHBondContact O-N 3.06Å; S110-L125 VanDerWaalsContact CB-CD1 3.41Å
111	W	85.7	Confident	84.1	Confident	83 Å²	83	77.5 Å²	77.5	31%	0.314	38%	0.38	S	S	.	.	H	α-helix	trans	-73	-33.3	174.3	-167.1	-96.6	0	0	0	112.6	V107 N108 D109 K114 L125 A126 K129	V107-W111 VanDerWaalsContact O-CB 3.28Å; V107-W111 WeakPolarHBondContact O-CB 3.27Å; V107-W111 PolarHBondContact O-N 3.47Å; N108-W111 WeakPolarHBondContact O-CB 3.43Å; N108-W111 PolarHBondContact O-N 2.8Å; N108-W111 VanDerWaalsContact O-N 3.1Å; D109-W111 VanDerWaalsContact C-N 3.27Å; D109-W111 PolarHBondContact O-N 3Å; W111-K114 WeakPolarHBondContact O-CB 3.33Å; W111-K114 WeakPolarHBondContact O-CG 3.45Å; W111-L125 HydrophobicContact CB-CD2 4.47Å; W111-L125 HydrophobicContact CD2-CD2 4.22Å; W111-L125 HydrophobicContact CE3-CD2 3.27Å; W111-L125 HydrophobicContact CE3-CG 4.03Å; W111-L125 HydrophobicContact CZ3-CD2 3.76Å; W111-L125 HydrophobicContact CZ3-CG 4.4Å; W111-A126 HydrophobicContact CH2-CB 4.26Å; W111-A126 HydrophobicContact CZ3-CB 4.06Å; W111-K129 HydrophobicContact CB-CD 4.5Å; W111-K129 HydrophobicContact CD2-CD 3.53Å; W111-K129 HydrophobicContact CE3-CB 4.42Å; W111-K129 HydrophobicContact CE3-CD 3.48Å; W111-K129 VanDerWaalsContact CE3-CD 3.48Å; W111-K129 HydrophobicContact CG-CD 3.97Å; W111-K129 HydrophobicContact CH2-CD 4.49Å; W111-K129 HydrophobicContact CZ2-CD 4.47Å; W111-K129 HydrophobicContact CZ3-CD 4.03Å
112	E	85.4	Confident	84	Confident	162 Å²	162	79.6 Å²	79.6	76%	0.757	39%	0.392	S	S	*	.	H	α-helix	trans	-66.3	-40.9	171.4	-63.5	-169.3	164.5	0	0	111.1	N108 D109 K114	N108-E112 PolarHBondContact O-N 3.2Å; D109-E112 PolarHBondContact O-N 3Å; E112-K114 VanDerWaalsContact C-N 3.27Å; E112-K114 PolarHBondContact O-N 3.5Å
113	K	82.4	Confident	84.1	Confident	113 Å²	113	84.2 Å²	84.2	49%	0.491	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	17.3	179.3	-63	177	-175.1	165.7	0	114.6	D109 S110 K115 E116	D109-K113 PolarHBondContact O-N 3.44Å; S110-K113 CarbonylContact O-C 3.58Å; S110-K113 PolarHBondContact O-N 3.47Å; K113-K115 PolarHBondContact O-N 2.79Å; K113-E116 PolarHBondContact O-N 3.2Å
114	K	81.9	Confident	84.1	Confident	97 Å²	97	84.9 Å²	84.9	42%	0.422	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-55.1	-21.1	-176.5	67.9	-177.8	178.4	-176.3	0	115.2	S110 W111 E112 E116 V122	S110-K114 PolarHBondContact O-N 3.06Å; W111-K114 WeakPolarHBondContact O-CB 3.33Å; W111-K114 WeakPolarHBondContact O-CG 3.45Å; E112-K114 VanDerWaalsContact C-N 3.27Å; E112-K114 PolarHBondContact O-N 3.5Å; K114-E116 VanDerWaalsContact C-N 3.32Å; K114-V122 WeakPolarHBondContact O-CG2 3.21Å
115	K	79.8	Confident	84.1	Confident	198 Å²	198	82.6 Å²	82.6	86%	0.861	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-74.1	-19.8	179.3	-66.5	-175.5	-179.7	178.5	0	113.4	K113	K113-K115 PolarHBondContact O-N 2.79Å
116	E	78.1	Confident	84.1	Confident	149 Å²	149	81.2 Å²	81.2	70%	0.696	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-90.4	-4	-176.1	-63.3	179.2	172	0	0	113.4	K113 K114	K113-E116 PolarHBondContact O-N 3.2Å; K114-E116 VanDerWaalsContact C-N 3.32Å
117	M	68.2	Low	84.2	Confident	39 Å²	39	81.9 Å²	81.9	19%	0.192	41%	0.411	C	S	.	.	S	Bend	trans	-105.9	150.5	-170.2	-62.4	-160.9	-68.1	0	0	113.2	M66 A121 V122 L125	M66-M117 HydrophobicContact CE-CE 4.37Å; M66-M117 HydrophobicContact CE-SD 3.64Å; M66-M117 HydrophobicContact CG-SD 4.19Å; M117-A121 HydrophobicContact CB-CB 4.04Å; M117-A121 HydrophobicContact SD-CB 4.45Å; M117-V122 HydrophobicContact CB-CG2 3.97Å; M117-L125 HydrophobicContact CE-CB 4.01Å; M117-L125 HydrophobicContact CE-CD1 3.8Å; M117-L125 HydrophobicContact CE-CD2 3.58Å; M117-L125 HydrophobicContact CE-CG 3.99Å
118	N	81.5	Confident	84.2	Confident	127 Å²	127	81.7 Å²	81.7	68%	0.679	41%	0.41	S	S	*	.			trans	-57.3	147.4	173.1	-174.7	-0.5	0	0	0	111	G120 A121 V122	N118-G120 PolarHBondContact O-N 2.77Å; N118-G120 VanDerWaalsContact O-N 3.13Å; N118-A121 HydrophobicContact CB-CB 4.31Å; N118-A121 CarbonylContact O-C 3.53Å; N118-A121 WeakPolarHBondContact O-CA 3.36Å; N118-A121 WeakPolarHBondContact O-CB 3.49Å; N118-A121 PolarHBondContact O-N 3.41Å; N118-V122 WeakPolarHBondContact O-CG2 3.39Å; N118-V122 PolarHBondContact O-N 2.93Å
119	K	82.6	Confident	84.3	Confident	186 Å²	186	81.2 Å²	81.2	81%	0.809	40%	0.404	S	S	*	.	H	α-helix	trans	-51.3	-38.7	177.6	-69.6	-177.8	-179.7	177.3	0	112.7	V122 K123	K119-V122 PolarHBondContact O-N 3.27Å; K119-K123 PolarHBondContact O-N 3.07Å; K119-K123 VanDerWaalsContact O-N 3.13Å
120	G	81.4	Confident	84.4	Confident	49 Å²	49	82.7 Å²	82.7	51%	0.505	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-48.3	173.4	0	0	0	0	0	112.1	N118 V122 K123 S124	N118-G120 PolarHBondContact O-N 2.77Å; N118-G120 VanDerWaalsContact O-N 3.13Å; G120-V122 VanDerWaalsContact C-N 3.34Å; G120-V122 PolarHBondContact O-N 2.72Å; G120-K123 PolarHBondContact O-N 2.96Å; G120-S124 PolarHBondContact O-N 3.3Å; G120-S124 PolarHBondContact O-OG 2.85Å; G120-S124 VanDerWaalsContact O-OG 3.05Å
121	A	82.1	Confident	84.4	Confident	22 Å²	22	86.6 Å²	86.6	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-62.9	-36.5	177.6	0	0	0	0	0	112.7	M66 M117 N118 S124 L125	M66-A121 HydrophobicContact CG-CB 4.31Å; M117-A121 HydrophobicContact CB-CB 4.04Å; M117-A121 HydrophobicContact SD-CB 4.45Å; N118-A121 HydrophobicContact CB-CB 4.31Å; N118-A121 CarbonylContact O-C 3.53Å; N118-A121 WeakPolarHBondContact O-CA 3.36Å; N118-A121 WeakPolarHBondContact O-CB 3.49Å; N118-A121 PolarHBondContact O-N 3.41Å; A121-S124 VanDerWaalsContact C-OG 3.29Å; A121-S124 WeakPolarHBondContact CA-OG 3.48Å; A121-S124 PolarHBondContact O-OG 2.95Å; A121-L125 VanDerWaalsContact O-CB 3.25Å; A121-L125 WeakPolarHBondContact O-CB 3.34Å; A121-L125 PolarHBondContact O-N 3.44Å
122	V	86.1	Confident	84.4	Confident	47 Å²	47	82.9 Å²	82.9	29%	0.285	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-39	175.5	177.2	0	0	0	0	111.6	K114 M117 N118 K119 G120 L125 A126	K114-V122 WeakPolarHBondContact O-CG2 3.21Å; M117-V122 HydrophobicContact CB-CG2 3.97Å; N118-V122 WeakPolarHBondContact O-CG2 3.39Å; N118-V122 PolarHBondContact O-N 2.93Å; K119-V122 PolarHBondContact O-N 3.27Å; G120-V122 VanDerWaalsContact C-N 3.34Å; G120-V122 PolarHBondContact O-N 2.72Å; V122-L125 PolarHBondContact O-N 2.61Å; V122-A126 PolarHBondContact O-N 3.45Å
123	K	88.5	Confident	84.5	Confident	164 Å²	164	81.3 Å²	81.3	71%	0.713	40%	0.399	S	S	*	.	H	α-helix	trans	-67.9	-42.5	177	-171.7	178.9	179.4	-178.9	0	111.7	K119 G120 A126 T127	K119-K123 PolarHBondContact O-N 3.07Å; K119-K123 VanDerWaalsContact O-N 3.13Å; G120-K123 PolarHBondContact O-N 2.96Å; K123-A126 PolarHBondContact O-N 2.84Å; K123-T127 PolarHBondContact O-N 3.22Å; K123-T127 VanDerWaalsContact O-N 3.15Å; K123-T127 PolarHBondContact O-OG1 3.45Å
124	S	86.8	Confident	84.7	Confident	15 Å²	15	82.4 Å²	82.4	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-43.5	171.7	42.4	0	0	0	0	111.1	M66 I70 G120 A121 A126 T127 L128	M66-S124 WeakPolarHBondContact CB-OG 3.45Å; I70-S124 VanDerWaalsContact CD1-O 3.32Å; I70-S124 WeakPolarHBondContact CD1-O 3.35Å; G120-S124 PolarHBondContact O-N 3.3Å; G120-S124 PolarHBondContact O-OG 2.85Å; G120-S124 VanDerWaalsContact O-OG 3.05Å; A121-S124 VanDerWaalsContact C-OG 3.29Å; A121-S124 WeakPolarHBondContact CA-OG 3.48Å; A121-S124 PolarHBondContact O-OG 2.95Å; S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 3.14Å; S124-T127 CarbonylContact O-C 3.56Å; S124-T127 WeakPolarHBondContact O-CB 3.38Å; S124-T127 PolarHBondContact O-N 3.38Å; S124-L128 WeakPolarHBondContact O-CB 3.3Å; S124-L128 PolarHBondContact O-N 3.36Å
125	L	88.2	Confident	84.7	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-58.9	-42.6	177.2	-174.6	96	0	0	0	112.2	M66 S110 W111 M117 A121 V122 T127 L128 K129	M66-L125 HydrophobicContact CE-CD1 3.86Å; M66-L125 HydrophobicContact CG-CB 4.45Å; M66-L125 HydrophobicContact CG-CD1 4.42Å; M66-L125 HydrophobicContact SD-CD1 3.66Å; S110-L125 VanDerWaalsContact CB-CD1 3.41Å; W111-L125 HydrophobicContact CB-CD2 4.47Å; W111-L125 HydrophobicContact CD2-CD2 4.22Å; W111-L125 HydrophobicContact CE3-CD2 3.27Å; W111-L125 HydrophobicContact CE3-CG 4.03Å; W111-L125 HydrophobicContact CZ3-CD2 3.76Å; W111-L125 HydrophobicContact CZ3-CG 4.4Å; M117-L125 HydrophobicContact CE-CB 4.01Å; M117-L125 HydrophobicContact CE-CD1 3.8Å; M117-L125 HydrophobicContact CE-CD2 3.58Å; M117-L125 HydrophobicContact CE-CG 3.99Å; A121-L125 VanDerWaalsContact O-CB 3.25Å; A121-L125 WeakPolarHBondContact O-CB 3.34Å; A121-L125 PolarHBondContact O-N 3.44Å; V122-L125 PolarHBondContact O-N 2.61Å; L125-T127 VanDerWaalsContact C-N 3.33Å; L125-T127 PolarHBondContact O-N 2.6Å; L125-L128 PolarHBondContact O-N 2.91Å; L125-K129 WeakPolarHBondContact O-CB 3.32Å; L125-K129 PolarHBondContact O-N 3.22Å
126	A	89.1	Confident	84.8	Confident	41 Å²	41	70.2 Å²	70.2	34%	0.339	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-41.2	175.1	0	0	0	0	0	112.3	W111 V122 K123 S124 Q130	W111-A126 HydrophobicContact CH2-CB 4.26Å; W111-A126 HydrophobicContact CZ3-CB 4.06Å; V122-A126 PolarHBondContact O-N 3.45Å; K123-A126 PolarHBondContact O-N 2.84Å; S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 3.14Å; A126-Q130 PolarHBondContact O-N 3.04Å; A126-Q130 VanDerWaalsContact O-N 3.1Å
127	T	89.4	Confident	84.9	Confident	52 Å²	52	71.2 Å²	71.2	32%	0.319	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-43	176.4	-49.1	0	0	0	0	111.6	I70 K123 S124 L125 Q130 R131	I70-T127 HydrophobicContact CD1-CG2 4.44Å; K123-T127 PolarHBondContact O-N 3.22Å; K123-T127 VanDerWaalsContact O-N 3.15Å; K123-T127 PolarHBondContact O-OG1 3.45Å; S124-T127 CarbonylContact O-C 3.56Å; S124-T127 WeakPolarHBondContact O-CB 3.38Å; S124-T127 PolarHBondContact O-N 3.38Å; L125-T127 VanDerWaalsContact C-N 3.33Å; L125-T127 PolarHBondContact O-N 2.6Å; T127-Q130 PolarHBondContact O-N 3.01Å; T127-R131 WeakPolarHBondContact O-CG 3.47Å; T127-R131 PolarHBondContact O-N 2.72Å
128	L	89.6	Confident	85.4	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-47.9	176.7	-176.1	63.4	0	0	0	110.4	I69 I70 V107 S124 L125 Q130 R131 V132	I69-L128 HydrophobicContact CB-CD2 4.27Å; I69-L128 HydrophobicContact CG2-CD1 3.96Å; I69-L128 HydrophobicContact CG2-CD2 3.57Å; I69-L128 HydrophobicContact CG2-CG 4.44Å; I70-L128 HydrophobicContact CD1-CB 4.31Å; I70-L128 HydrophobicContact CG1-CB 3.83Å; I70-L128 HydrophobicContact CG1-CD1 3.92Å; I70-L128 HydrophobicContact CG1-CG 4.37Å; V107-L128 HydrophobicContact CG2-CD2 3.69Å; V107-L128 HydrophobicContact CG2-CG 3.85Å; S124-L128 WeakPolarHBondContact O-CB 3.3Å; S124-L128 PolarHBondContact O-N 3.36Å; L125-L128 PolarHBondContact O-N 2.91Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.34Å; L128-R131 PolarHBondContact O-N 3.33Å; L128-R131 VanDerWaalsContact O-N 3.13Å; L128-V132 HydrophobicContact CD1-CG2 3.83Å; L128-V132 HydrophobicContact CG-CG2 4.12Å; L128-V132 WeakPolarHBondContact O-CB 3.35Å; L128-V132 WeakPolarHBondContact O-CG2 3.36Å; L128-V132 PolarHBondContact O-N 3Å
129	K	89.9	Confident	85.2	Confident	57 Å²	57	70.4 Å²	70.4	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-58.4	-42.3	177	-177.1	168.9	-178.9	159.5	0	112.7	V107 W111 L125 K133	V107-K129 HydrophobicContact CG1-CB 3.74Å; V107-K129 HydrophobicContact CG1-CG 3.98Å; W111-K129 HydrophobicContact CB-CD 4.5Å; W111-K129 HydrophobicContact CD2-CD 3.53Å; W111-K129 HydrophobicContact CE3-CB 4.42Å; W111-K129 HydrophobicContact CE3-CD 3.48Å; W111-K129 VanDerWaalsContact CE3-CD 3.48Å; W111-K129 HydrophobicContact CG-CD 3.97Å; W111-K129 HydrophobicContact CH2-CD 4.49Å; W111-K129 HydrophobicContact CZ2-CD 4.47Å; W111-K129 HydrophobicContact CZ3-CD 4.03Å; L125-K129 WeakPolarHBondContact O-CB 3.32Å; L125-K129 PolarHBondContact O-N 3.22Å; K129-K133 WeakPolarHBondContact O-CB 3.29Å; K129-K133 PolarHBondContact O-N 2.87Å; K129-K133 VanDerWaalsContact O-N 3.07Å
130	Q	89.3	Confident	84.9	Confident	125 Å²	125	66.6 Å²	66.6	58%	0.584	33%	0.328	S	S	*	.	H	α-helix	trans	-67.2	-37.6	177.4	-167.5	-178.3	4.5	0	0	112.2	A126 T127 L128 K134	A126-Q130 PolarHBondContact O-N 3.04Å; A126-Q130 VanDerWaalsContact O-N 3.1Å; T127-Q130 PolarHBondContact O-N 3.01Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.34Å; Q130-K134 WeakPolarHBondContact O-CG 3.49Å; Q130-K134 PolarHBondContact O-N 3.13Å
131	R	86.8	Confident	84.7	Confident	93 Å²	93	67.2 Å²	67.2	35%	0.351	33%	0.328	S	S	.	.	H	α-helix	trans	-74.4	-48.3	179.5	-75.5	-175.7	177.5	173.9	-3.1	112.7	F73 Q74 T127 L128 K133 K134 Y135	F73-R131 HydrophobicContact CE1-CB 4.38Å; Q74-R131 VanDerWaalsContact NE2-CZ 3.34Å; T127-R131 WeakPolarHBondContact O-CG 3.47Å; T127-R131 PolarHBondContact O-N 2.72Å; L128-R131 PolarHBondContact O-N 3.33Å; L128-R131 VanDerWaalsContact O-N 3.13Å; R131-K133 VanDerWaalsContact C-N 3.33Å; R131-K133 PolarHBondContact O-N 3.4Å; R131-K134 PolarHBondContact O-N 2.65Å; R131-K134 VanDerWaalsContact O-N 3.14Å; R131-Y135 PolarHBondContact O-N 3.35Å
132	V	86.2	Confident	84.2	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-48	176.8	174.3	0	0	0	0	109.2	F73 L103 E104 V107 L128 K134 Y135 T136	F73-V132 HydrophobicContact CE1-CG2 4.35Å; F73-V132 HydrophobicContact CZ-CG2 4.29Å; L103-V132 HydrophobicContact CD2-CG2 3.73Å; L103-V132 HydrophobicContact CG-CG2 4.07Å; E104-V132 HydrophobicContact CB-CG1 4.45Å; V107-V132 HydrophobicContact CG2-CG2 4.38Å; L128-V132 HydrophobicContact CD1-CG2 3.83Å; L128-V132 HydrophobicContact CG-CG2 4.12Å; L128-V132 WeakPolarHBondContact O-CB 3.35Å; L128-V132 WeakPolarHBondContact O-CG2 3.36Å; L128-V132 PolarHBondContact O-N 3Å; V132-K134 VanDerWaalsContact C-N 3.28Å; V132-K134 PolarHBondContact O-N 3.02Å; V132-Y135 PolarHBondContact O-N 2.96Å; V132-T136 PolarHBondContact O-N 3.48Å; V132-T136 PolarHBondContact O-OG1 2.97Å
133	K	86.7	Confident	83.6	Confident	130 Å²	130	66.6 Å²	66.6	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-60	-31.4	177.4	-170.9	172.2	-176.6	173.5	0	114.5	K129 R131 R137	K129-K133 WeakPolarHBondContact O-CB 3.29Å; K129-K133 PolarHBondContact O-N 2.87Å; K129-K133 VanDerWaalsContact O-N 3.07Å; R131-K133 VanDerWaalsContact C-N 3.33Å; R131-K133 PolarHBondContact O-N 3.4Å; K133-R137 WeakPolarHBondContact O-CG 3.39Å
134	K	85.8	Confident	83	Confident	135 Å²	135	65.4 Å²	65.4	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-72.6	-36.5	174	-78.4	-180	-179.9	-174.4	0	111.7	Q130 R131 V132	Q130-K134 WeakPolarHBondContact O-CG 3.49Å; Q130-K134 PolarHBondContact O-N 3.13Å; R131-K134 PolarHBondContact O-N 2.65Å; R131-K134 VanDerWaalsContact O-N 3.14Å; V132-K134 VanDerWaalsContact C-N 3.28Å; V132-K134 PolarHBondContact O-N 3.02Å
135	Y	83.3	Confident	82.3	Confident	29 Å²	29	68.1 Å²	68.1	11%	0.114	33%	0.325	C	S	.	.	H	α-helix	trans	-80.7	-39.7	-176.8	-157.8	-102.7	0	0	0	112.6	F73 V77 Y96 I100 R131 V132 R137 L138 F139	F73-Y135 HydrophobicContact CE2-CD1 4.3Å; F73-Y135 AromaticContact CZ-CD1 3.86Å; F73-Y135 HydrophobicContact CZ-CD1 3.86Å; F73-Y135 AromaticContact CZ-CG 3.86Å; F73-Y135 HydrophobicContact CZ-CG 3.86Å; V77-Y135 HydrophobicContact CB-CE2 4.48Å; V77-Y135 HydrophobicContact CG1-CE2 3.77Å; V77-Y135 HydrophobicContact CG2-CD2 4.27Å; V77-Y135 HydrophobicContact CG2-CE1 4.09Å; V77-Y135 HydrophobicContact CG2-CE2 3.81Å; Y96-Y135 HydrophobicContact CE1-CE1 4.36Å; Y96-Y135 WeakPolarHBondContact OH-CE1 3.34Å; Y96-Y135 PolarHBondContact OH-OH 3.14Å; I100-Y135 HydrophobicContact CD1-CD1 4.18Å; I100-Y135 HydrophobicContact CD1-CE1 3.85Å; R131-Y135 PolarHBondContact O-N 3.35Å; V132-Y135 PolarHBondContact O-N 2.96Å; Y135-R137 PolarHBondContact O-N 2.95Å; Y135-L138 HydrophobicContact CD2-CD1 4.19Å; Y135-L138 HydrophobicContact CE2-CD1 4.3Å; Y135-L138 WeakPolarHBondContact O-CB 3.03Å; Y135-L138 PolarHBondContact O-N 3.45Å; Y135-F139 HydrophobicContact CD1-CD2 4.06Å; Y135-F139 AromaticContact CD1-CE2 3.91Å; Y135-F139 HydrophobicContact CD1-CE2 3.91Å; Y135-F139 AromaticContact CE1-CD2 3.83Å; Y135-F139 HydrophobicContact CE1-CD2 3.83Å; Y135-F139 AromaticContact CE1-CE2 3.28Å; Y135-F139 HydrophobicContact CE1-CE2 3.28Å; Y135-F139 HydrophobicContact CE1-CZ 4.19Å; Y135-F139 HydrophobicContact CE2-CE2 4.28Å; Y135-F139 AromaticContact CZ-CE2 3.49Å; Y135-F139 VanDerWaalsContact CZ-CE2 3.49Å
136	T	80.4	Confident	81.2	Confident	11 Å²	11	69.8 Å²	69.8	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-55.3	-34.9	176	-55.4	0	0	0	0	112	E104 V132 L138 F139 E140 I143	E104-T136 VanDerWaalsContact OE2-CG2 3.23Å; E104-T136 WeakPolarHBondContact OE2-CG2 3.26Å; V132-T136 PolarHBondContact O-N 3.48Å; V132-T136 PolarHBondContact O-OG1 2.97Å; T136-L138 PolarHBondContact O-N 3.26Å; T136-L138 VanDerWaalsContact O-N 3.16Å; T136-F139 CarbonylContact O-C 3.58Å; T136-F139 PolarHBondContact O-N 3.11Å; T136-E140 PolarHBondContact O-N 2.61Å; T136-I143 HydrophobicContact CG2-CD1 3.6Å
137	R	81.5	Confident	80.3	Confident	169 Å²	169	74.5 Å²	74.5	64%	0.638	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.4	175.6	-73.8	176.1	178.6	-177.9	-3.8	113.8	K133 Y135 F139	K133-R137 WeakPolarHBondContact O-CG 3.39Å; Y135-R137 PolarHBondContact O-N 2.95Å; R137-F139 VanDerWaalsContact C-N 3.34Å
138	L	78.4	Confident	79.5	Confident	127 Å²	127	78.4 Å²	78.4	67%	0.665	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.7	177.8	-58.8	176.1	0	0	0	112.3	Y135 T136	Y135-L138 HydrophobicContact CD2-CD1 4.19Å; Y135-L138 HydrophobicContact CE2-CD1 4.3Å; Y135-L138 WeakPolarHBondContact O-CB 3.03Å; Y135-L138 PolarHBondContact O-N 3.45Å; T136-L138 PolarHBondContact O-N 3.26Å; T136-L138 VanDerWaalsContact O-N 3.16Å
139	F	76.9	Confident	78.3	Confident	22 Å²	22	82.4 Å²	82.4	10%	0.096	38%	0.377	C	S	.	.	S	Bend	trans	-119	16.9	-174.8	-61.9	-82.1	0	0	0	112.6	Y80 V92 Y96 I100 Y135 T136 R137 A141 N142 I143	Y80-F139 HydrophobicContact CE1-CE1 4.43Å; Y80-F139 AromaticContact CE1-CZ 3.96Å; Y80-F139 HydrophobicContact CE1-CZ 3.96Å; V92-F139 HydrophobicContact CG1-CD1 4.39Å; V92-F139 HydrophobicContact CG1-CE1 4.13Å; V92-F139 HydrophobicContact CG2-CE1 4.14Å; Y96-F139 HydrophobicContact CE1-CE1 4.47Å; Y96-F139 HydrophobicContact CE1-CZ 4.16Å; I100-F139 HydrophobicContact CD1-CD2 4.22Å; Y135-F139 HydrophobicContact CD1-CD2 4.06Å; Y135-F139 AromaticContact CD1-CE2 3.91Å; Y135-F139 HydrophobicContact CD1-CE2 3.91Å; Y135-F139 AromaticContact CE1-CD2 3.83Å; Y135-F139 HydrophobicContact CE1-CD2 3.83Å; Y135-F139 AromaticContact CE1-CE2 3.28Å; Y135-F139 HydrophobicContact CE1-CE2 3.28Å; Y135-F139 HydrophobicContact CE1-CZ 4.19Å; Y135-F139 HydrophobicContact CE2-CE2 4.28Å; Y135-F139 AromaticContact CZ-CE2 3.49Å; Y135-F139 VanDerWaalsContact CZ-CE2 3.49Å; T136-F139 CarbonylContact O-C 3.58Å; T136-F139 PolarHBondContact O-N 3.11Å; R137-F139 VanDerWaalsContact C-N 3.34Å; F139-A141 PolarHBondContact O-N 3.41Å; F139-N142 PolarHBondContact O-N 3.18Å; F139-N142 VanDerWaalsContact O-N 3.1Å; F139-I143 HydrophobicContact CB-CD1 4.04Å; F139-I143 HydrophobicContact CB-CG1 4.27Å; F139-I143 WeakPolarHBondContact O-CB 3.32Å; F139-I143 VanDerWaalsContact O-CG1 3.27Å; F139-I143 WeakPolarHBondContact O-CG1 3.33Å; F139-I143 PolarHBondContact O-N 3.08Å
140	E	76.8	Confident	76.9	Confident	106 Å²	106	83.9 Å²	83.9	50%	0.495	39%	0.394	S	S	.	.	H	α-helix	trans	-62.3	-31	-172.1	-160.5	170.2	179.5	0	0	112.7	T136 R144	T136-E140 PolarHBondContact O-N 2.61Å; E140-R144 WeakPolarHBondContact O-CB 3.4Å; E140-R144 PolarHBondContact O-N 3.27Å; E140-R144 VanDerWaalsContact O-N 3.16Å
141	A	76.3	Confident	75.4	Confident	63 Å²	63	86.2 Å²	86.2	52%	0.521	41%	0.406	S	S	.	.	H	α-helix	trans	-67.6	-52.9	171.1	0	0	0	0	0	111.5	F139 I143 R144 D145	F139-A141 PolarHBondContact O-N 3.41Å; A141-I143 VanDerWaalsContact C-N 3.29Å; A141-I143 PolarHBondContact O-N 2.83Å; A141-R144 WeakPolarHBondContact O-CB 3.36Å; A141-R144 PolarHBondContact O-N 3.44Å; A141-D145 PolarHBondContact O-N 3.3Å
142	N	72	Confident	74.1	Confident	48 Å²	48	87.7 Å²	87.7	26%	0.257	42%	0.42	S	S	.	.	H	α-helix	trans	-63.5	-33.6	-179.2	-60.4	-0.7	0	0	0	112.8	V92 V97 F139 D145 F146	V92-N142 WeakPolarHBondContact CG2-ND2 3.47Å; V97-N142 HydrophobicContact CG1-CB 4.27Å; V97-N142 HydrophobicContact CG2-CB 4.27Å; F139-N142 PolarHBondContact O-N 3.18Å; F139-N142 VanDerWaalsContact O-N 3.1Å; N142-D145 PolarHBondContact O-N 3.2Å; N142-F146 WeakPolarHBondContact O-CB 3.36Å; N142-F146 PolarHBondContact O-N 3.02Å
143	I	74.9	Confident	72.7	Confident	8 Å²	8	89.3 Å²	89.3	4%	0.041	43%	0.426	C	S	.	.	H	α-helix	trans	-71.7	-34.9	176.4	-66.2	167.7	0	0	0	110.6	V97 I100 T136 F139 A141 F146 R147	V97-I143 HydrophobicContact CG1-CG1 4.3Å; I100-I143 HydrophobicContact CG2-CD1 3.79Å; T136-I143 HydrophobicContact CG2-CD1 3.6Å; F139-I143 HydrophobicContact CB-CD1 4.04Å; F139-I143 HydrophobicContact CB-CG1 4.27Å; F139-I143 WeakPolarHBondContact O-CB 3.32Å; F139-I143 VanDerWaalsContact O-CG1 3.27Å; F139-I143 WeakPolarHBondContact O-CG1 3.33Å; F139-I143 PolarHBondContact O-N 3.08Å; A141-I143 VanDerWaalsContact C-N 3.29Å; A141-I143 PolarHBondContact O-N 2.83Å; I143-F146 PolarHBondContact O-N 3.41Å; I143-R147 WeakPolarHBondContact O-CG 3.44Å; I143-R147 PolarHBondContact O-N 3.34Å
144	R	75.4	Confident	71.2	Confident	138 Å²	138	88.3 Å²	88.3	52%	0.521	43%	0.431	S	S	.	.	H	α-helix	trans	-66.7	-45.3	172.9	-164.3	-179.7	-56.9	166.5	4.3	110.5	E140 A141 F146 R147 E148	E140-R144 WeakPolarHBondContact O-CB 3.4Å; E140-R144 PolarHBondContact O-N 3.27Å; E140-R144 VanDerWaalsContact O-N 3.16Å; A141-R144 WeakPolarHBondContact O-CB 3.36Å; A141-R144 PolarHBondContact O-N 3.44Å; R144-F146 VanDerWaalsContact C-N 3.3Å; R144-F146 PolarHBondContact O-N 3.2Å; R144-R147 PolarHBondContact O-N 2.74Å; R144-R147 VanDerWaalsContact O-N 3.1Å; R144-E148 WeakPolarHBondContact CG-OE1 3.36Å; R144-E148 WeakPolarHBondContact O-CB 3.37Å; R144-E148 WeakPolarHBondContact O-CG 3.43Å; R144-E148 PolarHBondContact O-N 2.68Å
145	D	72.1	Confident	69.6	Low	73 Å²	73	85.8 Å²	85.8	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-37.5	175.8	-65.3	-10.6	0	0	0	111.9	A141 N142 E148 N149	A141-D145 PolarHBondContact O-N 3.3Å; N142-D145 PolarHBondContact O-N 3.2Å; D145-E148 PolarHBondContact O-N 2.84Å; D145-N149 WeakPolarHBondContact O-CB 3.44Å; D145-N149 PolarHBondContact O-N 3.21Å
146	F	65.5	Low	67.5	Low	35 Å²	35	93.2 Å²	93.2	15%	0.154	46%	0.459	C	S	.	.	H	α-helix	trans	-65.1	-38.5	173.8	179.6	-99.2	0	0	0	112.6	V97 R98 A101 N142 I143 R144 S150 Y153	V97-F146 HydrophobicContact CG1-CB 3.89Å; V97-F146 HydrophobicContact CG1-CG 4.27Å; R98-F146 HydrophobicContact CB-CE2 3.89Å; R98-F146 HydrophobicContact CB-CZ 3.85Å; R98-F146 HydrophobicContact CG-CE2 4.25Å; R98-F146 HydrophobicContact CG-CZ 3.77Å; A101-F146 HydrophobicContact CB-CD1 4.02Å; A101-F146 HydrophobicContact CB-CE1 4.12Å; N142-F146 WeakPolarHBondContact O-CB 3.36Å; N142-F146 PolarHBondContact O-N 3.02Å; I143-F146 PolarHBondContact O-N 3.41Å; R144-F146 VanDerWaalsContact C-N 3.3Å; R144-F146 PolarHBondContact O-N 3.2Å; F146-S150 PolarHBondContact O-N 3.35Å; F146-Y153 HydrophobicContact CB-CD2 4.41Å; F146-Y153 HydrophobicContact CB-CE2 4.15Å; F146-Y153 AromaticContact CD2-CD1 3.59Å; F146-Y153 HydrophobicContact CD2-CD1 3.59Å; F146-Y153 AromaticContact CD2-CD2 3.66Å; F146-Y153 HydrophobicContact CD2-CD2 3.66Å; F146-Y153 HydrophobicContact CD2-CE1 4.14Å; F146-Y153 HydrophobicContact CD2-CE2 4.16Å; F146-Y153 AromaticContact CD2-CG 3.36Å; F146-Y153 HydrophobicContact CD2-CG 3.36Å; F146-Y153 VanDerWaalsContact CE2-CB 3.49Å; F146-Y153 HydrophobicContact CE2-CD1 4.12Å; F146-Y153 HydrophobicContact CE2-CD2 4.45Å; F146-Y153 AromaticContact CE2-CG 3.84Å; F146-Y153 HydrophobicContact CE2-CG 3.84Å
147	R	70.3	Confident	65.3	Low	140 Å²	140	101.3 Å²	101.3	53%	0.528	50%	0.496	S	S	.	.	H	α-helix	trans	-75	-31.8	178	-74.8	-178.4	174.6	-174.6	-2.4	112.8	D105 I143 R144	D105-R147 IonicContact OD1-NH2 3.92Å; D105-R147 PolarHBondContact OD1-NH2 3.31Å; D105-R147 IonicContact OD2-NH2 3.74Å; I143-R147 WeakPolarHBondContact O-CG 3.44Å; I143-R147 PolarHBondContact O-N 3.34Å; R144-R147 PolarHBondContact O-N 2.74Å; R144-R147 VanDerWaalsContact O-N 3.1Å
148	E	71.6	Confident	63.1	Low	133 Å²	133	98.7 Å²	98.7	62%	0.621	50%	0.501	S	S	*	.	H	α-helix	trans	-80.8	-36.9	177.7	-71.5	177.9	-168.2	0	0	111.9	R144 D145	R144-E148 WeakPolarHBondContact CG-OE1 3.36Å; R144-E148 WeakPolarHBondContact O-CB 3.37Å; R144-E148 WeakPolarHBondContact O-CG 3.43Å; R144-E148 PolarHBondContact O-N 2.68Å; D145-E148 PolarHBondContact O-N 2.84Å
149	N	63.6	Low	60.8	Low	85 Å²	85	96.4 Å²	96.4	46%	0.455	51%	0.509	S	S	.	.			trans	-123.9	66.8	-175.8	-64	-36	0	0	0	112	D145 E151 N152	D145-N149 WeakPolarHBondContact O-CB 3.44Å; D145-N149 PolarHBondContact O-N 3.21Å; N149-E151 PolarHBondContact O-N 2.97Å; N149-E151 VanDerWaalsContact O-N 3.08Å; N149-N152 HydrophobicContact CB-CB 4.35Å; N149-N152 PolarHBondContact O-N 3.22Å; N149-N152 VanDerWaalsContact O-N 3.13Å
150	S	60.6	Low	58.7	Low	87 Å²	87	103 Å²	103	61%	0.608	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-55.9	-25.3	178.5	178.3	0	0	0	0	113.9	F146	F146-S150 PolarHBondContact O-N 3.35Å
151	E	58.9	Low	56.6	Low	175 Å²	175	103.1 Å²	103.1	82%	0.818	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-76.3	-25.6	-179.2	-72.8	-178	161.7	0	0	113.4	N149 Y153	N149-E151 PolarHBondContact O-N 2.97Å; N149-E151 VanDerWaalsContact O-N 3.08Å; E151-Y153 PolarHBondContact O-N 3.36Å
152	N	58.2	Low	54.4	Low	123 Å²	123	106.9 Å²	106.9	66%	0.658	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-77.9	-4.4	-176.9	-75.9	-8.2	0	0	0	114	N149	N149-N152 HydrophobicContact CB-CB 4.35Å; N149-N152 PolarHBondContact O-N 3.22Å; N149-N152 VanDerWaalsContact O-N 3.13Å
153	Y	58.6	Low	52.6	Low	39 Å²	39	113 Å²	113	15%	0.153	60%	0.598	C	S	.	*	G	3₁₀ helix	trans	-117.8	24.5	-176.4	-76.5	-104.3	0	0	0	112.8	P94 V97 F146 E151	P94-Y153 VanDerWaalsContact CA-CD1 3.4Å; P94-Y153 HydrophobicContact CB-CD1 3.46Å; P94-Y153 VanDerWaalsContact CB-CD1 3.46Å; P94-Y153 HydrophobicContact CB-CE1 4.12Å; P94-Y153 HydrophobicContact CB-CG 4.2Å; P94-Y153 HydrophobicContact CG-CD1 4.33Å; V97-Y153 HydrophobicContact CB-CD1 4.4Å; V97-Y153 HydrophobicContact CB-CE1 3.77Å; V97-Y153 HydrophobicContact CG1-CE1 4.08Å; V97-Y153 HydrophobicContact CG2-CE1 3.94Å; F146-Y153 HydrophobicContact CB-CD2 4.41Å; F146-Y153 HydrophobicContact CB-CE2 4.15Å; F146-Y153 AromaticContact CD2-CD1 3.59Å; F146-Y153 HydrophobicContact CD2-CD1 3.59Å; F146-Y153 AromaticContact CD2-CD2 3.66Å; F146-Y153 HydrophobicContact CD2-CD2 3.66Å; F146-Y153 HydrophobicContact CD2-CE1 4.14Å; F146-Y153 HydrophobicContact CD2-CE2 4.16Å; F146-Y153 AromaticContact CD2-CG 3.36Å; F146-Y153 HydrophobicContact CD2-CG 3.36Å; F146-Y153 VanDerWaalsContact CE2-CB 3.49Å; F146-Y153 HydrophobicContact CE2-CD1 4.12Å; F146-Y153 HydrophobicContact CE2-CD2 4.45Å; F146-Y153 AromaticContact CE2-CG 3.84Å; F146-Y153 HydrophobicContact CE2-CG 3.84Å; E151-Y153 PolarHBondContact O-N 3.36Å
154	V	53.5	Low	50.6	Low	108 Å²	108	120.8 Å²	120.8	66%	0.655	63%	0.634	S	S	*	*			trans	-80	118.3	169.2	-178.6	0	0	0	0	108	E156	V154-E156 PolarHBondContact O-N 3.34Å; V154-E156 VanDerWaalsContact O-N 3.16Å
155	D	52.7	Low	48.6	Very low	83 Å²	83	118.4 Å²	118.4	44%	0.444	64%	0.644	S	S	.	*			trans	-62.4	114.1	169.8	-68.3	-50.1	0	0	0	107.9	E157	D155-E157 PolarHBondContact O-N 3.31Å
156	E	39.4	Very low	46.8	Very low	185 Å²	185	121.4 Å²	121.4	86%	0.864	66%	0.66	S	S	*	*			trans	-61.7	106.4	167.6	-73.1	-175	163	0	0	107.9	V154 P158	V154-E156 PolarHBondContact O-N 3.34Å; V154-E156 VanDerWaalsContact O-N 3.16Å; E156-P158 WeakPolarHBondContact O-CD 3.45Å
157	E	34.3	Very low	45.3	Very low	180 Å²	180	127 Å²	127	84%	0.841	69%	0.687	S	S	*	*			trans	-62.2	126.4	167.9	-77	-154.1	157.2	0	0	108.9	D155 G159	D155-E157 PolarHBondContact O-N 3.31Å; E157-G159 PolarHBondContact O-N 3.29Å
158	P	35.3	Very low	43.6	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	69%	0.694	S	S	*	*			trans	-68.5	105.9	167	26.9	-29.4	0	0	0	108.3	E156 I160	E156-P158 WeakPolarHBondContact O-CD 3.45Å; P158-I160 PolarHBondContact O-N 3.2Å; P158-I160 VanDerWaalsContact O-N 3.1Å
159	G	29.5	Very low	41.7	Very low	80 Å²	80	129.5 Å²	129.5	83%	0.825	70%	0.704	S	S	*	*			trans	-58.3	109.7	172.1	0	0	0	0	0	111.3	E157	E157-G159 PolarHBondContact O-N 3.29Å
160	I	33.6	Very low	40.3	Very low	160 Å²	160	130.5 Å²	130.5	82%	0.821	72%	0.724	S	S	*	*			trans	-109.1	117.4	162.5	-64.9	171.5	0	0	0	105.9	P158	P158-I160 PolarHBondContact O-N 3.2Å; P158-I160 VanDerWaalsContact O-N 3.1Å
161	S	32.4	Very low	38.9	Very low	109 Å²	109	131 Å²	131	76%	0.762	73%	0.734	S	S	*	*			trans	-55	137.2	-171.1	50	0	0	0	0	116.1
162	D	29.8	Very low	37.8	Very low	142 Å²	142	128.5 Å²	128.5	76%	0.759	73%	0.733	S	S	*	*			trans	-23.1	127	157.9	-51.5	-39.8	0	0	0	117.2
163	I	34.6	Very low	36.6	Very low	175 Å²	175	128.2 Å²	128.2	90%	0.897	74%	0.74	S	S	*	*				-143.6	99.9	130	-57.6	-174.4	0	0	0	107
164	E	31.7	Very low	35.4	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	77%	0.767	S	S	*	*			trans	-82.5	171	168.1	-68.2	-172.9	146.1	0	0	112.1
165	A	34.1	Very low	34.5	Very low	87 Å²	87	133 Å²	133	72%	0.719	77%	0.769	S	S	*	*			trans	87.1	121.5	168.2	0	0	0	0	0	114.4
166	D	35.2	Very low	33.5	Very low	136 Å²	136	137.8 Å²	137.8	73%	0.727	79%	0.786	S	S	*	*			cis	-160.7	149.2	37	-96.9	-37.7	0	0	0	111.5
167	E	34.2	Very low	33.1	Very low	153 Å²	153	135.5 Å²	135.5	72%	0.715	79%	0.785	S	S	*	*			trans	57	145.9	141.4	-60	180	163	0	0	120.8
168	Q	34.5	Very low	33	Very low	145 Å²	145	132.3 Å²	132.3	68%	0.678	78%	0.782	S	S	*	*			cis	-163.7	146.3	-16.3	-109.8	163.3	24.1	0	0	104.8
169	E	31.3	Very low	32.8	Very low	181 Å²	181	129.9 Å²	129.9	85%	0.846	78%	0.778	S	S	*	*			trans	37	112.2	142.9	-61.2	-174.1	157.2	0	0	120.5
170	A	33.1	Very low	32.9	Very low	105 Å²	105	132.9 Å²	132.9	87%	0.868	78%	0.78	S	S	*	*				-175.9	129.5	110.5	0	0	0	0	0	111.7
171	A	32.3	Very low	32.8	Very low	98 Å²	98	132.4 Å²	132.4	81%	0.81	78%	0.779	S	S	*	*			trans	-78.1	171.5	-173.2	0	0	0	0	0	113.9
172	P	34.8	Very low	33	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	78%	0.778	S	S	*	*			trans	-102.4	170.1	-158.1	40	-33.9	0	0	0	114.1
173	S	32.9	Very low	33.1	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	78%	0.776	S	S	*	*			trans	-150.5	126.5	163.2	52.7	0	0	0	0	112.7
174	P	34.6	Very low	33	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	77%	0.765	S	S	*	*			trans	-109.5	-179	-177.6	35.1	-21.6	0	0	0	114.1
175	I	33.5	Very low	33.2	Very low	138 Å²	138	126.7 Å²	126.7	71%	0.708	77%	0.771	S	S	*	*			trans	95.4	118	155.7	-50.7	154.2	0	0	0	116.9
176	K	31.9	Very low	33.1	Very low	183 Å²	183	128.6 Å²	128.6	80%	0.796	77%	0.773	S	S	*	*				160.4	117.8	104.8	-118	138.2	-164.5	-169.6	0	114
177	V	31.2	Very low	33	Very low	138 Å²	138	131.9 Å²	131.9	84%	0.836	78%	0.781	S	S	*	*			trans	24.1	135.3	136.6	-83	0	0	0	0	123.5
178	S	33.4	Very low	32.9	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	79%	0.786	S	S	*	*				-176.7	118.1	125.1	178.7	0	0	0	0	108.3
179	G	30.7	Very low	32.6	Very low	63 Å²	63	131 Å²	131	65%	0.649	78%	0.784	S	S	*	*				64.3	117	84.7	0	0	0	0	0	110.8
180	T	32	Very low	32.7	Very low	142 Å²	142	129.6 Å²	129.6	87%	0.871	79%	0.788	S	S	*	*				-177.3	149.9	61.9	-31.8	0	0	0	0	111
181	L	30.6	Very low	32.4	Very low	151 Å²	151	136.1 Å²	136.1	79%	0.791	79%	0.79	S	S	*	*			trans	-78.5	174.6	172.1	-73.5	107.2	0	0	0	113.7
182	P	37.4	Very low	32.4	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	80%	0.795	S	S	*	*				-136.4	127.8	110.6	30.9	-15.2	0	0	0	112.7
183	T	32.1	Very low	32.1	Very low	116 Å²	116	140.3 Å²	140.3	71%	0.712	79%	0.79	S	S	*	*				45.2	136.8	88	59.1	0	0	0	0	114.3
184	S	32.6	Very low	32.2	Very low	97 Å²	97	142 Å²	142	68%	0.678	79%	0.789	S	S	*	*			cis	170.8	143.4	-0.2	48.6	0	0	0	0	105.3
185	T	34.1	Very low	31.9	Very low	151 Å²	151	141.1 Å²	141.1	93%	0.926	79%	0.791	S	S	*	*			trans	-167.8	133	139.5	31.2	0	0	0	0	112
186	V	32.1	Very low	31.9	Very low	128 Å²	128	140 Å²	140	78%	0.776	80%	0.795	S	S	*	*			trans	-110.1	149.7	-173.1	168.3	0	0	0	0	109.4
187	K	33.7	Very low	31.8	Very low	205 Å²	205	138.2 Å²	138.2	89%	0.891	79%	0.794	S	S	*	*			trans	170.2	109.8	141.4	-94.6	161.5	-176.5	-175.9	0	108.3
188	K	31.4	Very low	32	Very low	187 Å²	187	137.2 Å²	137.2	81%	0.813	79%	0.793	S	S	*	*				83.6	99.7	60.7	-159.7	175	-170	-176.2	0	114.3
189	S	28.9	Very low	31.9	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	79%	0.792	S	S	*	*			trans	23.1	131.9	145.9	66.7	0	0	0	0	122
190	T	32.6	Very low	32.2	Very low	151 Å²	151	143 Å²	143	93%	0.926	80%	0.796	S	S	*	*				-172.2	142.6	120.4	13.8	0	0	0	0	113.6
191	R	28.1	Very low	32.4	Very low	242 Å²	242	142.4 Å²	142.4	91%	0.913	79%	0.787	S	S	*	*			trans	-73.2	148.7	172.7	-74.7	170.7	164.7	157.6	-6.3	112.8
192	K	32.9	Very low	32.9	Very low	209 Å²	209	141 Å²	141	91%	0.909	78%	0.78	S	S	*	*				-176.9	150	126.7	-113.3	176.4	176.3	-179.4	0	113.2
193	S	28.6	Very low	33	Very low	100 Å²	100	141.8 Å²	141.8	70%	0.699	78%	0.778	S	S	*	*			trans	-84.6	174.6	-175.2	49.1	0	0	0	0	115.3
194	I	34.7	Very low	33.3	Very low	154 Å²	154	143.2 Å²	143.2	79%	0.79	78%	0.781	S	S	*	*			trans	121.1	105.9	164.3	-67.6	156.2	0	0	0	109
195	A	28.5	Very low	33.5	Very low	90 Å²	90	147 Å²	147	74%	0.744	79%	0.79	S	S	*	*				77.6	143	59.6	0	0	0	0	0	114.8
196	S	32	Very low	33.6	Very low	115 Å²	115	147.1 Å²	147.1	80%	0.804	79%	0.785	S	S	*	*			trans	76.8	115.1	179	67.1	0	0	0	0	117.2
197	D	29.7	Very low	33.9	Very low	144 Å²	144	148 Å²	148	77%	0.77	79%	0.786	S	S	*	*				91.9	117.1	50.8	-167.1	29.3	0	0	0	111.7
198	S	35.7	Very low	34.1	Very low	118 Å²	118	142.7 Å²	142.7	83%	0.825	77%	0.774	S	S	*	*			trans	-176.5	119.2	157	59	0	0	0	0	110.3
199	E	31.4	Very low	34.4	Very low	162 Å²	162	140.4 Å²	140.4	76%	0.757	77%	0.771	S	S	*	*			trans	-70.7	-169.9	175.4	-61.8	169.4	143.9	0	0	112.6
200	D	37.4	Very low	34.7	Very low	136 Å²	136	140.2 Å²	140.2	73%	0.727	77%	0.77	S	S	*	*			trans	92.9	132.4	162.9	-52.5	-11.9	0	0	0	115.2
201	D	36.7	Very low	34.7	Very low	128 Å²	128	139.3 Å²	139.3	68%	0.684	76%	0.76	S	S	*	*			cis	179.1	167.8	-10.7	-120.2	-18.8	0	0	0	105.7
202	D	41	Very low	35	Very low	123 Å²	123	134.7 Å²	134.7	66%	0.658	75%	0.753	S	S	*	*			trans	87.8	111.3	144.7	-64.9	-13.4	0	0	0	122.6
203	D	39.4	Very low	35.2	Very low	129 Å²	129	134.3 Å²	134.3	69%	0.69	75%	0.752	S	S	*	*				100.8	104.6	119.8	-62.4	-14.1	0	0	0	120.8
204	D	37.5	Very low	35.7	Very low	146 Å²	146	134 Å²	134	78%	0.781	75%	0.749	S	S	*	*				34.9	129.1	118.7	-67.8	-23.8	0	0	0	118.5
205	M	38	Very low	35.6	Very low	176 Å²	176	134 Å²	134	87%	0.867	75%	0.751	S	S	*	*				-165.1	112.6	128.2	-79.9	-117.9	179.5	0	0	111
206	D	36	Very low	36	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	76%	0.755	S	S	*	*			trans	-77.3	128.8	155.8	-170.3	18.4	0	0	0	106.7
207	D	38.7	Very low	36.2	Very low	146 Å²	146	138.9 Å²	138.9	78%	0.781	76%	0.756	S	S	*	*			trans	-152.7	116.6	164	-99.9	-28.5	0	0	0	112.1
208	S	37.1	Very low	36.5	Very low	94 Å²	94	139.8 Å²	139.8	66%	0.657	76%	0.761	S	S	*	*			trans	-67.8	172.8	161.3	179.7	0	0	0	0	110.7
209	D	37.3	Very low	36.4	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	75%	0.754	S	S	*	*			trans	98	104	164.4	-58	-6.8	0	0	0	114.3
210	S	35.5	Very low	36.5	Very low	89 Å²	89	135.8 Å²	135.8	62%	0.622	75%	0.75	S	S	*	*				90.7	138.7	79.8	84.8	0	0	0	0	112.4
211	D	32.6	Very low	36.2	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	76%	0.757	S	S	*	*			trans	79.5	111.5	160.3	-47.7	-39.1	0	0	0	116.4
212	D	33.9	Very low	36	Very low	144 Å²	144	135.5 Å²	135.5	77%	0.77	76%	0.764	S	S	*	*				87.7	91.5	90.7	-167.3	34.3	0	0	0	109.7
213	F	37.8	Very low	35.6	Very low	202 Å²	202	135.2 Å²	135.2	89%	0.886	77%	0.771	S	S	*	*			trans	-114	105.2	167.4	-74.8	-68.9	0	0	0	109.3
214	S	37.8	Very low	35.4	Very low	93 Å²	93	134.5 Å²	134.5	65%	0.65	78%	0.776	S	S	*	*			trans	-56.1	141.3	161.9	53.1	0	0	0	0	112
215	D	33.1	Very low	35.4	Very low	153 Å²	153	134.2 Å²	134.2	82%	0.818	77%	0.773	S	S	*	*			trans	-54.3	127.7	161.1	-83.7	-42.3	0	0	0	110.3
216	D	37.1	Very low	35.3	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	77%	0.774	S	S	*	*			trans	-118.8	114.7	154	-93.2	-32.4	0	0	0	108.1
217	D	36.4	Very low	35.4	Very low	152 Å²	152	132.7 Å²	132.7	81%	0.813	77%	0.767	S	S	*	*			trans	-62.2	135.1	167.4	-83.8	-51.6	0	0	0	110.4
218	D	35.4	Very low	35.2	Very low	163 Å²	163	132.7 Å²	132.7	87%	0.872	77%	0.767	S	S	*	*			trans	-153.7	103	143.7	-106	-31	0	0	0	112.6
219	S	34.9	Very low	35.3	Very low	97 Å²	97	136.8 Å²	136.8	68%	0.678	78%	0.781	S	S	*	*				48.8	110.7	127.3	-161.8	0	0	0	0	120.3
220	S	31.9	Very low	35.7	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	79%	0.785	S	S	*	*			trans	-4.2	128.9	148.9	57.4	0	0	0	0	119
221	S	32.2	Very low	35.9	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	80%	0.797	S	S	*	*			trans	-129.8	98.8	147.3	-78.7	0	0	0	0	109.5
222	T	33.1	Very low	36.2	Very low	134 Å²	134	144.8 Å²	144.8	82%	0.822	81%	0.809	S	S	*	*			trans	-70.9	126.9	163	48.5	0	0	0	0	108.4
223	S	32.2	Very low	36.7	Very low	116 Å²	116	147 Å²	147	81%	0.811	81%	0.811	S	S	*	*			trans	-132.5	92.2	156.2	55.4	0	0	0	0	108.4	I225	S223-I225 PolarHBondContact O-N 3.18Å
224	S	34.9	Very low	37	Very low	114 Å²	114	143 Å²	143	80%	0.797	80%	0.799	S	S	*	*			trans	-61.9	119.1	158.1	47.1	0	0	0	0	108.5
225	I	36.5	Very low	37.5	Very low	141 Å²	141	144.5 Å²	144.5	72%	0.723	81%	0.807	S	S	*	*			trans	-119.7	102.8	163.5	-145.9	150.2	0	0	0	108.3	S223 I227	S223-I225 PolarHBondContact O-N 3.18Å; I225-I227 HydrophobicContact CG1-CD1 4.3Å; I225-I227 HydrophobicContact CG1-CG1 4.24Å; I225-I227 HydrophobicContact CG2-CD1 3.88Å; I225-I227 HydrophobicContact CG2-CG1 4.12Å; I225-I227 PolarHBondContact O-N 3.1Å
226	D	37.4	Very low	38.9	Very low	164 Å²	164	141.1 Å²	141.1	88%	0.877	80%	0.795	S	S	*	*			trans	-62.8	110.2	165.3	-77.4	-45.9	0	0	0	108.3
227	I	36.8	Very low	39.8	Very low	134 Å²	134	138.6 Å²	138.6	69%	0.687	79%	0.785	S	S	*	*			trans	-130.9	102.3	167.5	-55.3	175.8	0	0	0	107.9	I225 L229	I225-I227 HydrophobicContact CG1-CD1 4.3Å; I225-I227 HydrophobicContact CG1-CG1 4.24Å; I225-I227 HydrophobicContact CG2-CD1 3.88Å; I225-I227 HydrophobicContact CG2-CG1 4.12Å; I225-I227 PolarHBondContact O-N 3.1Å; I227-L229 PolarHBondContact O-N 2.76Å
228	N	35.2	Very low	40.4	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	79%	0.79	S	S	*	*			trans	0.1	106	165.8	-85.1	-54	0	0	0	117.1	D230	N228-D230 PolarHBondContact O-N 3.19Å
229	L	38.9	Very low	40.9	Very low	180 Å²	180	144.1 Å²	144.1	94%	0.942	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	41.8	172.3	-166.4	64.7	0	0	0	113.4	I227	I227-L229 PolarHBondContact O-N 2.76Å
230	D	46.4	Very low	41.6	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.3	17	-178.2	-111	-12.3	0	0	0	114.2	N228	N228-D230 PolarHBondContact O-N 3.19Å
231	R	39.3	Very low	41.9	Very low	233 Å²	233	152 Å²	152	88%	0.879	81%	0.806	S	S	*	*			trans	-129.6	7.2	-175.5	-92	-173.8	168.5	-168.4	-3.6	118.5	K233	R231-K233 PolarHBondContact O-N 2.91Å
232	C	39.5	Very low	42.2	Very low	141 Å²	141	151.1 Å²	151.1	95%	0.953	80%	0.8	S	S	*	*			trans	-98	72.1	173.1	-73.9	0	0	0	0	111.6
233	K	44.9	Very low	42.4	Very low	189 Å²	189	151.7 Å²	151.7	82%	0.822	80%	0.803	S	S	*	*			trans	-113.5	124.5	157	-76.4	179.1	178.8	174.1	0	106.8	R231	R231-K233 PolarHBondContact O-N 2.91Å
234	D	44	Very low	42.6	Very low	118 Å²	118	150.9 Å²	150.9	63%	0.631	80%	0.797	S	S	*	*			trans	74.9	100.4	172.7	-60.3	-26.9	0	0	0	118.1	S236 V237	D234-S236 PolarHBondContact O-N 3.48Å; D234-S236 VanDerWaalsContact O-N 3.12Å; D234-V237 HydrophobicContact CB-CG2 4.31Å
235	P	47.6	Very low	42.6	Very low	126 Å²	126	153 Å²	153	82%	0.818	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-64.6	-3.1	165.8	-16.7	30.3	0	0	0	114.4	V237	P235-V237 VanDerWaalsContact C-N 3.34Å; P235-V237 PolarHBondContact O-N 3.27Å
236	S	62.6	Low	42.8	Very low	81 Å²	81	151.9 Å²	151.9	57%	0.566	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-78.7	-12.8	-175.8	59.1	0	0	0	0	114.2	D234	D234-S236 PolarHBondContact O-N 3.48Å; D234-S236 VanDerWaalsContact O-N 3.12Å
237	V	54.7	Low	42.8	Very low	105 Å²	105	151.9 Å²	151.9	64%	0.636	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-87.7	-13.2	-170.8	-159.7	0	0	0	0	113.2	D234 P235 F239	D234-V237 HydrophobicContact CB-CG2 4.31Å; P235-V237 VanDerWaalsContact C-N 3.34Å; P235-V237 PolarHBondContact O-N 3.27Å; V237-F239 PolarHBondContact O-N 3.5Å
238	Y	49	Very low	42.9	Very low	232 Å²	232	154.3 Å²	154.3	91%	0.91	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-81.9	-13	-174.3	-126.3	-92	0	0	0	115
239	F	46.3	Very low	42.9	Very low	198 Å²	198	154.6 Å²	154.6	87%	0.868	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-100.8	-1	-175.8	-82.2	-80.6	0	0	0	115	V237	V237-F239 PolarHBondContact O-N 3.5Å
240	L	49.5	Very low	42.8	Very low	147 Å²	147	155.3 Å²	155.3	77%	0.77	79%	0.79	S	S	*	*			trans	-108.1	104.8	-178.4	-83.2	155.2	0	0	0	111.8	S242	L240-S242 PolarHBondContact O-N 3.37Å
241	K	39.6	Very low	42.3	Very low	215 Å²	215	154 Å²	154	94%	0.935	79%	0.787	S	S	*	*			trans	-69.1	103.9	166.4	-106.4	176.1	176.2	173.9	0	109.5
242	S	38.4	Very low	42.1	Very low	106 Å²	106	152.1 Å²	152.1	74%	0.741	79%	0.786	S	S	*	*			trans	-74.9	129.1	164	61.7	0	0	0	0	110.7	L240	L240-S242 PolarHBondContact O-N 3.37Å
243	T	36.3	Very low	42	Very low	145 Å²	145	153.3 Å²	153.3	89%	0.89	78%	0.781	S	S	*	*			trans	-121	109.8	146.4	45.4	0	0	0	0	106.5
244	S	36.2	Very low	41.5	Very low	99 Å²	99	153.9 Å²	153.9	69%	0.692	78%	0.784	S	S	*	*			trans	-78.4	131	172.4	48.6	0	0	0	0	109.9
245	D	36.1	Very low	41	Very low	159 Å²	159	157.7 Å²	157.7	85%	0.85	79%	0.794	S	S	*	*			trans	-153.1	92.7	143.4	-97.6	-25.8	0	0	0	109.4
246	D	39.3	Very low	40.4	Very low	117 Å²	117	160 Å²	160	63%	0.626	80%	0.798	S	S	*	*			trans	36.5	118.5	131.2	-87.1	-5.9	0	0	0	122.3
247	K	38.6	Very low	39.1	Very low	164 Å²	164	160.7 Å²	160.7	71%	0.713	81%	0.808	S	S	*	*				86.9	129.4	127	-69.1	171.6	-179.2	130.7	0	119.8
248	K	37.7	Very low	38.2	Very low	186 Å²	186	165.2 Å²	165.2	81%	0.809	82%	0.82	S	S	*	*			trans	81.9	122.7	163.6	-61.2	173.8	179.9	179.1	0	113.5
249	D	35.3	Very low	37.6	Very low	151 Å²	151	160.8 Å²	160.8	81%	0.807	81%	0.812	S	S	*	*			cis	-152.7	142.5	20.6	-89.9	-41.4	0	0	0	111.2
250	K	37.3	Very low	37.1	Very low	195 Å²	195	162 Å²	162	85%	0.848	81%	0.811	S	S	*	*			trans	-73.7	133.9	166.1	-71.9	169.2	173.2	172.5	0	108.9
251	T	37.3	Very low	36.4	Very low	126 Å²	126	159.7 Å²	159.7	77%	0.773	81%	0.807	S	S	*	*			trans	168.3	141.3	131.3	33.9	0	0	0	0	110.2
252	K	33.2	Very low	36.1	Very low	194 Å²	194	155.8 Å²	155.8	84%	0.843	80%	0.801	S	S	*	*			trans	78.8	103.1	-179.7	-47.1	170.8	-174.8	179.7	0	111.2
253	I	38	Very low	35.9	Very low	166 Å²	166	159.7 Å²	159.7	85%	0.851	81%	0.805	S	S	*	*				-153.9	104.5	75.1	-73.1	144	0	0	0	108.7
254	K	34.6	Very low	36	Very low	202 Å²	202	161.1 Å²	161.1	88%	0.878	80%	0.798	S	S	*	*			trans	-120.9	134.9	150.5	-98	-177.1	175.6	178.3	0	104.1
255	K	33.3	Very low	36	Very low	197 Å²	197	165 Å²	165	86%	0.857	81%	0.806	S	S	*	*			trans	98.5	85	-178.8	-60	173.9	175.7	-178.7	0	114.9
256	I	34.9	Very low	36	Very low	176 Å²	176	165.6 Å²	165.6	90%	0.903	81%	0.808	S	S	*	*			trans	-144.8	77.7	130.9	-54.8	-176	0	0	0	106.3
257	A	35.6	Very low	35.7	Very low	94 Å²	94	171.7 Å²	171.7	78%	0.777	82%	0.822	S	S	*	*			trans	-144.3	124.8	161.7	0	0	0	0	0	104.6
258	K	36	Very low	35.4	Very low	201 Å²	201	168.4 Å²	168.4	87%	0.874	83%	0.826	S	S	*	*			trans	96	87.8	176.3	-155.3	173	-170.1	170.7	0	116.6
259	D	36.9	Very low	35.2	Very low	139 Å²	139	164.9 Å²	164.9	74%	0.743	82%	0.824	S	S	*	*			trans	-175.5	143.5	137.1	-101.6	-13.3	0	0	0	106.8
260	R	34.4	Very low	35.2	Very low	223 Å²	223	162.8 Å²	162.8	84%	0.842	82%	0.821	S	S	*	*			cis	-168.7	144.6	-15	-144.6	171.7	177.4	174.5	-2.9	104.1
261	S	35.5	Very low	35.1	Very low	98 Å²	98	160.3 Å²	160.3	69%	0.685	82%	0.817	S	S	*	*			trans	-69.9	164.5	177.9	49.8	0	0	0	0	113.3
262	T	33.2	Very low	35	Very low	134 Å²	134	160.5 Å²	160.5	82%	0.822	81%	0.812	S	S	*	*			trans	81.5	104.5	154.8	64.7	0	0	0	0	120.3
263	K	35.3	Very low	35.2	Very low	188 Å²	188	159.3 Å²	159.3	82%	0.817	81%	0.81	S	S	*	*				-153.7	113.2	127.9	-141.9	171.1	-174.9	176	0	112.2
264	K	37	Very low	35	Very low	174 Å²	174	159.6 Å²	159.6	76%	0.757	81%	0.813	S	S	*	*			trans	52.6	106	145.6	-74.2	177.5	168	-177.8	0	118
265	Q	35.9	Very low	35.1	Very low	182 Å²	182	153.4 Å²	153.4	85%	0.85	81%	0.807	S	S	*	*				46.5	102.5	83.1	-75.8	-174.6	-26.8	0	0	113.8
266	L	36.2	Very low	35.4	Very low	170 Å²	170	150.5 Å²	150.5	89%	0.89	81%	0.806	S	S	*	*				-173.3	133.4	128.7	-98.9	148.4	0	0	0	109.7
267	R	33.8	Very low	35.8	Very low	246 Å²	246	154.4 Å²	154.4	93%	0.928	81%	0.809	S	S	*	*			trans	94.5	73.7	173	-56.8	-176.2	174.9	-176.8	-1.7	116.6
268	A	32.9	Very low	36.7	Very low	95 Å²	95	154.8 Å²	154.8	79%	0.785	80%	0.802	S	S	*	*			trans	-87.4	135.2	139.9	0	0	0	0	0	108.4
269	S	32.8	Very low	37.6	Very low	111 Å²	111	150.7 Å²	150.7	78%	0.776	79%	0.794	S	S	*	*				160.9	139.8	123.4	57.1	0	0	0	0	111.7
270	S	35.2	Very low	38.4	Very low	107 Å²	107	149.3 Å²	149.3	75%	0.748	79%	0.785	S	S	*	*			trans	79.6	122.7	177.1	78.2	0	0	0	0	115.5
271	D	34.9	Very low	39.3	Very low	143 Å²	143	141.8 Å²	141.8	77%	0.765	76%	0.762	S	S	*	*			cis	175.7	151.5	-4.9	-116.5	-22.2	0	0	0	104.5
272	I	36	Very low	40.5	Very low	130 Å²	130	140.7 Å²	140.7	67%	0.667	76%	0.755	S	S	*	*			trans	87.5	121.1	146.3	-61	159.9	0	0	0	120.3
273	E	37.1	Very low	41.5	Very low	170 Å²	170	138.9 Å²	138.9	79%	0.794	73%	0.733	S	S	*	*			trans	76.8	105.6	146.9	-73.4	158.8	-165.1	0	0	122.7
274	D	33	Very low	42.2	Very low	171 Å²	171	132.8 Å²	132.8	91%	0.914	72%	0.724	S	S	*	*			trans	29.1	101.7	132.5	-66	-21	0	0	0	118.7
275	G	38.2	Very low	43	Very low	72 Å²	72	133.1 Å²	133.1	74%	0.742	72%	0.72	S	S	*	*			trans	-147	102.8	172.3	0	0	0	0	0	112.4
276	T	38.6	Very low	43.6	Very low	137 Å²	137	129.2 Å²	129.2	84%	0.84	71%	0.71	S	S	*	*			trans	-40.4	131.6	169.2	-40.5	0	0	0	0	112.3	T278	T276-T278 PolarHBondContact O-N 3.48Å
277	W	44	Very low	44.1	Very low	257 Å²	257	126.9 Å²	126.9	97%	0.973	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-53.5	122.6	178	-69.2	92	0	0	0	111.2
278	T	54	Low	44.9	Very low	103 Å²	103	122.9 Å²	122.9	63%	0.632	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-97.9	132.6	172.1	40	0	0	0	0	109.3	T276	T276-T278 PolarHBondContact O-N 3.48Å
279	T	53.9	Low	46	Very low	115 Å²	115	125.2 Å²	125.2	71%	0.706	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-71.1	129.2	169.8	34.9	0	0	0	0	109.1
280	I	55.2	Low	47.4	Very low	109 Å²	109	122.9 Å²	122.9	56%	0.559	67%	0.666	S	S	*	*	B	Isolated β-bridge	trans	-109.3	126.9	-173.8	-58.9	168.6	0	0	0	106.7
281	D	51.8	Low	48.7	Very low	66 Å²	66	122.6 Å²	122.6	35%	0.353	65%	0.653	S	S	.	*			trans	-57.8	163.6	174.8	-62.3	0.1	0	0	0	109.9	Y283 G284 R285 E287	D281-Y283 PolarHBondContact O-N 2.86Å; D281-G284 PolarHBondContact O-N 3.48Å; D281-R285 PolarHBondContact N-O 3.12Å; D281-E287 WeakPolarHBondContact OD1-CB 3.45Å; D281-E287 WeakPolarHBondContact OD1-CG 3.2Å
282	S	60.5	Low	50	Low	75 Å²	75	116.2 Å²	116.2	52%	0.524	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.8	-8	177.6	14.7	0	0	0	0	116.3	K36	K36-S282 WeakPolarHBondContact CE-O 3.44Å; K36-S282 PolarHBondContact NZ-O 3.31Å
283	Y	56.2	Low	51.4	Low	95 Å²	95	111 Å²	111	37%	0.373	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.1	7.9	179.5	-67.3	-73	0	0	0	116.2	K36 R37 I38 D281 R285	K36-Y283 WeakPolarHBondContact CB-OH 3.49Å; K36-Y283 PolarHBondContact O-OH 3.41Å; R37-Y283 WeakPolarHBondContact CA-OH 3.49Å; R37-Y283 PolarHBondContact N-OH 3.49Å; R37-Y283 PolarHBondContact O-OH 2.87Å; I38-Y283 HydrophobicContact CG1-CE1 4.2Å; I38-Y283 PolarHBondContact N-OH 3.08Å; D281-Y283 PolarHBondContact O-N 2.86Å; Y283-R285 PolarHBondContact O-N 3.28Å
284	G	49.7	Very low	52.8	Low	60 Å²	60	110.6 Å²	110.6	62%	0.619	59%	0.591	S	S	*	*	S	Bend	trans	75.4	5.9	178.7	0	0	0	0	0	114	D281	D281-G284 PolarHBondContact O-N 3.48Å
285	R	53.3	Low	53.9	Low	182 Å²	182	111.4 Å²	111.4	69%	0.687	59%	0.586	S	S	*	*			trans	-97	137.5	178.5	-64.3	-176.4	-174.7	-174.8	0.8	108.9	D281 Y283 E287	D281-R285 PolarHBondContact N-O 3.12Å; Y283-R285 PolarHBondContact O-N 3.28Å; R285-E287 PolarHBondContact O-N 2.64Å
286	P	47.4	Very low	54.8	Low	99 Å²	99	111.9 Å²	111.9	64%	0.643	59%	0.591	S	S	*	*	B	Isolated β-bridge	trans	-58.4	130.9	166	25.8	-30.9	0	0	0	107.7	I288	P286-I288 PolarHBondContact O-N 3.17Å
287	E	46.6	Very low	56.1	Low	122 Å²	122	109.1 Å²	109.1	57%	0.57	57%	0.568	S	S	*	*			trans	-45.8	127.8	173.6	-152.8	170.2	-161.5	0	0	108.4	D281 R285 Q289	D281-E287 WeakPolarHBondContact OD1-CB 3.45Å; D281-E287 WeakPolarHBondContact OD1-CG 3.2Å; R285-E287 PolarHBondContact O-N 2.64Å; E287-Q289 VanDerWaalsContact C-N 3.3Å; E287-Q289 PolarHBondContact O-N 2.93Å
288	I	51.9	Low	56.9	Low	162 Å²	162	104.2 Å²	104.2	83%	0.831	56%	0.556	S	S	*	*			trans	-66.9	93.2	-174.8	-59	171.3	0	0	0	107.8	P286 V290	P286-I288 PolarHBondContact O-N 3.17Å; I288-V290 PolarHBondContact O-N 3.11Å
289	Q	56.6	Low	57.5	Low	143 Å²	143	101.1 Å²	101.1	67%	0.668	54%	0.535	S	S	*	.			trans	-63.3	119	171.3	-67.5	180	-0.5	0	0	107.8	E287 Q291	E287-Q289 VanDerWaalsContact C-N 3.3Å; E287-Q289 PolarHBondContact O-N 2.93Å; Q289-Q291 PolarHBondContact O-N 2.82Å; Q289-Q291 VanDerWaalsContact O-N 3.1Å
290	V	61.7	Low	58.2	Low	62 Å²	62	100.1 Å²	100.1	38%	0.376	53%	0.526	S	S	.	.			trans	-59.7	114.7	172.9	-176.9	0	0	0	0	107.3	I288 L328 Q331	I288-V290 PolarHBondContact O-N 3.11Å; V290-L328 HydrophobicContact CG1-CD1 4.1Å; V290-L328 HydrophobicContact CG1-CD2 3.72Å; V290-L328 HydrophobicContact CG1-CG 3.9Å; V290-Q331 PolarHBondContact O-NE2 3.31Å; V290-Q331 PolarHBondContact O-OE1 3.44Å
291	Q	62.3	Low	58.9	Low	101 Å²	101	97.6 Å²	97.6	47%	0.472	51%	0.511	S	S	.	.			trans	-105.3	129.7	-179.9	-73.7	-178.8	-1.4	0	0	109.9	Q289 F293	Q289-Q291 PolarHBondContact O-N 2.82Å; Q289-Q291 VanDerWaalsContact O-N 3.1Å; Q291-F293 VanDerWaalsContact C-N 3.32Å; Q291-F293 PolarHBondContact O-N 2.75Å
292	A	61.6	Low	60.1	Low	9 Å²	9	98.4 Å²	98.4	7%	0.074	52%	0.515	C	S	.	.	S	Bend	trans	-69.7	-28.9	-177.2	0	0	0	0	0	113.7	K307 L328 Q331 V332	A292-K307 WeakPolarHBondContact O-CE 3.49Å; A292-L328 VanDerWaalsContact CA-CD2 3.43Å; A292-L328 HydrophobicContact CB-CD2 3.65Å; A292-Q331 HydrophobicContact CB-CB 4.1Å; A292-V332 HydrophobicContact CB-CG2 4.07Å
293	F	66.6	Low	61	Low	22 Å²	22	96.1 Å²	96.1	10%	0.096	50%	0.498	C	S	.	.	S	Bend	trans	-121.9	139.3	-179.3	-58.3	-80.5	0	0	0	109.6	Q291 V303 V304 K307 V332 K335	Q291-F293 VanDerWaalsContact C-N 3.32Å; Q291-F293 PolarHBondContact O-N 2.75Å; F293-V303 HydrophobicContact CE1-CG1 4.36Å; F293-V304 HydrophobicContact CE1-CG2 4.41Å; F293-V304 HydrophobicContact CZ-CG2 4.25Å; F293-K307 HydrophobicContact CD1-CG 4.49Å; F293-K307 HydrophobicContact CE1-CB 4.44Å; F293-K307 HydrophobicContact CE1-CG 4.1Å; F293-V332 HydrophobicContact CE2-CG2 4.09Å; F293-V332 HydrophobicContact CZ-CG2 4.11Å; F293-K335 HydrophobicContact CD2-CB 4.49Å; F293-K335 HydrophobicContact CD2-CG 3.78Å; F293-K335 HydrophobicContact CE2-CB 3.84Å; F293-K335 HydrophobicContact CE2-CG 3.59Å; F293-K335 HydrophobicContact CZ-CB 4.46Å
294	E	66	Low	62.2	Low	161 Å²	161	91.6 Å²	91.6	75%	0.752	48%	0.48	S	S	*	.			trans	-65.5	140.6	171	-65	-179.1	176.5	0	0	109.3	G296 Q297	E294-G296 PolarHBondContact O-N 3.46Å; E294-Q297 PolarHBondContact O-N 3.31Å
295	K	55.2	Low	63.7	Low	188 Å²	188	90.1 Å²	90.1	82%	0.817	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	106.2	177.9	-69	-174.9	178.9	-177.7	0	109.5
296	G	57.3	Low	65.1	Low	81 Å²	81	87.1 Å²	87.1	84%	0.835	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.9	1.2	177.5	0	0	0	0	0	116.2	E294	E294-G296 PolarHBondContact O-N 3.46Å
297	Q	66.7	Low	66.7	Low	80 Å²	80	85 Å²	85	37%	0.374	43%	0.432	S	S	.	.			trans	-77.4	123.4	174.5	-168.2	171.8	10.6	0	0	111.1	E294 I299 V303	E294-Q297 PolarHBondContact O-N 3.31Å; Q297-I299 PolarHBondContact O-N 3.08Å; Q297-V303 HydrophobicContact CG-CG1 4.48Å
298	E	60.4	Low	68.4	Low	153 Å²	153	79.2 Å²	79.2	72%	0.715	41%	0.405	S	S	*	.			trans	-63.3	121.5	172.9	-69	179.4	178.3	0	0	110.1	N300	E298-N300 PolarHBondContact O-N 2.84Å
299	I	67.5	Low	70	Confident	38 Å²	38	74.6 Å²	74.6	20%	0.195	38%	0.384	C	S	.	.			trans	-80.8	87.4	-174.1	-55	175.6	0	0	0	108.4	Q297 V304 K335	Q297-I299 PolarHBondContact O-N 3.08Å; I299-V304 HydrophobicContact CG2-CG2 3.55Å; I299-K335 HydrophobicContact CD1-CB 4.04Å; I299-K335 HydrophobicContact CD1-CD 3.68Å; I299-K335 HydrophobicContact CD1-CG 3.86Å
300	N	67.6	Low	71.4	Confident	94 Å²	94	73.1 Å²	73.1	50%	0.503	38%	0.377	S	S	.	.			trans	-94.1	154.4	173.4	-75.4	-30.1	0	0	0	111.4	E298 D302 V303 V304	E298-N300 PolarHBondContact O-N 2.84Å; N300-D302 VanDerWaalsContact C-N 3.29Å; N300-D302 PolarHBondContact O-N 3.32Å; N300-V303 HydrophobicContact CB-CG2 4.15Å; N300-V303 WeakPolarHBondContact O-CA 3.34Å; N300-V303 WeakPolarHBondContact O-CB 3.36Å; N300-V303 PolarHBondContact O-N 3.48Å; N300-V304 PolarHBondContact O-N 3.01Å; N300-V304 VanDerWaalsContact O-N 3.1Å
