CESA4_ARATH Loading...

Cellulose synthase A catalytic subunit 4 [UDP-forming]

Catalytic subunit of cellulose synthase terminal complexes ('rosettes'), required for beta-1,4-glucan microfibril crystallization, a major mechanism of the cell wall formation. Involved in the secondary cell wall formation. Required for the xylem cell wall thickening.

AlphaFold DB , UniProt , Accession Q84JA6, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene CESA4, Length 1,049 aa.

						>CESA4_ARATH|Q84JA6|CESA4
MEPNTMASFDDEHRHSSFSAKICKVCGDEVKDDDNGQTFVACHVCVYPVCKPCYEYERSNGNKCCPQCNTLYKRHKGSPKIAGDEENNGPDDSDDELNIKYRQDGSSIHQNFAYGSENGDYNSKQQWRPNGRAFSSTGSVLGKDFEAERDGYTDAEWKERVDKWKARQEKRGLVTKGEQTNEDKEDDEEEYLDAEARQPLWRKVPISSSKISPYRIVIVLRLVILVFFFRFRILTPAKDAYPLWLISVICEIWFALSWILDQFPKWFPINRETYLDRLSMRFERDGEKNKLAPVDVFVSTVDPLKEPPIITANTILSILAVDYPVNKVSCYVSDDGASMLLFDTLSETSEFARRWVPFCKKYNVEPRAPEFYFSEKIDYLKDKVQTTFVKDRRAMKREYEEFKVRINALVAKAQKKPEEGWVMQDGTPWPGNNTRDHPGMIQVYLGKEGAFDIDGNELPRLVYVSREKRPGYAHHKKAGAMNAMVRVSAVLTNAPFMLNLDCDHYINNSKAIRESMCFLMDPQLGKKLCYVQFPQRFDGIDLNDRYANRNIVFFDINMRGLDGIQGPVYVGTGCVFNRPALYGYEPPVSEKRKKMTCDCWPSWICCCCGGGNRNHKSDSSKKKSGIKSLFSKLKKKTKKKSDDKTMSSYSRKRSSTEAIFDLEDIEEGLEGYDELEKSSLMSQKNFEKRFGMSPVFIASTLMENGGLPEATNTSSLIKEAIHVISCGYEEKTEWGKEIGWIYGSVTEDILTGFRMHCRGWKSVYCMPKRPAFKGSAPINLSDRLHQVLRWALGSVEIFFSRHCPLWYAWGGKLKILERLAYINTIVYPFTSIPLLAYCTIPAVCLLTGKFIIPTINNFASIWFLALFLSIIATAILELRWSGVSINDLWRNEQFWVIGGVSAHLFAVFQGLLKVLFGVDTNFTVTSKGASDEADEFGDLYLFKWTTLLIPPTTLIILNMVGVVAGVSDAINNGYGSWGPLFGKLFFAFWVIVHLYPFLKGLMGRQNRTPTIVVLWSILLASIFSLVWVRIDPFLPKQTGPLLKQCGVDC
					

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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	29.1	Very low	29.5	Very low	241 Å²	241	156.6 Å²	156.6	100%	1.187	85%	0.851	S	S	*	*				0	117.9	0	-67.2	171.1	170.1	0	0	104.8
2	E	30.7	Very low	29.2	Very low	185 Å²	185	157 Å²	157	86%	0.864	84%	0.843	S	S	*	*			cis	-163.6	165.8	10.4	-106.4	-179	163.8	0	0	105.3
3	P	36.7	Very low	29	Very low	119 Å²	119	158.8 Å²	158.8	77%	0.773	84%	0.842	S	S	*	*			trans	-91.1	132.4	-166.1	34	-28	0	0	0	112.3
4	N	29.3	Very low	28.9	Very low	155 Å²	155	165.2 Å²	165.2	83%	0.829	85%	0.849	S	S	*	*			trans	-123	115.4	165.1	-88.5	-25	0	0	0	108
5	T	35.1	Very low	28.9	Very low	144 Å²	144	167.7 Å²	167.7	88%	0.883	86%	0.855	S	S	*	*				165	86.5	129.5	49.5	0	0	0	0	109
6	M	24.2	Very low	29	Very low	200 Å²	200	163.4 Å²	163.4	99%	0.985	85%	0.845	S	S	*	*			trans	-109.3	104.3	151.3	-92.5	-174.5	167.6	0	0	106.4
7	A	31.2	Very low	29	Very low	81 Å²	81	160.6 Å²	160.6	67%	0.669	84%	0.843	S	S	*	*			trans	-148	114.6	165.2	0	0	0	0	0	108.6
8	S	26	Very low	29.3	Very low	104 Å²	104	162.3 Å²	162.3	73%	0.727	84%	0.843	S	S	*	*			trans	20	115	150.7	55.8	0	0	0	0	118.8
9	F	28.5	Very low	30.1	Very low	209 Å²	209	159.2 Å²	159.2	92%	0.917	84%	0.836	S	S	*	*			trans	-117.4	123.1	146.3	-93.4	-86.4	0	0	0	108.5
10	D	27.4	Very low	31.3	Very low	138 Å²	138	154.2 Å²	154.2	74%	0.738	82%	0.818	S	S	*	*			trans	-64.7	149.5	174.4	-65.5	-49.2	0	0	0	112.7
11	D	25.8	Very low	33.3	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	80%	0.798	S	S	*	*			trans	57.3	138.7	141.4	-75.6	-30	0	0	0	124.5
12	E	25.9	Very low	35.8	Very low	161 Å²	161	144.3 Å²	144.3	75%	0.752	77%	0.765	S	S	*	*			trans	70.7	102.3	155.7	-69	-177.9	172.6	0	0	119.2
13	H	27.2	Very low	38.2	Very low	181 Å²	181	135.5 Å²	135.5	84%	0.838	72%	0.724	S	S	*	*			trans	153.5	70.2	132.8	-77.1	-53.3	0	0	0	112.5
14	R	27.6	Very low	40.2	Very low	248 Å²	248	136.4 Å²	136.4	94%	0.936	72%	0.716	S	S	*	*			trans	-146.5	63	159	-74.9	-163.8	177.1	177.8	0.1	112.9	S16	R14-S16 PolarHBondContact O-N 3.37Å
15	H	29.3	Very low	42.5	Very low	202 Å²	202	130.6 Å²	130.6	94%	0.935	69%	0.686	S	S	*	*			trans	-85.3	94.4	149.1	-81.9	-71.9	0	0	0	107.8	S17	H15-S17 PolarHBondContact O-N 3.14Å
16	S	30.5	Very low	44.7	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	65%	0.654	S	S	*	*			trans	-67.5	118.5	171.3	67.3	0	0	0	0	109.5	R14 F18	R14-S16 PolarHBondContact O-N 3.37Å; S16-F18 PolarHBondContact O-N 3.31Å; S16-F18 VanDerWaalsContact O-N 3.14Å
17	S	28.3	Very low	47.4	Very low	116 Å²	116	117.9 Å²	117.9	81%	0.811	63%	0.63	S	S	*	*			trans	-25.5	106.7	164.5	169.9	0	0	0	0	114.1	H15	H15-S17 PolarHBondContact O-N 3.14Å
18	F	35.1	Very low	49.9	Very low	192 Å²	192	117.9 Å²	117.9	84%	0.842	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-76.8	119.6	159.2	-89	-92.8	0	0	0	107.8	S16 A20	S16-F18 PolarHBondContact O-N 3.31Å; S16-F18 VanDerWaalsContact O-N 3.14Å; F18-A20 PolarHBondContact O-N 3.13Å
19	S	43.7	Very low	52.5	Low	102 Å²	102	119.4 Å²	119.4	71%	0.713	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-63.7	125.1	175.5	59.7	0	0	0	0	111.1	K21	S19-K21 PolarHBondContact O-N 3.23Å
20	A	54.1	Low	54.9	Low	59 Å²	59	109.8 Å²	109.8	49%	0.488	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-52.9	130.1	175.9	0	0	0	0	0	112	F18 E29	F18-A20 PolarHBondContact O-N 3.13Å; A20-E29 HydrophobicContact CB-CG 4.43Å
21	K	73	Confident	57.3	Low	92 Å²	92	111.6 Å²	111.6	40%	0.4	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-82.2	134	177.3	-71.3	176.8	-176.2	163	0	109.7	S19 V30 P48	S19-K21 PolarHBondContact O-N 3.23Å; K21-V30 HydrophobicContact CB-CB 4.35Å; K21-V30 HydrophobicContact CB-CG2 4.39Å; K21-V30 WeakPolarHBondContact O-CB 3.44Å; K21-V30 WeakPolarHBondContact O-CG2 3.41Å; K21-V30 PolarHBondContact O-N 3.3Å; K21-P48 HydrophobicContact CB-CB 4.28Å
22	I	81.5	Confident	59.7	Low	96 Å²	96	109.1 Å²	109.1	49%	0.492	56%	0.561	S	S	.	*	B	Isolated β-bridge	trans	-86.3	128	175	-60.6	169	0	0	0	110.3	K24 G27	I22-K24 PolarHBondContact O-N 2.97Å; I22-G27 VanDerWaalsContact CG2-O 3.25Å; I22-G27 WeakPolarHBondContact CG2-O 3.49Å
23	C	82.1	Confident	61.6	Low	0 Å²	0	103.5 Å²	103.5	0%	0	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-58.7	119.1	172.5	177.5	0	0	0	0	109.8	V25 C26 G27 D28 V30 P48 C50	C23-V25 PolarHBondContact O-N 2.79Å; C23-V25 PolarHBondContact SG-N 3.35Å; C23-C26 PolarHBondContact SG-SG 3.32Å; C23-G27 WeakPolarHBondContact O-CA 3.27Å; C23-G27 PolarHBondContact O-N 3.21Å; C23-D28 WeakPolarHBondContact CA-O 3.32Å; C23-D28 WeakPolarHBondContact CB-O 3.12Å; C23-D28 PolarHBondContact N-O 3.36Å; C23-V30 HydrophobicContact CB-CG2 4.01Å; C23-P48 WeakPolarHBondContact CA-O 3.47Å; C23-C50 HydrophobicContact CB-CB 4Å; C23-C50 PolarHBondContact SG-N 3.22Å
24	K	79.3	Confident	63.5	Low	138 Å²	138	101.5 Å²	101.5	60%	0.6	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	1	-178.4	-67.9	-76.1	-178.2	-170.5	0	113.7	I22 Y47 P48	I22-K24 PolarHBondContact O-N 2.97Å; K24-Y47 HydrophobicContact CB-CE1 4.01Å; K24-Y47 HydrophobicContact CB-CE2 3.69Å; K24-Y47 WeakPolarHBondContact CB-OH 3.43Å; K24-Y47 HydrophobicContact CG-CE2 4Å; K24-P48 HydrophobicContact CG-CG 3.71Å; K24-P48 PolarHBondContact N-O 3.12Å
25	V	77.5	Confident	65.3	Low	33 Å²	33	93.4 Å²	93.4	20%	0.2	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-56.3	177.5	-179.6	0	0	0	0	111.3	C23 Y47 V49 C53 P66 R592	C23-V25 PolarHBondContact O-N 2.79Å; C23-V25 PolarHBondContact SG-N 3.35Å; V25-Y47 HydrophobicContact CG2-CE1 4.14Å; V25-V49 HydrophobicContact CG2-CG1 4.07Å; V25-V49 HydrophobicContact CG2-CG2 3.97Å; V25-C53 HydrophobicContact CB-CB 4.13Å; V25-C53 HydrophobicContact CG1-CB 4.17Å; V25-P66 HydrophobicContact CG2-CG 4.29Å; V25-R592 VanDerWaalsContact CG1-CZ 3.44Å; V25-R592 VanDerWaalsContact CG1-NH1 3.34Å
26	C	81.7	Confident	67.1	Low	30 Å²	30	86.4 Å²	86.4	20%	0.203	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-26.5	178.8	59.6	0	0	0	0	114	C23 D28	C23-C26 PolarHBondContact SG-SG 3.32Å; C26-D28 VanDerWaalsContact SG-CG 3.51Å; C26-D28 PolarHBondContact SG-N 3.47Å; C26-D28 VanDerWaalsContact SG-N 3.45Å; C26-D28 PolarHBondContact SG-OD2 3.09Å
27	G	80.2	Confident	69.1	Low	48 Å²	48	86.6 Å²	86.6	50%	0.495	48%	0.479	S	S	.	.	S	Bend	trans	95	-1	-173.8	0	0	0	0	0	114.8	I22 C23	I22-G27 VanDerWaalsContact CG2-O 3.25Å; I22-G27 WeakPolarHBondContact CG2-O 3.49Å; C23-G27 WeakPolarHBondContact O-CA 3.27Å; C23-G27 PolarHBondContact O-N 3.21Å
28	D	84.1	Confident	71.1	Confident	81 Å²	81	83.3 Å²	83.3	43%	0.433	45%	0.454	S	S	.	.	S	Bend	trans	-80.6	163.4	178.3	-54	-33.1	0	0	0	111.8	C23 C26	C23-D28 WeakPolarHBondContact CA-O 3.32Å; C23-D28 WeakPolarHBondContact CB-O 3.12Å; C23-D28 PolarHBondContact N-O 3.36Å; C26-D28 VanDerWaalsContact SG-CG 3.51Å; C26-D28 PolarHBondContact SG-N 3.47Å; C26-D28 VanDerWaalsContact SG-N 3.45Å; C26-D28 PolarHBondContact SG-OD2 3.09Å
29	E	79.7	Confident	73.3	Confident	135 Å²	135	74.8 Å²	74.8	63%	0.631	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-66.6	137.2	172.4	-69	-178.7	171.3	0	0	111.6	A20 K31	A20-E29 HydrophobicContact CB-CG 4.43Å; E29-K31 PolarHBondContact O-N 3.29Å
30	V	79.2	Confident	75.2	Confident	8 Å²	8	71.9 Å²	71.9	5%	0.048	40%	0.395	C	S	.	.			trans	-76.2	102.5	171	-179.2	0	0	0	0	106.7	K21 C23 F39 P48 C50	K21-V30 HydrophobicContact CB-CB 4.35Å; K21-V30 HydrophobicContact CB-CG2 4.39Å; K21-V30 WeakPolarHBondContact O-CB 3.44Å; K21-V30 WeakPolarHBondContact O-CG2 3.41Å; K21-V30 PolarHBondContact O-N 3.3Å; C23-V30 HydrophobicContact CB-CG2 4.01Å; V30-F39 HydrophobicContact CG1-CB 4.05Å; V30-F39 HydrophobicContact CG1-CD1 4.5Å; V30-P48 HydrophobicContact CG2-CB 4.23Å; V30-C50 HydrophobicContact CG2-CB 4.49Å
31	K	78.3	Confident	76.5	Confident	176 Å²	176	69 Å²	69	77%	0.765	37%	0.371	S	S	*	.			trans	-62.3	150.4	171.8	-63.2	-175.4	177.6	-175.5	0	110.5	E29 F39	E29-K31 PolarHBondContact O-N 3.29Å; K31-F39 WeakPolarHBondContact O-CB 3.5Å
32	D	75.1	Confident	76.8	Confident	94 Å²	94	64.9 Å²	64.9	50%	0.503	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-64	153	170.2	-59.7	-40	0	0	0	110.3	Q37 T38	D32-Q37 CarbonylContact C-O 3.58Å; D32-Q37 VanDerWaalsContact CA-O 3.23Å; D32-Q37 WeakPolarHBondContact CA-O 3.47Å; D32-Q37 WeakPolarHBondContact CB-O 3.45Å; D32-T38 WeakPolarHBondContact OD1-CA 3.28Å; D32-T38 WeakPolarHBondContact OD1-CG2 3.44Å; D32-T38 PolarHBondContact OD1-N 2.98Å
33	D	67.1	Low	76.5	Confident	43 Å²	43	65.4 Å²	65.4	23%	0.23	35%	0.354	C	S	.	.			trans	-70.9	177.2	170.7	62.9	22.1	0	0	0	111.4	N35 G36 Q37	D33-N35 PolarHBondContact O-N 3.41Å; D33-N35 PolarHBondContact OD1-N 3.04Å; D33-N35 VanDerWaalsContact OD1-N 3.11Å; D33-G36 PolarHBondContact O-N 3.11Å; D33-G36 PolarHBondContact OD1-N 3.34Å; D33-Q37 PolarHBondContact N-O 3.29Å; D33-Q37 PolarHBondContact OD1-N 3.15Å; D33-Q37 VanDerWaalsContact OD1-O 3.07Å
34	D	66.6	Low	76.1	Confident	139 Å²	139	69.1 Å²	69.1	74%	0.743	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.9	-176	-54.2	-44.3	0	0	0	112.4	K51	D34-K51 IonicContact OD2-NZ 3.45Å
35	N	64.7	Low	75.9	Confident	78 Å²	78	63.5 Å²	63.5	42%	0.417	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5.8	178.8	-65.5	-26.7	0	0	0	113.3	D33 Q37 E96	D33-N35 PolarHBondContact O-N 3.41Å; D33-N35 PolarHBondContact OD1-N 3.04Å; D33-N35 VanDerWaalsContact OD1-N 3.11Å; N35-Q37 VanDerWaalsContact C-N 3.32Å; N35-Q37 PolarHBondContact O-N 3.45Å; N35-E96 PolarHBondContact ND2-OE1 2.84Å; N35-E96 PolarHBondContact ND2-OE2 3.18Å; N35-E96 VanDerWaalsContact ND2-OE2 3.14Å
36	G	67.6	Low	75.9	Confident	55 Å²	55	65.4 Å²	65.4	57%	0.567	37%	0.366	S	S	*	.	S	Bend	trans	75.8	14.8	-179.4	0	0	0	0	0	114.5	D33	D33-G36 PolarHBondContact O-N 3.11Å; D33-G36 PolarHBondContact OD1-N 3.34Å
37	Q	71.9	Confident	75.8	Confident	103 Å²	103	65.9 Å²	65.9	48%	0.481	36%	0.364	S	S	.	.	S	Bend	trans	-99.7	147.7	173.2	-63.9	-173.4	11.5	0	0	111	D32 D33 N35 F39	D32-Q37 CarbonylContact C-O 3.58Å; D32-Q37 VanDerWaalsContact CA-O 3.23Å; D32-Q37 WeakPolarHBondContact CA-O 3.47Å; D32-Q37 WeakPolarHBondContact CB-O 3.45Å; D33-Q37 PolarHBondContact N-O 3.29Å; D33-Q37 PolarHBondContact OD1-N 3.15Å; D33-Q37 VanDerWaalsContact OD1-O 3.07Å; N35-Q37 VanDerWaalsContact C-N 3.32Å; N35-Q37 PolarHBondContact O-N 3.45Å; Q37-F39 PolarHBondContact O-N 3.43Å; Q37-F39 VanDerWaalsContact O-N 3.11Å
38	T	71.6	Confident	75.8	Confident	47 Å²	47	65.2 Å²	65.2	29%	0.288	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-60.1	121.7	177.6	60.6	0	0	0	0	110.5	D32 V40	D32-T38 WeakPolarHBondContact OD1-CA 3.28Å; D32-T38 WeakPolarHBondContact OD1-CG2 3.44Å; D32-T38 PolarHBondContact OD1-N 2.98Å; T38-V40 WeakPolarHBondContact O-CG2 3.38Å; T38-V40 PolarHBondContact O-N 3.47Å
39	F	81.4	Confident	75.8	Confident	14 Å²	14	61.3 Å²	61.3	6%	0.061	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-56.6	122.7	-178.8	176.2	-100.7	0	0	0	112.1	V30 K31 Q37 A41 V49 K51 Y54 H75	V30-F39 HydrophobicContact CG1-CB 4.05Å; V30-F39 HydrophobicContact CG1-CD1 4.5Å; K31-F39 WeakPolarHBondContact O-CB 3.5Å; Q37-F39 PolarHBondContact O-N 3.43Å; Q37-F39 VanDerWaalsContact O-N 3.11Å; F39-A41 HydrophobicContact CE1-CB 3.75Å; F39-A41 HydrophobicContact CZ-CB 4.32Å; F39-V49 VanDerWaalsContact CD1-O 3.25Å; F39-V49 WeakPolarHBondContact CD1-O 3.43Å; F39-V49 WeakPolarHBondContact CE1-O 3.27Å; F39-K51 HydrophobicContact CD1-CB 4.13Å; F39-K51 HydrophobicContact CD2-CB 4.28Å; F39-K51 VanDerWaalsContact CE1-CA 3.46Å; F39-K51 HydrophobicContact CE1-CB 4.02Å; F39-K51 HydrophobicContact CE2-CB 4.18Å; F39-K51 HydrophobicContact CE2-CG 4.13Å; F39-K51 HydrophobicContact CG-CB 4.26Å; F39-K51 HydrophobicContact CZ-CB 4.06Å; F39-K51 HydrophobicContact CZ-CG 4.22Å; F39-Y54 HydrophobicContact CE1-CD1 4.3Å; F39-Y54 HydrophobicContact CE1-CG 4.04Å; F39-Y54 AromaticContact CZ-CD1 3.57Å; F39-Y54 HydrophobicContact CZ-CD1 3.57Å; F39-Y54 HydrophobicContact CZ-CD2 4.22Å; F39-Y54 HydrophobicContact CZ-CE1 4.13Å; F39-Y54 AromaticContact CZ-CG 3.66Å; F39-Y54 HydrophobicContact CZ-CG 3.66Å; F39-H75 HydrophobicContact CE2-CB 4.47Å; F39-H75 AromaticContact CE2-CD2 3.43Å; F39-H75 VanDerWaalsContact CE2-CD2 3.43Å; F39-H75 WeakPolarHBondContact CE2-CD2 3.34Å; F39-H75 AromaticContact CE2-CG 3.9Å; F39-H75 AromaticContact CE2-NE2 3.74Å; F39-H75 AromaticContact CZ-CD2 3.58Å; F39-H75 AromaticContact CZ-NE2 3.84Å
40	V	82.3	Confident	76.1	Confident	40 Å²	40	55.3 Å²	55.3	24%	0.242	30%	0.302	C	S	.	.			trans	-111.2	92.4	179.8	-177	0	0	0	0	111	T38 C42 V46 H75	T38-V40 WeakPolarHBondContact O-CG2 3.38Å; T38-V40 PolarHBondContact O-N 3.47Å; V40-C42 PolarHBondContact O-N 3.33Å; V40-V46 HydrophobicContact CG1-CB 4.47Å; V40-V46 HydrophobicContact CG1-CG1 3.89Å; V40-V46 HydrophobicContact CG2-CG1 4.38Å; V40-H75 PolarHBondContact O-CE1 3.46Å; V40-H75 PolarHBondContact O-NE2 2.92Å
41	A	81.1	Confident	76.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-57.9	-44.5	179.1	0	0	0	0	0	114.2	F39 V49 Y54 Y72	F39-A41 HydrophobicContact CE1-CB 3.75Å; F39-A41 HydrophobicContact CZ-CB 4.32Å; A41-V49 HydrophobicContact CB-CB 3.79Å; A41-V49 HydrophobicContact CB-CG1 4.49Å; A41-V49 HydrophobicContact CB-CG2 4.43Å; A41-Y54 HydrophobicContact CB-CD2 3.84Å; A41-Y54 HydrophobicContact CB-CG 4.21Å; A41-Y72 HydrophobicContact CB-CD1 4.4Å; A41-Y72 HydrophobicContact CB-CE1 3.74Å; A41-Y72 WeakPolarHBondContact O-CD1 3.49Å; A41-Y72 WeakPolarHBondContact O-CE1 3.31Å
42	C	79.7	Confident	76.6	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.027	30%	0.303	C	S	.	.			trans	-115.7	109.6	-178.8	-176.4	0	0	0	0	111	V40 V44 C45 V46 C65 C68 Y72	V40-C42 PolarHBondContact O-N 3.33Å; C42-V44 PolarHBondContact O-N 3.32Å; C42-C45 VanDerWaalsContact SG-SG 3.66Å; C42-V46 WeakPolarHBondContact O-CA 3.21Å; C42-V46 PolarHBondContact O-N 2.92Å; C42-C65 HydrophobicContact CB-CB 3.94Å; C42-C68 VanDerWaalsContact SG-SG 3.62Å; C42-Y72 HydrophobicContact CB-CD1 4.4Å; C42-Y72 HydrophobicContact CB-CE1 3.92Å
43	H	76.4	Confident	77	Confident	108 Å²	108	49.4 Å²	49.4	50%	0.5	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.1	178.6	-55.2	-70.6	0	0	0	114.3	H75	H43-H75 AromaticContact CE1-CE1 3.52Å; H43-H75 AromaticContact NE2-CE1 3.66Å
44	V	72.3	Confident	77.9	Confident	77 Å²	77	47.4 Å²	47.4	47%	0.467	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-49.2	-175.7	177.9	0	0	0	0	112.5	C42 T70	C42-V44 PolarHBondContact O-N 3.32Å; V44-T70 HydrophobicContact CB-CG2 4.44Å; V44-T70 HydrophobicContact CG2-CG2 3.86Å
45	C	74.9	Confident	78.8	Confident	20 Å²	20	43.4 Å²	43.4	14%	0.135	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.6	-177.4	72.8	0	0	0	0	114.4	C42 Y47 C65 C68 P205	C42-C45 VanDerWaalsContact SG-SG 3.66Å; C45-Y47 PolarHBondContact O-N 3.33Å; C45-Y47 VanDerWaalsContact O-N 3.15Å; C45-C65 PolarHBondContact SG-SG 2.9Å; C45-C68 HydrophobicContact CB-CB 3.96Å; C45-C68 PolarHBondContact SG-SG 3.35Å; C45-P205 HydrophobicContact CB-CG 4.33Å
46	V	78.5	Confident	79.6	Confident	74 Å²	74	44 Å²	44	45%	0.448	25%	0.245	S	C	.	.			trans	53.5	35.3	178.7	-160.8	0	0	0	0	111.8	V40 C42 P48	V40-V46 HydrophobicContact CG1-CB 4.47Å; V40-V46 HydrophobicContact CG1-CG1 3.89Å; V40-V46 HydrophobicContact CG2-CG1 4.38Å; C42-V46 WeakPolarHBondContact O-CA 3.21Å; C42-V46 PolarHBondContact O-N 2.92Å; V46-P48 WeakPolarHBondContact O-CD 3.34Å
47	Y	79.1	Confident	80.2	Confident	40 Å²	40	41.9 Å²	41.9	16%	0.157	22%	0.22	C	C	.	.			trans	-65.6	124.3	179.3	-175.5	-116.9	0	0	0	110	K24 V25 C45 V49 P66 Q67	K24-Y47 HydrophobicContact CB-CE1 4.01Å; K24-Y47 HydrophobicContact CB-CE2 3.69Å; K24-Y47 WeakPolarHBondContact CB-OH 3.43Å; K24-Y47 HydrophobicContact CG-CE2 4Å; V25-Y47 HydrophobicContact CG2-CE1 4.14Å; C45-Y47 PolarHBondContact O-N 3.33Å; C45-Y47 VanDerWaalsContact O-N 3.15Å; Y47-V49 HydrophobicContact CD1-CG2 3.26Å; Y47-V49 HydrophobicContact CE1-CG2 3.65Å; Y47-V49 HydrophobicContact CG-CG2 4.28Å; Y47-V49 PolarHBondContact O-N 3.2Å; Y47-V49 VanDerWaalsContact O-N 3.11Å; Y47-P66 HydrophobicContact CD1-CG 3.86Å; Y47-P66 HydrophobicContact CE1-CG 3.46Å; Y47-P66 VanDerWaalsContact CE1-CG 3.46Å; Y47-Q67 HydrophobicContact CD1-CB 4.37Å; Y47-Q67 HydrophobicContact CD2-CB 3.74Å; Y47-Q67 HydrophobicContact CD2-CG 4.27Å; Y47-Q67 HydrophobicContact CE2-CB 4.09Å; Y47-Q67 VanDerWaalsContact CE2-OE1 3.31Å; Y47-Q67 HydrophobicContact CG-CB 3.86Å
48	P	81	Confident	80.8	Confident	33 Å²	33	37.4 Å²	37.4	21%	0.214	20%	0.199	C	C	.	.			trans	-71.2	109.8	-176.1	26.8	-33.5	0	0	0	110.6	K21 C23 K24 V30 V46	K21-P48 HydrophobicContact CB-CB 4.28Å; C23-P48 WeakPolarHBondContact CA-O 3.47Å; K24-P48 HydrophobicContact CG-CG 3.71Å; K24-P48 PolarHBondContact N-O 3.12Å; V30-P48 HydrophobicContact CG2-CB 4.23Å; V46-P48 WeakPolarHBondContact O-CD 3.34Å
49	V	82.8	Confident	81	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.			trans	-135.8	127.1	176.9	-176.3	0	0	0	0	106.7	V25 F39 A41 Y47 C53	V25-V49 HydrophobicContact CG2-CG1 4.07Å; V25-V49 HydrophobicContact CG2-CG2 3.97Å; F39-V49 VanDerWaalsContact CD1-O 3.25Å; F39-V49 WeakPolarHBondContact CD1-O 3.43Å; F39-V49 WeakPolarHBondContact CE1-O 3.27Å; A41-V49 HydrophobicContact CB-CB 3.79Å; A41-V49 HydrophobicContact CB-CG1 4.49Å; A41-V49 HydrophobicContact CB-CG2 4.43Å; Y47-V49 HydrophobicContact CD1-CG2 3.26Å; Y47-V49 HydrophobicContact CE1-CG2 3.65Å; Y47-V49 HydrophobicContact CG-CG2 4.28Å; Y47-V49 PolarHBondContact O-N 3.2Å; Y47-V49 VanDerWaalsContact O-N 3.11Å; V49-C53 HydrophobicContact CG1-CB 3.42Å; V49-C53 VanDerWaalsContact CG1-CB 3.42Å
50	C	85.8	Confident	80.7	Confident	8 Å²	8	42.8 Å²	42.8	5%	0.054	23%	0.23	C	C	.	.			trans	-68.2	153.5	176	63.8	0	0	0	0	110.9	C23 V30 P52 C53 Y54	C23-C50 HydrophobicContact CB-CB 4Å; C23-C50 PolarHBondContact SG-N 3.22Å; V30-C50 HydrophobicContact CG2-CB 4.49Å; C50-P52 VanDerWaalsContact C-CD 3.48Å; C50-P52 VanDerWaalsContact C-N 3.33Å; C50-C53 PolarHBondContact O-N 2.9Å; C50-Y54 PolarHBondContact O-N 3.37Å
51	K	84.2	Confident	80	Confident	60 Å²	60	41.9 Å²	41.9	26%	0.261	23%	0.23	S	C	.	.	H	α-helix	trans	-47.5	-45.7	179.4	-173.1	175.6	-178.2	176.5	0	113.3	D34 F39 C53 Y54 E55	D34-K51 IonicContact OD2-NZ 3.45Å; F39-K51 HydrophobicContact CD1-CB 4.13Å; F39-K51 HydrophobicContact CD2-CB 4.28Å; F39-K51 VanDerWaalsContact CE1-CA 3.46Å; F39-K51 HydrophobicContact CE1-CB 4.02Å; F39-K51 HydrophobicContact CE2-CB 4.18Å; F39-K51 HydrophobicContact CE2-CG 4.13Å; F39-K51 HydrophobicContact CG-CB 4.26Å; F39-K51 HydrophobicContact CZ-CB 4.06Å; F39-K51 HydrophobicContact CZ-CG 4.22Å; K51-C53 PolarHBondContact O-N 3.5Å; K51-Y54 WeakPolarHBondContact O-CB 3.29Å; K51-Y54 PolarHBondContact O-N 3.32Å; K51-E55 WeakPolarHBondContact O-CG 3.45Å; K51-E55 PolarHBondContact O-N 3.08Å
52	P	84.7	Confident	79.4	Confident	88 Å²	88	45.6 Å²	45.6	57%	0.571	25%	0.25	S	C	*	.	H	α-helix	trans	-62.1	-40.6	176.8	-24.1	34.3	0	0	0	114.3	C50 Y54 E55 Y56	C50-P52 VanDerWaalsContact C-CD 3.48Å; C50-P52 VanDerWaalsContact C-N 3.33Å; P52-Y54 VanDerWaalsContact C-N 3.34Å; P52-E55 PolarHBondContact O-N 3.31Å; P52-Y56 VanDerWaalsContact O-CB 3.29Å; P52-Y56 WeakPolarHBondContact O-CB 3.35Å; P52-Y56 PolarHBondContact O-N 3.04Å
53	C	83.8	Confident	79.4	Confident	7 Å²	7	47.9 Å²	47.9	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-36.5	176.6	-78.4	0	0	0	0	111.5	V25 V49 C50 K51 E57	V25-C53 HydrophobicContact CB-CB 4.13Å; V25-C53 HydrophobicContact CG1-CB 4.17Å; V49-C53 HydrophobicContact CG1-CB 3.42Å; V49-C53 VanDerWaalsContact CG1-CB 3.42Å; C50-C53 PolarHBondContact O-N 2.9Å; K51-C53 PolarHBondContact O-N 3.5Å; C53-E57 WeakPolarHBondContact O-CB 3.03Å; C53-E57 VanDerWaalsContact O-CG 3.28Å; C53-E57 WeakPolarHBondContact O-CG 3.3Å; C53-E57 PolarHBondContact O-N 3.06Å
54	Y	86.4	Confident	79.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-45.5	174.4	154.1	-87.6	0	0	0	111.4	F39 A41 C50 K51 P52 Y56 E57 R58 Y72 K73 R74 H75	F39-Y54 HydrophobicContact CE1-CD1 4.3Å; F39-Y54 HydrophobicContact CE1-CG 4.04Å; F39-Y54 AromaticContact CZ-CD1 3.57Å; F39-Y54 HydrophobicContact CZ-CD1 3.57Å; F39-Y54 HydrophobicContact CZ-CD2 4.22Å; F39-Y54 HydrophobicContact CZ-CE1 4.13Å; F39-Y54 AromaticContact CZ-CG 3.66Å; F39-Y54 HydrophobicContact CZ-CG 3.66Å; A41-Y54 HydrophobicContact CB-CD2 3.84Å; A41-Y54 HydrophobicContact CB-CG 4.21Å; C50-Y54 PolarHBondContact O-N 3.37Å; K51-Y54 WeakPolarHBondContact O-CB 3.29Å; K51-Y54 PolarHBondContact O-N 3.32Å; P52-Y54 VanDerWaalsContact C-N 3.34Å; Y54-Y56 PolarHBondContact O-N 2.9Å; Y54-E57 PolarHBondContact O-N 3.48Å; Y54-R58 HydrophobicContact CE2-CG 4.26Å; Y54-R58 WeakPolarHBondContact O-CG 3.3Å; Y54-R58 PolarHBondContact O-N 3.29Å; Y54-R58 WeakPolarHBondContact OH-CD 3.27Å; Y54-R58 PolarHBondContact OH-NE 3.4Å; Y54-R58 PolarHBondContact OH-NH1 2.94Å; Y54-Y72 AromaticContact CD2-CD1 3.73Å; Y54-Y72 HydrophobicContact CD2-CD1 3.73Å; Y54-Y72 HydrophobicContact CD2-CD2 4.15Å; Y54-Y72 HydrophobicContact CD2-CE1 4.09Å; Y54-Y72 HydrophobicContact CD2-CE2 4.49Å; Y54-Y72 AromaticContact CD2-CG 3.75Å; Y54-Y72 HydrophobicContact CD2-CG 3.75Å; Y54-Y72 AromaticContact CE2-CD1 3.98Å; Y54-Y72 HydrophobicContact CE2-CD1 3.98Å; Y54-Y72 AromaticContact CE2-CG 3.86Å; Y54-Y72 HydrophobicContact CE2-CG 3.86Å; Y54-K73 PolarHBondContact OH-O 2.77Å; Y54-R74 WeakPolarHBondContact OH-CA 3.25Å; Y54-H75 AromaticContact CE1-CD2 3.85Å; Y54-H75 AromaticContact CE2-CD2 3.63Å; Y54-H75 AromaticContact CZ-CD2 3.39Å; Y54-H75 PolarHBondContact OH-N 2.85Å
55	E	84.4	Confident	79.9	Confident	55 Å²	55	39.4 Å²	39.4	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-65.6	-38.9	177.1	-74.2	174.8	170	0	0	111.6	K51 P52 R58 S59 S78	K51-E55 WeakPolarHBondContact O-CG 3.45Å; K51-E55 PolarHBondContact O-N 3.08Å; P52-E55 PolarHBondContact O-N 3.31Å; E55-R58 PolarHBondContact O-N 3.43Å; E55-S59 WeakPolarHBondContact O-CB 3.16Å; E55-S59 PolarHBondContact O-N 3.4Å; E55-S59 PolarHBondContact O-OG 3.33Å; E55-S78 PolarHBondContact OE1-OG 3.21Å
56	Y	82.8	Confident	79.8	Confident	92 Å²	92	41.8 Å²	41.8	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-47	171.6	-180	-87.3	0	0	0	111.6	P52 Y54 R58 S59 N60 G61 R592	P52-Y56 VanDerWaalsContact O-CB 3.29Å; P52-Y56 WeakPolarHBondContact O-CB 3.35Å; P52-Y56 PolarHBondContact O-N 3.04Å; Y54-Y56 PolarHBondContact O-N 2.9Å; Y56-R58 PolarHBondContact O-N 2.82Å; Y56-S59 WeakPolarHBondContact CA-OG 3.36Å; Y56-S59 PolarHBondContact O-N 3.08Å; Y56-S59 PolarHBondContact O-OG 2.9Å; Y56-N60 HydrophobicContact CD2-CB 4.11Å; Y56-N60 HydrophobicContact CE1-CB 4.4Å; Y56-N60 HydrophobicContact CE2-CB 3.75Å; Y56-N60 PolarHBondContact O-N 3.42Å; Y56-G61 PolarHBondContact O-N 3.02Å; Y56-R592 VanDerWaalsContact CE1-NH2 3.33Å