301	F	69.3	Low	72.4	Confident	56 Å²	56	70.7 Å²	70.7	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-48.8	-45.9	179.7	175	-99.3	0	0	0	113.6	V303 V304 V305 L341 L345 F404 E405	F301-V303 PolarHBondContact O-N 3.28Å; F301-V304 PolarHBondContact O-N 3.45Å; F301-V305 HydrophobicContact CE1-CG2 4.46Å; F301-V305 WeakPolarHBondContact O-CG2 3.18Å; F301-V305 PolarHBondContact O-N 2.99Å; F301-L341 HydrophobicContact CB-CD2 4.39Å; F301-L345 HydrophobicContact CD2-CD2 3.99Å; F301-L345 HydrophobicContact CE2-CB 4.35Å; F301-L345 HydrophobicContact CE2-CD2 4.28Å; F301-F404 HydrophobicContact CE2-CB 3.92Å; F301-F404 HydrophobicContact CZ-CB 3.48Å; F301-F404 VanDerWaalsContact CZ-CB 3.48Å; F301-E405 HydrophobicContact CE1-CB 4.26Å; F301-E405 HydrophobicContact CE1-CG 4.5Å; F301-E405 HydrophobicContact CZ-CB 3.91Å; F301-E405 HydrophobicContact CZ-CG 4.38Å
302	D	78.3	Confident	73.3	Confident	84 Å²	84	68.4 Å²	68.4	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-34.9	177.7	-178.6	40.7	0	0	0	112.7	N300 V305 K306	N300-D302 VanDerWaalsContact C-N 3.29Å; N300-D302 PolarHBondContact O-N 3.32Å; D302-V305 PolarHBondContact O-N 3.31Å; D302-K306 VanDerWaalsContact O-CB 3.3Å; D302-K306 WeakPolarHBondContact O-CB 3.18Å; D302-K306 VanDerWaalsContact O-CG 3.25Å; D302-K306 WeakPolarHBondContact O-CG 3.28Å; D302-K306 PolarHBondContact O-N 3.43Å; D302-K306 VanDerWaalsContact OD1-CE 3.27Å; D302-K306 WeakPolarHBondContact OD1-CE 3.41Å; D302-K306 IonicContact OD1-NZ 3.83Å; D302-K306 VanDerWaalsContact OD2-CE 3.26Å; D302-K306 WeakPolarHBondContact OD2-CE 3.43Å; D302-K306 IonicContact OD2-NZ 2.6Å; D302-K306 PolarHBondContact OD2-NZ 2.92Å
303	V	80.1	Confident	74.5	Confident	27 Å²	27	70.9 Å²	70.9	16%	0.164	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-41.6	177.2	179.7	0	0	0	0	110.4	F293 Q297 N300 F301 K306 K307	F293-V303 HydrophobicContact CE1-CG1 4.36Å; Q297-V303 HydrophobicContact CG-CG1 4.48Å; N300-V303 HydrophobicContact CB-CG2 4.15Å; N300-V303 WeakPolarHBondContact O-CA 3.34Å; N300-V303 WeakPolarHBondContact O-CB 3.36Å; N300-V303 PolarHBondContact O-N 3.48Å; F301-V303 PolarHBondContact O-N 3.28Å; V303-K306 PolarHBondContact O-N 2.96Å; V303-K307 WeakPolarHBondContact O-CB 3.34Å; V303-K307 PolarHBondContact O-N 3.01Å
304	V	79.6	Confident	75.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-68.1	-41.9	177.8	-179.3	0	0	0	0	111.2	F293 I299 N300 F301 K307 M308 V332 I336 L341 L345	F293-V304 HydrophobicContact CE1-CG2 4.41Å; F293-V304 HydrophobicContact CZ-CG2 4.25Å; I299-V304 HydrophobicContact CG2-CG2 3.55Å; N300-V304 PolarHBondContact O-N 3.01Å; N300-V304 VanDerWaalsContact O-N 3.1Å; F301-V304 PolarHBondContact O-N 3.45Å; V304-K307 PolarHBondContact O-N 3.41Å; V304-M308 VanDerWaalsContact O-CB 3.29Å; V304-M308 WeakPolarHBondContact O-CB 3.42Å; V304-M308 PolarHBondContact O-N 3.17Å; V304-V332 HydrophobicContact CG1-CG1 3.9Å; V304-I336 HydrophobicContact CG1-CD1 3.86Å; V304-I336 HydrophobicContact CG1-CG1 3.92Å; V304-L341 HydrophobicContact CB-CD2 4.16Å; V304-L341 HydrophobicContact CG2-CD2 3.78Å; V304-L345 HydrophobicContact CB-CD2 3.98Å; V304-L345 HydrophobicContact CG1-CD2 3.68Å; V304-L345 HydrophobicContact CG1-CG 4.38Å
305	V	81.1	Confident	76	Confident	29 Å²	29	68.2 Å²	68.2	18%	0.176	36%	0.361	C	S	.	.	H	α-helix	trans	-62.4	-42.9	174.6	173.4	0	0	0	0	111.2	F301 D302 M308 T309 L345	F301-V305 HydrophobicContact CE1-CG2 4.46Å; F301-V305 WeakPolarHBondContact O-CG2 3.18Å; F301-V305 PolarHBondContact O-N 2.99Å; D302-V305 PolarHBondContact O-N 3.31Å; V305-M308 HydrophobicContact CG1-CE 4.47Å; V305-M308 PolarHBondContact O-N 2.89Å; V305-T309 WeakPolarHBondContact O-CG2 3.41Å; V305-T309 PolarHBondContact O-N 3.12Å; V305-T309 PolarHBondContact O-OG1 3.47Å; V305-L345 HydrophobicContact CG2-CD1 3.61Å; V305-L345 HydrophobicContact CG2-CD2 4.38Å
306	K	84.1	Confident	77	Confident	119 Å²	119	62.5 Å²	62.5	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-44.3	174.8	-77.5	170.6	177.1	165.5	0	112	D302 V303 T309 E310	D302-K306 VanDerWaalsContact O-CB 3.3Å; D302-K306 WeakPolarHBondContact O-CB 3.18Å; D302-K306 VanDerWaalsContact O-CG 3.25Å; D302-K306 WeakPolarHBondContact O-CG 3.28Å; D302-K306 PolarHBondContact O-N 3.43Å; D302-K306 VanDerWaalsContact OD1-CE 3.27Å; D302-K306 WeakPolarHBondContact OD1-CE 3.41Å; D302-K306 IonicContact OD1-NZ 3.83Å; D302-K306 VanDerWaalsContact OD2-CE 3.26Å; D302-K306 WeakPolarHBondContact OD2-CE 3.43Å; D302-K306 IonicContact OD2-NZ 2.6Å; D302-K306 PolarHBondContact OD2-NZ 2.92Å; V303-K306 PolarHBondContact O-N 2.96Å; K306-T309 WeakPolarHBondContact CA-OG1 3.49Å; K306-T309 PolarHBondContact O-N 3.33Å; K306-T309 PolarHBondContact O-OG1 3.19Å; K306-E310 WeakPolarHBondContact O-CB 3.32Å; K306-E310 PolarHBondContact O-N 2.95Å
307	K	80.5	Confident	78.3	Confident	54 Å²	54	65 Å²	65	24%	0.235	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-40.7	176.7	-84	-62.8	-179.1	-163.9	0	112.7	A292 F293 V303 V304 E310 I311	A292-K307 WeakPolarHBondContact O-CE 3.49Å; F293-K307 HydrophobicContact CD1-CG 4.49Å; F293-K307 HydrophobicContact CE1-CB 4.44Å; F293-K307 HydrophobicContact CE1-CG 4.1Å; V303-K307 WeakPolarHBondContact O-CB 3.34Å; V303-K307 PolarHBondContact O-N 3.01Å; V304-K307 PolarHBondContact O-N 3.41Å; K307-E310 WeakPolarHBondContact CD-OE2 3.37Å; K307-E310 IonicContact NZ-OE1 3.9Å; K307-E310 PolarHBondContact NZ-OE1 3.44Å; K307-E310 IonicContact NZ-OE2 2.97Å; K307-E310 PolarHBondContact NZ-OE2 3.38Å; K307-E310 PolarHBondContact O-N 2.96Å; K307-I311 WeakPolarHBondContact O-CD1 3.4Å; K307-I311 VanDerWaalsContact O-CG1 3.24Å; K307-I311 WeakPolarHBondContact O-CG1 3.44Å; K307-I311 PolarHBondContact O-N 3.48Å
308	M	82.3	Confident	78.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.9	-45.9	173.7	178.4	-170	65.7	0	0	111.5	V304 V305 I311 L312 L345 K348 V349	V304-M308 VanDerWaalsContact O-CB 3.29Å; V304-M308 WeakPolarHBondContact O-CB 3.42Å; V304-M308 PolarHBondContact O-N 3.17Å; V305-M308 HydrophobicContact CG1-CE 4.47Å; V305-M308 PolarHBondContact O-N 2.89Å; M308-I311 PolarHBondContact O-N 3.13Å; M308-L312 HydrophobicContact CG-CD1 4.12Å; M308-L312 WeakPolarHBondContact O-CB 3.4Å; M308-L312 WeakPolarHBondContact O-CG 3.44Å; M308-L312 PolarHBondContact O-N 3.05Å; M308-L345 HydrophobicContact CE-CD1 4.32Å; M308-L345 HydrophobicContact SD-CD1 4.38Å; M308-K348 HydrophobicContact CE-CD 3.76Å; M308-K348 HydrophobicContact CE-CG 4.15Å; M308-K348 HydrophobicContact SD-CB 4.42Å; M308-K348 HydrophobicContact SD-CD 4.13Å; M308-K348 HydrophobicContact SD-CG 3.82Å; M308-V349 HydrophobicContact CG-CG2 4.27Å; M308-V349 HydrophobicContact SD-CG2 3.74Å
309	T	84.5	Confident	79.4	Confident	66 Å²	66	68.6 Å²	68.6	41%	0.405	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-34.9	178.5	50.6	0	0	0	0	112.3	V305 K306 L312 A313	V305-T309 WeakPolarHBondContact O-CG2 3.41Å; V305-T309 PolarHBondContact O-N 3.12Å; V305-T309 PolarHBondContact O-OG1 3.47Å; K306-T309 WeakPolarHBondContact CA-OG1 3.49Å; K306-T309 PolarHBondContact O-N 3.33Å; K306-T309 PolarHBondContact O-OG1 3.19Å; T309-L312 PolarHBondContact O-N 3.08Å; T309-A313 VanDerWaalsContact O-CB 3.26Å; T309-A313 WeakPolarHBondContact O-CB 3.46Å; T309-A313 PolarHBondContact O-N 3.49Å
310	E	86.5	Confident	79.9	Confident	111 Å²	111	68.4 Å²	68.4	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-47.6	171.4	-173.5	-173.3	162.3	0	0	111.7	K306 K307 A313 S314	K306-E310 WeakPolarHBondContact O-CB 3.32Å; K306-E310 PolarHBondContact O-N 2.95Å; K307-E310 WeakPolarHBondContact CD-OE2 3.37Å; K307-E310 IonicContact NZ-OE1 3.9Å; K307-E310 PolarHBondContact NZ-OE1 3.44Å; K307-E310 IonicContact NZ-OE2 2.97Å; K307-E310 PolarHBondContact NZ-OE2 3.38Å; K307-E310 PolarHBondContact O-N 2.96Å; E310-A313 PolarHBondContact O-N 2.88Å; E310-S314 PolarHBondContact O-N 3.1Å; E310-S314 VanDerWaalsContact O-N 3.08Å
311	I	83.4	Confident	80.3	Confident	11 Å²	11	66.3 Å²	66.3	6%	0.056	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-46.4	177.2	-65.5	162.8	0	0	0	110.1	K307 M308 A313 S314 R315 L328 L329 V332	K307-I311 WeakPolarHBondContact O-CD1 3.4Å; K307-I311 VanDerWaalsContact O-CG1 3.24Å; K307-I311 WeakPolarHBondContact O-CG1 3.44Å; K307-I311 PolarHBondContact O-N 3.48Å; M308-I311 PolarHBondContact O-N 3.13Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 3.37Å; I311-S314 WeakPolarHBondContact O-CB 3.26Å; I311-S314 PolarHBondContact O-N 3.44Å; I311-S314 PolarHBondContact O-OG 3.37Å; I311-R315 PolarHBondContact O-N 2.94Å; I311-L328 HydrophobicContact CD1-CB 4.06Å; I311-L329 HydrophobicContact CB-CD2 4.41Å; I311-L329 HydrophobicContact CD1-CD2 3.99Å; I311-L329 HydrophobicContact CD1-CG 4.49Å; I311-L329 HydrophobicContact CG2-CD1 4.23Å; I311-L329 HydrophobicContact CG2-CD2 3.92Å; I311-L329 HydrophobicContact CG2-CG 3.92Å; I311-V332 HydrophobicContact CD1-CG2 4.06Å
312	L	81.9	Confident	80.7	Confident	53 Å²	53	65.1 Å²	65.1	28%	0.277	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-35.4	176.9	-73.7	172.9	0	0	0	112.6	M308 T309 S314 R315 A352	M308-L312 HydrophobicContact CG-CD1 4.12Å; M308-L312 WeakPolarHBondContact O-CB 3.4Å; M308-L312 WeakPolarHBondContact O-CG 3.44Å; M308-L312 PolarHBondContact O-N 3.05Å; T309-L312 PolarHBondContact O-N 3.08Å; L312-S314 PolarHBondContact O-N 2.91Å; L312-R315 WeakPolarHBondContact O-CB 3.47Å; L312-R315 PolarHBondContact O-N 3.25Å; L312-A352 HydrophobicContact CD1-CB 4.25Å; L312-A352 HydrophobicContact CD2-CB 3.88Å; L312-A352 HydrophobicContact CG-CB 4.35Å
313	A	85.3	Confident	80.8	Confident	61 Å²	61	63.7 Å²	63.7	50%	0.504	37%	0.37	S	S	.	.	H	α-helix	trans	-71.7	-17	174.9	0	0	0	0	0	113.1	T309 E310 I311 K317	T309-A313 VanDerWaalsContact O-CB 3.26Å; T309-A313 WeakPolarHBondContact O-CB 3.46Å; T309-A313 PolarHBondContact O-N 3.49Å; E310-A313 PolarHBondContact O-N 2.88Å; I311-A313 VanDerWaalsContact C-N 3.32Å; I311-A313 PolarHBondContact O-N 3.37Å; A313-K317 WeakPolarHBondContact O-CE 3.26Å; A313-K317 PolarHBondContact O-NZ 3.36Å
314	S	83.5	Confident	80.9	Confident	33 Å²	33	65.7 Å²	65.7	23%	0.231	38%	0.38	C	S	.	.	H	α-helix	trans	-84.9	-15.8	172.4	80.7	0	0	0	0	113.2	E310 I311 L312 G316 K317 A320 Q325	E310-S314 PolarHBondContact O-N 3.1Å; E310-S314 VanDerWaalsContact O-N 3.08Å; I311-S314 WeakPolarHBondContact O-CB 3.26Å; I311-S314 PolarHBondContact O-N 3.44Å; I311-S314 PolarHBondContact O-OG 3.37Å; L312-S314 PolarHBondContact O-N 2.91Å; S314-G316 PolarHBondContact O-N 3.18Å; S314-K317 PolarHBondContact O-N 2.65Å; S314-A320 WeakPolarHBondContact O-CB 3.27Å; S314-Q325 VanDerWaalsContact C-NE2 3.29Å; S314-Q325 PolarHBondContact O-NE2 3.4Å; S314-Q325 VanDerWaalsContact O-NE2 3.13Å; S314-Q325 PolarHBondContact OG-NE2 2.66Å
315	R	80.1	Confident	81.1	Confident	95 Å²	95	66 Å²	66	36%	0.358	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	132.5	178.8	-170.4	-178.4	171.1	-164.7	-2.2	111.1	I311 L312 K317 S355 D359	I311-R315 PolarHBondContact O-N 2.94Å; L312-R315 WeakPolarHBondContact O-CB 3.47Å; L312-R315 PolarHBondContact O-N 3.25Å; R315-K317 VanDerWaalsContact C-N 3.29Å; R315-K317 PolarHBondContact O-N 2.87Å; R315-S355 PolarHBondContact NH2-O 3.37Å; R315-D359 WeakPolarHBondContact CG-OD2 3.35Å; R315-D359 IonicContact CZ-OD1 2.89Å; R315-D359 IonicContact CZ-OD2 2.84Å; R315-D359 VanDerWaalsContact NE-CG 3.34Å; R315-D359 IonicContact NE-OD1 2.66Å; R315-D359 IonicContact NE-OD2 2.68Å; R315-D359 PolarHBondContact NE-OD2 3.48Å; R315-D359 VanDerWaalsContact NH2-CG 3.33Å; R315-D359 IonicContact NH2-OD1 3.95Å; R315-D359 PolarHBondContact NH2-OD1 3.11Å; R315-D359 IonicContact NH2-OD2 3.9Å; R315-D359 PolarHBondContact NH2-OD2 3.2Å
316	G	78.2	Confident	81.2	Confident	68 Å²	68	64.9 Å²	64.9	70%	0.701	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-1.8	176.2	0	0	0	0	0	116.7	S314	S314-G316 PolarHBondContact O-N 3.18Å
317	K	83.4	Confident	81.2	Confident	133 Å²	133	62.2 Å²	62.2	58%	0.578	37%	0.368	S	S	*	.			trans	-74	135.3	174.9	-68.2	-179.6	178.2	159.9	0	110.5	A313 S314 R315 G319 A320	A313-K317 WeakPolarHBondContact O-CE 3.26Å; A313-K317 PolarHBondContact O-NZ 3.36Å; S314-K317 PolarHBondContact O-N 2.65Å; R315-K317 VanDerWaalsContact C-N 3.29Å; R315-K317 PolarHBondContact O-N 2.87Å; K317-G319 PolarHBondContact O-N 2.95Å; K317-A320 HydrophobicContact CB-CB 4.36Å; K317-A320 PolarHBondContact O-N 2.93Å
318	K	75.9	Confident	81.4	Confident	224 Å²	224	61.2 Å²	61.2	97%	0.974	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.6	-173.7	-167.6	173.2	-179.3	176.1	0	115.2
319	G	75.2	Confident	81.5	Confident	84 Å²	84	61.2 Å²	61.2	87%	0.866	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-0.4	179	0	0	0	0	0	115.7	K317	K317-G319 PolarHBondContact O-N 2.95Å
320	A	76.3	Confident	81.4	Confident	34 Å²	34	60.9 Å²	60.9	28%	0.281	36%	0.359	S	S	.	.			trans	-88.1	128.7	179.4	0	0	0	0	0	110.4	S314 K317	S314-A320 WeakPolarHBondContact O-CB 3.27Å; K317-A320 HydrophobicContact CB-CB 4.36Å; K317-A320 PolarHBondContact O-N 2.93Å
321	S	77.3	Confident	81.2	Confident	50 Å²	50	57.5 Å²	57.5	35%	0.35	34%	0.343	S	S	.	.			trans	-79.4	124.1	175.1	-171.9	0	0	0	0	110.2	S323 D324 Q325	S321-S323 VanDerWaalsContact C-N 3.3Å; S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-OG 3.33Å; S321-D324 WeakPolarHBondContact CB-OD2 3.34Å; S321-D324 PolarHBondContact O-N 2.85Å; S321-Q325 WeakPolarHBondContact O-CG 3.48Å; S321-Q325 PolarHBondContact O-N 3.03Å
322	T	76.7	Confident	81.1	Confident	32 Å²	32	57 Å²	57	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-32.5	176.3	46	0	0	0	0	111.8	D324 Q325 I326	T322-D324 VanDerWaalsContact C-N 3.31Å; T322-D324 PolarHBondContact O-N 3.42Å; T322-Q325 PolarHBondContact O-N 3.34Å; T322-I326 WeakPolarHBondContact O-CD1 3.42Å; T322-I326 VanDerWaalsContact O-CG1 3.26Å; T322-I326 WeakPolarHBondContact O-CG1 3.3Å; T322-I326 PolarHBondContact O-N 2.95Å; T322-I326 VanDerWaalsContact O-N 3.1Å
323	S	80.7	Confident	81.1	Confident	54 Å²	54	54.8 Å²	54.8	38%	0.378	33%	0.329	S	S	.	.	H	α-helix	trans	-61.1	-41.7	174.3	58.8	0	0	0	0	111.8	S321 I326 V327	S321-S323 VanDerWaalsContact C-N 3.3Å; S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-OG 3.33Å; S323-I326 PolarHBondContact O-N 3.44Å; S323-V327 WeakPolarHBondContact O-CG2 3.5Å; S323-V327 PolarHBondContact O-N 2.83Å; S323-V327 VanDerWaalsContact O-N 3.08Å
324	D	83.1	Confident	81	Confident	69 Å²	69	57 Å²	57	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-73.7	-36.7	-175.3	-56.9	-0.7	0	0	0	109.8	S321 T322 I326 V327 L328	S321-D324 WeakPolarHBondContact CB-OD2 3.34Å; S321-D324 PolarHBondContact O-N 2.85Å; T322-D324 VanDerWaalsContact C-N 3.31Å; T322-D324 PolarHBondContact O-N 3.42Å; D324-I326 VanDerWaalsContact C-N 3.34Å; D324-I326 PolarHBondContact O-N 2.87Å; D324-V327 PolarHBondContact O-N 2.94Å; D324-L328 VanDerWaalsContact O-CB 3.28Å; D324-L328 WeakPolarHBondContact O-CB 3.24Å; D324-L328 WeakPolarHBondContact O-CG 3.43Å; D324-L328 PolarHBondContact O-N 3Å
325	Q	82.8	Confident	80.7	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.028	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-40.8	172.1	-70.6	174.3	-7.1	0	0	112.1	S314 S321 T322 L329 V356	S314-Q325 VanDerWaalsContact C-NE2 3.29Å; S314-Q325 PolarHBondContact O-NE2 3.4Å; S314-Q325 VanDerWaalsContact O-NE2 3.13Å; S314-Q325 PolarHBondContact OG-NE2 2.66Å; S321-Q325 WeakPolarHBondContact O-CG 3.48Å; S321-Q325 PolarHBondContact O-N 3.03Å; T322-Q325 PolarHBondContact O-N 3.34Å; Q325-L329 WeakPolarHBondContact O-CB 3.3Å; Q325-L329 VanDerWaalsContact O-CG 3.3Å; Q325-L329 WeakPolarHBondContact O-CG 3.29Å; Q325-L329 PolarHBondContact O-N 3.45Å; Q325-V356 HydrophobicContact CB-CG1 3.86Å
326	I	83.3	Confident	80.6	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-47.7	175.9	-67.7	163.5	0	0	0	110.2	T322 S323 D324 L329 M330 F353 V356 L357 Y360 L371	T322-I326 WeakPolarHBondContact O-CD1 3.42Å; T322-I326 VanDerWaalsContact O-CG1 3.26Å; T322-I326 WeakPolarHBondContact O-CG1 3.3Å; T322-I326 PolarHBondContact O-N 2.95Å; T322-I326 VanDerWaalsContact O-N 3.1Å; S323-I326 PolarHBondContact O-N 3.44Å; D324-I326 VanDerWaalsContact C-N 3.34Å; D324-I326 PolarHBondContact O-N 2.87Å; I326-L329 PolarHBondContact O-N 3.16Å; I326-M330 HydrophobicContact CG2-SD 4.3Å; I326-M330 WeakPolarHBondContact O-CG 3.25Å; I326-M330 PolarHBondContact O-N 3.34Å; I326-F353 HydrophobicContact CG2-CE2 3.87Å; I326-F353 HydrophobicContact CG2-CZ 4.48Å; I326-V356 HydrophobicContact CG1-CG1 3.95Å; I326-L357 HydrophobicContact CD1-CD2 3.81Å; I326-L357 HydrophobicContact CG1-CD2 3.97Å; I326-L357 HydrophobicContact CG2-CD2 4.1Å; I326-Y360 HydrophobicContact CD1-CD2 4.42Å; I326-L371 HydrophobicContact CD1-CD2 4.46Å
327	V	85	Confident	80.6	Confident	64 Å²	64	55.7 Å²	55.7	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-43.2	179.2	174.1	0	0	0	0	111.4	S323 D324 L329 M330 Q331	S323-V327 WeakPolarHBondContact O-CG2 3.5Å; S323-V327 PolarHBondContact O-N 2.83Å; S323-V327 VanDerWaalsContact O-N 3.08Å; D324-V327 PolarHBondContact O-N 2.94Å; V327-L329 PolarHBondContact O-N 3.43Å; V327-M330 PolarHBondContact O-N 3.28Å; V327-Q331 WeakPolarHBondContact O-CG 3.5Å; V327-Q331 PolarHBondContact O-N 2.88Å
328	L	83.9	Confident	80.3	Confident	32 Å²	32	55.2 Å²	55.2	17%	0.168	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-45.2	175.5	-77.6	169.6	0	0	0	111.8	V290 A292 I311 D324 Q331 V332	V290-L328 HydrophobicContact CG1-CD1 4.1Å; V290-L328 HydrophobicContact CG1-CD2 3.72Å; V290-L328 HydrophobicContact CG1-CG 3.9Å; A292-L328 VanDerWaalsContact CA-CD2 3.43Å; A292-L328 HydrophobicContact CB-CD2 3.65Å; I311-L328 HydrophobicContact CD1-CB 4.06Å; D324-L328 VanDerWaalsContact O-CB 3.28Å; D324-L328 WeakPolarHBondContact O-CB 3.24Å; D324-L328 WeakPolarHBondContact O-CG 3.43Å; D324-L328 PolarHBondContact O-N 3Å; L328-Q331 PolarHBondContact O-N 3.47Å; L328-V332 VanDerWaalsContact O-CG2 3.32Å; L328-V332 WeakPolarHBondContact O-CG2 3.22Å; L328-V332 PolarHBondContact O-N 2.76Å
329	L	83.7	Confident	79.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-34.6	177.8	-72.5	172.9	0	0	0	112.6	I311 Q325 I326 V327 V332 E333 F353 V356	I311-L329 HydrophobicContact CB-CD2 4.41Å; I311-L329 HydrophobicContact CD1-CD2 3.99Å; I311-L329 HydrophobicContact CD1-CG 4.49Å; I311-L329 HydrophobicContact CG2-CD1 4.23Å; I311-L329 HydrophobicContact CG2-CD2 3.92Å; I311-L329 HydrophobicContact CG2-CG 3.92Å; Q325-L329 WeakPolarHBondContact O-CB 3.3Å; Q325-L329 VanDerWaalsContact O-CG 3.3Å; Q325-L329 WeakPolarHBondContact O-CG 3.29Å; Q325-L329 PolarHBondContact O-N 3.45Å; I326-L329 PolarHBondContact O-N 3.16Å; V327-L329 PolarHBondContact O-N 3.43Å; L329-V332 PolarHBondContact O-N 2.68Å; L329-E333 PolarHBondContact O-N 3.2Å; L329-F353 HydrophobicContact CB-CD2 3.9Å; L329-V356 HydrophobicContact CD1-CB 3.95Å; L329-V356 HydrophobicContact CD1-CG1 4.32Å; L329-V356 HydrophobicContact CD1-CG2 3.73Å
330	M	83.9	Confident	79.7	Confident	60 Å²	60	50.3 Å²	50.3	30%	0.296	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-44.4	172.3	-74	179	62.6	0	0	111.5	I326 V327 V332 E333 E334 F353	I326-M330 HydrophobicContact CG2-SD 4.3Å; I326-M330 WeakPolarHBondContact O-CG 3.25Å; I326-M330 PolarHBondContact O-N 3.34Å; V327-M330 PolarHBondContact O-N 3.28Å; M330-V332 VanDerWaalsContact C-N 3.32Å; M330-V332 PolarHBondContact O-N 2.73Å; M330-E333 WeakPolarHBondContact O-CB 3.45Å; M330-E333 PolarHBondContact O-N 3.34Å; M330-E334 WeakPolarHBondContact O-CG 3.24Å; M330-E334 PolarHBondContact O-N 3.1Å; M330-F353 HydrophobicContact CG-CE2 3.66Å; M330-F353 HydrophobicContact CG-CZ 3.96Å
331	Q	81.7	Confident	79.3	Confident	40 Å²	40	50 Å²	50	19%	0.187	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-37.8	175.7	-69.8	172.5	2.6	0	0	112	V290 A292 V327 L328 E334 K335	V290-Q331 PolarHBondContact O-NE2 3.31Å; V290-Q331 PolarHBondContact O-OE1 3.44Å; A292-Q331 HydrophobicContact CB-CB 4.1Å; V327-Q331 WeakPolarHBondContact O-CG 3.5Å; V327-Q331 PolarHBondContact O-N 2.88Å; L328-Q331 PolarHBondContact O-N 3.47Å; Q331-E334 PolarHBondContact O-N 2.93Å; Q331-K335 WeakPolarHBondContact O-CB 3.36Å; Q331-K335 WeakPolarHBondContact O-CG 3.23Å; Q331-K335 PolarHBondContact O-N 3.21Å
332	V	82.1	Confident	79	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-41.1	173.7	173.2	0	0	0	0	110.9	A292 F293 V304 I311 L328 L329 M330 K335 I336 V349	A292-V332 HydrophobicContact CB-CG2 4.07Å; F293-V332 HydrophobicContact CE2-CG2 4.09Å; F293-V332 HydrophobicContact CZ-CG2 4.11Å; V304-V332 HydrophobicContact CG1-CG1 3.9Å; I311-V332 HydrophobicContact CD1-CG2 4.06Å; L328-V332 VanDerWaalsContact O-CG2 3.32Å; L328-V332 WeakPolarHBondContact O-CG2 3.22Å; L328-V332 PolarHBondContact O-N 2.76Å; L329-V332 PolarHBondContact O-N 2.68Å; M330-V332 VanDerWaalsContact C-N 3.32Å; M330-V332 PolarHBondContact O-N 2.73Å; V332-K335 PolarHBondContact O-N 3.15Å; V332-I336 HydrophobicContact CG1-CD1 3.89Å; V332-I336 WeakPolarHBondContact O-CD1 3.06Å; V332-I336 VanDerWaalsContact O-CG1 3.24Å; V332-I336 WeakPolarHBondContact O-CG1 3.49Å; V332-I336 PolarHBondContact O-N 3.3Å; V332-V349 HydrophobicContact CG1-CG1 4.14Å; V332-V349 HydrophobicContact CG1-CG2 4.12Å
333	E	81.8	Confident	78.8	Confident	7 Å²	7	53.7 Å²	53.7	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-45.9	175	-164.4	-160	154.4	0	0	111.7	L329 M330 I336 K337 H346 L350 R381	L329-E333 PolarHBondContact O-N 3.2Å; M330-E333 WeakPolarHBondContact O-CB 3.45Å; M330-E333 PolarHBondContact O-N 3.34Å; E333-I336 PolarHBondContact O-N 3.17Å; E333-K337 PolarHBondContact O-N 3.11Å; E333-K337 VanDerWaalsContact O-N 3.15Å; E333-K337 VanDerWaalsContact OE1-CE 3.23Å; E333-K337 WeakPolarHBondContact OE1-CE 3.23Å; E333-K337 IonicContact OE1-NZ 3.34Å; E333-K337 PolarHBondContact OE1-NZ 2.96Å; E333-H346 VanDerWaalsContact CG-CE1 3.49Å; E333-H346 WeakPolarHBondContact CG-CE1 3.26Å; E333-H346 IonicContact OE1-CE1 2.97Å; E333-L350 HydrophobicContact CG-CD2 4.36Å; E333-R381 IonicContact OE1-CZ 3.5Å; E333-R381 IonicContact OE1-NH1 2.97Å; E333-R381 PolarHBondContact OE1-NH1 2.89Å; E333-R381 IonicContact OE2-CZ 3.74Å; E333-R381 IonicContact OE2-NH1 2.61Å; E333-R381 PolarHBondContact OE2-NH1 2.61Å
334	E	82.7	Confident	78.5	Confident	107 Å²	107	51.1 Å²	51.1	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-45.1	177	-75.1	174.8	-178.2	0	0	111.5	M330 Q331 I336 K337 E338	M330-E334 WeakPolarHBondContact O-CG 3.24Å; M330-E334 PolarHBondContact O-N 3.1Å; Q331-E334 PolarHBondContact O-N 2.93Å; E334-I336 VanDerWaalsContact C-N 3.33Å; E334-I336 PolarHBondContact O-N 3.45Å; E334-K337 PolarHBondContact O-N 3.33Å; E334-E338 WeakPolarHBondContact O-CG 3.5Å; E334-E338 PolarHBondContact O-N 3.25Å
335	K	76.8	Confident	78.3	Confident	66 Å²	66	47.8 Å²	47.8	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-32.6	176.8	-70.3	-46.1	-176.5	-173.6	0	113.8	F293 I299 Q331 V332 K337 E338 C339	F293-K335 HydrophobicContact CD2-CB 4.49Å; F293-K335 HydrophobicContact CD2-CG 3.78Å; F293-K335 HydrophobicContact CE2-CB 3.84Å; F293-K335 HydrophobicContact CE2-CG 3.59Å; F293-K335 HydrophobicContact CZ-CB 4.46Å; I299-K335 HydrophobicContact CD1-CB 4.04Å; I299-K335 HydrophobicContact CD1-CD 3.68Å; I299-K335 HydrophobicContact CD1-CG 3.86Å; Q331-K335 WeakPolarHBondContact O-CB 3.36Å; Q331-K335 WeakPolarHBondContact O-CG 3.23Å; Q331-K335 PolarHBondContact O-N 3.21Å; V332-K335 PolarHBondContact O-N 3.15Å; K335-K337 VanDerWaalsContact C-N 3.34Å; K335-E338 WeakPolarHBondContact CD-OE2 3.08Å; K335-E338 IonicContact NZ-OE1 2.61Å; K335-E338 IonicContact NZ-OE2 2.71Å; K335-E338 PolarHBondContact NZ-OE2 3.28Å; K335-C339 WeakPolarHBondContact O-CB 3.18Å; K335-C339 PolarHBondContact O-N 3.46Å; K335-C339 VanDerWaalsContact O-N 3.12Å
336	I	78.2	Confident	78.2	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-39.1	174	-71.1	164	0	0	0	111	V304 V332 E333 E334 D340 L341 L345 H346 V349	V304-I336 HydrophobicContact CG1-CD1 3.86Å; V304-I336 HydrophobicContact CG1-CG1 3.92Å; V332-I336 HydrophobicContact CG1-CD1 3.89Å; V332-I336 WeakPolarHBondContact O-CD1 3.06Å; V332-I336 VanDerWaalsContact O-CG1 3.24Å; V332-I336 WeakPolarHBondContact O-CG1 3.49Å; V332-I336 PolarHBondContact O-N 3.3Å; E333-I336 PolarHBondContact O-N 3.17Å; E334-I336 VanDerWaalsContact C-N 3.33Å; E334-I336 PolarHBondContact O-N 3.45Å; I336-D340 PolarHBondContact O-N 3.16Å; I336-L341 HydrophobicContact CG2-CB 4.13Å; I336-L341 PolarHBondContact O-N 2.87Å; I336-L345 HydrophobicContact CD1-CD2 4.46Å; I336-L345 HydrophobicContact CD1-CG 4.27Å; I336-H346 HydrophobicContact CG2-CB 3.79Å; I336-V349 HydrophobicContact CD1-CB 4.04Å; I336-V349 HydrophobicContact CD1-CG1 4.33Å; I336-V349 HydrophobicContact CD1-CG2 3.52Å
337	K	77.7	Confident	78.2	Confident	99 Å²	99	48.1 Å²	48.1	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-70.6	-39.5	176.4	-69.5	179.5	-173.5	169.2	0	112.5	E333 E334 K335 C339	E333-K337 PolarHBondContact O-N 3.11Å; E333-K337 VanDerWaalsContact O-N 3.15Å; E333-K337 VanDerWaalsContact OE1-CE 3.23Å; E333-K337 WeakPolarHBondContact OE1-CE 3.23Å; E333-K337 IonicContact OE1-NZ 3.34Å; E333-K337 PolarHBondContact OE1-NZ 2.96Å; E334-K337 PolarHBondContact O-N 3.33Å; K335-K337 VanDerWaalsContact C-N 3.34Å; K337-C339 VanDerWaalsContact C-N 3.31Å; K337-C339 PolarHBondContact O-N 3.2Å
338	E	78.1	Confident	78.1	Confident	122 Å²	122	46.3 Å²	46.3	57%	0.57	22%	0.224	S	C	*	.	H	α-helix	trans	-65	-36	177.8	-75.7	178.3	-174.5	0	0	112.5	E334 K335	E334-E338 WeakPolarHBondContact O-CG 3.5Å; E334-E338 PolarHBondContact O-N 3.25Å; K335-E338 WeakPolarHBondContact CD-OE2 3.08Å; K335-E338 IonicContact NZ-OE1 2.61Å; K335-E338 IonicContact NZ-OE2 2.71Å; K335-E338 PolarHBondContact NZ-OE2 3.28Å
339	C	67.7	Low	78.2	Confident	59 Å²	59	44.9 Å²	44.9	40%	0.399	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.9	-175.6	-64.5	0	0	0	0	113.8	K335 K337 L341	K335-C339 WeakPolarHBondContact O-CB 3.18Å; K335-C339 PolarHBondContact O-N 3.46Å; K335-C339 VanDerWaalsContact O-N 3.12Å; K337-C339 VanDerWaalsContact C-N 3.31Å; K337-C339 PolarHBondContact O-N 3.2Å; C339-L341 HydrophobicContact CB-CD1 3.29Å; C339-L341 PolarHBondContact O-N 3.33Å; C339-L341 VanDerWaalsContact O-N 3.11Å
340	D	69.2	Low	78.3	Confident	147 Å²	147	44.9 Å²	44.9	79%	0.786	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.5	43.2	-174.9	-77.7	-33.2	0	0	0	113.1	I336	I336-D340 PolarHBondContact O-N 3.16Å
341	L	69.2	Low	78.4	Confident	26 Å²	26	42.5 Å²	42.5	14%	0.136	20%	0.204	C	C	.	.			trans	-65.4	159.3	178.2	-101.4	75.3	0	0	0	111	F301 V304 I336 C339 R343 L345	F301-L341 HydrophobicContact CB-CD2 4.39Å; V304-L341 HydrophobicContact CB-CD2 4.16Å; V304-L341 HydrophobicContact CG2-CD2 3.78Å; I336-L341 HydrophobicContact CG2-CB 4.13Å; I336-L341 PolarHBondContact O-N 2.87Å; C339-L341 HydrophobicContact CB-CD1 3.29Å; C339-L341 PolarHBondContact O-N 3.33Å; C339-L341 VanDerWaalsContact O-N 3.11Å; L341-R343 PolarHBondContact O-N 3.25Å; L341-L345 HydrophobicContact CD2-CD2 3.79Å
342	S	69.9	Low	78.5	Confident	27 Å²	27	40.9 Å²	40.9	19%	0.189	20%	0.198	C	C	.	.			trans	-38.6	126.4	-179.4	172.3	0	0	0	0	112.7	G344 L345 H346 F404 Y409	S342-G344 PolarHBondContact O-N 3.29Å; S342-G344 VanDerWaalsContact O-N 3.16Å; S342-G344 PolarHBondContact OG-N 3.28Å; S342-L345 VanDerWaalsContact O-CB 3.31Å; S342-L345 WeakPolarHBondContact O-CB 3.39Å; S342-L345 PolarHBondContact O-N 3.26Å; S342-H346 PolarHBondContact O-N 3.45Å; S342-F404 WeakPolarHBondContact CB-O 3.34Å; S342-F404 PolarHBondContact OG-O 3.36Å; S342-Y409 VanDerWaalsContact OG-CE1 3.27Å; S342-Y409 WeakPolarHBondContact OG-CE1 3.44Å
343	R	73.7	Confident	78.7	Confident	133 Å²	133	41 Å²	41	50%	0.502	20%	0.198	S	C	.	.	H	α-helix	trans	-61.4	-28	-177.6	-56.2	-178.1	-179.9	-176.7	-5.6	112.4	L341 L345 H346 V347 E388 I389	L341-R343 PolarHBondContact O-N 3.25Å; R343-L345 VanDerWaalsContact C-N 3.32Å; R343-L345 PolarHBondContact O-N 3.45Å; R343-H346 WeakPolarHBondContact O-CB 3.35Å; R343-H346 PolarHBondContact O-N 2.84Å; R343-V347 WeakPolarHBondContact O-CG2 3.46Å; R343-V347 PolarHBondContact O-N 2.92Å; R343-E388 IonicContact NH1-OE2 3.71Å; R343-I389 HydrophobicContact CB-CD1 3.34Å; R343-I389 HydrophobicContact CB-CG1 4.43Å; R343-I389 HydrophobicContact CG-CD1 4.1Å
344	G	74.9	Confident	78.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-36.3	173.4	0	0	0	0	0	113	S342 K348 I411	S342-G344 PolarHBondContact O-N 3.29Å; S342-G344 VanDerWaalsContact O-N 3.16Å; S342-G344 PolarHBondContact OG-N 3.28Å; G344-K348 PolarHBondContact O-N 2.81Å; G344-K348 VanDerWaalsContact O-N 3.16Å; G344-I411 VanDerWaalsContact O-CD1 3.22Å; G344-I411 WeakPolarHBondContact O-CD1 3.29Å
345	L	78	Confident	79.1	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-41.3	173.8	-175.7	63.2	0	0	0	111	F301 V304 V305 M308 I336 L341 S342 R343 V347 K348 V349	F301-L345 HydrophobicContact CD2-CD2 3.99Å; F301-L345 HydrophobicContact CE2-CB 4.35Å; F301-L345 HydrophobicContact CE2-CD2 4.28Å; V304-L345 HydrophobicContact CB-CD2 3.98Å; V304-L345 HydrophobicContact CG1-CD2 3.68Å; V304-L345 HydrophobicContact CG1-CG 4.38Å; V305-L345 HydrophobicContact CG2-CD1 3.61Å; V305-L345 HydrophobicContact CG2-CD2 4.38Å; M308-L345 HydrophobicContact CE-CD1 4.32Å; M308-L345 HydrophobicContact SD-CD1 4.38Å; I336-L345 HydrophobicContact CD1-CD2 4.46Å; I336-L345 HydrophobicContact CD1-CG 4.27Å; L341-L345 HydrophobicContact CD2-CD2 3.79Å; S342-L345 VanDerWaalsContact O-CB 3.31Å; S342-L345 WeakPolarHBondContact O-CB 3.39Å; S342-L345 PolarHBondContact O-N 3.26Å; R343-L345 VanDerWaalsContact C-N 3.32Å; R343-L345 PolarHBondContact O-N 3.45Å; L345-V347 VanDerWaalsContact C-N 3.34Å; L345-V347 PolarHBondContact O-N 3.43Å; L345-K348 PolarHBondContact O-N 2.93Å; L345-V349 WeakPolarHBondContact O-CG2 3.49Å; L345-V349 PolarHBondContact O-N 3.2Å
346	H	81.5	Confident	79.4	Confident	17 Å²	17	34 Å²	34	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-46	177	-170.5	38.5	0	0	0	111.8	E333 I336 S342 R343 K348 V349 L350 L385	E333-H346 VanDerWaalsContact CG-CE1 3.49Å; E333-H346 WeakPolarHBondContact CG-CE1 3.26Å; E333-H346 IonicContact OE1-CE1 2.97Å; I336-H346 HydrophobicContact CG2-CB 3.79Å; S342-H346 PolarHBondContact O-N 3.45Å; R343-H346 WeakPolarHBondContact O-CB 3.35Å; R343-H346 PolarHBondContact O-N 2.84Å; H346-K348 PolarHBondContact O-N 3.24Å; H346-V349 PolarHBondContact O-N 2.94Å; H346-L350 WeakPolarHBondContact O-CG 3.48Å; H346-L350 PolarHBondContact O-N 3.38Å; H346-L385 WeakPolarHBondContact CD2-CD1 3.38Å; H346-L385 VanDerWaalsContact NE2-CD1 3.34Å; H346-L385 WeakPolarHBondContact NE2-CD1 3.34Å
347	V	83.2	Confident	79.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-42.7	175.9	173	0	0	0	0	111.8	R343 L345 L350 F351 L382 L385 L386 I391 I411	R343-V347 WeakPolarHBondContact O-CG2 3.46Å; R343-V347 PolarHBondContact O-N 2.92Å; L345-V347 VanDerWaalsContact C-N 3.34Å; L345-V347 PolarHBondContact O-N 3.43Å; V347-L350 PolarHBondContact O-N 3.3Å; V347-F351 HydrophobicContact CG1-CD2 3.73Å; V347-F351 HydrophobicContact CG1-CE2 3.43Å; V347-F351 VanDerWaalsContact CG1-CE2 3.43Å; V347-F351 VanDerWaalsContact O-CD2 3.23Å; V347-F351 WeakPolarHBondContact O-CD2 3.49Å; V347-F351 PolarHBondContact O-N 2.94Å; V347-L382 HydrophobicContact CG1-CD1 3.96Å; V347-L385 HydrophobicContact CG2-CB 4.19Å; V347-L386 HydrophobicContact CG1-CD2 4.19Å; V347-I391 HydrophobicContact CB-CD1 3.89Å; V347-I391 HydrophobicContact CG1-CD1 3.91Å; V347-I391 HydrophobicContact CG2-CD1 3.46Å; V347-I391 VanDerWaalsContact CG2-CD1 3.46Å; V347-I411 HydrophobicContact CB-CD1 3.74Å; V347-I411 HydrophobicContact CG1-CD1 3.62Å
348	K	82.5	Confident	80	Confident	27 Å²	27	30 Å²	30	12%	0.117	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-39.6	177.5	-175.6	166.5	173.1	172.6	0	112.6	M308 G344 L345 H346 L350 F351 A352 E402 F404 I411	M308-K348 HydrophobicContact CE-CD 3.76Å; M308-K348 HydrophobicContact CE-CG 4.15Å; M308-K348 HydrophobicContact SD-CB 4.42Å; M308-K348 HydrophobicContact SD-CD 4.13Å; M308-K348 HydrophobicContact SD-CG 3.82Å; G344-K348 PolarHBondContact O-N 2.81Å; G344-K348 VanDerWaalsContact O-N 3.16Å; L345-K348 PolarHBondContact O-N 2.93Å; H346-K348 PolarHBondContact O-N 3.24Å; K348-L350 VanDerWaalsContact C-N 3.32Å; K348-L350 PolarHBondContact O-N 2.91Å; K348-F351 PolarHBondContact O-N 3.2Å; K348-A352 WeakPolarHBondContact O-CB 3.48Å; K348-A352 PolarHBondContact O-N 3Å; K348-E402 IonicContact NZ-OE1 2.75Å; K348-E402 PolarHBondContact NZ-OE1 2.92Å; K348-E402 IonicContact NZ-OE2 3.46Å; K348-E402 PolarHBondContact NZ-OE2 3.5Å; K348-F404 HydrophobicContact CB-CE1 4.09Å; K348-F404 HydrophobicContact CD-CD1 4.28Å; K348-F404 HydrophobicContact CD-CE1 3.21Å; K348-F404 HydrophobicContact CD-CE2 4.23Å; K348-F404 HydrophobicContact CD-CZ 3.19Å; K348-F404 HydrophobicContact CG-CE1 4.24Å; K348-F404 VanDerWaalsContact NZ-CZ 3.26Å; K348-I411 HydrophobicContact CB-CG2 4.21Å; K348-I411 HydrophobicContact CG-CG2 4.44Å
349	V	85.2	Confident	80	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-39.1	174.3	173.2	0	0	0	0	111.1	M308 V332 I336 L345 H346 A352 F353	M308-V349 HydrophobicContact CG-CG2 4.27Å; M308-V349 HydrophobicContact SD-CG2 3.74Å; V332-V349 HydrophobicContact CG1-CG1 4.14Å; V332-V349 HydrophobicContact CG1-CG2 4.12Å; I336-V349 HydrophobicContact CD1-CB 4.04Å; I336-V349 HydrophobicContact CD1-CG1 4.33Å; I336-V349 HydrophobicContact CD1-CG2 3.52Å; L345-V349 WeakPolarHBondContact O-CG2 3.49Å; L345-V349 PolarHBondContact O-N 3.2Å; H346-V349 PolarHBondContact O-N 2.94Å; V349-A352 WeakPolarHBondContact O-CB 3.49Å; V349-A352 PolarHBondContact O-N 3.4Å; V349-F353 VanDerWaalsContact O-CB 3.26Å; V349-F353 WeakPolarHBondContact O-CB 3.42Å; V349-F353 PolarHBondContact O-N 3.27Å
350	L	85.6	Confident	80.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-41.3	174.3	-72.4	173.3	0	0	0	112.5	E333 H346 V347 K348 A352 F353 I354 L382 L385	E333-L350 HydrophobicContact CG-CD2 4.36Å; H346-L350 WeakPolarHBondContact O-CG 3.48Å; H346-L350 PolarHBondContact O-N 3.38Å; V347-L350 PolarHBondContact O-N 3.3Å; K348-L350 VanDerWaalsContact C-N 3.32Å; K348-L350 PolarHBondContact O-N 2.91Å; L350-A352 PolarHBondContact O-N 3.39Å; L350-F353 WeakPolarHBondContact O-CB 3.41Å; L350-F353 PolarHBondContact O-N 2.92Å; L350-I354 VanDerWaalsContact O-CG1 3.28Å; L350-I354 WeakPolarHBondContact O-CG1 3.26Å; L350-I354 PolarHBondContact O-N 3.18Å; L350-L382 HydrophobicContact CB-CD1 4.02Å; L350-L382 HydrophobicContact CD1-CB 4.45Å; L350-L382 HydrophobicContact CD1-CD1 4.36Å; L350-L385 HydrophobicContact CD1-CD1 3.28Å
351	F	85.9	Confident	79.9	Confident	10 Å²	10	18.6 Å²	18.6	4%	0.044	9%	0.088	C	C	.	.	H	α-helix	trans	-62.1	-42	172.5	-80.3	-63	0	0	0	112.5	V347 K348 F353 S355 L382 L393 I411 A413 I415 V418	V347-F351 HydrophobicContact CG1-CD2 3.73Å; V347-F351 HydrophobicContact CG1-CE2 3.43Å; V347-F351 VanDerWaalsContact CG1-CE2 3.43Å; V347-F351 VanDerWaalsContact O-CD2 3.23Å; V347-F351 WeakPolarHBondContact O-CD2 3.49Å; V347-F351 PolarHBondContact O-N 2.94Å; K348-F351 PolarHBondContact O-N 3.2Å; F351-F353 VanDerWaalsContact C-N 3.35Å; F351-S355 WeakPolarHBondContact O-CB 3.47Å; F351-S355 PolarHBondContact O-N 2.87Å; F351-S355 PolarHBondContact O-OG 2.92Å; F351-L382 HydrophobicContact CD1-CD2 4.22Å; F351-L382 HydrophobicContact CD2-CD1 4.37Å; F351-L382 HydrophobicContact CE1-CD1 4.48Å; F351-L382 HydrophobicContact CE1-CD2 3.78Å; F351-L382 HydrophobicContact CE2-CD1 4.11Å; F351-L382 HydrophobicContact CZ-CD1 4.16Å; F351-L382 HydrophobicContact CZ-CD2 4.1Å; F351-L393 HydrophobicContact CE2-CD2 3.82Å; F351-L393 HydrophobicContact CZ-CD2 4.02Å; F351-I411 HydrophobicContact CD2-CG2 4.32Å; F351-A413 HydrophobicContact CB-CB 4.35Å; F351-A413 HydrophobicContact CD1-CB 3.8Å; F351-A413 HydrophobicContact CD2-CB 3.6Å; F351-A413 HydrophobicContact CE1-CB 3.89Å; F351-A413 HydrophobicContact CE2-CB 3.68Å; F351-A413 HydrophobicContact CG-CB 3.66Å; F351-A413 HydrophobicContact CZ-CB 3.83Å; F351-I415 HydrophobicContact CE1-CG1 3.86Å; F351-I415 HydrophobicContact CZ-CD1 4.35Å; F351-I415 HydrophobicContact CZ-CG1 3.55Å; F351-V418 HydrophobicContact CD1-CG2 4.29Å
352	A	84.9	Confident	79.7	Confident	6 Å²	6	25.1 Å²	25.1	5%	0.05	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-42.7	175.1	0	0	0	0	0	111.4	L312 K348 V349 L350 S355 V356	L312-A352 HydrophobicContact CD1-CB 4.25Å; L312-A352 HydrophobicContact CD2-CB 3.88Å; L312-A352 HydrophobicContact CG-CB 4.35Å; K348-A352 WeakPolarHBondContact O-CB 3.48Å; K348-A352 PolarHBondContact O-N 3Å; V349-A352 WeakPolarHBondContact O-CB 3.49Å; V349-A352 PolarHBondContact O-N 3.4Å; L350-A352 PolarHBondContact O-N 3.39Å; A352-S355 PolarHBondContact O-N 2.6Å; A352-V356 WeakPolarHBondContact O-CG2 3.39Å; A352-V356 PolarHBondContact O-N 2.78Å
353	F	86.2	Confident	79.4	Confident	3 Å²	3	32.1 Å²	32.1	1%	0.013	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-51.4	176.5	-179.6	-116	0	0	0	111.6	I326 L329 M330 V349 L350 F351 S355 V356 L357 A378	I326-F353 HydrophobicContact CG2-CE2 3.87Å; I326-F353 HydrophobicContact CG2-CZ 4.48Å; L329-F353 HydrophobicContact CB-CD2 3.9Å; M330-F353 HydrophobicContact CG-CE2 3.66Å; M330-F353 HydrophobicContact CG-CZ 3.96Å; V349-F353 VanDerWaalsContact O-CB 3.26Å; V349-F353 WeakPolarHBondContact O-CB 3.42Å; V349-F353 PolarHBondContact O-N 3.27Å; L350-F353 WeakPolarHBondContact O-CB 3.41Å; L350-F353 PolarHBondContact O-N 2.92Å; F351-F353 VanDerWaalsContact C-N 3.35Å; F353-S355 VanDerWaalsContact C-N 3.3Å; F353-S355 PolarHBondContact O-N 3.01Å; F353-V356 PolarHBondContact O-N 3.31Å; F353-L357 HydrophobicContact CD1-CD1 3.81Å; F353-L357 HydrophobicContact CE1-CD1 3.48Å; F353-L357 VanDerWaalsContact CE1-CD1 3.48Å; F353-L357 HydrophobicContact CE1-CG 4.4Å; F353-L357 HydrophobicContact CE2-CD1 4.3Å; F353-L357 HydrophobicContact CE2-CD2 4.48Å; F353-L357 HydrophobicContact CE2-CG 4.4Å; F353-L357 HydrophobicContact CG-CD1 4.36Å; F353-L357 HydrophobicContact CZ-CD1 3.76Å; F353-L357 HydrophobicContact CZ-CD2 4.34Å; F353-L357 HydrophobicContact CZ-CG 4.29Å; F353-L357 WeakPolarHBondContact O-CG 3.46Å; F353-L357 PolarHBondContact O-N 2.97Å; F353-A378 HydrophobicContact CD1-CB 3.81Å; F353-A378 HydrophobicContact CE1-CB 3.77Å
354	I	86.6	Confident	78.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-41.2	177.1	-65	164.3	0	0	0	110.9	L350 V356 L357 F358 A378 F379 L382 V418	L350-I354 VanDerWaalsContact O-CG1 3.28Å; L350-I354 WeakPolarHBondContact O-CG1 3.26Å; L350-I354 PolarHBondContact O-N 3.18Å; I354-V356 VanDerWaalsContact C-N 3.33Å; I354-V356 PolarHBondContact O-N 3.5Å; I354-L357 PolarHBondContact O-N 3.28Å; I354-F358 HydrophobicContact CG2-CD2 3.77Å; I354-F358 HydrophobicContact CG2-CE2 3.27Å; I354-F358 HydrophobicContact CG2-CZ 4.08Å; I354-F358 WeakPolarHBondContact O-CD2 3.32Å; I354-F358 PolarHBondContact O-N 2.93Å; I354-F358 VanDerWaalsContact O-N 3.11Å; I354-A378 HydrophobicContact CD1-CB 4.4Å; I354-A378 HydrophobicContact CG1-CB 3.96Å; I354-F379 HydrophobicContact CD1-CD1 4.21Å; I354-F379 HydrophobicContact CD1-CE1 4.19Å; I354-F379 HydrophobicContact CD1-CG 4.45Å; I354-F379 HydrophobicContact CD1-CZ 4.38Å; I354-F379 HydrophobicContact CG2-CE1 4.42Å; I354-F379 HydrophobicContact CG2-CE2 3.95Å; I354-F379 HydrophobicContact CG2-CZ 3.71Å; I354-L382 HydrophobicContact CD1-CD2 3.77Å; I354-V418 HydrophobicContact CB-CG1 4.26Å; I354-V418 HydrophobicContact CG2-CG1 3.37Å
355	S	85.3	Confident	78.4	Confident	31 Å²	31	36.8 Å²	36.8	22%	0.217	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-37.5	177.5	-59.7	0	0	0	0	113.1	R315 F351 A352 F353 D359	R315-S355 PolarHBondContact NH2-O 3.37Å; F351-S355 WeakPolarHBondContact O-CB 3.47Å; F351-S355 PolarHBondContact O-N 2.87Å; F351-S355 PolarHBondContact O-OG 2.92Å; A352-S355 PolarHBondContact O-N 2.6Å; F353-S355 VanDerWaalsContact C-N 3.3Å; F353-S355 PolarHBondContact O-N 3.01Å; S355-D359 PolarHBondContact O-N 3.3Å
356	V	84.4	Confident	78	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-74.6	-33.4	176.5	171.2	0	0	0	0	111.4	Q325 I326 L329 A352 F353 I354 F358 D359 Y360	Q325-V356 HydrophobicContact CB-CG1 3.86Å; I326-V356 HydrophobicContact CG1-CG1 3.95Å; L329-V356 HydrophobicContact CD1-CB 3.95Å; L329-V356 HydrophobicContact CD1-CG1 4.32Å; L329-V356 HydrophobicContact CD1-CG2 3.73Å; A352-V356 WeakPolarHBondContact O-CG2 3.39Å; A352-V356 PolarHBondContact O-N 2.78Å; F353-V356 PolarHBondContact O-N 3.31Å; I354-V356 VanDerWaalsContact C-N 3.33Å; I354-V356 PolarHBondContact O-N 3.5Å; V356-F358 VanDerWaalsContact C-N 3.34Å; V356-F358 PolarHBondContact O-N 3.26Å; V356-D359 WeakPolarHBondContact O-CB 3.4Å; V356-D359 PolarHBondContact O-N 3.19Å; V356-Y360 PolarHBondContact O-N 3.43Å
357	L	84.6	Confident	77.8	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-43.5	173.8	-72.4	171.1	0	0	0	111.5	I326 F353 I354 D359 Y360 L371 T375	I326-L357 HydrophobicContact CD1-CD2 3.81Å; I326-L357 HydrophobicContact CG1-CD2 3.97Å; I326-L357 HydrophobicContact CG2-CD2 4.1Å; F353-L357 HydrophobicContact CD1-CD1 3.81Å; F353-L357 HydrophobicContact CE1-CD1 3.48Å; F353-L357 VanDerWaalsContact CE1-CD1 3.48Å; F353-L357 HydrophobicContact CE1-CG 4.4Å; F353-L357 HydrophobicContact CE2-CD1 4.3Å; F353-L357 HydrophobicContact CE2-CD2 4.48Å; F353-L357 HydrophobicContact CE2-CG 4.4Å; F353-L357 HydrophobicContact CG-CD1 4.36Å; F353-L357 HydrophobicContact CZ-CD1 3.76Å; F353-L357 HydrophobicContact CZ-CD2 4.34Å; F353-L357 HydrophobicContact CZ-CG 4.29Å; F353-L357 WeakPolarHBondContact O-CG 3.46Å; F353-L357 PolarHBondContact O-N 2.97Å; I354-L357 PolarHBondContact O-N 3.28Å; L357-D359 VanDerWaalsContact C-N 3.3Å; L357-D359 PolarHBondContact O-N 3.43Å; L357-Y360 VanDerWaalsContact O-CB 3.23Å; L357-Y360 WeakPolarHBondContact O-CB 3.29Å; L357-Y360 PolarHBondContact O-N 2.95Å; L357-L371 HydrophobicContact CD2-CD2 4.47Å; L357-T375 HydrophobicContact CB-CG2 3.7Å; L357-T375 HydrophobicContact CD1-CG2 3.57Å; L357-T375 HydrophobicContact CG-CG2 4.14Å
358	F	82.8	Confident	77.6	Confident	17 Å²	17	41.7 Å²	41.7	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-27	175.7	-68.3	-51.9	0	0	0	113.6	I354 V356 Y360 D361 M367 F379 V418 L421 L422 E425	I354-F358 HydrophobicContact CG2-CD2 3.77Å; I354-F358 HydrophobicContact CG2-CE2 3.27Å; I354-F358 HydrophobicContact CG2-CZ 4.08Å; I354-F358 WeakPolarHBondContact O-CD2 3.32Å; I354-F358 PolarHBondContact O-N 2.93Å; I354-F358 VanDerWaalsContact O-N 3.11Å; V356-F358 VanDerWaalsContact C-N 3.34Å; V356-F358 PolarHBondContact O-N 3.26Å; F358-Y360 PolarHBondContact O-N 2.98Å; F358-D361 VanDerWaalsContact O-CB 3.31Å; F358-D361 WeakPolarHBondContact O-CB 3.42Å; F358-D361 PolarHBondContact O-N 2.98Å; F358-M367 HydrophobicContact CD1-CE 4Å; F358-M367 HydrophobicContact CE1-CE 3.95Å; F358-F379 HydrophobicContact CE2-CE2 4.49Å; F358-F379 HydrophobicContact CE2-CZ 4.17Å; F358-F379 HydrophobicContact CZ-CE2 4.03Å; F358-F379 HydrophobicContact CZ-CZ 4.01Å; F358-V418 HydrophobicContact CE2-CG1 4.09Å; F358-L421 HydrophobicContact CD2-CB 4.13Å; F358-L421 HydrophobicContact CD2-CD1 4.2Å; F358-L421 HydrophobicContact CE1-CB 4.33Å; F358-L421 HydrophobicContact CE2-CB 3.86Å; F358-L421 HydrophobicContact CG-CB 4.46Å; F358-L421 HydrophobicContact CZ-CB 3.99Å; F358-L422 HydrophobicContact CZ-CB 4.01Å; F358-E425 HydrophobicContact CD1-CG 3.71Å; F358-E425 HydrophobicContact CE1-CB 4.26Å; F358-E425 HydrophobicContact CE1-CG 3.71Å
359	D	78.9	Confident	77.4	Confident	22 Å²	22	42.3 Å²	42.3	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-18.7	176.1	-93.2	16.4	0	0	0	113.7	R315 S355 V356 L357 D361 K362	R315-D359 WeakPolarHBondContact CG-OD2 3.35Å; R315-D359 IonicContact CZ-OD1 2.89Å; R315-D359 IonicContact CZ-OD2 2.84Å; R315-D359 VanDerWaalsContact NE-CG 3.34Å; R315-D359 IonicContact NE-OD1 2.66Å; R315-D359 IonicContact NE-OD2 2.68Å; R315-D359 PolarHBondContact NE-OD2 3.48Å; R315-D359 VanDerWaalsContact NH2-CG 3.33Å; R315-D359 IonicContact NH2-OD1 3.95Å; R315-D359 PolarHBondContact NH2-OD1 3.11Å; R315-D359 IonicContact NH2-OD2 3.9Å; R315-D359 PolarHBondContact NH2-OD2 3.2Å; S355-D359 PolarHBondContact O-N 3.3Å; V356-D359 WeakPolarHBondContact O-CB 3.4Å; V356-D359 PolarHBondContact O-N 3.19Å; L357-D359 VanDerWaalsContact C-N 3.3Å; L357-D359 PolarHBondContact O-N 3.43Å; D359-D361 PolarHBondContact O-N 3.26Å; D359-K362 PolarHBondContact O-N 3.28Å; D359-K362 IonicContact OD1-NZ 3.61Å
360	Y	72	Confident	77.3	Confident	48 Å²	48	48 Å²	48	19%	0.188	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.6	-30.1	173.3	-172.3	-92.4	0	0	0	111.6	I326 V356 L357 F358 K362 H364 L371	I326-Y360 HydrophobicContact CD1-CD2 4.42Å; V356-Y360 PolarHBondContact O-N 3.43Å; L357-Y360 VanDerWaalsContact O-CB 3.23Å; L357-Y360 WeakPolarHBondContact O-CB 3.29Å; L357-Y360 PolarHBondContact O-N 2.95Å; F358-Y360 PolarHBondContact O-N 2.98Å; Y360-K362 VanDerWaalsContact C-N 3.28Å; Y360-K362 PolarHBondContact O-N 3.32Å; Y360-H364 AromaticContact CE1-CD2 3.77Å; Y360-L371 HydrophobicContact CD1-CD1 3.36Å; Y360-L371 HydrophobicContact CD2-CD1 4.14Å; Y360-L371 HydrophobicContact CE1-CD1 3.25Å; Y360-L371 HydrophobicContact CE2-CD1 4.06Å; Y360-L371 HydrophobicContact CG-CD1 3.82Å
361	D	62.9	Low	77.1	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.102	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-68.5	-18.5	-174.4	-163.8	52	0	0	0	113.8	F358 D359 K363 H364 E425 K428	F358-D361 VanDerWaalsContact O-CB 3.31Å; F358-D361 WeakPolarHBondContact O-CB 3.42Å; F358-D361 PolarHBondContact O-N 2.98Å; D359-D361 PolarHBondContact O-N 3.26Å; D361-K363 PolarHBondContact O-N 3.39Å; D361-H364 PolarHBondContact O-N 3.24Å; D361-H364 VanDerWaalsContact O-N 3.16Å; D361-H364 VanDerWaalsContact OD1-O 3.13Å; D361-E425 VanDerWaalsContact OD2-OE1 3.08Å; D361-K428 IonicContact OD2-NZ 4Å; D361-K428 PolarHBondContact OD2-NZ 2.99Å
362	K	65.3	Low	77.1	Confident	163 Å²	163	48.5 Å²	48.5	71%	0.709	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-62.5	-12.2	-176.7	-67	-178.9	-177.2	168.7	0	115	D359 Y360	D359-K362 PolarHBondContact O-N 3.28Å; D359-K362 IonicContact OD1-NZ 3.61Å; Y360-K362 VanDerWaalsContact C-N 3.28Å; Y360-K362 PolarHBondContact O-N 3.32Å
363	K	62.2	Low	77.1	Confident	174 Å²	174	50.7 Å²	50.7	76%	0.757	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-110.1	-16	179.8	-68.1	-176.3	-178.5	175.5	0	114.3	D361	D361-K363 PolarHBondContact O-N 3.39Å
364	H	60.8	Low	77.1	Confident	91 Å²	91	56 Å²	56	42%	0.421	28%	0.276	S	S	.	.	S	Bend	trans	-128.7	141.9	-173.3	-66.4	-66.3	0	0	0	108.6	Y360 D361 C366	Y360-H364 AromaticContact CE1-CD2 3.77Å; D361-H364 PolarHBondContact O-N 3.24Å; D361-H364 VanDerWaalsContact O-N 3.16Å; D361-H364 VanDerWaalsContact OD1-O 3.13Å; H364-C366 PolarHBondContact O-N 3.29Å; H364-C366 VanDerWaalsContact O-N 3.15Å
365	D	67.6	Low	77	Confident	141 Å²	141	56 Å²	56	75%	0.754	28%	0.276	S	S	*	.	S	Bend	trans	-68.5	-13.7	-178.2	-58.9	-42.1	0	0	0	112.8	N432	D365-N432 VanDerWaalsContact C-ND2 3.33Å; D365-N432 PolarHBondContact O-ND2 3.09Å
366	C	69.8	Low	77.1	Confident	37 Å²	37	54.5 Å²	54.5	25%	0.25	27%	0.265	C	S	.	.	S	Bend	trans	-152.3	154.4	172.5	56.3	0	0	0	0	113.3	H364 V429 N432	H364-C366 PolarHBondContact O-N 3.29Å; H364-C366 VanDerWaalsContact O-N 3.15Å; C366-V429 HydrophobicContact CB-CG2 4.36Å; C366-N432 HydrophobicContact CB-CB 4.4Å; C366-N432 VanDerWaalsContact CB-ND2 3.33Å; C366-N432 WeakPolarHBondContact CB-ND2 3.44Å
367	M	76.6	Confident	77.4	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	28%	0.283	C	S	.	.			trans	-65.6	136.5	167.4	-75.4	-161.4	-80.7	0	0	113.4	F358 F372 T375 E425	F358-M367 HydrophobicContact CD1-CE 4Å; F358-M367 HydrophobicContact CE1-CE 3.95Å; M367-F372 HydrophobicContact CE-CD2 3.9Å; M367-F372 HydrophobicContact CE-CE2 4.42Å; M367-T375 HydrophobicContact CE-CG2 4.4Å; M367-T375 HydrophobicContact SD-CG2 4.11Å; M367-E425 HydrophobicContact CE-CB 3.44Å; M367-E425 VanDerWaalsContact CE-CB 3.44Å; M367-E425 HydrophobicContact CE-CG 3.58Å
368	N	79.5	Confident	77.5	Confident	82 Å²	82	57.7 Å²	57.7	44%	0.439	28%	0.282	S	S	.	.			trans	-62	147.1	171.2	-70.8	-27.4	0	0	0	111.3	N370 L371 F372	N368-N370 VanDerWaalsContact C-N 3.26Å; N368-N370 PolarHBondContact O-N 3.16Å; N368-N370 VanDerWaalsContact O-N 3.16Å; N368-L371 HydrophobicContact CB-CD1 4.3Å; N368-L371 HydrophobicContact CB-CG 4.44Å; N368-L371 PolarHBondContact O-N 2.76Å; N368-F372 PolarHBondContact O-N 2.59Å
369	S	79.3	Confident	77.7	Confident	40 Å²	40	57 Å²	57	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-50	-45.7	-178.7	-152.7	0	0	0	0	112.9	L371 F372 D373 R443	S369-L371 VanDerWaalsContact C-N 3.3Å; S369-L371 PolarHBondContact O-N 2.83Å; S369-F372 PolarHBondContact O-N 3.41Å; S369-D373 PolarHBondContact O-N 2.95Å; S369-R443 VanDerWaalsContact CB-CZ 3.47Å; S369-R443 PolarHBondContact OG-NE 3.36Å
370	N	81.8	Confident	78.1	Confident	120 Å²	120	57.7 Å²	57.7	64%	0.642	28%	0.283	S	S	*	.	H	α-helix	trans	-64.3	-33.1	-179.2	-64.9	-25.4	0	0	0	113.2	N368 R374	N368-N370 VanDerWaalsContact C-N 3.26Å; N368-N370 PolarHBondContact O-N 3.16Å; N368-N370 VanDerWaalsContact O-N 3.16Å; N370-R374 WeakPolarHBondContact O-CD 3.41Å; N370-R374 WeakPolarHBondContact O-CG 3.45Å; N370-R374 PolarHBondContact O-N 3.41Å
371	L	82.3	Confident	78.7	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-76.1	-39.1	176.8	-67.8	173.6	0	0	0	110.2	I326 L357 Y360 N368 S369 R374 T375	I326-L371 HydrophobicContact CD1-CD2 4.46Å; L357-L371 HydrophobicContact CD2-CD2 4.47Å; Y360-L371 HydrophobicContact CD1-CD1 3.36Å; Y360-L371 HydrophobicContact CD2-CD1 4.14Å; Y360-L371 HydrophobicContact CE1-CD1 3.25Å; Y360-L371 HydrophobicContact CE2-CD1 4.06Å; Y360-L371 HydrophobicContact CG-CD1 3.82Å; N368-L371 HydrophobicContact CB-CD1 4.3Å; N368-L371 HydrophobicContact CB-CG 4.44Å; N368-L371 PolarHBondContact O-N 2.76Å; S369-L371 VanDerWaalsContact C-N 3.3Å; S369-L371 PolarHBondContact O-N 2.83Å; L371-R374 WeakPolarHBondContact O-CB 3.31Å; L371-R374 PolarHBondContact O-N 3.24Å; L371-T375 WeakPolarHBondContact O-CG2 3.27Å; L371-T375 PolarHBondContact O-N 2.98Å
372	F	84.9	Confident	79.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-47.2	175.8	-165	-112.7	0	0	0	111.5	M367 N368 S369 R374 T375 L376 L422 C426 D446 V450	M367-F372 HydrophobicContact CE-CD2 3.9Å; M367-F372 HydrophobicContact CE-CE2 4.42Å; N368-F372 PolarHBondContact O-N 2.59Å; S369-F372 PolarHBondContact O-N 3.41Å; F372-R374 VanDerWaalsContact C-N 3.27Å; F372-R374 PolarHBondContact O-N 3.05Å; F372-T375 WeakPolarHBondContact CA-OG1 3.41Å; F372-T375 WeakPolarHBondContact O-CA 3.34Å; F372-T375 WeakPolarHBondContact O-CB 3.16Å; F372-T375 PolarHBondContact O-N 3.15Å; F372-T375 PolarHBondContact O-OG1 2.66Å; F372-L376 HydrophobicContact CD1-CD1 3.85Å; F372-L376 HydrophobicContact CD1-CG 4.31Å; F372-L376 HydrophobicContact CE1-CD1 3.72Å; F372-L376 HydrophobicContact CE1-CD2 4.37Å; F372-L376 HydrophobicContact CE1-CG 4.16Å; F372-L376 HydrophobicContact CZ-CD1 4.49Å; F372-L376 HydrophobicContact CZ-CD2 4.35Å; F372-L376 WeakPolarHBondContact O-CG 3.33Å; F372-L376 PolarHBondContact O-N 3.4Å; F372-L422 HydrophobicContact CE2-CD1 3.88Å; F372-L422 HydrophobicContact CZ-CD1 4.25Å; F372-C426 HydrophobicContact CE2-CB 4.41Å; F372-C426 HydrophobicContact CZ-CB 3.94Å; F372-D446 HydrophobicContact CD1-CB 4.23Å; F372-D446 HydrophobicContact CE1-CB 3.73Å; F372-V450 HydrophobicContact CZ-CG2 4.22Å
373	D	85.8	Confident	80.7	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.283	25%	0.25	S	C	.	.	H	α-helix	trans	-58	-39.4	173.7	-88.1	-38.3	0	0	0	112.9	S369 L376 N377 R449	S369-D373 PolarHBondContact O-N 2.95Å; D373-L376 PolarHBondContact O-N 3.21Å; D373-N377 WeakPolarHBondContact O-CB 3.31Å; D373-N377 PolarHBondContact O-N 3.35Å; D373-N377 PolarHBondContact O-ND2 3.29Å; D373-R449 IonicContact OD1-NH1 3.14Å; D373-R449 PolarHBondContact OD1-NH1 3.43Å
374	R	85.2	Confident	81.7	Confident	114 Å²	114	46 Å²	46	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-39.9	174.1	-73.7	172.7	-173.6	-166.5	2.2	112	N370 L371 F372 A378	N370-R374 WeakPolarHBondContact O-CD 3.41Å; N370-R374 WeakPolarHBondContact O-CG 3.45Å; N370-R374 PolarHBondContact O-N 3.41Å; L371-R374 WeakPolarHBondContact O-CB 3.31Å; L371-R374 PolarHBondContact O-N 3.24Å; F372-R374 VanDerWaalsContact C-N 3.27Å; F372-R374 PolarHBondContact O-N 3.05Å; R374-A378 WeakPolarHBondContact O-CB 3.42Å; R374-A378 PolarHBondContact O-N 3.26Å