57	E	80.2	Confident	79.7	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-35.3	178.1	-79	-59	154.3	0	0	112.4	C53 Y54 G61 N62 K63 Y72 R592	C53-E57 WeakPolarHBondContact O-CB 3.03Å; C53-E57 VanDerWaalsContact O-CG 3.28Å; C53-E57 WeakPolarHBondContact O-CG 3.3Å; C53-E57 PolarHBondContact O-N 3.06Å; Y54-E57 PolarHBondContact O-N 3.48Å; E57-G61 CarbonylContact O-C 3.5Å; E57-G61 WeakPolarHBondContact O-CA 3.23Å; E57-G61 PolarHBondContact O-N 2.86Å; E57-N62 PolarHBondContact O-N 3.02Å; E57-N62 PolarHBondContact OE2-N 2.72Å; E57-K63 VanDerWaalsContact O-CA 3.32Å; E57-K63 WeakPolarHBondContact O-CA 3.38Å; E57-K63 PolarHBondContact O-N 3.14Å; E57-Y72 HydrophobicContact CB-CD2 4.15Å; E57-Y72 HydrophobicContact CB-CE2 3.67Å; E57-Y72 HydrophobicContact CG-CE2 4.16Å; E57-R592 IonicContact OE1-CZ 3.7Å; E57-R592 IonicContact OE1-NH1 2.76Å; E57-R592 PolarHBondContact OE1-NH1 3.47Å; E57-R592 IonicContact OE1-NH2 3.11Å; E57-R592 PolarHBondContact OE1-NH2 3.13Å
58	R	83.3	Confident	79.6	Confident	9 Å²	9	40.7 Å²	40.7	3%	0.034	22%	0.222	C	C	.	.	H	α-helix	trans	-72.6	-43.8	175.3	-72.7	175.2	54.9	95.6	7.8	112.8	Y54 E55 Y56 K63 Y72 K73 R74 I81 D84	Y54-R58 HydrophobicContact CE2-CG 4.26Å; Y54-R58 WeakPolarHBondContact O-CG 3.3Å; Y54-R58 PolarHBondContact O-N 3.29Å; Y54-R58 WeakPolarHBondContact OH-CD 3.27Å; Y54-R58 PolarHBondContact OH-NE 3.4Å; Y54-R58 PolarHBondContact OH-NH1 2.94Å; E55-R58 PolarHBondContact O-N 3.43Å; Y56-R58 PolarHBondContact O-N 2.82Å; R58-K63 WeakPolarHBondContact O-CG 3.36Å; R58-Y72 HydrophobicContact CG-CD2 4.15Å; R58-Y72 HydrophobicContact CG-CG 4.41Å; R58-Y72 PolarHBondContact NH1-O 3.24Å; R58-K73 PolarHBondContact NH1-O 3.47Å; R58-R74 VanDerWaalsContact NH1-CA 3.26Å; R58-R74 VanDerWaalsContact NH1-N 3.13Å; R58-I81 VanDerWaalsContact C-CD1 3.48Å; R58-I81 HydrophobicContact CB-CD1 3.51Å; R58-D84 IonicContact CZ-OD1 2.9Å; R58-D84 IonicContact CZ-OD2 3.41Å; R58-D84 IonicContact NH1-OD1 3.5Å; R58-D84 PolarHBondContact NH1-OD1 3.11Å; R58-D84 IonicContact NH2-OD1 2.8Å; R58-D84 PolarHBondContact NH2-OD1 3.38Å; R58-D84 IonicContact NH2-OD2 3.55Å; R58-D84 PolarHBondContact NH2-OD2 3.3Å
59	S	76.2	Confident	79.5	Confident	55 Å²	55	40.1 Å²	40.1	39%	0.385	22%	0.217	S	C	.	.	H	α-helix	trans	-80.1	-52	-174	52.3	0	0	0	0	112.5	E55 Y56	E55-S59 WeakPolarHBondContact O-CB 3.16Å; E55-S59 PolarHBondContact O-N 3.4Å; E55-S59 PolarHBondContact O-OG 3.33Å; Y56-S59 WeakPolarHBondContact CA-OG 3.36Å; Y56-S59 PolarHBondContact O-N 3.08Å; Y56-S59 PolarHBondContact O-OG 2.9Å
60	N	74.5	Confident	79.2	Confident	118 Å²	118	41.5 Å²	41.5	63%	0.631	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-14.6	-170.6	-67.5	-77	0	0	0	113.4	Y56	Y56-N60 HydrophobicContact CD2-CB 4.11Å; Y56-N60 HydrophobicContact CE1-CB 4.4Å; Y56-N60 HydrophobicContact CE2-CB 3.75Å; Y56-N60 PolarHBondContact O-N 3.42Å
61	G	68.3	Low	78.6	Confident	22 Å²	22	44.5 Å²	44.5	23%	0.227	24%	0.241	C	C	.	.	S	Bend	trans	-96.1	-150.7	178.3	0	0	0	0	0	113.2	Y56 E57 K63	Y56-G61 PolarHBondContact O-N 3.02Å; E57-G61 CarbonylContact O-C 3.5Å; E57-G61 WeakPolarHBondContact O-CA 3.23Å; E57-G61 PolarHBondContact O-N 2.86Å; G61-K63 VanDerWaalsContact C-N 3.3Å; G61-K63 PolarHBondContact O-N 3.32Å
62	N	69	Low	78.4	Confident	78 Å²	78	41.9 Å²	41.9	42%	0.417	23%	0.229	S	C	.	.			trans	-89.6	3.9	-169.8	-56.6	-30.9	0	0	0	114	E57 C64 Q523	E57-N62 PolarHBondContact O-N 3.02Å; E57-N62 PolarHBondContact OE2-N 2.72Å; N62-C64 PolarHBondContact O-N 3.31Å; N62-C64 PolarHBondContact O-SG 3.48Å; N62-Q523 PolarHBondContact ND2-NE2 3.35Å; N62-Q523 PolarHBondContact ND2-OE1 2.68Å; N62-Q523 PolarHBondContact OD1-NE2 3.13Å
63	K	79.3	Confident	78.1	Confident	51 Å²	51	44.9 Å²	44.9	22%	0.222	23%	0.233	C	C	.	.	S	Bend	trans	59.9	0.1	-172	-49.8	-175.1	176.6	178	0	114.7	E57 R58 G61 L71 Y72 A82	E57-K63 VanDerWaalsContact O-CA 3.32Å; E57-K63 WeakPolarHBondContact O-CA 3.38Å; E57-K63 PolarHBondContact O-N 3.14Å; R58-K63 WeakPolarHBondContact O-CG 3.36Å; G61-K63 VanDerWaalsContact C-N 3.3Å; G61-K63 PolarHBondContact O-N 3.32Å; K63-L71 HydrophobicContact CB-CD1 3.64Å; K63-L71 WeakPolarHBondContact O-CD1 3.42Å; K63-Y72 WeakPolarHBondContact O-CB 3.47Å; K63-Y72 WeakPolarHBondContact O-CD2 3.35Å; K63-Y72 PolarHBondContact O-N 2.86Å; K63-A82 PolarHBondContact NZ-O 3.29Å
64	C	80.4	Confident	77.8	Confident	7 Å²	7	51 Å²	51	5%	0.047	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-117.9	152.9	-173.2	-60.7	0	0	0	0	111.9	N62 T70 Y72	N62-C64 PolarHBondContact O-N 3.31Å; N62-C64 PolarHBondContact O-SG 3.48Å; C64-T70 CarbonylContact C-O 3.57Å; C64-T70 WeakPolarHBondContact CA-O 3.21Å; C64-Y72 WeakPolarHBondContact O-CE2 3.47Å
65	C	79.2	Confident	77.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.			trans	-61.4	124.9	172.2	177.4	0	0	0	0	110.8	C42 C45 Q67 C68 N69 T70 Y72	C42-C65 HydrophobicContact CB-CB 3.94Å; C45-C65 PolarHBondContact SG-SG 2.9Å; C65-Q67 PolarHBondContact O-N 3.4Å; C65-Q67 VanDerWaalsContact O-N 3.11Å; C65-C68 VanDerWaalsContact CB-SG 3.57Å; C65-N69 VanDerWaalsContact O-CA 3.23Å; C65-N69 WeakPolarHBondContact O-CA 3.22Å; C65-N69 PolarHBondContact O-N 3.35Å; C65-T70 PolarHBondContact N-O 2.98Å; C65-Y72 HydrophobicContact CB-CE1 3.98Å
66	P	73.2	Confident	76.9	Confident	70 Å²	70	57.4 Å²	57.4	46%	0.455	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.1	-177.2	28.3	-36.6	0	0	0	113.4	V25 Y47 Y72	V25-P66 HydrophobicContact CG2-CG 4.29Å; Y47-P66 HydrophobicContact CD1-CG 3.86Å; Y47-P66 HydrophobicContact CE1-CG 3.46Å; Y47-P66 VanDerWaalsContact CE1-CG 3.46Å; P66-Y72 VanDerWaalsContact CD-OH 3.26Å; P66-Y72 WeakPolarHBondContact CD-OH 3.45Å
67	Q	75.9	Confident	76.3	Confident	88 Å²	88	56.1 Å²	56.1	41%	0.411	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-53.9	177.1	-175.7	171.9	-68.9	0	0	112.5	Y47 C65 K203	Y47-Q67 HydrophobicContact CD1-CB 4.37Å; Y47-Q67 HydrophobicContact CD2-CB 3.74Å; Y47-Q67 HydrophobicContact CD2-CG 4.27Å; Y47-Q67 HydrophobicContact CE2-CB 4.09Å; Y47-Q67 VanDerWaalsContact CE2-OE1 3.31Å; Y47-Q67 HydrophobicContact CG-CB 3.86Å; C65-Q67 PolarHBondContact O-N 3.4Å; C65-Q67 VanDerWaalsContact O-N 3.11Å; Q67-K203 WeakPolarHBondContact O-CD 3.44Å
68	C	77	Confident	76.3	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.02	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-5.5	-171.9	67.8	0	0	0	0	114.6	C42 C45 C65 T70 K203	C42-C68 VanDerWaalsContact SG-SG 3.62Å; C45-C68 HydrophobicContact CB-CB 3.96Å; C45-C68 PolarHBondContact SG-SG 3.35Å; C65-C68 VanDerWaalsContact CB-SG 3.57Å; C68-T70 PolarHBondContact O-N 2.98Å; C68-T70 WeakPolarHBondContact SG-CB 3.38Å; C68-T70 PolarHBondContact SG-N 2.97Å; C68-T70 PolarHBondContact SG-OG1 3.44Å; C68-K203 PolarHBondContact O-N 2.91Å
69	N	78.1	Confident	76	Confident	22 Å²	22	58.9 Å²	58.9	12%	0.118	32%	0.318	C	S	.	.			trans	58.7	21.8	-174.3	-149.8	42.6	0	0	0	114.1	C65 P199 W201	C65-N69 VanDerWaalsContact O-CA 3.23Å; C65-N69 WeakPolarHBondContact O-CA 3.22Å; C65-N69 PolarHBondContact O-N 3.35Å; N69-P199 VanDerWaalsContact ND2-CB 3.32Å; N69-P199 WeakPolarHBondContact ND2-CB 3.34Å; N69-P199 WeakPolarHBondContact O-CB 3.47Å; N69-P199 VanDerWaalsContact O-CG 3.27Å; N69-P199 WeakPolarHBondContact O-CG 3.14Å; N69-W201 HydrophobicContact CB-CH2 4.23Å; N69-W201 HydrophobicContact CB-CZ2 4.39Å; N69-W201 HydrophobicContact CB-CZ3 4.43Å; N69-W201 PolarHBondContact ND2-O 3.1Å
70	T	76.7	Confident	75.9	Confident	28 Å²	28	62 Å²	62	17%	0.172	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-83.5	136.6	173.4	-57.3	0	0	0	0	109.6	V44 C64 C65 C68	V44-T70 HydrophobicContact CB-CG2 4.44Å; V44-T70 HydrophobicContact CG2-CG2 3.86Å; C64-T70 CarbonylContact C-O 3.57Å; C64-T70 WeakPolarHBondContact CA-O 3.21Å; C65-T70 PolarHBondContact N-O 2.98Å; C68-T70 PolarHBondContact O-N 2.98Å; C68-T70 WeakPolarHBondContact SG-CB 3.38Å; C68-T70 PolarHBondContact SG-N 2.97Å; C68-T70 PolarHBondContact SG-OG1 3.44Å
71	L	74.2	Confident	75.8	Confident	72 Å²	72	58.1 Å²	58.1	38%	0.377	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-57.1	137.8	174.9	-167.9	75.4	0	0	0	111.3	K63 K73	K63-L71 HydrophobicContact CB-CD1 3.64Å; K63-L71 WeakPolarHBondContact O-CD1 3.42Å; L71-K73 PolarHBondContact O-N 2.74Å
72	Y	79.9	Confident	75.5	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.016	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-72.3	124.4	173.5	-76.6	-52.1	0	0	0	110.5	A41 C42 Y54 E57 R58 K63 C64 C65 P66	A41-Y72 HydrophobicContact CB-CD1 4.4Å; A41-Y72 HydrophobicContact CB-CE1 3.74Å; A41-Y72 WeakPolarHBondContact O-CD1 3.49Å; A41-Y72 WeakPolarHBondContact O-CE1 3.31Å; C42-Y72 HydrophobicContact CB-CD1 4.4Å; C42-Y72 HydrophobicContact CB-CE1 3.92Å; Y54-Y72 AromaticContact CD2-CD1 3.73Å; Y54-Y72 HydrophobicContact CD2-CD1 3.73Å; Y54-Y72 HydrophobicContact CD2-CD2 4.15Å; Y54-Y72 HydrophobicContact CD2-CE1 4.09Å; Y54-Y72 HydrophobicContact CD2-CE2 4.49Å; Y54-Y72 AromaticContact CD2-CG 3.75Å; Y54-Y72 HydrophobicContact CD2-CG 3.75Å; Y54-Y72 AromaticContact CE2-CD1 3.98Å; Y54-Y72 HydrophobicContact CE2-CD1 3.98Å; Y54-Y72 AromaticContact CE2-CG 3.86Å; Y54-Y72 HydrophobicContact CE2-CG 3.86Å; E57-Y72 HydrophobicContact CB-CD2 4.15Å; E57-Y72 HydrophobicContact CB-CE2 3.67Å; E57-Y72 HydrophobicContact CG-CE2 4.16Å; R58-Y72 HydrophobicContact CG-CD2 4.15Å; R58-Y72 HydrophobicContact CG-CG 4.41Å; R58-Y72 PolarHBondContact NH1-O 3.24Å; K63-Y72 WeakPolarHBondContact O-CB 3.47Å; K63-Y72 WeakPolarHBondContact O-CD2 3.35Å; K63-Y72 PolarHBondContact O-N 2.86Å; C64-Y72 WeakPolarHBondContact O-CE2 3.47Å; C65-Y72 HydrophobicContact CB-CE1 3.98Å; P66-Y72 VanDerWaalsContact CD-OH 3.26Å; P66-Y72 WeakPolarHBondContact CD-OH 3.45Å
73	K	77.6	Confident	75.1	Confident	151 Å²	151	57.6 Å²	57.6	66%	0.657	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-72.5	151.2	167.5	-70.1	-168.2	172.6	-166.1	0	109.9	Y54 R58 L71 H75	Y54-K73 PolarHBondContact OH-O 2.77Å; R58-K73 PolarHBondContact NH1-O 3.47Å; L71-K73 PolarHBondContact O-N 2.74Å; K73-H75 PolarHBondContact O-N 3.21Å
74	R	78.5	Confident	74.4	Confident	136 Å²	136	56.5 Å²	56.5	51%	0.513	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-74.1	118.8	179.4	-177.8	177.2	167.8	-133.6	-3.2	110	Y54 R58 S78	Y54-R74 WeakPolarHBondContact OH-CA 3.25Å; R58-R74 VanDerWaalsContact NH1-CA 3.26Å; R58-R74 VanDerWaalsContact NH1-N 3.13Å; R74-S78 PolarHBondContact NE-O 3.07Å
75	H	78.8	Confident	73.2	Confident	37 Å²	37	64.7 Å²	64.7	17%	0.171	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-74.7	149.2	164.8	-70	-70.9	0	0	0	111.6	F39 V40 H43 Y54 K73 G77 S78	F39-H75 HydrophobicContact CE2-CB 4.47Å; F39-H75 AromaticContact CE2-CD2 3.43Å; F39-H75 VanDerWaalsContact CE2-CD2 3.43Å; F39-H75 WeakPolarHBondContact CE2-CD2 3.34Å; F39-H75 AromaticContact CE2-CG 3.9Å; F39-H75 AromaticContact CE2-NE2 3.74Å; F39-H75 AromaticContact CZ-CD2 3.58Å; F39-H75 AromaticContact CZ-NE2 3.84Å; V40-H75 PolarHBondContact O-CE1 3.46Å; V40-H75 PolarHBondContact O-NE2 2.92Å; H43-H75 AromaticContact CE1-CE1 3.52Å; H43-H75 AromaticContact NE2-CE1 3.66Å; Y54-H75 AromaticContact CE1-CD2 3.85Å; Y54-H75 AromaticContact CE2-CD2 3.63Å; Y54-H75 AromaticContact CZ-CD2 3.39Å; Y54-H75 PolarHBondContact OH-N 2.85Å; K73-H75 PolarHBondContact O-N 3.21Å; H75-G77 PolarHBondContact O-N 3.37Å; H75-S78 PolarHBondContact O-N 3.37Å
76	K	71.4	Confident	71.6	Confident	152 Å²	152	71.3 Å²	71.3	66%	0.661	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	133.2	172.6	-161.7	173	-179.3	177.5	0	109.5	S78	K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 2.73Å
77	G	71.9	Confident	70	Confident	66 Å²	66	75 Å²	75	68%	0.68	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-13.3	-176.9	0	0	0	0	0	116.7	H75	H75-G77 PolarHBondContact O-N 3.37Å
78	S	78.5	Confident	67.6	Low	2 Å²	2	78 Å²	78	1%	0.014	41%	0.412	C	S	.	.	S	Bend	trans	-82.4	145.5	173.6	-69.2	0	0	0	0	112	E55 R74 H75 K76	E55-S78 PolarHBondContact OE1-OG 3.21Å; R74-S78 PolarHBondContact NE-O 3.07Å; H75-S78 PolarHBondContact O-N 3.37Å; K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 2.73Å