375	T	86.1	Confident	82.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-48.8	174.3	63.7	0	0	0	0	110.9	L357 M367 L371 F372 N377 A378 F379	L357-T375 HydrophobicContact CB-CG2 3.7Å; L357-T375 HydrophobicContact CD1-CG2 3.57Å; L357-T375 HydrophobicContact CG-CG2 4.14Å; M367-T375 HydrophobicContact CE-CG2 4.4Å; M367-T375 HydrophobicContact SD-CG2 4.11Å; L371-T375 WeakPolarHBondContact O-CG2 3.27Å; L371-T375 PolarHBondContact O-N 2.98Å; F372-T375 WeakPolarHBondContact CA-OG1 3.41Å; F372-T375 WeakPolarHBondContact O-CA 3.34Å; F372-T375 WeakPolarHBondContact O-CB 3.16Å; F372-T375 PolarHBondContact O-N 3.15Å; F372-T375 PolarHBondContact O-OG1 2.66Å; T375-N377 PolarHBondContact O-N 2.81Å; T375-A378 CarbonylContact O-C 3.46Å; T375-A378 WeakPolarHBondContact O-CA 3.24Å; T375-A378 VanDerWaalsContact O-CB 3.29Å; T375-A378 WeakPolarHBondContact O-CB 3.19Å; T375-A378 PolarHBondContact O-N 3.05Å; T375-F379 WeakPolarHBondContact O-CD2 3.41Å; T375-F379 PolarHBondContact O-N 2.93Å
376	L	87.4	Confident	83.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-45.6	178.6	-66.4	175.5	0	0	0	111.7	F372 D373 A378 F379 D380 L422 D446 R449 V450 I453	F372-L376 HydrophobicContact CD1-CD1 3.85Å; F372-L376 HydrophobicContact CD1-CG 4.31Å; F372-L376 HydrophobicContact CE1-CD1 3.72Å; F372-L376 HydrophobicContact CE1-CD2 4.37Å; F372-L376 HydrophobicContact CE1-CG 4.16Å; F372-L376 HydrophobicContact CZ-CD1 4.49Å; F372-L376 HydrophobicContact CZ-CD2 4.35Å; F372-L376 WeakPolarHBondContact O-CG 3.33Å; F372-L376 PolarHBondContact O-N 3.4Å; D373-L376 PolarHBondContact O-N 3.21Å; L376-A378 PolarHBondContact O-N 3.22Å; L376-F379 WeakPolarHBondContact O-CB 3.36Å; L376-F379 PolarHBondContact O-N 3.38Å; L376-F379 VanDerWaalsContact O-N 3.15Å; L376-D380 PolarHBondContact O-N 2.69Å; L376-L422 HydrophobicContact CD2-CD1 4.04Å; L376-L422 HydrophobicContact CD2-CD2 4.27Å; L376-D446 HydrophobicContact CD1-CB 4.06Å; L376-R449 HydrophobicContact CD1-CB 4.28Å; L376-V450 HydrophobicContact CD2-CG2 3.82Å; L376-I453 HydrophobicContact CD2-CD1 3.75Å
377	N	89.2	Confident	83.4	Confident	70 Å²	70	38.2 Å²	38.2	37%	0.374	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-29.4	175.1	-68.4	-22.6	0	0	0	112.8	D373 T375 R381 R449	D373-N377 WeakPolarHBondContact O-CB 3.31Å; D373-N377 PolarHBondContact O-N 3.35Å; D373-N377 PolarHBondContact O-ND2 3.29Å; T375-N377 PolarHBondContact O-N 2.81Å; N377-R381 VanDerWaalsContact O-CG 3.32Å; N377-R381 WeakPolarHBondContact O-CG 3.3Å; N377-R381 PolarHBondContact O-N 3.34Å; N377-R381 PolarHBondContact O-NE 3.26Å; N377-R449 PolarHBondContact OD1-NH2 2.93Å
378	A	86.2	Confident	83.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.9	-39	173.6	0	0	0	0	0	111.6	F353 I354 R374 T375 L376 L382	F353-A378 HydrophobicContact CD1-CB 3.81Å; F353-A378 HydrophobicContact CE1-CB 3.77Å; I354-A378 HydrophobicContact CD1-CB 4.4Å; I354-A378 HydrophobicContact CG1-CB 3.96Å; R374-A378 WeakPolarHBondContact O-CB 3.42Å; R374-A378 PolarHBondContact O-N 3.26Å; T375-A378 CarbonylContact O-C 3.46Å; T375-A378 WeakPolarHBondContact O-CA 3.24Å; T375-A378 VanDerWaalsContact O-CB 3.29Å; T375-A378 WeakPolarHBondContact O-CB 3.19Å; T375-A378 PolarHBondContact O-N 3.05Å; L376-A378 PolarHBondContact O-N 3.22Å; A378-L382 VanDerWaalsContact O-CB 3.29Å; A378-L382 WeakPolarHBondContact O-CB 3.28Å; A378-L382 PolarHBondContact O-N 3.35Å
379	F	87.1	Confident	82.4	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-45.5	173.4	-81.1	-75.1	0	0	0	112.1	I354 F358 T375 L376 R381 L382 F383 V418 V419 L422 I453	I354-F379 HydrophobicContact CD1-CD1 4.21Å; I354-F379 HydrophobicContact CD1-CE1 4.19Å; I354-F379 HydrophobicContact CD1-CG 4.45Å; I354-F379 HydrophobicContact CD1-CZ 4.38Å; I354-F379 HydrophobicContact CG2-CE1 4.42Å; I354-F379 HydrophobicContact CG2-CE2 3.95Å; I354-F379 HydrophobicContact CG2-CZ 3.71Å; F358-F379 HydrophobicContact CE2-CE2 4.49Å; F358-F379 HydrophobicContact CE2-CZ 4.17Å; F358-F379 HydrophobicContact CZ-CE2 4.03Å; F358-F379 HydrophobicContact CZ-CZ 4.01Å; T375-F379 WeakPolarHBondContact O-CD2 3.41Å; T375-F379 PolarHBondContact O-N 2.93Å; L376-F379 WeakPolarHBondContact O-CB 3.36Å; L376-F379 PolarHBondContact O-N 3.38Å; L376-F379 VanDerWaalsContact O-N 3.15Å; F379-R381 VanDerWaalsContact C-N 3.33Å; F379-R381 PolarHBondContact O-N 3.48Å; F379-L382 WeakPolarHBondContact O-CB 3.23Å; F379-L382 PolarHBondContact O-N 3.11Å; F379-L382 VanDerWaalsContact O-N 3.14Å; F379-F383 HydrophobicContact CD1-CE2 4.18Å; F379-F383 VanDerWaalsContact O-CD2 3.26Å; F379-F383 WeakPolarHBondContact O-CD2 3.3Å; F379-F383 PolarHBondContact O-N 2.77Å; F379-V418 HydrophobicContact CE1-CG1 3.66Å; F379-V418 HydrophobicContact CZ-CG1 3.64Å; F379-V419 HydrophobicContact CD1-CG2 4.49Å; F379-V419 HydrophobicContact CE1-CG2 4.02Å; F379-L422 HydrophobicContact CD2-CD1 4.13Å; F379-L422 HydrophobicContact CD2-CD2 3.75Å; F379-L422 HydrophobicContact CD2-CG 4.4Å; F379-L422 HydrophobicContact CE1-CD2 4.48Å; F379-L422 HydrophobicContact CE2-CB 3.84Å; F379-L422 HydrophobicContact CE2-CD1 3.76Å; F379-L422 HydrophobicContact CE2-CD2 3.73Å; F379-L422 HydrophobicContact CE2-CG 3.97Å; F379-L422 HydrophobicContact CG-CD2 4.19Å; F379-L422 HydrophobicContact CZ-CB 3.79Å; F379-L422 HydrophobicContact CZ-CD2 4.08Å; F379-L422 HydrophobicContact CZ-CG 4.36Å; F379-I453 HydrophobicContact CB-CD1 3.73Å; F379-I453 HydrophobicContact CB-CG1 4.28Å; F379-I453 HydrophobicContact CB-CG2 4.36Å; F379-I453 HydrophobicContact CD1-CG2 4.4Å; F379-I453 HydrophobicContact CG-CD1 4.41Å
380	D	88.1	Confident	81.5	Confident	38 Å²	38	45.8 Å²	45.8	20%	0.203	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-49.3	176.8	-73.9	-35.6	0	0	0	110.6	L376 L382 F383 D384 R449	L376-D380 PolarHBondContact O-N 2.69Å; D380-L382 PolarHBondContact O-N 3.22Å; D380-F383 PolarHBondContact O-N 3.05Å; D380-D384 PolarHBondContact O-N 2.92Å; D380-R449 IonicContact OD2-CZ 2.66Å; D380-R449 IonicContact OD2-NH2 2.64Å; D380-R449 PolarHBondContact OD2-NH2 3.46Å
381	R	84.7	Confident	80.6	Confident	78 Å²	78	40.1 Å²	40.1	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-59.5	-42.6	174.5	-74.2	-180	-76.6	168.1	-5.3	112.9	E333 N377 F379 D384 L385	E333-R381 IonicContact OE1-CZ 3.5Å; E333-R381 IonicContact OE1-NH1 2.97Å; E333-R381 PolarHBondContact OE1-NH1 2.89Å; E333-R381 IonicContact OE2-CZ 3.74Å; E333-R381 IonicContact OE2-NH1 2.61Å; E333-R381 PolarHBondContact OE2-NH1 2.61Å; N377-R381 VanDerWaalsContact O-CG 3.32Å; N377-R381 WeakPolarHBondContact O-CG 3.3Å; N377-R381 PolarHBondContact O-N 3.34Å; N377-R381 PolarHBondContact O-NE 3.26Å; F379-R381 VanDerWaalsContact C-N 3.33Å; F379-R381 PolarHBondContact O-N 3.48Å; R381-D384 PolarHBondContact O-N 3.3Å; R381-L385 WeakPolarHBondContact O-CD1 3.41Å; R381-L385 VanDerWaalsContact O-CG 3.29Å; R381-L385 WeakPolarHBondContact O-CG 3.41Å; R381-L385 PolarHBondContact O-N 2.95Å; R381-L385 VanDerWaalsContact O-N 3.13Å
382	L	85.4	Confident	79.5	Confident	1 Å²	1	44 Å²	44	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-47.2	178.1	179.5	68.9	0	0	0	111	V347 L350 F351 I354 A378 F379 D380 L385 L386	V347-L382 HydrophobicContact CG1-CD1 3.96Å; L350-L382 HydrophobicContact CB-CD1 4.02Å; L350-L382 HydrophobicContact CD1-CB 4.45Å; L350-L382 HydrophobicContact CD1-CD1 4.36Å; F351-L382 HydrophobicContact CD1-CD2 4.22Å; F351-L382 HydrophobicContact CD2-CD1 4.37Å; F351-L382 HydrophobicContact CE1-CD1 4.48Å; F351-L382 HydrophobicContact CE1-CD2 3.78Å; F351-L382 HydrophobicContact CE2-CD1 4.11Å; F351-L382 HydrophobicContact CZ-CD1 4.16Å; F351-L382 HydrophobicContact CZ-CD2 4.1Å; I354-L382 HydrophobicContact CD1-CD2 3.77Å; A378-L382 VanDerWaalsContact O-CB 3.29Å; A378-L382 WeakPolarHBondContact O-CB 3.28Å; A378-L382 PolarHBondContact O-N 3.35Å; F379-L382 WeakPolarHBondContact O-CB 3.23Å; F379-L382 PolarHBondContact O-N 3.11Å; F379-L382 VanDerWaalsContact O-N 3.14Å; D380-L382 PolarHBondContact O-N 3.22Å; L382-L385 PolarHBondContact O-N 3.46Å; L382-L386 HydrophobicContact CD1-CD1 4.18Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CD2-CD1 4.37Å; L382-L386 HydrophobicContact CG-CD1 3.79Å; L382-L386 HydrophobicContact CG-CG 4.34Å; L382-L386 WeakPolarHBondContact O-CB 3.32Å; L382-L386 WeakPolarHBondContact O-CG 3.17Å; L382-L386 PolarHBondContact O-N 3.17Å
383	F	83.9	Confident	78.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-35.5	179.7	-82.7	-72	0	0	0	113	F379 D380 L386 N387 I415 V419 I453 R456 L457	F379-F383 HydrophobicContact CD1-CE2 4.18Å; F379-F383 VanDerWaalsContact O-CD2 3.26Å; F379-F383 WeakPolarHBondContact O-CD2 3.3Å; F379-F383 PolarHBondContact O-N 2.77Å; D380-F383 PolarHBondContact O-N 3.05Å; F383-L386 HydrophobicContact CD1-CD1 4.41Å; F383-L386 PolarHBondContact O-N 3.05Å; F383-N387 WeakPolarHBondContact O-CB 3.38Å; F383-N387 PolarHBondContact O-N 3.27Å; F383-N387 PolarHBondContact O-ND2 3.5Å; F383-N387 VanDerWaalsContact O-ND2 3.11Å; F383-I415 HydrophobicContact CE1-CG2 4.43Å; F383-I415 HydrophobicContact CZ-CG2 3.99Å; F383-V419 HydrophobicContact CE2-CG2 4.38Å; F383-V419 HydrophobicContact CZ-CG2 4.17Å; F383-I453 HydrophobicContact CD2-CG2 4.11Å; F383-I453 HydrophobicContact CE2-CG2 3.52Å; F383-I453 HydrophobicContact CZ-CG2 4.32Å; F383-R456 HydrophobicContact CD1-CB 4Å; F383-R456 HydrophobicContact CE1-CB 4.37Å; F383-R456 HydrophobicContact CG-CB 4.16Å; F383-L457 HydrophobicContact CE1-CB 4.19Å; F383-L457 HydrophobicContact CE1-CD1 4.4Å; F383-L457 HydrophobicContact CZ-CB 3.98Å; F383-L457 HydrophobicContact CZ-CD1 4.3Å
384	D	85	Confident	77.1	Confident	78 Å²	78	43 Å²	43	42%	0.417	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-45.1	175.4	-66.8	-16.8	0	0	0	110.4	D380 R381 N387 E388 R456	D380-D384 PolarHBondContact O-N 2.92Å; R381-D384 PolarHBondContact O-N 3.3Å; D384-N387 PolarHBondContact O-N 2.9Å; D384-E388 PolarHBondContact O-N 2.97Å; D384-R456 IonicContact OD1-CZ 3.24Å; D384-R456 IonicContact OD1-NH1 3.03Å; D384-R456 PolarHBondContact OD1-NH1 3.16Å; D384-R456 IonicContact OD1-NH2 2.69Å
385	L	80.1	Confident	75.8	Confident	27 Å²	27	40.5 Å²	40.5	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-37.5	175.6	-67.2	162.7	0	0	0	113.4	H346 V347 L350 R381 L382 N387 E388 I389	H346-L385 WeakPolarHBondContact CD2-CD1 3.38Å; H346-L385 VanDerWaalsContact NE2-CD1 3.34Å; H346-L385 WeakPolarHBondContact NE2-CD1 3.34Å; V347-L385 HydrophobicContact CG2-CB 4.19Å; L350-L385 HydrophobicContact CD1-CD1 3.28Å; R381-L385 WeakPolarHBondContact O-CD1 3.41Å; R381-L385 VanDerWaalsContact O-CG 3.29Å; R381-L385 WeakPolarHBondContact O-CG 3.41Å; R381-L385 PolarHBondContact O-N 2.95Å; R381-L385 VanDerWaalsContact O-N 3.13Å; L382-L385 PolarHBondContact O-N 3.46Å; L385-N387 VanDerWaalsContact C-N 3.28Å; L385-N387 PolarHBondContact O-N 3.48Å; L385-E388 PolarHBondContact O-N 3.25Å; L385-I389 WeakPolarHBondContact O-CD1 3.49Å; L385-I389 WeakPolarHBondContact O-CG1 3.31Å; L385-I389 PolarHBondContact O-N 3.43Å
386	L	77.6	Confident	74.5	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-28.5	178.2	-75.2	170.8	0	0	0	112.5	V347 L382 F383 I389 I391 I415 Y460	V347-L386 HydrophobicContact CG1-CD2 4.19Å; L382-L386 HydrophobicContact CD1-CD1 4.18Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CD2-CD1 4.37Å; L382-L386 HydrophobicContact CG-CD1 3.79Å; L382-L386 HydrophobicContact CG-CG 4.34Å; L382-L386 WeakPolarHBondContact O-CB 3.32Å; L382-L386 WeakPolarHBondContact O-CG 3.17Å; L382-L386 PolarHBondContact O-N 3.17Å; F383-L386 HydrophobicContact CD1-CD1 4.41Å; F383-L386 PolarHBondContact O-N 3.05Å; L386-I389 VanDerWaalsContact O-O 3.1Å; L386-I391 HydrophobicContact CD2-CD1 4.19Å; L386-I415 HydrophobicContact CD1-CD1 3.49Å; L386-I415 VanDerWaalsContact CD1-CD1 3.49Å; L386-I415 HydrophobicContact CD1-CG1 4.31Å; L386-I415 HydrophobicContact CD2-CD1 4.37Å; L386-Y460 HydrophobicContact CB-CD2 4.34Å; L386-Y460 HydrophobicContact CB-CE2 3.78Å; L386-Y460 HydrophobicContact CD2-CE2 4.44Å
387	N	75.5	Confident	72.9	Confident	78 Å²	78	52.7 Å²	52.7	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-75.9	-30.5	175.8	-80	-40.3	0	0	0	112.6	F383 D384 L385	F383-N387 WeakPolarHBondContact O-CB 3.38Å; F383-N387 PolarHBondContact O-N 3.27Å; F383-N387 PolarHBondContact O-ND2 3.5Å; F383-N387 VanDerWaalsContact O-ND2 3.11Å; D384-N387 PolarHBondContact O-N 2.9Å; L385-N387 VanDerWaalsContact C-N 3.28Å; L385-N387 PolarHBondContact O-N 3.48Å
388	E	73.1	Confident	71.3	Confident	129 Å²	129	51.5 Å²	51.5	60%	0.603	27%	0.273	S	S	*	.	H	α-helix	trans	-76.6	-22.4	177.7	-70.6	-177.4	-176.6	0	0	113.2	R343 D384 L385	R343-E388 IonicContact NH1-OE2 3.71Å; D384-E388 PolarHBondContact O-N 2.97Å; L385-E388 PolarHBondContact O-N 3.25Å
389	I	62.6	Low	69.6	Low	7 Å²	7	59.1 Å²	59.1	4%	0.036	31%	0.314	C	S	.	.	S	Bend	trans	-128.5	129.1	-166.6	-49	160	0	0	0	111.8	R343 L385 L386 I391 Y409	R343-I389 HydrophobicContact CB-CD1 3.34Å; R343-I389 HydrophobicContact CB-CG1 4.43Å; R343-I389 HydrophobicContact CG-CD1 4.1Å; L385-I389 WeakPolarHBondContact O-CD1 3.49Å; L385-I389 WeakPolarHBondContact O-CG1 3.31Å; L385-I389 PolarHBondContact O-N 3.43Å; L386-I389 VanDerWaalsContact O-O 3.1Å; I389-I391 HydrophobicContact CB-CD1 4.25Å; I389-I391 HydrophobicContact CB-CG1 3.88Å; I389-I391 HydrophobicContact CD1-CD1 4.43Å; I389-I391 HydrophobicContact CG2-CD1 4.13Å; I389-I391 HydrophobicContact CG2-CG1 3.47Å; I389-I391 VanDerWaalsContact CG2-CG1 3.47Å; I389-I391 PolarHBondContact O-N 3.42Å; I389-Y409 HydrophobicContact CG2-CD2 3.56Å; I389-Y409 HydrophobicContact CG2-CE2 3.72Å
390	N	60.3	Low	68.1	Low	145 Å²	145	62.8 Å²	62.8	78%	0.775	33%	0.333	S	S	*	.			trans	-74.9	71.6	169.9	-77.5	-25.5	0	0	0	111.6
391	I	63.1	Low	66.8	Low	2 Å²	2	67.7 Å²	67.7	1%	0.01	36%	0.36	C	S	.	.			trans	-80.4	129.3	173.4	-55.2	-175.5	0	0	0	109.6	V347 L386 I389 L393 Y409 I411 K464	V347-I391 HydrophobicContact CB-CD1 3.89Å; V347-I391 HydrophobicContact CG1-CD1 3.91Å; V347-I391 HydrophobicContact CG2-CD1 3.46Å; V347-I391 VanDerWaalsContact CG2-CD1 3.46Å; L386-I391 HydrophobicContact CD2-CD1 4.19Å; I389-I391 HydrophobicContact CB-CD1 4.25Å; I389-I391 HydrophobicContact CB-CG1 3.88Å; I389-I391 HydrophobicContact CD1-CD1 4.43Å; I389-I391 HydrophobicContact CG2-CD1 4.13Å; I389-I391 HydrophobicContact CG2-CG1 3.47Å; I389-I391 VanDerWaalsContact CG2-CG1 3.47Å; I389-I391 PolarHBondContact O-N 3.42Å; I391-L393 HydrophobicContact CG2-CD2 4.14Å; I391-L393 HydrophobicContact CG2-CG 4.3Å; I391-L393 PolarHBondContact O-N 3.28Å; I391-Y409 HydrophobicContact CG1-CD2 4.33Å; I391-Y409 WeakPolarHBondContact CG2-O 3.48Å; I391-I411 HydrophobicContact CD1-CD1 4.08Å; I391-I411 HydrophobicContact CG2-CB 4.37Å; I391-I411 HydrophobicContact CG2-CD1 3.82Å; I391-I411 HydrophobicContact CG2-CG1 3.99Å; I391-K464 PolarHBondContact O-NZ 3Å
392	Q	59.3	Low	65.8	Low	98 Å²	98	67.1 Å²	67.1	46%	0.458	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	103.6	166.2	-72.4	-178.9	-11.1	0	0	107.7	I394 P408 Y409 R410 I411	Q392-I394 PolarHBondContact O-N 3.37Å; Q392-P408 HydrophobicContact CG-CB 4.23Å; Q392-Y409 PolarHBondContact N-O 2.87Å; Q392-R410 HydrophobicContact CB-CG 4.46Å; Q392-R410 WeakPolarHBondContact O-CA 3.45Å; Q392-I411 PolarHBondContact O-N 2.88Å
393	L	59.9	Low	64.5	Low	20 Å²	20	68.9 Å²	68.9	11%	0.105	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.9	173.7	-58.1	152.4	0	0	0	107.9	F351 I391 I411 A413 I415 Y460 Y466	F351-L393 HydrophobicContact CE2-CD2 3.82Å; F351-L393 HydrophobicContact CZ-CD2 4.02Å; I391-L393 HydrophobicContact CG2-CD2 4.14Å; I391-L393 HydrophobicContact CG2-CG 4.3Å; I391-L393 PolarHBondContact O-N 3.28Å; L393-I411 WeakPolarHBondContact CA-O 3.36Å; L393-I411 HydrophobicContact CD2-CB 4.29Å; L393-A413 HydrophobicContact CD2-CB 4.48Å; L393-I415 HydrophobicContact CD1-CD1 3.18Å; L393-I415 HydrophobicContact CD1-CG1 3.71Å; L393-Y460 HydrophobicContact CD1-CE1 4.05Å; L393-Y460 WeakPolarHBondContact CD1-OH 3.39Å; L393-Y466 WeakPolarHBondContact CB-OH 3.47Å; L393-Y466 PolarHBondContact O-OH 3.12Å
394	I	58.6	Low	63.4	Low	16 Å²	16	69.9 Å²	69.9	8%	0.082	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.9	179.1	-60.8	-165.8	0	0	0	107.9	Q392 S398 D400 R410 I411 K412	Q392-I394 PolarHBondContact O-N 3.37Å; I394-S398 VanDerWaalsContact CG2-CB 3.42Å; I394-D400 HydrophobicContact CD1-CB 3.62Å; I394-D400 HydrophobicContact CG2-CB 4.36Å; I394-R410 HydrophobicContact CD1-CB 3.56Å; I394-R410 HydrophobicContact CD1-CG 3.72Å; I394-R410 HydrophobicContact CG1-CB 4.1Å; I394-R410 HydrophobicContact CG1-CG 4.29Å; I394-I411 PolarHBondContact N-O 3.07Å; I394-K412 HydrophobicContact CB-CG 4.41Å; I394-K412 HydrophobicContact CG2-CG 4.47Å
395	A	58.7	Low	62	Low	61 Å²	61	72.1 Å²	72.1	50%	0.504	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-56.5	141.4	172.5	0	0	0	0	0	110	D397 S398	A395-D397 PolarHBondContact O-N 3.44Å; A395-S398 PolarHBondContact O-N 3.39Å
396	L	59.3	Low	61	Low	105 Å²	105	77.2 Å²	77.2	55%	0.55	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.1	-175.8	-71.7	156.6	0	0	0	113.2
397	D	53	Low	60.2	Low	150 Å²	150	84.2 Å²	84.2	80%	0.802	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.3	-175.1	-60.3	-16	0	0	0	114.7	A395	A395-D397 PolarHBondContact O-N 3.44Å
398	S	55.4	Low	59.4	Low	45 Å²	45	83.1 Å²	83.1	32%	0.315	44%	0.438	S	S	.	.			trans	-81	135.2	179.2	-67.7	0	0	0	0	111.6	I394 A395 D400 K412	I394-S398 VanDerWaalsContact CG2-CB 3.42Å; A395-S398 PolarHBondContact O-N 3.39Å; S398-D400 PolarHBondContact O-N 3.14Å; S398-D400 VanDerWaalsContact O-N 3.14Å; S398-K412 WeakPolarHBondContact O-CE 3.42Å; S398-K412 PolarHBondContact O-NZ 3.47Å
399	N	52	Low	59	Low	160 Å²	160	78.3 Å²	78.3	86%	0.856	41%	0.414	S	S	*	.			trans	-71.8	2.2	176.3	-73.4	-31.8	0	0	0	114
400	D	55.6	Low	59.1	Low	78 Å²	78	82.2 Å²	82.2	42%	0.417	43%	0.429	S	S	.	.			trans	-67	138.9	-177.3	-65.4	-41.3	0	0	0	111.7	I394 S398 K412	I394-D400 HydrophobicContact CD1-CB 3.62Å; I394-D400 HydrophobicContact CG2-CB 4.36Å; S398-D400 PolarHBondContact O-N 3.14Å; S398-D400 VanDerWaalsContact O-N 3.14Å; D400-K412 WeakPolarHBondContact O-CE 3.36Å; D400-K412 PolarHBondContact O-NZ 3.25Å
401	D	59.5	Low	59.4	Low	141 Å²	141	75.3 Å²	75.3	75%	0.754	39%	0.392	S	S	*	.			trans	-69.5	140.6	178.5	-68.3	-41.9	0	0	0	111.5	S403	D401-S403 PolarHBondContact O-N 3.39Å
402	E	63.5	Low	59.6	Low	66 Å²	66	78.4 Å²	78.4	31%	0.308	41%	0.405	S	S	.	.			trans	-76.6	115.7	176.1	-61.7	176.1	126.5	0	0	110	K348 F404 R410 K412	K348-E402 IonicContact NZ-OE1 2.75Å; K348-E402 PolarHBondContact NZ-OE1 2.92Å; K348-E402 IonicContact NZ-OE2 3.46Å; K348-E402 PolarHBondContact NZ-OE2 3.5Å; E402-F404 HydrophobicContact CB-CD2 4.44Å; E402-F404 HydrophobicContact CB-CE1 4.06Å; E402-F404 HydrophobicContact CB-CE2 3.57Å; E402-F404 HydrophobicContact CB-CZ 3.32Å; E402-F404 VanDerWaalsContact CD-CZ 3.49Å; E402-F404 HydrophobicContact CG-CZ 3.95Å; E402-F404 VanDerWaalsContact OE2-CZ 3.3Å; E402-F404 WeakPolarHBondContact OE2-CZ 3.29Å; E402-R410 VanDerWaalsContact CA-O 3.28Å; E402-R410 WeakPolarHBondContact CA-O 3.49Å; E402-K412 HydrophobicContact CG-CB 4.37Å; E402-K412 HydrophobicContact CG-CD 4.01Å; E402-K412 HydrophobicContact CG-CG 3.81Å; E402-K412 WeakPolarHBondContact OE1-CB 3.43Å
403	S	59.3	Low	60.1	Low	38 Å²	38	74.3 Å²	74.3	27%	0.266	39%	0.388	S	S	.	.			trans	-99.1	106.5	173.6	52.9	0	0	0	0	110	D401 P408 Y409 R410	D401-S403 PolarHBondContact O-N 3.39Å; S403-P408 PolarHBondContact OG-O 2.91Å; S403-Y409 WeakPolarHBondContact O-CA 3.26Å; S403-R410 PolarHBondContact N-O 3.42Å; S403-R410 PolarHBondContact O-N 3.15Å; S403-R410 VanDerWaalsContact O-N 3.08Å; S403-R410 WeakPolarHBondContact OG-CB 3.43Å; S403-R410 PolarHBondContact OG-N 2.93Å
404	F	60	Low	60.8	Low	21 Å²	21	75 Å²	75	9%	0.092	40%	0.395	C	S	.	.			trans	-95	-17.8	177.5	-59.2	-60.2	0	0	0	113.4	F301 S342 K348 E402 Y409 I411	F301-F404 HydrophobicContact CE2-CB 3.92Å; F301-F404 HydrophobicContact CZ-CB 3.48Å; F301-F404 VanDerWaalsContact CZ-CB 3.48Å; S342-F404 WeakPolarHBondContact CB-O 3.34Å; S342-F404 PolarHBondContact OG-O 3.36Å; K348-F404 HydrophobicContact CB-CE1 4.09Å; K348-F404 HydrophobicContact CD-CD1 4.28Å; K348-F404 HydrophobicContact CD-CE1 3.21Å; K348-F404 HydrophobicContact CD-CE2 4.23Å; K348-F404 HydrophobicContact CD-CZ 3.19Å; K348-F404 HydrophobicContact CG-CE1 4.24Å; K348-F404 VanDerWaalsContact NZ-CZ 3.26Å; E402-F404 HydrophobicContact CB-CD2 4.44Å; E402-F404 HydrophobicContact CB-CE1 4.06Å; E402-F404 HydrophobicContact CB-CE2 3.57Å; E402-F404 HydrophobicContact CB-CZ 3.32Å; E402-F404 VanDerWaalsContact CD-CZ 3.49Å; E402-F404 HydrophobicContact CG-CZ 3.95Å; E402-F404 VanDerWaalsContact OE2-CZ 3.3Å; E402-F404 WeakPolarHBondContact OE2-CZ 3.29Å; F404-Y409 WeakPolarHBondContact O-CE1 3.22Å; F404-I411 HydrophobicContact CE1-CG1 4.23Å
405	E	56	Low	61.9	Low	126 Å²	126	74.6 Å²	74.6	59%	0.589	39%	0.393	S	S	*	.	S	Bend	trans	-98.7	-28.9	-166.8	-163.1	170.1	-176.4	0	0	113.5	F301	F301-E405 HydrophobicContact CE1-CB 4.26Å; F301-E405 HydrophobicContact CE1-CG 4.5Å; F301-E405 HydrophobicContact CZ-CB 3.91Å; F301-E405 HydrophobicContact CZ-CG 4.38Å
406	H	58.6	Low	63	Low	134 Å²	134	73.5 Å²	73.5	62%	0.62	38%	0.378	S	S	*	.	S	Bend	trans	-130.7	143.8	-177.3	-60.9	-36.6	0	0	0	111.5	P408	H406-P408 CarbonylContact O-C 3.58Å
407	E	60.4	Low	64.2	Low	148 Å²	148	71.9 Å²	71.9	69%	0.692	37%	0.373	S	S	*	.	S	Bend	trans	-65	137.8	169.3	-70.2	-178.6	176.1	0	0	110.3	Y409	E407-Y409 HydrophobicContact CG-CD2 3.97Å; E407-Y409 HydrophobicContact CG-CE2 3.45Å; E407-Y409 VanDerWaalsContact CG-CE2 3.45Å
408	P	59.4	Low	65.8	Low	56 Å²	56	65.2 Å²	65.2	36%	0.364	34%	0.337	S	S	.	.	S	Bend	cis	-76.2	130.9	0.7	30.7	-32.9	0	0	0	111.7	Q392 S403 H406 R410	Q392-P408 HydrophobicContact CG-CB 4.23Å; S403-P408 PolarHBondContact OG-O 2.91Å; H406-P408 CarbonylContact O-C 3.58Å; P408-R410 PolarHBondContact O-N 3.14Å
409	Y	64.4	Low	67.3	Low	27 Å²	27	63.2 Å²	63.2	11%	0.106	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-64.1	119.6	172.9	-60.4	-73	0	0	0	109	S342 I389 I391 Q392 S403 F404 E407	S342-Y409 VanDerWaalsContact OG-CE1 3.27Å; S342-Y409 WeakPolarHBondContact OG-CE1 3.44Å; I389-Y409 HydrophobicContact CG2-CD2 3.56Å; I389-Y409 HydrophobicContact CG2-CE2 3.72Å; I391-Y409 HydrophobicContact CG1-CD2 4.33Å; I391-Y409 WeakPolarHBondContact CG2-O 3.48Å; Q392-Y409 PolarHBondContact N-O 2.87Å; S403-Y409 WeakPolarHBondContact O-CA 3.26Å; F404-Y409 WeakPolarHBondContact O-CE1 3.22Å; E407-Y409 HydrophobicContact CG-CD2 3.97Å; E407-Y409 HydrophobicContact CG-CE2 3.45Å; E407-Y409 VanDerWaalsContact CG-CE2 3.45Å
410	R	64.3	Low	68.9	Low	90 Å²	90	56.1 Å²	56.1	34%	0.34	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	105.6	178.9	-72.9	174	173.3	-162.5	4	108.9	Q392 I394 E402 S403 P408	Q392-R410 HydrophobicContact CB-CG 4.46Å; Q392-R410 WeakPolarHBondContact O-CA 3.45Å; I394-R410 HydrophobicContact CD1-CB 3.56Å; I394-R410 HydrophobicContact CD1-CG 3.72Å; I394-R410 HydrophobicContact CG1-CB 4.1Å; I394-R410 HydrophobicContact CG1-CG 4.29Å; E402-R410 VanDerWaalsContact CA-O 3.28Å; E402-R410 WeakPolarHBondContact CA-O 3.49Å; S403-R410 PolarHBondContact N-O 3.42Å; S403-R410 PolarHBondContact O-N 3.15Å; S403-R410 VanDerWaalsContact O-N 3.08Å; S403-R410 WeakPolarHBondContact OG-CB 3.43Å; S403-R410 PolarHBondContact OG-N 2.93Å; P408-R410 PolarHBondContact O-N 3.14Å
411	I	67.3	Low	70.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.8	-177	-56.2	178.3	0	0	0	108.4	G344 V347 K348 F351 I391 Q392 L393 I394 F404 A413	G344-I411 VanDerWaalsContact O-CD1 3.22Å; G344-I411 WeakPolarHBondContact O-CD1 3.29Å; V347-I411 HydrophobicContact CB-CD1 3.74Å; V347-I411 HydrophobicContact CG1-CD1 3.62Å; K348-I411 HydrophobicContact CB-CG2 4.21Å; K348-I411 HydrophobicContact CG-CG2 4.44Å; F351-I411 HydrophobicContact CD2-CG2 4.32Å; I391-I411 HydrophobicContact CD1-CD1 4.08Å; I391-I411 HydrophobicContact CG2-CB 4.37Å; I391-I411 HydrophobicContact CG2-CD1 3.82Å; I391-I411 HydrophobicContact CG2-CG1 3.99Å; Q392-I411 PolarHBondContact O-N 2.88Å; L393-I411 WeakPolarHBondContact CA-O 3.36Å; L393-I411 HydrophobicContact CD2-CB 4.29Å; I394-I411 PolarHBondContact N-O 3.07Å; F404-I411 HydrophobicContact CE1-CG1 4.23Å; I411-A413 HydrophobicContact CG2-CB 4.23Å; I411-A413 PolarHBondContact O-N 3.48Å; I411-A413 VanDerWaalsContact O-N 3.12Å
412	K	68.2	Low	71.7	Confident	67 Å²	67	49.7 Å²	49.7	29%	0.291	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	91.1	172.1	-67.8	-177.4	-171.5	-162.5	0	109.7	I394 S398 D400 E402	I394-K412 HydrophobicContact CB-CG 4.41Å; I394-K412 HydrophobicContact CG2-CG 4.47Å; S398-K412 WeakPolarHBondContact O-CE 3.42Å; S398-K412 PolarHBondContact O-NZ 3.47Å; D400-K412 WeakPolarHBondContact O-CE 3.36Å; D400-K412 PolarHBondContact O-NZ 3.25Å; E402-K412 HydrophobicContact CG-CB 4.37Å; E402-K412 HydrophobicContact CG-CD 4.01Å; E402-K412 HydrophobicContact CG-CG 3.81Å; E402-K412 WeakPolarHBondContact OE1-CB 3.43Å
413	A	68.4	Low	72.8	Confident	11 Å²	11	46.8 Å²	46.8	9%	0.091	24%	0.24	C	C	.	.			trans	-156	140.1	172.5	0	0	0	0	0	109.9	F351 L393 I411	F351-A413 HydrophobicContact CB-CB 4.35Å; F351-A413 HydrophobicContact CD1-CB 3.8Å; F351-A413 HydrophobicContact CD2-CB 3.6Å; F351-A413 HydrophobicContact CE1-CB 3.89Å; F351-A413 HydrophobicContact CE2-CB 3.68Å; F351-A413 HydrophobicContact CG-CB 3.66Å; F351-A413 HydrophobicContact CZ-CB 3.83Å; L393-A413 HydrophobicContact CD2-CB 4.48Å; I411-A413 HydrophobicContact CG2-CB 4.23Å; I411-A413 PolarHBondContact O-N 3.48Å; I411-A413 VanDerWaalsContact O-N 3.12Å
414	S	75.2	Confident	74.1	Confident	36 Å²	36	48.4 Å²	48.4	25%	0.252	25%	0.248	S	C	.	.			trans	-103.9	105.6	172.7	176.5	0	0	0	0	109.7	L416 T417 V418	S414-L416 PolarHBondContact O-N 3.31Å; S414-T417 WeakPolarHBondContact CB-OG1 3.17Å; S414-T417 PolarHBondContact O-N 3.43Å; S414-T417 PolarHBondContact O-OG1 3.35Å; S414-T417 PolarHBondContact OG-N 2.99Å; S414-V418 WeakPolarHBondContact O-CG2 3.3Å; S414-V418 PolarHBondContact O-N 3.33Å
415	I	81.5	Confident	75.3	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.036	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-39.9	176.6	-63.7	168.2	0	0	0	110.6	F351 F383 L386 L393 T417 V418 V419 L457 Y460	F351-I415 HydrophobicContact CE1-CG1 3.86Å; F351-I415 HydrophobicContact CZ-CD1 4.35Å; F351-I415 HydrophobicContact CZ-CG1 3.55Å; F383-I415 HydrophobicContact CE1-CG2 4.43Å; F383-I415 HydrophobicContact CZ-CG2 3.99Å; L386-I415 HydrophobicContact CD1-CD1 3.49Å; L386-I415 VanDerWaalsContact CD1-CD1 3.49Å; L386-I415 HydrophobicContact CD1-CG1 4.31Å; L386-I415 HydrophobicContact CD2-CD1 4.37Å; L393-I415 HydrophobicContact CD1-CD1 3.18Å; L393-I415 HydrophobicContact CD1-CG1 3.71Å; I415-T417 VanDerWaalsContact C-N 3.31Å; I415-T417 PolarHBondContact O-N 3.13Å; I415-V418 PolarHBondContact O-N 3.39Å; I415-V418 VanDerWaalsContact O-N 3.12Å; I415-V419 HydrophobicContact CG2-CG2 3.87Å; I415-V419 WeakPolarHBondContact O-CG2 3.32Å; I415-V419 PolarHBondContact O-N 2.77Å; I415-L457 HydrophobicContact CB-CD1 4.25Å; I415-L457 HydrophobicContact CG2-CD1 3.44Å; I415-L457 VanDerWaalsContact CG2-CD1 3.44Å; I415-Y460 HydrophobicContact CD1-CD1 4.12Å; I415-Y460 HydrophobicContact CD1-CE1 3.53Å
416	L	82.4	Confident	76.7	Confident	37 Å²	37	42 Å²	42	19%	0.194	22%	0.219	C	C	.	.	H	α-helix	trans	-57	-44.8	-179.5	179.5	66	0	0	0	111.5	S414 V418 G420 L457 A470 A473 A474	S414-L416 PolarHBondContact O-N 3.31Å; L416-V418 VanDerWaalsContact C-N 3.34Å; L416-V418 PolarHBondContact O-N 2.9Å; L416-G420 PolarHBondContact O-N 3.34Å; L416-L457 HydrophobicContact CD1-CD2 4.47Å; L416-A470 HydrophobicContact CD2-CB 4.33Å; L416-A473 HydrophobicContact CD1-CB 4.03Å; L416-A473 HydrophobicContact CD2-CB 3.69Å; L416-A473 HydrophobicContact CG-CB 4.41Å; L416-A474 HydrophobicContact CD1-CB 4.22Å
417	T	84.1	Confident	78	Confident	72 Å²	72	37.4 Å²	37.4	44%	0.442	20%	0.197	S	C	.	.	H	α-helix	trans	-65.8	-38.8	178	58.2	0	0	0	0	112.3	S414 I415 G420 L421	S414-T417 WeakPolarHBondContact CB-OG1 3.17Å; S414-T417 PolarHBondContact O-N 3.43Å; S414-T417 PolarHBondContact O-OG1 3.35Å; S414-T417 PolarHBondContact OG-N 2.99Å; I415-T417 VanDerWaalsContact C-N 3.31Å; I415-T417 PolarHBondContact O-N 3.13Å; T417-G420 PolarHBondContact O-N 3.45Å; T417-L421 VanDerWaalsContact O-CG 3.29Å; T417-L421 WeakPolarHBondContact O-CG 3.44Å; T417-L421 PolarHBondContact O-N 3.05Å
418	V	85.3	Confident	79.2	Confident	10 Å²	10	33 Å²	33	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-71.3	-38.1	-177.8	-179.7	0	0	0	0	110.9	F351 I354 F358 F379 S414 I415 L416 L421 L422	F351-V418 HydrophobicContact CD1-CG2 4.29Å; I354-V418 HydrophobicContact CB-CG1 4.26Å; I354-V418 HydrophobicContact CG2-CG1 3.37Å; F358-V418 HydrophobicContact CE2-CG1 4.09Å; F379-V418 HydrophobicContact CE1-CG1 3.66Å; F379-V418 HydrophobicContact CZ-CG1 3.64Å; S414-V418 WeakPolarHBondContact O-CG2 3.3Å; S414-V418 PolarHBondContact O-N 3.33Å; I415-V418 PolarHBondContact O-N 3.39Å; I415-V418 VanDerWaalsContact O-N 3.12Å; L416-V418 VanDerWaalsContact C-N 3.34Å; L416-V418 PolarHBondContact O-N 2.9Å; V418-L421 PolarHBondContact O-N 3.21Å; V418-L422 PolarHBondContact O-N 3.47Å; V418-L422 VanDerWaalsContact O-N 3.09Å
419	V	87.1	Confident	80.5	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-72.7	-37.7	173.4	176.3	0	0	0	0	111.4	F379 F383 I415 L421 L422 D423 I454 L457	F379-V419 HydrophobicContact CD1-CG2 4.49Å; F379-V419 HydrophobicContact CE1-CG2 4.02Å; F383-V419 HydrophobicContact CE2-CG2 4.38Å; F383-V419 HydrophobicContact CZ-CG2 4.17Å; I415-V419 HydrophobicContact CG2-CG2 3.87Å; I415-V419 WeakPolarHBondContact O-CG2 3.32Å; I415-V419 PolarHBondContact O-N 2.77Å; V419-L421 VanDerWaalsContact C-N 3.27Å; V419-L421 PolarHBondContact O-N 3.39Å; V419-L422 WeakPolarHBondContact O-CB 3.45Å; V419-L422 PolarHBondContact O-N 2.73Å; V419-L422 VanDerWaalsContact O-N 3.11Å; V419-D423 PolarHBondContact O-N 2.83Å; V419-I454 HydrophobicContact CG1-CG1 4.09Å; V419-L457 HydrophobicContact CB-CD2 3.93Å; V419-L457 HydrophobicContact CG1-CD2 3.81Å; V419-L457 HydrophobicContact CG2-CD2 4.09Å
420	G	85.6	Confident	81.5	Confident	12 Å²	12	29.7 Å²	29.7	12%	0.124	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-36.4	172.7	0	0	0	0	0	112.4	L416 T417 D423 V424	L416-G420 PolarHBondContact O-N 3.34Å; T417-G420 PolarHBondContact O-N 3.45Å; G420-D423 PolarHBondContact O-N 3.35Å; G420-V424 WeakPolarHBondContact O-CG2 3.36Å; G420-V424 PolarHBondContact O-N 2.96Å; G420-V424 VanDerWaalsContact O-N 3.11Å
421	L	86.2	Confident	82.4	Confident	83 Å²	83	27.9 Å²	27.9	44%	0.435	15%	0.152	S	C	.	.	H	α-helix	trans	-66.9	-40.9	171.2	-72.3	170.8	0	0	0	112.1	F358 T417 V418 V419 D423 V424 E425	F358-L421 HydrophobicContact CD2-CB 4.13Å; F358-L421 HydrophobicContact CD2-CD1 4.2Å; F358-L421 HydrophobicContact CE1-CB 4.33Å; F358-L421 HydrophobicContact CE2-CB 3.86Å; F358-L421 HydrophobicContact CG-CB 4.46Å; F358-L421 HydrophobicContact CZ-CB 3.99Å; T417-L421 VanDerWaalsContact O-CG 3.29Å; T417-L421 WeakPolarHBondContact O-CG 3.44Å; T417-L421 PolarHBondContact O-N 3.05Å; V418-L421 PolarHBondContact O-N 3.21Å; V419-L421 VanDerWaalsContact C-N 3.27Å; V419-L421 PolarHBondContact O-N 3.39Å; L421-D423 VanDerWaalsContact C-N 3.27Å; L421-D423 PolarHBondContact O-N 2.96Å; L421-V424 PolarHBondContact O-N 3.47Å; L421-E425 WeakPolarHBondContact O-CB 3.45Å; L421-E425 VanDerWaalsContact O-CG 3.24Å; L421-E425 WeakPolarHBondContact O-CG 3.47Å; L421-E425 PolarHBondContact O-N 2.97Å
422	L	88.8	Confident	83.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-43.2	174.7	176.3	66.3	0	0	0	111.6	F358 F372 L376 F379 V418 V419 E425 C426 V450 I453	F358-L422 HydrophobicContact CZ-CB 4.01Å; F372-L422 HydrophobicContact CE2-CD1 3.88Å; F372-L422 HydrophobicContact CZ-CD1 4.25Å; L376-L422 HydrophobicContact CD2-CD1 4.04Å; L376-L422 HydrophobicContact CD2-CD2 4.27Å; F379-L422 HydrophobicContact CD2-CD1 4.13Å; F379-L422 HydrophobicContact CD2-CD2 3.75Å; F379-L422 HydrophobicContact CD2-CG 4.4Å; F379-L422 HydrophobicContact CE1-CD2 4.48Å; F379-L422 HydrophobicContact CE2-CB 3.84Å; F379-L422 HydrophobicContact CE2-CD1 3.76Å; F379-L422 HydrophobicContact CE2-CD2 3.73Å; F379-L422 HydrophobicContact CE2-CG 3.97Å; F379-L422 HydrophobicContact CG-CD2 4.19Å; F379-L422 HydrophobicContact CZ-CB 3.79Å; F379-L422 HydrophobicContact CZ-CD2 4.08Å; F379-L422 HydrophobicContact CZ-CG 4.36Å; V418-L422 PolarHBondContact O-N 3.47Å; V418-L422 VanDerWaalsContact O-N 3.09Å; V419-L422 WeakPolarHBondContact O-CB 3.45Å; V419-L422 PolarHBondContact O-N 2.73Å; V419-L422 VanDerWaalsContact O-N 3.11Å; L422-E425 PolarHBondContact O-N 3.24Å; L422-C426 WeakPolarHBondContact O-CB 3.29Å; L422-C426 PolarHBondContact O-N 3.11Å; L422-V450 HydrophobicContact CD2-CG1 4.49Å; L422-V450 HydrophobicContact CD2-CG2 4.49Å; L422-I453 HydrophobicContact CD2-CD1 4.1Å; L422-I453 HydrophobicContact CD2-CG2 4.16Å
423	D	86.7	Confident	84	Confident	6 Å²	6	29.7 Å²	29.7	3%	0.032	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-51.1	178.2	-174.2	17.7	0	0	0	111.1	V419 G420 L421 E425 C426 F427 H477 H481	V419-D423 PolarHBondContact O-N 2.83Å; G420-D423 PolarHBondContact O-N 3.35Å; L421-D423 VanDerWaalsContact C-N 3.27Å; L421-D423 PolarHBondContact O-N 2.96Å; D423-E425 VanDerWaalsContact C-N 3.27Å; D423-E425 PolarHBondContact O-N 3.41Å; D423-C426 VanDerWaalsContact O-CB 3.3Å; D423-C426 WeakPolarHBondContact O-CB 3.49Å; D423-C426 PolarHBondContact O-N 3.38Å; D423-C426 VanDerWaalsContact O-N 3.08Å; D423-F427 WeakPolarHBondContact O-CD2 3.29Å; D423-F427 PolarHBondContact O-N 2.93Å; D423-F427 VanDerWaalsContact OD1-CD2 3.22Å; D423-F427 WeakPolarHBondContact OD1-CD2 2.8Å; D423-F427 WeakPolarHBondContact OD1-CE2 3.49Å; D423-H477 IonicContact OD2-CE1 3.89Å; D423-H477 IonicContact OD2-ND1 2.97Å; D423-H477 PolarHBondContact OD2-ND1 3.29Å; D423-H481 IonicContact OD1-CE1 2.94Å; D423-H481 PolarHBondContact OD1-CE1 3.19Å; D423-H481 IonicContact OD1-NE2 2.74Å; D423-H481 PolarHBondContact OD1-NE2 3.05Å; D423-H481 IonicContact OD2-NE2 3.11Å
424	V	86.7	Confident	84.7	Confident	72 Å²	72	32.7 Å²	32.7	44%	0.436	18%	0.183	S	C	.	.	H	α-helix	trans	-55.6	-41.8	176	171.6	0	0	0	0	112.1	G420 L421 F427 K428	G420-V424 WeakPolarHBondContact O-CG2 3.36Å; G420-V424 PolarHBondContact O-N 2.96Å; G420-V424 VanDerWaalsContact O-N 3.11Å; L421-V424 PolarHBondContact O-N 3.47Å; V424-F427 WeakPolarHBondContact O-CB 3.39Å; V424-F427 PolarHBondContact O-N 3.34Å; V424-K428 WeakPolarHBondContact O-CG 3.48Å; V424-K428 PolarHBondContact O-N 3.39Å
425	E	84.8	Confident	84.9	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-38.2	177.8	-70	-63.3	138.8	0	0	112.9	F358 D361 M367 L421 L422 D423 F427 K428 V429	F358-E425 HydrophobicContact CD1-CG 3.71Å; F358-E425 HydrophobicContact CE1-CB 4.26Å; F358-E425 HydrophobicContact CE1-CG 3.71Å; D361-E425 VanDerWaalsContact OD2-OE1 3.08Å; M367-E425 HydrophobicContact CE-CB 3.44Å; M367-E425 VanDerWaalsContact CE-CB 3.44Å; M367-E425 HydrophobicContact CE-CG 3.58Å; L421-E425 WeakPolarHBondContact O-CB 3.45Å; L421-E425 VanDerWaalsContact O-CG 3.24Å; L421-E425 WeakPolarHBondContact O-CG 3.47Å; L421-E425 PolarHBondContact O-N 2.97Å; L422-E425 PolarHBondContact O-N 3.24Å; D423-E425 VanDerWaalsContact C-N 3.27Å; D423-E425 PolarHBondContact O-N 3.41Å; E425-F427 VanDerWaalsContact C-N 3.29Å; E425-F427 PolarHBondContact O-N 3.34Å; E425-K428 PolarHBondContact O-N 3.5Å; E425-K428 IonicContact OE1-NZ 3.62Å; E425-K428 PolarHBondContact OE1-NZ 3.41Å; E425-V429 VanDerWaalsContact O-CG2 3.3Å; E425-V429 WeakPolarHBondContact O-CG2 3.31Å; E425-V429 PolarHBondContact O-N 3.07Å
426	C	85.8	Confident	85	Confident	4 Å²	4	38.9 Å²	38.9	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-45.2	171.4	-171.1	0	0	0	0	110.5	F372 L422 D423 V429 L430 V450	F372-C426 HydrophobicContact CE2-CB 4.41Å; F372-C426 HydrophobicContact CZ-CB 3.94Å; L422-C426 WeakPolarHBondContact O-CB 3.29Å; L422-C426 PolarHBondContact O-N 3.11Å; D423-C426 VanDerWaalsContact O-CB 3.3Å; D423-C426 WeakPolarHBondContact O-CB 3.49Å; D423-C426 PolarHBondContact O-N 3.38Å; D423-C426 VanDerWaalsContact O-N 3.08Å; C426-V429 PolarHBondContact O-N 3.06Å; C426-L430 WeakPolarHBondContact O-CB 3.49Å; C426-L430 WeakPolarHBondContact O-CD1 3.34Å; C426-L430 VanDerWaalsContact O-CG 3.31Å; C426-L430 WeakPolarHBondContact O-CG 3.42Å; C426-L430 PolarHBondContact O-N 2.92Å; C426-V450 HydrophobicContact CB-CG2 4.47Å
427	F	85.6	Confident	85.3	Confident	38 Å²	38	41.5 Å²	41.5	17%	0.167	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-47	174.9	-89.3	-80.1	0	0	0	112.3	D423 V424 E425 V429 L430 Q431 M634 P635 M638	D423-F427 WeakPolarHBondContact O-CD2 3.29Å; D423-F427 PolarHBondContact O-N 2.93Å; D423-F427 VanDerWaalsContact OD1-CD2 3.22Å; D423-F427 WeakPolarHBondContact OD1-CD2 2.8Å; D423-F427 WeakPolarHBondContact OD1-CE2 3.49Å; V424-F427 WeakPolarHBondContact O-CB 3.39Å; V424-F427 PolarHBondContact O-N 3.34Å; E425-F427 VanDerWaalsContact C-N 3.29Å; E425-F427 PolarHBondContact O-N 3.34Å; F427-V429 PolarHBondContact O-N 2.78Å; F427-L430 CarbonylContact O-C 3.6Å; F427-L430 PolarHBondContact O-N 3.08Å; F427-Q431 VanDerWaalsContact O-CG 3.29Å; F427-Q431 WeakPolarHBondContact O-CG 3.35Å; F427-Q431 PolarHBondContact O-N 2.91Å; F427-M634 HydrophobicContact CE1-CE 4.4Å; F427-P635 HydrophobicContact CD1-CG 3.56Å; F427-P635 HydrophobicContact CE1-CG 3.88Å; F427-M638 HydrophobicContact CE1-SD 3.84Å; F427-M638 HydrophobicContact CZ-SD 4.37Å
428	K	85	Confident	85.4	Confident	56 Å²	56	42.5 Å²	42.5	24%	0.243	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-44	176.8	-72.3	177	-174.9	168.4	0	112.9	D361 V424 E425 L430 Q431 N432	D361-K428 IonicContact OD2-NZ 4Å; D361-K428 PolarHBondContact OD2-NZ 2.99Å; V424-K428 WeakPolarHBondContact O-CG 3.48Å; V424-K428 PolarHBondContact O-N 3.39Å; E425-K428 PolarHBondContact O-N 3.5Å; E425-K428 IonicContact OE1-NZ 3.62Å; E425-K428 PolarHBondContact OE1-NZ 3.41Å; K428-L430 PolarHBondContact O-N 2.93Å; K428-Q431 PolarHBondContact O-N 2.92Å; K428-N432 PolarHBondContact O-N 2.98Å
429	V	85.9	Confident	85.4	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-40.4	176.5	167.7	0	0	0	0	110.7	C366 E425 C426 F427 A433 R443	C366-V429 HydrophobicContact CB-CG2 4.36Å; E425-V429 VanDerWaalsContact O-CG2 3.3Å; E425-V429 WeakPolarHBondContact O-CG2 3.31Å; E425-V429 PolarHBondContact O-N 3.07Å; C426-V429 PolarHBondContact O-N 3.06Å; F427-V429 PolarHBondContact O-N 2.78Å; V429-A433 WeakPolarHBondContact O-CB 3.46Å; V429-A433 PolarHBondContact O-N 3.11Å; V429-R443 HydrophobicContact CG1-CB 4.43Å; V429-R443 HydrophobicContact CG1-CG 4.22Å; V429-R443 VanDerWaalsContact CG1-NH1 3.27Å
430	L	85.9	Confident	85.5	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-79.5	-23.3	179.3	-68.4	165	0	0	0	113.7	C426 F427 K428 Y440 R443 L444 P635	C426-L430 WeakPolarHBondContact O-CB 3.49Å; C426-L430 WeakPolarHBondContact O-CD1 3.34Å; C426-L430 VanDerWaalsContact O-CG 3.31Å; C426-L430 WeakPolarHBondContact O-CG 3.42Å; C426-L430 PolarHBondContact O-N 2.92Å; F427-L430 CarbonylContact O-C 3.6Å; F427-L430 PolarHBondContact O-N 3.08Å; K428-L430 PolarHBondContact O-N 2.93Å; L430-Y440 HydrophobicContact CD2-CE2 4.32Å; L430-Y440 WeakPolarHBondContact O-CE2 3.3Å; L430-R443 HydrophobicContact CD2-CB 4.19Å; L430-L444 HydrophobicContact CD2-CD1 4.49Å; L430-P635 HydrophobicContact CB-CB 3.96Å; L430-P635 HydrophobicContact CB-CG 4.05Å
431	Q	84.8	Confident	85.6	Confident	51 Å²	51	51.6 Å²	51.6	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-72	-41.2	172.2	-77.5	170.9	-14.1	0	0	111.4	F427 K428 A631 Q633	F427-Q431 VanDerWaalsContact O-CG 3.29Å; F427-Q431 WeakPolarHBondContact O-CG 3.35Å; F427-Q431 PolarHBondContact O-N 2.91Å; K428-Q431 PolarHBondContact O-N 2.92Å; Q431-A631 PolarHBondContact NE2-O 3.46Å; Q431-Q633 WeakPolarHBondContact CG-O 3.41Å; Q431-Q633 PolarHBondContact NE2-O 2.8Å
432	N	83.6	Confident	85.6	Confident	84 Å²	84	51.3 Å²	51.3	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-81.9	-16.2	-177.8	-67.8	-14.6	0	0	0	113.5	D365 C366 K428	D365-N432 VanDerWaalsContact C-ND2 3.33Å; D365-N432 PolarHBondContact O-ND2 3.09Å; C366-N432 HydrophobicContact CB-CB 4.4Å; C366-N432 VanDerWaalsContact CB-ND2 3.33Å; C366-N432 WeakPolarHBondContact CB-ND2 3.44Å; K428-N432 PolarHBondContact O-N 2.98Å
433	A	84.1	Confident	85.4	Confident	22 Å²	22	53.9 Å²	53.9	18%	0.182	29%	0.286	C	S	.	.	S	Bend	trans	-78.4	133.4	176.3	0	0	0	0	0	111.5	V429 G435 Y440	V429-A433 WeakPolarHBondContact O-CB 3.46Å; V429-A433 PolarHBondContact O-N 3.11Å; A433-G435 PolarHBondContact O-N 2.87Å; A433-Y440 HydrophobicContact CB-CD2 3.7Å; A433-Y440 HydrophobicContact CB-CE2 4.31Å
434	N	83.2	Confident	85.4	Confident	74 Å²	74	56 Å²	56	40%	0.396	30%	0.297	S	S	.	.			trans	-71.7	117.2	178.5	-175.6	-2.7	0	0	0	111.2	H436 E437 Y440	N434-H436 PolarHBondContact O-N 3.12Å; N434-H436 PolarHBondContact OD1-N 3.48Å; N434-E437 HydrophobicContact CB-CB 4.28Å; N434-E437 HydrophobicContact CB-CG 4.04Å; N434-E437 PolarHBondContact ND2-OE1 3.29Å; N434-E437 PolarHBondContact O-N 3.12Å; N434-Y440 WeakPolarHBondContact O-CB 3.36Å
435	G	80.2	Confident	85.5	Confident	19 Å²	19	60.1 Å²	60.1	20%	0.196	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.7	-177	0	0	0	0	0	116	A433	A433-G435 PolarHBondContact O-N 2.87Å
436	H	82.7	Confident	85.5	Confident	153 Å²	153	60.7 Å²	60.7	71%	0.708	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.2	177.7	-63.6	-61.6	0	0	0	114.1	N434 Y636	N434-H436 PolarHBondContact O-N 3.12Å; N434-H436 PolarHBondContact OD1-N 3.48Å; H436-Y636 AromaticContact CE1-CZ 3.99Å; H436-Y636 PolarHBondContact CE1-OH 3.28Å
437	E	88.3	Confident	85.5	Confident	92 Å²	92	61.1 Å²	61.1	43%	0.43	31%	0.309	S	S	.	.	S	Bend	trans	-94.2	152	-178.1	-70.8	172.9	-159.7	0	0	111.5	N434 E439 Y440	N434-E437 HydrophobicContact CB-CB 4.28Å; N434-E437 HydrophobicContact CB-CG 4.04Å; N434-E437 PolarHBondContact ND2-OE1 3.29Å; N434-E437 PolarHBondContact O-N 3.12Å; E437-E439 PolarHBondContact O-N 2.9Å; E437-Y440 WeakPolarHBondContact O-CB 3.28Å; E437-Y440 PolarHBondContact O-N 3.34Å
438	S	86.6	Confident	85.6	Confident	94 Å²	94	68.4 Å²	68.4	66%	0.657	34%	0.336	S	S	*	.	H	α-helix	trans	-62.9	-24.9	177.9	54.7	0	0	0	0	112.8	Y440 V441 D442	S438-Y440 PolarHBondContact O-N 3.39Å; S438-V441 PolarHBondContact O-N 3.08Å; S438-V441 VanDerWaalsContact O-N 3.11Å; S438-D442 PolarHBondContact O-N 2.94Å
439	E	85	Confident	85.7	Confident	123 Å²	123	68.8 Å²	68.8	58%	0.575	34%	0.336	S	S	*	.	H	α-helix	trans	-57.1	-35.3	176	-60.2	-167.2	175	0	0	112	E437 V441 D442 R443	E437-E439 PolarHBondContact O-N 2.9Å; E439-V441 VanDerWaalsContact C-N 3.32Å; E439-V441 PolarHBondContact O-N 3.33Å; E439-D442 PolarHBondContact O-N 2.91Å; E439-R443 WeakPolarHBondContact O-CG 3.37Å; E439-R443 PolarHBondContact O-N 3.39Å
440	Y	89	Confident	85.9	Confident	7 Å²	7	68.6 Å²	68.6	3%	0.027	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-41.4	177.6	-167.8	-88.7	0	0	0	112.1	L430 A433 N434 E437 S438 D442 R443 L444 P635 Y636 H637	L430-Y440 HydrophobicContact CD2-CE2 4.32Å; L430-Y440 WeakPolarHBondContact O-CE2 3.3Å; A433-Y440 HydrophobicContact CB-CD2 3.7Å; A433-Y440 HydrophobicContact CB-CE2 4.31Å; N434-Y440 WeakPolarHBondContact O-CB 3.36Å; E437-Y440 WeakPolarHBondContact O-CB 3.28Å; E437-Y440 PolarHBondContact O-N 3.34Å; S438-Y440 PolarHBondContact O-N 3.39Å; Y440-D442 VanDerWaalsContact C-N 3.31Å; Y440-D442 PolarHBondContact O-N 3.18Å; Y440-R443 PolarHBondContact O-N 3.26Å; Y440-L444 WeakPolarHBondContact O-CB 3.38Å; Y440-L444 PolarHBondContact O-N 3.15Å; Y440-P635 WeakPolarHBondContact OH-CB 3.41Å; Y440-Y636 PolarHBondContact OH-N 3.47Å; Y440-H637 HydrophobicContact CE1-CB 4.16Å; Y440-H637 AromaticContact CZ-ND1 3.76Å; Y440-H637 PolarHBondContact OH-N 2.87Å; Y440-H637 VanDerWaalsContact OH-N 3.07Å; Y440-H637 PolarHBondContact OH-ND1 3.33Å
441	V	88.9	Confident	86	Confident	84 Å²	84	69.5 Å²	69.5	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-36.5	179.4	-179.3	0	0	0	0	110.7	S438 E439 L444 R445	S438-V441 PolarHBondContact O-N 3.08Å; S438-V441 VanDerWaalsContact O-N 3.11Å; E439-V441 VanDerWaalsContact C-N 3.32Å; E439-V441 PolarHBondContact O-N 3.33Å; V441-L444 PolarHBondContact O-N 2.92Å; V441-R445 WeakPolarHBondContact O-CG 3.27Å; V441-R445 PolarHBondContact O-N 2.87Å
442	D	86.1	Confident	86.2	Confident	78 Å²	78	71.5 Å²	71.5	42%	0.417	35%	0.354	S	S	.	.	H	α-helix	trans	-68.7	-44.4	176.8	-71.1	-29.5	0	0	0	111.4	S438 E439 Y440 L444 R445	S438-D442 PolarHBondContact O-N 2.94Å; E439-D442 PolarHBondContact O-N 2.91Å; Y440-D442 VanDerWaalsContact C-N 3.31Å; Y440-D442 PolarHBondContact O-N 3.18Å; D442-L444 VanDerWaalsContact C-N 3.29Å; D442-L444 PolarHBondContact O-N 3.11Å; D442-R445 VanDerWaalsContact O-CB 3.31Å; D442-R445 WeakPolarHBondContact O-CB 3.43Å; D442-R445 PolarHBondContact O-N 3.24Å; D442-R445 VanDerWaalsContact O-N 3.12Å; D442-R445 IonicContact OD1-CZ 2.8Å; D442-R445 IonicContact OD1-NE 2.7Å; D442-R445 IonicContact OD1-NH1 2.71Å; D442-R445 IonicContact OD1-NH2 3.54Å; D442-R445 PolarHBondContact OD1-NH2 3.38Å
443	R	84.7	Confident	86.5	Confident	54 Å²	54	67.5 Å²	67.5	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-34	173.4	-63.5	-56.1	-173.9	111.6	13.7	112.9	S369 V429 L430 E439 Y440 R445 D446	S369-R443 VanDerWaalsContact CB-CZ 3.47Å; S369-R443 PolarHBondContact OG-NE 3.36Å; V429-R443 HydrophobicContact CG1-CB 4.43Å; V429-R443 HydrophobicContact CG1-CG 4.22Å; V429-R443 VanDerWaalsContact CG1-NH1 3.27Å; L430-R443 HydrophobicContact CD2-CB 4.19Å; E439-R443 WeakPolarHBondContact O-CG 3.37Å; E439-R443 PolarHBondContact O-N 3.39Å; Y440-R443 PolarHBondContact O-N 3.26Å; R443-R445 PolarHBondContact O-N 3.08Å; R443-D446 WeakPolarHBondContact O-CB 3.33Å; R443-D446 PolarHBondContact O-N 3.02Å; R443-D446 VanDerWaalsContact O-N 3.14Å
444	L	87.5	Confident	86.7	Confident	51 Å²	51	66.6 Å²	66.6	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-22.1	176.7	-169.6	63.4	0	0	0	112.5	L430 Y440 V441 D442 D446 E447 H637	L430-L444 HydrophobicContact CD2-CD1 4.49Å; Y440-L444 WeakPolarHBondContact O-CB 3.38Å; Y440-L444 PolarHBondContact O-N 3.15Å; V441-L444 PolarHBondContact O-N 2.92Å; D442-L444 VanDerWaalsContact C-N 3.29Å; D442-L444 PolarHBondContact O-N 3.11Å; L444-D446 PolarHBondContact O-N 3.44Å; L444-E447 HydrophobicContact CD1-CB 4.33Å; L444-E447 VanDerWaalsContact O-CB 3.27Å; L444-E447 WeakPolarHBondContact O-CB 3.43Å; L444-E447 PolarHBondContact O-N 3.18Å; L444-H637 HydrophobicContact CD2-CB 4.41Å
445	R	86.8	Confident	87	Confident	157 Å²	157	66 Å²	66	59%	0.592	32%	0.321	S	S	*	.	H	α-helix	trans	-64.3	-32.7	174	-63.4	178.8	-174.3	-179.1	7.8	111.7	V441 D442 R443 E447 R448	V441-R445 WeakPolarHBondContact O-CG 3.27Å; V441-R445 PolarHBondContact O-N 2.87Å; D442-R445 VanDerWaalsContact O-CB 3.31Å; D442-R445 WeakPolarHBondContact O-CB 3.43Å; D442-R445 PolarHBondContact O-N 3.24Å; D442-R445 VanDerWaalsContact O-N 3.12Å; D442-R445 IonicContact OD1-CZ 2.8Å; D442-R445 IonicContact OD1-NE 2.7Å; D442-R445 IonicContact OD1-NH1 2.71Å; D442-R445 IonicContact OD1-NH2 3.54Å; D442-R445 PolarHBondContact OD1-NH2 3.38Å; R443-R445 PolarHBondContact O-N 3.08Å; R445-E447 PolarHBondContact O-N 3.01Å; R445-R448 WeakPolarHBondContact O-CB 3.16Å; R445-R448 PolarHBondContact O-N 2.98Å
446	D	86.1	Confident	87.4	Confident	20 Å²	20	69.4 Å²	69.4	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-25.7	-180	-58.6	-29.9	0	0	0	111.9	F372 L376 R443 L444 R448 R449 V450	F372-D446 HydrophobicContact CD1-CB 4.23Å; F372-D446 HydrophobicContact CE1-CB 3.73Å; L376-D446 HydrophobicContact CD1-CB 4.06Å; R443-D446 WeakPolarHBondContact O-CB 3.33Å; R443-D446 PolarHBondContact O-N 3.02Å; R443-D446 VanDerWaalsContact O-N 3.14Å; L444-D446 PolarHBondContact O-N 3.44Å; D446-R448 PolarHBondContact O-N 2.97Å; D446-R449 WeakPolarHBondContact O-CA 3.38Å; D446-R449 WeakPolarHBondContact O-CB 3.47Å; D446-R449 PolarHBondContact O-N 3.43Å; D446-V450 PolarHBondContact O-N 3.11Å
447	E	86.1	Confident	87.6	Confident	13 Å²	13	62.1 Å²	62.1	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-33	176.6	-154.4	-144.4	154	0	0	112.2	L444 R445 R449 V450 C451 H481 Y484 K485	L444-E447 HydrophobicContact CD1-CB 4.33Å; L444-E447 VanDerWaalsContact O-CB 3.27Å; L444-E447 WeakPolarHBondContact O-CB 3.43Å; L444-E447 PolarHBondContact O-N 3.18Å; R445-E447 PolarHBondContact O-N 3.01Å; E447-R449 VanDerWaalsContact C-N 3.31Å; E447-R449 PolarHBondContact O-N 3.37Å; E447-V450 PolarHBondContact O-N 3.36Å; E447-C451 PolarHBondContact O-N 2.87Å; E447-C451 PolarHBondContact O-SG 2.76Å; E447-H481 IonicContact OE1-ND1 2.76Å; E447-H481 PolarHBondContact OE1-ND1 3.21Å; E447-H481 VanDerWaalsContact OE1-ND1 3.14Å; E447-Y484 VanDerWaalsContact CD-OH 3.3Å; E447-Y484 PolarHBondContact OE1-OH 3.02Å; E447-Y484 PolarHBondContact OE2-OH 2.9Å; E447-K485 WeakPolarHBondContact OE1-CE 3.33Å; E447-K485 IonicContact OE1-NZ 2.64Å; E447-K485 PolarHBondContact OE1-NZ 3.04Å; E447-K485 IonicContact OE2-NZ 3.69Å; E447-K485 PolarHBondContact OE2-NZ 3.26Å
448	R	87.5	Confident	87.4	Confident	192 Å²	192	57.9 Å²	57.9	73%	0.725	28%	0.275	S	S	*	.	H	α-helix	trans	-64.2	-38.2	174.3	-64.5	-178.9	179.7	-178.4	-0.8	111.6	R445 D446 N452	R445-R448 WeakPolarHBondContact O-CB 3.16Å; R445-R448 PolarHBondContact O-N 2.98Å; D446-R448 PolarHBondContact O-N 2.97Å; R448-N452 VanDerWaalsContact O-CG 3.23Å; R448-N452 PolarHBondContact O-N 3.07Å; R448-N452 VanDerWaalsContact O-N 3.08Å; R448-N452 PolarHBondContact O-ND2 2.82Å
449	R	87.7	Confident	87.5	Confident	64 Å²	64	56.6 Å²	56.6	24%	0.242	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-42.3	176.7	-59.6	-174.7	63.7	-172.6	1.6	110.4	D373 L376 N377 D380 D446 E447 N452 I453	D373-R449 IonicContact OD1-NH1 3.14Å; D373-R449 PolarHBondContact OD1-NH1 3.43Å; L376-R449 HydrophobicContact CD1-CB 4.28Å; N377-R449 PolarHBondContact OD1-NH2 2.93Å; D380-R449 IonicContact OD2-CZ 2.66Å; D380-R449 IonicContact OD2-NH2 2.64Å; D380-R449 PolarHBondContact OD2-NH2 3.46Å; D446-R449 WeakPolarHBondContact O-CA 3.38Å; D446-R449 WeakPolarHBondContact O-CB 3.47Å; D446-R449 PolarHBondContact O-N 3.43Å; E447-R449 VanDerWaalsContact C-N 3.31Å; E447-R449 PolarHBondContact O-N 3.37Å; R449-N452 WeakPolarHBondContact O-CB 3.45Å; R449-N452 PolarHBondContact O-N 3.37Å; R449-I453 WeakPolarHBondContact O-CG1 3.31Å; R449-I453 PolarHBondContact O-N 3.04Å
450	V	89.2	Confident	87.4	Confident	1 Å²	1	51 Å²	51	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-45.7	174.6	178.6	0	0	0	0	111.2	F372 L376 L422 C426 D446 E447 N452 I453 I454	F372-V450 HydrophobicContact CZ-CG2 4.22Å; L376-V450 HydrophobicContact CD2-CG2 3.82Å; L422-V450 HydrophobicContact CD2-CG1 4.49Å; L422-V450 HydrophobicContact CD2-CG2 4.49Å; C426-V450 HydrophobicContact CB-CG2 4.47Å; D446-V450 PolarHBondContact O-N 3.11Å; E447-V450 PolarHBondContact O-N 3.36Å; V450-N452 VanDerWaalsContact C-N 3.32Å; V450-N452 PolarHBondContact O-N 2.87Å; V450-I453 WeakPolarHBondContact O-CB 3.5Å; V450-I453 PolarHBondContact O-N 2.81Å; V450-I453 VanDerWaalsContact O-N 3.11Å; V450-I454 HydrophobicContact CG1-CD1 3.93Å; V450-I454 HydrophobicContact CG1-CG1 4.48Å; V450-I454 WeakPolarHBondContact O-CG1 3.48Å; V450-I454 PolarHBondContact O-N 2.81Å
451	C	87.6	Confident	87.2	Confident	27 Å²	27	51 Å²	51	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-43.6	175.1	-67.3	0	0	0	0	112	E447 I453 I454 D455 K485	E447-C451 PolarHBondContact O-N 2.87Å; E447-C451 PolarHBondContact O-SG 2.76Å; C451-I453 VanDerWaalsContact C-N 3.32Å; C451-I453 PolarHBondContact O-N 3.38Å; C451-I454 PolarHBondContact O-N 3.2Å; C451-D455 PolarHBondContact O-N 3.14Å; C451-K485 PolarHBondContact SG-NZ 3.37Å; C451-K485 VanDerWaalsContact SG-NZ 3.38Å
452	N	90	Very high	87	Confident	93 Å²	93	51.6 Å²	51.6	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-63.2	-38.4	176.9	-69.9	-20.3	0	0	0	112.2	R448 R449 V450 D455 R456	R448-N452 VanDerWaalsContact O-CG 3.23Å; R448-N452 PolarHBondContact O-N 3.07Å; R448-N452 VanDerWaalsContact O-N 3.08Å; R448-N452 PolarHBondContact O-ND2 2.82Å; R449-N452 WeakPolarHBondContact O-CB 3.45Å; R449-N452 PolarHBondContact O-N 3.37Å; V450-N452 VanDerWaalsContact C-N 3.32Å; V450-N452 PolarHBondContact O-N 2.87Å; N452-D455 PolarHBondContact O-N 3.22Å; N452-R456 VanDerWaalsContact O-CG 3.31Å; N452-R456 WeakPolarHBondContact O-CG 3.45Å; N452-R456 PolarHBondContact O-N 2.8Å