79	P	76.9	Confident	65.3	Low	74 Å²	74	80.2 Å²	80.2	48%	0.481	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-60.7	139	-177	22.9	-32.6	0	0	0	111.8
80	K	74.4	Confident	63.1	Low	122 Å²	122	85.1 Å²	85.1	53%	0.53	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-67.4	134.1	171.5	-170	-179	179.7	-174	0	108.2	D84	K80-D84 WeakPolarHBondContact CA-OD2 3.42Å; K80-D84 HydrophobicContact CG-CB 4.12Å
81	I	72	Confident	60.8	Low	35 Å²	35	91.3 Å²	91.3	18%	0.179	50%	0.501	C	S	.	.			trans	-127.8	151.8	177.7	-65.5	149	0	0	0	107.9	R58 G83 D84	R58-I81 VanDerWaalsContact C-CD1 3.48Å; R58-I81 HydrophobicContact CB-CD1 3.51Å; I81-G83 PolarHBondContact O-N 3.06Å; I81-D84 PolarHBondContact N-OD2 2.88Å; I81-D84 PolarHBondContact O-N 3.31Å; I81-D84 VanDerWaalsContact O-N 3.17Å
82	A	62.3	Low	58.8	Low	39 Å²	39	95 Å²	95	32%	0.322	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	123.6	178.7	0	0	0	0	0	112	K63	K63-A82 PolarHBondContact NZ-O 3.29Å
83	G	60.4	Low	56.4	Low	50 Å²	50	99.1 Å²	99.1	52%	0.515	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	100.6	2	-176.7	0	0	0	0	0	116.7	I81	I81-G83 PolarHBondContact O-N 3.06Å
84	D	66.2	Low	54.1	Low	29 Å²	29	98.7 Å²	98.7	16%	0.155	56%	0.555	C	S	.	*			trans	-73.6	136.8	166.3	-74.8	-36	0	0	0	111	R58 K80 I81 E86	R58-D84 IonicContact CZ-OD1 2.9Å; R58-D84 IonicContact CZ-OD2 3.41Å; R58-D84 IonicContact NH1-OD1 3.5Å; R58-D84 PolarHBondContact NH1-OD1 3.11Å; R58-D84 IonicContact NH2-OD1 2.8Å; R58-D84 PolarHBondContact NH2-OD1 3.38Å; R58-D84 IonicContact NH2-OD2 3.55Å; R58-D84 PolarHBondContact NH2-OD2 3.3Å; K80-D84 WeakPolarHBondContact CA-OD2 3.42Å; K80-D84 HydrophobicContact CG-CB 4.12Å; I81-D84 PolarHBondContact N-OD2 2.88Å; I81-D84 PolarHBondContact O-N 3.31Å; I81-D84 VanDerWaalsContact O-N 3.17Å; D84-E86 PolarHBondContact O-N 3.43Å
85	E	53.7	Low	51.8	Low	179 Å²	179	99.7 Å²	99.7	84%	0.836	57%	0.571	S	S	*	*			trans	-57.3	133.6	175.8	-69.3	178	171.9	0	0	111.3	N87	E85-N87 PolarHBondContact O-N 3.29Å; E85-N87 VanDerWaalsContact O-N 3.13Å
86	E	46.6	Very low	49.5	Very low	138 Å²	138	102.8 Å²	102.8	65%	0.645	59%	0.586	S	S	*	*			trans	-73.2	95.4	172.3	-65.9	-172.8	158.6	0	0	110.2	D84 N88	D84-E86 PolarHBondContact O-N 3.43Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 3.49Å
87	N	38.1	Very low	47.5	Very low	147 Å²	147	100.7 Å²	100.7	79%	0.786	58%	0.581	S	S	*	*			trans	-75.6	92	161	-79.5	-7.7	0	0	0	108.3	E85 G89	E85-N87 PolarHBondContact O-N 3.29Å; E85-N87 VanDerWaalsContact O-N 3.13Å; N87-G89 VanDerWaalsContact C-N 3.29Å; N87-G89 PolarHBondContact O-N 3.09Å; N87-G89 VanDerWaalsContact O-N 3.1Å
88	N	27.5	Very low	45.2	Very low	151 Å²	151	103.3 Å²	103.3	81%	0.807	58%	0.579	S	S	*	*			trans	-73.4	84.7	162.9	-74.4	-36.9	0	0	0	108.6	E86	E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 3.49Å
89	G	27.4	Very low	42.8	Very low	50 Å²	50	111.2 Å²	111.2	52%	0.515	62%	0.62	S	S	.	*	S	Bend	trans	-162	129.8	172.7	0	0	0	0	0	110.1	N87	N87-G89 VanDerWaalsContact C-N 3.29Å; N87-G89 PolarHBondContact O-N 3.09Å; N87-G89 VanDerWaalsContact O-N 3.1Å
90	P	31.7	Very low	40.2	Very low	125 Å²	125	115.7 Å²	115.7	81%	0.812	63%	0.632	S	S	*	*			trans	-72.8	132.3	-176.7	30.3	-30.9	0	0	0	109.8	D92	P90-D92 PolarHBondContact O-N 3.39Å
91	D	29.9	Very low	37.8	Very low	159 Å²	159	120.9 Å²	120.9	85%	0.85	65%	0.65	S	S	*	*			trans	10.9	81.1	167.4	-77.2	-34	0	0	0	116	S93	D91-S93 PolarHBondContact O-N 3.38Å
92	D	31.7	Very low	35.4	Very low	150 Å²	150	129.5 Å²	129.5	80%	0.802	68%	0.68	S	S	*	*			trans	-71	81.4	160.2	-79	-32.9	0	0	0	108.1	P90	P90-D92 PolarHBondContact O-N 3.39Å
93	S	28.6	Very low	33.5	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	71%	0.705	S	S	*	*			trans	-53.7	130.6	148.3	46.3	0	0	0	0	108.9	D91	D91-S93 PolarHBondContact O-N 3.38Å
94	D	30.3	Very low	31.8	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	71%	0.71	S	S	*	*	S	Bend	trans	83	53.8	164.5	-49.6	-23.6	0	0	0	119.1
95	D	30.4	Very low	29.7	Very low	157 Å²	157	141.2 Å²	141.2	84%	0.84	74%	0.735	S	S	*	*			trans	-149.3	46.8	150.5	-96.9	-30.8	0	0	0	112.4
96	E	30.4	Very low	28.3	Very low	102 Å²	102	138 Å²	138	48%	0.477	73%	0.732	S	S	.	*	S	Bend	trans	-98.1	121.5	157.2	-158.3	165.5	-167.4	0	0	106.8	N35	N35-E96 PolarHBondContact ND2-OE1 2.84Å; N35-E96 PolarHBondContact ND2-OE2 3.18Å; N35-E96 VanDerWaalsContact ND2-OE2 3.14Å
97	L	29.5	Very low	27.3	Very low	107 Å²	107	136.5 Å²	136.5	56%	0.56	74%	0.737	S	S	*	*	S	Bend	trans	87.1	57.6	174.5	-48.4	168.7	0	0	0	118
98	N	22.7	Very low	26.7	Very low	122 Å²	122	137.7 Å²	137.7	65%	0.652	74%	0.741	S	S	*	*			trans	-152.4	48	148.3	-121.7	-22	0	0	0	115.7	K100	N98-K100 PolarHBondContact O-N 3.17Å; N98-K100 VanDerWaalsContact O-N 3.13Å
99	I	27.9	Very low	26.4	Very low	167 Å²	167	139.2 Å²	139.2	86%	0.856	74%	0.743	S	S	*	*			trans	-86.4	72.7	157.7	-50.6	-178.9	0	0	0	107.8	Y101	I99-Y101 PolarHBondContact O-N 3.45Å
100	K	22.5	Very low	26.3	Very low	169 Å²	169	145.1 Å²	145.1	74%	0.735	76%	0.757	S	S	*	*			trans	-55.5	127.7	153.5	-83.8	176.9	177.5	173.3	0	106.5	N98 R102	N98-K100 PolarHBondContact O-N 3.17Å; N98-K100 VanDerWaalsContact O-N 3.13Å; K100-R102 PolarHBondContact O-N 2.84Å
101	Y	23.7	Very low	25.9	Very low	231 Å²	231	147.2 Å²	147.2	91%	0.906	76%	0.761	S	S	*	*			trans	-52.6	88.9	168.3	-85.4	-94.6	0	0	0	109.3	I99 Q103	I99-Y101 PolarHBondContact O-N 3.45Å; Y101-Q103 PolarHBondContact O-N 3.48Å; Y101-Q103 VanDerWaalsContact O-N 3.15Å
102	R	21.9	Very low	25.4	Very low	215 Å²	215	150 Å²	150	81%	0.811	77%	0.767	S	S	*	*			trans	-81	96	169.6	-139.5	178	177	155.2	2.7	106.1	K100 D104	K100-R102 PolarHBondContact O-N 2.84Å; R102-D104 VanDerWaalsContact C-N 3.28Å; R102-D104 IonicContact NE-OD2 3.9Å; R102-D104 PolarHBondContact NE-OD2 3.4Å; R102-D104 PolarHBondContact O-N 3.22Å
103	Q	22.8	Very low	25	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	76%	0.761	S	S	*	*			trans	-58.1	96.8	156.5	-78.1	175.1	-47.5	0	0	107	Y101	Y101-Q103 PolarHBondContact O-N 3.48Å; Y101-Q103 VanDerWaalsContact O-N 3.15Å
104	D	23.8	Very low	24.7	Very low	118 Å²	118	153.9 Å²	153.9	63%	0.631	78%	0.775	S	S	*	*			trans	-128.9	86.7	160.9	-82.7	-41.9	0	0	0	107.9	R102	R102-D104 VanDerWaalsContact C-N 3.28Å; R102-D104 IonicContact NE-OD2 3.9Å; R102-D104 PolarHBondContact NE-OD2 3.4Å; R102-D104 PolarHBondContact O-N 3.22Å
105	G	22.3	Very low	24.4	Very low	64 Å²	64	150.4 Å²	150.4	66%	0.66	77%	0.773	S	S	*	*			trans	-74.4	141.5	147.2	0	0	0	0	0	108.6
106	S	24.8	Very low	24	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	77%	0.77	S	S	*	*			trans	93.7	137.3	174.4	90.6	0	0	0	0	116.7
107	S	25	Very low	23.7	Very low	107 Å²	107	151.4 Å²	151.4	75%	0.748	79%	0.785	S	S	*	*			trans	83.2	70.5	173.2	75.8	0	0	0	0	118.8
108	I	25.9	Very low	23.6	Very low	172 Å²	172	153.7 Å²	153.7	88%	0.882	80%	0.798	S	S	*	*			trans	-128.8	72.9	135	-56	-178.9	0	0	0	107.7
109	H	22	Very low	23.6	Very low	183 Å²	183	151.3 Å²	151.3	85%	0.847	80%	0.802	S	S	*	*			trans	-107.9	140.3	144.6	-111	-76.4	0	0	0	104.6
110	Q	24.7	Very low	23.3	Very low	174 Å²	174	150.1 Å²	150.1	81%	0.813	80%	0.797	S	S	*	*			trans	89.5	92.3	-177.3	-54.9	177.8	-14.6	0	0	114.4
111	N	23.8	Very low	23.4	Very low	168 Å²	168	153.5 Å²	153.5	90%	0.898	81%	0.807	S	S	*	*				-163.8	73.6	128.3	-89.2	-17.7	0	0	0	108.3
112	F	19.9	Very low	23.3	Very low	219 Å²	219	148.7 Å²	148.7	96%	0.961	80%	0.797	S	S	*	*			trans	-103.2	101	154.9	-95.3	-85.2	0	0	0	106.2
113	A	22.7	Very low	23.5	Very low	82 Å²	82	143.7 Å²	143.7	68%	0.678	80%	0.795	S	S	*	*			trans	172.3	111.1	154.5	0	0	0	0	0	109
114	Y	22.7	Very low	23.4	Very low	238 Å²	238	143.8 Å²	143.8	93%	0.933	79%	0.793	S	S	*	*				162	134	121.2	-99.3	-83.5	0	0	0	112
115	G	23.7	Very low	23.6	Very low	69 Å²	69	146.6 Å²	146.6	71%	0.711	80%	0.802	S	S	*	*			trans	104.5	84.1	173.3	0	0	0	0	0	112.5
116	S	21.9	Very low	23.6	Very low	112 Å²	112	151.2 Å²	151.2	78%	0.783	81%	0.807	S	S	*	*				56.2	95.6	60.6	-163.5	0	0	0	0	113.4
117	E	24.2	Very low	23.3	Very low	168 Å²	168	157.7 Å²	157.7	79%	0.785	81%	0.814	S	S	*	*				172.4	144	113.6	-94.2	178.5	175.9	0	0	111.9
118	N	27.1	Very low	23.2	Very low	156 Å²	156	162.4 Å²	162.4	83%	0.834	82%	0.816	S	S	*	*			trans	88.3	97.4	163.8	-55.9	-24.6	0	0	0	119.4
119	G	22.7	Very low	23.4	Very low	71 Å²	71	159.5 Å²	159.5	73%	0.732	81%	0.808	S	S	*	*				114.3	78.6	108.6	0	0	0	0	0	117.5
120	D	20.8	Very low	23.6	Very low	142 Å²	142	159.1 Å²	159.1	76%	0.759	81%	0.812	S	S	*	*			trans	22.2	107.3	139.8	-68.1	-36.9	0	0	0	119.5
121	Y	25.4	Very low	23.5	Very low	240 Å²	240	154.6 Å²	154.6	94%	0.941	81%	0.812	S	S	*	*			trans	-137.4	94.3	132.2	-98.9	-84.2	0	0	0	109.6	S123	Y121-S123 PolarHBondContact O-N 2.92Å
122	N	21	Very low	23.4	Very low	130 Å²	130	158.8 Å²	158.8	70%	0.695	82%	0.815	S	S	*	*			trans	-59.8	107.5	161.5	-100.9	-50.2	0	0	0	109.2
123	S	26.3	Very low	23.8	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	81%	0.809	S	S	*	*			trans	-120.4	97.4	148.3	96.4	0	0	0	0	108.4	Y121 Q125	Y121-S123 PolarHBondContact O-N 2.92Å; S123-Q125 PolarHBondContact O-N 3.42Å
124	K	21.7	Very low	23.7	Very low	184 Å²	184	159.1 Å²	159.1	80%	0.8	82%	0.82	S	S	*	*			trans	-67.7	106.5	166.6	-70.3	173.3	174.9	174.6	0	107.3
125	Q	26.8	Very low	24	Very low	178 Å²	178	152.9 Å²	152.9	83%	0.832	81%	0.811	S	S	*	*			trans	-118.8	94.8	153.3	-83.3	-172.7	-7.4	0	0	109.8	S123 W127	S123-Q125 PolarHBondContact O-N 3.42Å; Q125-W127 PolarHBondContact O-N 3.12Å
126	Q	22.6	Very low	23.9	Very low	161 Å²	161	154.2 Å²	154.2	75%	0.752	81%	0.81	S	S	*	*			trans	-37.3	108.8	165.3	-170.4	171	16.3	0	0	113
127	W	18.9	Very low	24	Very low	247 Å²	247	154.9 Å²	154.9	94%	0.936	81%	0.809	S	S	*	*			trans	-64.6	127.4	160.7	-80.2	79.8	0	0	0	110.1	Q125	Q125-W127 PolarHBondContact O-N 3.12Å
128	R	22	Very low	24.1	Very low	206 Å²	206	150.6 Å²	150.6	78%	0.777	81%	0.81	S	S	*	*			trans	-127.2	148.5	159.9	-80.7	-154	-177.4	-129.2	4.1	110.7
129	P	31.7	Very low	24	Very low	110 Å²	110	148 Å²	148	71%	0.714	80%	0.804	S	S	*	*			trans	-107.8	145.9	-153	36.7	-25.2	0	0	0	112.4
130	N	24.7	Very low	24.2	Very low	176 Å²	176	150.6 Å²	150.6	94%	0.941	81%	0.805	S	S	*	*			trans	-156.4	131.3	157.8	-100.4	-17.9	0	0	0	110.9
131	G	23.9	Very low	24.5	Very low	79 Å²	79	151.5 Å²	151.5	81%	0.814	81%	0.81	S	S	*	*			trans	108.6	85.1	150.8	0	0	0	0	0	117.6
132	R	21.3	Very low	24.6	Very low	255 Å²	255	143 Å²	143	96%	0.962	79%	0.794	S	S	*	*			trans	-27.5	132.9	155.5	-74.6	167.4	168.8	173	-4	115.7
133	A	27.4	Very low	24.8	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	80%	0.796	S	S	*	*				-165.1	118	126.2	0	0	0	0	0	109.6	S135	A133-S135 PolarHBondContact O-N 3.48Å
134	F	20.1	Very low	24.8	Very low	208 Å²	208	145.8 Å²	145.8	91%	0.912	79%	0.793	S	S	*	*			trans	-69.5	121.3	172.5	-143.1	-97.1	0	0	0	107.9
135	S	28.9	Very low	25.2	Very low	108 Å²	108	146.4 Å²	146.4	76%	0.755	80%	0.796	S	S	*	*			trans	-140.9	100.2	160.9	-168.1	0	0	0	0	109.4	A133 T137	A133-S135 PolarHBondContact O-N 3.48Å; S135-T137 PolarHBondContact O-N 3.4Å
136	S	22.6	Very low	25.2	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	79%	0.786	S	S	*	*			trans	-71.4	105.6	168.4	53.8	0	0	0	0	109.9
137	T	24.8	Very low	25.5	Very low	126 Å²	126	140 Å²	140	77%	0.773	78%	0.778	S	S	*	*			trans	-172.7	102.7	146.2	25	0	0	0	0	107.2	S135 S139	S135-T137 PolarHBondContact O-N 3.4Å; T137-S139 PolarHBondContact O-N 3.19Å
138	G	24.5	Very low	25.9	Very low	77 Å²	77	137.5 Å²	137.5	79%	0.794	78%	0.777	S	S	*	*			trans	-61.5	107.8	172.2	0	0	0	0	0	109.6	V140	G138-V140 PolarHBondContact O-N 2.89Å; G138-V140 VanDerWaalsContact O-N 3.08Å
139	S	26.8	Very low	26.4	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	77%	0.769	S	S	*	*			trans	-74.4	93	169.1	-174.8	0	0	0	0	108.5	T137 L141	T137-S139 PolarHBondContact O-N 3.19Å; S139-L141 PolarHBondContact O-N 3.49Å
140	V	27.1	Very low	26.3	Very low	124 Å²	124	136 Å²	136	75%	0.752	77%	0.766	S	S	*	*			trans	-81.6	69.8	163.8	-175.4	0	0	0	0	107.4	G138	G138-V140 PolarHBondContact O-N 2.89Å; G138-V140 VanDerWaalsContact O-N 3.08Å
141	L	26.9	Very low	26.8	Very low	162 Å²	162	129.1 Å²	129.1	85%	0.848	74%	0.737	S	S	*	*			trans	-144.9	32	172.6	-79.5	-178.2	0	0	0	112.6	S139	S139-L141 PolarHBondContact O-N 3.49Å
142	G	25.8	Very low	27.7	Very low	60 Å²	60	132.7 Å²	132.7	62%	0.619	73%	0.726	S	S	*	*	S	Bend	trans	-121.7	-12.2	178.7	0	0	0	0	0	116.3
143	K	25.6	Very low	28.8	Very low	168 Å²	168	122.8 Å²	122.8	73%	0.73	69%	0.694	S	S	*	*	S	Bend	trans	-113	-16.8	-169.3	-106.7	-176.6	174.7	-179	0	116.9	F145	K143-F145 VanDerWaalsContact C-N 3.33Å; K143-F145 PolarHBondContact O-N 3.2Å
144	D	27.3	Very low	29.9	Very low	133 Å²	133	119.8 Å²	119.8	71%	0.711	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-9.9	-176.5	-64.5	-18.9	0	0	0	113.8
145	F	29.2	Very low	31.3	Very low	196 Å²	196	112 Å²	112	86%	0.86	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-10.9	173.8	-89.1	-82	0	0	0	114.4	K143	K143-F145 VanDerWaalsContact C-N 3.33Å; K143-F145 PolarHBondContact O-N 3.2Å
146	E	27.7	Very low	32.5	Very low	135 Å²	135	110.8 Å²	110.8	63%	0.631	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-32	177.7	-66.7	-160.7	150.5	0	0	112.5	E148 R149	E146-E148 PolarHBondContact O-N 2.97Å; E146-R149 PolarHBondContact O-N 2.98Å
147	A	28.7	Very low	33.7	Very low	71 Å²	71	108.4 Å²	108.4	59%	0.587	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-76.8	-20.9	-173.1	0	0	0	0	0	115.2
148	E	27.1	Very low	35.3	Very low	193 Å²	193	106.7 Å²	106.7	90%	0.902	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-87.1	-5.1	175	-95.7	-168.9	162	0	0	113.6	E146	E146-E148 PolarHBondContact O-N 2.97Å
149	R	32.2	Very low	37.3	Very low	162 Å²	162	108.3 Å²	108.3	61%	0.611	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-105.7	12.7	179.7	-142.2	-175.2	-159.8	-152.9	2.7	113.9	E146 G151	E146-R149 PolarHBondContact O-N 2.98Å; R149-G151 PolarHBondContact O-N 2.69Å
150	D	30.6	Very low	38.9	Very low	124 Å²	124	108.8 Å²	108.8	66%	0.663	55%	0.552	S	S	*	*			trans	-70.3	66	165.2	-67	-25	0	0	0	109.2
151	G	35.4	Very low	40.3	Very low	31 Å²	31	104 Å²	104	32%	0.32	52%	0.523	S	S	.	.			trans	-60.3	155	156.8	0	0	0	0	0	108.3	R149 T153	R149-G151 PolarHBondContact O-N 2.69Å; G151-T153 VanDerWaalsContact C-N 3.34Å; G151-T153 PolarHBondContact O-N 3.32Å
152	Y	42.1	Very low	42.2	Very low	153 Å²	153	99.5 Å²	99.5	60%	0.6	50%	0.5	S	S	*	.			trans	-51.1	108.5	160.3	-92	-87.5	0	0	0	106.5	E156	Y152-E156 VanDerWaalsContact CA-OE2 3.3Å; Y152-E156 WeakPolarHBondContact CA-OE2 3.17Å; Y152-E156 HydrophobicContact CD1-CB 4.18Å
153	T	45	Very low	44.2	Very low	47 Å²	47	102 Å²	102	29%	0.288	49%	0.494	S	S	.	.			trans	-59.8	148.3	-179.8	50.4	0	0	0	0	107.6	G151 A155 E156 W157	G151-T153 VanDerWaalsContact C-N 3.34Å; G151-T153 PolarHBondContact O-N 3.32Å; T153-A155 PolarHBondContact O-N 2.83Å; T153-A155 VanDerWaalsContact O-N 3.16Å; T153-E156 PolarHBondContact N-OE2 2.94Å; T153-E156 CarbonylContact O-C 3.47Å; T153-E156 WeakPolarHBondContact O-CA 3.41Å; T153-E156 WeakPolarHBondContact O-CB 3.39Å; T153-E156 PolarHBondContact O-N 3.39Å; T153-E156 VanDerWaalsContact OG1-CB 3.31Å; T153-E156 WeakPolarHBondContact OG1-CB 3.31Å; T153-E156 VanDerWaalsContact OG1-CD 3.26Å; T153-E156 WeakPolarHBondContact OG1-CG 3.46Å; T153-E156 PolarHBondContact OG1-N 2.76Å; T153-E156 PolarHBondContact OG1-OE1 3.4Å; T153-W157 PolarHBondContact O-N 3.29Å
154	D	49.3	Very low	45.7	Very low	37 Å²	37	97 Å²	97	20%	0.198	47%	0.47	C	S	.	.	H	α-helix	trans	-57.3	-30.5	173.1	-169.1	64.9	0	0	0	110.2	K158 N363 K510	D154-K158 WeakPolarHBondContact O-CB 3.25Å; D154-K158 PolarHBondContact O-N 3.09Å; D154-N363 WeakPolarHBondContact OD2-CB 3.32Å; D154-N363 PolarHBondContact OD2-ND2 3.38Å; D154-K510 WeakPolarHBondContact OD1-CE 3.36Å; D154-K510 IonicContact OD1-NZ 3.96Å; D154-K510 PolarHBondContact OD1-NZ 3.48Å
155	A	50.5	Low	47	Very low	44 Å²	44	94.1 Å²	94.1	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-59	-48.3	166.4	0	0	0	0	0	112.5	T153 E159 D382	T153-A155 PolarHBondContact O-N 2.83Å; T153-A155 VanDerWaalsContact O-N 3.16Å; A155-E159 WeakPolarHBondContact O-CA 3.31Å; A155-E159 WeakPolarHBondContact O-CB 3.29Å; A155-E159 PolarHBondContact O-N 3.38Å; A155-D382 HydrophobicContact CB-CB 4.35Å
156	E	52.9	Low	48.5	Very low	83 Å²	83	86.6 Å²	86.6	39%	0.388	43%	0.425	S	S	.	.	H	α-helix	trans	-66.3	-39.9	175.4	-81.4	161.7	-145.8	0	0	113.7	Y152 T153 R160	Y152-E156 VanDerWaalsContact CA-OE2 3.3Å; Y152-E156 WeakPolarHBondContact CA-OE2 3.17Å; Y152-E156 HydrophobicContact CD1-CB 4.18Å; T153-E156 PolarHBondContact N-OE2 2.94Å; T153-E156 CarbonylContact O-C 3.47Å; T153-E156 WeakPolarHBondContact O-CA 3.41Å; T153-E156 WeakPolarHBondContact O-CB 3.39Å; T153-E156 PolarHBondContact O-N 3.39Å; T153-E156 VanDerWaalsContact OG1-CB 3.31Å; T153-E156 WeakPolarHBondContact OG1-CB 3.31Å; T153-E156 VanDerWaalsContact OG1-CD 3.26Å; T153-E156 WeakPolarHBondContact OG1-CG 3.46Å; T153-E156 PolarHBondContact OG1-N 2.76Å; T153-E156 PolarHBondContact OG1-OE1 3.4Å; E156-R160 VanDerWaalsContact O-CB 3.23Å; E156-R160 WeakPolarHBondContact O-CB 3.43Å; E156-R160 PolarHBondContact O-N 3.26Å
157	W	49.4	Very low	50	Low	47 Å²	47	86.8 Å²	86.8	18%	0.178	42%	0.42	C	S	.	.	H	α-helix	trans	-66.6	-47.1	175.8	173.3	82.8	0	0	0	110.4	T153 R160 V161 K510	T153-W157 PolarHBondContact O-N 3.29Å; W157-R160 CarbonylContact O-C 3.6Å; W157-R160 PolarHBondContact O-N 2.96Å; W157-R160 VanDerWaalsContact O-N 3.12Å; W157-V161 HydrophobicContact CD2-CG2 3.98Å; W157-V161 HydrophobicContact CE3-CG2 4.41Å; W157-V161 HydrophobicContact CH2-CG2 4.2Å; W157-V161 HydrophobicContact CZ2-CG2 3.72Å; W157-V161 WeakPolarHBondContact O-CG2 3.33Å; W157-V161 PolarHBondContact O-N 3.43Å; W157-K510 VanDerWaalsContact CD2-NZ 3.32Å
158	K	57.9	Low	50.8	Low	90 Å²	90	84.6 Å²	84.6	39%	0.391	40%	0.398	S	S	.	.	H	α-helix	trans	-65.6	-40.7	176.5	-178.7	170.3	-179.9	174.4	0	110.7	D154 R160 V161 D162	D154-K158 WeakPolarHBondContact O-CB 3.25Å; D154-K158 PolarHBondContact O-N 3.09Å; K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 2.91Å; K158-V161 CarbonylContact O-C 3.57Å; K158-V161 PolarHBondContact O-N 3.16Å; K158-D162 WeakPolarHBondContact CE-OD2 3.31Å; K158-D162 WeakPolarHBondContact CG-OD2 3.22Å; K158-D162 WeakPolarHBondContact O-CA 3.37Å; K158-D162 WeakPolarHBondContact O-CB 3.3Å; K158-D162 PolarHBondContact O-N 3.4Å
159	E	65.8	Low	52	Low	112 Å²	112	81 Å²	81	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-35.8	171.7	-174.4	-167.6	166.2	0	0	109.5	A155 D162 K163	A155-E159 WeakPolarHBondContact O-CA 3.31Å; A155-E159 WeakPolarHBondContact O-CB 3.29Å; A155-E159 PolarHBondContact O-N 3.38Å; E159-D162 PolarHBondContact O-N 3.38Å; E159-K163 VanDerWaalsContact O-CA 3.29Å; E159-K163 WeakPolarHBondContact O-CA 3.39Å; E159-K163 WeakPolarHBondContact O-CB 3.48Å; E159-K163 PolarHBondContact O-N 2.85Å
160	R	60.3	Low	53.1	Low	112 Å²	112	82.4 Å²	82.4	42%	0.423	39%	0.391	S	S	.	.	H	α-helix	trans	-72.1	-38.4	175.5	-150.2	171.8	79.5	89.9	-11	111.8	E156 W157 K158 W164 D276	E156-R160 VanDerWaalsContact O-CB 3.23Å; E156-R160 WeakPolarHBondContact O-CB 3.43Å; E156-R160 PolarHBondContact O-N 3.26Å; W157-R160 CarbonylContact O-C 3.6Å; W157-R160 PolarHBondContact O-N 2.96Å; W157-R160 VanDerWaalsContact O-N 3.12Å; K158-R160 VanDerWaalsContact C-N 3.26Å; K158-R160 PolarHBondContact O-N 2.91Å; R160-W164 WeakPolarHBondContact O-CA 3.38Å; R160-W164 WeakPolarHBondContact O-CB 3.46Å; R160-W164 PolarHBondContact O-N 3.14Å; R160-D276 IonicContact CZ-OD2 3.52Å; R160-D276 IonicContact NH1-OD2 2.74Å; R160-D276 VanDerWaalsContact NH2-CB 3.31Å; R160-D276 IonicContact NH2-OD1 2.8Å; R160-D276 PolarHBondContact NH2-OD1 2.89Å; R160-D276 IonicContact NH2-OD2 3.37Å; R160-D276 PolarHBondContact NH2-OD2 3.49Å
161	V	57.7	Low	53.9	Low	25 Å²	25	82.9 Å²	82.9	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-68.6	-36.6	172.5	171.6	0	0	0	0	110.9	W157 K158 W164 K165	W157-V161 HydrophobicContact CD2-CG2 3.98Å; W157-V161 HydrophobicContact CE3-CG2 4.41Å; W157-V161 HydrophobicContact CH2-CG2 4.2Å; W157-V161 HydrophobicContact CZ2-CG2 3.72Å; W157-V161 WeakPolarHBondContact O-CG2 3.33Å; W157-V161 PolarHBondContact O-N 3.43Å; K158-V161 CarbonylContact O-C 3.57Å; K158-V161 PolarHBondContact O-N 3.16Å; V161-W164 CarbonylContact O-C 3.52Å; V161-W164 WeakPolarHBondContact O-CB 3.29Å; V161-W164 PolarHBondContact O-N 2.86Å; V161-K165 HydrophobicContact CG1-CD 4.29Å; V161-K165 HydrophobicContact CG1-CG 4.5Å; V161-K165 WeakPolarHBondContact O-CB 3.37Å; V161-K165 VanDerWaalsContact O-CG 3.22Å; V161-K165 WeakPolarHBondContact O-CG 3.21Å; V161-K165 PolarHBondContact O-N 3.24Å
162	D	65.4	Low	53.9	Low	66 Å²	66	83.4 Å²	83.4	35%	0.353	39%	0.389	S	S	.	.	H	α-helix	trans	-84	-35.8	-177.2	-73.3	-8.9	0	0	0	110.2	K158 E159 W164 K165 A166	K158-D162 WeakPolarHBondContact CE-OD2 3.31Å; K158-D162 WeakPolarHBondContact CG-OD2 3.22Å; K158-D162 WeakPolarHBondContact O-CA 3.37Å; K158-D162 WeakPolarHBondContact O-CB 3.3Å; K158-D162 PolarHBondContact O-N 3.4Å; E159-D162 PolarHBondContact O-N 3.38Å; D162-W164 VanDerWaalsContact C-N 3.28Å; D162-K165 CarbonylContact O-C 3.5Å; D162-K165 PolarHBondContact O-N 3.04Å; D162-A166 WeakPolarHBondContact O-CA 3.42Å; D162-A166 WeakPolarHBondContact O-CB 3.41Å; D162-A166 PolarHBondContact O-N 3.11Å
163	K	68.6	Low	53.9	Low	113 Å²	113	80 Å²	80	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-68.5	-32.3	166.8	-176.6	177.8	-173.5	168.8	0	110	E159 R167	E159-K163 VanDerWaalsContact O-CA 3.29Å; E159-K163 WeakPolarHBondContact O-CA 3.39Å; E159-K163 WeakPolarHBondContact O-CB 3.48Å; E159-K163 PolarHBondContact O-N 2.85Å; K163-R167 WeakPolarHBondContact O-CB 3.42Å; K163-R167 WeakPolarHBondContact O-CG 3.32Å; K163-R167 PolarHBondContact O-N 3.37Å
164	W	57.6	Low	53.3	Low	62 Å²	62	82.8 Å²	82.8	24%	0.235	40%	0.398	C	S	.	.	H	α-helix	trans	-69.7	-49.1	168.7	173.8	89.4	0	0	0	110.5	R160 V161 D162 A166 R167 Q168 M280	R160-W164 WeakPolarHBondContact O-CA 3.38Å; R160-W164 WeakPolarHBondContact O-CB 3.46Å; R160-W164 PolarHBondContact O-N 3.14Å; V161-W164 CarbonylContact O-C 3.52Å; V161-W164 WeakPolarHBondContact O-CB 3.29Å; V161-W164 PolarHBondContact O-N 2.86Å; D162-W164 VanDerWaalsContact C-N 3.28Å; W164-A166 VanDerWaalsContact C-N 3.33Å; W164-A166 PolarHBondContact O-N 2.88Å; W164-R167 CarbonylContact O-C 3.54Å; W164-R167 VanDerWaalsContact O-CA 3.31Å; W164-R167 WeakPolarHBondContact O-CA 3.24Å; W164-R167 VanDerWaalsContact O-CB 3.27Å; W164-R167 WeakPolarHBondContact O-CB 3.34Å; W164-R167 PolarHBondContact O-N 2.94Å; W164-Q168 HydrophobicContact CD2-CG 4.03Å; W164-Q168 HydrophobicContact CE3-CG 4.21Å; W164-Q168 HydrophobicContact CH2-CG 3.89Å; W164-Q168 HydrophobicContact CZ2-CG 3.72Å; W164-Q168 HydrophobicContact CZ3-CG 4.14Å; W164-Q168 WeakPolarHBondContact O-CG 3.15Å; W164-Q168 PolarHBondContact O-N 3.06Å; W164-M280 HydrophobicContact CH2-CG 4.42Å; W164-M280 HydrophobicContact CZ2-CG 3.74Å; W164-M280 HydrophobicContact CZ2-SD 4.19Å; W164-M280 PolarHBondContact NE1-SD 3.45Å; W164-M280 VanDerWaalsContact NE1-SD 3.43Å
165	K	54.6	Low	52.4	Low	74 Å²	74	86.3 Å²	86.3	32%	0.322	42%	0.421	S	S	.	.	H	α-helix	trans	-58.8	-44	174.6	-78.5	174.5	177.9	-173.6	0	111.2	V161 D162 R167 Q168 E169	V161-K165 HydrophobicContact CG1-CD 4.29Å; V161-K165 HydrophobicContact CG1-CG 4.5Å; V161-K165 WeakPolarHBondContact O-CB 3.37Å; V161-K165 VanDerWaalsContact O-CG 3.22Å; V161-K165 WeakPolarHBondContact O-CG 3.21Å; V161-K165 PolarHBondContact O-N 3.24Å; D162-K165 CarbonylContact O-C 3.5Å; D162-K165 PolarHBondContact O-N 3.04Å; K165-R167 VanDerWaalsContact C-N 3.29Å; K165-R167 PolarHBondContact O-N 2.84Å; K165-Q168 CarbonylContact O-C 3.56Å; K165-Q168 WeakPolarHBondContact O-CA 3.5Å; K165-Q168 VanDerWaalsContact O-CB 3.26Å; K165-Q168 WeakPolarHBondContact O-CB 3.5Å; K165-Q168 PolarHBondContact O-N 3.48Å; K165-E169 WeakPolarHBondContact O-CB 3.28Å; K165-E169 WeakPolarHBondContact O-CG 3.37Å; K165-E169 PolarHBondContact O-N 3.19Å