453	I	89.5	Confident	86.9	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-42.4	175.6	-71.6	164.7	0	0	0	110.5	L376 F379 F383 L422 R449 V450 C451 R456 L457	L376-I453 HydrophobicContact CD2-CD1 3.75Å; F379-I453 HydrophobicContact CB-CD1 3.73Å; F379-I453 HydrophobicContact CB-CG1 4.28Å; F379-I453 HydrophobicContact CB-CG2 4.36Å; F379-I453 HydrophobicContact CD1-CG2 4.4Å; F379-I453 HydrophobicContact CG-CD1 4.41Å; F383-I453 HydrophobicContact CD2-CG2 4.11Å; F383-I453 HydrophobicContact CE2-CG2 3.52Å; F383-I453 HydrophobicContact CZ-CG2 4.32Å; L422-I453 HydrophobicContact CD2-CD1 4.1Å; L422-I453 HydrophobicContact CD2-CG2 4.16Å; R449-I453 WeakPolarHBondContact O-CG1 3.31Å; R449-I453 PolarHBondContact O-N 3.04Å; V450-I453 WeakPolarHBondContact O-CB 3.5Å; V450-I453 PolarHBondContact O-N 2.81Å; V450-I453 VanDerWaalsContact O-N 3.11Å; C451-I453 VanDerWaalsContact C-N 3.32Å; C451-I453 PolarHBondContact O-N 3.38Å; I453-R456 WeakPolarHBondContact O-CB 3.43Å; I453-R456 PolarHBondContact O-N 2.94Å; I453-L457 PolarHBondContact O-N 3.36Å
454	I	88.8	Confident	86.5	Confident	3 Å²	3	55 Å²	55	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-40	176.5	-65.9	169	0	0	0	111	V419 V450 C451 R456 L457 C458 K478 H481	V419-I454 HydrophobicContact CG1-CG1 4.09Å; V450-I454 HydrophobicContact CG1-CD1 3.93Å; V450-I454 HydrophobicContact CG1-CG1 4.48Å; V450-I454 WeakPolarHBondContact O-CG1 3.48Å; V450-I454 PolarHBondContact O-N 2.81Å; C451-I454 PolarHBondContact O-N 3.2Å; I454-R456 PolarHBondContact O-N 3.13Å; I454-L457 VanDerWaalsContact O-CB 3.31Å; I454-L457 WeakPolarHBondContact O-CB 3.5Å; I454-L457 PolarHBondContact O-N 3.13Å; I454-L457 VanDerWaalsContact O-N 3.16Å; I454-C458 PolarHBondContact O-N 3.19Å; I454-C458 PolarHBondContact O-SG 2.91Å; I454-C458 VanDerWaalsContact O-SG 3.4Å; I454-K478 HydrophobicContact CG2-CB 3.83Å; I454-H481 WeakPolarHBondContact CD1-CD2 3.35Å; I454-H481 WeakPolarHBondContact CD1-NE2 3.44Å
455	D	88.7	Confident	86	Confident	61 Å²	61	61 Å²	61	33%	0.326	27%	0.273	S	S	.	.	H	α-helix	trans	-62.5	-42.6	174.3	-79.9	-28.9	0	0	0	111.9	C451 N452 L457 C458 V459 K478	C451-D455 PolarHBondContact O-N 3.14Å; N452-D455 PolarHBondContact O-N 3.22Å; D455-L457 VanDerWaalsContact C-N 3.29Å; D455-L457 PolarHBondContact O-N 3.08Å; D455-C458 PolarHBondContact O-N 3.24Å; D455-V459 WeakPolarHBondContact O-CG2 3.14Å; D455-V459 PolarHBondContact O-N 3.02Å; D455-K478 WeakPolarHBondContact OD1-CE 3.44Å; D455-K478 IonicContact OD1-NZ 3.48Å; D455-K478 PolarHBondContact OD1-NZ 3.4Å
456	R	87.9	Confident	85.3	Confident	90 Å²	90	56.3 Å²	56.3	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-39	172.9	-73.2	175.4	177.5	-145.5	-2.4	111.5	F383 D384 N452 I453 I454 Y460	F383-R456 HydrophobicContact CD1-CB 4Å; F383-R456 HydrophobicContact CE1-CB 4.37Å; F383-R456 HydrophobicContact CG-CB 4.16Å; D384-R456 IonicContact OD1-CZ 3.24Å; D384-R456 IonicContact OD1-NH1 3.03Å; D384-R456 PolarHBondContact OD1-NH1 3.16Å; D384-R456 IonicContact OD1-NH2 2.69Å; N452-R456 VanDerWaalsContact O-CG 3.31Å; N452-R456 WeakPolarHBondContact O-CG 3.45Å; N452-R456 PolarHBondContact O-N 2.8Å; I453-R456 WeakPolarHBondContact O-CB 3.43Å; I453-R456 PolarHBondContact O-N 2.94Å; I454-R456 PolarHBondContact O-N 3.13Å; R456-Y460 VanDerWaalsContact O-CB 3.24Å; R456-Y460 WeakPolarHBondContact O-CB 3.32Å; R456-Y460 PolarHBondContact O-N 2.75Å
457	L	86.8	Confident	85	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-49.8	174.1	176.5	64.6	0	0	0	111.6	F383 I415 L416 V419 I453 I454 D455 V459 Y460 L461 A474	F383-L457 HydrophobicContact CE1-CB 4.19Å; F383-L457 HydrophobicContact CE1-CD1 4.4Å; F383-L457 HydrophobicContact CZ-CB 3.98Å; F383-L457 HydrophobicContact CZ-CD1 4.3Å; I415-L457 HydrophobicContact CB-CD1 4.25Å; I415-L457 HydrophobicContact CG2-CD1 3.44Å; I415-L457 VanDerWaalsContact CG2-CD1 3.44Å; L416-L457 HydrophobicContact CD1-CD2 4.47Å; V419-L457 HydrophobicContact CB-CD2 3.93Å; V419-L457 HydrophobicContact CG1-CD2 3.81Å; V419-L457 HydrophobicContact CG2-CD2 4.09Å; I453-L457 PolarHBondContact O-N 3.36Å; I454-L457 VanDerWaalsContact O-CB 3.31Å; I454-L457 WeakPolarHBondContact O-CB 3.5Å; I454-L457 PolarHBondContact O-N 3.13Å; I454-L457 VanDerWaalsContact O-N 3.16Å; D455-L457 VanDerWaalsContact C-N 3.29Å; D455-L457 PolarHBondContact O-N 3.08Å; L457-V459 PolarHBondContact O-N 2.73Å; L457-Y460 WeakPolarHBondContact O-CB 3.35Å; L457-Y460 PolarHBondContact O-N 3.49Å; L457-L461 HydrophobicContact CD1-CD1 3.9Å; L457-L461 HydrophobicContact CD1-CG 4Å; L457-L461 HydrophobicContact CD2-CD1 4.5Å; L457-L461 HydrophobicContact CG-CD1 3.88Å; L457-L461 HydrophobicContact CG-CG 4.37Å; L457-L461 WeakPolarHBondContact O-CG 3.38Å; L457-L461 PolarHBondContact O-N 3.47Å; L457-A474 HydrophobicContact CD2-CB 4.21Å; L457-A474 HydrophobicContact CG-CB 4.47Å
458	C	86.1	Confident	84.8	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-48.2	178.9	-68.2	0	0	0	0	111.3	I454 D455 Y460 L461 E462 Y475	I454-C458 PolarHBondContact O-N 3.19Å; I454-C458 PolarHBondContact O-SG 2.91Å; I454-C458 VanDerWaalsContact O-SG 3.4Å; D455-C458 PolarHBondContact O-N 3.24Å; C458-Y460 VanDerWaalsContact C-N 3.28Å; C458-Y460 PolarHBondContact O-N 3.03Å; C458-L461 PolarHBondContact O-N 2.76Å; C458-E462 WeakPolarHBondContact O-CB 3.35Å; C458-E462 WeakPolarHBondContact O-CG 3.45Å; C458-E462 PolarHBondContact O-N 2.71Å; C458-Y475 HydrophobicContact CB-CE1 4.32Å
459	V	87.6	Confident	84.5	Confident	68 Å²	68	54.5 Å²	54.5	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-38.5	177.9	172.7	0	0	0	0	111.5	D455 L457 K463	D455-V459 WeakPolarHBondContact O-CG2 3.14Å; D455-V459 PolarHBondContact O-N 3.02Å; L457-V459 PolarHBondContact O-N 2.73Å; V459-K463 HydrophobicContact CG1-CD 4.26Å; V459-K463 WeakPolarHBondContact O-CB 3.04Å; V459-K463 VanDerWaalsContact O-CG 3.3Å; V459-K463 WeakPolarHBondContact O-CG 3.46Å; V459-K463 PolarHBondContact O-N 3.42Å; V459-K463 VanDerWaalsContact O-N 3.08Å
460	Y	83.8	Confident	84.2	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-44.1	177.7	178.4	-93.4	0	0	0	112.4	L386 L393 I415 R456 L457 C458 K463 K464 Y466	L386-Y460 HydrophobicContact CB-CD2 4.34Å; L386-Y460 HydrophobicContact CB-CE2 3.78Å; L386-Y460 HydrophobicContact CD2-CE2 4.44Å; L393-Y460 HydrophobicContact CD1-CE1 4.05Å; L393-Y460 WeakPolarHBondContact CD1-OH 3.39Å; I415-Y460 HydrophobicContact CD1-CD1 4.12Å; I415-Y460 HydrophobicContact CD1-CE1 3.53Å; R456-Y460 VanDerWaalsContact O-CB 3.24Å; R456-Y460 WeakPolarHBondContact O-CB 3.32Å; R456-Y460 PolarHBondContact O-N 2.75Å; L457-Y460 WeakPolarHBondContact O-CB 3.35Å; L457-Y460 PolarHBondContact O-N 3.49Å; C458-Y460 VanDerWaalsContact C-N 3.28Å; C458-Y460 PolarHBondContact O-N 3.03Å; Y460-K463 PolarHBondContact O-N 3.45Å; Y460-K464 HydrophobicContact CE1-CD 3.89Å; Y460-K464 HydrophobicContact CE2-CD 3.97Å; Y460-K464 VanDerWaalsContact CE2-CE 3.46Å; Y460-K464 VanDerWaalsContact CZ-CE 3.46Å; Y460-K464 VanDerWaalsContact CZ-NZ 3.33Å; Y460-K464 PolarHBondContact O-N 2.92Å; Y460-K464 WeakPolarHBondContact OH-CE 2.97Å; Y460-K464 PolarHBondContact OH-NZ 3.14Å; Y460-Y466 HydrophobicContact CE1-CE2 4.49Å
461	L	83.3	Confident	84.1	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-37.5	178.9	-68.2	171.9	0	0	0	111.9	L457 C458 K464 E465 Y466 L471 A474	L457-L461 HydrophobicContact CD1-CD1 3.9Å; L457-L461 HydrophobicContact CD1-CG 4Å; L457-L461 HydrophobicContact CD2-CD1 4.5Å; L457-L461 HydrophobicContact CG-CD1 3.88Å; L457-L461 HydrophobicContact CG-CG 4.37Å; L457-L461 WeakPolarHBondContact O-CG 3.38Å; L457-L461 PolarHBondContact O-N 3.47Å; C458-L461 PolarHBondContact O-N 2.76Å; L461-K464 PolarHBondContact O-N 3.15Å; L461-E465 PolarHBondContact O-N 3.25Å; L461-Y466 HydrophobicContact CD2-CD1 4.32Å; L461-Y466 HydrophobicContact CD2-CD2 3.75Å; L461-Y466 HydrophobicContact CD2-CE2 4.31Å; L461-Y466 HydrophobicContact CD2-CG 3.77Å; L461-L471 HydrophobicContact CB-CD2 3.48Å; L461-L471 VanDerWaalsContact CB-CD2 3.48Å; L461-L471 HydrophobicContact CB-CG 4.44Å; L461-A474 HydrophobicContact CD1-CB 3.4Å
462	E	84.8	Confident	84	Confident	97 Å²	97	51.5 Å²	51.5	45%	0.453	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-43.4	174.4	-75.1	171.7	-172	0	0	111.7	C458 K464 E465 L471 Y475	C458-E462 WeakPolarHBondContact O-CB 3.35Å; C458-E462 WeakPolarHBondContact O-CG 3.45Å; C458-E462 PolarHBondContact O-N 2.71Å; E462-K464 VanDerWaalsContact C-N 3.3Å; E462-K464 PolarHBondContact O-N 2.95Å; E462-E465 PolarHBondContact O-N 3.33Å; E462-L471 HydrophobicContact CG-CD2 4.3Å; E462-Y475 WeakPolarHBondContact OE1-CE1 3.45Å; E462-Y475 PolarHBondContact OE1-OH 3.46Å
463	K	84.1	Confident	83.9	Confident	150 Å²	150	48 Å²	48	65%	0.652	24%	0.241	S	C	*	.	H	α-helix	trans	-65	-30.8	178.5	-77.8	176.6	-179.2	179.2	0	113.9	V459 Y460	V459-K463 HydrophobicContact CG1-CD 4.26Å; V459-K463 WeakPolarHBondContact O-CB 3.04Å; V459-K463 VanDerWaalsContact O-CG 3.3Å; V459-K463 WeakPolarHBondContact O-CG 3.46Å; V459-K463 PolarHBondContact O-N 3.42Å; V459-K463 VanDerWaalsContact O-N 3.08Å; Y460-K463 PolarHBondContact O-N 3.45Å
464	K	76.2	Confident	83.7	Confident	54 Å²	54	48 Å²	48	24%	0.235	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1.3	-175.6	-70.6	-162.5	176.5	-173.6	0	114.3	I391 Y460 L461 E462 Y466	I391-K464 PolarHBondContact O-NZ 3Å; Y460-K464 HydrophobicContact CE1-CD 3.89Å; Y460-K464 HydrophobicContact CE2-CD 3.97Å; Y460-K464 VanDerWaalsContact CE2-CE 3.46Å; Y460-K464 VanDerWaalsContact CZ-CE 3.46Å; Y460-K464 VanDerWaalsContact CZ-NZ 3.33Å; Y460-K464 PolarHBondContact O-N 2.92Å; Y460-K464 WeakPolarHBondContact OH-CE 2.97Å; Y460-K464 PolarHBondContact OH-NZ 3.14Å; L461-K464 PolarHBondContact O-N 3.15Å; E462-K464 VanDerWaalsContact C-N 3.3Å; E462-K464 PolarHBondContact O-N 2.95Å; K464-Y466 VanDerWaalsContact C-N 3.33Å; K464-Y466 HydrophobicContact CB-CD2 3.69Å; K464-Y466 HydrophobicContact CB-CE2 3.64Å; K464-Y466 HydrophobicContact CD-CE2 4.08Å; K464-Y466 HydrophobicContact CG-CE2 4.48Å; K464-Y466 PolarHBondContact O-N 2.97Å
465	E	76.9	Confident	83.8	Confident	176 Å²	176	48.8 Å²	48.8	82%	0.822	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	49.9	178.9	-60.9	-177.3	171.5	0	0	112.8	L461 E462	L461-E465 PolarHBondContact O-N 3.25Å; E462-E465 PolarHBondContact O-N 3.33Å
466	Y	71.9	Confident	83.8	Confident	60 Å²	60	46.3 Å²	46.3	24%	0.235	23%	0.231	C	C	.	.			trans	-61.9	158.7	175.4	-92.6	-98.5	0	0	0	112	L393 Y460 L461 K464	L393-Y466 WeakPolarHBondContact CB-OH 3.47Å; L393-Y466 PolarHBondContact O-OH 3.12Å; Y460-Y466 HydrophobicContact CE1-CE2 4.49Å; L461-Y466 HydrophobicContact CD2-CD1 4.32Å; L461-Y466 HydrophobicContact CD2-CD2 3.75Å; L461-Y466 HydrophobicContact CD2-CE2 4.31Å; L461-Y466 HydrophobicContact CD2-CG 3.77Å; K464-Y466 VanDerWaalsContact C-N 3.33Å; K464-Y466 HydrophobicContact CB-CD2 3.69Å; K464-Y466 HydrophobicContact CB-CE2 3.64Å; K464-Y466 HydrophobicContact CD-CE2 4.08Å; K464-Y466 HydrophobicContact CG-CE2 4.48Å; K464-Y466 PolarHBondContact O-N 2.97Å
467	P	80.2	Confident	83.8	Confident	76 Å²	76	43.9 Å²	43.9	49%	0.494	22%	0.223	S	C	.	.			trans	-51.4	144.9	174.5	21.8	-35.2	0	0	0	111.7	D469 A470 L471	P467-D469 PolarHBondContact O-N 3.23Å; P467-D469 VanDerWaalsContact O-N 3.09Å; P467-A470 HydrophobicContact CG-CB 4.42Å; P467-A470 PolarHBondContact O-N 3.3Å; P467-L471 PolarHBondContact O-N 2.97Å
468	P	81.2	Confident	83.9	Confident	48 Å²	48	45.8 Å²	45.8	31%	0.312	23%	0.231	S	C	.	.	H	α-helix	trans	-56.2	-33.1	-174	19.9	-31.7	0	0	0	112.9	A470 L471 C472 N521	P468-A470 VanDerWaalsContact C-N 3.3Å; P468-A470 PolarHBondContact O-N 3.38Å; P468-L471 PolarHBondContact O-N 3.34Å; P468-C472 PolarHBondContact O-N 2.84Å; P468-C472 PolarHBondContact O-SG 3.34Å; P468-N521 HydrophobicContact CB-CB 3.93Å
469	D	82.5	Confident	84.1	Confident	62 Å²	62	45.6 Å²	45.6	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-40.4	179	-57.9	-21.2	0	0	0	112	P467 A473	P467-D469 PolarHBondContact O-N 3.23Å; P467-D469 VanDerWaalsContact O-N 3.09Å; D469-A473 PolarHBondContact O-N 2.7Å
470	A	81.5	Confident	84.1	Confident	18 Å²	18	43.5 Å²	43.5	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-73.6	-35.7	179.6	0	0	0	0	0	112.2	L416 P467 P468 A474	L416-A470 HydrophobicContact CD2-CB 4.33Å; P467-A470 HydrophobicContact CG-CB 4.42Å; P467-A470 PolarHBondContact O-N 3.3Å; P468-A470 VanDerWaalsContact C-N 3.3Å; P468-A470 PolarHBondContact O-N 3.38Å; A470-A474 PolarHBondContact O-N 3.33Å; A470-A474 VanDerWaalsContact O-N 3.08Å
471	L	85.9	Confident	84.3	Confident	12 Å²	12	43.6 Å²	43.6	6%	0.063	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-42.8	173.7	-76.5	167.9	0	0	0	111.2	L461 E462 P467 P468 A473 A474 Y475 Y517	L461-L471 HydrophobicContact CB-CD2 3.48Å; L461-L471 VanDerWaalsContact CB-CD2 3.48Å; L461-L471 HydrophobicContact CB-CG 4.44Å; E462-L471 HydrophobicContact CG-CD2 4.3Å; P467-L471 PolarHBondContact O-N 2.97Å; P468-L471 PolarHBondContact O-N 3.34Å; L471-A473 VanDerWaalsContact C-N 3.33Å; L471-A473 PolarHBondContact O-N 3.5Å; L471-A474 PolarHBondContact O-N 3.24Å; L471-Y475 WeakPolarHBondContact O-CB 3.4Å; L471-Y475 VanDerWaalsContact O-CG 3.22Å; L471-Y475 PolarHBondContact O-N 2.76Å; L471-Y517 HydrophobicContact CB-CE1 3.92Å; L471-Y517 VanDerWaalsContact CD1-OH 3.27Å; L471-Y517 WeakPolarHBondContact CD1-OH 3.39Å
472	C	87.2	Confident	84.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-43.1	176.9	-66.6	0	0	0	0	111.7	P468 Y475 L476 I518 L527	P468-C472 PolarHBondContact O-N 2.84Å; P468-C472 PolarHBondContact O-SG 3.34Å; C472-Y475 PolarHBondContact O-N 3.45Å; C472-L476 PolarHBondContact O-N 3.43Å; C472-I518 HydrophobicContact CB-CG1 4.39Å; C472-L527 HydrophobicContact CB-CD1 4.39Å
473	A	86.6	Confident	84.7	Confident	18 Å²	18	40.9 Å²	40.9	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-43.9	176.5	0	0	0	0	0	112.6	L416 D469 L471 Y475 L476 H477	L416-A473 HydrophobicContact CD1-CB 4.03Å; L416-A473 HydrophobicContact CD2-CB 3.69Å; L416-A473 HydrophobicContact CG-CB 4.41Å; D469-A473 PolarHBondContact O-N 2.7Å; L471-A473 VanDerWaalsContact C-N 3.33Å; L471-A473 PolarHBondContact O-N 3.5Å; A473-Y475 PolarHBondContact O-N 3.14Å; A473-L476 WeakPolarHBondContact O-CB 3.26Å; A473-L476 PolarHBondContact O-N 2.7Å; A473-H477 PolarHBondContact O-CD2 3.03Å; A473-H477 PolarHBondContact O-N 3.48Å; A473-H477 VanDerWaalsContact O-N 3.07Å
474	A	86.4	Confident	84.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-40.1	176.6	0	0	0	0	0	112.3	L416 L457 L461 A470 L471 L476 H477 K478	L416-A474 HydrophobicContact CD1-CB 4.22Å; L457-A474 HydrophobicContact CD2-CB 4.21Å; L457-A474 HydrophobicContact CG-CB 4.47Å; L461-A474 HydrophobicContact CD1-CB 3.4Å; A470-A474 PolarHBondContact O-N 3.33Å; A470-A474 VanDerWaalsContact O-N 3.08Å; L471-A474 PolarHBondContact O-N 3.24Å; A474-L476 VanDerWaalsContact C-N 3.32Å; A474-H477 PolarHBondContact O-N 3.32Å; A474-K478 PolarHBondContact O-N 3.31Å
475	Y	90.2	Very high	85.3	Confident	20 Å²	20	35.7 Å²	35.7	8%	0.078	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-35.6	173.7	-69.4	-16	0	0	0	112.2	C458 E462 L471 C472 A473 K478 L479 L514 Y517	C458-Y475 HydrophobicContact CB-CE1 4.32Å; E462-Y475 WeakPolarHBondContact OE1-CE1 3.45Å; E462-Y475 PolarHBondContact OE1-OH 3.46Å; L471-Y475 WeakPolarHBondContact O-CB 3.4Å; L471-Y475 VanDerWaalsContact O-CG 3.22Å; L471-Y475 PolarHBondContact O-N 2.76Å; C472-Y475 PolarHBondContact O-N 3.45Å; A473-Y475 PolarHBondContact O-N 3.14Å; Y475-K478 PolarHBondContact O-N 3.45Å; Y475-L479 WeakPolarHBondContact O-CB 3.39Å; Y475-L479 VanDerWaalsContact O-CG 3.23Å; Y475-L479 WeakPolarHBondContact O-CG 3.34Å; Y475-L479 PolarHBondContact O-N 2.9Å; Y475-L514 HydrophobicContact CD1-CD2 3.46Å; Y475-L514 VanDerWaalsContact CD1-CD2 3.46Å; Y475-L514 HydrophobicContact CD2-CD2 3.9Å; Y475-L514 HydrophobicContact CE1-CD2 3.69Å; Y475-L514 HydrophobicContact CE2-CD2 4.12Å; Y475-L514 HydrophobicContact CG-CD2 3.56Å; Y475-Y517 AromaticContact CD2-CD1 3.61Å; Y475-Y517 HydrophobicContact CD2-CD1 3.61Å; Y475-Y517 HydrophobicContact CD2-CE1 4.19Å; Y475-Y517 HydrophobicContact CD2-CG 4.09Å; Y475-Y517 AromaticContact CE2-CD1 3.49Å; Y475-Y517 HydrophobicContact CE2-CD1 3.49Å; Y475-Y517 VanDerWaalsContact CE2-CD1 3.49Å; Y475-Y517 HydrophobicContact CE2-CD2 4.25Å; Y475-Y517 AromaticContact CE2-CE1 3.86Å; Y475-Y517 HydrophobicContact CE2-CE1 3.86Å; Y475-Y517 AromaticContact CE2-CG 3.7Å; Y475-Y517 HydrophobicContact CE2-CG 3.7Å
476	L	89.6	Confident	85.4	Confident	10 Å²	10	29 Å²	29	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-48.3	173	-177.7	65.7	0	0	0	111.5	C472 A473 A474 K478 L479 E480 L527 R530	C472-L476 PolarHBondContact O-N 3.43Å; A473-L476 WeakPolarHBondContact O-CB 3.26Å; A473-L476 PolarHBondContact O-N 2.7Å; A474-L476 VanDerWaalsContact C-N 3.32Å; L476-K478 VanDerWaalsContact C-N 3.27Å; L476-K478 PolarHBondContact O-N 2.68Å; L476-L479 WeakPolarHBondContact O-CB 3.13Å; L476-L479 PolarHBondContact O-N 3.38Å; L476-E480 HydrophobicContact CD1-CG 4.29Å; L476-E480 HydrophobicContact CG-CG 4.35Å; L476-E480 WeakPolarHBondContact O-CG 3.46Å; L476-E480 PolarHBondContact O-N 2.88Å; L476-L527 HydrophobicContact CD2-CB 4.49Å; L476-L527 HydrophobicContact CD2-CD2 3.35Å; L476-R530 HydrophobicContact CD1-CB 3.9Å; L476-R530 HydrophobicContact CD2-CB 4.37Å
477	H	87.1	Confident	85.5	Confident	38 Å²	38	28.7 Å²	28.7	18%	0.176	15%	0.151	C	C	.	.	H	α-helix	trans	-57.1	-43.1	175.8	-74.1	-66.9	0	0	0	111.7	D423 A473 A474 L479 E480 H481	D423-H477 IonicContact OD2-CE1 3.89Å; D423-H477 IonicContact OD2-ND1 2.97Å; D423-H477 PolarHBondContact OD2-ND1 3.29Å; A473-H477 PolarHBondContact O-CD2 3.03Å; A473-H477 PolarHBondContact O-N 3.48Å; A473-H477 VanDerWaalsContact O-N 3.07Å; A474-H477 PolarHBondContact O-N 3.32Å; H477-L479 PolarHBondContact O-N 3.16Å; H477-E480 PolarHBondContact O-N 2.9Å; H477-H481 PolarHBondContact O-CD2 3.38Å; H477-H481 PolarHBondContact O-N 2.94Å
478	K	88.5	Confident	85	Confident	40 Å²	40	32.2 Å²	32.2	17%	0.174	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-44.1	174.5	-178	166.5	175.4	159.3	0	112.3	I454 D455 A474 Y475 L476 E480 H481 M482 L514	I454-K478 HydrophobicContact CG2-CB 3.83Å; D455-K478 WeakPolarHBondContact OD1-CE 3.44Å; D455-K478 IonicContact OD1-NZ 3.48Å; D455-K478 PolarHBondContact OD1-NZ 3.4Å; A474-K478 PolarHBondContact O-N 3.31Å; Y475-K478 PolarHBondContact O-N 3.45Å; L476-K478 VanDerWaalsContact C-N 3.27Å; L476-K478 PolarHBondContact O-N 2.68Å; K478-E480 VanDerWaalsContact C-N 3.34Å; K478-E480 PolarHBondContact O-N 3.2Å; K478-H481 PolarHBondContact O-N 3.35Å; K478-M482 HydrophobicContact CD-SD 4.48Å; K478-M482 HydrophobicContact CG-SD 3.87Å; K478-M482 VanDerWaalsContact O-CG 3.28Å; K478-M482 WeakPolarHBondContact O-CG 3.22Å; K478-M482 PolarHBondContact O-N 2.8Å; K478-L514 HydrophobicContact CD-CD1 4.07Å; K478-L514 HydrophobicContact CG-CD1 4.17Å
479	L	90	Very high	84.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-41.7	176.9	-75.3	172.6	0	0	0	111.7	Y475 L476 H477 H481 M482 Y483 I511 L514 I518 A531	Y475-L479 WeakPolarHBondContact O-CB 3.39Å; Y475-L479 VanDerWaalsContact O-CG 3.23Å; Y475-L479 WeakPolarHBondContact O-CG 3.34Å; Y475-L479 PolarHBondContact O-N 2.9Å; L476-L479 WeakPolarHBondContact O-CB 3.13Å; L476-L479 PolarHBondContact O-N 3.38Å; H477-L479 PolarHBondContact O-N 3.16Å; L479-H481 VanDerWaalsContact C-N 3.28Å; L479-H481 PolarHBondContact O-N 2.91Å; L479-M482 PolarHBondContact O-N 2.71Å; L479-Y483 WeakPolarHBondContact O-CB 3.35Å; L479-Y483 WeakPolarHBondContact O-CD1 3.48Å; L479-Y483 PolarHBondContact O-N 2.84Å; L479-I511 HydrophobicContact CD2-CB 4.1Å; L479-I511 HydrophobicContact CD2-CG1 3.83Å; L479-I511 HydrophobicContact CD2-CG2 3.86Å; L479-L514 HydrophobicContact CD1-CB 4.22Å; L479-L514 HydrophobicContact CD2-CB 3.97Å; L479-L514 HydrophobicContact CD2-CD1 3.92Å; L479-L514 HydrophobicContact CG-CB 4.15Å; L479-L514 HydrophobicContact CG-CD1 4.17Å; L479-I518 HydrophobicContact CD1-CD1 3.57Å; L479-A531 HydrophobicContact CD1-CB 4.38Å
480	E	88.9	Confident	83.7	Confident	24 Å²	24	33.1 Å²	33.1	11%	0.112	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-32.2	-179.6	-74.5	179.7	178.1	0	0	112.9	L476 H477 K478 Y483 Y484 R530	L476-E480 HydrophobicContact CD1-CG 4.29Å; L476-E480 HydrophobicContact CG-CG 4.35Å; L476-E480 WeakPolarHBondContact O-CG 3.46Å; L476-E480 PolarHBondContact O-N 2.88Å; H477-E480 PolarHBondContact O-N 2.9Å; K478-E480 VanDerWaalsContact C-N 3.34Å; K478-E480 PolarHBondContact O-N 3.2Å; E480-Y483 WeakPolarHBondContact O-CD1 3.36Å; E480-Y483 WeakPolarHBondContact O-CE1 3.48Å; E480-Y484 VanDerWaalsContact O-CE1 3.29Å; E480-Y484 WeakPolarHBondContact O-CE1 3.24Å; E480-R530 IonicContact OE1-CZ 3.41Å; E480-R530 VanDerWaalsContact OE1-CZ 3.24Å; E480-R530 IonicContact OE1-NE 3.64Å; E480-R530 PolarHBondContact OE1-NE 2.88Å; E480-R530 IonicContact OE1-NH2 3.7Å; E480-R530 PolarHBondContact OE1-NH2 3.41Å; E480-R530 IonicContact OE2-NH2 2.73Å
481	H	87	Confident	82.9	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.028	15%	0.151	C	C	.	.	H	α-helix	trans	-85.4	-12.7	172.5	-73.4	-74.4	0	0	0	115.1	D423 E447 I454 H477 K478 L479 K485	D423-H481 IonicContact OD1-CE1 2.94Å; D423-H481 PolarHBondContact OD1-CE1 3.19Å; D423-H481 IonicContact OD1-NE2 2.74Å; D423-H481 PolarHBondContact OD1-NE2 3.05Å; D423-H481 IonicContact OD2-NE2 3.11Å; E447-H481 IonicContact OE1-ND1 2.76Å; E447-H481 PolarHBondContact OE1-ND1 3.21Å; E447-H481 VanDerWaalsContact OE1-ND1 3.14Å; I454-H481 WeakPolarHBondContact CD1-CD2 3.35Å; I454-H481 WeakPolarHBondContact CD1-NE2 3.44Å; H477-H481 PolarHBondContact O-CD2 3.38Å; H477-H481 PolarHBondContact O-N 2.94Å; K478-H481 PolarHBondContact O-N 3.35Å; L479-H481 VanDerWaalsContact C-N 3.28Å; L479-H481 PolarHBondContact O-N 2.91Å; H481-K485 VanDerWaalsContact O-CD 3.26Å; H481-K485 WeakPolarHBondContact O-CD 3.26Å; H481-K485 WeakPolarHBondContact O-CE 3.31Å; H481-K485 PolarHBondContact O-NZ 3.45Å
482	M	86.1	Confident	81.9	Confident	38 Å²	38	39.6 Å²	39.6	19%	0.187	18%	0.177	C	C	.	.	H	α-helix	trans	-102	-36	-175.4	-72.5	-173.2	72.8	0	0	113.4	K478 L479 Y484 K485 N507 V510 I511	K478-M482 HydrophobicContact CD-SD 4.48Å; K478-M482 HydrophobicContact CG-SD 3.87Å; K478-M482 VanDerWaalsContact O-CG 3.28Å; K478-M482 WeakPolarHBondContact O-CG 3.22Å; K478-M482 PolarHBondContact O-N 2.8Å; L479-M482 PolarHBondContact O-N 2.71Å; M482-Y484 VanDerWaalsContact C-N 3.29Å; M482-Y484 PolarHBondContact O-N 3.43Å; M482-Y484 VanDerWaalsContact O-N 3.17Å; M482-K485 PolarHBondContact O-N 3.27Å; M482-N507 HydrophobicContact CE-CB 4.05Å; M482-V510 HydrophobicContact CE-CG1 4.36Å; M482-I511 HydrophobicContact CB-CD1 4.37Å
483	Y	89.8	Confident	81	Confident	8 Å²	8	45.3 Å²	45.3	3%	0.031	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.3	-163.3	79.7	-84.4	0	0	0	115.2	L479 E480 C534 Y537 L571 M638	L479-Y483 WeakPolarHBondContact O-CB 3.35Å; L479-Y483 WeakPolarHBondContact O-CD1 3.48Å; L479-Y483 PolarHBondContact O-N 2.84Å; E480-Y483 WeakPolarHBondContact O-CD1 3.36Å; E480-Y483 WeakPolarHBondContact O-CE1 3.48Å; Y483-C534 HydrophobicContact CG-CB 4.17Å; Y483-Y537 AromaticContact CD2-CD1 3.4Å; Y483-Y537 HydrophobicContact CD2-CD1 3.4Å; Y483-Y537 HydrophobicContact CD2-CD2 4.25Å; Y483-Y537 HydrophobicContact CD2-CE1 4.04Å; Y483-Y537 AromaticContact CD2-CG 3.53Å; Y483-Y537 HydrophobicContact CD2-CG 3.53Å; Y483-Y537 AromaticContact CE2-CD1 3.77Å; Y483-Y537 HydrophobicContact CE2-CD1 3.77Å; Y483-Y537 AromaticContact CE2-CD2 3.93Å; Y483-Y537 HydrophobicContact CE2-CD2 3.93Å; Y483-Y537 HydrophobicContact CE2-CE1 4.09Å; Y483-Y537 HydrophobicContact CE2-CE2 4.24Å; Y483-Y537 AromaticContact CE2-CG 3.69Å; Y483-Y537 HydrophobicContact CE2-CG 3.69Å; Y483-Y537 WeakPolarHBondContact O-CD1 3.45Å; Y483-L571 HydrophobicContact CE2-CD1 4.02Å; Y483-M638 HydrophobicContact CE1-CE 4.04Å; Y483-M638 WeakPolarHBondContact OH-CE 3.01Å
484	Y	88.7	Confident	80	Confident	27 Å²	27	44.6 Å²	44.6	11%	0.106	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-12	-177.1	66	-94.8	0	0	0	113.5	E447 E480 M482 F486 H637 M638	E447-Y484 VanDerWaalsContact CD-OH 3.3Å; E447-Y484 PolarHBondContact OE1-OH 3.02Å; E447-Y484 PolarHBondContact OE2-OH 2.9Å; E480-Y484 VanDerWaalsContact O-CE1 3.29Å; E480-Y484 WeakPolarHBondContact O-CE1 3.24Å; M482-Y484 VanDerWaalsContact C-N 3.29Å; M482-Y484 PolarHBondContact O-N 3.43Å; M482-Y484 VanDerWaalsContact O-N 3.17Å; Y484-F486 PolarHBondContact O-N 3.3Å; Y484-H637 AromaticContact CE2-CD2 3.59Å; Y484-H637 AromaticContact CE2-NE2 3.92Å; Y484-H637 AromaticContact CZ-CD2 3.93Å; Y484-H637 AromaticContact CZ-NE2 3.75Å; Y484-H637 PolarHBondContact OH-NE2 3.49Å; Y484-M638 HydrophobicContact CD1-CE 3.71Å; Y484-M638 HydrophobicContact CD2-CG 4.46Å; Y484-M638 HydrophobicContact CE1-CE 3.99Å; Y484-M638 HydrophobicContact CE1-CG 4.45Å; Y484-M638 HydrophobicContact CE1-SD 4.3Å; Y484-M638 HydrophobicContact CE2-CG 4.41Å; Y484-M638 HydrophobicContact CG-CE 4.28Å
485	K	85	Confident	78.8	Confident	69 Å²	69	49.4 Å²	49.4	30%	0.3	22%	0.219	S	C	.	.			trans	-78.4	114.7	-176.1	-68.9	178.8	179.1	149.4	0	110.1	E447 C451 H481 M482 Y542	E447-K485 WeakPolarHBondContact OE1-CE 3.33Å; E447-K485 IonicContact OE1-NZ 2.64Å; E447-K485 PolarHBondContact OE1-NZ 3.04Å; E447-K485 IonicContact OE2-NZ 3.69Å; E447-K485 PolarHBondContact OE2-NZ 3.26Å; C451-K485 PolarHBondContact SG-NZ 3.37Å; C451-K485 VanDerWaalsContact SG-NZ 3.38Å; H481-K485 VanDerWaalsContact O-CD 3.26Å; H481-K485 WeakPolarHBondContact O-CD 3.26Å; H481-K485 WeakPolarHBondContact O-CE 3.31Å; H481-K485 PolarHBondContact O-NZ 3.45Å; M482-K485 PolarHBondContact O-N 3.27Å; K485-Y542 PolarHBondContact O-OH 3.11Å
486	F	79.3	Confident	77.7	Confident	34 Å²	34	52.4 Å²	52.4	15%	0.149	25%	0.248	C	C	.	.			trans	-88	125.4	171.3	-170	-110	0	0	0	110.5	Y484 F488 W490 L541 Y542 F733	Y484-F486 PolarHBondContact O-N 3.3Å; F486-F488 AromaticContact CD1-CD1 3.86Å; F486-F488 HydrophobicContact CD1-CD1 3.86Å; F486-F488 HydrophobicContact CD1-CE1 4.03Å; F486-F488 HydrophobicContact CD1-CG 4.16Å; F486-F488 HydrophobicContact CD1-CZ 4.47Å; F486-F488 HydrophobicContact CE1-CD1 4.26Å; F486-F488 PolarHBondContact O-N 2.97Å; F486-W490 HydrophobicContact CZ-CE3 4.44Å; F486-L541 HydrophobicContact CB-CD1 4.42Å; F486-L541 HydrophobicContact CB-CD2 3.97Å; F486-L541 HydrophobicContact CB-CG 4.38Å; F486-L541 HydrophobicContact CD2-CD1 4.27Å; F486-L541 HydrophobicContact CD2-CD2 4.03Å; F486-L541 HydrophobicContact CD2-CG 3.79Å; F486-L541 HydrophobicContact CG-CG 4.49Å; F486-Y542 HydrophobicContact CD2-CE1 4.29Å; F486-Y542 HydrophobicContact CE2-CD1 4.25Å; F486-Y542 HydrophobicContact CE2-CE1 4.1Å; F486-F733 HydrophobicContact CE1-CB 4.25Å; F486-F733 AromaticContact CE1-CD2 3.51Å; F486-F733 HydrophobicContact CE1-CD2 3.51Å; F486-F733 HydrophobicContact CE1-CE2 4.06Å; F486-F733 AromaticContact CE1-CG 3.89Å; F486-F733 HydrophobicContact CE1-CG 3.89Å; F486-F733 HydrophobicContact CE2-CD1 4.05Å; F486-F733 HydrophobicContact CE2-CD2 4.26Å; F486-F733 HydrophobicContact CE2-CE1 4.37Å; F486-F733 AromaticContact CE2-CG 3.99Å; F486-F733 HydrophobicContact CE2-CG 3.99Å; F486-F733 HydrophobicContact CZ-CB 4.01Å; F486-F733 AromaticContact CZ-CD1 3.73Å; F486-F733 HydrophobicContact CZ-CD1 3.73Å; F486-F733 AromaticContact CZ-CD2 3.19Å; F486-F733 HydrophobicContact CZ-CD2 3.19Å; F486-F733 AromaticContact CZ-CE1 3.97Å; F486-F733 HydrophobicContact CZ-CE1 3.97Å; F486-F733 AromaticContact CZ-CE2 3.52Å; F486-F733 HydrophobicContact CZ-CE2 3.52Å; F486-F733 AromaticContact CZ-CG 3.33Å; F486-F733 HydrophobicContact CZ-CG 3.33Å; F486-F733 AromaticContact CZ-CZ 3.88Å; F486-F733 HydrophobicContact CZ-CZ 3.88Å
487	D	73.9	Confident	76.3	Confident	54 Å²	54	54.2 Å²	54.2	29%	0.289	26%	0.261	S	S	.	.			trans	-79.5	100.8	169.8	-176.7	5	0	0	0	110.2	E489 W490 G491 H505 Y542	D487-E489 PolarHBondContact O-N 3.22Å; D487-E489 WeakPolarHBondContact OD1-CA 3.33Å; D487-E489 VanDerWaalsContact OD1-CB 3.32Å; D487-E489 WeakPolarHBondContact OD1-CB 3.44Å; D487-E489 PolarHBondContact OD1-N 3.09Å; D487-W490 HydrophobicContact CB-CB 4.01Å; D487-W490 PolarHBondContact O-N 2.97Å; D487-W490 PolarHBondContact OD1-N 3.1Å; D487-W490 WeakPolarHBondContact OD2-CB 3.46Å; D487-W490 PolarHBondContact OD2-N 3.02Å; D487-G491 PolarHBondContact O-N 2.63Å; D487-H505 WeakPolarHBondContact CB-NE2 3.49Å; D487-H505 IonicContact OD2-CD2 3.89Å; D487-H505 IonicContact OD2-NE2 3.42Å; D487-H505 PolarHBondContact OD2-NE2 3.08Å; D487-H505 VanDerWaalsContact OD2-NE2 3.11Å; D487-Y542 PolarHBondContact N-OH 2.91Å
488	F	68.9	Low	75.2	Confident	150 Å²	150	56.4 Å²	56.4	66%	0.658	28%	0.28	S	S	*	.	H	α-helix	trans	-64.7	-22.9	175.1	-65.7	-80.7	0	0	0	113.3	F486 R492	F486-F488 AromaticContact CD1-CD1 3.86Å; F486-F488 HydrophobicContact CD1-CD1 3.86Å; F486-F488 HydrophobicContact CD1-CE1 4.03Å; F486-F488 HydrophobicContact CD1-CG 4.16Å; F486-F488 HydrophobicContact CD1-CZ 4.47Å; F486-F488 HydrophobicContact CE1-CD1 4.26Å; F486-F488 PolarHBondContact O-N 2.97Å; F488-R492 WeakPolarHBondContact O-CB 3.45Å; F488-R492 WeakPolarHBondContact O-CG 3.38Å; F488-R492 PolarHBondContact O-N 3.07Å
489	E	65.7	Low	73.8	Confident	117 Å²	117	58.3 Å²	58.3	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-74.2	-46.2	176.1	-60.4	-170.4	172.6	0	0	111.2	D487 G491 R492 K493	D487-E489 PolarHBondContact O-N 3.22Å; D487-E489 WeakPolarHBondContact OD1-CA 3.33Å; D487-E489 VanDerWaalsContact OD1-CB 3.32Å; D487-E489 WeakPolarHBondContact OD1-CB 3.44Å; D487-E489 PolarHBondContact OD1-N 3.09Å; E489-G491 VanDerWaalsContact C-N 3.27Å; E489-G491 PolarHBondContact O-N 2.68Å; E489-R492 PolarHBondContact O-N 3.35Å; E489-K493 WeakPolarHBondContact O-CG 3.46Å; E489-K493 PolarHBondContact O-N 3.43Å
490	W	71.8	Confident	72.4	Confident	13 Å²	13	67.2 Å²	67.2	5%	0.049	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-42.9	169.3	-178.3	89.9	0	0	0	110.7	F486 D487 R492 K493 V494 M499 G503 H505 Y542 F733	F486-W490 HydrophobicContact CZ-CE3 4.44Å; D487-W490 HydrophobicContact CB-CB 4.01Å; D487-W490 PolarHBondContact O-N 2.97Å; D487-W490 PolarHBondContact OD1-N 3.1Å; D487-W490 WeakPolarHBondContact OD2-CB 3.46Å; D487-W490 PolarHBondContact OD2-N 3.02Å; W490-R492 PolarHBondContact O-N 3.24Å; W490-K493 WeakPolarHBondContact O-CB 3.49Å; W490-K493 PolarHBondContact O-N 3.45Å; W490-K493 VanDerWaalsContact O-N 3.13Å; W490-V494 HydrophobicContact CD2-CG2 3.69Å; W490-V494 VanDerWaalsContact CE2-CG2 3.5Å; W490-V494 HydrophobicContact CE3-CG2 3.83Å; W490-V494 HydrophobicContact CG-CG2 4.41Å; W490-V494 HydrophobicContact CH2-CG2 3.66Å; W490-V494 HydrophobicContact CZ2-CG2 3.51Å; W490-V494 HydrophobicContact CZ3-CB 4.45Å; W490-V494 HydrophobicContact CZ3-CG2 3.79Å; W490-V494 WeakPolarHBondContact O-CG2 3.02Å; W490-V494 PolarHBondContact O-N 3.21Å; W490-M499 HydrophobicContact CH2-SD 4.35Å; W490-G503 PolarHBondContact NE1-O 2.79Å; W490-H505 VanDerWaalsContact CB-CD2 3.45Å; W490-H505 WeakPolarHBondContact CB-CD2 3.45Å; W490-H505 AromaticContact CD1-CD2 3.75Å; W490-H505 HydrophobicContact CD2-CB 4.12Å; W490-H505 AromaticContact CD2-CD2 3.8Å; W490-H505 HydrophobicContact CG-CB 4.29Å; W490-H505 AromaticContact CG-CD2 3.37Å; W490-H505 HydrophobicContact CZ2-CB 4.29Å; W490-Y542 HydrophobicContact CD2-CD1 4.41Å; W490-Y542 HydrophobicContact CD2-CE1 4.32Å; W490-Y542 AromaticContact CE3-CD1 3.75Å; W490-Y542 HydrophobicContact CE3-CD1 3.75Å; W490-Y542 AromaticContact CE3-CE1 3.81Å; W490-Y542 HydrophobicContact CE3-CE1 3.81Å; W490-Y542 AromaticContact CH2-CD1 3.79Å; W490-Y542 HydrophobicContact CH2-CD1 3.79Å; W490-Y542 HydrophobicContact CZ2-CD1 4.42Å; W490-Y542 AromaticContact CZ3-CD1 3.43Å; W490-Y542 HydrophobicContact CZ3-CD1 3.43Å; W490-Y542 VanDerWaalsContact CZ3-CD1 3.43Å; W490-Y542 AromaticContact CZ3-CE1 3.99Å; W490-Y542 HydrophobicContact CZ3-CE1 3.99Å; W490-F733 HydrophobicContact CE3-CZ 4.45Å; W490-F733 HydrophobicContact CZ3-CE1 4.03Å; W490-F733 AromaticContact CZ3-CZ 3.95Å; W490-F733 HydrophobicContact CZ3-CZ 3.95Å
491	G	63.9	Low	70.8	Confident	2 Å²	2	73.2 Å²	73.2	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-56.6	-49	176.4	0	0	0	0	0	112.9	D487 E489 K493 V494 E495 F733	D487-G491 PolarHBondContact O-N 2.63Å; E489-G491 VanDerWaalsContact C-N 3.27Å; E489-G491 PolarHBondContact O-N 2.68Å; G491-K493 VanDerWaalsContact C-N 3.31Å; G491-K493 PolarHBondContact O-N 3.16Å; G491-V494 PolarHBondContact O-N 3.47Å; G491-V494 VanDerWaalsContact O-N 3.16Å; G491-E495 WeakPolarHBondContact O-CG 3.14Å; G491-E495 PolarHBondContact O-N 3.36Å; G491-F733 WeakPolarHBondContact O-CE2 3.28Å
492	R	66.1	Low	69.5	Low	163 Å²	163	74.9 Å²	74.9	62%	0.615	37%	0.371	S	S	*	.	H	α-helix	trans	-62	-36.8	175.8	-79.1	-174.4	-71.1	-174.1	-0.5	112.9	F488 E489 W490 A496	F488-R492 WeakPolarHBondContact O-CB 3.45Å; F488-R492 WeakPolarHBondContact O-CG 3.38Å; F488-R492 PolarHBondContact O-N 3.07Å; E489-R492 PolarHBondContact O-N 3.35Å; W490-R492 PolarHBondContact O-N 3.24Å; R492-A496 WeakPolarHBondContact O-CB 3.42Å; R492-A496 PolarHBondContact O-N 3.03Å
493	K	67.8	Low	68.3	Low	120 Å²	120	74.7 Å²	74.7	52%	0.522	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-41.9	174.6	-72.1	170.2	-176.1	168.5	0	111.2	E489 W490 G491 A496 S497 V502	E489-K493 WeakPolarHBondContact O-CG 3.46Å; E489-K493 PolarHBondContact O-N 3.43Å; W490-K493 WeakPolarHBondContact O-CB 3.49Å; W490-K493 PolarHBondContact O-N 3.45Å; W490-K493 VanDerWaalsContact O-N 3.13Å; G491-K493 VanDerWaalsContact C-N 3.31Å; G491-K493 PolarHBondContact O-N 3.16Å; K493-A496 PolarHBondContact O-N 3.07Å; K493-S497 PolarHBondContact O-N 3.07Å; K493-V502 HydrophobicContact CB-CG1 3.96Å; K493-V502 HydrophobicContact CB-CG2 4.05Å; K493-V502 WeakPolarHBondContact O-CG2 3.46Å
494	V	64.4	Low	67.2	Low	4 Å²	4	78 Å²	78	2%	0.024	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-39.3	178.1	171.5	0	0	0	0	111.3	W490 G491 A496 S498 M499 V502 F733 E734	W490-V494 HydrophobicContact CD2-CG2 3.69Å; W490-V494 VanDerWaalsContact CE2-CG2 3.5Å; W490-V494 HydrophobicContact CE3-CG2 3.83Å; W490-V494 HydrophobicContact CG-CG2 4.41Å; W490-V494 HydrophobicContact CH2-CG2 3.66Å; W490-V494 HydrophobicContact CZ2-CG2 3.51Å; W490-V494 HydrophobicContact CZ3-CB 4.45Å; W490-V494 HydrophobicContact CZ3-CG2 3.79Å; W490-V494 WeakPolarHBondContact O-CG2 3.02Å; W490-V494 PolarHBondContact O-N 3.21Å; G491-V494 PolarHBondContact O-N 3.47Å; G491-V494 VanDerWaalsContact O-N 3.16Å; V494-A496 PolarHBondContact O-N 2.68Å; V494-S498 VanDerWaalsContact O-CA 3.26Å; V494-S498 WeakPolarHBondContact O-CA 3.37Å; V494-S498 PolarHBondContact O-N 2.82Å; V494-M499 HydrophobicContact CG1-CB 4.07Å; V494-M499 HydrophobicContact CG1-CG 4.5Å; V494-V502 HydrophobicContact CG2-CB 3.93Å; V494-V502 HydrophobicContact CG2-CG1 3.98Å; V494-V502 HydrophobicContact CG2-CG2 4.1Å; V494-F733 HydrophobicContact CB-CZ 4.06Å; V494-F733 HydrophobicContact CG1-CZ 3.95Å; V494-E734 WeakPolarHBondContact CG1-OE1 3.24Å
495	E	61.3	Low	66.1	Low	101 Å²	101	76.9 Å²	76.9	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-32.9	172.8	-74	179	173.8	0	0	112.3	G491 F733 E734	G491-E495 WeakPolarHBondContact O-CG 3.14Å; G491-E495 PolarHBondContact O-N 3.36Å; E495-F733 HydrophobicContact CG-CE2 4.22Å; E495-E734 HydrophobicContact CG-CG 4.09Å; E495-E734 VanDerWaalsContact OE1-CA 3.29Å; E495-E734 WeakPolarHBondContact OE1-CA 3.11Å; E495-E734 PolarHBondContact OE1-N 3.49Å
496	A	68.9	Low	65.5	Low	83 Å²	83	77.4 Å²	77.4	69%	0.686	40%	0.402	S	S	*	.	H	α-helix	trans	-81.9	-38.5	179.7	0	0	0	0	0	114.1	R492 K493 V494	R492-A496 WeakPolarHBondContact O-CB 3.42Å; R492-A496 PolarHBondContact O-N 3.03Å; K493-A496 PolarHBondContact O-N 3.07Å; V494-A496 PolarHBondContact O-N 2.68Å
497	S	59.8	Low	65.3	Low	48 Å²	48	78.4 Å²	78.4	34%	0.336	41%	0.41	S	S	.	.	H	α-helix	trans	-122.8	8.7	-166.8	-71.4	0	0	0	0	114.5	K493 E501	K493-S497 PolarHBondContact O-N 3.07Å; S497-E501 WeakPolarHBondContact CB-OE2 3.36Å; S497-E501 WeakPolarHBondContact O-CB 3.43Å; S497-E501 VanDerWaalsContact O-CG 3.29Å; S497-E501 WeakPolarHBondContact O-CG 3.48Å
498	S	62.8	Low	65.6	Low	83 Å²	83	75.9 Å²	75.9	58%	0.58	40%	0.396	S	S	*	.	H	α-helix	trans	62.4	154.7	-172.8	-54.4	0	0	0	0	113.8	V494 E500 E501	V494-S498 VanDerWaalsContact O-CA 3.26Å; V494-S498 WeakPolarHBondContact O-CA 3.37Å; V494-S498 PolarHBondContact O-N 2.82Å; S498-E500 PolarHBondContact O-N 3.33Å; S498-E500 VanDerWaalsContact O-N 3.13Å; S498-E501 PolarHBondContact O-N 2.85Å
499	M	60	Low	66.3	Low	80 Å²	80	72.7 Å²	72.7	39%	0.394	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-21	-173.2	-165.8	160.1	87.2	0	0	113.9	W490 V494	W490-M499 HydrophobicContact CH2-SD 4.35Å; V494-M499 HydrophobicContact CG1-CB 4.07Å; V494-M499 HydrophobicContact CG1-CG 4.5Å
500	E	59.6	Low	67.2	Low	187 Å²	187	69.6 Å²	69.6	87%	0.874	37%	0.374	S	S	*	.	H	α-helix	trans	-75.9	-33.5	-178.7	-64.3	-179	175.9	0	0	113	S498	S498-E500 PolarHBondContact O-N 3.33Å; S498-E500 VanDerWaalsContact O-N 3.13Å
501	E	57.2	Low	68	Low	150 Å²	150	69 Å²	69	70%	0.701	37%	0.372	S	S	*	.	H	α-helix	trans	-84.2	-34.1	-178	-61.9	-172.6	167	0	0	112.8	S497 S498 G503	S497-E501 WeakPolarHBondContact CB-OE2 3.36Å; S497-E501 WeakPolarHBondContact O-CB 3.43Å; S497-E501 VanDerWaalsContact O-CG 3.29Å; S497-E501 WeakPolarHBondContact O-CG 3.48Å; S498-E501 PolarHBondContact O-N 2.85Å; E501-G503 VanDerWaalsContact C-N 3.32Å
502	V	58.4	Low	69.1	Low	42 Å²	42	70.4 Å²	70.4	26%	0.255	38%	0.378	S	S	.	.	H	α-helix	trans	-78.6	-22.1	-175.8	-174.3	0	0	0	0	111.8	K493 V494	K493-V502 HydrophobicContact CB-CG1 3.96Å; K493-V502 HydrophobicContact CB-CG2 4.05Å; K493-V502 WeakPolarHBondContact O-CG2 3.46Å; V494-V502 HydrophobicContact CG2-CB 3.93Å; V494-V502 HydrophobicContact CG2-CG1 3.98Å; V494-V502 HydrophobicContact CG2-CG2 4.1Å
503	G	62.1	Low	70.2	Confident	33 Å²	33	69.7 Å²	69.7	34%	0.34	38%	0.38	S	S	.	.			trans	71.7	174.2	-176.8	0	0	0	0	0	113.3	W490 E501 H505	W490-G503 PolarHBondContact NE1-O 2.79Å; E501-G503 VanDerWaalsContact C-N 3.32Å; G503-H505 PolarHBondContact O-N 3.16Å
504	L	65.2	Low	71.3	Confident	77 Å²	77	64.6 Å²	64.6	40%	0.403	36%	0.358	S	S	.	.	S	Bend	trans	-60.8	136.8	179.1	-126.8	77.7	0	0	0	110.4	T508 L509	L504-T508 HydrophobicContact CD2-CG2 3.84Å; L504-T508 HydrophobicContact CG-CG2 4.42Å; L504-L509 HydrophobicContact CD2-CD2 4.07Å; L504-L509 HydrophobicContact CD2-CG 4.5Å
505	H	66.1	Low	72.4	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.019	36%	0.357	C	S	.	.			trans	-55.3	132.9	173.4	-171.2	-67.7	0	0	0	110.3	D487 W490 G503 N507 T508 Y542	D487-H505 WeakPolarHBondContact CB-NE2 3.49Å; D487-H505 IonicContact OD2-CD2 3.89Å; D487-H505 IonicContact OD2-NE2 3.42Å; D487-H505 PolarHBondContact OD2-NE2 3.08Å; D487-H505 VanDerWaalsContact OD2-NE2 3.11Å; W490-H505 VanDerWaalsContact CB-CD2 3.45Å; W490-H505 WeakPolarHBondContact CB-CD2 3.45Å; W490-H505 AromaticContact CD1-CD2 3.75Å; W490-H505 HydrophobicContact CD2-CB 4.12Å; W490-H505 AromaticContact CD2-CD2 3.8Å; W490-H505 HydrophobicContact CG-CB 4.29Å; W490-H505 AromaticContact CG-CD2 3.37Å; W490-H505 HydrophobicContact CZ2-CB 4.29Å; G503-H505 PolarHBondContact O-N 3.16Å; H505-N507 VanDerWaalsContact C-N 3.29Å; H505-N507 PolarHBondContact CE1-ND2 2.91Å; H505-N507 VanDerWaalsContact ND1-CB 3.25Å; H505-N507 WeakPolarHBondContact ND1-CB 3.28Å; H505-N507 PolarHBondContact ND1-N 3.28Å; H505-N507 PolarHBondContact O-N 3.18Å; H505-T508 VanDerWaalsContact O-CB 3.29Å; H505-T508 WeakPolarHBondContact O-CB 3.49Å; H505-T508 PolarHBondContact O-N 3.38Å; H505-T508 PolarHBondContact O-OG1 3.34Å; H505-Y542 HydrophobicContact CB-CD1 3.95Å; H505-Y542 HydrophobicContact CB-CE1 3.66Å; H505-Y542 AromaticContact CD2-CE1 3.5Å; H505-Y542 AromaticContact CG-CE1 3.57Å
506	P	72.6	Confident	73.8	Confident	80 Å²	80	64.9 Å²	64.9	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-55.9	-40.8	-178.2	20.3	-32.8	0	0	0	112.8	T508 L509 V510	P506-T508 PolarHBondContact O-N 2.89Å; P506-L509 WeakPolarHBondContact O-CB 3.5Å; P506-L509 PolarHBondContact O-N 3.22Å; P506-L509 VanDerWaalsContact O-N 3.09Å; P506-V510 PolarHBondContact O-N 3.49Å
507	N	74.7	Confident	74.8	Confident	56 Å²	56	64.1 Å²	64.1	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-29	174.4	-60	-5.3	0	0	0	113.9	M482 H505 L509 V510 I511	M482-N507 HydrophobicContact CE-CB 4.05Å; H505-N507 VanDerWaalsContact C-N 3.29Å; H505-N507 PolarHBondContact CE1-ND2 2.91Å; H505-N507 VanDerWaalsContact ND1-CB 3.25Å; H505-N507 WeakPolarHBondContact ND1-CB 3.28Å; H505-N507 PolarHBondContact ND1-N 3.28Å; H505-N507 PolarHBondContact O-N 3.18Å; N507-L509 VanDerWaalsContact C-N 3.32Å; N507-L509 PolarHBondContact O-N 3.26Å; N507-V510 PolarHBondContact O-N 3.32Å; N507-I511 WeakPolarHBondContact O-CB 3.47Å; N507-I511 WeakPolarHBondContact O-CG1 3.42Å; N507-I511 PolarHBondContact O-N 3.33Å
508	T	79.8	Confident	76.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-38.5	176.1	-55	0	0	0	0	111.1	L504 H505 P506 Q512 H538 L539	L504-T508 HydrophobicContact CD2-CG2 3.84Å; L504-T508 HydrophobicContact CG-CG2 4.42Å; H505-T508 VanDerWaalsContact O-CB 3.29Å; H505-T508 WeakPolarHBondContact O-CB 3.49Å; H505-T508 PolarHBondContact O-N 3.38Å; H505-T508 PolarHBondContact O-OG1 3.34Å; P506-T508 PolarHBondContact O-N 2.89Å; T508-Q512 WeakPolarHBondContact O-CB 3.22Å; T508-Q512 VanDerWaalsContact O-CG 3.24Å; T508-Q512 WeakPolarHBondContact O-CG 3.37Å; T508-Q512 PolarHBondContact O-N 3.17Å; T508-H538 WeakPolarHBondContact CA-NE2 3.3Å; T508-H538 PolarHBondContact OG1-NE2 3.23Å; T508-L539 HydrophobicContact CG2-CD2 4.28Å
509	L	83.4	Confident	77.4	Confident	84 Å²	84	61 Å²	61	44%	0.44	31%	0.307	S	S	.	.	H	α-helix	trans	-68.9	-36.8	175	-63.1	173.6	0	0	0	111.6	L504 P506 N507 K513	L504-L509 HydrophobicContact CD2-CD2 4.07Å; L504-L509 HydrophobicContact CD2-CG 4.5Å; P506-L509 WeakPolarHBondContact O-CB 3.5Å; P506-L509 PolarHBondContact O-N 3.22Å; P506-L509 VanDerWaalsContact O-N 3.09Å; N507-L509 VanDerWaalsContact C-N 3.32Å; N507-L509 PolarHBondContact O-N 3.26Å; L509-K513 WeakPolarHBondContact O-CB 3.26Å; L509-K513 VanDerWaalsContact O-CG 3.22Å; L509-K513 WeakPolarHBondContact O-CG 3.49Å; L509-K513 PolarHBondContact O-N 2.94Å
510	V	85.5	Confident	78.8	Confident	52 Å²	52	64 Å²	64	32%	0.315	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-49.8	175.5	178.6	0	0	0	0	110.1	M482 P506 N507 Q512 K513 L514	M482-V510 HydrophobicContact CE-CG1 4.36Å; P506-V510 PolarHBondContact O-N 3.49Å; N507-V510 PolarHBondContact O-N 3.32Å; V510-Q512 PolarHBondContact O-N 3.44Å; V510-K513 PolarHBondContact O-N 3.25Å; V510-L514 HydrophobicContact CG1-CD1 3.92Å; V510-L514 HydrophobicContact CG1-CG 4.32Å; V510-L514 VanDerWaalsContact O-CG 3.26Å; V510-L514 WeakPolarHBondContact O-CG 3.28Å; V510-L514 PolarHBondContact O-N 3.28Å
511	I	87.8	Confident	79.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-44	179.5	-72.5	165.3	0	0	0	110.9	L479 M482 N507 K513 L514 C515 H538	L479-I511 HydrophobicContact CD2-CB 4.1Å; L479-I511 HydrophobicContact CD2-CG1 3.83Å; L479-I511 HydrophobicContact CD2-CG2 3.86Å; M482-I511 HydrophobicContact CB-CD1 4.37Å; N507-I511 WeakPolarHBondContact O-CB 3.47Å; N507-I511 WeakPolarHBondContact O-CG1 3.42Å; N507-I511 PolarHBondContact O-N 3.33Å; I511-K513 PolarHBondContact O-N 3.03Å; I511-L514 PolarHBondContact O-N 3.28Å; I511-C515 VanDerWaalsContact O-CB 3.3Å; I511-C515 WeakPolarHBondContact O-CB 3.34Å; I511-C515 PolarHBondContact O-N 3.33Å; I511-C515 PolarHBondContact O-SG 3.48Å; I511-H538 HydrophobicContact CD1-CB 4.12Å; I511-H538 WeakPolarHBondContact CD1-CE1 3.41Å; I511-H538 VanDerWaalsContact CD1-CG 3.41Å; I511-H538 WeakPolarHBondContact CD1-ND1 3.37Å; I511-H538 HydrophobicContact CG2-CB 4.5Å
512	Q	88.8	Confident	81.1	Confident	32 Å²	32	51.3 Å²	51.3	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-48.4	175.2	-79.6	170.8	-8.2	0	0	111.9	T508 V510 L514 C515 E516 H535	T508-Q512 WeakPolarHBondContact O-CB 3.22Å; T508-Q512 VanDerWaalsContact O-CG 3.24Å; T508-Q512 WeakPolarHBondContact O-CG 3.37Å; T508-Q512 PolarHBondContact O-N 3.17Å; V510-Q512 PolarHBondContact O-N 3.44Å; Q512-L514 PolarHBondContact O-N 2.87Å; Q512-C515 PolarHBondContact O-N 3.41Å; Q512-E516 VanDerWaalsContact O-CB 3.32Å; Q512-E516 WeakPolarHBondContact O-CB 3.29Å; Q512-E516 VanDerWaalsContact O-CG 3.23Å; Q512-E516 WeakPolarHBondContact O-CG 3.15Å; Q512-E516 PolarHBondContact O-N 2.84Å; Q512-H535 WeakPolarHBondContact CG-NE2 3.16Å
513	K	88.9	Confident	82.1	Confident	148 Å²	148	58.9 Å²	58.9	64%	0.643	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-43.3	177.6	-73.4	173.4	-178.8	-174.5	0	112.7	L509 V510 I511 Y517	L509-K513 WeakPolarHBondContact O-CB 3.26Å; L509-K513 VanDerWaalsContact O-CG 3.22Å; L509-K513 WeakPolarHBondContact O-CG 3.49Å; L509-K513 PolarHBondContact O-N 2.94Å; V510-K513 PolarHBondContact O-N 3.25Å; I511-K513 PolarHBondContact O-N 3.03Å; K513-Y517 WeakPolarHBondContact O-CB 3.47Å; K513-Y517 PolarHBondContact O-N 3.36Å; K513-Y517 VanDerWaalsContact O-N 3.08Å
514	L	89.2	Confident	82.8	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-45.2	178.6	-66.8	175.2	0	0	0	111.1	Y475 K478 L479 V510 I511 Q512 Y517 I518	Y475-L514 HydrophobicContact CD1-CD2 3.46Å; Y475-L514 VanDerWaalsContact CD1-CD2 3.46Å; Y475-L514 HydrophobicContact CD2-CD2 3.9Å; Y475-L514 HydrophobicContact CE1-CD2 3.69Å; Y475-L514 HydrophobicContact CE2-CD2 4.12Å; Y475-L514 HydrophobicContact CG-CD2 3.56Å; K478-L514 HydrophobicContact CD-CD1 4.07Å; K478-L514 HydrophobicContact CG-CD1 4.17Å; L479-L514 HydrophobicContact CD1-CB 4.22Å; L479-L514 HydrophobicContact CD2-CB 3.97Å; L479-L514 HydrophobicContact CD2-CD1 3.92Å; L479-L514 HydrophobicContact CG-CB 4.15Å; L479-L514 HydrophobicContact CG-CD1 4.17Å; V510-L514 HydrophobicContact CG1-CD1 3.92Å; V510-L514 HydrophobicContact CG1-CG 4.32Å; V510-L514 VanDerWaalsContact O-CG 3.26Å; V510-L514 WeakPolarHBondContact O-CG 3.28Å; V510-L514 PolarHBondContact O-N 3.28Å; I511-L514 PolarHBondContact O-N 3.28Å; Q512-L514 PolarHBondContact O-N 2.87Å; L514-Y517 PolarHBondContact O-N 3.04Å; L514-I518 WeakPolarHBondContact O-CG1 3.5Å; L514-I518 PolarHBondContact O-N 2.85Å; L514-I518 VanDerWaalsContact O-N 3.1Å
515	C	89.5	Confident	83.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-43.9	178	-70.4	0	0	0	0	112.1	I511 Q512 Y517 I518 Y519	I511-C515 VanDerWaalsContact O-CB 3.3Å; I511-C515 WeakPolarHBondContact O-CB 3.34Å; I511-C515 PolarHBondContact O-N 3.33Å; I511-C515 PolarHBondContact O-SG 3.48Å; Q512-C515 PolarHBondContact O-N 3.41Å; C515-Y517 VanDerWaalsContact C-N 3.27Å; C515-Y517 PolarHBondContact O-N 3.31Å; C515-I518 PolarHBondContact O-N 3.5Å; C515-I518 VanDerWaalsContact O-N 3.13Å; C515-Y519 HydrophobicContact CB-CE1 4.4Å; C515-Y519 HydrophobicContact CB-CE2 3.91Å; C515-Y519 WeakPolarHBondContact O-CD1 3.37Å; C515-Y519 VanDerWaalsContact O-CD2 3.24Å; C515-Y519 WeakPolarHBondContact O-CD2 3.11Å; C515-Y519 PolarHBondContact O-N 3.32Å
516	E	90.3	Very high	84.6	Confident	110 Å²	110	68.5 Å²	68.5	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-40.7	175.4	-76.7	171.7	-171.3	0	0	111.6	Q512 Y519 L520	Q512-E516 VanDerWaalsContact O-CB 3.32Å; Q512-E516 WeakPolarHBondContact O-CB 3.29Å; Q512-E516 VanDerWaalsContact O-CG 3.23Å; Q512-E516 WeakPolarHBondContact O-CG 3.15Å; Q512-E516 PolarHBondContact O-N 2.84Å; E516-Y519 PolarHBondContact O-N 3.42Å; E516-L520 WeakPolarHBondContact O-CG 3.32Å; E516-L520 PolarHBondContact O-N 3.32Å
517	Y	89.1	Confident	85.3	Confident	67 Å²	67	66.3 Å²	66.3	26%	0.263	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-44	174.8	-171.2	-85.2	0	0	0	112	L471 Y475 K513 L514 C515 L520 N521	L471-Y517 HydrophobicContact CB-CE1 3.92Å; L471-Y517 VanDerWaalsContact CD1-OH 3.27Å; L471-Y517 WeakPolarHBondContact CD1-OH 3.39Å; Y475-Y517 AromaticContact CD2-CD1 3.61Å; Y475-Y517 HydrophobicContact CD2-CD1 3.61Å; Y475-Y517 HydrophobicContact CD2-CE1 4.19Å; Y475-Y517 HydrophobicContact CD2-CG 4.09Å; Y475-Y517 AromaticContact CE2-CD1 3.49Å; Y475-Y517 HydrophobicContact CE2-CD1 3.49Å; Y475-Y517 VanDerWaalsContact CE2-CD1 3.49Å; Y475-Y517 HydrophobicContact CE2-CD2 4.25Å; Y475-Y517 AromaticContact CE2-CE1 3.86Å; Y475-Y517 HydrophobicContact CE2-CE1 3.86Å; Y475-Y517 AromaticContact CE2-CG 3.7Å; Y475-Y517 HydrophobicContact CE2-CG 3.7Å; K513-Y517 WeakPolarHBondContact O-CB 3.47Å; K513-Y517 PolarHBondContact O-N 3.36Å; K513-Y517 VanDerWaalsContact O-N 3.08Å; L514-Y517 PolarHBondContact O-N 3.04Å; C515-Y517 VanDerWaalsContact C-N 3.27Å; C515-Y517 PolarHBondContact O-N 3.31Å; Y517-L520 PolarHBondContact O-N 2.82Å; Y517-N521 HydrophobicContact CD1-CB 4.43Å; Y517-N521 WeakPolarHBondContact CD1-ND2 3.32Å; Y517-N521 VanDerWaalsContact CD2-ND2 3.33Å; Y517-N521 WeakPolarHBondContact CD2-ND2 3.49Å; Y517-N521 HydrophobicContact CE1-CB 4.15Å; Y517-N521 VanDerWaalsContact CE1-ND2 3.27Å; Y517-N521 WeakPolarHBondContact CE1-ND2 3.12Å; Y517-N521 WeakPolarHBondContact CE2-ND2 3.37Å; Y517-N521 WeakPolarHBondContact O-CB 3.3Å; Y517-N521 PolarHBondContact O-N 3.15Å; Y517-N521 VanDerWaalsContact O-N 3.09Å; Y517-N521 PolarHBondContact O-ND2 2.89Å
518	I	89.5	Confident	86.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-41.7	177.2	-65.3	166.5	0	0	0	110.3	C472 L479 L514 C515 L520 N521 D522 A531	C472-I518 HydrophobicContact CB-CG1 4.39Å; L479-I518 HydrophobicContact CD1-CD1 3.57Å; L514-I518 WeakPolarHBondContact O-CG1 3.5Å; L514-I518 PolarHBondContact O-N 2.85Å; L514-I518 VanDerWaalsContact O-N 3.1Å; C515-I518 PolarHBondContact O-N 3.5Å; C515-I518 VanDerWaalsContact O-N 3.13Å; I518-L520 VanDerWaalsContact C-N 3.28Å; I518-L520 PolarHBondContact O-N 3.05Å; I518-N521 PolarHBondContact O-N 2.9Å; I518-D522 HydrophobicContact CG2-CB 4.08Å; I518-D522 WeakPolarHBondContact O-CB 3.44Å; I518-D522 PolarHBondContact O-N 3.19Å; I518-D522 VanDerWaalsContact O-N 3.12Å; I518-A531 HydrophobicContact CB-CB 4.26Å; I518-A531 HydrophobicContact CD1-CB 3.78Å; I518-A531 HydrophobicContact CG2-CB 3.82Å
519	Y	88.5	Confident	86.6	Confident	65 Å²	65	68.2 Å²	68.2	26%	0.255	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-36	179.7	-57.6	-26.8	0	0	0	113.1	C515 E516 R528 A531 I532 H535	C515-Y519 HydrophobicContact CB-CE1 4.4Å; C515-Y519 HydrophobicContact CB-CE2 3.91Å; C515-Y519 WeakPolarHBondContact O-CD1 3.37Å; C515-Y519 VanDerWaalsContact O-CD2 3.24Å; C515-Y519 WeakPolarHBondContact O-CD2 3.11Å; C515-Y519 PolarHBondContact O-N 3.32Å; E516-Y519 PolarHBondContact O-N 3.42Å; Y519-R528 HydrophobicContact CD1-CG 4.42Å; Y519-A531 HydrophobicContact CE1-CB 4.39Å; Y519-I532 HydrophobicContact CD1-CG1 4.27Å; Y519-I532 HydrophobicContact CE1-CB 4.5Å; Y519-I532 HydrophobicContact CE1-CD1 4.34Å; Y519-I532 HydrophobicContact CE1-CG1 3.4Å; Y519-I532 VanDerWaalsContact CE1-CG1 3.4Å; Y519-H535 PolarHBondContact OH-ND1 3.01Å
520	L	88.9	Confident	87	Confident	145 Å²	145	65.9 Å²	65.9	76%	0.759	30%	0.303	S	S	*	.	H	α-helix	trans	-81.6	-37.6	-177.7	-68.5	173.2	0	0	0	113.5	E516 Y517 I518	E516-L520 WeakPolarHBondContact O-CG 3.32Å; E516-L520 PolarHBondContact O-N 3.32Å; Y517-L520 PolarHBondContact O-N 2.82Å; I518-L520 VanDerWaalsContact C-N 3.28Å; I518-L520 PolarHBondContact O-N 3.05Å
521	N	83.2	Confident	87.3	Confident	59 Å²	59	63.4 Å²	63.4	32%	0.316	29%	0.288	S	S	.	.	H	α-helix	trans	-106.6	-12.6	-164.4	-66.1	-38.3	0	0	0	114.3	P468 Y517 I518	P468-N521 HydrophobicContact CB-CB 3.93Å; Y517-N521 HydrophobicContact CD1-CB 4.43Å; Y517-N521 WeakPolarHBondContact CD1-ND2 3.32Å; Y517-N521 VanDerWaalsContact CD2-ND2 3.33Å; Y517-N521 WeakPolarHBondContact CD2-ND2 3.49Å; Y517-N521 HydrophobicContact CE1-CB 4.15Å; Y517-N521 VanDerWaalsContact CE1-ND2 3.27Å; Y517-N521 WeakPolarHBondContact CE1-ND2 3.12Å; Y517-N521 WeakPolarHBondContact CE2-ND2 3.37Å; Y517-N521 WeakPolarHBondContact O-CB 3.3Å; Y517-N521 PolarHBondContact O-N 3.15Å; Y517-N521 VanDerWaalsContact O-N 3.09Å; Y517-N521 PolarHBondContact O-ND2 2.89Å; I518-N521 PolarHBondContact O-N 2.9Å
522	D	81.1	Confident	87.5	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.053	29%	0.294	C	S	.	.			trans	-82.5	127.2	-172.6	-174.5	25.8	0	0	0	113.3	I518 T524 L527 R528	I518-D522 HydrophobicContact CG2-CB 4.08Å; I518-D522 WeakPolarHBondContact O-CB 3.44Å; I518-D522 PolarHBondContact O-N 3.19Å; I518-D522 VanDerWaalsContact O-N 3.12Å; D522-T524 WeakPolarHBondContact OD1-CB 3.39Å; D522-T524 PolarHBondContact OD1-N 3.2Å; D522-L527 WeakPolarHBondContact OD2-CB 3.31Å; D522-R528 PolarHBondContact O-NH1 3.22Å; D522-R528 WeakPolarHBondContact OD2-CB 3.34Å; D522-R528 PolarHBondContact OD2-N 3.08Å
523	R	79.5	Confident	87.8	Confident	201 Å²	201	63 Å²	63	76%	0.758	29%	0.287	S	S	*	.			trans	-90.1	-15.6	173.2	-64.8	177	174.3	177.7	-0.8	112.6
524	T	77.1	Confident	87.9	Confident	69 Å²	69	56 Å²	56	42%	0.423	26%	0.256	S	S	.	.			trans	-103.3	108.1	-171.7	-50.3	0	0	0	0	110.5	D522 R526 L527	D522-T524 WeakPolarHBondContact OD1-CB 3.39Å; D522-T524 PolarHBondContact OD1-N 3.2Å; T524-R526 HydrophobicContact CG2-CB 4.11Å; T524-R526 PolarHBondContact O-N 2.95Å; T524-L527 HydrophobicContact CG2-CG 4.48Å; T524-L527 PolarHBondContact O-N 3.26Å
525	D	82.8	Confident	88.1	Confident	112 Å²	112	56 Å²	56	60%	0.599	26%	0.256	S	S	*	.	H	α-helix	trans	-50.8	-29.3	-177.9	-67.1	-41.9	0	0	0	114.8	R528 T529	D525-R528 IonicContact OD1-CZ 2.83Å; D525-R528 IonicContact OD1-NE 2.66Å; D525-R528 IonicContact OD1-NH2 3.65Å; D525-R528 PolarHBondContact OD1-NH2 3.5Å; D525-T529 WeakPolarHBondContact O-CB 3.46Å; D525-T529 PolarHBondContact O-N 3.43Å; D525-T529 PolarHBondContact O-OG1 2.66Å
526	R	86.5	Confident	88.3	Confident	136 Å²	136	56 Å²	56	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-47.4	178.3	-171	179	-178.9	-155.8	-1.7	113.5	T524 T529 R530 D565	T524-R526 HydrophobicContact CG2-CB 4.11Å; T524-R526 PolarHBondContact O-N 2.95Å; R526-T529 PolarHBondContact O-N 3.23Å; R526-R530 WeakPolarHBondContact O-CG 3.37Å; R526-R530 PolarHBondContact O-N 3.22Å; R526-D565 IonicContact CZ-OD2 2.76Å; R526-D565 VanDerWaalsContact CZ-OD2 3.24Å; R526-D565 IonicContact NE-OD1 3.11Å; R526-D565 IonicContact NE-OD2 3.87Å; R526-D565 PolarHBondContact NE-OD2 3.09Å; R526-D565 IonicContact NH2-OD2 2.82Å; R526-D565 PolarHBondContact NH2-OD2 3.35Å
527	L	87.7	Confident	88.5	Confident	33 Å²	33	51.4 Å²	51.4	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-44	-175.1	-57.7	173.7	0	0	0	109.8	C472 L476 D522 T524 T529 R530 A531	C472-L527 HydrophobicContact CB-CD1 4.39Å; L476-L527 HydrophobicContact CD2-CB 4.49Å; L476-L527 HydrophobicContact CD2-CD2 3.35Å; D522-L527 WeakPolarHBondContact OD2-CB 3.31Å; T524-L527 HydrophobicContact CG2-CG 4.48Å; T524-L527 PolarHBondContact O-N 3.26Å; L527-T529 PolarHBondContact O-N 3.38Å; L527-R530 PolarHBondContact O-N 3.38Å; L527-A531 WeakPolarHBondContact O-CB 3.42Å; L527-A531 PolarHBondContact O-N 3.34Å
528	R	90.1	Very high	88.6	Confident	69 Å²	69	48.3 Å²	48.3	26%	0.26	22%	0.222	S	C	.	.	H	α-helix	trans	-52.8	-50.5	170.4	171.1	167.1	46.9	-119.3	-3	112.2	Y519 D522 D525 R530 A531 I532	Y519-R528 HydrophobicContact CD1-CG 4.42Å; D522-R528 PolarHBondContact O-NH1 3.22Å; D522-R528 WeakPolarHBondContact OD2-CB 3.34Å; D522-R528 PolarHBondContact OD2-N 3.08Å; D525-R528 IonicContact OD1-CZ 2.83Å; D525-R528 IonicContact OD1-NE 2.66Å; D525-R528 IonicContact OD1-NH2 3.65Å; D525-R528 PolarHBondContact OD1-NH2 3.5Å; R528-R530 PolarHBondContact O-N 2.85Å; R528-A531 PolarHBondContact O-N 3.48Å; R528-I532 HydrophobicContact CG-CD1 3.99Å; R528-I532 VanDerWaalsContact O-CG1 3.29Å; R528-I532 WeakPolarHBondContact O-CG1 3.38Å; R528-I532 PolarHBondContact O-N 2.92Å
529	T	91.1	Very high	88.7	Confident	28 Å²	28	48.4 Å²	48.4	17%	0.172	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-47.6	179.8	-60.7	0	0	0	0	111.8	D525 R526 L527 A531 I532 L533 L557 T568	D525-T529 WeakPolarHBondContact O-CB 3.46Å; D525-T529 PolarHBondContact O-N 3.43Å; D525-T529 PolarHBondContact O-OG1 2.66Å; R526-T529 PolarHBondContact O-N 3.23Å; L527-T529 PolarHBondContact O-N 3.38Å; T529-A531 PolarHBondContact O-N 3.4Å; T529-I532 PolarHBondContact O-N 3.43Å; T529-L533 HydrophobicContact CG2-CD1 4.38Å; T529-L533 WeakPolarHBondContact O-CG 3.25Å; T529-L533 PolarHBondContact O-N 3.03Å; T529-L533 VanDerWaalsContact O-N 3.12Å; T529-L557 HydrophobicContact CG2-CD1 4.39Å; T529-L557 HydrophobicContact CG2-CD2 3.55Å; T529-T568 HydrophobicContact CG2-CG2 3.95Å
530	R	91.6	Very high	88.8	Confident	34 Å²	34	45.3 Å²	45.3	13%	0.128	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-41.6	177.5	-68.5	-179.9	69.3	79	-2	112.2	L476 E480 R526 L527 R528 I532 L533 C534 T568 L571	L476-R530 HydrophobicContact CD1-CB 3.9Å; L476-R530 HydrophobicContact CD2-CB 4.37Å; E480-R530 IonicContact OE1-CZ 3.41Å; E480-R530 VanDerWaalsContact OE1-CZ 3.24Å; E480-R530 IonicContact OE1-NE 3.64Å; E480-R530 PolarHBondContact OE1-NE 2.88Å; E480-R530 IonicContact OE1-NH2 3.7Å; E480-R530 PolarHBondContact OE1-NH2 3.41Å; E480-R530 IonicContact OE2-NH2 2.73Å; R526-R530 WeakPolarHBondContact O-CG 3.37Å; R526-R530 PolarHBondContact O-N 3.22Å; L527-R530 PolarHBondContact O-N 3.38Å; R528-R530 PolarHBondContact O-N 2.85Å; R530-I532 PolarHBondContact O-N 3.4Å; R530-L533 PolarHBondContact O-N 3.19Å; R530-C534 PolarHBondContact O-N 3.03Å; R530-C534 PolarHBondContact O-SG 3.14Å; R530-C534 VanDerWaalsContact O-SG 3.38Å; R530-T568 HydrophobicContact CG-CG2 4.18Å; R530-T568 PolarHBondContact NH1-OG1 2.85Å; R530-L571 HydrophobicContact CB-CD2 4.47Å
531	A	92.3	Very high	88.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-40.7	177.6	0	0	0	0	0	112.3	L479 I518 Y519 L527 R528 T529 C534 H535	L479-A531 HydrophobicContact CD1-CB 4.38Å; I518-A531 HydrophobicContact CB-CB 4.26Å; I518-A531 HydrophobicContact CD1-CB 3.78Å; I518-A531 HydrophobicContact CG2-CB 3.82Å; Y519-A531 HydrophobicContact CE1-CB 4.39Å; L527-A531 WeakPolarHBondContact O-CB 3.42Å; L527-A531 PolarHBondContact O-N 3.34Å; R528-A531 PolarHBondContact O-N 3.48Å; T529-A531 PolarHBondContact O-N 3.4Å; A531-C534 PolarHBondContact O-N 3.48Å; A531-H535 WeakPolarHBondContact O-CB 3.27Å; A531-H535 PolarHBondContact O-N 3.22Å
532	I	92.8	Very high	88.9	Confident	24 Å²	24	36.6 Å²	36.6	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-47.5	174.3	-66.7	167.8	0	0	0	110.3	Y519 R528 T529 R530 H535 I536 L557	Y519-I532 HydrophobicContact CD1-CG1 4.27Å; Y519-I532 HydrophobicContact CE1-CB 4.5Å; Y519-I532 HydrophobicContact CE1-CD1 4.34Å; Y519-I532 HydrophobicContact CE1-CG1 3.4Å; Y519-I532 VanDerWaalsContact CE1-CG1 3.4Å; R528-I532 HydrophobicContact CG-CD1 3.99Å; R528-I532 VanDerWaalsContact O-CG1 3.29Å; R528-I532 WeakPolarHBondContact O-CG1 3.38Å; R528-I532 PolarHBondContact O-N 2.92Å; T529-I532 PolarHBondContact O-N 3.43Å; R530-I532 PolarHBondContact O-N 3.4Å; I532-H535 WeakPolarHBondContact O-CB 3.44Å; I532-H535 PolarHBondContact O-N 3.42Å; I532-I536 HydrophobicContact CG2-CD1 3.68Å; I532-I536 HydrophobicContact CG2-CG1 4.35Å; I532-I536 VanDerWaalsContact O-CG1 3.32Å; I532-I536 WeakPolarHBondContact O-CG1 3.07Å; I532-I536 PolarHBondContact O-N 3.49Å; I532-L557 HydrophobicContact CG2-CD1 4.01Å
533	L	93.8	Very high	89.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-42.9	-179.4	-65.8	174.8	0	0	0	112.5	T529 R530 H535 I536 Y537 L557 T568 L571 Y572 A575	T529-L533 HydrophobicContact CG2-CD1 4.38Å; T529-L533 WeakPolarHBondContact O-CG 3.25Å; T529-L533 PolarHBondContact O-N 3.03Å; T529-L533 VanDerWaalsContact O-N 3.12Å; R530-L533 PolarHBondContact O-N 3.19Å; L533-H535 VanDerWaalsContact C-N 3.31Å; L533-H535 PolarHBondContact O-N 3.13Å; L533-I536 PolarHBondContact O-N 3.01Å; L533-Y537 WeakPolarHBondContact O-CB 3.5Å; L533-Y537 PolarHBondContact O-N 3.13Å; L533-L557 HydrophobicContact CD2-CD1 3.75Å; L533-L557 HydrophobicContact CG-CD1 4.16Å; L533-T568 HydrophobicContact CD1-CG2 3.87Å; L533-L571 HydrophobicContact CB-CD2 3.81Å; L533-L571 HydrophobicContact CB-CG 3.86Å; L533-L571 HydrophobicContact CD1-CB 4.33Å; L533-L571 HydrophobicContact CD1-CD2 4.17Å; L533-L571 HydrophobicContact CD1-CG 4.13Å; L533-Y572 HydrophobicContact CD2-CD2 3.91Å; L533-A575 HydrophobicContact CD2-CB 4.39Å
534	C	92.5	Very high	89.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-40.1	173.4	-70.2	0	0	0	0	111.6	Y483 R530 A531 Y537 H538	Y483-C534 HydrophobicContact CG-CB 4.17Å; R530-C534 PolarHBondContact O-N 3.03Å; R530-C534 PolarHBondContact O-SG 3.14Å; R530-C534 VanDerWaalsContact O-SG 3.38Å; A531-C534 PolarHBondContact O-N 3.48Å; C534-Y537 PolarHBondContact O-N 3.22Å; C534-H538 WeakPolarHBondContact O-CB 3.45Å; C534-H538 PolarHBondContact O-N 3.31Å
535	H	93	Very high	90.1	Very high	14 Å²	14	25 Å²	25	7%	0.065	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-46.4	177	-168.7	-162.4	0	0	0	111.8	Q512 Y519 A531 I532 L533 Y537 H538 L539 L551	Q512-H535 WeakPolarHBondContact CG-NE2 3.16Å; Y519-H535 PolarHBondContact OH-ND1 3.01Å; A531-H535 WeakPolarHBondContact O-CB 3.27Å; A531-H535 PolarHBondContact O-N 3.22Å; I532-H535 WeakPolarHBondContact O-CB 3.44Å; I532-H535 PolarHBondContact O-N 3.42Å; L533-H535 VanDerWaalsContact C-N 3.31Å; L533-H535 PolarHBondContact O-N 3.13Å; H535-Y537 VanDerWaalsContact C-N 3.34Å; H535-Y537 PolarHBondContact O-N 3.45Å; H535-H538 PolarHBondContact O-N 2.97Å; H535-L539 WeakPolarHBondContact NE2-CD1 3.27Å; H535-L539 WeakPolarHBondContact O-CB 3.33Å; H535-L539 VanDerWaalsContact O-CG 3.27Å; H535-L539 WeakPolarHBondContact O-CG 3.47Å; H535-L539 PolarHBondContact O-N 2.98Å; H535-L551 WeakPolarHBondContact ND1-CD1 3.43Å
536	I	93.6	Very high	90.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.6	-45.5	176.9	-68.2	165.1	0	0	0	110.4	I532 L533 H538 L539 A540 A548 L551 M552 L579	I532-I536 HydrophobicContact CG2-CD1 3.68Å; I532-I536 HydrophobicContact CG2-CG1 4.35Å; I532-I536 VanDerWaalsContact O-CG1 3.32Å; I532-I536 WeakPolarHBondContact O-CG1 3.07Å; I532-I536 PolarHBondContact O-N 3.49Å; L533-I536 PolarHBondContact O-N 3.01Å; I536-H538 PolarHBondContact O-N 3.46Å; I536-L539 PolarHBondContact O-N 2.94Å; I536-A540 VanDerWaalsContact O-CB 3.23Å; I536-A540 WeakPolarHBondContact O-CB 3.42Å; I536-A540 PolarHBondContact O-N 2.6Å; I536-A548 HydrophobicContact CG2-CB 4.35Å; I536-L551 HydrophobicContact CD1-CB 4.35Å; I536-L551 HydrophobicContact CG1-CB 3.87Å; I536-M552 HydrophobicContact CD1-CB 3.97Å; I536-M552 HydrophobicContact CD1-CE 3.98Å; I536-M552 HydrophobicContact CD1-SD 3.99Å; I536-M552 HydrophobicContact CG2-CE 4.09Å; I536-L579 HydrophobicContact CG2-CD1 4.19Å
537	Y	94.2	Very high	90.8	Very high	13 Å²	13	23.6 Å²	23.6	5%	0.051	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-47.5	179	-169.7	-73.2	0	0	0	111.4	Y483 L533 C534 H535 A540 L541 R574 A575 Q578 I640	Y483-Y537 AromaticContact CD2-CD1 3.4Å; Y483-Y537 HydrophobicContact CD2-CD1 3.4Å; Y483-Y537 HydrophobicContact CD2-CD2 4.25Å; Y483-Y537 HydrophobicContact CD2-CE1 4.04Å; Y483-Y537 AromaticContact CD2-CG 3.53Å; Y483-Y537 HydrophobicContact CD2-CG 3.53Å; Y483-Y537 AromaticContact CE2-CD1 3.77Å; Y483-Y537 HydrophobicContact CE2-CD1 3.77Å; Y483-Y537 AromaticContact CE2-CD2 3.93Å; Y483-Y537 HydrophobicContact CE2-CD2 3.93Å; Y483-Y537 HydrophobicContact CE2-CE1 4.09Å; Y483-Y537 HydrophobicContact CE2-CE2 4.24Å; Y483-Y537 AromaticContact CE2-CG 3.69Å; Y483-Y537 HydrophobicContact CE2-CG 3.69Å; Y483-Y537 WeakPolarHBondContact O-CD1 3.45Å; L533-Y537 WeakPolarHBondContact O-CB 3.5Å; L533-Y537 PolarHBondContact O-N 3.13Å; C534-Y537 PolarHBondContact O-N 3.22Å; H535-Y537 VanDerWaalsContact C-N 3.34Å; H535-Y537 PolarHBondContact O-N 3.45Å; Y537-A540 PolarHBondContact O-N 2.93Å; Y537-L541 WeakPolarHBondContact O-CB 3.19Å; Y537-L541 PolarHBondContact O-N 2.93Å; Y537-R574 HydrophobicContact CE2-CB 4.28Å; Y537-A575 HydrophobicContact CD2-CB 4.47Å; Y537-Q578 HydrophobicContact CD1-CG 4.3Å; Y537-Q578 HydrophobicContact CD2-CB 3.89Å; Y537-Q578 HydrophobicContact CD2-CG 4.16Å; Y537-Q578 HydrophobicContact CE1-CG 4.23Å; Y537-Q578 HydrophobicContact CE2-CB 3.84Å; Y537-Q578 HydrophobicContact CE2-CG 4.08Å; Y537-Q578 HydrophobicContact CG-CB 4.43Å; Y537-Q578 HydrophobicContact CG-CG 4.27Å; Y537-I640 HydrophobicContact CE2-CD1 4.28Å
538	H	91.5	Very high	91	Very high	2 Å²	2	22 Å²	22	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-62.1	-49.4	177.5	-177.7	81.7	0	0	0	111.1	T508 I511 C534 H535 I536 A540 L541 Y542	T508-H538 WeakPolarHBondContact CA-NE2 3.3Å; T508-H538 PolarHBondContact OG1-NE2 3.23Å; I511-H538 HydrophobicContact CD1-CB 4.12Å; I511-H538 WeakPolarHBondContact CD1-CE1 3.41Å; I511-H538 VanDerWaalsContact CD1-CG 3.41Å; I511-H538 WeakPolarHBondContact CD1-ND1 3.37Å; I511-H538 HydrophobicContact CG2-CB 4.5Å; C534-H538 WeakPolarHBondContact O-CB 3.45Å; C534-H538 PolarHBondContact O-N 3.31Å; H535-H538 PolarHBondContact O-N 2.97Å; I536-H538 PolarHBondContact O-N 3.46Å; H538-A540 VanDerWaalsContact C-N 3.29Å; H538-A540 PolarHBondContact O-N 3.16Å; H538-L541 WeakPolarHBondContact O-CB 3.18Å; H538-L541 PolarHBondContact O-N 3.03Å; H538-Y542 AromaticContact CD2-CD2 3.95Å; H538-Y542 AromaticContact CE1-CD2 3.41Å; H538-Y542 VanDerWaalsContact CE1-CD2 3.41Å; H538-Y542 WeakPolarHBondContact CE1-CD2 3.27Å; H538-Y542 AromaticContact CE1-CE2 2.92Å; H538-Y542 WeakPolarHBondContact CE1-CE2 3.49Å; H538-Y542 AromaticContact CE1-CZ 3.71Å; H538-Y542 AromaticContact ND1-CD2 3.78Å; H538-Y542 AromaticContact ND1-CE2 3.36Å; H538-Y542 WeakPolarHBondContact ND1-CE2 3.47Å; H538-Y542 AromaticContact NE2-CD2 3.48Å; H538-Y542 WeakPolarHBondContact NE2-CD2 3.39Å; H538-Y542 AromaticContact NE2-CE2 3.49Å; H538-Y542 WeakPolarHBondContact NE2-CE2 3.23Å; H538-Y542 VanDerWaalsContact O-CD2 3.3Å; H538-Y542 WeakPolarHBondContact O-CD2 3.4Å; H538-Y542 PolarHBondContact O-N 3.3Å; H538-Y542 VanDerWaalsContact O-N 3.15Å
539	L	90.5	Very high	91.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-40.3	178.4	-70.3	172	0	0	0	112.6	T508 H535 I536 L541 Y542 Q544 K547 A548 L551	T508-L539 HydrophobicContact CG2-CD2 4.28Å; H535-L539 WeakPolarHBondContact NE2-CD1 3.27Å; H535-L539 WeakPolarHBondContact O-CB 3.33Å; H535-L539 VanDerWaalsContact O-CG 3.27Å; H535-L539 WeakPolarHBondContact O-CG 3.47Å; H535-L539 PolarHBondContact O-N 2.98Å; I536-L539 PolarHBondContact O-N 2.94Å; L539-L541 VanDerWaalsContact C-N 3.35Å; L539-Y542 PolarHBondContact O-N 3.15Å; L539-Q544 HydrophobicContact CB-CB 4.41Å; L539-Q544 HydrophobicContact CD2-CB 4.28Å; L539-Q544 PolarHBondContact O-N 3.19Å; L539-K547 HydrophobicContact CD1-CB 4.09Å; L539-A548 HydrophobicContact CB-CB 3.95Å; L539-L551 HydrophobicContact CD1-CD1 3.24Å
540	A	91.2	Very high	91.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-41.6	174.6	0	0	0	0	0	110.8	I536 Y537 H538 Y542 N543 A548 Q578 C582 R585	I536-A540 VanDerWaalsContact O-CB 3.23Å; I536-A540 WeakPolarHBondContact O-CB 3.42Å; I536-A540 PolarHBondContact O-N 2.6Å; Y537-A540 PolarHBondContact O-N 2.93Å; H538-A540 VanDerWaalsContact C-N 3.29Å; H538-A540 PolarHBondContact O-N 3.16Å; A540-Y542 PolarHBondContact O-N 2.97Å; A540-N543 PolarHBondContact O-N 3.22Å; A540-A548 HydrophobicContact CB-CB 4.4Å; A540-Q578 HydrophobicContact CB-CB 4.42Å; A540-Q578 HydrophobicContact CB-CG 3.84Å; A540-C582 HydrophobicContact CB-CB 3.91Å; A540-C582 WeakPolarHBondContact O-CB 3.36Å; A540-C582 PolarHBondContact O-SG 2.69Å; A540-C582 VanDerWaalsContact O-SG 3.34Å; A540-R585 PolarHBondContact O-NH2 2.88Å
541	L	89.3	Confident	91.3	Very high	21 Å²	21	24.5 Å²	24.5	11%	0.11	11%	0.111	C	C	.	.	H	α-helix	trans	-58.2	-44.2	177.2	-171.2	67.1	0	0	0	112.6	F486 Y537 H538 L539 N543 Q578 R585	F486-L541 HydrophobicContact CB-CD1 4.42Å; F486-L541 HydrophobicContact CB-CD2 3.97Å; F486-L541 HydrophobicContact CB-CG 4.38Å; F486-L541 HydrophobicContact CD2-CD1 4.27Å; F486-L541 HydrophobicContact CD2-CD2 4.03Å; F486-L541 HydrophobicContact CD2-CG 3.79Å; F486-L541 HydrophobicContact CG-CG 4.49Å; Y537-L541 WeakPolarHBondContact O-CB 3.19Å; Y537-L541 PolarHBondContact O-N 2.93Å; H538-L541 WeakPolarHBondContact O-CB 3.18Å; H538-L541 PolarHBondContact O-N 3.03Å; L539-L541 VanDerWaalsContact C-N 3.35Å; L541-N543 VanDerWaalsContact C-N 3.26Å; L541-N543 PolarHBondContact O-N 3.43Å; L541-Q578 VanDerWaalsContact CD1-NE2 3.29Å; L541-R585 PolarHBondContact O-NH1 3.06Å
542	Y	85.4	Confident	91.2	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	25.5	-179.8	-69.3	-92.2	0	0	0	114.3	K485 F486 D487 W490 H505 H538 L539 A540 Q544	K485-Y542 PolarHBondContact O-OH 3.11Å; F486-Y542 HydrophobicContact CD2-CE1 4.29Å; F486-Y542 HydrophobicContact CE2-CD1 4.25Å; F486-Y542 HydrophobicContact CE2-CE1 4.1Å; D487-Y542 PolarHBondContact N-OH 2.91Å; W490-Y542 HydrophobicContact CD2-CD1 4.41Å; W490-Y542 HydrophobicContact CD2-CE1 4.32Å; W490-Y542 AromaticContact CE3-CD1 3.75Å; W490-Y542 HydrophobicContact CE3-CD1 3.75Å; W490-Y542 AromaticContact CE3-CE1 3.81Å; W490-Y542 HydrophobicContact CE3-CE1 3.81Å; W490-Y542 AromaticContact CH2-CD1 3.79Å; W490-Y542 HydrophobicContact CH2-CD1 3.79Å; W490-Y542 HydrophobicContact CZ2-CD1 4.42Å; W490-Y542 AromaticContact CZ3-CD1 3.43Å; W490-Y542 HydrophobicContact CZ3-CD1 3.43Å; W490-Y542 VanDerWaalsContact CZ3-CD1 3.43Å; W490-Y542 AromaticContact CZ3-CE1 3.99Å; W490-Y542 HydrophobicContact CZ3-CE1 3.99Å; H505-Y542 HydrophobicContact CB-CD1 3.95Å; H505-Y542 HydrophobicContact CB-CE1 3.66Å; H505-Y542 AromaticContact CD2-CE1 3.5Å; H505-Y542 AromaticContact CG-CE1 3.57Å; H538-Y542 AromaticContact CD2-CD2 3.95Å; H538-Y542 AromaticContact CE1-CD2 3.41Å; H538-Y542 VanDerWaalsContact CE1-CD2 3.41Å; H538-Y542 WeakPolarHBondContact CE1-CD2 3.27Å; H538-Y542 AromaticContact CE1-CE2 2.92Å; H538-Y542 WeakPolarHBondContact CE1-CE2 3.49Å; H538-Y542 AromaticContact CE1-CZ 3.71Å; H538-Y542 AromaticContact ND1-CD2 3.78Å; H538-Y542 AromaticContact ND1-CE2 3.36Å; H538-Y542 WeakPolarHBondContact ND1-CE2 3.47Å; H538-Y542 AromaticContact NE2-CD2 3.48Å; H538-Y542 WeakPolarHBondContact NE2-CD2 3.39Å; H538-Y542 AromaticContact NE2-CE2 3.49Å; H538-Y542 WeakPolarHBondContact NE2-CE2 3.23Å; H538-Y542 VanDerWaalsContact O-CD2 3.3Å; H538-Y542 WeakPolarHBondContact O-CD2 3.4Å; H538-Y542 PolarHBondContact O-N 3.3Å; H538-Y542 VanDerWaalsContact O-N 3.15Å; L539-Y542 PolarHBondContact O-N 3.15Å; A540-Y542 PolarHBondContact O-N 2.97Å; Y542-Q544 PolarHBondContact O-N 2.87Å; Y542-Q544 VanDerWaalsContact O-N 3.14Å
543	N	84	Confident	91.2	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	18.1	176.2	-76	-21.8	0	0	0	115.2	A540 L541 W545 R585 Q586 F733 E734	A540-N543 PolarHBondContact O-N 3.22Å; L541-N543 VanDerWaalsContact C-N 3.26Å; L541-N543 PolarHBondContact O-N 3.43Å; N543-W545 VanDerWaalsContact C-N 3.31Å; N543-W545 PolarHBondContact O-N 3.34Å; N543-W545 VanDerWaalsContact O-N 3.1Å; N543-R585 WeakPolarHBondContact OD1-CD 2.75Å; N543-R585 PolarHBondContact OD1-NE 2.85Å; N543-R585 PolarHBondContact OD1-NH1 2.74Å; N543-Q586 PolarHBondContact O-NE2 3.32Å; N543-F733 WeakPolarHBondContact ND2-CD1 3.2Å; N543-E734 PolarHBondContact ND2-OE2 2.81Å
544	Q	87.2	Confident	91.1	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.098	16%	0.162	C	C	.	.			trans	-88.6	65	177.5	-62.6	-174.1	21.5	0	0	111.5	L539 Y542 F546 K547 A548	L539-Q544 HydrophobicContact CB-CB 4.41Å; L539-Q544 HydrophobicContact CD2-CB 4.28Å; L539-Q544 PolarHBondContact O-N 3.19Å; Y542-Q544 PolarHBondContact O-N 2.87Å; Y542-Q544 VanDerWaalsContact O-N 3.14Å; Q544-F546 PolarHBondContact O-N 3.14Å; Q544-K547 PolarHBondContact O-N 3.35Å; Q544-A548 WeakPolarHBondContact O-CB 3.41Å; Q544-A548 PolarHBondContact O-N 2.97Å; Q544-A548 VanDerWaalsContact O-N 3.13Å
545	W	90.7	Very high	90.8	Very high	10 Å²	10	36 Å²	36	4%	0.038	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-48.7	-173.1	179.3	73.4	0	0	0	113.8	N543 K547 A548 R549 Q586 H588 D591	N543-W545 VanDerWaalsContact C-N 3.31Å; N543-W545 PolarHBondContact O-N 3.34Å; N543-W545 VanDerWaalsContact O-N 3.1Å; W545-K547 PolarHBondContact O-N 3.39Å; W545-A548 PolarHBondContact O-N 2.87Å; W545-R549 WeakPolarHBondContact O-CB 3.37Å; W545-R549 PolarHBondContact O-N 3.47Å; W545-Q586 HydrophobicContact CB-CG 4.01Å; W545-H588 AromaticContact CD2-CD2 3.8Å; W545-H588 AromaticContact CE3-CD2 3.58Å; W545-H588 AromaticContact CE3-NE2 3.62Å; W545-H588 AromaticContact CH2-CD2 4Å; W545-H588 HydrophobicContact CZ2-CB 4.44Å; W545-H588 AromaticContact CZ3-CD2 3.67Å; W545-H588 AromaticContact CZ3-CE1 3.99Å; W545-H588 AromaticContact CZ3-NE2 3.53Å; W545-D591 HydrophobicContact CZ2-CB 4.2Å; W545-D591 WeakPolarHBondContact CZ2-OD2 3.48Å
546	F	92.9	Very high	90.6	Very high	119 Å²	119	40.7 Å²	40.7	52%	0.522	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-47.5	-177	-66.4	-76.7	0	0	0	112.3	Q544 A548 R549 D550	Q544-F546 PolarHBondContact O-N 3.14Å; F546-A548 PolarHBondContact O-N 3.26Å; F546-R549 PolarHBondContact O-N 3.36Å; F546-D550 WeakPolarHBondContact O-CB 3.27Å; F546-D550 PolarHBondContact O-N 2.94Å
547	K	91.3	Very high	90.3	Very high	100 Å²	100	41 Å²	41	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-64.9	-41.1	178.5	-64.4	-174.3	-173.3	172.9	0	112	L539 Q544 W545 D550 L551	L539-K547 HydrophobicContact CD1-CB 4.09Å; Q544-K547 PolarHBondContact O-N 3.35Å; W545-K547 PolarHBondContact O-N 3.39Å; K547-D550 PolarHBondContact O-N 3.49Å; K547-L551 WeakPolarHBondContact O-CB 3.12Å; K547-L551 WeakPolarHBondContact O-CD1 3.34Å; K547-L551 WeakPolarHBondContact O-CG 3.3Å; K547-L551 PolarHBondContact O-N 3.15Å
548	A	92.7	Very high	89.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-44	178.1	0	0	0	0	0	111.7	I536 L539 A540 Q544 W545 F546 L551 M552	I536-A548 HydrophobicContact CG2-CB 4.35Å; L539-A548 HydrophobicContact CB-CB 3.95Å; A540-A548 HydrophobicContact CB-CB 4.4Å; Q544-A548 WeakPolarHBondContact O-CB 3.41Å; Q544-A548 PolarHBondContact O-N 2.97Å; Q544-A548 VanDerWaalsContact O-N 3.13Å; W545-A548 PolarHBondContact O-N 2.87Å; F546-A548 PolarHBondContact O-N 3.26Å; A548-L551 PolarHBondContact O-N 3.14Å; A548-M552 WeakPolarHBondContact O-CB 3.3Å; A548-M552 PolarHBondContact O-N 2.9Å
549	R	92.2	Very high	89.5	Confident	86 Å²	86	52.9 Å²	52.9	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-49	175.5	-177.7	-160.7	68.5	-174.6	0.8	111.1	W545 F546 L551 M552 L553	W545-R549 WeakPolarHBondContact O-CB 3.37Å; W545-R549 PolarHBondContact O-N 3.47Å; F546-R549 PolarHBondContact O-N 3.36Å; R549-L551 VanDerWaalsContact C-N 3.31Å; R549-L551 PolarHBondContact O-N 2.87Å; R549-M552 PolarHBondContact O-N 3.49Å; R549-L553 HydrophobicContact CG-CD1 4.01Å; R549-L553 WeakPolarHBondContact O-CG 3.27Å; R549-L553 PolarHBondContact O-N 2.85Å
550	D	93.8	Very high	89.3	Confident	62 Å²	62	55.7 Å²	55.7	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-39.2	-177.4	-62.9	-11.8	0	0	0	110.3	F546 K547 L553 M554	F546-D550 WeakPolarHBondContact O-CB 3.27Å; F546-D550 PolarHBondContact O-N 2.94Å; K547-D550 PolarHBondContact O-N 3.49Å; D550-L553 PolarHBondContact O-N 3.34Å; D550-M554 HydrophobicContact CB-CE 4.14Å; D550-M554 VanDerWaalsContact O-CB 3.26Å; D550-M554 WeakPolarHBondContact O-CB 3.34Å; D550-M554 WeakPolarHBondContact O-CE 3.41Å; D550-M554 WeakPolarHBondContact O-CG 3.49Å; D550-M554 PolarHBondContact O-N 3.42Å
551	L	92.3	Very high	89.1	Confident	35 Å²	35	56.4 Å²	56.4	18%	0.183	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-41.3	173.4	-76.8	165.3	0	0	0	113.3	H535 I536 L539 K547 A548 R549 L553 M554 S555	H535-L551 WeakPolarHBondContact ND1-CD1 3.43Å; I536-L551 HydrophobicContact CD1-CB 4.35Å; I536-L551 HydrophobicContact CG1-CB 3.87Å; L539-L551 HydrophobicContact CD1-CD1 3.24Å; K547-L551 WeakPolarHBondContact O-CB 3.12Å; K547-L551 WeakPolarHBondContact O-CD1 3.34Å; K547-L551 WeakPolarHBondContact O-CG 3.3Å; K547-L551 PolarHBondContact O-N 3.15Å; A548-L551 PolarHBondContact O-N 3.14Å; R549-L551 VanDerWaalsContact C-N 3.31Å; R549-L551 PolarHBondContact O-N 2.87Å; L551-L553 VanDerWaalsContact C-N 3.34Å; L551-M554 HydrophobicContact CD2-CE 3.87Å; L551-M554 HydrophobicContact CG-CE 4.1Å; L551-M554 PolarHBondContact O-N 2.9Å; L551-S555 WeakPolarHBondContact O-CB 2.92Å; L551-S555 PolarHBondContact O-N 2.98Å; L551-S555 PolarHBondContact O-OG 3.49Å
552	M	91.1	Very high	89	Confident	7 Å²	7	62.8 Å²	62.8	3%	0.034	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-46.3	175.5	-175.6	62.9	84.9	0	0	110.8	I536 A548 R549 S555 Y572 M576 L579	I536-M552 HydrophobicContact CD1-CB 3.97Å; I536-M552 HydrophobicContact CD1-CE 3.98Å; I536-M552 HydrophobicContact CD1-SD 3.99Å; I536-M552 HydrophobicContact CG2-CE 4.09Å; A548-M552 WeakPolarHBondContact O-CB 3.3Å; A548-M552 PolarHBondContact O-N 2.9Å; R549-M552 PolarHBondContact O-N 3.49Å; M552-S555 PolarHBondContact O-N 3.35Å; M552-S555 PolarHBondContact O-OG 3.38Å; M552-Y572 HydrophobicContact CE-CE2 4.31Å; M552-Y572 HydrophobicContact SD-CE2 4.07Å; M552-M576 HydrophobicContact CE-CE 4.02Å; M552-M576 HydrophobicContact SD-CE 4.41Å; M552-L579 HydrophobicContact CB-CD1 4.06Å; M552-L579 HydrophobicContact CE-CD1 4.36Å; M552-L579 HydrophobicContact CG-CD1 4.34Å
553	L	92.3	Very high	89	Confident	94 Å²	94	70.7 Å²	70.7	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-70	-39.4	179.2	-67.8	174	0	0	0	112.9	R549 D550 L551 S555 D556	R549-L553 HydrophobicContact CG-CD1 4.01Å; R549-L553 WeakPolarHBondContact O-CG 3.27Å; R549-L553 PolarHBondContact O-N 2.85Å; D550-L553 PolarHBondContact O-N 3.34Å; L551-L553 VanDerWaalsContact C-N 3.34Å; L553-S555 PolarHBondContact O-N 2.91Å; L553-D556 PolarHBondContact O-N 3.41Å
554	M	90.7	Very high	89.2	Confident	136 Å²	136	72 Å²	72	67%	0.67	36%	0.357	S	S	*	.	H	α-helix	trans	-64.9	-24.2	178	-78.6	-174.7	-69.7	0	0	113.2	D550 L551	D550-M554 HydrophobicContact CB-CE 4.14Å; D550-M554 VanDerWaalsContact O-CB 3.26Å; D550-M554 WeakPolarHBondContact O-CB 3.34Å; D550-M554 WeakPolarHBondContact O-CE 3.41Å; D550-M554 WeakPolarHBondContact O-CG 3.49Å; D550-M554 PolarHBondContact O-N 3.42Å; L551-M554 HydrophobicContact CD2-CE 3.87Å; L551-M554 HydrophobicContact CG-CE 4.1Å; L551-M554 PolarHBondContact O-N 2.9Å
555	S	87.8	Confident	89.2	Confident	29 Å²	29	73.2 Å²	73.2	20%	0.203	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.7	-175.7	70	0	0	0	0	114.4	L551 M552 L553 L557	L551-S555 WeakPolarHBondContact O-CB 2.92Å; L551-S555 PolarHBondContact O-N 2.98Å; L551-S555 PolarHBondContact O-OG 3.49Å; M552-S555 PolarHBondContact O-N 3.35Å; M552-S555 PolarHBondContact O-OG 3.38Å; L553-S555 PolarHBondContact O-N 2.91Å; S555-L557 PolarHBondContact O-N 2.9Å; S555-L557 WeakPolarHBondContact OG-CD1 3.48Å; S555-L557 VanDerWaalsContact OG-CG 3.26Å; S555-L557 WeakPolarHBondContact OG-CG 3.36Å
556	D	88.4	Confident	89.1	Confident	113 Å²	113	78 Å²	78	60%	0.604	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	26.5	-174.7	-68.8	-37.4	0	0	0	114.5	L553 Q558 M559	L553-D556 PolarHBondContact O-N 3.41Å; D556-Q558 PolarHBondContact O-N 3.19Å; D556-Q558 VanDerWaalsContact O-N 3.08Å; D556-M559 PolarHBondContact O-N 3.09Å
557	L	86.7	Confident	89	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-21.1	-176.1	-72.3	172	0	0	0	113.2	T529 I532 L533 S555 M559 S560 I561 Y572	T529-L557 HydrophobicContact CG2-CD1 4.39Å; T529-L557 HydrophobicContact CG2-CD2 3.55Å; I532-L557 HydrophobicContact CG2-CD1 4.01Å; L533-L557 HydrophobicContact CD2-CD1 3.75Å; L533-L557 HydrophobicContact CG-CD1 4.16Å; S555-L557 PolarHBondContact O-N 2.9Å; S555-L557 WeakPolarHBondContact OG-CD1 3.48Å; S555-L557 VanDerWaalsContact OG-CG 3.26Å; S555-L557 WeakPolarHBondContact OG-CG 3.36Å; L557-M559 PolarHBondContact O-N 3.47Å; L557-S560 PolarHBondContact O-N 3.34Å; L557-I561 VanDerWaalsContact O-CB 3.24Å; L557-I561 WeakPolarHBondContact O-CB 3.41Å; L557-I561 WeakPolarHBondContact O-CG2 3.3Å; L557-I561 PolarHBondContact O-N 3.02Å; L557-Y572 HydrophobicContact CB-CE2 4.39Å
558	Q	85.1	Confident	88.9	Confident	103 Å²	103	69.6 Å²	69.6	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-30.1	176.5	-67.5	173.8	-34.4	0	0	112.9	D556	D556-Q558 PolarHBondContact O-N 3.19Å; D556-Q558 VanDerWaalsContact O-N 3.08Å
559	M	84.9	Confident	88.9	Confident	161 Å²	161	72.4 Å²	72.4	79%	0.793	37%	0.37	S	S	*	.	H	α-helix	trans	-93.9	-22	-178.1	-60.8	-59.9	-63.4	0	0	113.4	D556 L557	D556-M559 PolarHBondContact O-N 3.09Å; L557-M559 PolarHBondContact O-N 3.47Å
560	S	85.4	Confident	88.9	Confident	61 Å²	61	69.2 Å²	69.2	43%	0.427	36%	0.359	S	S	.	.	H	α-helix	trans	-103.5	-21.2	-172.9	60.8	0	0	0	0	113.9	L557 E562 H563	L557-S560 PolarHBondContact O-N 3.34Å; S560-E562 VanDerWaalsContact C-N 3.28Å; S560-E562 PolarHBondContact O-N 3.14Å; S560-H563 PolarHBondContact O-N 2.88Å
561	I	86.8	Confident	88.8	Confident	16 Å²	16	66.8 Å²	66.8	8%	0.082	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-64.7	-25.7	-170	-164.1	65.5	0	0	0	114.3	L557 H563 A564 T568 M569 Y572	L557-I561 VanDerWaalsContact O-CB 3.24Å; L557-I561 WeakPolarHBondContact O-CB 3.41Å; L557-I561 WeakPolarHBondContact O-CG2 3.3Å; L557-I561 PolarHBondContact O-N 3.02Å; I561-H563 PolarHBondContact O-N 3.22Å; I561-A564 HydrophobicContact CD1-CB 3.97Å; I561-A564 VanDerWaalsContact O-CB 3.3Å; I561-A564 WeakPolarHBondContact O-CB 3.4Å; I561-A564 PolarHBondContact O-N 3.47Å; I561-T568 HydrophobicContact CD1-CG2 4.1Å; I561-M569 HydrophobicContact CG1-CG 4.24Å; I561-M569 WeakPolarHBondContact O-CG 3.44Å; I561-Y572 HydrophobicContact CD1-CD2 4.39Å; I561-Y572 HydrophobicContact CD1-CG 4.13Å; I561-Y572 HydrophobicContact CG1-CD1 4.04Å; I561-Y572 HydrophobicContact CG1-CD2 4.15Å; I561-Y572 HydrophobicContact CG1-CG 3.74Å; I561-Y572 HydrophobicContact CG2-CD1 4.4Å; I561-Y572 HydrophobicContact CG2-CE1 4.27Å
562	E	87.2	Confident	88.9	Confident	154 Å²	154	66.4 Å²	66.4	72%	0.72	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-61.5	-27.1	179.9	-64.3	-175.3	170.8	0	0	113.2	S560	S560-E562 VanDerWaalsContact C-N 3.28Å; S560-E562 PolarHBondContact O-N 3.14Å
563	H	85.9	Confident	89	Confident	168 Å²	168	67.5 Å²	67.5	78%	0.778	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-95.9	0.8	179.6	-55.5	89.4	0	0	0	112.8	S560 I561	S560-H563 PolarHBondContact O-N 2.88Å; I561-H563 PolarHBondContact O-N 3.22Å
564	A	87.3	Confident	89.1	Confident	31 Å²	31	63 Å²	63	26%	0.256	33%	0.325	S	S	.	.	S	Bend	trans	-79.5	167	-179.7	0	0	0	0	0	112	I561 T568	I561-A564 HydrophobicContact CD1-CB 3.97Å; I561-A564 VanDerWaalsContact O-CB 3.3Å; I561-A564 WeakPolarHBondContact O-CB 3.4Å; I561-A564 PolarHBondContact O-N 3.47Å; A564-T568 HydrophobicContact CB-CG2 4.4Å
565	D	88.5	Confident	89.2	Confident	46 Å²	46	56.5 Å²	56.5	25%	0.246	29%	0.293	C	S	.	.			trans	-63.9	147.2	173.4	55.4	-42.1	0	0	0	112	R526 S567 T568 M569	R526-D565 IonicContact CZ-OD2 2.76Å; R526-D565 VanDerWaalsContact CZ-OD2 3.24Å; R526-D565 IonicContact NE-OD1 3.11Å; R526-D565 IonicContact NE-OD2 3.87Å; R526-D565 PolarHBondContact NE-OD2 3.09Å; R526-D565 IonicContact NH2-OD2 2.82Å; R526-D565 PolarHBondContact NH2-OD2 3.35Å; D565-S567 PolarHBondContact O-N 3.26Å; D565-S567 VanDerWaalsContact O-N 3.16Å; D565-S567 PolarHBondContact OD2-OG 3Å; D565-T568 WeakPolarHBondContact O-CA 3.32Å; D565-T568 PolarHBondContact O-N 2.97Å; D565-T568 WeakPolarHBondContact OD1-CB 3.18Å; D565-T568 PolarHBondContact OD1-OG1 3.33Å; D565-T568 PolarHBondContact OD2-OG1 3.35Å; D565-M569 PolarHBondContact O-N 3.29Å
566	Q	88.8	Confident	89.4	Confident	110 Å²	110	56.3 Å²	56.3	51%	0.514	29%	0.289	S	S	.	.	H	α-helix	trans	-54.9	-37.6	-176.7	-70.1	175	-18	0	0	113.1	T568 M569 I570 L632	Q566-T568 VanDerWaalsContact C-N 3.34Å; Q566-T568 PolarHBondContact O-N 3.41Å; Q566-M569 HydrophobicContact CB-CE 4.22Å; Q566-M569 HydrophobicContact CG-CE 3.74Å; Q566-M569 PolarHBondContact O-N 3.47Å; Q566-I570 WeakPolarHBondContact O-CD1 3.49Å; Q566-I570 VanDerWaalsContact O-CG1 3.27Å; Q566-I570 WeakPolarHBondContact O-CG1 3.26Å; Q566-I570 PolarHBondContact O-N 3.35Å; Q566-L632 HydrophobicContact CB-CD1 4.16Å
567	S	89.1	Confident	89.7	Confident	43 Å²	43	50.9 Å²	50.9	30%	0.301	26%	0.26	S	S	.	.	H	α-helix	trans	-67.6	-32	177.1	63.3	0	0	0	0	113.1	D565 L571	D565-S567 PolarHBondContact O-N 3.26Å; D565-S567 VanDerWaalsContact O-N 3.16Å; D565-S567 PolarHBondContact OD2-OG 3Å; S567-L571 PolarHBondContact O-N 2.95Å; S567-L571 VanDerWaalsContact O-N 3.14Å
568	T	90.9	Very high	90	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-76.6	-34.9	174.1	-58.4	0	0	0	0	111.2	T529 R530 L533 I561 A564 D565 Q566 L571 Y572	T529-T568 HydrophobicContact CG2-CG2 3.95Å; R530-T568 HydrophobicContact CG-CG2 4.18Å; R530-T568 PolarHBondContact NH1-OG1 2.85Å; L533-T568 HydrophobicContact CD1-CG2 3.87Å; I561-T568 HydrophobicContact CD1-CG2 4.1Å; A564-T568 HydrophobicContact CB-CG2 4.4Å; D565-T568 WeakPolarHBondContact O-CA 3.32Å; D565-T568 PolarHBondContact O-N 2.97Å; D565-T568 WeakPolarHBondContact OD1-CB 3.18Å; D565-T568 PolarHBondContact OD1-OG1 3.33Å; D565-T568 PolarHBondContact OD2-OG1 3.35Å; Q566-T568 VanDerWaalsContact C-N 3.34Å; Q566-T568 PolarHBondContact O-N 3.41Å; T568-L571 PolarHBondContact O-N 3.24Å; T568-Y572 PolarHBondContact O-N 3.42Å
569	M	91.4	Very high	90.4	Very high	59 Å²	59	47.1 Å²	47.1	29%	0.291	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-43.4	170.6	-67.5	-165.5	-76.7	0	0	111.9	I561 D565 Q566 L571 Y572 N573	I561-M569 HydrophobicContact CG1-CG 4.24Å; I561-M569 WeakPolarHBondContact O-CG 3.44Å; D565-M569 PolarHBondContact O-N 3.29Å; Q566-M569 HydrophobicContact CB-CE 4.22Å; Q566-M569 HydrophobicContact CG-CE 3.74Å; Q566-M569 PolarHBondContact O-N 3.47Å; M569-L571 VanDerWaalsContact C-N 3.32Å; M569-L571 PolarHBondContact O-N 2.77Å; M569-Y572 WeakPolarHBondContact O-CB 3.34Å; M569-Y572 PolarHBondContact O-N 2.97Å; M569-N573 PolarHBondContact O-N 2.73Å
570	I	92	Very high	90.8	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.097	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-44.1	174.6	-68.6	159.5	0	0	0	110.4	Q566 Y572 N573 R574 A610 L632 M634	Q566-I570 WeakPolarHBondContact O-CD1 3.49Å; Q566-I570 VanDerWaalsContact O-CG1 3.27Å; Q566-I570 WeakPolarHBondContact O-CG1 3.26Å; Q566-I570 PolarHBondContact O-N 3.35Å; I570-Y572 VanDerWaalsContact C-N 3.34Å; I570-Y572 PolarHBondContact O-N 2.91Å; I570-N573 PolarHBondContact O-N 2.85Å; I570-R574 HydrophobicContact CG2-CG 4.43Å; I570-R574 WeakPolarHBondContact O-CB 3.43Å; I570-R574 WeakPolarHBondContact O-CD 3.45Å; I570-R574 WeakPolarHBondContact O-CG 3.25Å; I570-R574 PolarHBondContact O-N 3.42Å; I570-A610 HydrophobicContact CD1-CB 3.66Å; I570-A610 HydrophobicContact CG1-CB 4.03Å; I570-A610 HydrophobicContact CG2-CB 3.82Å; I570-L632 HydrophobicContact CD1-CB 4.21Å; I570-M634 HydrophobicContact CG2-CG 4.27Å; I570-M634 HydrophobicContact CG2-SD 4.4Å
571	L	92.8	Very high	91.2	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-39.7	176.8	-177.1	61.7	0	0	0	112.1	Y483 R530 L533 S567 T568 M569 R574 A575	Y483-L571 HydrophobicContact CE2-CD1 4.02Å; R530-L571 HydrophobicContact CB-CD2 4.47Å; L533-L571 HydrophobicContact CB-CD2 3.81Å; L533-L571 HydrophobicContact CB-CG 3.86Å; L533-L571 HydrophobicContact CD1-CB 4.33Å; L533-L571 HydrophobicContact CD1-CD2 4.17Å; L533-L571 HydrophobicContact CD1-CG 4.13Å; S567-L571 PolarHBondContact O-N 2.95Å; S567-L571 VanDerWaalsContact O-N 3.14Å; T568-L571 PolarHBondContact O-N 3.24Å; M569-L571 VanDerWaalsContact C-N 3.32Å; M569-L571 PolarHBondContact O-N 2.77Å; L571-R574 PolarHBondContact O-N 3.05Å; L571-A575 WeakPolarHBondContact O-CB 3.29Å; L571-A575 PolarHBondContact O-N 3.45Å
572	Y	94.4	Very high	91.4	Very high	28 Å²	28	36.1 Å²	36.1	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-49.4	174.4	171.6	-94.5	0	0	0	111.7	L533 M552 L557 I561 T568 M569 I570 R574 A575 M576	L533-Y572 HydrophobicContact CD2-CD2 3.91Å; M552-Y572 HydrophobicContact CE-CE2 4.31Å; M552-Y572 HydrophobicContact SD-CE2 4.07Å; L557-Y572 HydrophobicContact CB-CE2 4.39Å; I561-Y572 HydrophobicContact CD1-CD2 4.39Å; I561-Y572 HydrophobicContact CD1-CG 4.13Å; I561-Y572 HydrophobicContact CG1-CD1 4.04Å; I561-Y572 HydrophobicContact CG1-CD2 4.15Å; I561-Y572 HydrophobicContact CG1-CG 3.74Å; I561-Y572 HydrophobicContact CG2-CD1 4.4Å; I561-Y572 HydrophobicContact CG2-CE1 4.27Å; T568-Y572 PolarHBondContact O-N 3.42Å; M569-Y572 WeakPolarHBondContact O-CB 3.34Å; M569-Y572 PolarHBondContact O-N 2.97Å; I570-Y572 VanDerWaalsContact C-N 3.34Å; I570-Y572 PolarHBondContact O-N 2.91Å; Y572-R574 VanDerWaalsContact C-N 3.28Å; Y572-R574 PolarHBondContact O-N 3.11Å; Y572-A575 PolarHBondContact O-N 2.62Å; Y572-A575 VanDerWaalsContact O-N 3.17Å; Y572-M576 HydrophobicContact CE1-CE 4.28Å; Y572-M576 HydrophobicContact CE2-CE 4.03Å; Y572-M576 WeakPolarHBondContact O-CB 3.44Å; Y572-M576 PolarHBondContact O-N 3.13Å; Y572-M576 WeakPolarHBondContact OH-CE 3.4Å
573	N	93.4	Very high	91.7	Very high	29 Å²	29	28.8 Å²	28.8	16%	0.155	15%	0.148	C	C	.	.	H	α-helix	trans	-58.8	-42.4	177.5	-68.4	-17.6	0	0	0	111.3	M569 I570 M576 V577 M599 L608 L609	M569-N573 PolarHBondContact O-N 2.73Å; I570-N573 PolarHBondContact O-N 2.85Å; N573-M576 PolarHBondContact O-N 2.91Å; N573-V577 WeakPolarHBondContact O-CG2 3.34Å; N573-V577 PolarHBondContact O-N 3.32Å; N573-M599 HydrophobicContact CB-CE 4.16Å; N573-M599 HydrophobicContact CB-SD 4.32Å; N573-L608 PolarHBondContact ND2-O 2.84Å; N573-L609 HydrophobicContact CB-CD2 4.1Å
574	R	93.2	Very high	92	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-42.8	176.5	-69.8	168	61.5	80.8	14.7	112.1	Y537 I570 L571 Y572 M576 V577 Q578 L609 M638	Y537-R574 HydrophobicContact CE2-CB 4.28Å; I570-R574 HydrophobicContact CG2-CG 4.43Å; I570-R574 WeakPolarHBondContact O-CB 3.43Å; I570-R574 WeakPolarHBondContact O-CD 3.45Å; I570-R574 WeakPolarHBondContact O-CG 3.25Å; I570-R574 PolarHBondContact O-N 3.42Å; L571-R574 PolarHBondContact O-N 3.05Å; Y572-R574 VanDerWaalsContact C-N 3.28Å; Y572-R574 PolarHBondContact O-N 3.11Å; R574-M576 VanDerWaalsContact C-N 3.34Å; R574-V577 PolarHBondContact O-N 2.91Å; R574-Q578 WeakPolarHBondContact O-CB 3.49Å; R574-Q578 PolarHBondContact O-N 3.24Å; R574-L609 HydrophobicContact CG-CD2 3.83Å; R574-M638 PolarHBondContact NH1-O 3.2Å; R574-M638 PolarHBondContact NH2-O 3.32Å
575	A	93.2	Very high	92.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.4	-38.1	175	0	0	0	0	0	112	L533 Y537 L571 Y572 Q578 L579	L533-A575 HydrophobicContact CD2-CB 4.39Å; Y537-A575 HydrophobicContact CD2-CB 4.47Å; L571-A575 WeakPolarHBondContact O-CB 3.29Å; L571-A575 PolarHBondContact O-N 3.45Å; Y572-A575 PolarHBondContact O-N 2.62Å; Y572-A575 VanDerWaalsContact O-N 3.17Å; A575-Q578 PolarHBondContact O-N 3.48Å; A575-L579 WeakPolarHBondContact O-CB 3.47Å; A575-L579 PolarHBondContact O-N 3.25Å
576	M	93.2	Very high	92.2	Very high	24 Å²	24	20.9 Å²	20.9	12%	0.118	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-46.3	176.5	-169.4	60.6	72.5	0	0	111.8	M552 Y572 N573 R574 Q578 L579 G580 A595	M552-M576 HydrophobicContact CE-CE 4.02Å; M552-M576 HydrophobicContact SD-CE 4.41Å; Y572-M576 HydrophobicContact CE1-CE 4.28Å; Y572-M576 HydrophobicContact CE2-CE 4.03Å; Y572-M576 WeakPolarHBondContact O-CB 3.44Å; Y572-M576 PolarHBondContact O-N 3.13Å; Y572-M576 WeakPolarHBondContact OH-CE 3.4Å; N573-M576 PolarHBondContact O-N 2.91Å; R574-M576 VanDerWaalsContact C-N 3.34Å; M576-Q578 VanDerWaalsContact C-N 3.31Å; M576-Q578 PolarHBondContact O-N 3.26Å; M576-L579 PolarHBondContact O-N 3.09Å; M576-G580 PolarHBondContact O-N 3.2Å; M576-A595 HydrophobicContact SD-CB 4.32Å
577	V	93.9	Very high	92.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59	-44.7	174	167.9	0	0	0	0	110.8	N573 R574 L579 G580 L581 L596 M599 L609 I640 I645	N573-V577 WeakPolarHBondContact O-CG2 3.34Å; N573-V577 PolarHBondContact O-N 3.32Å; R574-V577 PolarHBondContact O-N 2.91Å; V577-L579 VanDerWaalsContact C-N 3.34Å; V577-L579 PolarHBondContact O-N 2.91Å; V577-G580 PolarHBondContact O-N 2.88Å; V577-G580 VanDerWaalsContact O-N 3.17Å; V577-L581 HydrophobicContact CG1-CD1 4.35Å; V577-L581 WeakPolarHBondContact O-CG 3.43Å; V577-L581 PolarHBondContact O-N 3.16Å; V577-L596 HydrophobicContact CB-CD2 4.38Å; V577-L596 HydrophobicContact CG1-CD2 4.34Å; V577-L596 HydrophobicContact CG2-CD2 4.18Å; V577-M599 HydrophobicContact CG2-CG 4.29Å; V577-L609 HydrophobicContact CG2-CD1 4.37Å; V577-L609 HydrophobicContact CG2-CD2 3.95Å; V577-I640 HydrophobicContact CG1-CD1 4.1Å; V577-I640 HydrophobicContact CG1-CG2 4.3Å; V577-I645 HydrophobicContact CG1-CD1 3.52Å; V577-I645 HydrophobicContact CG1-CG1 3.7Å; V577-I645 HydrophobicContact CG1-CG2 4.3Å
578	Q	93.6	Very high	92.3	Very high	13 Å²	13	18.2 Å²	18.2	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-65.7	-36.5	179.1	-168.3	62.3	10.6	0	0	112.5	Y537 A540 L541 R574 A575 M576 L581 C582	Y537-Q578 HydrophobicContact CD1-CG 4.3Å; Y537-Q578 HydrophobicContact CD2-CB 3.89Å; Y537-Q578 HydrophobicContact CD2-CG 4.16Å; Y537-Q578 HydrophobicContact CE1-CG 4.23Å; Y537-Q578 HydrophobicContact CE2-CB 3.84Å; Y537-Q578 HydrophobicContact CE2-CG 4.08Å; Y537-Q578 HydrophobicContact CG-CB 4.43Å; Y537-Q578 HydrophobicContact CG-CG 4.27Å; A540-Q578 HydrophobicContact CB-CB 4.42Å; A540-Q578 HydrophobicContact CB-CG 3.84Å; L541-Q578 VanDerWaalsContact CD1-NE2 3.29Å; R574-Q578 WeakPolarHBondContact O-CB 3.49Å; R574-Q578 PolarHBondContact O-N 3.24Å; A575-Q578 PolarHBondContact O-N 3.48Å; M576-Q578 VanDerWaalsContact C-N 3.31Å; M576-Q578 PolarHBondContact O-N 3.26Å; Q578-L581 PolarHBondContact O-N 2.87Å; Q578-C582 WeakPolarHBondContact O-CB 3.45Å; Q578-C582 PolarHBondContact O-N 3.21Å
579	L	93.4	Very high	92.3	Very high	16 Å²	16	19 Å²	19	8%	0.084	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-41.9	172.3	-169.3	155.1	0	0	0	110.8	I536 M552 A575 M576 V577 C582 A583	I536-L579 HydrophobicContact CG2-CD1 4.19Å; M552-L579 HydrophobicContact CB-CD1 4.06Å; M552-L579 HydrophobicContact CE-CD1 4.36Å; M552-L579 HydrophobicContact CG-CD1 4.34Å; A575-L579 WeakPolarHBondContact O-CB 3.47Å; A575-L579 PolarHBondContact O-N 3.25Å; M576-L579 PolarHBondContact O-N 3.09Å; V577-L579 VanDerWaalsContact C-N 3.34Å; V577-L579 PolarHBondContact O-N 2.91Å; L579-C582 WeakPolarHBondContact O-CB 3.43Å; L579-C582 PolarHBondContact O-N 2.87Å; L579-A583 WeakPolarHBondContact O-CB 3.49Å; L579-A583 PolarHBondContact O-N 3.32Å
580	G	93.3	Very high	92.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-44.4	172.6	0	0	0	0	0	113	M576 V577 C582 A583 F584	M576-G580 PolarHBondContact O-N 3.2Å; V577-G580 PolarHBondContact O-N 2.88Å; V577-G580 VanDerWaalsContact O-N 3.17Å; G580-C582 PolarHBondContact O-N 3.2Å; G580-A583 PolarHBondContact O-N 2.95Å; G580-F584 PolarHBondContact O-N 3.44Å
581	L	92.5	Very high	92.4	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-36.2	174.3	-67.4	177.1	0	0	0	112.4	V577 Q578 F584 R585 I640 L644 V648	V577-L581 HydrophobicContact CG1-CD1 4.35Å; V577-L581 WeakPolarHBondContact O-CG 3.43Å; V577-L581 PolarHBondContact O-N 3.16Å; Q578-L581 PolarHBondContact O-N 2.87Å; L581-F584 PolarHBondContact O-N 3.38Å; L581-R585 WeakPolarHBondContact O-CG 3.45Å; L581-R585 PolarHBondContact O-N 3.13Å; L581-R585 VanDerWaalsContact O-N 3.07Å; L581-R585 PolarHBondContact O-NE 3.06Å; L581-I640 HydrophobicContact CD1-CG2 3.93Å; L581-L644 HydrophobicContact CD2-CG 4.42Å; L581-V648 HydrophobicContact CD2-CB 4.18Å; L581-V648 HydrophobicContact CD2-CG1 4.15Å; L581-V648 HydrophobicContact CD2-CG2 3.9Å
582	C	92.1	Very high	92.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.8	-42.9	172.9	-173.7	0	0	0	0	112	A540 Q578 L579 G580 F584 R585 Q586	A540-C582 HydrophobicContact CB-CB 3.91Å; A540-C582 WeakPolarHBondContact O-CB 3.36Å; A540-C582 PolarHBondContact O-SG 2.69Å; A540-C582 VanDerWaalsContact O-SG 3.34Å; Q578-C582 WeakPolarHBondContact O-CB 3.45Å; Q578-C582 PolarHBondContact O-N 3.21Å; L579-C582 WeakPolarHBondContact O-CB 3.43Å; L579-C582 PolarHBondContact O-N 2.87Å; G580-C582 PolarHBondContact O-N 3.2Å; C582-F584 VanDerWaalsContact C-N 3.29Å; C582-F584 PolarHBondContact O-N 3.12Å; C582-R585 PolarHBondContact O-N 2.98Å; C582-Q586 PolarHBondContact O-N 3.33Å; C582-Q586 VanDerWaalsContact O-N 3.09Å
583	A	93.2	Very high	92.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-41.7	176	0	0	0	0	0	110.9	L579 G580 Q586 S587 H588 D591 A592	L579-A583 WeakPolarHBondContact O-CB 3.49Å; L579-A583 PolarHBondContact O-N 3.32Å; G580-A583 PolarHBondContact O-N 2.95Å; A583-Q586 PolarHBondContact O-N 3.45Å; A583-S587 PolarHBondContact O-N 3.5Å; A583-H588 HydrophobicContact CB-CB 4.33Å; A583-H588 PolarHBondContact O-N 3.28Å; A583-D591 HydrophobicContact CB-CB 4.37Å; A583-A592 HydrophobicContact CB-CB 3.92Å
584	F	92.7	Very high	92.3	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.048	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-45.5	176.2	-174.3	-97.3	0	0	0	112.5	G580 L581 C582 Q586 S587 A592 V648 V651 S652 W729 V738 L742	G580-F584 PolarHBondContact O-N 3.44Å; L581-F584 PolarHBondContact O-N 3.38Å; C582-F584 VanDerWaalsContact C-N 3.29Å; C582-F584 PolarHBondContact O-N 3.12Å; F584-Q586 VanDerWaalsContact C-N 3.3Å; F584-Q586 PolarHBondContact O-N 3.21Å; F584-S587 PolarHBondContact O-N 3.05Å; F584-A592 HydrophobicContact CB-CB 3.98Å; F584-V648 HydrophobicContact CB-CG1 3.74Å; F584-V648 HydrophobicContact CD1-CG1 4.03Å; F584-V648 HydrophobicContact CD1-CG2 4.09Å; F584-V648 HydrophobicContact CD2-CG1 3.62Å; F584-V648 HydrophobicContact CE1-CG2 4.23Å; F584-V648 HydrophobicContact CE2-CG1 4.21Å; F584-V648 HydrophobicContact CG-CG1 3.5Å; F584-V648 HydrophobicContact CG-CG2 4.41Å; F584-V651 HydrophobicContact CE2-CG1 4.13Å; F584-V651 HydrophobicContact CZ-CG1 4.19Å; F584-S652 WeakPolarHBondContact CD2-OG 3.33Å; F584-W729 HydrophobicContact CE1-CH2 4.09Å; F584-W729 AromaticContact CE1-CZ3 3.7Å; F584-W729 HydrophobicContact CE1-CZ3 3.7Å; F584-W729 AromaticContact CZ-CH2 3.99Å; F584-W729 HydrophobicContact CZ-CH2 3.99Å; F584-W729 HydrophobicContact CZ-CZ3 4.1Å; F584-V738 HydrophobicContact CD1-CG1 4.33Å; F584-V738 HydrophobicContact CE1-CG1 3.8Å; F584-L742 HydrophobicContact CZ-CD1 4.33Å
585	R	89.9	Confident	92.1	Very high	11 Å²	11	29.6 Å²	29.6	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-36.7	177.4	-74.8	-179.9	-72	161.8	3.7	113.1	A540 L541 N543 L581 C582 S587 V738	A540-R585 PolarHBondContact O-NH2 2.88Å; L541-R585 PolarHBondContact O-NH1 3.06Å; N543-R585 WeakPolarHBondContact OD1-CD 2.75Å; N543-R585 PolarHBondContact OD1-NE 2.85Å; N543-R585 PolarHBondContact OD1-NH1 2.74Å; L581-R585 WeakPolarHBondContact O-CG 3.45Å; L581-R585 PolarHBondContact O-N 3.13Å; L581-R585 VanDerWaalsContact O-N 3.07Å; L581-R585 PolarHBondContact O-NE 3.06Å; C582-R585 PolarHBondContact O-N 2.98Å; R585-S587 PolarHBondContact O-N 2.94Å; R585-V738 HydrophobicContact CB-CG2 4.3Å; R585-V738 HydrophobicContact CG-CG2 3.88Å
586	Q	88.9	Confident	92.1	Very high	58 Å²	58	29.6 Å²	29.6	27%	0.271	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	9.4	175.7	-66.4	-67.3	2.7	0	0	113.9	N543 W545 C582 A583 F584 H588	N543-Q586 PolarHBondContact O-NE2 3.32Å; W545-Q586 HydrophobicContact CB-CG 4.01Å; C582-Q586 PolarHBondContact O-N 3.33Å; C582-Q586 VanDerWaalsContact O-N 3.09Å; A583-Q586 PolarHBondContact O-N 3.45Å; F584-Q586 VanDerWaalsContact C-N 3.3Å; F584-Q586 PolarHBondContact O-N 3.21Å; Q586-H588 VanDerWaalsContact C-N 3.26Å; Q586-H588 PolarHBondContact O-N 2.87Å
587	S	88.2	Confident	91.9	Very high	33 Å²	33	29.6 Å²	29.6	23%	0.231	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	17.3	179.9	-47.1	0	0	0	0	115.8	A583 F584 R585 I589 N741	A583-S587 PolarHBondContact O-N 3.5Å; F584-S587 PolarHBondContact O-N 3.05Å; R585-S587 PolarHBondContact O-N 2.94Å; S587-I589 VanDerWaalsContact C-N 3.3Å; S587-I589 PolarHBondContact O-N 3.19Å; S587-I589 VanDerWaalsContact O-N 3.11Å; S587-N741 VanDerWaalsContact OG-CB 3.28Å; S587-N741 WeakPolarHBondContact OG-CB 3.11Å; S587-N741 VanDerWaalsContact OG-CG 3.25Å; S587-N741 PolarHBondContact OG-ND2 3.39Å; S587-N741 VanDerWaalsContact OG-ND2 3.14Å
588	H	91.6	Very high	91.5	Very high	63 Å²	63	36.2 Å²	36.2	29%	0.292	18%	0.182	S	C	.	.			trans	-84.9	72.5	171.3	-65.6	-64	0	0	0	110.2	W545 A583 Q586 R590 D591 A592	W545-H588 AromaticContact CD2-CD2 3.8Å; W545-H588 AromaticContact CE3-CD2 3.58Å; W545-H588 AromaticContact CE3-NE2 3.62Å; W545-H588 AromaticContact CH2-CD2 4Å; W545-H588 HydrophobicContact CZ2-CB 4.44Å; W545-H588 AromaticContact CZ3-CD2 3.67Å; W545-H588 AromaticContact CZ3-CE1 3.99Å; W545-H588 AromaticContact CZ3-NE2 3.53Å; A583-H588 HydrophobicContact CB-CB 4.33Å; A583-H588 PolarHBondContact O-N 3.28Å; Q586-H588 VanDerWaalsContact C-N 3.26Å; Q586-H588 PolarHBondContact O-N 2.87Å; H588-R590 PolarHBondContact O-N 2.98Å; H588-D591 HydrophobicContact CB-CB 4.33Å; H588-D591 PolarHBondContact O-N 3.45Å; H588-A592 WeakPolarHBondContact O-CB 3.43Å; H588-A592 PolarHBondContact O-N 3.17Å
589	I	91.9	Very high	91.1	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.097	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-39.5	-171.9	-60.8	156.7	0	0	0	112.5	S587 A592 H593 L655 L656 K745	S587-I589 VanDerWaalsContact C-N 3.3Å; S587-I589 PolarHBondContact O-N 3.19Å; S587-I589 VanDerWaalsContact O-N 3.11Å; I589-A592 PolarHBondContact O-N 3.45Å; I589-H593 WeakPolarHBondContact O-CB 3.49Å; I589-H593 PolarHBondContact O-N 2.93Å; I589-L655 HydrophobicContact CD1-CD1 3.59Å; I589-L655 HydrophobicContact CG1-CD1 4.28Å; I589-L655 HydrophobicContact CG2-CB 4.33Å; I589-L655 HydrophobicContact CG2-CD1 4.36Å; I589-L656 HydrophobicContact CG2-CG 4.33Å; I589-K745 HydrophobicContact CD1-CB 3.96Å; I589-K745 HydrophobicContact CD1-CD 3.73Å; I589-K745 HydrophobicContact CD1-CG 3.72Å
590	R	92.2	Very high	90.7	Very high	177 Å²	177	36.2 Å²	36.2	67%	0.668	18%	0.182	S	C	*	.	H	α-helix	trans	-62.7	-46.3	179	-69.8	-178.6	-176.3	-169.9	-1	111.7	H588 H593 N594 L656	H588-R590 PolarHBondContact O-N 2.98Å; R590-H593 PolarHBondContact O-N 3.17Å; R590-N594 VanDerWaalsContact O-CG 3.23Å; R590-N594 PolarHBondContact O-N 3.38Å; R590-N594 PolarHBondContact O-ND2 2.85Å; R590-L656 HydrophobicContact CG-CD1 4.31Å; R590-L656 HydrophobicContact CG-CD2 3.62Å
591	D	92.6	Very high	90.1	Very high	68 Å²	68	38.3 Å²	38.3	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-69.8	-36.8	-180	-59.1	-35	0	0	0	111.2	W545 A583 H588 N594 A595	W545-D591 HydrophobicContact CZ2-CB 4.2Å; W545-D591 WeakPolarHBondContact CZ2-OD2 3.48Å; A583-D591 HydrophobicContact CB-CB 4.37Å; H588-D591 HydrophobicContact CB-CB 4.33Å; H588-D591 PolarHBondContact O-N 3.45Å; D591-N594 PolarHBondContact O-N 3.19Å; D591-A595 WeakPolarHBondContact O-CB 3.3Å; D591-A595 PolarHBondContact O-N 3.28Å
592	A	92.8	Very high	89.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-43.5	172.7	0	0	0	0	0	112.1	A583 F584 H588 I589 L596	A583-A592 HydrophobicContact CB-CB 3.92Å; F584-A592 HydrophobicContact CB-CB 3.98Å; H588-A592 WeakPolarHBondContact O-CB 3.43Å; H588-A592 PolarHBondContact O-N 3.17Å; I589-A592 PolarHBondContact O-N 3.45Å; A592-L596 WeakPolarHBondContact O-CG 3.19Å; A592-L596 PolarHBondContact O-N 3.36Å
593	H	93.1	Very high	88.7	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-49	176.1	-177.7	68.9	0	0	0	111.5	I589 R590 A595 L596 A597 Y649 L656	I589-H593 WeakPolarHBondContact O-CB 3.49Å; I589-H593 PolarHBondContact O-N 2.93Å; R590-H593 PolarHBondContact O-N 3.17Å; H593-A595 PolarHBondContact O-N 3.45Å; H593-L596 PolarHBondContact O-N 3.09Å; H593-A597 WeakPolarHBondContact O-CB 3.42Å; H593-A597 PolarHBondContact O-N 3.35Å; H593-Y649 AromaticContact CE1-CE2 3.37Å; H593-Y649 WeakPolarHBondContact CE1-CE2 3.24Å; H593-Y649 AromaticContact CE1-CZ 3.83Å; H593-Y649 AromaticContact ND1-CD2 3.84Å; H593-Y649 AromaticContact ND1-CE2 3.51Å; H593-L656 HydrophobicContact CB-CD1 3.74Å
594	N	92.3	Very high	88.2	Confident	101 Å²	101	52.6 Å²	52.6	54%	0.54	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-41.9	-178.1	-67.7	-15.1	0	0	0	112.2	R590 D591 L596	R590-N594 VanDerWaalsContact O-CG 3.23Å; R590-N594 PolarHBondContact O-N 3.38Å; R590-N594 PolarHBondContact O-ND2 2.85Å; D591-N594 PolarHBondContact O-N 3.19Å; N594-L596 VanDerWaalsContact C-N 3.29Å; N594-L596 PolarHBondContact O-N 2.96Å
595	A	90.4	Very high	87.8	Confident	17 Å²	17	53 Å²	53	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-30.4	178.8	0	0	0	0	0	113.3	M576 D591 H593	M576-A595 HydrophobicContact SD-CB 4.32Å; D591-A595 WeakPolarHBondContact O-CB 3.3Å; D591-A595 PolarHBondContact O-N 3.28Å; H593-A595 PolarHBondContact O-N 3.45Å
596	L	92	Very high	87.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-97.1	-13.3	-177.2	-63.5	178.1	0	0	0	113.8	V577 A592 H593 N594 D598 M599 I600 I645 V648 Y649	V577-L596 HydrophobicContact CB-CD2 4.38Å; V577-L596 HydrophobicContact CG1-CD2 4.34Å; V577-L596 HydrophobicContact CG2-CD2 4.18Å; A592-L596 WeakPolarHBondContact O-CG 3.19Å; A592-L596 PolarHBondContact O-N 3.36Å; H593-L596 PolarHBondContact O-N 3.09Å; N594-L596 VanDerWaalsContact C-N 3.29Å; N594-L596 PolarHBondContact O-N 2.96Å; L596-D598 PolarHBondContact O-N 2.83Å; L596-M599 PolarHBondContact O-N 3.17Å; L596-I600 HydrophobicContact CB-CD1 4.3Å; L596-I600 PolarHBondContact O-N 3.05Å; L596-I645 HydrophobicContact CD1-CG2 4.45Å; L596-I645 HydrophobicContact CD2-CG2 3.97Å; L596-V648 HydrophobicContact CD1-CG1 3.93Å; L596-Y649 HydrophobicContact CB-CD2 3.97Å
597	A	89.3	Confident	87.4	Confident	23 Å²	23	57.7 Å²	57.7	19%	0.19	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-45.9	-173.8	0	0	0	0	0	113.3	H593 G601 Y649	H593-A597 WeakPolarHBondContact O-CB 3.42Å; H593-A597 PolarHBondContact O-N 3.35Å; A597-G601 PolarHBondContact O-N 3.45Å; A597-Y649 HydrophobicContact CB-CE2 4.17Å
598	D	86.6	Confident	87.3	Confident	139 Å²	139	58.9 Å²	58.9	74%	0.743	30%	0.296	S	S	*	.	H	α-helix	trans	-71.4	-36.9	-176.9	-62.7	-25.6	0	0	0	111.7	L596	L596-D598 PolarHBondContact O-N 2.83Å