166	A	60.2	Low	51.4	Low	37 Å²	37	94.1 Å²	94.1	31%	0.306	45%	0.446	S	S	.	.	H	α-helix	trans	-68.3	-28.2	174.1	0	0	0	0	0	111.8	D162 W164 K170	D162-A166 WeakPolarHBondContact O-CA 3.42Å; D162-A166 WeakPolarHBondContact O-CB 3.41Å; D162-A166 PolarHBondContact O-N 3.11Å; W164-A166 VanDerWaalsContact C-N 3.33Å; W164-A166 PolarHBondContact O-N 2.88Å; A166-K170 WeakPolarHBondContact O-CA 3.41Å; A166-K170 WeakPolarHBondContact O-CB 3.48Å; A166-K170 VanDerWaalsContact O-CG 3.27Å; A166-K170 WeakPolarHBondContact O-CG 3.47Å; A166-K170 PolarHBondContact O-N 3.46Å
167	R	59.7	Low	50.2	Low	140 Å²	140	93 Å²	93	53%	0.528	46%	0.457	S	S	.	.	H	α-helix	trans	-70.9	-34.8	166.8	-83.5	169.8	-179.6	-175.2	-1.5	111.2	K163 W164 K165 R171	K163-R167 WeakPolarHBondContact O-CB 3.42Å; K163-R167 WeakPolarHBondContact O-CG 3.32Å; K163-R167 PolarHBondContact O-N 3.37Å; W164-R167 CarbonylContact O-C 3.54Å; W164-R167 VanDerWaalsContact O-CA 3.31Å; W164-R167 WeakPolarHBondContact O-CA 3.24Å; W164-R167 VanDerWaalsContact O-CB 3.27Å; W164-R167 WeakPolarHBondContact O-CB 3.34Å; W164-R167 PolarHBondContact O-N 2.94Å; K165-R167 VanDerWaalsContact C-N 3.29Å; K165-R167 PolarHBondContact O-N 2.84Å; R167-R171 WeakPolarHBondContact O-CB 3.2Å; R167-R171 WeakPolarHBondContact O-CD 3.26Å; R167-R171 WeakPolarHBondContact O-CG 3.32Å; R167-R171 PolarHBondContact O-N 2.92Å
168	Q	45	Very low	49.3	Very low	25 Å²	25	99.9 Å²	99.9	12%	0.117	49%	0.491	C	S	.	.	H	α-helix	trans	-66.1	-48.3	172.2	-62.8	-61.2	-41.8	0	0	110.4	W164 K165 R171 G172 L173	W164-Q168 HydrophobicContact CD2-CG 4.03Å; W164-Q168 HydrophobicContact CE3-CG 4.21Å; W164-Q168 HydrophobicContact CH2-CG 3.89Å; W164-Q168 HydrophobicContact CZ2-CG 3.72Å; W164-Q168 HydrophobicContact CZ3-CG 4.14Å; W164-Q168 WeakPolarHBondContact O-CG 3.15Å; W164-Q168 PolarHBondContact O-N 3.06Å; K165-Q168 CarbonylContact O-C 3.56Å; K165-Q168 WeakPolarHBondContact O-CA 3.5Å; K165-Q168 VanDerWaalsContact O-CB 3.26Å; K165-Q168 WeakPolarHBondContact O-CB 3.5Å; K165-Q168 PolarHBondContact O-N 3.48Å; Q168-R171 CarbonylContact O-C 3.52Å; Q168-R171 PolarHBondContact O-N 2.91Å; Q168-G172 PolarHBondContact O-N 2.99Å; Q168-G172 VanDerWaalsContact O-N 3.08Å; Q168-L173 PolarHBondContact O-N 2.79Å; Q168-L173 VanDerWaalsContact O-N 3.07Å
169	E	51.1	Low	47.9	Very low	116 Å²	116	104.8 Å²	104.8	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-46.9	176.6	-70.5	174.1	174.3	0	0	111.3	K165 R171 G172 V174	K165-E169 WeakPolarHBondContact O-CB 3.28Å; K165-E169 WeakPolarHBondContact O-CG 3.37Å; K165-E169 PolarHBondContact O-N 3.19Å; E169-R171 VanDerWaalsContact C-N 3.27Å; E169-R171 PolarHBondContact O-N 3.39Å; E169-G172 PolarHBondContact O-N 3.18Å; E169-V174 HydrophobicContact CG-CB 4.32Å; E169-V174 HydrophobicContact CG-CG2 4.26Å
170	K	56.3	Low	46.3	Very low	192 Å²	192	104.1 Å²	104.1	84%	0.835	52%	0.52	S	S	*	.	H	α-helix	trans	-67.7	-24.4	175.6	-81.7	-175.1	172	-176.7	0	113.6	A166 G172	A166-K170 WeakPolarHBondContact O-CA 3.41Å; A166-K170 WeakPolarHBondContact O-CB 3.48Å; A166-K170 VanDerWaalsContact O-CG 3.27Å; A166-K170 WeakPolarHBondContact O-CG 3.47Å; A166-K170 PolarHBondContact O-N 3.46Å; K170-G172 VanDerWaalsContact C-N 3.29Å
171	R	47	Very low	45	Very low	134 Å²	134	105.3 Å²	105.3	51%	0.506	53%	0.534	S	S	.	.	H	α-helix	trans	-85.1	-4.5	172.9	-72.8	175	176.8	-165	-4.5	112.5	R167 Q168 E169	R167-R171 WeakPolarHBondContact O-CB 3.2Å; R167-R171 WeakPolarHBondContact O-CD 3.26Å; R167-R171 WeakPolarHBondContact O-CG 3.32Å; R167-R171 PolarHBondContact O-N 2.92Å; Q168-R171 CarbonylContact O-C 3.52Å; Q168-R171 PolarHBondContact O-N 2.91Å; E169-R171 VanDerWaalsContact C-N 3.27Å; E169-R171 PolarHBondContact O-N 3.39Å
172	G	36.3	Very low	44.1	Very low	42 Å²	42	111.8 Å²	111.8	43%	0.433	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	106.6	2.2	166.6	0	0	0	0	0	115.7	Q168 E169 K170 V174	Q168-G172 PolarHBondContact O-N 2.99Å; Q168-G172 VanDerWaalsContact O-N 3.08Å; E169-G172 PolarHBondContact O-N 3.18Å; K170-G172 VanDerWaalsContact C-N 3.29Å; G172-V174 PolarHBondContact O-N 2.81Å; G172-V174 VanDerWaalsContact O-N 3.15Å
173	L	41	Very low	42.8	Very low	82 Å²	82	115.2 Å²	115.2	43%	0.429	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	6.3	-175.5	-87.5	151.6	0	0	0	115.7	Q168 L192	Q168-L173 PolarHBondContact O-N 2.79Å; Q168-L173 VanDerWaalsContact O-N 3.07Å; L173-L192 HydrophobicContact CD1-CD1 3.64Å
174	V	32.4	Very low	41.3	Very low	106 Å²	106	117.1 Å²	117.1	64%	0.642	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143	68	167	-168	0	0	0	0	109.8	E169 G172	E169-V174 HydrophobicContact CG-CB 4.32Å; E169-V174 HydrophobicContact CG-CG2 4.26Å; G172-V174 PolarHBondContact O-N 2.81Å; G172-V174 VanDerWaalsContact O-N 3.15Å
175	T	31.1	Very low	40.4	Very low	110 Å²	110	119 Å²	119	68%	0.675	60%	0.601	S	S	*	*			trans	-121.8	111.2	162.6	-38.2	0	0	0	0	109.6	G177	T175-G177 PolarHBondContact O-N 2.7Å
176	K	28.2	Very low	39.7	Very low	208 Å²	208	121 Å²	121	90%	0.904	62%	0.615	S	S	*	*			trans	-50.7	122.5	159.8	-84.7	172.7	167.5	174.2	0	108.7
177	G	28.4	Very low	38.8	Very low	60 Å²	60	124.4 Å²	124.4	62%	0.619	63%	0.628	S	S	*	*	S	Bend	trans	93.9	118.2	156.2	0	0	0	0	0	114.6	T175	T175-G177 PolarHBondContact O-N 2.7Å
178	E	30.2	Very low	38	Very low	191 Å²	191	121 Å²	121	89%	0.893	62%	0.618	S	S	*	*	S	Bend	trans	75.6	106.2	141.7	-61.8	178.7	166.2	0	0	117.5
179	Q	30.2	Very low	38.1	Very low	193 Å²	193	126.1 Å²	126.1	90%	0.902	64%	0.642	S	S	*	*			trans	77.5	90.4	155.3	-60	176.7	-9.5	0	0	116.2
180	T	30.8	Very low	37.7	Very low	99 Å²	99	125.5 Å²	125.5	61%	0.607	64%	0.639	S	S	*	*			trans	-121.3	127.8	164.8	28.4	0	0	0	0	110.8	E182 E185	T180-E182 PolarHBondContact O-N 3.38Å; T180-E185 WeakPolarHBondContact CB-OE1 3.36Å; T180-E185 PolarHBondContact OG1-OE1 3.37Å
181	N	34.3	Very low	37.3	Very low	136 Å²	136	122.6 Å²	122.6	73%	0.727	62%	0.624	S	S	*	*			trans	-58.9	124.3	168.1	-74.2	-39.3	0	0	0	108.9	D183 K184	N181-D183 PolarHBondContact O-N 2.8Å; N181-K184 PolarHBondContact O-N 3.1Å
182	E	37	Very low	37.3	Very low	162 Å²	162	118.1 Å²	118.1	76%	0.757	61%	0.61	S	S	*	*	H	α-helix	trans	-55.5	-25.5	-175.2	-65.1	175	164.5	0	0	113.1	T180 K184	T180-E182 PolarHBondContact O-N 3.38Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.19Å
183	D	39.3	Very low	38.1	Very low	137 Å²	137	119 Å²	119	73%	0.733	60%	0.604	S	S	*	*	H	α-helix	trans	-72.4	-14.7	-176.5	-60.6	-30.8	0	0	0	115.2	N181	N181-D183 PolarHBondContact O-N 2.8Å
184	K	36.3	Very low	38.7	Very low	153 Å²	153	115.8 Å²	115.8	67%	0.665	59%	0.59	S	S	*	*	H	α-helix	trans	-99.1	-23.4	-179.2	-76.6	-172.5	177.9	-179.9	0	114.6	N181 E182 E188	N181-K184 PolarHBondContact O-N 3.1Å; E182-K184 VanDerWaalsContact C-N 3.32Å; E182-K184 PolarHBondContact O-N 3.19Å; K184-E188 WeakPolarHBondContact O-CG 3.49Å
185	E	38.1	Very low	39.8	Very low	102 Å²	102	112.8 Å²	112.8	48%	0.477	57%	0.569	S	S	.	*	H	α-helix	trans	-74.9	-36.6	-179.1	-69.8	-177.9	175.9	0	0	111.3	T180 E188 E189	T180-E185 WeakPolarHBondContact CB-OE1 3.36Å; T180-E185 PolarHBondContact OG1-OE1 3.37Å; E185-E188 PolarHBondContact O-N 3.48Å; E185-E189 PolarHBondContact O-N 3.19Å
186	D	40.5	Very low	41.1	Very low	115 Å²	115	107.9 Å²	107.9	62%	0.615	54%	0.54	S	S	*	.	H	α-helix	trans	-65.5	-42.6	179.4	-76.8	-17.9	0	0	0	112.7	E188 E190	D186-E188 VanDerWaalsContact C-N 3.33Å; D186-E188 PolarHBondContact O-N 3.32Å; D186-E190 VanDerWaalsContact O-CB 3.28Å; D186-E190 WeakPolarHBondContact O-CB 3.26Å; D186-E190 PolarHBondContact O-N 3.43Å
187	D	42	Very low	43	Very low	109 Å²	109	104.4 Å²	104.4	58%	0.583	52%	0.521	S	S	*	.	H	α-helix	trans	-66.4	-33.8	178.4	-77.8	-22.5	0	0	0	112.1	Y191	D187-Y191 WeakPolarHBondContact O-CB 3.29Å; D187-Y191 PolarHBondContact O-N 3.25Å
188	E	43.6	Very low	45.1	Very low	69 Å²	69	103.8 Å²	103.8	32%	0.322	50%	0.502	S	S	.	.	H	α-helix	trans	-80.6	-40.1	-177.8	-71.4	-173.2	-172.8	0	0	112.8	K184 E185 D186 E190 Y191 L192	K184-E188 WeakPolarHBondContact O-CG 3.49Å; E185-E188 PolarHBondContact O-N 3.48Å; D186-E188 VanDerWaalsContact C-N 3.33Å; D186-E188 PolarHBondContact O-N 3.32Å; E188-E190 VanDerWaalsContact C-N 3.32Å; E188-Y191 PolarHBondContact O-N 3.46Å; E188-L192 WeakPolarHBondContact O-CG 3.1Å; E188-L192 PolarHBondContact O-N 3.31Å
189	E	45.1	Very low	47.6	Very low	133 Å²	133	95.3 Å²	95.3	62%	0.621	46%	0.463	S	S	*	.	H	α-helix	trans	-62	-40.9	168	-79.5	-161	162.5	0	0	111.1	E185 Y191 L192 D193	E185-E189 PolarHBondContact O-N 3.19Å; E189-Y191 VanDerWaalsContact C-N 3.35Å; E189-Y191 PolarHBondContact O-N 2.96Å; E189-L192 PolarHBondContact O-N 3.4Å; E189-D193 WeakPolarHBondContact O-CB 3.36Å; E189-D193 PolarHBondContact O-N 3.44Å
190	E	43.6	Very low	50.4	Low	103 Å²	103	86.1 Å²	86.1	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-41.2	175	-174.6	174.2	-179.6	0	0	111.8	D186 E188 D193 A194	D186-E190 VanDerWaalsContact O-CB 3.28Å; D186-E190 WeakPolarHBondContact O-CB 3.26Å; D186-E190 PolarHBondContact O-N 3.43Å; E188-E190 VanDerWaalsContact C-N 3.32Å; E190-D193 PolarHBondContact O-N 2.69Å; E190-A194 WeakPolarHBondContact O-CB 3.45Å; E190-A194 PolarHBondContact O-N 2.72Å
191	Y	47.4	Very low	53.3	Low	130 Å²	130	82 Å²	82	51%	0.51	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-44.4	176.5	-175.5	-92.8	0	0	0	112.4	D187 E188 E189 D193 A194 E195	D187-Y191 WeakPolarHBondContact O-CB 3.29Å; D187-Y191 PolarHBondContact O-N 3.25Å; E188-Y191 PolarHBondContact O-N 3.46Å; E189-Y191 VanDerWaalsContact C-N 3.35Å; E189-Y191 PolarHBondContact O-N 2.96Å; Y191-D193 VanDerWaalsContact C-N 3.33Å; Y191-D193 PolarHBondContact O-N 2.88Å; Y191-A194 WeakPolarHBondContact O-CB 3.44Å; Y191-A194 PolarHBondContact O-N 3.18Å; Y191-A194 VanDerWaalsContact O-N 3.14Å; Y191-E195 PolarHBondContact O-N 3.22Å
192	L	47.8	Very low	55.9	Low	40 Å²	40	79.1 Å²	79.1	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-62.7	-39.9	175.4	-75.6	175.4	0	0	0	112.2	L173 E188 E189 A194 E195 A196	L173-L192 HydrophobicContact CD1-CD1 3.64Å; E188-L192 WeakPolarHBondContact O-CG 3.1Å; E188-L192 PolarHBondContact O-N 3.31Å; E189-L192 PolarHBondContact O-N 3.4Å; L192-A194 VanDerWaalsContact C-N 3.3Å; L192-A194 PolarHBondContact O-N 3.02Å; L192-E195 PolarHBondContact O-N 3.41Å; L192-A196 WeakPolarHBondContact O-CB 3.32Å; L192-A196 PolarHBondContact O-N 2.78Å
193	D	52	Low	58.4	Low	60 Å²	60	74.3 Å²	74.3	32%	0.321	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-32.3	173.6	-93.8	3.8	0	0	0	112.4	E189 E190 Y191 R197 R284	E189-D193 WeakPolarHBondContact O-CB 3.36Å; E189-D193 PolarHBondContact O-N 3.44Å; E190-D193 PolarHBondContact O-N 2.69Å; Y191-D193 VanDerWaalsContact C-N 3.33Å; Y191-D193 PolarHBondContact O-N 2.88Å; D193-R197 VanDerWaalsContact O-CD 3.28Å; D193-R197 WeakPolarHBondContact O-CD 3.42Å; D193-R197 WeakPolarHBondContact O-CG 3.36Å; D193-R197 PolarHBondContact O-N 3.29Å; D193-R197 PolarHBondContact O-NE 2.79Å; D193-R197 IonicContact OD2-NH2 3.76Å; D193-R284 IonicContact OD1-CZ 2.72Å; D193-R284 IonicContact OD1-NH1 3.86Å; D193-R284 IonicContact OD1-NH2 3.56Å; D193-R284 PolarHBondContact OD1-NH2 2.9Å
194	A	53.6	Low	60.7	Low	16 Å²	16	69.7 Å²	69.7	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-68.1	-42.6	172.6	0	0	0	0	0	112.3	E190 Y191 L192 R197	E190-A194 WeakPolarHBondContact O-CB 3.45Å; E190-A194 PolarHBondContact O-N 2.72Å; Y191-A194 WeakPolarHBondContact O-CB 3.44Å; Y191-A194 PolarHBondContact O-N 3.18Å; Y191-A194 VanDerWaalsContact O-N 3.14Å; L192-A194 VanDerWaalsContact C-N 3.3Å; L192-A194 PolarHBondContact O-N 3.02Å; A194-R197 PolarHBondContact O-N 3.16Å
195	E	57.2	Low	63	Low	42 Å²	42	65 Å²	65	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-68.5	-38.1	176.8	-163.1	170.2	-162.9	0	0	111.7	Y191 L192 R197 Q198 M280	Y191-E195 PolarHBondContact O-N 3.22Å; L192-E195 PolarHBondContact O-N 3.41Å; E195-R197 PolarHBondContact O-N 3.13Å; E195-Q198 WeakPolarHBondContact O-CB 3.42Å; E195-Q198 VanDerWaalsContact O-CG 3.22Å; E195-Q198 WeakPolarHBondContact O-CG 3.48Å; E195-Q198 PolarHBondContact O-N 3.09Å; E195-Q198 VanDerWaalsContact O-N 3.08Å; E195-M280 VanDerWaalsContact CD-SD 3.58Å; E195-M280 HydrophobicContact CG-CE 3.71Å; E195-M280 HydrophobicContact CG-SD 3.93Å