599	M	84.3	Confident	87.2	Confident	14 Å²	14	55.9 Å²	55.9	7%	0.069	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-48.5	179.2	-68.5	-59.7	-53.3	0	0	112.1	N573 V577 L596 S602 I605 L608 L609	N573-M599 HydrophobicContact CB-CE 4.16Å; N573-M599 HydrophobicContact CB-SD 4.32Å; V577-M599 HydrophobicContact CG2-CG 4.29Å; L596-M599 PolarHBondContact O-N 3.17Å; M599-S602 PolarHBondContact O-OG 3.37Å; M599-I605 HydrophobicContact CB-CD1 4.45Å; M599-I605 HydrophobicContact CE-CG1 4.41Å; M599-L608 HydrophobicContact CE-CB 3.53Å; M599-L608 HydrophobicContact CE-CD1 3.74Å; M599-L608 HydrophobicContact CE-CG 4.29Å; M599-L608 HydrophobicContact SD-CD1 4.25Å; M599-L609 HydrophobicContact CE-CD2 4.24Å; M599-L609 HydrophobicContact CE-CG 4.34Å
600	I	84.9	Confident	86.8	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-80.6	-34.4	-176.6	-66.3	165.7	0	0	0	111.3	L596 S602 N603 I605 I645 Y649	L596-I600 HydrophobicContact CB-CD1 4.3Å; L596-I600 PolarHBondContact O-N 3.05Å; I600-S602 PolarHBondContact O-N 3.33Å; I600-S602 VanDerWaalsContact O-N 3.12Å; I600-N603 PolarHBondContact O-N 3.01Å; I600-I605 HydrophobicContact CG1-CD1 3.76Å; I600-I645 HydrophobicContact CD1-CG2 4.1Å; I600-Y649 HydrophobicContact CB-CD1 4.29Å; I600-Y649 HydrophobicContact CB-CE1 4.39Å; I600-Y649 HydrophobicContact CB-CG 4.48Å; I600-Y649 HydrophobicContact CD1-CD1 3.61Å; I600-Y649 HydrophobicContact CD1-CD2 3.85Å; I600-Y649 HydrophobicContact CD1-CE1 4.47Å; I600-Y649 HydrophobicContact CD1-CG 3.23Å; I600-Y649 HydrophobicContact CG1-CG 4.44Å; I600-Y649 HydrophobicContact CG2-CD1 3.88Å; I600-Y649 HydrophobicContact CG2-CE1 3.9Å
601	G	80.4	Confident	86.4	Confident	44 Å²	44	47.9 Å²	47.9	45%	0.454	25%	0.253	S	S	.	.	H	α-helix	trans	-57.4	-27.4	177.9	0	0	0	0	0	113.8	A597	A597-G601 PolarHBondContact O-N 3.45Å
602	S	78.3	Confident	85.5	Confident	47 Å²	47	45.6 Å²	45.6	33%	0.329	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.3	177.5	75.7	0	0	0	0	114.9	M599 I600 R604 L608	M599-S602 PolarHBondContact O-OG 3.37Å; I600-S602 PolarHBondContact O-N 3.33Å; I600-S602 VanDerWaalsContact O-N 3.12Å; S602-R604 PolarHBondContact O-N 3.45Å; S602-R604 PolarHBondContact OG-N 2.76Å; S602-R604 VanDerWaalsContact OG-N 3.13Å; S602-L608 WeakPolarHBondContact OG-CD1 3.39Å
603	N	77	Confident	84.2	Confident	109 Å²	109	48 Å²	48	58%	0.583	26%	0.258	S	S	*	.	S	Bend	trans	54.5	4.9	-165.7	-69.5	-32.1	0	0	0	115.8	I600 H614	I600-N603 PolarHBondContact O-N 3.01Å; N603-H614 PolarHBondContact O-CE1 2.85Å
604	R	82.7	Confident	82.7	Confident	151 Å²	151	50.5 Å²	50.5	57%	0.57	27%	0.27	S	S	*	.			trans	-101.8	23.5	-179.2	-62.4	179.8	-167.8	-174.8	0.4	112.7	S602 R606 E607 L608	S602-R604 PolarHBondContact O-N 3.45Å; S602-R604 PolarHBondContact OG-N 2.76Å; S602-R604 VanDerWaalsContact OG-N 3.13Å; R604-R606 PolarHBondContact O-N 2.84Å; R604-R606 VanDerWaalsContact O-N 3.11Å; R604-E607 PolarHBondContact O-N 3.14Å; R604-L608 HydrophobicContact CB-CG 4.41Å; R604-L608 WeakPolarHBondContact O-CG 3.4Å; R604-L608 PolarHBondContact O-N 3.06Å
605	I	85.1	Confident	80.9	Confident	18 Å²	18	52.1 Å²	52.1	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-33	-172.8	-165.3	163.4	0	0	0	113.5	M599 I600 L609 I642 I645	M599-I605 HydrophobicContact CB-CD1 4.45Å; M599-I605 HydrophobicContact CE-CG1 4.41Å; I600-I605 HydrophobicContact CG1-CD1 3.76Å; I605-L609 HydrophobicContact CD1-CD1 4.45Å; I605-L609 HydrophobicContact CG1-CD1 3.84Å; I605-L609 HydrophobicContact CG1-CG 4.32Å; I605-L609 WeakPolarHBondContact O-CB 3.23Å; I605-L609 WeakPolarHBondContact O-CG 3.41Å; I605-L609 PolarHBondContact O-N 2.87Å; I605-L609 VanDerWaalsContact O-N 3.14Å; I605-I642 HydrophobicContact CG2-CG2 3.76Å; I605-I645 HydrophobicContact CD1-CB 4.44Å; I605-I645 HydrophobicContact CD1-CD1 4.45Å; I605-I645 HydrophobicContact CD1-CG2 3.8Å
606	R	85	Confident	79.2	Confident	122 Å²	122	56.7 Å²	56.7	46%	0.46	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-41.5	177.4	-58.2	-159	177.9	-161.6	-4.7	112.2	R604 A610 Q611 G612 I642	R604-R606 PolarHBondContact O-N 2.84Å; R604-R606 VanDerWaalsContact O-N 3.11Å; R606-A610 PolarHBondContact O-N 3.29Å; R606-Q611 PolarHBondContact O-N 3.42Å; R606-G612 CarbonylContact C-O 3.56Å; R606-I642 HydrophobicContact CG-CD1 3.62Å; R606-I642 HydrophobicContact CG-CG1 4.46Å
607	E	84.4	Confident	77.3	Confident	46 Å²	46	61.8 Å²	61.8	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-73.8	-45.2	178.3	-66.6	178.1	155.4	0	0	111	R604 L609 A610 H614 K621	R604-E607 PolarHBondContact O-N 3.14Å; E607-L609 PolarHBondContact O-N 3.43Å; E607-A610 WeakPolarHBondContact O-CA 3.46Å; E607-A610 PolarHBondContact O-N 2.86Å; E607-H614 HydrophobicContact CG-CB 3.72Å; E607-H614 WeakPolarHBondContact OE1-CB 3.33Å; E607-H614 PolarHBondContact OE1-N 3.48Å; E607-K621 IonicContact OE1-NZ 3.67Å; E607-K621 PolarHBondContact OE1-NZ 2.9Å; E607-K621 IonicContact OE2-NZ 3.74Å
608	L	86.9	Confident	75.7	Confident	59 Å²	59	71.2 Å²	71.2	31%	0.309	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-26.6	-178.3	-66.9	174.2	0	0	0	113.3	N573 M599 S602 R604	N573-L608 PolarHBondContact ND2-O 2.84Å; M599-L608 HydrophobicContact CE-CB 3.53Å; M599-L608 HydrophobicContact CE-CD1 3.74Å; M599-L608 HydrophobicContact CE-CG 4.29Å; M599-L608 HydrophobicContact SD-CD1 4.25Å; S602-L608 WeakPolarHBondContact OG-CD1 3.39Å; R604-L608 HydrophobicContact CB-CG 4.41Å; R604-L608 WeakPolarHBondContact O-CG 3.4Å; R604-L608 PolarHBondContact O-N 3.06Å
609	L	88	Confident	74.5	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.3	173.7	-62.8	177.8	0	0	0	113.4	N573 R574 V577 M599 I605 E607 Q611 I645	N573-L609 HydrophobicContact CB-CD2 4.1Å; R574-L609 HydrophobicContact CG-CD2 3.83Å; V577-L609 HydrophobicContact CG2-CD1 4.37Å; V577-L609 HydrophobicContact CG2-CD2 3.95Å; M599-L609 HydrophobicContact CE-CD2 4.24Å; M599-L609 HydrophobicContact CE-CG 4.34Å; I605-L609 HydrophobicContact CD1-CD1 4.45Å; I605-L609 HydrophobicContact CG1-CD1 3.84Å; I605-L609 HydrophobicContact CG1-CG 4.32Å; I605-L609 WeakPolarHBondContact O-CB 3.23Å; I605-L609 WeakPolarHBondContact O-CG 3.41Å; I605-L609 PolarHBondContact O-N 2.87Å; I605-L609 VanDerWaalsContact O-N 3.14Å; E607-L609 PolarHBondContact O-N 3.43Å; L609-Q611 VanDerWaalsContact C-N 3.3Å; L609-Q611 HydrophobicContact CB-CG 3.93Å; L609-Q611 PolarHBondContact O-N 3.39Å; L609-I645 HydrophobicContact CD1-CD1 3.76Å
610	A	84	Confident	73.2	Confident	8 Å²	8	82.1 Å²	82.1	7%	0.066	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	45.1	-176.8	0	0	0	0	0	113.4	I570 R606 E607 L632 Q633 M634	I570-A610 HydrophobicContact CD1-CB 3.66Å; I570-A610 HydrophobicContact CG1-CB 4.03Å; I570-A610 HydrophobicContact CG2-CB 3.82Å; R606-A610 PolarHBondContact O-N 3.29Å; E607-A610 WeakPolarHBondContact O-CA 3.46Å; E607-A610 PolarHBondContact O-N 2.86Å; A610-L632 WeakPolarHBondContact CB-O 3.4Å; A610-Q633 WeakPolarHBondContact O-CA 3.37Å; A610-M634 HydrophobicContact CB-CG 4.38Å; A610-M634 PolarHBondContact O-N 3.18Å
611	Q	83.6	Confident	72.3	Confident	20 Å²	20	83.9 Å²	83.9	9%	0.093	42%	0.415	C	S	.	.	S	Bend	trans	-105	12	178.2	-56.7	-175.3	0.6	0	0	113.1	R606 L609 Y639 I640	R606-Q611 PolarHBondContact O-N 3.42Å; L609-Q611 VanDerWaalsContact C-N 3.3Å; L609-Q611 HydrophobicContact CB-CG 3.93Å; L609-Q611 PolarHBondContact O-N 3.39Å; Q611-Y639 HydrophobicContact CB-CD1 4.04Å; Q611-Y639 HydrophobicContact CB-CD2 4.24Å; Q611-Y639 HydrophobicContact CB-CE1 3.85Å; Q611-Y639 HydrophobicContact CB-CE2 4.11Å; Q611-Y639 HydrophobicContact CB-CG 4.22Å; Q611-Y639 HydrophobicContact CG-CD1 3.6Å; Q611-Y639 HydrophobicContact CG-CD2 4.47Å; Q611-Y639 HydrophobicContact CG-CE1 3.81Å; Q611-Y639 HydrophobicContact CG-CG 3.95Å; Q611-I640 PolarHBondContact NE2-O 2.78Å; Q611-I640 PolarHBondContact OE1-O 3.43Å; Q611-I640 VanDerWaalsContact OE1-O 3.1Å
612	G	73.7	Confident	72.2	Confident	20 Å²	20	85.4 Å²	85.4	21%	0.206	42%	0.415	C	S	.	.	S	Bend	trans	142.3	160.5	178.5	0	0	0	0	0	112.6	R606	R606-G612 CarbonylContact C-O 3.56Å
613	L	65.9	Low	72.1	Confident	50 Å²	50	88 Å²	88	26%	0.262	43%	0.429	S	S	.	.			trans	-72.1	134.4	176	-73.9	142.5	0	0	0	110.1	T615 E626 E629 Q630	L613-T615 PolarHBondContact O-N 2.77Å; L613-E626 HydrophobicContact CD2-CG 4.29Å; L613-E629 HydrophobicContact CD2-CB 4.29Å; L613-E629 WeakPolarHBondContact CD2-OE2 3.41Å; L613-Q630 HydrophobicContact CD1-CG 3.91Å
614	H	61.1	Low	72	Confident	56 Å²	56	89.4 Å²	89.4	26%	0.259	43%	0.432	S	S	.	.			trans	-82.5	109.6	169.8	-156.3	78.5	0	0	0	108.2	N603 E607 Q616	N603-H614 PolarHBondContact O-CE1 2.85Å; E607-H614 HydrophobicContact CG-CB 3.72Å; E607-H614 WeakPolarHBondContact OE1-CB 3.33Å; E607-H614 PolarHBondContact OE1-N 3.48Å; H614-Q616 VanDerWaalsContact CD2-CG 3.49Å; H614-Q616 WeakPolarHBondContact CD2-CG 3.45Å; H614-Q616 PolarHBondContact NE2-NE2 3.41Å; H614-Q616 PolarHBondContact O-N 3.23Å
615	T	56	Low	71.8	Confident	135 Å²	135	85.8 Å²	85.8	83%	0.828	42%	0.422	S	S	*	.			trans	-73.4	39.8	-178.4	-34.8	0	0	0	0	112.8	L613 S617	L613-T615 PolarHBondContact O-N 2.77Å; T615-S617 VanDerWaalsContact C-N 3.29Å; T615-S617 PolarHBondContact O-N 2.98Å
616	Q	54.8	Low	71.4	Confident	114 Å²	114	88.4 Å²	88.4	53%	0.533	43%	0.433	S	S	.	.			trans	-71.6	96	169.5	-88.6	-167.2	37.2	0	0	109	H614 R618 Y619	H614-Q616 VanDerWaalsContact CD2-CG 3.49Å; H614-Q616 WeakPolarHBondContact CD2-CG 3.45Å; H614-Q616 PolarHBondContact NE2-NE2 3.41Å; H614-Q616 PolarHBondContact O-N 3.23Å; Q616-R618 PolarHBondContact O-N 2.73Å; Q616-Y619 PolarHBondContact O-N 2.96Å
617	S	50.8	Low	71	Confident	106 Å²	106	89.5 Å²	89.5	74%	0.741	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-4.5	177.7	-170.6	0	0	0	0	116.2	T615	T615-S617 VanDerWaalsContact C-N 3.29Å; T615-S617 PolarHBondContact O-N 2.98Å
618	R	55.9	Low	70.7	Confident	221 Å²	221	93.6 Å²	93.6	83%	0.834	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.6	-179.2	-72.2	-169.8	-158.3	-165	4.6	113.9	Q616	Q616-R618 PolarHBondContact O-N 2.73Å
619	Y	61.1	Low	70.2	Confident	196 Å²	196	94 Å²	94	77%	0.769	46%	0.455	S	S	*	.	S	Bend	trans	-129.8	98.4	173.2	-68	-82.4	0	0	0	107.6	Q616 K621	Q616-Y619 PolarHBondContact O-N 2.96Å; Y619-K621 PolarHBondContact O-N 3.4Å
620	E	58.5	Low	69.8	Low	186 Å²	186	98.3 Å²	98.3	87%	0.869	48%	0.475	S	S	*	.			trans	-65.4	105.2	167.3	-72.7	-175.2	164.9	0	0	107.3
621	K	66.2	Low	69.5	Low	54 Å²	54	100.9 Å²	100.9	24%	0.235	50%	0.497	C	S	.	.			trans	-65.7	150.2	174.6	-65.6	-174.5	-171.7	-179.2	0	108.8	E607 Y619 E626 E629	E607-K621 IonicContact OE1-NZ 3.67Å; E607-K621 PolarHBondContact OE1-NZ 2.9Å; E607-K621 IonicContact OE2-NZ 3.74Å; Y619-K621 PolarHBondContact O-N 3.4Å; K621-E626 HydrophobicContact CB-CG 3.91Å; K621-E629 IonicContact NZ-OE1 3.99Å; K621-E629 PolarHBondContact NZ-OE1 2.96Å; K621-E629 IonicContact NZ-OE2 2.68Å; K621-E629 PolarHBondContact NZ-OE2 3.37Å
622	T	76.4	Confident	69.5	Low	76 Å²	76	102.4 Å²	102.4	47%	0.466	51%	0.506	S	S	.	.			trans	-64.3	144.3	175.2	58.5	0	0	0	0	109.9	E624 E625 E626	T622-E624 PolarHBondContact O-N 3.24Å; T622-E625 PolarHBondContact N-OE2 2.93Å; T622-E625 WeakPolarHBondContact O-CB 3.35Å; T622-E625 PolarHBondContact O-N 3.17Å; T622-E625 WeakPolarHBondContact OG1-CB 3.47Å; T622-E625 WeakPolarHBondContact OG1-CG 3.39Å; T622-E625 PolarHBondContact OG1-N 3.45Å; T622-E625 PolarHBondContact OG1-OE2 3.37Å; T622-E626 PolarHBondContact O-N 2.9Å
623	T	76.3	Confident	70.1	Confident	101 Å²	101	103.3 Å²	103.3	62%	0.62	50%	0.504	S	S	*	.	H	α-helix	trans	-58.7	-25	-178.5	56.7	0	0	0	0	113	K627	T623-K627 VanDerWaalsContact O-CG 3.32Å; T623-K627 WeakPolarHBondContact O-CG 3.37Å; T623-K627 PolarHBondContact O-N 2.95Å
624	E	75.3	Confident	71.1	Confident	139 Å²	139	102.6 Å²	102.6	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-75.2	-35.8	174.3	-63.1	-169.8	166.6	0	0	113	T622 R628	T622-E624 PolarHBondContact O-N 3.24Å; E624-R628 WeakPolarHBondContact O-CG 3.38Å; E624-R628 PolarHBondContact O-N 2.86Å
625	E	79.4	Confident	72.3	Confident	75 Å²	75	100 Å²	100	35%	0.35	49%	0.488	S	S	.	.	H	α-helix	trans	-68	-42.7	173.2	-76.3	167.2	159.7	0	0	111.2	T622 K627 R628 E629	T622-E625 PolarHBondContact N-OE2 2.93Å; T622-E625 WeakPolarHBondContact O-CB 3.35Å; T622-E625 PolarHBondContact O-N 3.17Å; T622-E625 WeakPolarHBondContact OG1-CB 3.47Å; T622-E625 WeakPolarHBondContact OG1-CG 3.39Å; T622-E625 PolarHBondContact OG1-N 3.45Å; T622-E625 PolarHBondContact OG1-OE2 3.37Å; E625-K627 VanDerWaalsContact C-N 3.3Å; E625-K627 PolarHBondContact O-N 3.25Å; E625-R628 PolarHBondContact O-N 3.42Å; E625-R628 VanDerWaalsContact O-N 3.14Å; E625-E629 WeakPolarHBondContact O-CB 3.25Å; E625-E629 WeakPolarHBondContact O-CG 3.2Å; E625-E629 PolarHBondContact O-N 3.35Å
626	E	76	Confident	73.8	Confident	72 Å²	72	98.3 Å²	98.3	34%	0.336	47%	0.467	S	S	.	.	H	α-helix	trans	-60.2	-41	175.8	-66.5	-172.5	156.8	0	0	111.7	L613 K621 T622 E629 Q630	L613-E626 HydrophobicContact CD2-CG 4.29Å; K621-E626 HydrophobicContact CB-CG 3.91Å; T622-E626 PolarHBondContact O-N 2.9Å; E626-E629 PolarHBondContact O-N 3.46Å; E626-Q630 VanDerWaalsContact O-CB 3.3Å; E626-Q630 WeakPolarHBondContact O-CB 3.43Å; E626-Q630 WeakPolarHBondContact O-CG 3.32Å; E626-Q630 PolarHBondContact O-N 3.47Å
627	K	77.5	Confident	75.4	Confident	146 Å²	146	95.2 Å²	95.2	64%	0.635	45%	0.453	S	S	*	.	H	α-helix	trans	-64.2	-40.3	174.5	-76.3	177.8	-178.5	-175.9	0	112.5	T623 E625 Q630 A631	T623-K627 VanDerWaalsContact O-CG 3.32Å; T623-K627 WeakPolarHBondContact O-CG 3.37Å; T623-K627 PolarHBondContact O-N 2.95Å; E625-K627 VanDerWaalsContact C-N 3.3Å; E625-K627 PolarHBondContact O-N 3.25Å; K627-Q630 PolarHBondContact O-N 3.12Å; K627-A631 WeakPolarHBondContact O-CB 3.32Å; K627-A631 PolarHBondContact O-N 3.18Å
628	R	77.7	Confident	77.2	Confident	132 Å²	132	90.4 Å²	90.4	50%	0.498	42%	0.418	S	S	.	.	H	α-helix	trans	-65.4	-42.9	175.2	-77.9	-172.3	-80.6	123.6	-9.8	111.5	E624 E625 A631 L632	E624-R628 WeakPolarHBondContact O-CG 3.38Å; E624-R628 PolarHBondContact O-N 2.86Å; E625-R628 PolarHBondContact O-N 3.42Å; E625-R628 VanDerWaalsContact O-N 3.14Å; R628-A631 PolarHBondContact O-N 2.93Å; R628-L632 WeakPolarHBondContact O-CG 3.44Å; R628-L632 PolarHBondContact O-N 2.9Å
629	E	76.4	Confident	78.8	Confident	67 Å²	67	83.1 Å²	83.1	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-65.9	-40.1	175.9	-73.1	-174.4	178.2	0	0	111.6	L613 K621 E625 E626 L632 Q633	L613-E629 HydrophobicContact CD2-CB 4.29Å; L613-E629 WeakPolarHBondContact CD2-OE2 3.41Å; K621-E629 IonicContact NZ-OE1 3.99Å; K621-E629 PolarHBondContact NZ-OE1 2.96Å; K621-E629 IonicContact NZ-OE2 2.68Å; K621-E629 PolarHBondContact NZ-OE2 3.37Å; E625-E629 WeakPolarHBondContact O-CB 3.25Å; E625-E629 WeakPolarHBondContact O-CG 3.2Å; E625-E629 PolarHBondContact O-N 3.35Å; E626-E629 PolarHBondContact O-N 3.46Å; E629-L632 CarbonylContact O-C 3.6Å; E629-L632 PolarHBondContact O-N 3.47Å; E629-L632 VanDerWaalsContact O-N 3.13Å; E629-Q633 WeakPolarHBondContact O-CG 3.35Å; E629-Q633 PolarHBondContact O-N 3.33Å
630	Q	78.4	Confident	80.2	Confident	90 Å²	90	74.4 Å²	74.4	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-43.3	173.3	-76.7	171	13.6	0	0	111.8	L613 E626 K627 L632 Q633	L613-Q630 HydrophobicContact CD1-CG 3.91Å; E626-Q630 VanDerWaalsContact O-CB 3.3Å; E626-Q630 WeakPolarHBondContact O-CB 3.43Å; E626-Q630 WeakPolarHBondContact O-CG 3.32Å; E626-Q630 PolarHBondContact O-N 3.47Å; K627-Q630 PolarHBondContact O-N 3.12Å; Q630-L632 PolarHBondContact O-N 3.26Å; Q630-Q633 WeakPolarHBondContact O-CB 3.37Å; Q630-Q633 PolarHBondContact O-N 2.88Å; Q630-Q633 VanDerWaalsContact O-N 3.08Å
631	A	79	Confident	81.7	Confident	63 Å²	63	68.5 Å²	68.5	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-24.1	175.9	0	0	0	0	0	113.3	Q431 K627 R628	Q431-A631 PolarHBondContact NE2-O 3.46Å; K627-A631 WeakPolarHBondContact O-CB 3.32Å; K627-A631 PolarHBondContact O-N 3.18Å; R628-A631 PolarHBondContact O-N 2.93Å
632	L	83.9	Confident	82.8	Confident	52 Å²	52	66.9 Å²	66.9	27%	0.272	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.4	176.7	-67.6	169.6	0	0	0	113.5	Q566 I570 A610 R628 E629 Q630	Q566-L632 HydrophobicContact CB-CD1 4.16Å; I570-L632 HydrophobicContact CD1-CB 4.21Å; A610-L632 WeakPolarHBondContact CB-O 3.4Å; R628-L632 WeakPolarHBondContact O-CG 3.44Å; R628-L632 PolarHBondContact O-N 2.9Å; E629-L632 CarbonylContact O-C 3.6Å; E629-L632 PolarHBondContact O-N 3.47Å; E629-L632 VanDerWaalsContact O-N 3.13Å; Q630-L632 PolarHBondContact O-N 3.26Å
633	Q	85	Confident	83.4	Confident	39 Å²	39	66.7 Å²	66.7	18%	0.182	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.3	137.9	179.6	-72.6	176.4	12.6	0	0	110.9	Q431 A610 E629 Q630	Q431-Q633 WeakPolarHBondContact CG-O 3.41Å; Q431-Q633 PolarHBondContact NE2-O 2.8Å; A610-Q633 WeakPolarHBondContact O-CA 3.37Å; E629-Q633 WeakPolarHBondContact O-CG 3.35Å; E629-Q633 PolarHBondContact O-N 3.33Å; Q630-Q633 WeakPolarHBondContact O-CB 3.37Å; Q630-Q633 PolarHBondContact O-N 2.88Å; Q630-Q633 VanDerWaalsContact O-N 3.08Å
634	M	86.9	Confident	84.1	Confident	34 Å²	34	62.4 Å²	62.4	17%	0.167	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74.4	152.2	173.3	-59.9	-56.9	-60	0	0	109.6	F427 I570 A610 M638 Y639	F427-M634 HydrophobicContact CE1-CE 4.4Å; I570-M634 HydrophobicContact CG2-CG 4.27Å; I570-M634 HydrophobicContact CG2-SD 4.4Å; A610-M634 HydrophobicContact CB-CG 4.38Å; A610-M634 PolarHBondContact O-N 3.18Å; M634-M638 HydrophobicContact CB-CB 4.39Å; M634-M638 HydrophobicContact CE-CE 3.33Å; M634-M638 HydrophobicContact CE-SD 3.42Å; M634-M638 WeakPolarHBondContact CE-SD 3.35Å; M634-Y639 HydrophobicContact CB-CD1 4.44Å; M634-Y639 HydrophobicContact CB-CE1 4.11Å; M634-Y639 WeakPolarHBondContact O-CE1 3.41Å; M634-Y639 PolarHBondContact O-OH 2.86Å; M634-Y639 VanDerWaalsContact O-OH 3.13Å
635	P	87.7	Confident	84.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60.7	150.6	168.5	-27.6	37.1	0	0	0	113	F427 L430 Y440 H637 M638 Y639	F427-P635 HydrophobicContact CD1-CG 3.56Å; F427-P635 HydrophobicContact CE1-CG 3.88Å; L430-P635 HydrophobicContact CB-CB 3.96Å; L430-P635 HydrophobicContact CB-CG 4.05Å; Y440-P635 WeakPolarHBondContact OH-CB 3.41Å; P635-H637 VanDerWaalsContact CB-CE1 3.45Å; P635-H637 WeakPolarHBondContact CB-CE1 3.29Å; P635-H637 PolarHBondContact O-N 3.3Å; P635-M638 HydrophobicContact CG-SD 4.41Å; P635-M638 WeakPolarHBondContact O-CB 3.38Å; P635-M638 PolarHBondContact O-N 3.12Å; P635-Y639 WeakPolarHBondContact O-CD1 3.42Å
636	Y	86.9	Confident	85.4	Confident	100 Å²	100	55.4 Å²	55.4	39%	0.392	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-54.9	-39.6	-177.5	-174.6	-103.5	0	0	0	115	H436 Y440 M638 Y639	H436-Y636 AromaticContact CE1-CZ 3.99Å; H436-Y636 PolarHBondContact CE1-OH 3.28Å; Y440-Y636 PolarHBondContact OH-N 3.47Å; Y636-M638 PolarHBondContact O-N 3.21Å; Y636-M638 VanDerWaalsContact O-N 3.15Å; Y636-Y639 AromaticContact CD2-CD2 3.48Å; Y636-Y639 HydrophobicContact CD2-CD2 3.48Å; Y636-Y639 VanDerWaalsContact CD2-CD2 3.48Å; Y636-Y639 AromaticContact CD2-CE2 3.75Å; Y636-Y639 HydrophobicContact CD2-CE2 3.75Å; Y636-Y639 HydrophobicContact CD2-CG 4.35Å; Y636-Y639 HydrophobicContact CE2-CD2 4.03Å; Y636-Y639 HydrophobicContact CG-CD2 4.31Å; Y636-Y639 VanDerWaalsContact O-CB 3.26Å; Y636-Y639 WeakPolarHBondContact O-CB 2.99Å; Y636-Y639 PolarHBondContact O-N 3.44Å
637	H	87.8	Confident	86.1	Confident	49 Å²	49	52 Å²	52	23%	0.227	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.1	-16.1	177.9	66.6	-88.5	0	0	0	113.6	Y440 L444 Y484 P635	Y440-H637 HydrophobicContact CE1-CB 4.16Å; Y440-H637 AromaticContact CZ-ND1 3.76Å; Y440-H637 PolarHBondContact OH-N 2.87Å; Y440-H637 VanDerWaalsContact OH-N 3.07Å; Y440-H637 PolarHBondContact OH-ND1 3.33Å; L444-H637 HydrophobicContact CD2-CB 4.41Å; Y484-H637 AromaticContact CE2-CD2 3.59Å; Y484-H637 AromaticContact CE2-NE2 3.92Å; Y484-H637 AromaticContact CZ-CD2 3.93Å; Y484-H637 AromaticContact CZ-NE2 3.75Å; Y484-H637 PolarHBondContact OH-NE2 3.49Å; P635-H637 VanDerWaalsContact CB-CE1 3.45Å; P635-H637 WeakPolarHBondContact CB-CE1 3.29Å; P635-H637 PolarHBondContact O-N 3.3Å
638	M	88.8	Confident	86.8	Confident	5 Å²	5	45 Å²	45	3%	0.025	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-91.3	-0	173.1	-57.7	-176.3	72.3	0	0	111.8	F427 Y483 Y484 R574 M634 P635 Y636 I640	F427-M638 HydrophobicContact CE1-SD 3.84Å; F427-M638 HydrophobicContact CZ-SD 4.37Å; Y483-M638 HydrophobicContact CE1-CE 4.04Å; Y483-M638 WeakPolarHBondContact OH-CE 3.01Å; Y484-M638 HydrophobicContact CD1-CE 3.71Å; Y484-M638 HydrophobicContact CD2-CG 4.46Å; Y484-M638 HydrophobicContact CE1-CE 3.99Å; Y484-M638 HydrophobicContact CE1-CG 4.45Å; Y484-M638 HydrophobicContact CE1-SD 4.3Å; Y484-M638 HydrophobicContact CE2-CG 4.41Å; Y484-M638 HydrophobicContact CG-CE 4.28Å; R574-M638 PolarHBondContact NH1-O 3.2Å; R574-M638 PolarHBondContact NH2-O 3.32Å; M634-M638 HydrophobicContact CB-CB 4.39Å; M634-M638 HydrophobicContact CE-CE 3.33Å; M634-M638 HydrophobicContact CE-SD 3.42Å; M634-M638 WeakPolarHBondContact CE-SD 3.35Å; P635-M638 HydrophobicContact CG-SD 4.41Å; P635-M638 WeakPolarHBondContact O-CB 3.38Å; P635-M638 PolarHBondContact O-N 3.12Å; Y636-M638 PolarHBondContact O-N 3.21Å; Y636-M638 VanDerWaalsContact O-N 3.15Å; M638-I640 PolarHBondContact O-N 3.5Å
639	Y	90.3	Very high	87.5	Confident	69 Å²	69	39 Å²	39	27%	0.271	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-69.8	134.1	179.3	-70.5	-1.2	0	0	0	111.4	Q611 M634 P635 Y636	Q611-Y639 HydrophobicContact CB-CD1 4.04Å; Q611-Y639 HydrophobicContact CB-CD2 4.24Å; Q611-Y639 HydrophobicContact CB-CE1 3.85Å; Q611-Y639 HydrophobicContact CB-CE2 4.11Å; Q611-Y639 HydrophobicContact CB-CG 4.22Å; Q611-Y639 HydrophobicContact CG-CD1 3.6Å; Q611-Y639 HydrophobicContact CG-CD2 4.47Å; Q611-Y639 HydrophobicContact CG-CE1 3.81Å; Q611-Y639 HydrophobicContact CG-CG 3.95Å; M634-Y639 HydrophobicContact CB-CD1 4.44Å; M634-Y639 HydrophobicContact CB-CE1 4.11Å; M634-Y639 WeakPolarHBondContact O-CE1 3.41Å; M634-Y639 PolarHBondContact O-OH 2.86Å; M634-Y639 VanDerWaalsContact O-OH 3.13Å; P635-Y639 WeakPolarHBondContact O-CD1 3.42Å; Y636-Y639 AromaticContact CD2-CD2 3.48Å; Y636-Y639 HydrophobicContact CD2-CD2 3.48Å; Y636-Y639 VanDerWaalsContact CD2-CD2 3.48Å; Y636-Y639 AromaticContact CD2-CE2 3.75Å; Y636-Y639 HydrophobicContact CD2-CE2 3.75Å; Y636-Y639 HydrophobicContact CD2-CG 4.35Å; Y636-Y639 HydrophobicContact CE2-CD2 4.03Å; Y636-Y639 HydrophobicContact CG-CD2 4.31Å; Y636-Y639 VanDerWaalsContact O-CB 3.26Å; Y636-Y639 WeakPolarHBondContact O-CB 2.99Å; Y636-Y639 PolarHBondContact O-N 3.44Å
640	I	90.4	Very high	88.3	Confident	13 Å²	13	36.1 Å²	36.1	7%	0.067	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-94.5	120.2	166.6	-53	173.8	0	0	0	105.6	Y537 V577 L581 Q611 M638 I642 I645	Y537-I640 HydrophobicContact CE2-CD1 4.28Å; V577-I640 HydrophobicContact CG1-CD1 4.1Å; V577-I640 HydrophobicContact CG1-CG2 4.3Å; L581-I640 HydrophobicContact CD1-CG2 3.93Å; Q611-I640 PolarHBondContact NE2-O 2.78Å; Q611-I640 PolarHBondContact OE1-O 3.43Å; Q611-I640 VanDerWaalsContact OE1-O 3.1Å; M638-I640 PolarHBondContact O-N 3.5Å; I640-I642 PolarHBondContact O-N 3.33Å; I640-I642 VanDerWaalsContact O-N 3.16Å; I640-I645 HydrophobicContact CB-CD1 4.14Å; I640-I645 HydrophobicContact CG2-CD1 3.69Å; I640-I645 HydrophobicContact CG2-CG1 3.88Å
641	N	89.4	Confident	89	Confident	61 Å²	61	31.9 Å²	31.9	33%	0.326	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-54.8	121	-176.9	-175.3	-6.1	0	0	0	111	D643 L644 I645 L731	N641-D643 VanDerWaalsContact C-N 3.32Å; N641-D643 PolarHBondContact O-N 3.32Å; N641-D643 PolarHBondContact OD1-N 3.39Å; N641-L644 HydrophobicContact CB-CB 4.01Å; N641-L644 WeakPolarHBondContact O-CB 3.44Å; N641-L644 PolarHBondContact O-N 2.85Å; N641-I645 WeakPolarHBondContact O-CG1 3.43Å; N641-I645 PolarHBondContact O-N 3.24Å; N641-L731 HydrophobicContact CB-CD1 4.21Å; N641-L731 WeakPolarHBondContact ND2-CD1 3.41Å
642	I	90.2	Very high	89.6	Confident	21 Å²	21	28.9 Å²	28.9	11%	0.108	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-37.4	-177.8	-61.2	144.7	0	0	0	111	I605 R606 I640 L644 I645 E646	I605-I642 HydrophobicContact CG2-CG2 3.76Å; R606-I642 HydrophobicContact CG-CD1 3.62Å; R606-I642 HydrophobicContact CG-CG1 4.46Å; I640-I642 PolarHBondContact O-N 3.33Å; I640-I642 VanDerWaalsContact O-N 3.16Å; I642-L644 PolarHBondContact O-N 3.49Å; I642-I645 PolarHBondContact O-N 3.07Å; I642-I645 VanDerWaalsContact O-N 3.14Å; I642-E646 PolarHBondContact O-N 3.37Å
643	D	89.2	Confident	90	Very high	71 Å²	71	26.5 Å²	26.5	38%	0.38	12%	0.124	S	C	.	.	H	α-helix	trans	-64.7	-33.4	178.9	-65.7	-14.1	0	0	0	111.2	N641 C647	N641-D643 VanDerWaalsContact C-N 3.32Å; N641-D643 PolarHBondContact O-N 3.32Å; N641-D643 PolarHBondContact OD1-N 3.39Å; D643-C647 WeakPolarHBondContact O-CB 3.27Å; D643-C647 PolarHBondContact O-N 2.91Å
644	L	91	Very high	90.4	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.058	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-46.9	173.4	169.7	65.9	0	0	0	110.5	L581 N641 I642 C647 V648 I728 L732	L581-L644 HydrophobicContact CD2-CG 4.42Å; N641-L644 HydrophobicContact CB-CB 4.01Å; N641-L644 WeakPolarHBondContact O-CB 3.44Å; N641-L644 PolarHBondContact O-N 2.85Å; I642-L644 PolarHBondContact O-N 3.49Å; L644-C647 PolarHBondContact O-N 3.48Å; L644-V648 HydrophobicContact CD1-CG2 4Å; L644-V648 WeakPolarHBondContact O-CB 3.23Å; L644-V648 VanDerWaalsContact O-CG2 3.27Å; L644-V648 WeakPolarHBondContact O-CG2 3.46Å; L644-V648 PolarHBondContact O-N 3.47Å; L644-I728 HydrophobicContact CD1-CB 4.49Å; L644-I728 HydrophobicContact CD1-CG2 3.46Å; L644-I728 VanDerWaalsContact CD1-CG2 3.46Å; L644-L732 HydrophobicContact CD1-CD1 4.23Å; L644-L732 HydrophobicContact CD1-CD2 3.97Å; L644-L732 HydrophobicContact CD1-CG 4.01Å; L644-L732 HydrophobicContact CD2-CD2 3.95Å
645	I	91.7	Very high	90.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.7	-46.7	-179.9	-59.3	161.9	0	0	0	110.5	V577 L596 I600 I605 L609 I640 N641 I642 V648 Y649	V577-I645 HydrophobicContact CG1-CD1 3.52Å; V577-I645 HydrophobicContact CG1-CG1 3.7Å; V577-I645 HydrophobicContact CG1-CG2 4.3Å; L596-I645 HydrophobicContact CD1-CG2 4.45Å; L596-I645 HydrophobicContact CD2-CG2 3.97Å; I600-I645 HydrophobicContact CD1-CG2 4.1Å; I605-I645 HydrophobicContact CD1-CB 4.44Å; I605-I645 HydrophobicContact CD1-CD1 4.45Å; I605-I645 HydrophobicContact CD1-CG2 3.8Å; L609-I645 HydrophobicContact CD1-CD1 3.76Å; I640-I645 HydrophobicContact CB-CD1 4.14Å; I640-I645 HydrophobicContact CG2-CD1 3.69Å; I640-I645 HydrophobicContact CG2-CG1 3.88Å; N641-I645 WeakPolarHBondContact O-CG1 3.43Å; N641-I645 PolarHBondContact O-N 3.24Å; I642-I645 PolarHBondContact O-N 3.07Å; I642-I645 VanDerWaalsContact O-N 3.14Å; I645-V648 PolarHBondContact O-N 3.44Å; I645-Y649 WeakPolarHBondContact O-CB 3.49Å; I645-Y649 PolarHBondContact O-N 2.82Å
646	E	89.7	Confident	90.8	Very high	67 Å²	67	24.5 Å²	24.5	31%	0.313	12%	0.115	S	C	.	.	H	α-helix	trans	-62.2	-45.1	177.6	-172.1	178.5	168.2	0	0	110.9	I642 Y649 L650	I642-E646 PolarHBondContact O-N 3.37Å; E646-Y649 PolarHBondContact O-N 3Å; E646-L650 HydrophobicContact CG-CD1 3.89Å; E646-L650 HydrophobicContact CG-CG 4.26Å; E646-L650 WeakPolarHBondContact O-CB 3.33Å; E646-L650 VanDerWaalsContact O-CG 3.23Å; E646-L650 WeakPolarHBondContact O-CG 3.34Å; E646-L650 PolarHBondContact O-N 3.38Å
647	C	90.9	Very high	90.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-45.1	177.2	-173.8	0	0	0	0	112.3	D643 L644 Y649 L650 V651 M724 I728	D643-C647 WeakPolarHBondContact O-CB 3.27Å; D643-C647 PolarHBondContact O-N 2.91Å; L644-C647 PolarHBondContact O-N 3.48Å; C647-Y649 VanDerWaalsContact C-N 3.29Å; C647-Y649 PolarHBondContact O-N 3.23Å; C647-L650 PolarHBondContact O-N 3.33Å; C647-V651 WeakPolarHBondContact O-CB 3.38Å; C647-V651 VanDerWaalsContact O-CG2 3.25Å; C647-V651 WeakPolarHBondContact O-CG2 3.49Å; C647-V651 PolarHBondContact O-N 3.39Å; C647-M724 VanDerWaalsContact SG-CE 3.53Å; C647-I728 HydrophobicContact CB-CD1 3.53Å; C647-I728 HydrophobicContact CB-CG1 4.37Å; C647-I728 HydrophobicContact CB-CG2 4.35Å; C647-I728 VanDerWaalsContact SG-CD1 3.58Å
648	V	91.9	Very high	90.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-41.5	178.5	165.9	0	0	0	0	110.9	L581 F584 L596 L644 I645 S652	L581-V648 HydrophobicContact CD2-CB 4.18Å; L581-V648 HydrophobicContact CD2-CG1 4.15Å; L581-V648 HydrophobicContact CD2-CG2 3.9Å; F584-V648 HydrophobicContact CB-CG1 3.74Å; F584-V648 HydrophobicContact CD1-CG1 4.03Å; F584-V648 HydrophobicContact CD1-CG2 4.09Å; F584-V648 HydrophobicContact CD2-CG1 3.62Å; F584-V648 HydrophobicContact CE1-CG2 4.23Å; F584-V648 HydrophobicContact CE2-CG1 4.21Å; F584-V648 HydrophobicContact CG-CG1 3.5Å; F584-V648 HydrophobicContact CG-CG2 4.41Å; L596-V648 HydrophobicContact CD1-CG1 3.93Å; L644-V648 HydrophobicContact CD1-CG2 4Å; L644-V648 WeakPolarHBondContact O-CB 3.23Å; L644-V648 VanDerWaalsContact O-CG2 3.27Å; L644-V648 WeakPolarHBondContact O-CG2 3.46Å; L644-V648 PolarHBondContact O-N 3.47Å; I645-V648 PolarHBondContact O-N 3.44Å; V648-S652 VanDerWaalsContact O-CB 3.32Å; V648-S652 WeakPolarHBondContact O-CB 3.47Å; V648-S652 PolarHBondContact O-N 3.36Å; V648-S652 PolarHBondContact O-OG 2.92Å
649	Y	93.1	Very high	90.7	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-47.6	174.7	171.5	-102.3	0	0	0	112.7	H593 L596 A597 I600 I645 E646 C647 V651 S652 A653 S674 P676	H593-Y649 AromaticContact CE1-CE2 3.37Å; H593-Y649 WeakPolarHBondContact CE1-CE2 3.24Å; H593-Y649 AromaticContact CE1-CZ 3.83Å; H593-Y649 AromaticContact ND1-CD2 3.84Å; H593-Y649 AromaticContact ND1-CE2 3.51Å; L596-Y649 HydrophobicContact CB-CD2 3.97Å; A597-Y649 HydrophobicContact CB-CE2 4.17Å; I600-Y649 HydrophobicContact CB-CD1 4.29Å; I600-Y649 HydrophobicContact CB-CE1 4.39Å; I600-Y649 HydrophobicContact CB-CG 4.48Å; I600-Y649 HydrophobicContact CD1-CD1 3.61Å; I600-Y649 HydrophobicContact CD1-CD2 3.85Å; I600-Y649 HydrophobicContact CD1-CE1 4.47Å; I600-Y649 HydrophobicContact CD1-CG 3.23Å; I600-Y649 HydrophobicContact CG1-CG 4.44Å; I600-Y649 HydrophobicContact CG2-CD1 3.88Å; I600-Y649 HydrophobicContact CG2-CE1 3.9Å; I645-Y649 WeakPolarHBondContact O-CB 3.49Å; I645-Y649 PolarHBondContact O-N 2.82Å; E646-Y649 PolarHBondContact O-N 3Å; C647-Y649 VanDerWaalsContact C-N 3.29Å; C647-Y649 PolarHBondContact O-N 3.23Å; Y649-V651 VanDerWaalsContact C-N 3.35Å; Y649-V651 PolarHBondContact O-N 3.09Å; Y649-S652 PolarHBondContact O-N 2.87Å; Y649-A653 WeakPolarHBondContact O-CB 3.47Å; Y649-A653 PolarHBondContact O-N 3.13Å; Y649-S674 PolarHBondContact OH-OG 3.4Å; Y649-P676 HydrophobicContact CE1-CB 4.27Å
650	L	92.3	Very high	90.5	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-64.6	-39.5	-179.6	-70.6	173.4	0	0	0	111.4	E646 C647 A653 M654 F677 R697 V700	E646-L650 HydrophobicContact CG-CD1 3.89Å; E646-L650 HydrophobicContact CG-CG 4.26Å; E646-L650 WeakPolarHBondContact O-CB 3.33Å; E646-L650 VanDerWaalsContact O-CG 3.23Å; E646-L650 WeakPolarHBondContact O-CG 3.34Å; E646-L650 PolarHBondContact O-N 3.38Å; C647-L650 PolarHBondContact O-N 3.33Å; L650-A653 PolarHBondContact O-N 2.85Å; L650-M654 WeakPolarHBondContact O-CB 3.3Å; L650-M654 PolarHBondContact O-N 3.1Å; L650-F677 HydrophobicContact CD2-CB 4.39Å; L650-F677 HydrophobicContact CD2-CD2 3.88Å; L650-R697 HydrophobicContact CD1-CB 4.07Å; L650-R697 HydrophobicContact CD1-CG 3.87Å; L650-V700 HydrophobicContact CB-CB 4.38Å; L650-V700 HydrophobicContact CB-CG1 3.89Å; L650-V700 HydrophobicContact CB-CG2 4.49Å
651	V	92.3	Very high	90.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-42.4	174.1	171.6	0	0	0	0	110.7	F584 C647 Y649 M654 L655 V700 L742	F584-V651 HydrophobicContact CE2-CG1 4.13Å; F584-V651 HydrophobicContact CZ-CG1 4.19Å; C647-V651 WeakPolarHBondContact O-CB 3.38Å; C647-V651 VanDerWaalsContact O-CG2 3.25Å; C647-V651 WeakPolarHBondContact O-CG2 3.49Å; C647-V651 PolarHBondContact O-N 3.39Å; Y649-V651 VanDerWaalsContact C-N 3.35Å; Y649-V651 PolarHBondContact O-N 3.09Å; V651-M654 WeakPolarHBondContact O-CB 3.21Å; V651-M654 PolarHBondContact O-N 3.15Å; V651-L655 HydrophobicContact CG1-CD1 4.28Å; V651-L655 WeakPolarHBondContact O-CG 3.27Å; V651-L655 PolarHBondContact O-N 2.95Å; V651-V700 HydrophobicContact CG2-CG1 4.29Å; V651-V700 HydrophobicContact CG2-CG2 3.71Å; V651-L742 HydrophobicContact CG1-CD1 3.64Å; V651-L742 HydrophobicContact CG1-CD2 4.38Å
652	S	92.8	Very high	89.8	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.7	-41.7	176.4	-57.2	0	0	0	0	111.7	F584 V648 Y649 L655 L656	F584-S652 WeakPolarHBondContact CD2-OG 3.33Å; V648-S652 VanDerWaalsContact O-CB 3.32Å; V648-S652 WeakPolarHBondContact O-CB 3.47Å; V648-S652 PolarHBondContact O-N 3.36Å; V648-S652 PolarHBondContact O-OG 2.92Å; Y649-S652 PolarHBondContact O-N 2.87Å; S652-L655 PolarHBondContact O-N 3.12Å; S652-L656 WeakPolarHBondContact O-CG 3.11Å; S652-L656 PolarHBondContact O-N 3.3Å
653	A	92.6	Very high	89.4	Confident	2 Å²	2	15.8 Å²	15.8	2%	0.017	9%	0.088	C	C	.	.	H	α-helix	trans	-64.3	-41.7	173.9	0	0	0	0	0	111.3	Y649 L650 L655 L656 E657 F677	Y649-A653 WeakPolarHBondContact O-CB 3.47Å; Y649-A653 PolarHBondContact O-N 3.13Å; L650-A653 PolarHBondContact O-N 2.85Å; A653-L655 PolarHBondContact O-N 3.37Å; A653-L656 PolarHBondContact O-N 3.08Å; A653-E657 WeakPolarHBondContact O-CB 3.38Å; A653-E657 PolarHBondContact O-N 3.49Å; A653-F677 HydrophobicContact CB-CB 3.78Å; A653-F677 HydrophobicContact CB-CD1 4.44Å; A653-F677 HydrophobicContact CB-CD2 4.1Å; A653-F677 HydrophobicContact CB-CG 3.86Å
654	M	92.2	Very high	88.7	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.3	-47.9	176.8	-174.3	-163	71.7	0	0	111.6	L650 V651 L656 I658 F677 V700 A703 A704 M707 I719	L650-M654 WeakPolarHBondContact O-CB 3.3Å; L650-M654 PolarHBondContact O-N 3.1Å; V651-M654 WeakPolarHBondContact O-CB 3.21Å; V651-M654 PolarHBondContact O-N 3.15Å; M654-L656 VanDerWaalsContact C-N 3.3Å; M654-L656 PolarHBondContact O-N 3.04Å; M654-I658 HydrophobicContact CB-CD1 4.4Å; M654-I658 HydrophobicContact CG-CD1 3.3Å; M654-I658 HydrophobicContact CG-CG1 4.26Å; M654-I658 WeakPolarHBondContact O-CB 3.49Å; M654-I658 WeakPolarHBondContact O-CD1 3.48Å; M654-I658 VanDerWaalsContact O-CG1 3.25Å; M654-I658 WeakPolarHBondContact O-CG1 3.33Å; M654-I658 PolarHBondContact O-N 3.38Å; M654-I658 HydrophobicContact SD-CD1 4.39Å; M654-F677 HydrophobicContact CB-CE2 3.99Å; M654-F677 HydrophobicContact CB-CZ 4Å; M654-F677 HydrophobicContact CG-CZ 4.24Å; M654-V700 HydrophobicContact CB-CG1 4.19Å; M654-V700 HydrophobicContact CG-CG1 4.48Å; M654-V700 HydrophobicContact SD-CG1 4.11Å; M654-A703 HydrophobicContact SD-CB 3.9Å; M654-A704 HydrophobicContact CG-CB 3.97Å; M654-A704 HydrophobicContact SD-CB 4.37Å; M654-M707 HydrophobicContact CE-SD 3.85Å; M654-M707 HydrophobicContact CG-SD 4.36Å; M654-M707 HydrophobicContact SD-SD 4.42Å; M654-I719 HydrophobicContact CE-CD1 3.59Å; M654-I719 HydrophobicContact SD-CD1 4.13Å
655	L	92.5	Very high	87.7	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-67.8	-27.6	-178.8	-68.5	173.8	0	0	0	113.2	I589 V651 S652 A653 P659 M707 L742 K745 I746 E749	I589-L655 HydrophobicContact CD1-CD1 3.59Å; I589-L655 HydrophobicContact CG1-CD1 4.28Å; I589-L655 HydrophobicContact CG2-CB 4.33Å; I589-L655 HydrophobicContact CG2-CD1 4.36Å; V651-L655 HydrophobicContact CG1-CD1 4.28Å; V651-L655 WeakPolarHBondContact O-CG 3.27Å; V651-L655 PolarHBondContact O-N 2.95Å; S652-L655 PolarHBondContact O-N 3.12Å; A653-L655 PolarHBondContact O-N 3.37Å; L655-P659 WeakPolarHBondContact O-CD 3.09Å; L655-P659 WeakPolarHBondContact O-CG 3.43Å; L655-M707 HydrophobicContact CD2-CE 3.93Å; L655-M707 HydrophobicContact CD2-SD 4.26Å; L655-L742 HydrophobicContact CD1-CD1 3.94Å; L655-K745 HydrophobicContact CD1-CB 4.34Å; L655-I746 HydrophobicContact CD2-CG1 3.99Å; L655-E749 HydrophobicContact CD2-CB 4.25Å; L655-E749 HydrophobicContact CD2-CG 4.29Å
656	L	90.8	Very high	86.1	Confident	31 Å²	31	26.5 Å²	26.5	16%	0.162	14%	0.141	C	C	.	.	H	α-helix	trans	-90.2	-41.6	178.7	-63.9	173.7	0	0	0	112.6	I589 R590 H593 S652 A653 M654 N660 I673	I589-L656 HydrophobicContact CG2-CG 4.33Å; R590-L656 HydrophobicContact CG-CD1 4.31Å; R590-L656 HydrophobicContact CG-CD2 3.62Å; H593-L656 HydrophobicContact CB-CD1 3.74Å; S652-L656 WeakPolarHBondContact O-CG 3.11Å; S652-L656 PolarHBondContact O-N 3.3Å; A653-L656 PolarHBondContact O-N 3.08Å; M654-L656 VanDerWaalsContact C-N 3.3Å; M654-L656 PolarHBondContact O-N 3.04Å; L656-N660 WeakPolarHBondContact O-CB 3.36Å; L656-I673 HydrophobicContact CB-CD1 4.11Å
657	E	88.1	Confident	84.9	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-79.8	-38.3	-171	-166.6	78.9	152.7	0	0	112.2	A653 N660 L661 W670 P672 I673 F677	A653-E657 WeakPolarHBondContact O-CB 3.38Å; A653-E657 PolarHBondContact O-N 3.49Å; E657-N660 CarbonylContact O-C 3.36Å; E657-N660 WeakPolarHBondContact O-CB 3.42Å; E657-N660 PolarHBondContact O-N 2.81Å; E657-L661 VanDerWaalsContact O-CB 3.24Å; E657-L661 WeakPolarHBondContact O-CB 3.29Å; E657-L661 PolarHBondContact O-N 2.85Å; E657-W670 HydrophobicContact CG-CZ2 4.35Å; E657-W670 WeakPolarHBondContact OE1-CZ2 3.26Å; E657-P672 WeakPolarHBondContact OE1-CA 3.29Å; E657-P672 VanDerWaalsContact OE1-CB 3.28Å; E657-P672 WeakPolarHBondContact OE1-CB 3.34Å; E657-I673 PolarHBondContact OE1-N 3.42Å; E657-I673 WeakPolarHBondContact OE2-CB 3.42Å; E657-I673 WeakPolarHBondContact OE2-CD1 3.23Å; E657-I673 WeakPolarHBondContact OE2-CG1 3.24Å; E657-I673 PolarHBondContact OE2-N 3.09Å; E657-F677 HydrophobicContact CB-CD1 4.05Å; E657-F677 HydrophobicContact CB-CE1 4.02Å; E657-F677 HydrophobicContact CG-CD1 4.04Å; E657-F677 HydrophobicContact CG-CE1 4.17Å
658	I	87.9	Confident	83.3	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.046	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-47.7	-174.6	-63.6	173.2	0	0	0	112.7	M654 N660 L661 A662 A704 M707 R708	M654-I658 HydrophobicContact CB-CD1 4.4Å; M654-I658 HydrophobicContact CG-CD1 3.3Å; M654-I658 HydrophobicContact CG-CG1 4.26Å; M654-I658 WeakPolarHBondContact O-CB 3.49Å; M654-I658 WeakPolarHBondContact O-CD1 3.48Å; M654-I658 VanDerWaalsContact O-CG1 3.25Å; M654-I658 WeakPolarHBondContact O-CG1 3.33Å; M654-I658 PolarHBondContact O-N 3.38Å; M654-I658 HydrophobicContact SD-CD1 4.39Å; I658-N660 PolarHBondContact O-N 2.64Å; I658-L661 PolarHBondContact O-N 3.22Å; I658-A662 WeakPolarHBondContact O-CB 3.32Å; I658-A662 PolarHBondContact O-N 3.28Å; I658-A704 HydrophobicContact CD1-CB 3.54Å; I658-A704 WeakPolarHBondContact CD1-O 3.42Å; I658-A704 HydrophobicContact CG1-CB 4.45Å; I658-M707 HydrophobicContact CD1-CB 3.94Å; I658-M707 HydrophobicContact CD1-CG 4.14Å; I658-M707 HydrophobicContact CD1-SD 3.85Å; I658-M707 HydrophobicContact CG2-CB 4.43Å; I658-M707 HydrophobicContact CG2-CG 4.12Å; I658-R708 HydrophobicContact CG2-CB 4.35Å
659	P	86.2	Confident	81.8	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-36.5	174.6	-20.6	32.1	0	0	0	111.6	L655 A663 M707 E749 R752 F756	L655-P659 WeakPolarHBondContact O-CD 3.09Å; L655-P659 WeakPolarHBondContact O-CG 3.43Å; P659-A663 WeakPolarHBondContact O-CB 3.22Å; P659-A663 PolarHBondContact O-N 3.41Å; P659-M707 HydrophobicContact CG-CE 4.4Å; P659-E749 HydrophobicContact CG-CB 4Å; P659-E749 HydrophobicContact CG-CG 4.41Å; P659-E749 WeakPolarHBondContact CG-OE2 3.31Å; P659-R752 HydrophobicContact CB-CB 4.38Å; P659-F756 HydrophobicContact CB-CE2 4.35Å; P659-F756 WeakPolarHBondContact O-CD2 3.17Å
660	N	85.2	Confident	80.4	Confident	43 Å²	43	41.9 Å²	41.9	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-40.7	178.4	-169.8	34.5	0	0	0	112.3	L656 E657 I658 A663 H664 I673	L656-N660 WeakPolarHBondContact O-CB 3.36Å; E657-N660 CarbonylContact O-C 3.36Å; E657-N660 WeakPolarHBondContact O-CB 3.42Å; E657-N660 PolarHBondContact O-N 2.81Å; I658-N660 PolarHBondContact O-N 2.64Å; N660-A663 PolarHBondContact O-N 3.44Å; N660-H664 PolarHBondContact O-CD2 2.96Å; N660-H664 PolarHBondContact O-N 3.15Å; N660-H664 PolarHBondContact OD1-CD2 2.85Å; N660-I673 HydrophobicContact CB-CD1 4.35Å
661	L	83.9	Confident	79.4	Confident	39 Å²	39	51.4 Å²	51.4	20%	0.204	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-40.7	175.6	-173.3	154.6	0	0	0	110.9	E657 I658 H664 E665 W670 L681	E657-L661 VanDerWaalsContact O-CB 3.24Å; E657-L661 WeakPolarHBondContact O-CB 3.29Å; E657-L661 PolarHBondContact O-N 2.85Å; I658-L661 PolarHBondContact O-N 3.22Å; L661-H664 PolarHBondContact O-N 3.24Å; L661-E665 PolarHBondContact O-N 3.34Å; L661-E665 VanDerWaalsContact O-N 3.14Å; L661-W670 HydrophobicContact CD1-CZ2 4.28Å; L661-L681 HydrophobicContact CD1-CD2 4.47Å
662	A	82.3	Confident	78.7	Confident	6 Å²	6	53.6 Å²	53.6	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-39.1	175.8	0	0	0	0	0	112.3	I658 F756 T757	I658-A662 WeakPolarHBondContact O-CB 3.32Å; I658-A662 PolarHBondContact O-N 3.28Å; A662-F756 HydrophobicContact CB-CB 3.89Å; A662-F756 HydrophobicContact CB-CD2 4.35Å; A662-T757 HydrophobicContact CB-CG2 4.06Å
663	A	80.6	Confident	78.1	Confident	34 Å²	34	57.6 Å²	57.6	28%	0.281	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-34.5	178.1	0	0	0	0	0	113.1	P659 N660 F756	P659-A663 WeakPolarHBondContact O-CB 3.22Å; P659-A663 PolarHBondContact O-N 3.41Å; N660-A663 PolarHBondContact O-N 3.44Å; A663-F756 HydrophobicContact CB-CD1 3.98Å; A663-F756 HydrophobicContact CB-CD2 3.94Å; A663-F756 HydrophobicContact CB-CE1 3.99Å; A663-F756 HydrophobicContact CB-CE2 3.95Å; A663-F756 HydrophobicContact CB-CG 3.97Å; A663-F756 HydrophobicContact CB-CZ 3.97Å
664	H	75.5	Confident	77.6	Confident	74 Å²	74	57.6 Å²	57.6	34%	0.343	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	22.7	-173.5	-69.4	-68.2	0	0	0	114.2	N660 L661 T666 D667 W670	N660-H664 PolarHBondContact O-CD2 2.96Å; N660-H664 PolarHBondContact O-N 3.15Å; N660-H664 PolarHBondContact OD1-CD2 2.85Å; L661-H664 PolarHBondContact O-N 3.24Å; H664-T666 PolarHBondContact O-N 2.97Å; H664-D667 HydrophobicContact CB-CB 4.24Å; H664-D667 IonicContact CE1-OD2 2.58Å; H664-D667 IonicContact ND1-OD2 2.95Å; H664-D667 PolarHBondContact ND1-OD2 3.28Å; H664-D667 PolarHBondContact O-N 3.05Å; H664-W670 HydrophobicContact CB-CB 4.15Å; H664-W670 HydrophobicContact CB-CG 4.31Å
665	E	68.6	Low	77.2	Confident	148 Å²	148	65.7 Å²	65.7	69%	0.692	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.8	-178.5	-171	172	-175.3	0	0	112.4	L661	L661-E665 PolarHBondContact O-N 3.34Å; L661-E665 VanDerWaalsContact O-N 3.14Å
666	T	59.3	Low	76.8	Confident	84 Å²	84	67.6 Å²	67.6	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.6	178.3	58.4	0	0	0	0	115.1	H664 Q821	H664-T666 PolarHBondContact O-N 2.97Å; T666-Q821 PolarHBondContact O-NE2 2.87Å
667	D	63.7	Low	76.7	Confident	59 Å²	59	66.2 Å²	66.2	32%	0.316	32%	0.318	S	S	.	.			trans	-102.5	115.5	-172.3	-71.6	-19.1	0	0	0	111.5	H664 R669 W670	H664-D667 HydrophobicContact CB-CB 4.24Å; H664-D667 IonicContact CE1-OD2 2.58Å; H664-D667 IonicContact ND1-OD2 2.95Å; H664-D667 PolarHBondContact ND1-OD2 3.28Å; H664-D667 PolarHBondContact O-N 3.05Å; D667-R669 PolarHBondContact O-N 3.43Å; D667-R669 VanDerWaalsContact O-N 3.16Å; D667-W670 WeakPolarHBondContact O-CB 3.46Å; D667-W670 PolarHBondContact O-N 3.38Å
668	L	58.4	Low	76.6	Confident	109 Å²	109	67.9 Å²	67.9	57%	0.571	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.2	174.2	-89.4	83.5	0	0	0	113.5	W670 Q821	L668-W670 PolarHBondContact O-N 2.97Å; L668-Q821 HydrophobicContact CD1-CB 4.44Å; L668-Q821 HydrophobicContact CD1-CG 3.74Å; L668-Q821 VanDerWaalsContact CD1-OE1 3.26Å
669	R	59.4	Low	76.5	Confident	171 Å²	171	72.3 Å²	72.3	65%	0.645	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.1	179	-69.4	-172.8	-175.2	-130.3	3.6	113.2	D667 R671 D824	D667-R669 PolarHBondContact O-N 3.43Å; D667-R669 VanDerWaalsContact O-N 3.16Å; R669-R671 PolarHBondContact O-N 3.45Å; R669-D824 IonicContact CZ-OD1 2.94Å; R669-D824 IonicContact CZ-OD2 3.66Å; R669-D824 IonicContact NE-OD1 2.72Å; R669-D824 IonicContact NE-OD2 3.76Å; R669-D824 PolarHBondContact NE-OD2 3.19Å; R669-D824 IonicContact NH2-OD1 2.89Å; R669-D824 PolarHBondContact NH2-OD1 3.04Å; R669-D824 IonicContact NH2-OD2 3.62Å; R669-D824 PolarHBondContact NH2-OD2 2.92Å
670	W	64.9	Low	76.5	Confident	56 Å²	56	72.6 Å²	72.6	21%	0.212	35%	0.351	C	S	.	.			trans	-55.2	125.8	178.1	175	78.8	0	0	0	111.2	E657 L661 H664 D667 L668 P672 H678	E657-W670 HydrophobicContact CG-CZ2 4.35Å; E657-W670 WeakPolarHBondContact OE1-CZ2 3.26Å; L661-W670 HydrophobicContact CD1-CZ2 4.28Å; H664-W670 HydrophobicContact CB-CB 4.15Å; H664-W670 HydrophobicContact CB-CG 4.31Å; D667-W670 WeakPolarHBondContact O-CB 3.46Å; D667-W670 PolarHBondContact O-N 3.38Å; L668-W670 PolarHBondContact O-N 2.97Å; W670-P672 HydrophobicContact CH2-CB 3.58Å; W670-P672 HydrophobicContact CH2-CG 4.33Å; W670-P672 HydrophobicContact CZ2-CB 3.98Å; W670-P672 HydrophobicContact CZ3-CB 4.07Å; W670-P672 HydrophobicContact CZ3-CG 4.34Å; W670-H678 AromaticContact CH2-CD2 3.41Å; W670-H678 VanDerWaalsContact CH2-CD2 3.41Å; W670-H678 WeakPolarHBondContact CH2-CD2 3.4Å; W670-H678 AromaticContact CH2-CE1 3.87Å; W670-H678 AromaticContact CH2-CG 3.83Å; W670-H678 AromaticContact CH2-NE2 3.46Å; W670-H678 WeakPolarHBondContact CH2-NE2 3.49Å; W670-H678 AromaticContact CZ3-CE1 3.72Å; W670-H678 AromaticContact CZ3-NE2 3.58Å
671	R	70.6	Confident	76.6	Confident	209 Å²	209	71.5 Å²	71.5	79%	0.789	35%	0.346	S	S	*	.			trans	-108.5	123.2	175	-67.6	-177.6	-176.9	-113.3	-0.1	108.1	R669 I673	R669-R671 PolarHBondContact O-N 3.45Å; R671-I673 PolarHBondContact O-N 2.88Å
672	P	77.5	Confident	76.7	Confident	45 Å²	45	75.3 Å²	75.3	29%	0.292	36%	0.357	S	S	.	.			trans	-63.3	132.1	175.8	24.4	-31.6	0	0	0	109.7	E657 W670 S674 H678	E657-P672 WeakPolarHBondContact OE1-CA 3.29Å; E657-P672 VanDerWaalsContact OE1-CB 3.28Å; E657-P672 WeakPolarHBondContact OE1-CB 3.34Å; W670-P672 HydrophobicContact CH2-CB 3.58Å; W670-P672 HydrophobicContact CH2-CG 4.33Å; W670-P672 HydrophobicContact CZ2-CB 3.98Å; W670-P672 HydrophobicContact CZ3-CB 4.07Å; W670-P672 HydrophobicContact CZ3-CG 4.34Å; P672-S674 VanDerWaalsContact C-N 3.34Å; P672-H678 HydrophobicContact CB-CB 4.19Å
673	I	79.6	Confident	77	Confident	85 Å²	85	78.6 Å²	78.6	44%	0.436	38%	0.377	S	S	.	.	S	Bend	trans	-68.5	-43	174.2	-57.8	168.4	0	0	0	108.2	L656 E657 N660 R671	L656-I673 HydrophobicContact CB-CD1 4.11Å; E657-I673 PolarHBondContact OE1-N 3.42Å; E657-I673 WeakPolarHBondContact OE2-CB 3.42Å; E657-I673 WeakPolarHBondContact OE2-CD1 3.23Å; E657-I673 WeakPolarHBondContact OE2-CG1 3.24Å; E657-I673 PolarHBondContact OE2-N 3.09Å; N660-I673 HydrophobicContact CB-CD1 4.35Å; R671-I673 PolarHBondContact O-N 2.88Å
674	S	82	Confident	77.3	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.014	37%	0.367	C	S	.	.			trans	-118.6	106.9	179.5	175.3	0	0	0	0	111.1	Y649 P672 P676 F677 H678	Y649-S674 PolarHBondContact OH-OG 3.4Å; P672-S674 VanDerWaalsContact C-N 3.34Å; S674-P676 WeakPolarHBondContact OG-CD 3.46Å; S674-F677 VanDerWaalsContact OG-CB 3.27Å; S674-F677 WeakPolarHBondContact OG-CB 3.39Å; S674-F677 PolarHBondContact OG-N 3.5Å; S674-H678 WeakPolarHBondContact O-CB 3.41Å; S674-H678 PolarHBondContact O-N 3.39Å; S674-H678 VanDerWaalsContact O-N 3.09Å
675	K	83.8	Confident	77.8	Confident	170 Å²	170	78.3 Å²	78.3	74%	0.739	37%	0.372	S	S	*	.	H	α-helix	trans	-59	-45.1	171.3	-63.3	179.1	-178.4	174.4	0	112.5	H678 L679	K675-H678 PolarHBondContact O-N 3.03Å; K675-L679 WeakPolarHBondContact O-CB 3.27Å; K675-L679 PolarHBondContact O-N 3.42Å
676	P	85.5	Confident	78.8	Confident	41 Å²	41	80.2 Å²	80.2	27%	0.266	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-43.9	-179.5	-23.6	34.3	0	0	0	113.3	Y649 S674 L679 A680	Y649-P676 HydrophobicContact CE1-CB 4.27Å; S674-P676 WeakPolarHBondContact OG-CD 3.46Å; P676-L679 PolarHBondContact O-N 2.94Å; P676-A680 WeakPolarHBondContact O-CB 3.33Å; P676-A680 PolarHBondContact O-N 3.13Å
677	F	87.9	Confident	80.1	Confident	1 Å²	1	78.5 Å²	78.5	0%	0.004	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-45.1	178.2	176.6	-99.3	0	0	0	111.5	L650 A653 M654 E657 S674 L679 A680 L681 V700 L701 A704	L650-F677 HydrophobicContact CD2-CB 4.39Å; L650-F677 HydrophobicContact CD2-CD2 3.88Å; A653-F677 HydrophobicContact CB-CB 3.78Å; A653-F677 HydrophobicContact CB-CD1 4.44Å; A653-F677 HydrophobicContact CB-CD2 4.1Å; A653-F677 HydrophobicContact CB-CG 3.86Å; M654-F677 HydrophobicContact CB-CE2 3.99Å; M654-F677 HydrophobicContact CB-CZ 4Å; M654-F677 HydrophobicContact CG-CZ 4.24Å; E657-F677 HydrophobicContact CB-CD1 4.05Å; E657-F677 HydrophobicContact CB-CE1 4.02Å; E657-F677 HydrophobicContact CG-CD1 4.04Å; E657-F677 HydrophobicContact CG-CE1 4.17Å; S674-F677 VanDerWaalsContact OG-CB 3.27Å; S674-F677 WeakPolarHBondContact OG-CB 3.39Å; S674-F677 PolarHBondContact OG-N 3.5Å; F677-L679 PolarHBondContact O-N 2.92Å; F677-A680 WeakPolarHBondContact O-CB 3.42Å; F677-A680 PolarHBondContact O-N 3.23Å; F677-L681 PolarHBondContact O-N 2.97Å; F677-V700 HydrophobicContact CE2-CG1 4.45Å; F677-L701 HydrophobicContact CE2-CD2 4.25Å; F677-A704 HydrophobicContact CZ-CB 3.99Å
678	H	85.2	Confident	81.2	Confident	37 Å²	37	81.1 Å²	81.1	17%	0.171	40%	0.397	C	S	.	.	H	α-helix	trans	-64.5	-38.8	179.1	-178.2	-117.1	0	0	0	112.6	W670 P672 S674 K675 L681 R682	W670-H678 AromaticContact CH2-CD2 3.41Å; W670-H678 VanDerWaalsContact CH2-CD2 3.41Å; W670-H678 WeakPolarHBondContact CH2-CD2 3.4Å; W670-H678 AromaticContact CH2-CE1 3.87Å; W670-H678 AromaticContact CH2-CG 3.83Å; W670-H678 AromaticContact CH2-NE2 3.46Å; W670-H678 WeakPolarHBondContact CH2-NE2 3.49Å; W670-H678 AromaticContact CZ3-CE1 3.72Å; W670-H678 AromaticContact CZ3-NE2 3.58Å; P672-H678 HydrophobicContact CB-CB 4.19Å; S674-H678 WeakPolarHBondContact O-CB 3.41Å; S674-H678 PolarHBondContact O-N 3.39Å; S674-H678 VanDerWaalsContact O-N 3.09Å; K675-H678 PolarHBondContact O-N 3.03Å; H678-L681 PolarHBondContact O-N 3.44Å; H678-R682 PolarHBondContact CE1-NH2 3.21Å; H678-R682 WeakPolarHBondContact O-CB 3.24Å; H678-R682 PolarHBondContact O-N 3.21Å
679	L	86.2	Confident	82.5	Confident	102 Å²	102	83.4 Å²	83.4	53%	0.534	41%	0.409	S	S	.	.	H	α-helix	trans	-61.8	-45.4	172.4	-178.7	64.7	0	0	0	111	K675 P676 F677 L681 R682 V683	K675-L679 WeakPolarHBondContact O-CB 3.27Å; K675-L679 PolarHBondContact O-N 3.42Å; P676-L679 PolarHBondContact O-N 2.94Å; F677-L679 PolarHBondContact O-N 2.92Å; L679-L681 VanDerWaalsContact C-N 3.32Å; L679-L681 PolarHBondContact O-N 3.48Å; L679-R682 PolarHBondContact O-N 3.33Å; L679-V683 HydrophobicContact CD1-CG2 4.46Å; L679-V683 VanDerWaalsContact O-CG2 3.31Å; L679-V683 WeakPolarHBondContact O-CG2 3.09Å; L679-V683 PolarHBondContact O-N 3.09Å
680	A	87	Confident	83.6	Confident	9 Å²	9	78.7 Å²	78.7	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-40.4	177.6	0	0	0	0	0	112.2	P676 F677 V683 H684 L701	P676-A680 WeakPolarHBondContact O-CB 3.33Å; P676-A680 PolarHBondContact O-N 3.13Å; F677-A680 WeakPolarHBondContact O-CB 3.42Å; F677-A680 PolarHBondContact O-N 3.23Å; A680-V683 PolarHBondContact O-N 2.72Å; A680-H684 WeakPolarHBondContact O-CB 3.32Å; A680-H684 PolarHBondContact O-N 3.03Å; A680-L701 HydrophobicContact CB-CD1 4.24Å; A680-L701 HydrophobicContact CB-CD2 4.17Å
681	L	86.6	Confident	84.6	Confident	21 Å²	21	78.2 Å²	78.2	11%	0.11	41%	0.412	C	S	.	.	H	α-helix	trans	-63.9	-46.1	174.9	-174.8	64	0	0	0	111.8	L661 F677 H678 L679 V683 H684 D685 L701	L661-L681 HydrophobicContact CD1-CD2 4.47Å; F677-L681 PolarHBondContact O-N 2.97Å; H678-L681 PolarHBondContact O-N 3.44Å; L679-L681 VanDerWaalsContact C-N 3.32Å; L679-L681 PolarHBondContact O-N 3.48Å; L681-V683 PolarHBondContact O-N 3.48Å; L681-H684 PolarHBondContact O-N 3.26Å; L681-D685 PolarHBondContact O-N 3.26Å; L681-L701 HydrophobicContact CB-CD2 4.29Å; L681-L701 HydrophobicContact CD1-CD2 4.38Å
682	R	86.8	Confident	85.2	Confident	118 Å²	118	73.4 Å²	73.4	45%	0.445	41%	0.408	S	S	.	.	H	α-helix	trans	-61.3	-42.6	177.5	-174.8	-174.4	-65.6	170.1	-6.5	112.2	H678 L679 H684 D685 R686	H678-R682 PolarHBondContact CE1-NH2 3.21Å; H678-R682 WeakPolarHBondContact O-CB 3.24Å; H678-R682 PolarHBondContact O-N 3.21Å; L679-R682 PolarHBondContact O-N 3.33Å; R682-H684 VanDerWaalsContact C-N 3.32Å; R682-D685 PolarHBondContact O-N 3.29Å; R682-R686 WeakPolarHBondContact O-CG 3.34Å; R682-R686 PolarHBondContact O-N 2.93Å
683	V	88.6	Confident	85.6	Confident	76 Å²	76	72.3 Å²	72.3	46%	0.461	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.5	170.6	0	0	0	0	110.5	L679 A680 L681 D685 R686 A687	L679-V683 HydrophobicContact CD1-CG2 4.46Å; L679-V683 VanDerWaalsContact O-CG2 3.31Å; L679-V683 WeakPolarHBondContact O-CG2 3.09Å; L679-V683 PolarHBondContact O-N 3.09Å; A680-V683 PolarHBondContact O-N 2.72Å; L681-V683 PolarHBondContact O-N 3.48Å; V683-D685 VanDerWaalsContact C-N 3.34Å; V683-D685 PolarHBondContact O-N 3.19Å; V683-R686 PolarHBondContact O-N 3.28Å; V683-A687 PolarHBondContact O-N 3.47Å; V683-A687 VanDerWaalsContact O-N 3.13Å