196	A	57.8	Low	65.5	Low	7 Å²	7	61.2 Å²	61.2	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-19.4	175.1	0	0	0	0	0	113.9	L192 Q198 R281	L192-A196 WeakPolarHBondContact O-CB 3.32Å; L192-A196 PolarHBondContact O-N 2.78Å; A196-Q198 VanDerWaalsContact C-N 3.27Å; A196-R281 HydrophobicContact CB-CB 4.4Å; A196-R281 WeakPolarHBondContact O-CD 3.28Å
197	R	67.6	Low	67.8	Low	136 Å²	136	58.8 Å²	58.8	51%	0.513	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.1	173.1	-73.2	163.9	-167.5	160.9	3.1	113	D193 A194 E195	D193-R197 VanDerWaalsContact O-CD 3.28Å; D193-R197 WeakPolarHBondContact O-CD 3.42Å; D193-R197 WeakPolarHBondContact O-CG 3.36Å; D193-R197 PolarHBondContact O-N 3.29Å; D193-R197 PolarHBondContact O-NE 2.79Å; D193-R197 IonicContact OD2-NH2 3.76Å; A194-R197 PolarHBondContact O-N 3.16Å; E195-R197 PolarHBondContact O-N 3.13Å
198	Q	73.6	Confident	70	Confident	47 Å²	47	57.6 Å²	57.6	22%	0.22	29%	0.286	C	S	.	.	S	Bend	trans	-64.2	151.8	179.1	-70.1	-175.9	9.1	0	0	112.5	E195 A196 L200 R277	E195-Q198 WeakPolarHBondContact O-CB 3.42Å; E195-Q198 VanDerWaalsContact O-CG 3.22Å; E195-Q198 WeakPolarHBondContact O-CG 3.48Å; E195-Q198 PolarHBondContact O-N 3.09Å; E195-Q198 VanDerWaalsContact O-N 3.08Å; A196-Q198 VanDerWaalsContact C-N 3.27Å; Q198-L200 PolarHBondContact O-N 3.28Å; Q198-R277 HydrophobicContact CB-CG 4.48Å
199	P	82.2	Confident	72.3	Confident	12 Å²	12	57.7 Å²	57.7	8%	0.078	29%	0.294	C	S	.	.			trans	-64.6	131.4	177.4	26	-33.8	0	0	0	110.8	N69 W201 R277	N69-P199 VanDerWaalsContact ND2-CB 3.32Å; N69-P199 WeakPolarHBondContact ND2-CB 3.34Å; N69-P199 WeakPolarHBondContact O-CB 3.47Å; N69-P199 VanDerWaalsContact O-CG 3.27Å; N69-P199 WeakPolarHBondContact O-CG 3.14Å; P199-W201 PolarHBondContact O-N 3.14Å; P199-R277 VanDerWaalsContact O-CD 3.24Å; P199-R277 WeakPolarHBondContact O-CD 3.5Å; P199-R277 PolarHBondContact O-NH1 3.47Å
200	L	88.6	Confident	74.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-74	-12.2	-180	-59.1	176.5	0	0	0	113	Q198 Y274 R277 L278 F282 C517	Q198-L200 PolarHBondContact O-N 3.28Å; L200-Y274 PolarHBondContact O-N 3.22Å; L200-R277 HydrophobicContact CD2-CB 3.9Å; L200-L278 HydrophobicContact CD1-CD1 3.99Å; L200-L278 HydrophobicContact CD2-CB 4.3Å; L200-L278 HydrophobicContact CD2-CD1 4.49Å; L200-F282 HydrophobicContact CD1-CE2 4Å; L200-C517 HydrophobicContact CB-CB 4.1Å; L200-C517 WeakPolarHBondContact CB-O 3.18Å
201	W	91.9	Very high	76.9	Confident	14 Å²	14	51 Å²	51	5%	0.053	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159	-178.2	64.1	-81.4	0	0	0	110.5	N69 P199 K203 E272 F518 D521 L524	N69-W201 HydrophobicContact CB-CH2 4.23Å; N69-W201 HydrophobicContact CB-CZ2 4.39Å; N69-W201 HydrophobicContact CB-CZ3 4.43Å; N69-W201 PolarHBondContact ND2-O 3.1Å; P199-W201 PolarHBondContact O-N 3.14Å; W201-K203 HydrophobicContact CE3-CG 4.43Å; W201-K203 HydrophobicContact CH2-CG 4.39Å; W201-K203 HydrophobicContact CZ3-CD 4.36Å; W201-K203 HydrophobicContact CZ3-CG 3.56Å; W201-E272 CarbonylContact C-O 3.35Å; W201-E272 WeakPolarHBondContact CA-O 3.16Å; W201-E272 WeakPolarHBondContact CB-O 3.23Å; W201-F518 HydrophobicContact CB-CD1 3.94Å; W201-F518 HydrophobicContact CB-CE1 3.45Å; W201-F518 VanDerWaalsContact CB-CE1 3.45Å; W201-F518 HydrophobicContact CB-CZ 4.07Å; W201-F518 AromaticContact CD1-CD1 3.89Å; W201-F518 AromaticContact CD2-CD1 3.74Å; W201-F518 HydrophobicContact CD2-CD1 3.74Å; W201-F518 AromaticContact CD2-CE1 3.65Å; W201-F518 HydrophobicContact CD2-CE1 3.65Å; W201-F518 HydrophobicContact CE3-CD1 4.21Å; W201-F518 AromaticContact CE3-CE1 3.79Å; W201-F518 HydrophobicContact CE3-CE1 3.79Å; W201-F518 AromaticContact CG-CD1 3.54Å; W201-F518 HydrophobicContact CG-CD1 3.54Å; W201-F518 AromaticContact CG-CE1 3.47Å; W201-F518 HydrophobicContact CG-CE1 3.47Å; W201-F518 VanDerWaalsContact CG-CE1 3.47Å; W201-D521 PolarHBondContact NE1-OD2 3.11Å; W201-L524 HydrophobicContact CH2-CD2 3.84Å; W201-L524 HydrophobicContact CZ2-CB 4.11Å; W201-L524 HydrophobicContact CZ2-CD2 3.39Å; W201-L524 HydrophobicContact CZ2-CG 4.27Å
202	R	88.9	Confident	79.2	Confident	74 Å²	74	47 Å²	47	28%	0.279	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.4	173.1	65.8	169.1	-179.6	178.6	0.8	112.2	V204 R271 E272 Y274	R202-V204 HydrophobicContact CG-CG2 4.39Å; R202-R271 WeakPolarHBondContact O-CA 3.47Å; R202-E272 HydrophobicContact CG-CB 4.08Å; R202-E272 IonicContact CZ-OE2 3.09Å; R202-E272 PolarHBondContact N-O 2.61Å; R202-E272 IonicContact NE-OE2 2.67Å; R202-E272 PolarHBondContact NE-OE2 3.13Å; R202-E272 IonicContact NH2-OE1 3.61Å; R202-E272 IonicContact NH2-OE2 3.34Å; R202-E272 PolarHBondContact NH2-OE2 3.34Å; R202-E272 PolarHBondContact O-N 2.93Å; R202-E272 VanDerWaalsContact O-N 3.09Å; R202-Y274 HydrophobicContact CB-CE2 4.23Å; R202-Y274 WeakPolarHBondContact CD-OH 3.37Å; R202-Y274 HydrophobicContact CG-CE2 3.91Å; R202-Y274 PolarHBondContact NE-OH 2.66Å
203	K	89.5	Confident	81.5	Confident	62 Å²	62	47.1 Å²	47.1	27%	0.27	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.5	164.9	-54.2	-171.9	-174.3	166	0	109.2	Q67 C68 W201 P205 I269 N270	Q67-K203 WeakPolarHBondContact O-CD 3.44Å; C68-K203 PolarHBondContact O-N 2.91Å; W201-K203 HydrophobicContact CE3-CG 4.43Å; W201-K203 HydrophobicContact CH2-CG 4.39Å; W201-K203 HydrophobicContact CZ3-CD 4.36Å; W201-K203 HydrophobicContact CZ3-CG 3.56Å; K203-P205 VanDerWaalsContact O-CD 3.32Å; K203-P205 WeakPolarHBondContact O-CD 3.23Å; K203-I269 HydrophobicContact CD-CD1 3.94Å; K203-I269 HydrophobicContact CG-CD1 4.44Å; K203-N270 WeakPolarHBondContact CA-O 3.38Å
204	V	87.7	Confident	83.6	Confident	40 Å²	40	44.3 Å²	44.3	24%	0.242	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.7	169.5	-177.6	0	0	0	0	107	R202 N270 E272	R202-V204 HydrophobicContact CG-CG2 4.39Å; V204-N270 HydrophobicContact CB-CB 4.12Å; V204-N270 PolarHBondContact N-O 3.37Å; V204-N270 PolarHBondContact O-N 2.94Å; V204-N270 VanDerWaalsContact O-N 3.11Å; V204-E272 HydrophobicContact CG2-CB 4.45Å; V204-E272 HydrophobicContact CG2-CG 3.81Å
205	P	85.4	Confident	85.6	Confident	54 Å²	54	46.4 Å²	46.4	35%	0.351	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142.3	176.2	29.4	-33.6	0	0	0	109.6	C45 K203 S207	C45-P205 HydrophobicContact CB-CG 4.33Å; K203-P205 VanDerWaalsContact O-CD 3.32Å; K203-P205 WeakPolarHBondContact O-CD 3.23Å; P205-S207 PolarHBondContact O-N 3Å
206	I	89	Confident	87.5	Confident	22 Å²	22	49.8 Å²	49.8	11%	0.113	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.4	134	168.5	-67.2	161.8	0	0	0	108.3	S208 K210 I211 P268 W880	I206-S208 PolarHBondContact O-N 3.19Å; I206-K210 HydrophobicContact CG2-CB 4.2Å; I206-I211 HydrophobicContact CG2-CB 4.35Å; I206-P268 HydrophobicContact CD1-CB 3.6Å; I206-P268 HydrophobicContact CD1-CG 3.67Å; I206-W880 HydrophobicContact CD1-CE3 3.68Å; I206-W880 HydrophobicContact CD1-CZ3 4.06Å; I206-W880 HydrophobicContact CG2-CB 4.25Å
207	S	89.9	Confident	89.4	Confident	65 Å²	65	50.5 Å²	50.5	46%	0.455	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-50.8	130.5	-179.1	-178.7	0	0	0	0	111.5	P205 S209 K210 I211	P205-S207 PolarHBondContact O-N 3Å; S207-S209 PolarHBondContact O-N 3.46Å; S207-S209 VanDerWaalsContact O-N 3.11Å; S207-S209 PolarHBondContact OG-OG 2.96Å; S207-K210 PolarHBondContact O-N 2.95Å; S207-I211 PolarHBondContact O-N 2.9Å
208	S	88.9	Confident	90.7	Very high	84 Å²	84	44.1 Å²	44.1	59%	0.587	24%	0.243	S	C	*	.	H	α-helix	trans	-53	-32.8	176.7	-61.1	0	0	0	0	112.4	I206 K210 I211 S212	I206-S208 PolarHBondContact O-N 3.19Å; S208-K210 PolarHBondContact O-N 3.41Å; S208-I211 PolarHBondContact O-N 2.8Å; S208-S212 WeakPolarHBondContact O-CB 3.33Å; S208-S212 PolarHBondContact O-N 3.43Å; S208-S212 PolarHBondContact O-OG 3.33Å
209	S	91.6	Very high	91.8	Very high	70 Å²	70	45.5 Å²	45.5	49%	0.49	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-27.9	176	66.6	0	0	0	0	113.9	S207 P213	S207-S209 PolarHBondContact O-N 3.46Å; S207-S209 VanDerWaalsContact O-N 3.11Å; S207-S209 PolarHBondContact OG-OG 2.96Å; S209-P213 WeakPolarHBondContact O-CD 3.22Å; S209-P213 WeakPolarHBondContact O-CG 3.33Å
210	K	92	Very high	92.5	Very high	90 Å²	90	49.3 Å²	49.3	39%	0.391	27%	0.274	S	S	.	.	H	α-helix	trans	-89.9	-42.4	178.9	-63.3	-174.1	178	-173.6	0	111.7	I206 S207 S208 W880	I206-K210 HydrophobicContact CG2-CB 4.2Å; S207-K210 PolarHBondContact O-N 2.95Å; S208-K210 PolarHBondContact O-N 3.41Å; K210-W880 HydrophobicContact CB-CB 4.03Å
211	I	93.4	Very high	92.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-89.2	-31	-172.1	-163.8	64.9	0	0	0	114.1	I206 S207 S208 Y214 R215 P268 W880	I206-I211 HydrophobicContact CG2-CB 4.35Å; S207-I211 PolarHBondContact O-N 2.9Å; S208-I211 PolarHBondContact O-N 2.8Å; I211-Y214 HydrophobicContact CD1-CD1 3.76Å; I211-Y214 HydrophobicContact CD1-CE1 4.45Å; I211-Y214 WeakPolarHBondContact O-CB 3.5Å; I211-Y214 PolarHBondContact O-N 3.09Å; I211-R215 HydrophobicContact CG1-CG 4.49Å; I211-R215 WeakPolarHBondContact O-CG 3.38Å; I211-R215 PolarHBondContact O-N 3.04Å; I211-P268 HydrophobicContact CD1-CG 3.53Å; I211-P268 HydrophobicContact CG1-CG 4.19Å; I211-W880 HydrophobicContact CD1-CD2 4.26Å; I211-W880 HydrophobicContact CD1-CG 4.11Å
212	S	94.6	Very high	93	Very high	46 Å²	46	52.9 Å²	52.9	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-44.4	-178.8	-64.2	0	0	0	0	112.9	S208 Y214 R215 I216	S208-S212 WeakPolarHBondContact O-CB 3.33Å; S208-S212 PolarHBondContact O-N 3.43Å; S208-S212 PolarHBondContact O-OG 3.33Å; S212-Y214 VanDerWaalsContact C-N 3.3Å; S212-Y214 PolarHBondContact O-N 2.98Å; S212-R215 PolarHBondContact O-N 3.27Å; S212-I216 WeakPolarHBondContact O-CG1 3.45Å; S212-I216 PolarHBondContact O-N 3.23Å
213	P	96.5	Very high	93.3	Very high	44 Å²	44	52.8 Å²	52.8	29%	0.286	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-41.1	174.4	-24.3	35	0	0	0	112.5	S209 R215 I216 V217 L876	S209-P213 WeakPolarHBondContact O-CD 3.22Å; S209-P213 WeakPolarHBondContact O-CG 3.33Å; P213-R215 PolarHBondContact O-N 2.9Å; P213-I216 PolarHBondContact O-N 3.5Å; P213-V217 WeakPolarHBondContact O-CG2 3.41Å; P213-V217 PolarHBondContact O-N 3.44Å; P213-L876 HydrophobicContact CB-CD1 4.17Å; P213-L876 HydrophobicContact CB-CD2 4Å
214	Y	96.5	Very high	93.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-47.5	177.2	175	-109.3	0	0	0	111.7	I211 S212 I216 V217 I218 Q262 T873 L876 E877 W880	I211-Y214 HydrophobicContact CD1-CD1 3.76Å; I211-Y214 HydrophobicContact CD1-CE1 4.45Å; I211-Y214 WeakPolarHBondContact O-CB 3.5Å; I211-Y214 PolarHBondContact O-N 3.09Å; S212-Y214 VanDerWaalsContact C-N 3.3Å; S212-Y214 PolarHBondContact O-N 2.98Å; Y214-I216 PolarHBondContact O-N 3.22Å; Y214-V217 PolarHBondContact O-N 3.49Å; Y214-I218 HydrophobicContact CD1-CD1 3.76Å; Y214-I218 HydrophobicContact CD2-CD1 4.4Å; Y214-I218 HydrophobicContact CE1-CD1 3.33Å; Y214-I218 HydrophobicContact CE2-CD1 4.03Å; Y214-I218 HydrophobicContact CE2-CG1 4.45Å; Y214-I218 HydrophobicContact CG-CD1 4.29Å; Y214-I218 VanDerWaalsContact CZ-CD1 3.49Å; Y214-I218 WeakPolarHBondContact O-CG1 3.21Å; Y214-I218 PolarHBondContact O-N 3.4Å; Y214-Q262 PolarHBondContact OH-OE1 3.45Å; Y214-T873 HydrophobicContact CD2-CG2 4.43Å; Y214-T873 HydrophobicContact CE2-CG2 3.81Å; Y214-L876 HydrophobicContact CD2-CB 3.95Å; Y214-L876 HydrophobicContact CG-CB 4.49Å; Y214-E877 HydrophobicContact CD2-CB 4.47Å; Y214-E877 HydrophobicContact CE2-CB 3.9Å; Y214-E877 HydrophobicContact CE2-CG 4.25Å; Y214-E877 PolarHBondContact OH-OE1 2.84Å; Y214-W880 AromaticContact CD1-NE1 3.66Å; Y214-W880 AromaticContact CD2-NE1 3.86Å; Y214-W880 AromaticContact CE1-NE1 3.66Å; Y214-W880 AromaticContact CE2-NE1 3.88Å; Y214-W880 AromaticContact CG-CD1 3.91Å; Y214-W880 AromaticContact CG-NE1 3.74Å; Y214-W880 AromaticContact CZ-NE1 3.77Å