684	H	87.2	Confident	85.9	Confident	19 Å²	19	73 Å²	73	9%	0.088	40%	0.402	C	S	.	.	H	α-helix	trans	-70.1	-27	177.8	179.4	-101.8	0	0	0	113.6	A680 L681 R682 V690 L701 K705	A680-H684 WeakPolarHBondContact O-CB 3.32Å; A680-H684 PolarHBondContact O-N 3.03Å; L681-H684 PolarHBondContact O-N 3.26Å; R682-H684 VanDerWaalsContact C-N 3.32Å; H684-V690 VanDerWaalsContact NE2-CG1 3.25Å; H684-V690 WeakPolarHBondContact NE2-CG1 3.26Å; H684-L701 HydrophobicContact CB-CD1 3.89Å; H684-K705 VanDerWaalsContact CE1-CE 3.45Å; H684-K705 WeakPolarHBondContact CE1-CE 3.37Å; H684-K705 PolarHBondContact CE1-NZ 2.78Å; H684-K705 VanDerWaalsContact CE1-NZ 3.3Å; H684-K705 WeakPolarHBondContact ND1-CE 3.39Å; H684-K705 PolarHBondContact ND1-NZ 3.23Å
685	D	85.8	Confident	86.2	Confident	82 Å²	82	75.9 Å²	75.9	44%	0.439	42%	0.419	S	S	.	.	H	α-helix	trans	-77.3	-31.1	172	-79.8	-14.5	0	0	0	113.4	L681 R682 V683 A687 K705	L681-D685 PolarHBondContact O-N 3.26Å; R682-D685 PolarHBondContact O-N 3.29Å; V683-D685 VanDerWaalsContact C-N 3.34Å; V683-D685 PolarHBondContact O-N 3.19Å; D685-A687 VanDerWaalsContact C-N 3.33Å; D685-K705 WeakPolarHBondContact OD1-CE 3.19Å; D685-K705 IonicContact OD1-NZ 3.85Å; D685-K705 PolarHBondContact OD1-NZ 3.45Å
686	R	89	Confident	86.3	Confident	189 Å²	189	68.8 Å²	68.8	71%	0.713	39%	0.391	S	S	*	.	H	α-helix	trans	-76.5	-19.2	174.9	-73.9	179.4	173.6	-169.9	-6.1	113.3	R682 V683 A688	R682-R686 WeakPolarHBondContact O-CG 3.34Å; R682-R686 PolarHBondContact O-N 2.93Å; V683-R686 PolarHBondContact O-N 3.28Å; R686-A688 PolarHBondContact O-N 3.38Å
687	A	87.5	Confident	86.4	Confident	47 Å²	47	71.5 Å²	71.5	39%	0.388	40%	0.395	S	S	.	.			trans	-63.7	116.9	179	0	0	0	0	0	110.8	V683 D685 L689 V690	V683-A687 PolarHBondContact O-N 3.47Å; V683-A687 VanDerWaalsContact O-N 3.13Å; D685-A687 VanDerWaalsContact C-N 3.33Å; A687-L689 VanDerWaalsContact C-N 3.25Å; A687-L689 PolarHBondContact O-N 3.27Å; A687-V690 HydrophobicContact CB-CG2 4.26Å
688	A	84.9	Confident	86.5	Confident	115 Å²	115	73.8 Å²	73.8	95%	0.95	41%	0.408	S	S	*	.	S	Bend	trans	-63	-30.7	-178.2	0	0	0	0	0	113.3	R686	R686-A688 PolarHBondContact O-N 3.38Å
689	L	86.3	Confident	86.7	Confident	157 Å²	157	72.2 Å²	72.2	82%	0.822	40%	0.4	S	S	*	.			trans	-125.1	105.7	175.9	-177.8	67.2	0	0	0	109.6	A687	A687-L689 VanDerWaalsContact C-N 3.25Å; A687-L689 PolarHBondContact O-N 3.27Å
690	V	83.1	Confident	87	Confident	72 Å²	72	67.3 Å²	67.3	44%	0.436	38%	0.375	S	S	.	.			trans	-92.1	104.7	170.6	178.6	0	0	0	0	108	H684 A687	H684-V690 VanDerWaalsContact NE2-CG1 3.25Å; H684-V690 WeakPolarHBondContact NE2-CG1 3.26Å; A687-V690 HydrophobicContact CB-CG2 4.26Å
691	G	84.7	Confident	87.2	Confident	46 Å²	46	67 Å²	67	47%	0.474	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-71.5	172.1	172.5	0	0	0	0	0	112.6
692	P	84.9	Confident	87.3	Confident	108 Å²	108	66.7 Å²	66.7	70%	0.701	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-59.4	143.8	168.4	27.2	-33.4	0	0	0	110.1	E694	P692-E694 PolarHBondContact O-N 2.99Å
693	P	85.6	Confident	87.6	Confident	21 Å²	21	61.1 Å²	61.1	14%	0.136	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-68.4	131.4	-173.4	28	-34.9	0	0	0	111.5	D698 H699 A702 F718	P693-D698 HydrophobicContact CB-CB 3.98Å; P693-H699 HydrophobicContact CB-CB 4.33Å; P693-H699 PolarHBondContact O-CE1 3.11Å; P693-H699 PolarHBondContact O-NE2 2.64Å; P693-A702 HydrophobicContact CB-CB 4.44Å; P693-A702 HydrophobicContact CG-CB 4.32Å; P693-F718 HydrophobicContact CG-CD1 3.92Å; P693-F718 HydrophobicContact CG-CE1 4.09Å
694	E	85.2	Confident	87.8	Confident	101 Å²	101	57.7 Å²	57.7	47%	0.472	33%	0.331	S	S	.	.			trans	-121.2	-38.6	178.5	-72.4	-64.3	157.6	0	0	112.2	P692 K723 K727	P692-E694 PolarHBondContact O-N 2.99Å; E694-K723 IonicContact OE1-NZ 3.24Å; E694-K723 PolarHBondContact OE1-NZ 3.47Å; E694-K723 IonicContact OE2-NZ 2.94Å; E694-K723 PolarHBondContact OE2-NZ 3.01Å; E694-K727 PolarHBondContact O-NZ 3.41Å
695	T	87.4	Confident	87.8	Confident	62 Å²	62	59.3 Å²	59.3	38%	0.38	34%	0.338	S	S	.	.	S	Bend	trans	-83.9	151.6	175.5	76.2	0	0	0	0	110.4	R697 D698 H699	T695-R697 PolarHBondContact O-N 3.03Å; T695-D698 WeakPolarHBondContact CG2-OD2 3.25Å; T695-D698 PolarHBondContact O-N 3.27Å; T695-D698 VanDerWaalsContact O-N 3.15Å; T695-D698 WeakPolarHBondContact OG1-CB 3.5Å; T695-D698 PolarHBondContact OG1-N 3.48Å; T695-D698 VanDerWaalsContact OG1-N 3.09Å; T695-D698 PolarHBondContact OG1-OD2 3.42Å; T695-H699 PolarHBondContact O-N 3.33Å; T695-H699 VanDerWaalsContact O-N 3.07Å; T695-H699 PolarHBondContact O-ND1 3.45Å
696	P	86	Confident	88	Confident	21 Å²	21	56 Å²	56	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-35.5	178.3	25	-34.4	0	0	0	112.2	H699 V700 M724 I728	P696-H699 PolarHBondContact O-N 2.98Å; P696-V700 WeakPolarHBondContact O-CG2 3.13Å; P696-V700 PolarHBondContact O-N 3.37Å; P696-V700 VanDerWaalsContact O-N 3.15Å; P696-M724 HydrophobicContact CB-CE 4.13Å; P696-M724 HydrophobicContact CB-SD 3.82Å; P696-I728 HydrophobicContact CB-CD1 3.45Å; P696-I728 VanDerWaalsContact CB-CD1 3.45Å; P696-I728 HydrophobicContact CG-CD1 4.38Å
697	R	87.9	Confident	88.2	Confident	97 Å²	97	47 Å²	47	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-46.8	173.2	179.1	177.8	134.3	176.9	-2.9	112	L650 T695 H699 V700 L701	L650-R697 HydrophobicContact CD1-CB 4.07Å; L650-R697 HydrophobicContact CD1-CG 3.87Å; T695-R697 PolarHBondContact O-N 3.03Å; R697-H699 VanDerWaalsContact C-N 3.31Å; R697-H699 PolarHBondContact O-N 3.49Å; R697-V700 PolarHBondContact O-N 3.4Å; R697-L701 HydrophobicContact CG-CD1 3.99Å; R697-L701 HydrophobicContact CG-CG 4.48Å; R697-L701 WeakPolarHBondContact O-CG 3.48Å; R697-L701 PolarHBondContact O-N 3.3Å
698	D	89.7	Confident	88.1	Confident	50 Å²	50	48.7 Å²	48.7	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-35.1	179.6	-60.5	-32.7	0	0	0	112.1	P693 T695 V700 L701 A702	P693-D698 HydrophobicContact CB-CB 3.98Å; T695-D698 WeakPolarHBondContact CG2-OD2 3.25Å; T695-D698 PolarHBondContact O-N 3.27Å; T695-D698 VanDerWaalsContact O-N 3.15Å; T695-D698 WeakPolarHBondContact OG1-CB 3.5Å; T695-D698 PolarHBondContact OG1-N 3.48Å; T695-D698 VanDerWaalsContact OG1-N 3.09Å; T695-D698 PolarHBondContact OG1-OD2 3.42Å; D698-V700 VanDerWaalsContact C-N 3.35Å; D698-V700 PolarHBondContact O-N 3.45Å; D698-L701 PolarHBondContact O-N 3.33Å; D698-A702 VanDerWaalsContact O-CB 3.3Å; D698-A702 WeakPolarHBondContact O-CB 3.46Å; D698-A702 PolarHBondContact O-N 2.9Å
699	H	91.1	Very high	88.1	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-45.2	173.6	-76.4	83.3	0	0	0	111.4	P693 T695 P696 R697 A702 A703 F718 M724	P693-H699 HydrophobicContact CB-CB 4.33Å; P693-H699 PolarHBondContact O-CE1 3.11Å; P693-H699 PolarHBondContact O-NE2 2.64Å; T695-H699 PolarHBondContact O-N 3.33Å; T695-H699 VanDerWaalsContact O-N 3.07Å; T695-H699 PolarHBondContact O-ND1 3.45Å; P696-H699 PolarHBondContact O-N 2.98Å; R697-H699 VanDerWaalsContact C-N 3.31Å; R697-H699 PolarHBondContact O-N 3.49Å; H699-A702 PolarHBondContact O-N 3.31Å; H699-A703 VanDerWaalsContact O-CB 3.27Å; H699-A703 WeakPolarHBondContact O-CB 3.42Å; H699-A703 PolarHBondContact O-N 2.76Å; H699-F718 PolarHBondContact CD2-O 3.03Å; H699-F718 VanDerWaalsContact CD2-O 3.26Å; H699-M724 HydrophobicContact CB-CE 4.36Å; H699-M724 HydrophobicContact CB-CG 4.14Å; H699-M724 HydrophobicContact CB-SD 3.82Å
700	V	92	Very high	88	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-38.2	177.9	-179.3	0	0	0	0	111.5	L650 V651 M654 F677 P696 R697 D698 A703 A704	L650-V700 HydrophobicContact CB-CB 4.38Å; L650-V700 HydrophobicContact CB-CG1 3.89Å; L650-V700 HydrophobicContact CB-CG2 4.49Å; V651-V700 HydrophobicContact CG2-CG1 4.29Å; V651-V700 HydrophobicContact CG2-CG2 3.71Å; M654-V700 HydrophobicContact CB-CG1 4.19Å; M654-V700 HydrophobicContact CG-CG1 4.48Å; M654-V700 HydrophobicContact SD-CG1 4.11Å; F677-V700 HydrophobicContact CE2-CG1 4.45Å; P696-V700 WeakPolarHBondContact O-CG2 3.13Å; P696-V700 PolarHBondContact O-N 3.37Å; P696-V700 VanDerWaalsContact O-N 3.15Å; R697-V700 PolarHBondContact O-N 3.4Å; D698-V700 VanDerWaalsContact C-N 3.35Å; D698-V700 PolarHBondContact O-N 3.45Å; V700-A703 WeakPolarHBondContact O-CB 3.33Å; V700-A703 PolarHBondContact O-N 3.3Å; V700-A704 WeakPolarHBondContact O-CB 3.4Å; V700-A704 PolarHBondContact O-N 3.32Å
701	L	90.7	Very high	88.3	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-36.9	177.5	-66.3	173.6	0	0	0	112.7	F677 A680 L681 H684 R697 D698 A704 K705	F677-L701 HydrophobicContact CE2-CD2 4.25Å; A680-L701 HydrophobicContact CB-CD1 4.24Å; A680-L701 HydrophobicContact CB-CD2 4.17Å; L681-L701 HydrophobicContact CB-CD2 4.29Å; L681-L701 HydrophobicContact CD1-CD2 4.38Å; H684-L701 HydrophobicContact CB-CD1 3.89Å; R697-L701 HydrophobicContact CG-CD1 3.99Å; R697-L701 HydrophobicContact CG-CG 4.48Å; R697-L701 WeakPolarHBondContact O-CG 3.48Å; R697-L701 PolarHBondContact O-N 3.3Å; D698-L701 PolarHBondContact O-N 3.33Å; L701-A704 WeakPolarHBondContact O-CB 3.37Å; L701-A704 PolarHBondContact O-N 2.98Å; L701-K705 PolarHBondContact O-N 2.87Å
702	A	89.8	Confident	88.7	Confident	16 Å²	16	41.9 Å²	41.9	13%	0.132	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-42	171.8	0	0	0	0	0	111.5	P693 D698 H699 A704 K705 A706 F718	P693-A702 HydrophobicContact CB-CB 4.44Å; P693-A702 HydrophobicContact CG-CB 4.32Å; D698-A702 VanDerWaalsContact O-CB 3.3Å; D698-A702 WeakPolarHBondContact O-CB 3.46Å; D698-A702 PolarHBondContact O-N 2.9Å; H699-A702 PolarHBondContact O-N 3.31Å; A702-A704 VanDerWaalsContact C-N 3.29Å; A702-A704 PolarHBondContact O-N 3.28Å; A702-K705 PolarHBondContact O-N 3.49Å; A702-A706 PolarHBondContact O-N 3.38Å; A702-A706 VanDerWaalsContact O-N 3.14Å; A702-F718 HydrophobicContact CB-CD1 4.34Å; A702-F718 HydrophobicContact CB-CD2 4.34Å; A702-F718 HydrophobicContact CB-CE1 4.44Å; A702-F718 HydrophobicContact CB-CE2 4.43Å; A702-F718 HydrophobicContact CB-CG 4.31Å; A702-F718 HydrophobicContact CB-CZ 4.48Å
703	A	92.7	Very high	89.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-41.1	172.3	0	0	0	0	0	111.6	M654 H699 V700 K705 A706 M707 F718 I719	M654-A703 HydrophobicContact SD-CB 3.9Å; H699-A703 VanDerWaalsContact O-CB 3.27Å; H699-A703 WeakPolarHBondContact O-CB 3.42Å; H699-A703 PolarHBondContact O-N 2.76Å; V700-A703 WeakPolarHBondContact O-CB 3.33Å; V700-A703 PolarHBondContact O-N 3.3Å; A703-K705 PolarHBondContact O-N 3.48Å; A703-A706 PolarHBondContact O-N 2.84Å; A703-M707 WeakPolarHBondContact O-CB 3.42Å; A703-M707 PolarHBondContact O-N 3.09Å; A703-F718 HydrophobicContact CB-CB 3.9Å; A703-I719 HydrophobicContact CB-CD1 3.9Å; A703-I719 HydrophobicContact CB-CG1 3.75Å
704	A	91.8	Very high	89.3	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-44.3	177.3	0	0	0	0	0	112.4	M654 I658 F677 V700 L701 A702 A706 M707 R708	M654-A704 HydrophobicContact CG-CB 3.97Å; M654-A704 HydrophobicContact SD-CB 4.37Å; I658-A704 HydrophobicContact CD1-CB 3.54Å; I658-A704 WeakPolarHBondContact CD1-O 3.42Å; I658-A704 HydrophobicContact CG1-CB 4.45Å; F677-A704 HydrophobicContact CZ-CB 3.99Å; V700-A704 WeakPolarHBondContact O-CB 3.4Å; V700-A704 PolarHBondContact O-N 3.32Å; L701-A704 WeakPolarHBondContact O-CB 3.37Å; L701-A704 PolarHBondContact O-N 2.98Å; A702-A704 VanDerWaalsContact C-N 3.29Å; A702-A704 PolarHBondContact O-N 3.28Å; A704-A706 PolarHBondContact O-N 3.13Å; A704-M707 PolarHBondContact O-N 3.34Å; A704-R708 PolarHBondContact O-N 3.34Å
705	K	88.4	Confident	89.6	Confident	54 Å²	54	36.9 Å²	36.9	24%	0.235	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-43.6	174.9	-72.2	-176.6	173.8	-178.6	0	112.1	H684 D685 L701 A702 A703 M707 R708 Y709	H684-K705 VanDerWaalsContact CE1-CE 3.45Å; H684-K705 WeakPolarHBondContact CE1-CE 3.37Å; H684-K705 PolarHBondContact CE1-NZ 2.78Å; H684-K705 VanDerWaalsContact CE1-NZ 3.3Å; H684-K705 WeakPolarHBondContact ND1-CE 3.39Å; H684-K705 PolarHBondContact ND1-NZ 3.23Å; D685-K705 WeakPolarHBondContact OD1-CE 3.19Å; D685-K705 IonicContact OD1-NZ 3.85Å; D685-K705 PolarHBondContact OD1-NZ 3.45Å; L701-K705 PolarHBondContact O-N 2.87Å; A702-K705 PolarHBondContact O-N 3.49Å; A703-K705 PolarHBondContact O-N 3.48Å; K705-M707 VanDerWaalsContact C-N 3.35Å; K705-R708 PolarHBondContact O-N 3.32Å; K705-Y709 WeakPolarHBondContact O-CD2 3.47Å
706	A	89.9	Confident	89.8	Confident	13 Å²	13	34.4 Å²	34.4	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-39.8	177.9	0	0	0	0	0	112.3	A702 A703 A704 Y709 N711 A714 C715 F718	A702-A706 PolarHBondContact O-N 3.38Å; A702-A706 VanDerWaalsContact O-N 3.14Å; A703-A706 PolarHBondContact O-N 2.84Å; A704-A706 PolarHBondContact O-N 3.13Å; A706-Y709 PolarHBondContact O-N 3.37Å; A706-N711 PolarHBondContact O-N 2.93Å; A706-N711 VanDerWaalsContact O-N 3.11Å; A706-A714 HydrophobicContact CB-CB 3.86Å; A706-C715 HydrophobicContact CB-CB 4.41Å; A706-F718 HydrophobicContact CB-CD2 4.4Å; A706-F718 HydrophobicContact CB-CE2 4.31Å
707	M	91.6	Very high	90	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-34.4	179.6	-173.1	173.7	172.9	0	0	112.5	M654 L655 I658 P659 A703 A704 K705 Y709 G710 C715 E749	M654-M707 HydrophobicContact CE-SD 3.85Å; M654-M707 HydrophobicContact CG-SD 4.36Å; M654-M707 HydrophobicContact SD-SD 4.42Å; L655-M707 HydrophobicContact CD2-CE 3.93Å; L655-M707 HydrophobicContact CD2-SD 4.26Å; I658-M707 HydrophobicContact CD1-CB 3.94Å; I658-M707 HydrophobicContact CD1-CG 4.14Å; I658-M707 HydrophobicContact CD1-SD 3.85Å; I658-M707 HydrophobicContact CG2-CB 4.43Å; I658-M707 HydrophobicContact CG2-CG 4.12Å; P659-M707 HydrophobicContact CG-CE 4.4Å; A703-M707 WeakPolarHBondContact O-CB 3.42Å; A703-M707 PolarHBondContact O-N 3.09Å; A704-M707 PolarHBondContact O-N 3.34Å; K705-M707 VanDerWaalsContact C-N 3.35Å; M707-Y709 PolarHBondContact O-N 2.81Å; M707-G710 PolarHBondContact O-N 3.19Å; M707-C715 HydrophobicContact CB-CB 4.42Å; M707-E749 HydrophobicContact CE-CB 3.15Å; M707-E749 HydrophobicContact CE-CG 4.37Å
708	R	86.8	Confident	90.1	Very high	81 Å²	81	36.6 Å²	36.6	31%	0.306	18%	0.178	S	C	.	.	H	α-helix	trans	-56.2	-36.5	173.8	-171.8	177.9	69	-178.7	-0	112.4	I658 A704 K705 G710	I658-R708 HydrophobicContact CG2-CB 4.35Å; A704-R708 PolarHBondContact O-N 3.34Å; K705-R708 PolarHBondContact O-N 3.32Å; R708-G710 VanDerWaalsContact C-N 3.29Å; R708-G710 PolarHBondContact O-N 2.94Å
709	Y	85.1	Confident	90.1	Very high	141 Å²	141	34.2 Å²	34.2	55%	0.553	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	5.7	176.8	-60.7	-69.3	0	0	0	113.8	K705 A706 M707 N711	K705-Y709 WeakPolarHBondContact O-CD2 3.47Å; A706-Y709 PolarHBondContact O-N 3.37Å; M707-Y709 PolarHBondContact O-N 2.81Å; Y709-N711 VanDerWaalsContact C-N 3.27Å; Y709-N711 PolarHBondContact O-N 3.28Å
710	G	84.1	Confident	89.9	Confident	8 Å²	8	36.5 Å²	36.5	8%	0.082	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	11.3	-177.1	0	0	0	0	0	114.9	M707 R708 W712	M707-G710 PolarHBondContact O-N 3.19Å; R708-G710 VanDerWaalsContact C-N 3.29Å; R708-G710 PolarHBondContact O-N 2.94Å; G710-W712 PolarHBondContact O-N 3.42Å; G710-W712 VanDerWaalsContact O-N 3.1Å
711	N	89.5	Confident	89.6	Confident	80 Å²	80	38.6 Å²	38.6	43%	0.428	19%	0.189	S	C	.	.			trans	-84.5	86.2	177.9	-171.7	-10.4	0	0	0	110.8	A706 Y709 K713 A714 C715	A706-N711 PolarHBondContact O-N 2.93Å; A706-N711 VanDerWaalsContact O-N 3.11Å; Y709-N711 VanDerWaalsContact C-N 3.27Å; Y709-N711 PolarHBondContact O-N 3.28Å; N711-K713 VanDerWaalsContact C-N 3.34Å; N711-K713 PolarHBondContact O-N 2.87Å; N711-K713 PolarHBondContact OD1-N 3.28Å; N711-A714 HydrophobicContact CB-CB 4.39Å; N711-A714 PolarHBondContact OD1-N 3.14Å; N711-A714 VanDerWaalsContact OD1-N 3.15Å; N711-C715 PolarHBondContact O-N 3.36Å
712	W	92.5	Very high	89.2	Confident	19 Å²	19	43.4 Å²	43.4	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-34.9	-179.7	72.9	-95.2	0	0	0	112.9	G710 A714 C715 T716 I746 K747 S750 C773 F774 E775	G710-W712 PolarHBondContact O-N 3.42Å; G710-W712 VanDerWaalsContact O-N 3.1Å; W712-A714 PolarHBondContact O-N 3.38Å; W712-C715 WeakPolarHBondContact O-CB 3.48Å; W712-C715 PolarHBondContact O-N 3.1Å; W712-T716 HydrophobicContact CE3-CG2 3.94Å; W712-T716 HydrophobicContact CZ3-CG2 4.41Å; W712-T716 WeakPolarHBondContact O-CG2 3.48Å; W712-T716 PolarHBondContact O-N 3.46Å; W712-T716 PolarHBondContact O-OG1 3.14Å; W712-T716 VanDerWaalsContact O-OG1 3.12Å; W712-I746 HydrophobicContact CB-CG2 4.46Å; W712-K747 HydrophobicContact CD2-CG 4.06Å; W712-K747 HydrophobicContact CE3-CD 4.43Å; W712-K747 HydrophobicContact CE3-CG 3.95Å; W712-K747 HydrophobicContact CG-CG 4.41Å; W712-K747 HydrophobicContact CZ3-CD 4.41Å; W712-K747 HydrophobicContact CZ3-CG 4.42Å; W712-S750 VanDerWaalsContact CB-OG 3.28Å; W712-S750 WeakPolarHBondContact CB-OG 3.42Å; W712-C773 PolarHBondContact NE1-O 3.43Å; W712-F774 AromaticContact CD1-CD1 3.5Å; W712-F774 AromaticContact CD1-CE1 3.9Å; W712-F774 HydrophobicContact CG-CD1 4.26Å; W712-E775 HydrophobicContact CH2-CG 4.5Å; W712-E775 WeakPolarHBondContact CH2-OE2 3.2Å; W712-E775 HydrophobicContact CZ2-CB 4.19Å; W712-E775 VanDerWaalsContact CZ2-CD 3.48Å; W712-E775 HydrophobicContact CZ2-CG 3.96Å
713	K	92.7	Very high	88.8	Confident	101 Å²	101	47.1 Å²	47.1	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-43.1	-178.7	-64.5	-171	176.6	-167.4	0	112	N711 T716 N717 E775	N711-K713 VanDerWaalsContact C-N 3.34Å; N711-K713 PolarHBondContact O-N 2.87Å; N711-K713 PolarHBondContact OD1-N 3.28Å; K713-T716 WeakPolarHBondContact CA-OG1 3.47Å; K713-T716 PolarHBondContact O-OG1 3.37Å; K713-N717 WeakPolarHBondContact O-CB 3.32Å; K713-N717 PolarHBondContact O-N 2.98Å; K713-N717 PolarHBondContact O-ND2 2.81Å; K713-N717 PolarHBondContact O-OD1 2.84Å; K713-E775 WeakPolarHBondContact CE-OE1 3.49Å; K713-E775 IonicContact NZ-OE1 3.48Å; K713-E775 PolarHBondContact NZ-OE1 3.42Å
714	A	90.8	Very high	88.2	Confident	23 Å²	23	47.2 Å²	47.2	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-41.6	174.5	0	0	0	0	0	111.2	A706 N711 W712 N717 F718	A706-A714 HydrophobicContact CB-CB 3.86Å; N711-A714 HydrophobicContact CB-CB 4.39Å; N711-A714 PolarHBondContact OD1-N 3.14Å; N711-A714 VanDerWaalsContact OD1-N 3.15Å; W712-A714 PolarHBondContact O-N 3.38Å; A714-N717 PolarHBondContact O-N 3.02Å; A714-F718 HydrophobicContact CB-CE2 4.29Å; A714-F718 WeakPolarHBondContact O-CD2 3.39Å; A714-F718 WeakPolarHBondContact O-CG 3.37Å; A714-F718 PolarHBondContact O-N 2.71Å
715	C	91.4	Very high	87.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-48.4	176.5	-175.4	0	0	0	0	112.2	A706 M707 N711 W712 N717 F718 I719 I746	A706-C715 HydrophobicContact CB-CB 4.41Å; M707-C715 HydrophobicContact CB-CB 4.42Å; N711-C715 PolarHBondContact O-N 3.36Å; W712-C715 WeakPolarHBondContact O-CB 3.48Å; W712-C715 PolarHBondContact O-N 3.1Å; C715-N717 VanDerWaalsContact C-N 3.33Å; C715-N717 PolarHBondContact O-N 3.43Å; C715-F718 PolarHBondContact O-N 3Å; C715-I719 WeakPolarHBondContact O-CG1 3.28Å; C715-I719 PolarHBondContact O-N 3.18Å; C715-I719 VanDerWaalsContact O-N 3.09Å; C715-I746 HydrophobicContact CB-CG2 4.05Å
716	T	90.5	Very high	87.2	Confident	11 Å²	11	49.1 Å²	49.1	7%	0.067	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-38.6	177.5	53.2	0	0	0	0	111.7	W712 K713 I719 I720 E743 I746	W712-T716 HydrophobicContact CE3-CG2 3.94Å; W712-T716 HydrophobicContact CZ3-CG2 4.41Å; W712-T716 WeakPolarHBondContact O-CG2 3.48Å; W712-T716 PolarHBondContact O-N 3.46Å; W712-T716 PolarHBondContact O-OG1 3.14Å; W712-T716 VanDerWaalsContact O-OG1 3.12Å; K713-T716 WeakPolarHBondContact CA-OG1 3.47Å; K713-T716 PolarHBondContact O-OG1 3.37Å; T716-I719 PolarHBondContact O-N 3.41Å; T716-I720 WeakPolarHBondContact O-CA 3.31Å; T716-I720 VanDerWaalsContact O-CB 3.3Å; T716-I720 WeakPolarHBondContact O-CB 3.41Å; T716-I720 PolarHBondContact O-N 3.08Å; T716-E743 HydrophobicContact CG2-CG 4.12Å; T716-I746 HydrophobicContact CG2-CB 4.39Å; T716-I746 HydrophobicContact CG2-CD1 4.22Å; T716-I746 HydrophobicContact CG2-CG2 3.95Å
717	N	91.4	Very high	86.8	Confident	100 Å²	100	53.3 Å²	53.3	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-43	176.2	-69.6	-11.1	0	0	0	111.3	K713 A714 C715 I719 I720 N721	K713-N717 WeakPolarHBondContact O-CB 3.32Å; K713-N717 PolarHBondContact O-N 2.98Å; K713-N717 PolarHBondContact O-ND2 2.81Å; K713-N717 PolarHBondContact O-OD1 2.84Å; A714-N717 PolarHBondContact O-N 3.02Å; C715-N717 VanDerWaalsContact C-N 3.33Å; C715-N717 PolarHBondContact O-N 3.43Å; N717-I719 VanDerWaalsContact C-N 3.32Å; N717-I719 PolarHBondContact O-N 2.92Å; N717-I720 CarbonylContact O-C 3.5Å; N717-N721 PolarHBondContact O-N 3.18Å; N717-N721 PolarHBondContact O-ND2 2.75Å; N717-N721 PolarHBondContact O-OD1 3.25Å
718	F	90.6	Very high	86.5	Confident	63 Å²	63	53.3 Å²	53.3	28%	0.276	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-35.6	177.7	-70.2	-54.1	0	0	0	113.1	P693 H699 A702 A703 A706 A714 C715	P693-F718 HydrophobicContact CG-CD1 3.92Å; P693-F718 HydrophobicContact CG-CE1 4.09Å; H699-F718 PolarHBondContact CD2-O 3.03Å; H699-F718 VanDerWaalsContact CD2-O 3.26Å; A702-F718 HydrophobicContact CB-CD1 4.34Å; A702-F718 HydrophobicContact CB-CD2 4.34Å; A702-F718 HydrophobicContact CB-CE1 4.44Å; A702-F718 HydrophobicContact CB-CE2 4.43Å; A702-F718 HydrophobicContact CB-CG 4.31Å; A702-F718 HydrophobicContact CB-CZ 4.48Å; A703-F718 HydrophobicContact CB-CB 3.9Å; A706-F718 HydrophobicContact CB-CD2 4.4Å; A706-F718 HydrophobicContact CB-CE2 4.31Å; A714-F718 HydrophobicContact CB-CE2 4.29Å; A714-F718 WeakPolarHBondContact O-CD2 3.39Å; A714-F718 WeakPolarHBondContact O-CG 3.37Å; A714-F718 PolarHBondContact O-N 2.71Å; C715-F718 PolarHBondContact O-N 3Å
719	I	88.8	Confident	86.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-82	-42.5	-177.9	-68.2	172.5	0	0	0	111.9	M654 A703 C715 T716 N717 N721 M724 W729 L742 I746	M654-I719 HydrophobicContact CE-CD1 3.59Å; M654-I719 HydrophobicContact SD-CD1 4.13Å; A703-I719 HydrophobicContact CB-CD1 3.9Å; A703-I719 HydrophobicContact CB-CG1 3.75Å; C715-I719 WeakPolarHBondContact O-CG1 3.28Å; C715-I719 PolarHBondContact O-N 3.18Å; C715-I719 VanDerWaalsContact O-N 3.09Å; T716-I719 PolarHBondContact O-N 3.41Å; N717-I719 VanDerWaalsContact C-N 3.32Å; N717-I719 PolarHBondContact O-N 2.92Å; I719-N721 PolarHBondContact O-N 3.17Å; I719-M724 VanDerWaalsContact O-CB 3.28Å; I719-M724 WeakPolarHBondContact O-CB 3.28Å; I719-W729 HydrophobicContact CG2-CZ2 3.84Å; I719-W729 PolarHBondContact O-NE1 2.97Å; I719-L742 HydrophobicContact CG2-CD2 3.54Å; I719-L742 HydrophobicContact CG2-CG 4.46Å; I719-I746 HydrophobicContact CD1-CD1 3.54Å; I719-I746 HydrophobicContact CD1-CG1 4.31Å; I719-I746 HydrophobicContact CG2-CD1 4.46Å
720	I	86.9	Confident	86.3	Confident	51 Å²	51	47.6 Å²	47.6	26%	0.262	26%	0.256	S	S	.	.	S	Bend	trans	-101.7	63.8	179.8	-48	173.1	0	0	0	107.9	T716 N717 K739	T716-I720 WeakPolarHBondContact O-CA 3.31Å; T716-I720 VanDerWaalsContact O-CB 3.3Å; T716-I720 WeakPolarHBondContact O-CB 3.41Å; T716-I720 PolarHBondContact O-N 3.08Å; N717-I720 CarbonylContact O-C 3.5Å; I720-K739 HydrophobicContact CG2-CD 4.45Å
721	N	85.1	Confident	86.2	Confident	45 Å²	45	51.8 Å²	51.8	24%	0.241	28%	0.276	C	S	.	.			trans	-101	149.8	171.2	-94.9	-28	0	0	0	109.3	N717 I719 K723 M724 D725	N717-N721 PolarHBondContact O-N 3.18Å; N717-N721 PolarHBondContact O-ND2 2.75Å; N717-N721 PolarHBondContact O-OD1 3.25Å; I719-N721 PolarHBondContact O-N 3.17Å; N721-K723 PolarHBondContact O-N 3.41Å; N721-M724 HydrophobicContact CB-CB 4.45Å; N721-M724 HydrophobicContact CB-CG 4.34Å; N721-M724 WeakPolarHBondContact O-CA 3.49Å; N721-M724 WeakPolarHBondContact O-CB 3.47Å; N721-M724 PolarHBondContact O-N 3.43Å; N721-D725 PolarHBondContact O-N 3.31Å
722	P	82.3	Confident	85.7	Confident	102 Å²	102	48.8 Å²	48.8	66%	0.662	26%	0.26	S	S	*	.	H	α-helix	trans	-57.3	-28.5	177.2	23.5	-34	0	0	0	112.7	A726	P722-A726 WeakPolarHBondContact O-CB 3.5Å; P722-A726 PolarHBondContact O-N 2.78Å; P722-A726 VanDerWaalsContact O-N 3.15Å
723	K	82.5	Confident	84.9	Confident	94 Å²	94	48.9 Å²	48.9	41%	0.409	26%	0.261	S	S	.	.	H	α-helix	trans	-68.9	-39.7	173.7	-65.4	-175.4	178.9	-177.7	0	113	E694 N721 K727	E694-K723 IonicContact OE1-NZ 3.24Å; E694-K723 PolarHBondContact OE1-NZ 3.47Å; E694-K723 IonicContact OE2-NZ 2.94Å; E694-K723 PolarHBondContact OE2-NZ 3.01Å; N721-K723 PolarHBondContact O-N 3.41Å; K723-K727 WeakPolarHBondContact O-CB 3.45Å; K723-K727 WeakPolarHBondContact O-CG 3.33Å; K723-K727 PolarHBondContact O-N 3.01Å
724	M	79.8	Confident	84.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-74.8	-37.5	177.9	-72.4	-66.4	-71.6	0	0	110.9	C647 P696 H699 I719 N721 K727 I728 W729	C647-M724 VanDerWaalsContact SG-CE 3.53Å; P696-M724 HydrophobicContact CB-CE 4.13Å; P696-M724 HydrophobicContact CB-SD 3.82Å; H699-M724 HydrophobicContact CB-CE 4.36Å; H699-M724 HydrophobicContact CB-CG 4.14Å; H699-M724 HydrophobicContact CB-SD 3.82Å; I719-M724 VanDerWaalsContact O-CB 3.28Å; I719-M724 WeakPolarHBondContact O-CB 3.28Å; N721-M724 HydrophobicContact CB-CB 4.45Å; N721-M724 HydrophobicContact CB-CG 4.34Å; N721-M724 WeakPolarHBondContact O-CA 3.49Å; N721-M724 WeakPolarHBondContact O-CB 3.47Å; N721-M724 PolarHBondContact O-N 3.43Å; M724-K727 PolarHBondContact O-N 2.97Å; M724-I728 HydrophobicContact CE-CD1 3.47Å; M724-I728 VanDerWaalsContact CE-CD1 3.47Å; M724-I728 WeakPolarHBondContact O-CB 3.31Å; M724-I728 PolarHBondContact O-N 3.44Å; M724-I728 HydrophobicContact SD-CD1 3.93Å; M724-W729 PolarHBondContact O-N 3.27Å
725	D	82.3	Confident	83.7	Confident	31 Å²	31	44.5 Å²	44.5	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-55.4	175	-77.1	-6.4	0	0	0	110.8	N721 K727 W729 D730 K739	N721-D725 PolarHBondContact O-N 3.31Å; D725-K727 VanDerWaalsContact C-N 3.3Å; D725-K727 PolarHBondContact O-N 3.37Å; D725-W729 PolarHBondContact O-N 3.43Å; D725-D730 WeakPolarHBondContact O-CB 3.4Å; D725-D730 PolarHBondContact O-N 3.44Å; D725-K739 WeakPolarHBondContact OD1-CE 3.28Å; D725-K739 IonicContact OD1-NZ 3.03Å; D725-K739 PolarHBondContact OD1-NZ 3.49Å; D725-K739 IonicContact OD2-NZ 2.84Å; D725-K739 PolarHBondContact OD2-NZ 2.92Å
726	A	77.2	Confident	83.3	Confident	67 Å²	67	50 Å²	50	55%	0.554	27%	0.269	S	S	*	.	H	α-helix	trans	-63.6	-32.3	-178.8	0	0	0	0	0	113.9	P722	P722-A726 WeakPolarHBondContact O-CB 3.5Å; P722-A726 PolarHBondContact O-N 2.78Å; P722-A726 VanDerWaalsContact O-N 3.15Å
727	K	82	Confident	83.1	Confident	101 Å²	101	53.5 Å²	53.5	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-85.2	-35.3	-177	-75.1	-177	-179.8	-179.6	0	113.6	E694 K723 M724 D725 L731	E694-K727 PolarHBondContact O-NZ 3.41Å; K723-K727 WeakPolarHBondContact O-CB 3.45Å; K723-K727 WeakPolarHBondContact O-CG 3.33Å; K723-K727 PolarHBondContact O-N 3.01Å; M724-K727 PolarHBondContact O-N 2.97Å; D725-K727 VanDerWaalsContact C-N 3.3Å; D725-K727 PolarHBondContact O-N 3.37Å; K727-L731 VanDerWaalsContact O-CD1 3.22Å; K727-L731 WeakPolarHBondContact O-CD1 3.4Å
728	I	84.2	Confident	82.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-58	-163.4	-66.5	162.3	0	0	0	110.6	L644 C647 P696 M724 D730 L731	L644-I728 HydrophobicContact CD1-CB 4.49Å; L644-I728 HydrophobicContact CD1-CG2 3.46Å; L644-I728 VanDerWaalsContact CD1-CG2 3.46Å; C647-I728 HydrophobicContact CB-CD1 3.53Å; C647-I728 HydrophobicContact CB-CG1 4.37Å; C647-I728 HydrophobicContact CB-CG2 4.35Å; C647-I728 VanDerWaalsContact SG-CD1 3.58Å; P696-I728 HydrophobicContact CB-CD1 3.45Å; P696-I728 VanDerWaalsContact CB-CD1 3.45Å; P696-I728 HydrophobicContact CG-CD1 4.38Å; M724-I728 HydrophobicContact CE-CD1 3.47Å; M724-I728 VanDerWaalsContact CE-CD1 3.47Å; M724-I728 WeakPolarHBondContact O-CB 3.31Å; M724-I728 PolarHBondContact O-N 3.44Å; M724-I728 HydrophobicContact SD-CD1 3.93Å; I728-D730 PolarHBondContact O-N 3.26Å; I728-L731 WeakPolarHBondContact O-CB 3.2Å; I728-L731 PolarHBondContact O-N 2.94Å
729	W	84.8	Confident	82.8	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.008	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-73.8	-28.5	-167.3	-53.4	119.9	0	0	0	113.3	F584 I719 M724 D725 L731 L732 S735 V738 L742	F584-W729 HydrophobicContact CE1-CH2 4.09Å; F584-W729 AromaticContact CE1-CZ3 3.7Å; F584-W729 HydrophobicContact CE1-CZ3 3.7Å; F584-W729 AromaticContact CZ-CH2 3.99Å; F584-W729 HydrophobicContact CZ-CH2 3.99Å; F584-W729 HydrophobicContact CZ-CZ3 4.1Å; I719-W729 HydrophobicContact CG2-CZ2 3.84Å; I719-W729 PolarHBondContact O-NE1 2.97Å; M724-W729 PolarHBondContact O-N 3.27Å; D725-W729 PolarHBondContact O-N 3.43Å; W729-L731 PolarHBondContact O-N 3.2Å; W729-L732 HydrophobicContact CE3-CD1 3.85Å; W729-L732 HydrophobicContact CZ3-CD1 4.03Å; W729-L732 PolarHBondContact O-N 3.45Å; W729-S735 VanDerWaalsContact O-CB 3.27Å; W729-S735 WeakPolarHBondContact O-CB 3.44Å; W729-S735 PolarHBondContact O-OG 3.23Å; W729-V738 HydrophobicContact CE3-CG1 4.42Å; W729-V738 HydrophobicContact CZ3-CG1 4.28Å; W729-L742 HydrophobicContact CH2-CD2 3.67Å; W729-L742 HydrophobicContact CZ2-CD2 3.72Å; W729-L742 HydrophobicContact CZ3-CD2 4.44Å
730	D	83.1	Confident	82.9	Confident	99 Å²	99	53.3 Å²	53.3	53%	0.529	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-74.9	-15.5	177.4	-65.4	-12.9	0	0	0	112.4	D725 I728 L732 K739	D725-D730 WeakPolarHBondContact O-CB 3.4Å; D725-D730 PolarHBondContact O-N 3.44Å; I728-D730 PolarHBondContact O-N 3.26Å; D730-L732 VanDerWaalsContact C-N 3.34Å; D730-K739 IonicContact OD1-NZ 2.71Å
731	L	82.7	Confident	82.9	Confident	97 Å²	97	53.2 Å²	53.2	51%	0.508	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-79.3	-18.1	174.8	-57.6	178.3	0	0	0	112.7	N641 K727 I728 W729	N641-L731 HydrophobicContact CB-CD1 4.21Å; N641-L731 WeakPolarHBondContact ND2-CD1 3.41Å; K727-L731 VanDerWaalsContact O-CD1 3.22Å; K727-L731 WeakPolarHBondContact O-CD1 3.4Å; I728-L731 WeakPolarHBondContact O-CB 3.2Å; I728-L731 PolarHBondContact O-N 2.94Å; W729-L731 PolarHBondContact O-N 3.2Å
732	L	79	Confident	83.2	Confident	17 Å²	17	51.5 Å²	51.5	9%	0.089	27%	0.271	C	S	.	.	S	Bend	trans	-87.5	140	-178.3	-68.5	178.9	0	0	0	111.4	L644 W729 D730 V738	L644-L732 HydrophobicContact CD1-CD1 4.23Å; L644-L732 HydrophobicContact CD1-CD2 3.97Å; L644-L732 HydrophobicContact CD1-CG 4.01Å; L644-L732 HydrophobicContact CD2-CD2 3.95Å; W729-L732 HydrophobicContact CE3-CD1 3.85Å; W729-L732 HydrophobicContact CZ3-CD1 4.03Å; W729-L732 PolarHBondContact O-N 3.45Å; D730-L732 VanDerWaalsContact C-N 3.34Å; L732-V738 HydrophobicContact CD1-CG1 4.26Å
733	F	75	Confident	83.7	Confident	20 Å²	20	49.7 Å²	49.7	9%	0.088	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	136.4	166.5	178.1	-125.2	0	0	0	111	F486 W490 G491 V494 E495 N543	F486-F733 HydrophobicContact CE1-CB 4.25Å; F486-F733 AromaticContact CE1-CD2 3.51Å; F486-F733 HydrophobicContact CE1-CD2 3.51Å; F486-F733 HydrophobicContact CE1-CE2 4.06Å; F486-F733 AromaticContact CE1-CG 3.89Å; F486-F733 HydrophobicContact CE1-CG 3.89Å; F486-F733 HydrophobicContact CE2-CD1 4.05Å; F486-F733 HydrophobicContact CE2-CD2 4.26Å; F486-F733 HydrophobicContact CE2-CE1 4.37Å; F486-F733 AromaticContact CE2-CG 3.99Å; F486-F733 HydrophobicContact CE2-CG 3.99Å; F486-F733 HydrophobicContact CZ-CB 4.01Å; F486-F733 AromaticContact CZ-CD1 3.73Å; F486-F733 HydrophobicContact CZ-CD1 3.73Å; F486-F733 AromaticContact CZ-CD2 3.19Å; F486-F733 HydrophobicContact CZ-CD2 3.19Å; F486-F733 AromaticContact CZ-CE1 3.97Å; F486-F733 HydrophobicContact CZ-CE1 3.97Å; F486-F733 AromaticContact CZ-CE2 3.52Å; F486-F733 HydrophobicContact CZ-CE2 3.52Å; F486-F733 AromaticContact CZ-CG 3.33Å; F486-F733 HydrophobicContact CZ-CG 3.33Å; F486-F733 AromaticContact CZ-CZ 3.88Å; F486-F733 HydrophobicContact CZ-CZ 3.88Å; W490-F733 HydrophobicContact CE3-CZ 4.45Å; W490-F733 HydrophobicContact CZ3-CE1 4.03Å; W490-F733 AromaticContact CZ3-CZ 3.95Å; W490-F733 HydrophobicContact CZ3-CZ 3.95Å; G491-F733 WeakPolarHBondContact O-CE2 3.28Å; V494-F733 HydrophobicContact CB-CZ 4.06Å; V494-F733 HydrophobicContact CG1-CZ 3.95Å; E495-F733 HydrophobicContact CG-CE2 4.22Å; N543-F733 WeakPolarHBondContact ND2-CD1 3.2Å
734	E	76.9	Confident	84.1	Confident	18 Å²	18	48.3 Å²	48.3	8%	0.084	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	44.6	-174.8	-60.7	178.7	-177.8	0	0	113.6	V494 E495 N543 N736 K737 V738	V494-E734 WeakPolarHBondContact CG1-OE1 3.24Å; E495-E734 HydrophobicContact CG-CG 4.09Å; E495-E734 VanDerWaalsContact OE1-CA 3.29Å; E495-E734 WeakPolarHBondContact OE1-CA 3.11Å; E495-E734 PolarHBondContact OE1-N 3.49Å; N543-E734 PolarHBondContact ND2-OE2 2.81Å; E734-N736 VanDerWaalsContact C-N 3.25Å; E734-N736 PolarHBondContact O-N 3.06Å; E734-N736 VanDerWaalsContact O-N 3.13Å; E734-K737 HydrophobicContact CB-CB 4.16Å; E734-K737 HydrophobicContact CB-CD 4.49Å; E734-K737 PolarHBondContact O-N 2.83Å; E734-K737 WeakPolarHBondContact OE2-CD 3.47Å; E734-K737 IonicContact OE2-NZ 3.03Å; E734-K737 PolarHBondContact OE2-NZ 2.83Å; E734-V738 WeakPolarHBondContact O-CG2 3.49Å; E734-V738 PolarHBondContact O-N 2.95Å; E734-V738 VanDerWaalsContact O-N 3.09Å
735	S	80.7	Confident	84.6	Confident	15 Å²	15	51 Å²	51	11%	0.105	26%	0.264	C	S	.	.	H	α-helix	trans	-48.7	-44	-177.1	-170.6	0	0	0	0	113.4	W729 K737 V738 K739	W729-S735 VanDerWaalsContact O-CB 3.27Å; W729-S735 WeakPolarHBondContact O-CB 3.44Å; W729-S735 PolarHBondContact O-OG 3.23Å; S735-K737 PolarHBondContact O-N 3.45Å; S735-V738 PolarHBondContact O-N 3.1Å; S735-K739 VanDerWaalsContact O-CG 3.3Å; S735-K739 WeakPolarHBondContact O-CG 3.12Å; S735-K739 PolarHBondContact O-N 3.47Å; S735-K739 WeakPolarHBondContact OG-CE 3.41Å
736	N	83.5	Confident	85.2	Confident	116 Å²	116	49.5 Å²	49.5	62%	0.62	26%	0.256	S	S	*	.	H	α-helix	trans	-63.1	-41.2	-179.2	-68.6	-31.7	0	0	0	113.1	E734 K739 Q740	E734-N736 VanDerWaalsContact C-N 3.25Å; E734-N736 PolarHBondContact O-N 3.06Å; E734-N736 VanDerWaalsContact O-N 3.13Å; N736-K739 PolarHBondContact O-N 2.85Å; N736-Q740 VanDerWaalsContact O-CG 3.31Å; N736-Q740 WeakPolarHBondContact O-CG 3.34Å; N736-Q740 PolarHBondContact O-N 3.4Å
737	K	86.3	Confident	85.9	Confident	84 Å²	84	47.1 Å²	47.1	37%	0.365	23%	0.233	S	C	.	.	H	α-helix	trans	-70.1	-39.7	179.4	-173.8	-172.5	178	-179	0	110.8	E734 S735 Q740 N741	E734-K737 HydrophobicContact CB-CB 4.16Å; E734-K737 HydrophobicContact CB-CD 4.49Å; E734-K737 PolarHBondContact O-N 2.83Å; E734-K737 WeakPolarHBondContact OE2-CD 3.47Å; E734-K737 IonicContact OE2-NZ 3.03Å; E734-K737 PolarHBondContact OE2-NZ 2.83Å; S735-K737 PolarHBondContact O-N 3.45Å; K737-Q740 PolarHBondContact O-N 3.4Å; K737-N741 VanDerWaalsContact O-CB 3.31Å; K737-N741 WeakPolarHBondContact O-CB 3.39Å; K737-N741 PolarHBondContact O-N 2.9Å; K737-N741 PolarHBondContact O-ND2 3.4Å
738	V	87.7	Confident	86.4	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-45.1	174.3	179.2	0	0	0	0	110.4	F584 R585 W729 L732 E734 S735 N741 L742	F584-V738 HydrophobicContact CD1-CG1 4.33Å; F584-V738 HydrophobicContact CE1-CG1 3.8Å; R585-V738 HydrophobicContact CB-CG2 4.3Å; R585-V738 HydrophobicContact CG-CG2 3.88Å; W729-V738 HydrophobicContact CE3-CG1 4.42Å; W729-V738 HydrophobicContact CZ3-CG1 4.28Å; L732-V738 HydrophobicContact CD1-CG1 4.26Å; E734-V738 WeakPolarHBondContact O-CG2 3.49Å; E734-V738 PolarHBondContact O-N 2.95Å; E734-V738 VanDerWaalsContact O-N 3.09Å; S735-V738 PolarHBondContact O-N 3.1Å; V738-N741 PolarHBondContact O-N 3.11Å; V738-L742 WeakPolarHBondContact O-CB 3.39Å; V738-L742 PolarHBondContact O-N 3.33Å
739	K	88.6	Confident	86.7	Confident	30 Å²	30	45.3 Å²	45.3	13%	0.13	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-45.7	176.1	-71.9	175.8	-171.8	-177.6	0	112.1	I720 D725 D730 S735 N736 L742 E743	I720-K739 HydrophobicContact CG2-CD 4.45Å; D725-K739 WeakPolarHBondContact OD1-CE 3.28Å; D725-K739 IonicContact OD1-NZ 3.03Å; D725-K739 PolarHBondContact OD1-NZ 3.49Å; D725-K739 IonicContact OD2-NZ 2.84Å; D725-K739 PolarHBondContact OD2-NZ 2.92Å; D730-K739 IonicContact OD1-NZ 2.71Å; S735-K739 VanDerWaalsContact O-CG 3.3Å; S735-K739 WeakPolarHBondContact O-CG 3.12Å; S735-K739 PolarHBondContact O-N 3.47Å; S735-K739 WeakPolarHBondContact OG-CE 3.41Å; N736-K739 PolarHBondContact O-N 2.85Å; K739-L742 PolarHBondContact O-N 2.89Å; K739-E743 WeakPolarHBondContact O-CB 3.18Å; K739-E743 PolarHBondContact O-N 3.35Å
740	Q	89.5	Confident	87	Confident	124 Å²	124	45.2 Å²	45.2	58%	0.579	23%	0.226	S	C	*	.	H	α-helix	trans	-62.6	-47	176.5	-73.6	173.9	5.1	0	0	112.1	N736 K737 L742 E743 V744	N736-Q740 VanDerWaalsContact O-CG 3.31Å; N736-Q740 WeakPolarHBondContact O-CG 3.34Å; N736-Q740 PolarHBondContact O-N 3.4Å; K737-Q740 PolarHBondContact O-N 3.4Å; Q740-L742 VanDerWaalsContact C-N 3.3Å; Q740-L742 PolarHBondContact O-N 3Å; Q740-E743 PolarHBondContact O-N 2.93Å; Q740-V744 WeakPolarHBondContact O-CG2 3.21Å; Q740-V744 PolarHBondContact O-N 2.76Å
741	N	88.8	Confident	87.4	Confident	49 Å²	49	40.5 Å²	40.5	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-42.4	176.9	-76.5	-16	0	0	0	111.6	S587 K737 V738 V744 K745	S587-N741 VanDerWaalsContact OG-CB 3.28Å; S587-N741 WeakPolarHBondContact OG-CB 3.11Å; S587-N741 VanDerWaalsContact OG-CG 3.25Å; S587-N741 PolarHBondContact OG-ND2 3.39Å; S587-N741 VanDerWaalsContact OG-ND2 3.14Å; K737-N741 VanDerWaalsContact O-CB 3.31Å; K737-N741 WeakPolarHBondContact O-CB 3.39Å; K737-N741 PolarHBondContact O-N 2.9Å; K737-N741 PolarHBondContact O-ND2 3.4Å; V738-N741 PolarHBondContact O-N 3.11Å; N741-V744 PolarHBondContact O-N 2.96Å; N741-K745 WeakPolarHBondContact O-CB 3.33Å; N741-K745 VanDerWaalsContact O-CG 3.28Å; N741-K745 WeakPolarHBondContact O-CG 3.4Å; N741-K745 PolarHBondContact O-N 3.5Å
742	L	90.7	Very high	87.8	Confident	9 Å²	9	37.6 Å²	37.6	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-40.5	178	-173.6	59.1	0	0	0	111.4	F584 V651 L655 I719 W729 V738 K739 Q740 K745 I746	F584-L742 HydrophobicContact CZ-CD1 4.33Å; V651-L742 HydrophobicContact CG1-CD1 3.64Å; V651-L742 HydrophobicContact CG1-CD2 4.38Å; L655-L742 HydrophobicContact CD1-CD1 3.94Å; I719-L742 HydrophobicContact CG2-CD2 3.54Å; I719-L742 HydrophobicContact CG2-CG 4.46Å; W729-L742 HydrophobicContact CH2-CD2 3.67Å; W729-L742 HydrophobicContact CZ2-CD2 3.72Å; W729-L742 HydrophobicContact CZ3-CD2 4.44Å; V738-L742 WeakPolarHBondContact O-CB 3.39Å; V738-L742 PolarHBondContact O-N 3.33Å; K739-L742 PolarHBondContact O-N 2.89Å; Q740-L742 VanDerWaalsContact C-N 3.3Å; Q740-L742 PolarHBondContact O-N 3Å; L742-K745 PolarHBondContact O-N 2.65Å; L742-I746 HydrophobicContact CD1-CD1 4.21Å; L742-I746 HydrophobicContact CD1-CG1 4.34Å; L742-I746 HydrophobicContact CG-CD1 3.82Å; L742-I746 HydrophobicContact CG-CG1 4.41Å; L742-I746 WeakPolarHBondContact O-CB 3.1Å; L742-I746 WeakPolarHBondContact O-CD1 3.49Å; L742-I746 WeakPolarHBondContact O-CG1 3.47Å; L742-I746 PolarHBondContact O-N 3.27Å
743	E	92.1	Very high	88.3	Confident	63 Å²	63	36.8 Å²	36.8	29%	0.294	18%	0.179	S	C	.	.	H	α-helix	trans	-60.2	-47.2	174.4	-170.3	-170.9	160.6	0	0	111.5	T716 K739 Q740 K745 I746 K747	T716-E743 HydrophobicContact CG2-CG 4.12Å; K739-E743 WeakPolarHBondContact O-CB 3.18Å; K739-E743 PolarHBondContact O-N 3.35Å; Q740-E743 PolarHBondContact O-N 2.93Å; E743-K745 VanDerWaalsContact C-N 3.31Å; E743-K745 PolarHBondContact O-N 3.47Å; E743-I746 PolarHBondContact O-N 2.93Å; E743-K747 HydrophobicContact CG-CD 4.39Å; E743-K747 WeakPolarHBondContact O-CB 3.26Å; E743-K747 VanDerWaalsContact O-CG 3.31Å; E743-K747 WeakPolarHBondContact O-CG 3.34Å; E743-K747 PolarHBondContact O-N 3.27Å; E743-K747 WeakPolarHBondContact OE1-CE 3.48Å; E743-K747 IonicContact OE1-NZ 3.43Å; E743-K747 PolarHBondContact OE1-NZ 2.98Å
744	V	91.7	Very high	89	Confident	65 Å²	65	37.8 Å²	37.8	39%	0.394	18%	0.184	S	C	.	.	H	α-helix	trans	-59.8	-43.9	176.4	173.7	0	0	0	0	110.6	Q740 N741 K747 E748	Q740-V744 WeakPolarHBondContact O-CG2 3.21Å; Q740-V744 PolarHBondContact O-N 2.76Å; N741-V744 PolarHBondContact O-N 2.96Å; V744-K747 WeakPolarHBondContact O-CB 3.34Å; V744-K747 PolarHBondContact O-N 3.28Å; V744-E748 WeakPolarHBondContact O-CG 3.36Å; V744-E748 PolarHBondContact O-N 3.24Å
745	K	90.7	Very high	89.6	Confident	57 Å²	57	37 Å²	37	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-39.8	179.4	-70.9	-71	169.4	-155.7	0	113.2	I589 L655 N741 L742 E743 K747 E748 E749	I589-K745 HydrophobicContact CD1-CB 3.96Å; I589-K745 HydrophobicContact CD1-CD 3.73Å; I589-K745 HydrophobicContact CD1-CG 3.72Å; L655-K745 HydrophobicContact CD1-CB 4.34Å; N741-K745 WeakPolarHBondContact O-CB 3.33Å; N741-K745 VanDerWaalsContact O-CG 3.28Å; N741-K745 WeakPolarHBondContact O-CG 3.4Å; N741-K745 PolarHBondContact O-N 3.5Å; L742-K745 PolarHBondContact O-N 2.65Å; E743-K745 VanDerWaalsContact C-N 3.31Å; E743-K745 PolarHBondContact O-N 3.47Å; K745-K747 VanDerWaalsContact C-N 3.3Å; K745-K747 PolarHBondContact O-N 2.96Å; K745-E748 IonicContact NZ-OE2 3.39Å; K745-E748 PolarHBondContact NZ-OE2 3.24Å; K745-E748 PolarHBondContact O-N 3.34Å; K745-E749 WeakPolarHBondContact O-CB 3.43Å; K745-E749 WeakPolarHBondContact O-CG 3.42Å; K745-E749 PolarHBondContact O-N 3.16Å
746	I	93.3	Very high	89.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-42.1	172.5	-69.8	162.2	0	0	0	109.9	L655 W712 C715 T716 I719 L742 E743 S750	L655-I746 HydrophobicContact CD2-CG1 3.99Å; W712-I746 HydrophobicContact CB-CG2 4.46Å; C715-I746 HydrophobicContact CB-CG2 4.05Å; T716-I746 HydrophobicContact CG2-CB 4.39Å; T716-I746 HydrophobicContact CG2-CD1 4.22Å; T716-I746 HydrophobicContact CG2-CG2 3.95Å; I719-I746 HydrophobicContact CD1-CD1 3.54Å; I719-I746 HydrophobicContact CD1-CG1 4.31Å; I719-I746 HydrophobicContact CG2-CD1 4.46Å; L742-I746 HydrophobicContact CD1-CD1 4.21Å; L742-I746 HydrophobicContact CD1-CG1 4.34Å; L742-I746 HydrophobicContact CG-CD1 3.82Å; L742-I746 HydrophobicContact CG-CG1 4.41Å; L742-I746 WeakPolarHBondContact O-CB 3.1Å; L742-I746 WeakPolarHBondContact O-CD1 3.49Å; L742-I746 WeakPolarHBondContact O-CG1 3.47Å; L742-I746 PolarHBondContact O-N 3.27Å; E743-I746 PolarHBondContact O-N 2.93Å; I746-S750 WeakPolarHBondContact O-CB 3.3Å; I746-S750 PolarHBondContact O-N 2.93Å; I746-S750 PolarHBondContact O-OG 3.45Å
747	K	92.7	Very high	89.9	Confident	17 Å²	17	33.5 Å²	33.5	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-44.7	176.1	-72.9	173.1	177	178	0	112.2	W712 E743 V744 K745 S750 L751 F774 L776	W712-K747 HydrophobicContact CD2-CG 4.06Å; W712-K747 HydrophobicContact CE3-CD 4.43Å; W712-K747 HydrophobicContact CE3-CG 3.95Å; W712-K747 HydrophobicContact CG-CG 4.41Å; W712-K747 HydrophobicContact CZ3-CD 4.41Å; W712-K747 HydrophobicContact CZ3-CG 4.42Å; E743-K747 HydrophobicContact CG-CD 4.39Å; E743-K747 WeakPolarHBondContact O-CB 3.26Å; E743-K747 VanDerWaalsContact O-CG 3.31Å; E743-K747 WeakPolarHBondContact O-CG 3.34Å; E743-K747 PolarHBondContact O-N 3.27Å; E743-K747 WeakPolarHBondContact OE1-CE 3.48Å; E743-K747 IonicContact OE1-NZ 3.43Å; E743-K747 PolarHBondContact OE1-NZ 2.98Å; V744-K747 WeakPolarHBondContact O-CB 3.34Å; V744-K747 PolarHBondContact O-N 3.28Å; K745-K747 VanDerWaalsContact C-N 3.3Å; K745-K747 PolarHBondContact O-N 2.96Å; K747-S750 WeakPolarHBondContact CA-OG 3.42Å; K747-S750 PolarHBondContact O-OG 2.99Å; K747-L751 WeakPolarHBondContact O-CB 3.36Å; K747-L751 PolarHBondContact O-N 2.88Å; K747-F774 WeakPolarHBondContact CD-O 3.35Å; K747-L776 HydrophobicContact CB-CD1 3.87Å; K747-L776 HydrophobicContact CB-CD2 3.92Å; K747-L776 HydrophobicContact CB-CG 3.94Å; K747-L776 HydrophobicContact CD-CD2 4.05Å; K747-L776 HydrophobicContact CD-CG 4.37Å
748	E	91.6	Very high	89.9	Confident	31 Å²	31	32.3 Å²	32.3	15%	0.145	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-47.5	176.7	-73.2	178.3	171.5	0	0	112.3	V744 K745 L751 R752 L776 V780 V784	V744-E748 WeakPolarHBondContact O-CG 3.36Å; V744-E748 PolarHBondContact O-N 3.24Å; K745-E748 IonicContact NZ-OE2 3.39Å; K745-E748 PolarHBondContact NZ-OE2 3.24Å; K745-E748 PolarHBondContact O-N 3.34Å; E748-L751 WeakPolarHBondContact O-CB 3.38Å; E748-L751 PolarHBondContact O-N 3.3Å; E748-R752 WeakPolarHBondContact O-CG 3.42Å; E748-R752 PolarHBondContact O-N 3.45Å; E748-R752 VanDerWaalsContact O-N 3.13Å; E748-L776 HydrophobicContact CG-CD1 4.45Å; E748-V780 HydrophobicContact CG-CG1 4.14Å; E748-V780 WeakPolarHBondContact OE1-CG1 3.49Å; E748-V784 HydrophobicContact CG-CG2 4.4Å
749	E	91	Very high	89.7	Confident	34 Å²	34	33 Å²	33	16%	0.159	16%	0.16	C	C	.	.	H	α-helix	trans	-80.2	-27.8	-175.5	-65	-60.2	163.9	0	0	113	L655 P659 M707 K745 R752 S753	L655-E749 HydrophobicContact CD2-CB 4.25Å; L655-E749 HydrophobicContact CD2-CG 4.29Å; P659-E749 HydrophobicContact CG-CB 4Å; P659-E749 HydrophobicContact CG-CG 4.41Å; P659-E749 WeakPolarHBondContact CG-OE2 3.31Å; M707-E749 HydrophobicContact CE-CB 3.15Å; M707-E749 HydrophobicContact CE-CG 4.37Å; K745-E749 WeakPolarHBondContact O-CB 3.43Å; K745-E749 WeakPolarHBondContact O-CG 3.42Å; K745-E749 PolarHBondContact O-N 3.16Å; E749-R752 PolarHBondContact O-N 3.03Å; E749-R752 WeakPolarHBondContact OE2-CD 3.36Å; E749-R752 IonicContact OE2-NE 2.81Å; E749-R752 PolarHBondContact OE2-NE 3.34Å; E749-R752 VanDerWaalsContact OE2-NE 3.11Å; E749-S753 WeakPolarHBondContact O-CB 3.09Å; E749-S753 PolarHBondContact O-N 3.14Å; E749-S753 PolarHBondContact O-OG 2.98Å
750	S	92.3	Very high	89.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.6	-35.1	169.9	58.8	0	0	0	0	111.9	W712 I746 K747 S753 F754	W712-S750 VanDerWaalsContact CB-OG 3.28Å; W712-S750 WeakPolarHBondContact CB-OG 3.42Å; I746-S750 WeakPolarHBondContact O-CB 3.3Å; I746-S750 PolarHBondContact O-N 2.93Å; I746-S750 PolarHBondContact O-OG 3.45Å; K747-S750 WeakPolarHBondContact CA-OG 3.42Å; K747-S750 PolarHBondContact O-OG 2.99Å; S750-S753 PolarHBondContact O-N 3.46Å; S750-F754 WeakPolarHBondContact O-CB 3.44Å; S750-F754 PolarHBondContact O-N 3.17Å
751	L	91.6	Very high	89.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-46.5	169.5	171	68	0	0	0	110.8	K747 E748 F754 L755 L770 F774 I781 V784	K747-L751 WeakPolarHBondContact O-CB 3.36Å; K747-L751 PolarHBondContact O-N 2.88Å; E748-L751 WeakPolarHBondContact O-CB 3.38Å; E748-L751 PolarHBondContact O-N 3.3Å; L751-F754 PolarHBondContact O-N 3.2Å; L751-L755 HydrophobicContact CD1-CD1 4.09Å; L751-L755 HydrophobicContact CD1-CG 4.22Å; L751-L755 HydrophobicContact CG-CD1 4.2Å; L751-L755 WeakPolarHBondContact O-CG 3.49Å; L751-L755 PolarHBondContact O-N 3.04Å; L751-L770 HydrophobicContact CD1-CD1 4.48Å; L751-L770 HydrophobicContact CD1-CD2 3.95Å; L751-F774 HydrophobicContact CB-CD1 4.16Å; L751-F774 HydrophobicContact CB-CD2 4.4Å; L751-F774 HydrophobicContact CB-CE1 4.19Å; L751-F774 HydrophobicContact CB-CE2 4.43Å; L751-F774 HydrophobicContact CB-CG 4.27Å; L751-F774 HydrophobicContact CB-CZ 4.34Å; L751-F774 HydrophobicContact CD1-CD2 3.71Å; L751-F774 HydrophobicContact CD1-CE2 3.63Å; L751-F774 HydrophobicContact CD1-CG 4.37Å; L751-F774 HydrophobicContact CD1-CZ 4.24Å; L751-I781 HydrophobicContact CD2-CB 4.42Å; L751-I781 HydrophobicContact CD2-CG1 4.1Å; L751-I781 HydrophobicContact CD2-CG2 4.15Å; L751-V784 HydrophobicContact CD2-CG1 4.31Å
752	R	90.6	Very high	89.1	Confident	35 Å²	35	35.1 Å²	35.1	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-48.5	175.9	-72.8	171.8	54.5	78.9	4.6	111.3	P659 E748 E749 F754 L755 F756 V784 M788 E793	P659-R752 HydrophobicContact CB-CB 4.38Å; E748-R752 WeakPolarHBondContact O-CG 3.42Å; E748-R752 PolarHBondContact O-N 3.45Å; E748-R752 VanDerWaalsContact O-N 3.13Å; E749-R752 PolarHBondContact O-N 3.03Å; E749-R752 WeakPolarHBondContact OE2-CD 3.36Å; E749-R752 IonicContact OE2-NE 2.81Å; E749-R752 PolarHBondContact OE2-NE 3.34Å; E749-R752 VanDerWaalsContact OE2-NE 3.11Å; R752-F754 VanDerWaalsContact C-N 3.34Å; R752-F754 PolarHBondContact O-N 2.77Å; R752-L755 PolarHBondContact O-N 3.43Å; R752-F756 HydrophobicContact CB-CE2 4.25Å; R752-F756 WeakPolarHBondContact O-CD2 3.37Å; R752-F756 WeakPolarHBondContact O-CG 3.42Å; R752-F756 PolarHBondContact O-N 3.34Å; R752-V784 HydrophobicContact CG-CG1 3.63Å; R752-M788 HydrophobicContact CB-SD 4.42Å; R752-M788 HydrophobicContact CG-CG 4.5Å; R752-M788 HydrophobicContact CG-SD 3.83Å; R752-E793 IonicContact CZ-OE2 2.81Å; R752-E793 IonicContact NH1-OE2 3.45Å; R752-E793 PolarHBondContact NH1-OE2 3.2Å; R752-E793 IonicContact NH2-OE1 3.64Å; R752-E793 IonicContact NH2-OE2 2.69Å; R752-E793 PolarHBondContact NH2-OE2 3.35Å
753	S	89.2	Confident	88.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-39.5	178.7	-54.3	0	0	0	0	112.4	E749 S750 F756 T757	E749-S753 WeakPolarHBondContact O-CB 3.09Å; E749-S753 PolarHBondContact O-N 3.14Å; E749-S753 PolarHBondContact O-OG 2.98Å; S750-S753 PolarHBondContact O-N 3.46Å; S753-F756 PolarHBondContact O-N 3.44Å; S753-T757 WeakPolarHBondContact O-CB 3.45Å; S753-T757 WeakPolarHBondContact O-CG2 3.34Å; S753-T757 PolarHBondContact O-N 2.82Å; S753-T757 PolarHBondContact O-OG1 2.92Å
754	F	90.1	Very high	88.7	Confident	42 Å²	42	39.7 Å²	39.7	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-45.7	174.3	179	-88.1	0	0	0	111.4	S750 L751 R752 F756 T757 F758 M765 F774	S750-F754 WeakPolarHBondContact O-CB 3.44Å; S750-F754 PolarHBondContact O-N 3.17Å; L751-F754 PolarHBondContact O-N 3.2Å; R752-F754 VanDerWaalsContact C-N 3.34Å; R752-F754 PolarHBondContact O-N 2.77Å; F754-F756 VanDerWaalsContact C-N 3.34Å; F754-F756 PolarHBondContact O-N 3.46Å; F754-T757 PolarHBondContact O-N 3.23Å; F754-T757 PolarHBondContact O-OG1 3.44Å; F754-F758 HydrophobicContact CD1-CD2 4.39Å; F754-F758 AromaticContact CD2-CD2 3.32Å; F754-F758 HydrophobicContact CD2-CD2 3.32Å; F754-F758 AromaticContact CD2-CE2 3.56Å; F754-F758 HydrophobicContact CD2-CE2 3.56Å; F754-F758 HydrophobicContact CD2-CG 4.47Å; F754-F758 HydrophobicContact CE1-CB 4.45Å; F754-F758 HydrophobicContact CE1-CD2 4.33Å; F754-F758 AromaticContact CE2-CD2 3.28Å; F754-F758 HydrophobicContact CE2-CD2 3.28Å; F754-F758 AromaticContact CE2-CE2 3.6Å; F754-F758 HydrophobicContact CE2-CE2 3.6Å; F754-F758 HydrophobicContact CE2-CG 4.14Å; F754-F758 AromaticContact CG-CD2 3.9Å; F754-F758 HydrophobicContact CG-CD2 3.9Å; F754-F758 HydrophobicContact CG-CE2 4.47Å; F754-F758 HydrophobicContact CZ-CB 4.32Å; F754-F758 AromaticContact CZ-CD2 3.82Å; F754-F758 HydrophobicContact CZ-CD2 3.82Å; F754-F758 HydrophobicContact CZ-CG 4.3Å; F754-F758 WeakPolarHBondContact O-CB 3.49Å; F754-F758 WeakPolarHBondContact O-CD2 3.48Å; F754-F758 PolarHBondContact O-N 3.35Å; F754-M765 HydrophobicContact CE1-CE 3.75Å; F754-M765 HydrophobicContact CE1-SD 4.44Å; F754-M765 HydrophobicContact CZ-CE 4.43Å; F754-F774 HydrophobicContact CB-CZ 3.74Å; F754-F774 HydrophobicContact CD1-CE2 4.3Å; F754-F774 HydrophobicContact CD1-CZ 4.26Å; F754-F774 HydrophobicContact CD2-CZ 4.31Å; F754-F774 HydrophobicContact CG-CE2 4.31Å; F754-F774 AromaticContact CG-CZ 3.83Å; F754-F774 HydrophobicContact CG-CZ 3.83Å
755	L	88.4	Confident	88.4	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-37.3	178.8	-71.5	173.6	0	0	0	111.9	L751 R752 S759 M765 I785 M788 L805 M807	L751-L755 HydrophobicContact CD1-CD1 4.09Å; L751-L755 HydrophobicContact CD1-CG 4.22Å; L751-L755 HydrophobicContact CG-CD1 4.2Å; L751-L755 WeakPolarHBondContact O-CG 3.49Å; L751-L755 PolarHBondContact O-N 3.04Å; R752-L755 PolarHBondContact O-N 3.43Å; L755-S759 WeakPolarHBondContact O-CA 3.18Å; L755-S759 WeakPolarHBondContact O-CB 3.34Å; L755-S759 PolarHBondContact O-N 3.13Å; L755-M765 HydrophobicContact CD2-SD 4.02Å; L755-I785 HydrophobicContact CD1-CD1 4.42Å; L755-I785 HydrophobicContact CD1-CG1 3.9Å; L755-M788 HydrophobicContact CB-CE 3.91Å; L755-M788 HydrophobicContact CD1-CE 4.22Å; L755-M788 HydrophobicContact CD1-SD 3.9Å; L755-L805 HydrophobicContact CD2-CD2 4.15Å; L755-M807 HydrophobicContact CD2-CE 4.1Å
756	F	86.9	Confident	88.4	Confident	21 Å²	21	38.3 Å²	38.3	9%	0.092	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-40.2	176.2	-68.2	-46.9	0	0	0	113.7	P659 A662 A663 R752 S753 F754 S759 M788 E793	P659-F756 HydrophobicContact CB-CE2 4.35Å; P659-F756 WeakPolarHBondContact O-CD2 3.17Å; A662-F756 HydrophobicContact CB-CB 3.89Å; A662-F756 HydrophobicContact CB-CD2 4.35Å; A663-F756 HydrophobicContact CB-CD1 3.98Å; A663-F756 HydrophobicContact CB-CD2 3.94Å; A663-F756 HydrophobicContact CB-CE1 3.99Å; A663-F756 HydrophobicContact CB-CE2 3.95Å; A663-F756 HydrophobicContact CB-CG 3.97Å; A663-F756 HydrophobicContact CB-CZ 3.97Å; R752-F756 HydrophobicContact CB-CE2 4.25Å; R752-F756 WeakPolarHBondContact O-CD2 3.37Å; R752-F756 WeakPolarHBondContact O-CG 3.42Å; R752-F756 PolarHBondContact O-N 3.34Å; S753-F756 PolarHBondContact O-N 3.44Å; F754-F756 VanDerWaalsContact C-N 3.34Å; F754-F756 PolarHBondContact O-N 3.46Å; F756-S759 PolarHBondContact O-OG 2.99Å; F756-M788 HydrophobicContact CD1-CE 3.95Å; F756-M788 HydrophobicContact CD2-CE 4.43Å; F756-M788 HydrophobicContact CE1-CE 3.4Å; F756-M788 VanDerWaalsContact CE1-CE 3.4Å; F756-M788 HydrophobicContact CE2-CE 3.97Å; F756-M788 HydrophobicContact CG-CE 4.42Å; F756-M788 HydrophobicContact CZ-CE 3.41Å; F756-M788 VanDerWaalsContact CZ-CE 3.41Å; F756-E793 HydrophobicContact CE1-CB 3.78Å; F756-E793 HydrophobicContact CZ-CB 3.88Å
757	T	84.9	Confident	88.1	Confident	37 Å²	37	38.4 Å²	38.4	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-77.6	-33	-177	47.2	0	0	0	0	112.8	A662 S753 F754	A662-T757 HydrophobicContact CB-CG2 4.06Å; S753-T757 WeakPolarHBondContact O-CB 3.45Å; S753-T757 WeakPolarHBondContact O-CG2 3.34Å; S753-T757 PolarHBondContact O-N 2.82Å; S753-T757 PolarHBondContact O-OG1 2.92Å; F754-T757 PolarHBondContact O-N 3.23Å; F754-T757 PolarHBondContact O-OG1 3.44Å
758	F	85.8	Confident	88	Confident	59 Å²	59	40.5 Å²	40.5	26%	0.259	22%	0.223	S	C	.	.	H	α-helix	trans	-109.9	8.1	-176.1	-58.6	-68.1	0	0	0	114.1	F754 A760 I761 H762	F754-F758 HydrophobicContact CD1-CD2 4.39Å; F754-F758 AromaticContact CD2-CD2 3.32Å; F754-F758 HydrophobicContact CD2-CD2 3.32Å; F754-F758 AromaticContact CD2-CE2 3.56Å; F754-F758 HydrophobicContact CD2-CE2 3.56Å; F754-F758 HydrophobicContact CD2-CG 4.47Å; F754-F758 HydrophobicContact CE1-CB 4.45Å; F754-F758 HydrophobicContact CE1-CD2 4.33Å; F754-F758 AromaticContact CE2-CD2 3.28Å; F754-F758 HydrophobicContact CE2-CD2 3.28Å; F754-F758 AromaticContact CE2-CE2 3.6Å; F754-F758 HydrophobicContact CE2-CE2 3.6Å; F754-F758 HydrophobicContact CE2-CG 4.14Å; F754-F758 AromaticContact CG-CD2 3.9Å; F754-F758 HydrophobicContact CG-CD2 3.9Å; F754-F758 HydrophobicContact CG-CE2 4.47Å; F754-F758 HydrophobicContact CZ-CB 4.32Å; F754-F758 AromaticContact CZ-CD2 3.82Å; F754-F758 HydrophobicContact CZ-CD2 3.82Å; F754-F758 HydrophobicContact CZ-CG 4.3Å; F754-F758 WeakPolarHBondContact O-CB 3.49Å; F754-F758 WeakPolarHBondContact O-CD2 3.48Å; F754-F758 PolarHBondContact O-N 3.35Å; F758-A760 PolarHBondContact O-N 3.11Å; F758-I761 HydrophobicContact CD1-CD1 4.05Å; F758-I761 PolarHBondContact O-N 3.21Å; F758-H762 PolarHBondContact O-CD2 3.48Å; F758-H762 VanDerWaalsContact O-CD2 3.31Å; F758-H762 PolarHBondContact O-N 3.32Å
759	S	84	Confident	87.9	Confident	19 Å²	19	46.3 Å²	46.3	13%	0.133	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.7	173.4	54.6	0	0	0	0	112.1	L755 F756 I761 E811	L755-S759 WeakPolarHBondContact O-CA 3.18Å; L755-S759 WeakPolarHBondContact O-CB 3.34Å; L755-S759 PolarHBondContact O-N 3.13Å; F756-S759 PolarHBondContact O-OG 2.99Å; S759-I761 PolarHBondContact O-N 3.27Å; S759-E811 WeakPolarHBondContact CB-OE1 3.35Å; S759-E811 PolarHBondContact OG-OE1 2.84Å
760	A	80.8	Confident	87.8	Confident	64 Å²	64	44.9 Å²	44.9	53%	0.529	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.3	-178.6	0	0	0	0	0	114.3	F758 E811	F758-A760 PolarHBondContact O-N 3.11Å; A760-E811 VanDerWaalsContact CA-CD 3.4Å; A760-E811 VanDerWaalsContact CA-OE1 3.29Å; A760-E811 WeakPolarHBondContact CA-OE1 3.43Å; A760-E811 WeakPolarHBondContact CA-OE2 3.37Å; A760-E811 WeakPolarHBondContact CB-OE2 3.5Å; A760-E811 PolarHBondContact N-OE1 3.19Å
761	I	85.9	Confident	87.8	Confident	119 Å²	119	46.1 Å²	46.1	61%	0.61	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-26.6	-167	-49.4	-176.7	0	0	0	111.1	F758 S759	F758-I761 HydrophobicContact CD1-CD1 4.05Å; F758-I761 PolarHBondContact O-N 3.21Å; S759-I761 PolarHBondContact O-N 3.27Å
762	H	86.3	Confident	87.7	Confident	64 Å²	64	52.7 Å²	52.7	30%	0.296	28%	0.278	S	S	.	.			trans	-100	118.4	-173	-68.4	-53	0	0	0	112.1	F758 M765 M807	F758-H762 PolarHBondContact O-CD2 3.48Å; F758-H762 VanDerWaalsContact O-CD2 3.31Å; F758-H762 PolarHBondContact O-N 3.32Å; H762-M765 HydrophobicContact CB-CG 3.81Å; H762-M765 HydrophobicContact CB-SD 4.04Å; H762-M807 VanDerWaalsContact O-CB 3.24Å; H762-M807 WeakPolarHBondContact O-CB 3.44Å; H762-M807 WeakPolarHBondContact O-CG 3.43Å
763	D	86.2	Confident	87.7	Confident	86 Å²	86	53.8 Å²	53.8	46%	0.46	29%	0.29	S	S	.	.	S	Bend	trans	-75.4	-42.7	174.6	-72.6	6.4	0	0	0	112	M807 K809	D763-M807 PolarHBondContact O-N 3.41Å; D763-K809 WeakPolarHBondContact OD1-CE 3.25Å; D763-K809 IonicContact OD1-NZ 3.86Å; D763-K809 PolarHBondContact OD1-NZ 2.86Å; D763-K809 VanDerWaalsContact OD2-CE 3.23Å; D763-K809 WeakPolarHBondContact OD2-CE 3.48Å; D763-K809 IonicContact OD2-NZ 2.61Å; D763-K809 PolarHBondContact OD2-NZ 3.39Å
764	S	88.1	Confident	87.7	Confident	82 Å²	82	54.1 Å²	54.1	57%	0.573	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.1	176	61.8	0	0	0	0	111.4	L805	S764-L805 CarbonylContact C-O 3.59Å; S764-L805 WeakPolarHBondContact CA-O 3.31Å
765	M	87.1	Confident	87.7	Confident	23 Å²	23	57 Å²	57	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.6	179.2	-61.8	-167.2	76.7	0	0	110.1	F754 L755 H762 L770 A804 L805 M807	F754-M765 HydrophobicContact CE1-CE 3.75Å; F754-M765 HydrophobicContact CE1-SD 4.44Å; F754-M765 HydrophobicContact CZ-CE 4.43Å; L755-M765 HydrophobicContact CD2-SD 4.02Å; H762-M765 HydrophobicContact CB-CG 3.81Å; H762-M765 HydrophobicContact CB-SD 4.04Å; M765-L770 HydrophobicContact CE-CD2 3.62Å; M765-L770 HydrophobicContact CE-CG 4.29Å; M765-A804 CarbonylContact O-C 3.55Å; M765-A804 WeakPolarHBondContact O-CA 3Å; M765-L805 HydrophobicContact CB-CB 4.41Å; M765-L805 PolarHBondContact N-O 3.04Å; M765-L805 PolarHBondContact O-N 2.95Å; M765-M807 HydrophobicContact SD-CE 4.49Å
766	T	89.7	Confident	87.7	Confident	70 Å²	70	57.4 Å²	57.4	43%	0.429	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137	174	55.3	0	0	0	0	110.7	D768 R769 L770 D803	T766-D768 PolarHBondContact O-N 3.1Å; T766-R769 PolarHBondContact O-N 3.47Å; T766-R769 VanDerWaalsContact O-N 3.1Å; T766-R769 WeakPolarHBondContact OG1-CB 3.25Å; T766-L770 PolarHBondContact O-N 2.72Å; T766-D803 WeakPolarHBondContact CA-O 3.49Å
767	L	87.6	Confident	88	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-31.9	175.6	-66.7	178.8	0	0	0	111.5	R769 L770 S771 I781 Y782 I785 L798 D803	L767-R769 VanDerWaalsContact C-N 3.32Å; L767-R769 PolarHBondContact O-N 3.22Å; L767-L770 HydrophobicContact CD2-CD1 4.49Å; L767-L770 PolarHBondContact O-N 3.1Å; L767-S771 WeakPolarHBondContact O-CB 3.34Å; L767-S771 PolarHBondContact O-N 3.47Å; L767-I781 HydrophobicContact CD2-CG2 3.92Å; L767-Y782 HydrophobicContact CD1-CD2 4.23Å; L767-I785 HydrophobicContact CD2-CD1 3.54Å; L767-L798 HydrophobicContact CD1-CD1 4.09Å; L767-L798 HydrophobicContact CD2-CD1 4.3Å; L767-L798 HydrophobicContact CG-CD1 4.3Å; L767-D803 HydrophobicContact CB-CB 4.32Å; L767-D803 HydrophobicContact CD1-CB 4.17Å; L767-D803 HydrophobicContact CG-CB 4.46Å; L767-D803 WeakPolarHBondContact CG-O 3.36Å; L767-D803 PolarHBondContact N-O 3.46Å
768	D	89.3	Confident	88.1	Confident	61 Å²	61	62.3 Å²	62.3	33%	0.326	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.9	-72.4	25	0	0	0	111.5	T766 S771 M772 K778	T766-D768 PolarHBondContact O-N 3.1Å; D768-S771 PolarHBondContact O-N 2.74Å; D768-M772 WeakPolarHBondContact O-CG 3.39Å; D768-M772 PolarHBondContact O-N 2.82Å; D768-K778 WeakPolarHBondContact OD1-CE 2.91Å; D768-K778 IonicContact OD1-NZ 3.57Å; D768-K778 PolarHBondContact OD1-NZ 3.39Å; D768-K778 IonicContact OD2-NZ 2.88Å; D768-K778 PolarHBondContact OD2-NZ 3.5Å
769	R	89.9	Confident	88.4	Confident	153 Å²	153	63.5 Å²	63.5	58%	0.577	35%	0.35	S	S	*	.	H	α-helix	trans	-68.2	-41.9	176.8	-173.7	59.5	176.9	-173.9	1.8	111.1	T766 L767 S771 M772 C773	T766-R769 PolarHBondContact O-N 3.47Å; T766-R769 VanDerWaalsContact O-N 3.1Å; T766-R769 WeakPolarHBondContact OG1-CB 3.25Å; L767-R769 VanDerWaalsContact C-N 3.32Å; L767-R769 PolarHBondContact O-N 3.22Å; R769-S771 VanDerWaalsContact C-N 3.32Å; R769-S771 PolarHBondContact O-N 3.03Å; R769-M772 PolarHBondContact O-N 2.99Å; R769-C773 WeakPolarHBondContact O-CB 3.28Å; R769-C773 PolarHBondContact O-N 3.03Å; R769-C773 PolarHBondContact O-SG 3.21Å
770	L	90	Very high	88.7	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-40.7	174.9	-69.4	175.1	0	0	0	111.7	L751 M765 T766 L767 M772 C773 F774 I781 I785	L751-L770 HydrophobicContact CD1-CD1 4.48Å; L751-L770 HydrophobicContact CD1-CD2 3.95Å; M765-L770 HydrophobicContact CE-CD2 3.62Å; M765-L770 HydrophobicContact CE-CG 4.29Å; T766-L770 PolarHBondContact O-N 2.72Å; L767-L770 HydrophobicContact CD2-CD1 4.49Å; L767-L770 PolarHBondContact O-N 3.1Å; L770-M772 PolarHBondContact O-N 2.93Å; L770-C773 PolarHBondContact O-N 3.22Å; L770-F774 HydrophobicContact CD2-CD2 4.45Å; L770-F774 HydrophobicContact CD2-CE2 4.19Å; L770-F774 WeakPolarHBondContact O-CD2 3.45Å; L770-F774 PolarHBondContact O-N 2.99Å; L770-I781 HydrophobicContact CB-CD1 4.19Å; L770-I781 HydrophobicContact CB-CG2 4.22Å; L770-I781 HydrophobicContact CD1-CG2 4.32Å; L770-I785 HydrophobicContact CD1-CD1 3.88Å
771	S	91	Very high	89.2	Confident	27 Å²	27	61.2 Å²	61.2	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-42.6	175.9	-174.8	0	0	0	0	112.1	L767 D768 R769 E775 L776	L767-S771 WeakPolarHBondContact O-CB 3.34Å; L767-S771 PolarHBondContact O-N 3.47Å; D768-S771 PolarHBondContact O-N 2.74Å; R769-S771 VanDerWaalsContact C-N 3.32Å; R769-S771 PolarHBondContact O-N 3.03Å; S771-E775 VanDerWaalsContact O-CA 3.3Å; S771-E775 WeakPolarHBondContact O-CA 3.23Å; S771-E775 PolarHBondContact O-N 2.58Å; S771-L776 PolarHBondContact OG-O 3.27Å
772	M	91	Very high	89.5	Confident	138 Å²	138	60.3 Å²	60.3	68%	0.68	32%	0.318	S	S	*	.	H	α-helix	trans	-67.4	-38.6	174.6	-70.2	-179.3	-177.7	0	0	112.9	D768 R769 L770	D768-M772 WeakPolarHBondContact O-CG 3.39Å; D768-M772 PolarHBondContact O-N 2.82Å; R769-M772 PolarHBondContact O-N 2.99Å; L770-M772 PolarHBondContact O-N 2.93Å
773	C	89.1	Confident	89.7	Confident	57 Å²	57	59.7 Å²	59.7	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-72.5	-40.4	-177	-74.2	0	0	0	0	113.2	W712 R769 L770	W712-C773 PolarHBondContact NE1-O 3.43Å; R769-C773 WeakPolarHBondContact O-CB 3.28Å; R769-C773 PolarHBondContact O-N 3.03Å; R769-C773 PolarHBondContact O-SG 3.21Å; L770-C773 PolarHBondContact O-N 3.22Å
774	F	89.2	Confident	89.9	Confident	7 Å²	7	55.9 Å²	55.9	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-100	-4.2	-176.4	-69.4	-83.7	0	0	0	113.9	W712 K747 L751 F754 L770 L776	W712-F774 AromaticContact CD1-CD1 3.5Å; W712-F774 AromaticContact CD1-CE1 3.9Å; W712-F774 HydrophobicContact CG-CD1 4.26Å; K747-F774 WeakPolarHBondContact CD-O 3.35Å; L751-F774 HydrophobicContact CB-CD1 4.16Å; L751-F774 HydrophobicContact CB-CD2 4.4Å; L751-F774 HydrophobicContact CB-CE1 4.19Å; L751-F774 HydrophobicContact CB-CE2 4.43Å; L751-F774 HydrophobicContact CB-CG 4.27Å; L751-F774 HydrophobicContact CB-CZ 4.34Å; L751-F774 HydrophobicContact CD1-CD2 3.71Å; L751-F774 HydrophobicContact CD1-CE2 3.63Å; L751-F774 HydrophobicContact CD1-CG 4.37Å; L751-F774 HydrophobicContact CD1-CZ 4.24Å; F754-F774 HydrophobicContact CB-CZ 3.74Å; F754-F774 HydrophobicContact CD1-CE2 4.3Å; F754-F774 HydrophobicContact CD1-CZ 4.26Å; F754-F774 HydrophobicContact CD2-CZ 4.31Å; F754-F774 HydrophobicContact CG-CE2 4.31Å; F754-F774 AromaticContact CG-CZ 3.83Å; F754-F774 HydrophobicContact CG-CZ 3.83Å; L770-F774 HydrophobicContact CD2-CD2 4.45Å; L770-F774 HydrophobicContact CD2-CE2 4.19Å; L770-F774 WeakPolarHBondContact O-CD2 3.45Å; L770-F774 PolarHBondContact O-N 2.99Å; F774-L776 HydrophobicContact CB-CD1 4.33Å; F774-L776 HydrophobicContact CB-CG 4.35Å; F774-L776 PolarHBondContact O-N 3.27Å
775	E	90.7	Very high	90.1	Very high	102 Å²	102	52 Å²	52	48%	0.477	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	37.3	-178.6	-61.2	170.5	-161.3	0	0	111.9	W712 K713 S771	W712-E775 HydrophobicContact CH2-CG 4.5Å; W712-E775 WeakPolarHBondContact CH2-OE2 3.2Å; W712-E775 HydrophobicContact CZ2-CB 4.19Å; W712-E775 VanDerWaalsContact CZ2-CD 3.48Å; W712-E775 HydrophobicContact CZ2-CG 3.96Å; K713-E775 WeakPolarHBondContact CE-OE1 3.49Å; K713-E775 IonicContact NZ-OE1 3.48Å; K713-E775 PolarHBondContact NZ-OE1 3.42Å; S771-E775 VanDerWaalsContact O-CA 3.3Å; S771-E775 WeakPolarHBondContact O-CA 3.23Å; S771-E775 PolarHBondContact O-N 2.58Å
776	L	89.2	Confident	90.2	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	28%	0.277	C	S	.	.			trans	-110.2	146.8	178.4	-73.9	177.1	0	0	0	111.2	K747 E748 S771 F774 I781	K747-L776 HydrophobicContact CB-CD1 3.87Å; K747-L776 HydrophobicContact CB-CD2 3.92Å; K747-L776 HydrophobicContact CB-CG 3.94Å; K747-L776 HydrophobicContact CD-CD2 4.05Å; K747-L776 HydrophobicContact CD-CG 4.37Å; E748-L776 HydrophobicContact CG-CD1 4.45Å; S771-L776 PolarHBondContact OG-O 3.27Å; F774-L776 HydrophobicContact CB-CD1 4.33Å; F774-L776 HydrophobicContact CB-CG 4.35Å; F774-L776 PolarHBondContact O-N 3.27Å; L776-I781 HydrophobicContact CB-CD1 3.97Å; L776-I781 HydrophobicContact CB-CG1 3.85Å; L776-I781 HydrophobicContact CD1-CG1 4.44Å
777	P	91.5	Very high	90.3	Very high	74 Å²	74	56 Å²	56	48%	0.481	28%	0.283	S	S	.	.			trans	-58.4	141.1	172.2	-21.4	32	0	0	0	111.6	S779 V780 I781	P777-S779 PolarHBondContact O-N 2.98Å; P777-S779 VanDerWaalsContact O-N 3.1Å; P777-V780 HydrophobicContact CB-CG2 4.27Å; P777-V780 HydrophobicContact CG-CG2 4.23Å; P777-V780 PolarHBondContact O-N 3.03Å; P777-I781 PolarHBondContact O-N 2.91Å
778	K	88.2	Confident	90.2	Very high	88 Å²	88	55.9 Å²	55.9	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-53.2	-34.6	177.6	-62.4	-170.9	-172.7	-169	0	112.5	D768 I781 Y782	D768-K778 WeakPolarHBondContact OD1-CE 2.91Å; D768-K778 IonicContact OD1-NZ 3.57Å; D768-K778 PolarHBondContact OD1-NZ 3.39Å; D768-K778 IonicContact OD2-NZ 2.88Å; D768-K778 PolarHBondContact OD2-NZ 3.5Å; K778-I781 PolarHBondContact O-N 3.4Å; K778-Y782 WeakPolarHBondContact O-CB 3.05Å; K778-Y782 PolarHBondContact O-N 3.09Å
779	S	90.8	Very high	90.2	Very high	84 Å²	84	55.2 Å²	55.2	59%	0.587	28%	0.279	S	S	*	.	H	α-helix	trans	-62.5	-42.1	177.7	53.6	0	0	0	0	113.2	P777 S783	P777-S779 PolarHBondContact O-N 2.98Å; P777-S779 VanDerWaalsContact O-N 3.1Å; S779-S783 WeakPolarHBondContact O-CB 3.29Å; S779-S783 PolarHBondContact O-N 3.38Å
780	V	91.3	Very high	90.3	Very high	35 Å²	35	54.3 Å²	54.3	21%	0.212	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-47.9	178.5	179	0	0	0	0	109.4	E748 P777 Y782 S783 V784	E748-V780 HydrophobicContact CG-CG1 4.14Å; E748-V780 WeakPolarHBondContact OE1-CG1 3.49Å; P777-V780 HydrophobicContact CB-CG2 4.27Å; P777-V780 HydrophobicContact CG-CG2 4.23Å; P777-V780 PolarHBondContact O-N 3.03Å; V780-Y782 VanDerWaalsContact C-N 3.35Å; V780-Y782 PolarHBondContact O-N 2.93Å; V780-S783 PolarHBondContact O-N 3.25Å; V780-S783 VanDerWaalsContact O-N 3.1Å; V780-S783 PolarHBondContact O-OG 2.92Å; V780-V784 HydrophobicContact CG1-CG2 4.35Å; V780-V784 WeakPolarHBondContact O-CG2 3.21Å; V780-V784 PolarHBondContact O-N 3.02Å
781	I	91.6	Very high	90.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-47.7	177.6	-63.9	176.8	0	0	0	110.8	L751 L767 L770 L776 P777 K778 S783 V784 I785	L751-I781 HydrophobicContact CD2-CB 4.42Å; L751-I781 HydrophobicContact CD2-CG1 4.1Å; L751-I781 HydrophobicContact CD2-CG2 4.15Å; L767-I781 HydrophobicContact CD2-CG2 3.92Å; L770-I781 HydrophobicContact CB-CD1 4.19Å; L770-I781 HydrophobicContact CB-CG2 4.22Å; L770-I781 HydrophobicContact CD1-CG2 4.32Å; L776-I781 HydrophobicContact CB-CD1 3.97Å; L776-I781 HydrophobicContact CB-CG1 3.85Å; L776-I781 HydrophobicContact CD1-CG1 4.44Å; P777-I781 PolarHBondContact O-N 2.91Å; K778-I781 PolarHBondContact O-N 3.4Å; I781-S783 VanDerWaalsContact C-N 3.3Å; I781-S783 PolarHBondContact O-N 3.31Å; I781-V784 PolarHBondContact O-N 3Å; I781-I785 HydrophobicContact CG2-CD1 3.57Å; I781-I785 HydrophobicContact CG2-CG1 4.34Å; I781-I785 WeakPolarHBondContact O-CB 3.12Å; I781-I785 WeakPolarHBondContact O-CG1 3.41Å; I781-I785 PolarHBondContact O-N 2.83Å
782	Y	91.1	Very high	89.8	Confident	100 Å²	100	65.7 Å²	65.7	39%	0.392	34%	0.337	S	S	.	.	H	α-helix	trans	-56	-45.6	175.6	-177.4	-82.9	0	0	0	111.4	L767 K778 V780 C786 L798	L767-Y782 HydrophobicContact CD1-CD2 4.23Å; K778-Y782 WeakPolarHBondContact O-CB 3.05Å; K778-Y782 PolarHBondContact O-N 3.09Å; V780-Y782 VanDerWaalsContact C-N 3.35Å; V780-Y782 PolarHBondContact O-N 2.93Å; Y782-C786 WeakPolarHBondContact CE1-SG 3.39Å; Y782-C786 VanDerWaalsContact O-CB 3.25Å; Y782-C786 WeakPolarHBondContact O-CB 3.4Å; Y782-C786 PolarHBondContact O-N 2.9Å; Y782-C786 PolarHBondContact O-SG 3.21Å; Y782-L798 HydrophobicContact CD2-CD2 3.45Å; Y782-L798 VanDerWaalsContact CD2-CD2 3.45Å; Y782-L798 HydrophobicContact CE2-CD2 3.13Å; Y782-L798 HydrophobicContact CE2-CG 4.38Å; Y782-L798 HydrophobicContact CG-CD2 4.42Å
783	S	91.3	Very high	89.3	Confident	50 Å²	50	62.7 Å²	62.7	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-39.3	179.7	78	0	0	0	0	113	S779 V780 I781 R787	S779-S783 WeakPolarHBondContact O-CB 3.29Å; S779-S783 PolarHBondContact O-N 3.38Å; V780-S783 PolarHBondContact O-N 3.25Å; V780-S783 VanDerWaalsContact O-N 3.1Å; V780-S783 PolarHBondContact O-OG 2.92Å; I781-S783 VanDerWaalsContact C-N 3.3Å; I781-S783 PolarHBondContact O-N 3.31Å; S783-R787 WeakPolarHBondContact O-CB 3.42Å; S783-R787 PolarHBondContact O-N 3.28Å
784	V	90.9	Very high	89	Confident	6 Å²	6	60.4 Å²	60.4	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-47.2	179.2	172.1	0	0	0	0	110.2	E748 L751 R752 V780 I781 R787 M788	E748-V784 HydrophobicContact CG-CG2 4.4Å; L751-V784 HydrophobicContact CD2-CG1 4.31Å; R752-V784 HydrophobicContact CG-CG1 3.63Å; V780-V784 HydrophobicContact CG1-CG2 4.35Å; V780-V784 WeakPolarHBondContact O-CG2 3.21Å; V780-V784 PolarHBondContact O-N 3.02Å; I781-V784 PolarHBondContact O-N 3Å; V784-R787 PolarHBondContact O-N 3.26Å; V784-M788 HydrophobicContact CG1-SD 4.34Å; V784-M788 WeakPolarHBondContact O-CG 3.32Å; V784-M788 PolarHBondContact O-N 3.41Å
785	I	91	Very high	88.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-46.2	178.2	-67.1	170.7	0	0	0	110.8	L755 L767 L770 I781 R787 M788 I789 L805	L755-I785 HydrophobicContact CD1-CD1 4.42Å; L755-I785 HydrophobicContact CD1-CG1 3.9Å; L767-I785 HydrophobicContact CD2-CD1 3.54Å; L770-I785 HydrophobicContact CD1-CD1 3.88Å; I781-I785 HydrophobicContact CG2-CD1 3.57Å; I781-I785 HydrophobicContact CG2-CG1 4.34Å; I781-I785 WeakPolarHBondContact O-CB 3.12Å; I781-I785 WeakPolarHBondContact O-CG1 3.41Å; I781-I785 PolarHBondContact O-N 2.83Å; I785-R787 VanDerWaalsContact C-N 3.26Å; I785-R787 PolarHBondContact O-N 2.86Å; I785-M788 WeakPolarHBondContact O-CB 3.36Å; I785-M788 PolarHBondContact O-N 2.7Å; I785-M788 VanDerWaalsContact O-N 3.09Å; I785-I789 HydrophobicContact CG2-CD1 3.81Å; I785-I789 HydrophobicContact CG2-CG1 4.39Å; I785-I789 WeakPolarHBondContact O-CG1 3.47Å; I785-I789 PolarHBondContact O-N 3.1Å; I785-L805 HydrophobicContact CD1-CD2 4.39Å; I785-L805 HydrophobicContact CG2-CD1 3.7Å; I785-L805 HydrophobicContact CG2-CD2 4.38Å
786	C	90	Very high	88.6	Confident	30 Å²	30	57.9 Å²	57.9	20%	0.203	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-40.6	175.8	-75.8	0	0	0	0	111.7	Y782 I789 I790	Y782-C786 WeakPolarHBondContact CE1-SG 3.39Å; Y782-C786 VanDerWaalsContact O-CB 3.25Å; Y782-C786 WeakPolarHBondContact O-CB 3.4Å; Y782-C786 PolarHBondContact O-N 2.9Å; Y782-C786 PolarHBondContact O-SG 3.21Å; C786-I789 PolarHBondContact O-N 3Å; C786-I790 WeakPolarHBondContact O-CB 3.25Å; C786-I790 VanDerWaalsContact O-CG1 3.24Å; C786-I790 WeakPolarHBondContact O-CG1 3.32Å; C786-I790 PolarHBondContact O-N 2.95Å
787	R	91.3	Very high	88.5	Confident	148 Å²	148	59.4 Å²	59.4	56%	0.558	32%	0.315	S	S	*	.	H	α-helix	trans	-63.7	-41.3	175.7	-169	-180	-64.7	154.4	2.3	111.8	S783 V784 I785 I790 N791	S783-R787 WeakPolarHBondContact O-CB 3.42Å; S783-R787 PolarHBondContact O-N 3.28Å; V784-R787 PolarHBondContact O-N 3.26Å; I785-R787 VanDerWaalsContact C-N 3.26Å; I785-R787 PolarHBondContact O-N 2.86Å; R787-I790 PolarHBondContact O-N 2.58Å; R787-N791 WeakPolarHBondContact O-CB 3.49Å; R787-N791 VanDerWaalsContact O-CG 3.24Å; R787-N791 PolarHBondContact O-N 3.23Å
788	M	86.6	Confident	88.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-40.9	175	-70	171.7	77.2	0	0	112.4	R752 L755 F756 V784 I785 Q792 E793 L794	R752-M788 HydrophobicContact CB-SD 4.42Å; R752-M788 HydrophobicContact CG-CG 4.5Å; R752-M788 HydrophobicContact CG-SD 3.83Å; L755-M788 HydrophobicContact CB-CE 3.91Å; L755-M788 HydrophobicContact CD1-CE 4.22Å; L755-M788 HydrophobicContact CD1-SD 3.9Å; F756-M788 HydrophobicContact CD1-CE 3.95Å; F756-M788 HydrophobicContact CD2-CE 4.43Å; F756-M788 HydrophobicContact CE1-CE 3.4Å; F756-M788 VanDerWaalsContact CE1-CE 3.4Å; F756-M788 HydrophobicContact CE2-CE 3.97Å; F756-M788 HydrophobicContact CG-CE 4.42Å; F756-M788 HydrophobicContact CZ-CE 3.41Å; F756-M788 VanDerWaalsContact CZ-CE 3.41Å; V784-M788 HydrophobicContact CG1-SD 4.34Å; V784-M788 WeakPolarHBondContact O-CG 3.32Å; V784-M788 PolarHBondContact O-N 3.41Å; I785-M788 WeakPolarHBondContact O-CB 3.36Å; I785-M788 PolarHBondContact O-N 2.7Å; I785-M788 VanDerWaalsContact O-N 3.09Å; M788-Q792 PolarHBondContact O-N 3.41Å; M788-E793 PolarHBondContact O-N 2.93Å; M788-L794 HydrophobicContact CB-CB 4.12Å; M788-L794 HydrophobicContact CE-CB 4.24Å; M788-L794 HydrophobicContact CE-CD2 4.38Å; M788-L794 PolarHBondContact O-N 2.94Å
789	I	89.3	Confident	88.2	Confident	48 Å²	48	57.4 Å²	57.4	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-44.6	178.8	-64.7	168.7	0	0	0	110.6	I785 C786 N791 Q792 L798 L805	I785-I789 HydrophobicContact CG2-CD1 3.81Å; I785-I789 HydrophobicContact CG2-CG1 4.39Å; I785-I789 WeakPolarHBondContact O-CG1 3.47Å; I785-I789 PolarHBondContact O-N 3.1Å; C786-I789 PolarHBondContact O-N 3Å; I789-N791 VanDerWaalsContact C-N 3.34Å; I789-N791 PolarHBondContact O-N 2.92Å; I789-Q792 PolarHBondContact O-N 2.71Å; I789-L798 HydrophobicContact CD1-CB 4.47Å; I789-L805 HydrophobicContact CD1-CD1 4.23Å
790	I	91.4	Very high	87.7	Confident	134 Å²	134	58.1 Å²	58.1	69%	0.687	30%	0.302	S	S	*	.	H	α-helix	trans	-63.1	-41.1	178.9	-69.3	165.5	0	0	0	111.2	C786 R787 Q792	C786-I790 WeakPolarHBondContact O-CB 3.25Å; C786-I790 VanDerWaalsContact O-CG1 3.24Å; C786-I790 WeakPolarHBondContact O-CG1 3.32Å; C786-I790 PolarHBondContact O-N 2.95Å; R787-I790 PolarHBondContact O-N 2.58Å; I790-Q792 PolarHBondContact O-N 3.36Å
791	N	87.8	Confident	87.2	Confident	90 Å²	90	62.1 Å²	62.1	48%	0.481	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.2	177	-70.1	-2.7	0	0	0	113.3	R787 I789 E793	R787-N791 WeakPolarHBondContact O-CB 3.49Å; R787-N791 VanDerWaalsContact O-CG 3.24Å; R787-N791 PolarHBondContact O-N 3.23Å; I789-N791 VanDerWaalsContact C-N 3.34Å; I789-N791 PolarHBondContact O-N 2.92Å; N791-E793 HydrophobicContact CB-CG 3.75Å; N791-E793 VanDerWaalsContact CB-OE1 3.32Å; N791-E793 WeakPolarHBondContact CB-OE1 3.43Å; N791-E793 PolarHBondContact ND2-OE1 3.38Å; N791-E793 PolarHBondContact O-N 3.49Å
792	Q	81.8	Confident	86.4	Confident	179 Å²	179	65.1 Å²	65.1	84%	0.836	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	24.5	-175.7	-53.8	179.7	-0.9	0	0	113.7	M788 I789 I790	M788-Q792 PolarHBondContact O-N 3.41Å; I789-Q792 PolarHBondContact O-N 2.71Å; I790-Q792 PolarHBondContact O-N 3.36Å
793	E	81.7	Confident	86.1	Confident	74 Å²	74	63.4 Å²	63.4	35%	0.346	35%	0.347	S	S	.	.			trans	-78.5	-33.2	178.2	-64.2	168.1	-162.3	0	0	110.9	R752 F756 M788 N791	R752-E793 IonicContact CZ-OE2 2.81Å; R752-E793 IonicContact NH1-OE2 3.45Å; R752-E793 PolarHBondContact NH1-OE2 3.2Å; R752-E793 IonicContact NH2-OE1 3.64Å; R752-E793 IonicContact NH2-OE2 2.69Å; R752-E793 PolarHBondContact NH2-OE2 3.35Å; F756-E793 HydrophobicContact CE1-CB 3.78Å; F756-E793 HydrophobicContact CZ-CB 3.88Å; M788-E793 PolarHBondContact O-N 2.93Å; N791-E793 HydrophobicContact CB-CG 3.75Å; N791-E793 VanDerWaalsContact CB-OE1 3.32Å; N791-E793 WeakPolarHBondContact CB-OE1 3.43Å; N791-E793 PolarHBondContact ND2-OE1 3.38Å; N791-E793 PolarHBondContact O-N 3.49Å
794	L	82.5	Confident	85.9	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.047	34%	0.335	C	S	.	.	S	Bend	trans	-122.2	120.8	-178.2	-174.3	70.6	0	0	0	110.5	M788 A796 L805 M807	M788-L794 HydrophobicContact CB-CB 4.12Å; M788-L794 HydrophobicContact CE-CB 4.24Å; M788-L794 HydrophobicContact CE-CD2 4.38Å; M788-L794 PolarHBondContact O-N 2.94Å; L794-A796 HydrophobicContact CD2-CB 3.81Å; L794-A796 HydrophobicContact CG-CB 3.82Å; L794-A796 PolarHBondContact O-N 2.81Å; L794-L805 HydrophobicContact CD2-CD2 4.18Å; L794-M807 HydrophobicContact CD1-CE 4.03Å; L794-M807 HydrophobicContact CD1-SD 4.19Å; L794-M807 HydrophobicContact CD2-CE 4.18Å; L794-M807 HydrophobicContact CD2-SD 4.22Å; L794-M807 HydrophobicContact CG-SD 4.34Å
795	A	84	Confident	85.7	Confident	49 Å²	49	61.3 Å²	61.3	41%	0.405	33%	0.334	S	S	.	.			trans	-78	71.1	175.3	0	0	0	0	0	110.9	H808 T810	A795-H808 HydrophobicContact CB-CB 4.47Å; A795-H808 WeakPolarHBondContact O-CB 3.38Å; A795-H808 PolarHBondContact O-N 3.49Å; A795-T810 WeakPolarHBondContact CB-OG1 3.37Å
796	A	86.7	Confident	85.6	Confident	7 Å²	7	64.3 Å²	64.3	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.9	-178.4	0	0	0	0	0	111.9	L794 L805 I806 M807	L794-A796 HydrophobicContact CD2-CB 3.81Å; L794-A796 HydrophobicContact CG-CB 3.82Å; L794-A796 PolarHBondContact O-N 2.81Å; A796-L805 HydrophobicContact CB-CD1 3.52Å; A796-L805 HydrophobicContact CB-CG 4.08Å; A796-I806 CarbonylContact C-O 3.45Å; A796-I806 VanDerWaalsContact CA-O 3.32Å; A796-I806 WeakPolarHBondContact CA-O 3.21Å; A796-M807 HydrophobicContact CB-SD 3.44Å; A796-M807 WeakPolarHBondContact CB-SD 3.23Å
797	S	86.9	Confident	85.4	Confident	43 Å²	43	63.6 Å²	63.6	30%	0.301	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.9	171.5	52.8	0	0	0	0	109.9	I806 H808	S797-I806 PolarHBondContact N-O 3.15Å; S797-I806 PolarHBondContact O-N 2.85Å; S797-H808 WeakPolarHBondContact CB-NE2 3.3Å; S797-H808 PolarHBondContact OG-CE1 3.26Å; S797-H808 PolarHBondContact OG-NE2 3.44Å
798	L	87.1	Confident	85.1	Confident	35 Å²	35	60.8 Å²	60.8	18%	0.183	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.9	178.7	-173.3	64.8	0	0	0	109.6	L767 Y782 I789 V800 L805	L767-L798 HydrophobicContact CD1-CD1 4.09Å; L767-L798 HydrophobicContact CD2-CD1 4.3Å; L767-L798 HydrophobicContact CG-CD1 4.3Å; Y782-L798 HydrophobicContact CD2-CD2 3.45Å; Y782-L798 VanDerWaalsContact CD2-CD2 3.45Å; Y782-L798 HydrophobicContact CE2-CD2 3.13Å; Y782-L798 HydrophobicContact CE2-CG 4.38Å; Y782-L798 HydrophobicContact CG-CD2 4.42Å; I789-L798 HydrophobicContact CD1-CB 4.47Å; L798-V800 PolarHBondContact O-N 3.3Å; L798-L805 HydrophobicContact CD1-CB 4.47Å
799	E	87.6	Confident	84.4	Confident	84 Å²	84	68.3 Å²	68.3	39%	0.393	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	105.1	174.6	-176.6	175	-148.2	0	0	109.7	S802 D803 A804 I806	E799-S802 PolarHBondContact O-N 3.21Å; E799-S802 VanDerWaalsContact OE2-CB 3.22Å; E799-S802 WeakPolarHBondContact OE2-CB 3.45Å; E799-S802 PolarHBondContact OE2-OG 2.81Å; E799-D803 PolarHBondContact O-N 3.36Å; E799-A804 PolarHBondContact N-O 3.38Å; E799-I806 HydrophobicContact CB-CD1 4.14Å
800	V	79.3	Confident	83.7	Confident	99 Å²	99	70.8 Å²	70.8	60%	0.6	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-40.4	-175.9	-177.8	0	0	0	0	113.5	L798 S802	L798-V800 PolarHBondContact O-N 3.3Å; V800-S802 PolarHBondContact O-N 3.1Å
801	P	81.2	Confident	82.5	Confident	120 Å²	120	68.7 Å²	68.7	78%	0.779	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.2	178.8	-23.8	34.9	0	0	0	114.7
802	S	75.6	Confident	81.9	Confident	63 Å²	63	71.5 Å²	71.5	44%	0.441	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.1	-171.5	-58	0	0	0	0	113.4	E799 V800 A804	E799-S802 PolarHBondContact O-N 3.21Å; E799-S802 VanDerWaalsContact OE2-CB 3.22Å; E799-S802 WeakPolarHBondContact OE2-CB 3.45Å; E799-S802 PolarHBondContact OE2-OG 2.81Å; V800-S802 PolarHBondContact O-N 3.1Å; S802-A804 PolarHBondContact O-N 3.43Å; S802-A804 VanDerWaalsContact O-N 3.1Å
803	D	84.2	Confident	81.9	Confident	63 Å²	63	66.2 Å²	66.2	34%	0.337	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	39.2	-167.7	-79.8	-19.3	0	0	0	111.6	T766 L767 E799	T766-D803 WeakPolarHBondContact CA-O 3.49Å; L767-D803 HydrophobicContact CB-CB 4.32Å; L767-D803 HydrophobicContact CD1-CB 4.17Å; L767-D803 HydrophobicContact CG-CB 4.46Å; L767-D803 WeakPolarHBondContact CG-O 3.36Å; L767-D803 PolarHBondContact N-O 3.46Å; E799-D803 PolarHBondContact O-N 3.36Å
804	A	86.8	Confident	81.9	Confident	13 Å²	13	72.5 Å²	72.5	11%	0.107	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.5	-175	0	0	0	0	0	110.6	M765 E799 S802	M765-A804 CarbonylContact O-C 3.55Å; M765-A804 WeakPolarHBondContact O-CA 3Å; E799-A804 PolarHBondContact N-O 3.38Å; S802-A804 PolarHBondContact O-N 3.43Å; S802-A804 VanDerWaalsContact O-N 3.1Å
805	L	87.7	Confident	82.2	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.9	167.9	-178.3	66.6	0	0	0	108.1	L755 S764 M765 I785 I789 L794 A796 L798 M807	L755-L805 HydrophobicContact CD2-CD2 4.15Å; S764-L805 CarbonylContact C-O 3.59Å; S764-L805 WeakPolarHBondContact CA-O 3.31Å; M765-L805 HydrophobicContact CB-CB 4.41Å; M765-L805 PolarHBondContact N-O 3.04Å; M765-L805 PolarHBondContact O-N 2.95Å; I785-L805 HydrophobicContact CD1-CD2 4.39Å; I785-L805 HydrophobicContact CG2-CD1 3.7Å; I785-L805 HydrophobicContact CG2-CD2 4.38Å; I789-L805 HydrophobicContact CD1-CD1 4.23Å; L794-L805 HydrophobicContact CD2-CD2 4.18Å; A796-L805 HydrophobicContact CB-CD1 3.52Å; A796-L805 HydrophobicContact CB-CG 4.08Å; L798-L805 HydrophobicContact CD1-CB 4.47Å; L805-M807 HydrophobicContact CD2-CE 3.69Å; L805-M807 HydrophobicContact CD2-SD 3.9Å; L805-M807 HydrophobicContact CG-CE 4.41Å; L805-M807 HydrophobicContact CG-SD 4.01Å
806	I	88.8	Confident	82.4	Confident	63 Å²	63	81.4 Å²	81.4	32%	0.323	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116	177.4	-58.4	173	0	0	0	107.5	A796 S797 E799	A796-I806 CarbonylContact C-O 3.45Å; A796-I806 VanDerWaalsContact CA-O 3.32Å; A796-I806 WeakPolarHBondContact CA-O 3.21Å; S797-I806 PolarHBondContact N-O 3.15Å; S797-I806 PolarHBondContact O-N 2.85Å; E799-I806 HydrophobicContact CB-CD1 4.14Å
807	M	85.2	Confident	82.3	Confident	14 Å²	14	81.7 Å²	81.7	7%	0.069	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.8	177.2	-57.3	-56.9	-153.4	0	0	109.6	L755 H762 D763 M765 L794 A796 L805	L755-M807 HydrophobicContact CD2-CE 4.1Å; H762-M807 VanDerWaalsContact O-CB 3.24Å; H762-M807 WeakPolarHBondContact O-CB 3.44Å; H762-M807 WeakPolarHBondContact O-CG 3.43Å; D763-M807 PolarHBondContact O-N 3.41Å; M765-M807 HydrophobicContact SD-CE 4.49Å; L794-M807 HydrophobicContact CD1-CE 4.03Å; L794-M807 HydrophobicContact CD1-SD 4.19Å; L794-M807 HydrophobicContact CD2-CE 4.18Å; L794-M807 HydrophobicContact CD2-SD 4.22Å; L794-M807 HydrophobicContact CG-SD 4.34Å; A796-M807 HydrophobicContact CB-SD 3.44Å; A796-M807 WeakPolarHBondContact CB-SD 3.23Å; L805-M807 HydrophobicContact CD2-CE 3.69Å; L805-M807 HydrophobicContact CD2-SD 3.9Å; L805-M807 HydrophobicContact CG-CE 4.41Å; L805-M807 HydrophobicContact CG-SD 4.01Å
808	H	84.4	Confident	82.3	Confident	90 Å²	90	83.9 Å²	83.9	42%	0.417	43%	0.428	S	S	.	.			trans	-79.4	122.9	168.7	-60.9	-66	0	0	0	107.9	A795 S797 T810	A795-H808 HydrophobicContact CB-CB 4.47Å; A795-H808 WeakPolarHBondContact O-CB 3.38Å; A795-H808 PolarHBondContact O-N 3.49Å; S797-H808 WeakPolarHBondContact CB-NE2 3.3Å; S797-H808 PolarHBondContact OG-CE1 3.26Å; S797-H808 PolarHBondContact OG-NE2 3.44Å; H808-T810 HydrophobicContact CB-CG2 4.12Å; H808-T810 PolarHBondContact O-N 2.78Å; H808-T810 PolarHBondContact O-OG1 3.41Å
809	K	73.7	Confident	82.5	Confident	158 Å²	158	84.9 Å²	84.9	69%	0.687	44%	0.441	S	S	*	.	S	Bend	trans	-69.8	38.4	176	-63.5	-172.4	178	-171.7	0	113.4	D763 E811	D763-K809 WeakPolarHBondContact OD1-CE 3.25Å; D763-K809 IonicContact OD1-NZ 3.86Å; D763-K809 PolarHBondContact OD1-NZ 2.86Å; D763-K809 VanDerWaalsContact OD2-CE 3.23Å; D763-K809 WeakPolarHBondContact OD2-CE 3.48Å; D763-K809 IonicContact OD2-NZ 2.61Å; D763-K809 PolarHBondContact OD2-NZ 3.39Å; K809-E811 PolarHBondContact O-N 2.84Å
810	T	73.1	Confident	82.4	Confident	100 Å²	100	84.3 Å²	84.3	61%	0.613	44%	0.44	S	S	*	.			trans	-85.7	6.6	178.6	50.1	0	0	0	0	112.3	A795 H808 R812	A795-T810 WeakPolarHBondContact CB-OG1 3.37Å; H808-T810 HydrophobicContact CB-CG2 4.12Å; H808-T810 PolarHBondContact O-N 2.78Å; H808-T810 PolarHBondContact O-OG1 3.41Å; T810-R812 PolarHBondContact O-N 3.23Å
811	E	67.4	Low	82.7	Confident	89 Å²	89	81.5 Å²	81.5	42%	0.416	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-61.8	136.3	175.2	-67.4	-166.2	-176.3	0	0	111.3	S759 A760 K809	S759-E811 WeakPolarHBondContact CB-OE1 3.35Å; S759-E811 PolarHBondContact OG-OE1 2.84Å; A760-E811 VanDerWaalsContact CA-CD 3.4Å; A760-E811 VanDerWaalsContact CA-OE1 3.29Å; A760-E811 WeakPolarHBondContact CA-OE1 3.43Å; A760-E811 WeakPolarHBondContact CA-OE2 3.37Å; A760-E811 WeakPolarHBondContact CB-OE2 3.5Å; A760-E811 PolarHBondContact N-OE1 3.19Å; K809-E811 PolarHBondContact O-N 2.84Å
812	R	74.4	Confident	83.1	Confident	149 Å²	149	81 Å²	81	56%	0.562	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-74.5	131.9	-174.5	-66.1	158.9	178.9	174.4	3.2	108.5	T810 Q816 L820	T810-R812 PolarHBondContact O-N 3.23Å; R812-Q816 HydrophobicContact CB-CB 4.06Å; R812-L820 VanDerWaalsContact CD-CD1 3.49Å; R812-L820 HydrophobicContact CG-CD1 4.37Å; R812-L820 VanDerWaalsContact CZ-CD1 3.44Å
813	S	82.7	Confident	83.9	Confident	69 Å²	69	80.8 Å²	80.8	48%	0.483	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-56.8	150.2	166.4	172	0	0	0	0	109.8	L815 Q816 A817	S813-L815 PolarHBondContact O-N 3.43Å; S813-Q816 CarbonylContact O-C 3.57Å; S813-Q816 WeakPolarHBondContact O-CA 3.38Å; S813-Q816 WeakPolarHBondContact O-CB 3.39Å; S813-Q816 PolarHBondContact O-N 2.94Å; S813-A817 PolarHBondContact O-N 2.87Å
814	R	81.6	Confident	84.1	Confident	206 Å²	206	80.6 Å²	80.6	78%	0.777	41%	0.408	S	S	*	.	H	α-helix	trans	-49.4	-36.5	175.3	-178.3	174.7	175.5	151.8	-0.3	112.3	A817 L818	R814-A817 PolarHBondContact O-N 3.43Å; R814-L818 HydrophobicContact CG-CD1 4.3Å; R814-L818 WeakPolarHBondContact O-CB 3.23Å; R814-L818 VanDerWaalsContact O-CG 3.28Å; R814-L818 WeakPolarHBondContact O-CG 2.76Å; R814-L818 PolarHBondContact O-N 3.39Å
815	L	88.8	Confident	84.2	Confident	137 Å²	137	85.5 Å²	85.5	72%	0.717	43%	0.427	S	S	*	.	H	α-helix	trans	-66	-43	175.2	-172.3	110.2	0	0	0	112.2	S813 L818 A819	S813-L815 PolarHBondContact O-N 3.43Å; L815-L818 PolarHBondContact O-N 2.83Å; L815-A819 VanDerWaalsContact O-CB 3.29Å; L815-A819 WeakPolarHBondContact O-CB 3.29Å; L815-A819 PolarHBondContact O-N 3.37Å
816	Q	87.8	Confident	84.5	Confident	108 Å²	108	88.9 Å²	88.9	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-66.1	-39.1	176.3	-68.3	171	-21.4	0	0	111.2	R812 S813 A819 L820	R812-Q816 HydrophobicContact CB-CB 4.06Å; S813-Q816 CarbonylContact O-C 3.57Å; S813-Q816 WeakPolarHBondContact O-CA 3.38Å; S813-Q816 WeakPolarHBondContact O-CB 3.39Å; S813-Q816 PolarHBondContact O-N 2.94Å; Q816-A819 PolarHBondContact O-N 2.86Å; Q816-L820 WeakPolarHBondContact O-CB 3.41Å; Q816-L820 WeakPolarHBondContact O-CG 3.35Å; Q816-L820 PolarHBondContact O-N 3.45Å
817	A	83.9	Confident	84.8	Confident	13 Å²	13	89.5 Å²	89.5	11%	0.107	45%	0.452	C	S	.	.	H	α-helix	trans	-62.1	-49.8	174	0	0	0	0	0	111.2	S813 R814 A819 L820 Q821	S813-A817 PolarHBondContact O-N 2.87Å; R814-A817 PolarHBondContact O-N 3.43Å; A817-A819 VanDerWaalsContact C-N 3.31Å; A817-A819 PolarHBondContact O-N 3.44Å; A817-L820 PolarHBondContact O-N 3.45Å; A817-Q821 VanDerWaalsContact O-CG 3.23Å; A817-Q821 WeakPolarHBondContact O-CG 3.01Å; A817-Q821 PolarHBondContact O-N 2.81Å
818	L	87	Confident	85.1	Confident	89 Å²	89	91.3 Å²	91.3	47%	0.466	47%	0.465	S	S	.	.	H	α-helix	trans	-60.8	-37.9	175.3	-71.7	174.5	0	0	0	112.4	R814 L815 Q821 L822	R814-L818 HydrophobicContact CG-CD1 4.3Å; R814-L818 WeakPolarHBondContact O-CB 3.23Å; R814-L818 VanDerWaalsContact O-CG 3.28Å; R814-L818 WeakPolarHBondContact O-CG 2.76Å; R814-L818 PolarHBondContact O-N 3.39Å; L815-L818 PolarHBondContact O-N 2.83Å; L818-Q821 PolarHBondContact O-N 3.04Å; L818-L822 WeakPolarHBondContact O-CB 3.24Å; L818-L822 PolarHBondContact O-N 3.38Å
819	A	91.1	Very high	85.5	Confident	56 Å²	56	91.3 Å²	91.3	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-66.5	-39.8	176.8	0	0	0	0	0	112.2	L815 Q816 A817 L822 S823	L815-A819 VanDerWaalsContact O-CB 3.29Å; L815-A819 WeakPolarHBondContact O-CB 3.29Å; L815-A819 PolarHBondContact O-N 3.37Å; Q816-A819 PolarHBondContact O-N 2.86Å; A817-A819 VanDerWaalsContact C-N 3.31Å; A817-A819 PolarHBondContact O-N 3.44Å; A819-L822 PolarHBondContact O-N 2.93Å; A819-S823 WeakPolarHBondContact O-CB 3.44Å; A819-S823 PolarHBondContact O-N 3.44Å
820	L	86.7	Confident	86.5	Confident	72 Å²	72	87 Å²	87	38%	0.377	45%	0.454	S	S	.	.	H	α-helix	trans	-66.6	-42.6	173.3	-75.4	165.2	0	0	0	111.7	R812 Q816 A817 L822 S823 D824	R812-L820 VanDerWaalsContact CD-CD1 3.49Å; R812-L820 HydrophobicContact CG-CD1 4.37Å; R812-L820 VanDerWaalsContact CZ-CD1 3.44Å; Q816-L820 WeakPolarHBondContact O-CB 3.41Å; Q816-L820 WeakPolarHBondContact O-CG 3.35Å; Q816-L820 PolarHBondContact O-N 3.45Å; A817-L820 PolarHBondContact O-N 3.45Å; L820-L822 VanDerWaalsContact C-N 3.3Å; L820-L822 PolarHBondContact O-N 2.88Å; L820-S823 WeakPolarHBondContact O-CB 3.32Å; L820-S823 PolarHBondContact O-N 2.98Å; L820-D824 PolarHBondContact O-N 3.24Å
821	Q	84.4	Confident	87.5	Confident	40 Å²	40	87.7 Å²	87.7	19%	0.187	45%	0.45	C	S	.	.	H	α-helix	trans	-60.3	-41.2	173.7	-69.2	170.9	6.4	0	0	111.7	T666 L668 A817 L818 D824 K825	T666-Q821 PolarHBondContact O-NE2 2.87Å; L668-Q821 HydrophobicContact CD1-CB 4.44Å; L668-Q821 HydrophobicContact CD1-CG 3.74Å; L668-Q821 VanDerWaalsContact CD1-OE1 3.26Å; A817-Q821 VanDerWaalsContact O-CG 3.23Å; A817-Q821 WeakPolarHBondContact O-CG 3.01Å; A817-Q821 PolarHBondContact O-N 2.81Å; L818-Q821 PolarHBondContact O-N 3.04Å; Q821-D824 PolarHBondContact O-N 2.89Å; Q821-K825 WeakPolarHBondContact O-CB 3.37Å; Q821-K825 WeakPolarHBondContact O-CG 3.49Å; Q821-K825 PolarHBondContact O-N 3.23Å
822	L	90.6	Very high	88.7	Confident	109 Å²	109	88.8 Å²	88.8	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-66.4	-42.2	175.3	-175	65.9	0	0	0	110.9	L818 A819 L820 D824 K825 V826	L818-L822 WeakPolarHBondContact O-CB 3.24Å; L818-L822 PolarHBondContact O-N 3.38Å; A819-L822 PolarHBondContact O-N 2.93Å; L820-L822 VanDerWaalsContact C-N 3.3Å; L820-L822 PolarHBondContact O-N 2.88Å; L822-D824 VanDerWaalsContact C-N 3.31Å; L822-D824 PolarHBondContact O-N 3.45Å; L822-K825 PolarHBondContact O-N 3.47Å; L822-V826 HydrophobicContact CG-CG2 4.39Å; L822-V826 WeakPolarHBondContact O-CB 3.24Å; L822-V826 VanDerWaalsContact O-CG2 3.25Å; L822-V826 WeakPolarHBondContact O-CG2 3.2Å; L822-V826 PolarHBondContact O-N 3.06Å
823	S	91.8	Very high	89.6	Confident	59 Å²	59	85.4 Å²	85.4	41%	0.413	45%	0.45	S	S	.	.	H	α-helix	trans	-58.7	-43.5	175	-173.3	0	0	0	0	111.6	A819 L820 V826 N827	A819-S823 WeakPolarHBondContact O-CB 3.44Å; A819-S823 PolarHBondContact O-N 3.44Å; L820-S823 WeakPolarHBondContact O-CB 3.32Å; L820-S823 PolarHBondContact O-N 2.98Å; S823-V826 PolarHBondContact O-N 3.35Å; S823-N827 WeakPolarHBondContact O-CB 3.35Å; S823-N827 VanDerWaalsContact O-CG 3.25Å; S823-N827 PolarHBondContact O-N 2.72Å; S823-N827 PolarHBondContact O-ND2 2.94Å
824	D	88.3	Confident	90.1	Very high	58 Å²	58	86.1 Å²	86.1	31%	0.31	45%	0.449	S	S	.	.	H	α-helix	trans	-64.3	-42.6	175.4	-87.3	-18.4	0	0	0	112.3	R669 L820 Q821 L822 N827 S828	R669-D824 IonicContact CZ-OD1 2.94Å; R669-D824 IonicContact CZ-OD2 3.66Å; R669-D824 IonicContact NE-OD1 2.72Å; R669-D824 IonicContact NE-OD2 3.76Å; R669-D824 PolarHBondContact NE-OD2 3.19Å; R669-D824 IonicContact NH2-OD1 2.89Å; R669-D824 PolarHBondContact NH2-OD1 3.04Å; R669-D824 IonicContact NH2-OD2 3.62Å; R669-D824 PolarHBondContact NH2-OD2 2.92Å; L820-D824 PolarHBondContact O-N 3.24Å; Q821-D824 PolarHBondContact O-N 2.89Å; L822-D824 VanDerWaalsContact C-N 3.31Å; L822-D824 PolarHBondContact O-N 3.45Å; D824-N827 PolarHBondContact O-N 2.94Å; D824-S828 PolarHBondContact O-N 2.91Å
825	K	89.7	Confident	90.6	Very high	117 Å²	117	82.7 Å²	82.7	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-63.7	-41.6	174.5	-78.5	-177.6	174.9	-174.5	0	111.8	Q821 L822 S828 I829	Q821-K825 WeakPolarHBondContact O-CB 3.37Å; Q821-K825 WeakPolarHBondContact O-CG 3.49Å; Q821-K825 PolarHBondContact O-N 3.23Å; L822-K825 PolarHBondContact O-N 3.47Å; K825-S828 PolarHBondContact O-N 2.81Å; K825-I829 VanDerWaalsContact O-CG1 3.23Å; K825-I829 WeakPolarHBondContact O-CG1 3.46Å; K825-I829 PolarHBondContact O-N 3.34Å
826	V	94.4	Very high	90.7	Very high	70 Å²	70	81 Å²	81	42%	0.424	43%	0.431	S	S	.	.	H	α-helix	trans	-62.3	-45	175.1	170	0	0	0	0	109.9	L822 S823 S828 I829 V830	L822-V826 HydrophobicContact CG-CG2 4.39Å; L822-V826 WeakPolarHBondContact O-CB 3.24Å; L822-V826 VanDerWaalsContact O-CG2 3.25Å; L822-V826 WeakPolarHBondContact O-CG2 3.2Å; L822-V826 PolarHBondContact O-N 3.06Å; S823-V826 PolarHBondContact O-N 3.35Å; V826-S828 VanDerWaalsContact C-N 3.34Å; V826-S828 PolarHBondContact O-N 2.94Å; V826-I829 PolarHBondContact O-N 3Å; V826-I829 VanDerWaalsContact O-N 3.15Å; V826-V830 HydrophobicContact CG1-CG2 4.37Å; V826-V830 VanDerWaalsContact O-CG2 3.29Å; V826-V830 WeakPolarHBondContact O-CG2 3.26Å; V826-V830 PolarHBondContact O-N 2.85Å
827	N	93.4	Very high	90.8	Very high	77 Å²	77	80.5 Å²	80.5	41%	0.412	43%	0.43	S	S	.	.	H	α-helix	trans	-59.9	-43.6	174.4	-72.1	-22.3	0	0	0	111.6	S823 D824 I829 V830 E831	S823-N827 WeakPolarHBondContact O-CB 3.35Å; S823-N827 VanDerWaalsContact O-CG 3.25Å; S823-N827 PolarHBondContact O-N 2.72Å; S823-N827 PolarHBondContact O-ND2 2.94Å; D824-N827 PolarHBondContact O-N 2.94Å; N827-I829 VanDerWaalsContact C-N 3.32Å; N827-I829 PolarHBondContact O-N 3.46Å; N827-V830 PolarHBondContact O-N 2.77Å; N827-E831 WeakPolarHBondContact O-CG 3.45Å; N827-E831 PolarHBondContact O-N 3.31Å
828	S	91.9	Very high	91	Very high	51 Å²	51	86.4 Å²	86.4	36%	0.357	46%	0.456	S	S	.	.	H	α-helix	trans	-62.5	-37.3	175	-177.3	0	0	0	0	112.6	D824 K825 V826 M832	D824-S828 PolarHBondContact O-N 2.91Å; K825-S828 PolarHBondContact O-N 2.81Å; V826-S828 VanDerWaalsContact C-N 3.34Å; V826-S828 PolarHBondContact O-N 2.94Å; S828-M832 VanDerWaalsContact O-CG 3.25Å; S828-M832 WeakPolarHBondContact O-CG 3.29Å; S828-M832 PolarHBondContact O-N 3.1Å
829	I	93.9	Very high	90.9	Very high	91 Å²	91	86.1 Å²	86.1	47%	0.467	46%	0.461	S	S	.	.	H	α-helix	trans	-69.3	-39.2	175.7	-69.6	162.9	0	0	0	110.3	K825 V826 N827 M832 N833	K825-I829 VanDerWaalsContact O-CG1 3.23Å; K825-I829 WeakPolarHBondContact O-CG1 3.46Å; K825-I829 PolarHBondContact O-N 3.34Å; V826-I829 PolarHBondContact O-N 3Å; V826-I829 VanDerWaalsContact O-N 3.15Å; N827-I829 VanDerWaalsContact C-N 3.32Å; N827-I829 PolarHBondContact O-N 3.46Å; I829-M832 PolarHBondContact O-N 3.47Å; I829-N833 WeakPolarHBondContact O-CB 3.48Å; I829-N833 PolarHBondContact O-N 2.94Å; I829-N833 PolarHBondContact O-ND2 2.82Å
830	V	94.4	Very high	90.2	Very high	67 Å²	67	93.1 Å²	93.1	41%	0.406	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-46.7	174.1	171.7	0	0	0	0	110	V826 N827 M832 N833 D834	V826-V830 HydrophobicContact CG1-CG2 4.37Å; V826-V830 VanDerWaalsContact O-CG2 3.29Å; V826-V830 WeakPolarHBondContact O-CG2 3.26Å; V826-V830 PolarHBondContact O-N 2.85Å; N827-V830 PolarHBondContact O-N 2.77Å; V830-M832 VanDerWaalsContact C-N 3.32Å; V830-M832 PolarHBondContact O-N 3.19Å; V830-N833 CarbonylContact O-C 3.56Å; V830-N833 WeakPolarHBondContact O-CB 3.46Å; V830-N833 PolarHBondContact O-N 3.38Å; V830-N833 VanDerWaalsContact O-N 3.1Å; V830-D834 PolarHBondContact O-N 3.16Å
831	E	93.7	Very high	89.3	Confident	114 Å²	114	93.7 Å²	93.7	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-60	-39.5	174.3	-72.8	176.5	-165.9	0	0	112.4	N827 K835	N827-E831 WeakPolarHBondContact O-CG 3.45Å; N827-E831 PolarHBondContact O-N 3.31Å; E831-K835 VanDerWaalsContact O-CG 3.3Å; E831-K835 WeakPolarHBondContact O-CG 3.39Å; E831-K835 PolarHBondContact O-N 2.94Å
832	M	93.3	Very high	88.1	Confident	112 Å²	112	95.1 Å²	95.1	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-41.1	173.6	-74	175.7	-177.1	0	0	111.6	S828 I829 V830 K835 L836	S828-M832 VanDerWaalsContact O-CG 3.25Å; S828-M832 WeakPolarHBondContact O-CG 3.29Å; S828-M832 PolarHBondContact O-N 3.1Å; I829-M832 PolarHBondContact O-N 3.47Å; V830-M832 VanDerWaalsContact C-N 3.32Å; V830-M832 PolarHBondContact O-N 3.19Å; M832-K835 PolarHBondContact O-N 2.81Å; M832-L836 VanDerWaalsContact O-CG 3.31Å; M832-L836 WeakPolarHBondContact O-CG 3.44Å; M832-L836 PolarHBondContact O-N 2.82Å
833	N	93	Very high	86.3	Confident	78 Å²	78	93.2 Å²	93.2	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-41.2	177	-72.3	-20.5	0	0	0	111.7	I829 V830 L836 I837	I829-N833 WeakPolarHBondContact O-CB 3.48Å; I829-N833 PolarHBondContact O-N 2.94Å; I829-N833 PolarHBondContact O-ND2 2.82Å; V830-N833 CarbonylContact O-C 3.56Å; V830-N833 WeakPolarHBondContact O-CB 3.46Å; V830-N833 PolarHBondContact O-N 3.38Å; V830-N833 VanDerWaalsContact O-N 3.1Å; N833-L836 CarbonylContact O-C 3.6Å; N833-L836 PolarHBondContact O-N 2.85Å; N833-I837 VanDerWaalsContact O-CG1 3.26Å; N833-I837 WeakPolarHBondContact O-CG1 3.42Å; N833-I837 PolarHBondContact O-N 3.43Å
834	D	93	Very high	84.5	Confident	85 Å²	85	97.5 Å²	97.5	46%	0.455	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-45.1	175.8	-73	-20.6	0	0	0	110.4	V830 L836 I837 E838	V830-D834 PolarHBondContact O-N 3.16Å; D834-L836 VanDerWaalsContact C-N 3.32Å; D834-L836 PolarHBondContact O-N 2.69Å; D834-I837 PolarHBondContact O-N 3.14Å; D834-I837 VanDerWaalsContact O-N 3.14Å; D834-E838 WeakPolarHBondContact O-CG 3.49Å; D834-E838 PolarHBondContact O-N 2.79Å
835	K	92.3	Very high	82.8	Confident	134 Å²	134	100.2 Å²	100.2	58%	0.583	56%	0.555	S	S	*	*	H	α-helix	trans	-59.2	-40.8	172.8	-73.7	173.7	-176.9	176.8	0	112.6	E831 M832 E838 S839	E831-K835 VanDerWaalsContact O-CG 3.3Å; E831-K835 WeakPolarHBondContact O-CG 3.39Å; E831-K835 PolarHBondContact O-N 2.94Å; M832-K835 PolarHBondContact O-N 2.81Å; K835-E838 PolarHBondContact O-N 2.98Å; K835-S839 WeakPolarHBondContact O-CB 3.39Å; K835-S839 PolarHBondContact O-N 2.89Å
836	L	90.7	Very high	80.7	Confident	102 Å²	102	98.3 Å²	98.3	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-66.6	-39.2	175.7	-74.2	171	0	0	0	111.6	M832 N833 D834 S839 R840	M832-L836 VanDerWaalsContact O-CG 3.31Å; M832-L836 WeakPolarHBondContact O-CG 3.44Å; M832-L836 PolarHBondContact O-N 2.82Å; N833-L836 CarbonylContact O-C 3.6Å; N833-L836 PolarHBondContact O-N 2.85Å; D834-L836 VanDerWaalsContact C-N 3.32Å; D834-L836 PolarHBondContact O-N 2.69Å; L836-S839 WeakPolarHBondContact CA-OG 3.42Å; L836-S839 PolarHBondContact O-N 3.34Å; L836-S839 PolarHBondContact O-OG 3.36Å; L836-R840 PolarHBondContact O-N 3.41Å
837	I	89	Confident	78.4	Confident	97 Å²	97	102.3 Å²	102.3	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-65.7	-43.5	176	-69.5	164.3	0	0	0	110.6	N833 D834 S839 R840 T841	N833-I837 VanDerWaalsContact O-CG1 3.26Å; N833-I837 WeakPolarHBondContact O-CG1 3.42Å; N833-I837 PolarHBondContact O-N 3.43Å; D834-I837 PolarHBondContact O-N 3.14Å; D834-I837 VanDerWaalsContact O-N 3.14Å; I837-S839 VanDerWaalsContact C-N 3.33Å; I837-S839 PolarHBondContact O-N 2.85Å; I837-R840 PolarHBondContact O-N 2.74Å; I837-T841 HydrophobicContact CG2-CG2 4.46Å; I837-T841 WeakPolarHBondContact O-CB 3.22Å; I837-T841 PolarHBondContact O-N 3.38Å; I837-T841 PolarHBondContact O-OG1 3.33Å
838	E	88.7	Confident	75.9	Confident	137 Å²	137	108.7 Å²	108.7	64%	0.64	61%	0.611	S	S	*	*	H	α-helix	trans	-59.6	-44.3	174.1	-73.8	178.4	174.6	0	0	110.9	D834 K835 R840 T841 G842	D834-E838 WeakPolarHBondContact O-CG 3.49Å; D834-E838 PolarHBondContact O-N 2.79Å; K835-E838 PolarHBondContact O-N 2.98Å; E838-R840 VanDerWaalsContact C-N 3.33Å; E838-R840 PolarHBondContact O-N 2.84Å; E838-T841 WeakPolarHBondContact CA-OG1 3.41Å; E838-T841 PolarHBondContact O-N 2.79Å; E838-T841 PolarHBondContact O-OG1 3.44Å; E838-G842 PolarHBondContact O-N 3.31Å
839	S	84.1	Confident	73.2	Confident	82 Å²	82	109.9 Å²	109.9	57%	0.573	63%	0.632	S	S	*	*	H	α-helix	trans	-64.2	-36.2	176.9	76.3	0	0	0	0	112.6	K835 L836 I837	K835-S839 WeakPolarHBondContact O-CB 3.39Å; K835-S839 PolarHBondContact O-N 2.89Å; L836-S839 WeakPolarHBondContact CA-OG 3.42Å; L836-S839 PolarHBondContact O-N 3.34Å; L836-S839 PolarHBondContact O-OG 3.36Å; I837-S839 VanDerWaalsContact C-N 3.33Å; I837-S839 PolarHBondContact O-N 2.85Å
840	R	76.3	Confident	70.4	Confident	203 Å²	203	110.1 Å²	110.1	77%	0.766	64%	0.641	S	S	*	*	H	α-helix	trans	-75.4	-37.8	176.3	-82	-173.2	173.7	-143.4	-0.9	113.1	L836 I837 E838 G843	L836-R840 PolarHBondContact O-N 3.41Å; I837-R840 PolarHBondContact O-N 2.74Å; E838-R840 VanDerWaalsContact C-N 3.33Å; E838-R840 PolarHBondContact O-N 2.84Å; R840-G843 PolarHBondContact O-N 3.27Å
841	T	68.2	Low	67.8	Low	84 Å²	84	115.1 Å²	115.1	52%	0.515	66%	0.66	S	S	.	*	H	α-helix	trans	-75.1	-26.2	179.8	41.5	0	0	0	0	112.3	I837 E838 G843 L844	I837-T841 HydrophobicContact CG2-CG2 4.46Å; I837-T841 WeakPolarHBondContact O-CB 3.22Å; I837-T841 PolarHBondContact O-N 3.38Å; I837-T841 PolarHBondContact O-OG1 3.33Å; E838-T841 WeakPolarHBondContact CA-OG1 3.41Å; E838-T841 PolarHBondContact O-N 2.79Å; E838-T841 PolarHBondContact O-OG1 3.44Å; T841-G843 PolarHBondContact O-N 3.17Å; T841-G843 VanDerWaalsContact O-N 3.16Å; T841-L844 PolarHBondContact O-N 3.5Å
842	G	58.5	Low	65.1	Low	70 Å²	70	114 Å²	114	72%	0.722	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-21.5	170.8	0	0	0	0	0	114.9	E838	E838-G842 PolarHBondContact O-N 3.31Å
843	G	54.3	Low	62.6	Low	70 Å²	70	119.4 Å²	119.4	72%	0.722	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-11.8	177.3	0	0	0	0	0	116	R840 T841	R840-G843 PolarHBondContact O-N 3.27Å; T841-G843 PolarHBondContact O-N 3.17Å; T841-G843 VanDerWaalsContact O-N 3.16Å
844	L	53.7	Low	60.1	Low	149 Å²	149	124.9 Å²	124.9	78%	0.78	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	-6.2	-168.1	-87.6	140.2	0	0	0	115.2	T841	T841-L844 PolarHBondContact O-N 3.5Å
845	S	52.3	Low	57.5	Low	114 Å²	114	124.6 Å²	124.6	80%	0.797	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	12	-177.9	-161.1	0	0	0	0	115.2
846	G	46.3	Very low	55	Low	77 Å²	77	124.5 Å²	124.5	79%	0.794	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-0.7	-177.5	0	0	0	0	0	116.8
847	L	44.8	Very low	52.6	Low	154 Å²	154	131.6 Å²	131.6	81%	0.806	75%	0.752	S	S	*	*	S	Bend	trans	-134.7	113.3	-172.8	-80.9	148.3	0	0	0	111.4
848	K	41.8	Very low	50.3	Low	212 Å²	212	137 Å²	137	92%	0.922	77%	0.765	S	S	*	*			trans	79.6	102.8	174.8	-54.4	173.5	177.2	175.6	0	113
849	G	34.9	Very low	48	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	78%	0.776	S	S	*	*			cis	87.5	120	40.7	0	0	0	0	0	109.5
850	S	35.2	Very low	46.3	Very low	96 Å²	96	139.3 Å²	139.3	67%	0.671	78%	0.782	S	S	*	*			trans	107.8	109.6	156.7	-155.9	0	0	0	0	117.3
851	Q	38.7	Very low	44.8	Very low	171 Å²	171	139.2 Å²	139.2	80%	0.799	79%	0.788	S	S	*	*			trans	91.9	107.8	133.4	-79	168.2	1.6	0	0	120.2
852	S	37.7	Very low	43.7	Very low	92 Å²	92	145.1 Å²	145.1	64%	0.643	82%	0.823	S	S	*	*			trans	68.6	113.9	131.2	60.5	0	0	0	0	118.6
853	Y	41.7	Very low	43	Very low	225 Å²	225	148.9 Å²	148.9	88%	0.882	83%	0.828	S	S	*	*				-174.5	124	94	-106.3	-88.1	0	0	0	110.4
854	Q	38.9	Very low	42.4	Very low	193 Å²	193	153.1 Å²	153.1	90%	0.902	83%	0.834	S	S	*	*			trans	-61.6	144.9	169.1	-72.5	167.7	-45.9	0	0	111
855	G	38.9	Very low	41.8	Very low	78 Å²	78	153.3 Å²	153.3	80%	0.804	84%	0.837	S	S	*	*			trans	-171.9	64.5	174.8	0	0	0	0	0	113.7
856	T	39.7	Very low	41.2	Very low	133 Å²	133	155.6 Å²	155.6	82%	0.816	84%	0.839	S	S	*	*			trans	-53.1	127.1	174.1	-27.9	0	0	0	0	112.7
857	R	42	Very low	40.8	Very low	251 Å²	251	160.5 Å²	160.5	95%	0.947	84%	0.842	S	S	*	*			trans	-148.9	104.5	146	-127.2	179.8	-175.7	-174.7	0.7	111.9
858	R	40.1	Very low	40.6	Very low	209 Å²	209	160.9 Å²	160.9	79%	0.789	85%	0.845	S	S	*	*			trans	-70.4	165.2	165.6	-92.7	-179.5	166.9	-178.8	-3.6	111.5
859	Q	40.1	Very low	40.5	Very low	183 Å²	183	157.3 Å²	157.3	86%	0.855	84%	0.839	S	S	*	*			trans	81.2	137.1	153.2	-79.5	167.6	-3.8	0	0	116.6
860	A	48.2	Very low	40.9	Very low	86 Å²	86	163.5 Å²	163.5	71%	0.711	84%	0.843	S	S	*	*			cis	-165	155.9	4.6	0	0	0	0	0	110.7
861	F	45.8	Very low	41.4	Very low	200 Å²	200	169.2 Å²	169.2	88%	0.877	86%	0.858	S	S	*	*			trans	-9.5	128.4	157.7	-77	-96.9	0	0	0	119.3
862	V	45	Very low	41.6	Very low	209 Å²	209	169 Å²	169	100%	1.267	86%	0.863	S	S	*	*				-125.4	0	107.1	171.8	0	0	0	0	107.4

Retrieved 862 of 862 residues in 2542.4 ms (Link to these results)

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