215	R	95.9	Very high	93.9	Very high	61 Å²	61	49.2 Å²	49.2	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-42	176.8	-69.1	172.8	-179.6	154.7	2.4	112.7	I211 S212 P213 V217 I218 V219 W266	I211-R215 HydrophobicContact CG1-CG 4.49Å; I211-R215 WeakPolarHBondContact O-CG 3.38Å; I211-R215 PolarHBondContact O-N 3.04Å; S212-R215 PolarHBondContact O-N 3.27Å; P213-R215 PolarHBondContact O-N 2.9Å; R215-V217 VanDerWaalsContact C-N 3.33Å; R215-V217 PolarHBondContact O-N 3.15Å; R215-I218 PolarHBondContact O-N 3.24Å; R215-V219 WeakPolarHBondContact O-CG2 3.23Å; R215-V219 PolarHBondContact O-N 2.86Å; R215-V219 VanDerWaalsContact O-N 3.09Å; R215-W266 HydrophobicContact CB-CH2 4.03Å; R215-W266 HydrophobicContact CB-CZ2 4.25Å; R215-W266 HydrophobicContact CB-CZ3 4.38Å; R215-W266 HydrophobicContact CG-CD2 4.37Å; R215-W266 HydrophobicContact CG-CE3 4.41Å; R215-W266 HydrophobicContact CG-CH2 4.25Å; R215-W266 HydrophobicContact CG-CZ2 4.2Å; R215-W266 HydrophobicContact CG-CZ3 4.35Å; R215-W266 VanDerWaalsContact CZ-O 3.31Å; R215-W266 PolarHBondContact NE-O 3.36Å; R215-W266 PolarHBondContact NH2-O 3.22Å
216	I	96.6	Very high	94.3	Very high	113 Å²	113	51 Å²	51	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-60.9	-45.3	177.1	-67.8	164.8	0	0	0	110	S212 P213 Y214 I218 V219 L220	S212-I216 WeakPolarHBondContact O-CG1 3.45Å; S212-I216 PolarHBondContact O-N 3.23Å; P213-I216 PolarHBondContact O-N 3.5Å; Y214-I216 PolarHBondContact O-N 3.22Å; I216-I218 PolarHBondContact O-N 3.42Å; I216-V219 PolarHBondContact O-N 3.02Å; I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.12Å; I216-L220 PolarHBondContact O-N 3.3Å
217	V	96.6	Very high	94.4	Very high	22 Å²	22	54 Å²	54	13%	0.133	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-37.3	178.9	172.9	0	0	0	0	111.9	P213 Y214 R215 L220 R221 A872 T873 L876	P213-V217 WeakPolarHBondContact O-CG2 3.41Å; P213-V217 PolarHBondContact O-N 3.44Å; Y214-V217 PolarHBondContact O-N 3.49Å; R215-V217 VanDerWaalsContact C-N 3.33Å; R215-V217 PolarHBondContact O-N 3.15Å; V217-L220 PolarHBondContact O-N 2.93Å; V217-R221 VanDerWaalsContact O-CB 3.26Å; V217-R221 WeakPolarHBondContact O-CB 3.33Å; V217-R221 PolarHBondContact O-N 3.02Å; V217-A872 HydrophobicContact CG1-CB 4.06Å; V217-T873 WeakPolarHBondContact CG1-OG1 3.06Å; V217-L876 HydrophobicContact CB-CD1 4.08Å; V217-L876 HydrophobicContact CG2-CD1 3.6Å
218	I	96	Very high	94.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-49.3	173.4	-70.6	165	0	0	0	110.9	Y214 R215 I216 R221 L222 W258 Q262 W266	Y214-I218 HydrophobicContact CD1-CD1 3.76Å; Y214-I218 HydrophobicContact CD2-CD1 4.4Å; Y214-I218 HydrophobicContact CE1-CD1 3.33Å; Y214-I218 HydrophobicContact CE2-CD1 4.03Å; Y214-I218 HydrophobicContact CE2-CG1 4.45Å; Y214-I218 HydrophobicContact CG-CD1 4.29Å; Y214-I218 VanDerWaalsContact CZ-CD1 3.49Å; Y214-I218 WeakPolarHBondContact O-CG1 3.21Å; Y214-I218 PolarHBondContact O-N 3.4Å; R215-I218 PolarHBondContact O-N 3.24Å; I216-I218 PolarHBondContact O-N 3.42Å; I218-R221 PolarHBondContact O-N 2.64Å; I218-L222 PolarHBondContact O-N 3.27Å; I218-W258 HydrophobicContact CG2-CH2 4.18Å; I218-W258 HydrophobicContact CG2-CZ2 4.17Å; I218-Q262 HydrophobicContact CD1-CB 4.46Å; I218-W266 HydrophobicContact CG2-CZ3 4.26Å
219	V	96.6	Very high	94.7	Very high	77 Å²	77	48.9 Å²	48.9	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-44.1	179.6	174.7	0	0	0	0	110.7	R215 I216 R221 L222 V223 W266	R215-V219 WeakPolarHBondContact O-CG2 3.23Å; R215-V219 PolarHBondContact O-N 2.86Å; R215-V219 VanDerWaalsContact O-N 3.09Å; I216-V219 PolarHBondContact O-N 3.02Å; V219-R221 VanDerWaalsContact C-N 3.34Å; V219-R221 PolarHBondContact O-N 2.91Å; V219-L222 VanDerWaalsContact O-CB 3.32Å; V219-L222 WeakPolarHBondContact O-CB 3.42Å; V219-L222 PolarHBondContact O-N 3.4Å; V219-V223 PolarHBondContact O-N 3.38Å; V219-V223 VanDerWaalsContact O-N 3.12Å; V219-W266 HydrophobicContact CG2-CH2 3.88Å; V219-W266 HydrophobicContact CG2-CZ3 4.46Å
220	L	96	Very high	94.6	Very high	92 Å²	92	53.5 Å²	53.5	48%	0.482	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-44.8	175.7	179	65.1	0	0	0	111.6	I216 V217 L222 V223 I224	I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.12Å; I216-L220 PolarHBondContact O-N 3.3Å; V217-L220 PolarHBondContact O-N 2.93Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.47Å; L220-V223 WeakPolarHBondContact O-CB 3Å; L220-V223 PolarHBondContact O-N 2.88Å; L220-V223 VanDerWaalsContact O-N 3.16Å; L220-I224 HydrophobicContact CD1-CD1 4.4Å; L220-I224 HydrophobicContact CG-CD1 3.93Å; L220-I224 WeakPolarHBondContact O-CG1 3.3Å; L220-I224 PolarHBondContact O-N 3.37Å
221	R	95.8	Very high	94.5	Very high	32 Å²	32	51 Å²	51	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-36.7	176.9	-179.6	166.9	170.4	-172.6	-3.8	111.7	V217 I218 V219 V223 I224 L225 W258 S869 I870	V217-R221 VanDerWaalsContact O-CB 3.26Å; V217-R221 WeakPolarHBondContact O-CB 3.33Å; V217-R221 PolarHBondContact O-N 3.02Å; I218-R221 PolarHBondContact O-N 2.64Å; V219-R221 VanDerWaalsContact C-N 3.34Å; V219-R221 PolarHBondContact O-N 2.91Å; R221-V223 VanDerWaalsContact C-N 3.34Å; R221-I224 PolarHBondContact O-N 2.85Å; R221-L225 HydrophobicContact CG-CD1 4.34Å; R221-L225 HydrophobicContact CG-CG 4.47Å; R221-L225 WeakPolarHBondContact O-CB 3.47Å; R221-L225 VanDerWaalsContact O-CG 3.29Å; R221-L225 WeakPolarHBondContact O-CG 3.38Å; R221-L225 PolarHBondContact O-N 3.5Å; R221-W258 HydrophobicContact CB-CH2 3.95Å; R221-W258 HydrophobicContact CB-CZ2 3.95Å; R221-W258 VanDerWaalsContact CD-CZ2 3.44Å; R221-W258 HydrophobicContact CG-CH2 3.78Å; R221-W258 HydrophobicContact CG-CZ2 3.7Å; R221-W258 HydrophobicContact CG-CZ3 4.41Å; R221-W258 VanDerWaalsContact CZ-CD1 3.45Å; R221-S869 WeakPolarHBondContact CG-OG 3.28Å; R221-I870 VanDerWaalsContact CZ-CG1 3.49Å
222	L	95.7	Very high	94.3	Very high	56 Å²	56	50.7 Å²	50.7	29%	0.293	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-42.6	174.8	-138.3	161.2	0	0	0	111.4	I218 V219 L220 L225 V226 W258 F263	I218-L222 PolarHBondContact O-N 3.27Å; V219-L222 VanDerWaalsContact O-CB 3.32Å; V219-L222 WeakPolarHBondContact O-CB 3.42Å; V219-L222 PolarHBondContact O-N 3.4Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.47Å; L222-L225 PolarHBondContact O-N 3.3Å; L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 3.23Å; L222-W258 HydrophobicContact CB-CH2 4.42Å; L222-W258 HydrophobicContact CG-CZ3 4.27Å; L222-F263 HydrophobicContact CD1-CE2 3.71Å; L222-F263 HydrophobicContact CD1-CZ 3.44Å; L222-F263 VanDerWaalsContact CD1-CZ 3.44Å
223	V	95.4	Very high	94.1	Very high	72 Å²	72	52.9 Å²	52.9	44%	0.436	26%	0.264	S	S	.	.	H	α-helix	trans	-63.9	-46.1	173.8	176.4	0	0	0	0	111.2	V219 L220 R221 L225 V226 F227	V219-V223 PolarHBondContact O-N 3.38Å; V219-V223 VanDerWaalsContact O-N 3.12Å; L220-V223 WeakPolarHBondContact O-CB 3Å; L220-V223 PolarHBondContact O-N 2.88Å; L220-V223 VanDerWaalsContact O-N 3.16Å; R221-V223 VanDerWaalsContact C-N 3.34Å; V223-L225 VanDerWaalsContact C-N 3.3Å; V223-L225 PolarHBondContact O-N 3.18Å; V223-V226 PolarHBondContact O-N 2.99Å; V223-F227 HydrophobicContact CG1-CD2 3.97Å; V223-F227 HydrophobicContact CG1-CE2 3.63Å; V223-F227 VanDerWaalsContact O-CD2 3.25Å; V223-F227 WeakPolarHBondContact O-CD2 3.47Å; V223-F227 PolarHBondContact O-N 3.3Å
224	I	94.8	Very high	93.7	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-42.9	176.9	-68.1	164.4	0	0	0	110.8	L220 R221 V226 F227 F228 W862 A865 L866	L220-I224 HydrophobicContact CD1-CD1 4.4Å; L220-I224 HydrophobicContact CG-CD1 3.93Å; L220-I224 WeakPolarHBondContact O-CG1 3.3Å; L220-I224 PolarHBondContact O-N 3.37Å; R221-I224 PolarHBondContact O-N 2.85Å; I224-V226 VanDerWaalsContact C-N 3.32Å; I224-V226 PolarHBondContact O-N 3.31Å; I224-F227 PolarHBondContact O-N 2.88Å; I224-F228 VanDerWaalsContact O-CB 3.26Å; I224-F228 WeakPolarHBondContact O-CB 3.46Å; I224-F228 PolarHBondContact O-N 3.28Å; I224-W862 HydrophobicContact CG1-CZ3 4.3Å; I224-W862 HydrophobicContact CG2-CE3 4.32Å; I224-A865 HydrophobicContact CD1-CB 4.06Å; I224-A865 HydrophobicContact CG1-CB 4.36Å; I224-A865 HydrophobicContact CG2-CB 4.23Å; I224-L866 HydrophobicContact CG2-CB 3.92Å; I224-L866 HydrophobicContact CG2-CD1 4.31Å
225	L	94.7	Very high	93.3	Very high	16 Å²	16	58.7 Å²	58.7	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-39.6	177.9	-78.1	170.8	0	0	0	112.3	R221 L222 V223 F227 F228 F229 A255 W258 L866	R221-L225 HydrophobicContact CG-CD1 4.34Å; R221-L225 HydrophobicContact CG-CG 4.47Å; R221-L225 WeakPolarHBondContact O-CB 3.47Å; R221-L225 VanDerWaalsContact O-CG 3.29Å; R221-L225 WeakPolarHBondContact O-CG 3.38Å; R221-L225 PolarHBondContact O-N 3.5Å; L222-L225 PolarHBondContact O-N 3.3Å; V223-L225 VanDerWaalsContact C-N 3.3Å; V223-L225 PolarHBondContact O-N 3.18Å; L225-F227 PolarHBondContact O-N 3.38Å; L225-F228 PolarHBondContact O-N 2.95Å; L225-F229 HydrophobicContact CB-CD2 4.42Å; L225-F229 HydrophobicContact CB-CE2 4.33Å; L225-F229 HydrophobicContact CD2-CE2 4Å; L225-F229 WeakPolarHBondContact O-CD2 3.36Å; L225-F229 PolarHBondContact O-N 3.33Å; L225-A255 HydrophobicContact CD1-CB 4.29Å; L225-A255 HydrophobicContact CD2-CB 4.28Å; L225-W258 HydrophobicContact CD1-CD2 4.44Å; L225-W258 HydrophobicContact CD1-CE3 3.49Å; L225-W258 VanDerWaalsContact CD1-CE3 3.49Å; L225-W258 HydrophobicContact CD1-CH2 4.26Å; L225-W258 HydrophobicContact CD1-CZ3 3.39Å; L225-L866 HydrophobicContact CD2-CD1 3.68Å; L225-L866 HydrophobicContact CD2-CD2 4.48Å; L225-L866 HydrophobicContact CG-CD1 4.17Å
226	V	93.7	Very high	92.9	Very high	92 Å²	92	57.9 Å²	57.9	56%	0.558	30%	0.297	S	S	*	.	H	α-helix	trans	-60.7	-47.2	176.8	172.5	0	0	0	0	111	L222 V223 I224 R230	L222-V226 WeakPolarHBondContact O-CG2 3.49Å; L222-V226 PolarHBondContact O-N 3.23Å; V223-V226 PolarHBondContact O-N 2.99Å; I224-V226 VanDerWaalsContact C-N 3.32Å; I224-V226 PolarHBondContact O-N 3.31Å; V226-R230 WeakPolarHBondContact O-CB 3.46Å; V226-R230 PolarHBondContact O-N 3.27Å
227	F	91.9	Very high	92.4	Very high	83 Å²	83	52.6 Å²	52.6	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-68.8	-39.2	178	-71.3	-69.8	0	0	0	112.6	V223 I224 L225 R230 F231 W862	V223-F227 HydrophobicContact CG1-CD2 3.97Å; V223-F227 HydrophobicContact CG1-CE2 3.63Å; V223-F227 VanDerWaalsContact O-CD2 3.25Å; V223-F227 WeakPolarHBondContact O-CD2 3.47Å; V223-F227 PolarHBondContact O-N 3.3Å; I224-F227 PolarHBondContact O-N 2.88Å; L225-F227 PolarHBondContact O-N 3.38Å; F227-R230 PolarHBondContact O-N 3.5Å; F227-F231 WeakPolarHBondContact O-CB 3.44Å; F227-F231 PolarHBondContact O-N 3.07Å; F227-W862 HydrophobicContact CB-CD2 3.7Å; F227-W862 HydrophobicContact CB-CE3 3.75Å; F227-W862 HydrophobicContact CB-CG 4.43Å; F227-W862 HydrophobicContact CB-CH2 3.78Å; F227-W862 HydrophobicContact CB-CZ2 3.71Å; F227-W862 HydrophobicContact CB-CZ3 3.8Å; F227-W862 HydrophobicContact CD1-CH2 4.25Å; F227-W862 AromaticContact CD1-CZ2 3.94Å; F227-W862 HydrophobicContact CD1-CZ2 3.94Å; F227-W862 AromaticContact CD2-CH2 3.32Å; F227-W862 HydrophobicContact CD2-CH2 3.32Å; F227-W862 AromaticContact CD2-CZ2 3.88Å; F227-W862 HydrophobicContact CD2-CZ2 3.88Å; F227-W862 AromaticContact CD2-CZ3 3.7Å; F227-W862 HydrophobicContact CD2-CZ3 3.7Å; F227-W862 AromaticContact CE2-CH2 3.92Å; F227-W862 HydrophobicContact CE2-CH2 3.92Å; F227-W862 HydrophobicContact CE2-CZ2 4.48Å; F227-W862 HydrophobicContact CG-CD2 4.47Å; F227-W862 HydrophobicContact CG-CE3 4.41Å; F227-W862 AromaticContact CG-CH2 3.52Å; F227-W862 HydrophobicContact CG-CH2 3.52Å; F227-W862 AromaticContact CG-CZ2 3.57Å; F227-W862 HydrophobicContact CG-CZ2 3.57Å; F227-W862 AromaticContact CG-CZ3 3.96Å; F227-W862 HydrophobicContact CG-CZ3 3.96Å
228	F	91.5	Very high	91.7	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-51.5	174.6	174.6	-97.9	0	0	0	111.3	I224 L225 F231 R232 F863 L866	I224-F228 VanDerWaalsContact O-CB 3.26Å; I224-F228 WeakPolarHBondContact O-CB 3.46Å; I224-F228 PolarHBondContact O-N 3.28Å; L225-F228 PolarHBondContact O-N 2.95Å; F228-F231 WeakPolarHBondContact O-CB 3.29Å; F228-F231 PolarHBondContact O-N 3.09Å; F228-R232 HydrophobicContact CD1-CG 4.13Å; F228-R232 HydrophobicContact CD2-CG 4.32Å; F228-R232 HydrophobicContact CE1-CG 3.69Å; F228-R232 HydrophobicContact CE2-CG 3.9Å; F228-R232 HydrophobicContact CG-CG 4.42Å; F228-R232 HydrophobicContact CZ-CG 3.56Å; F228-R232 WeakPolarHBondContact O-CG 3.31Å; F228-R232 PolarHBondContact O-N 2.81Å; F228-F863 AromaticContact CE2-CD1 3.72Å; F228-F863 HydrophobicContact CE2-CD1 3.72Å; F228-F863 AromaticContact CE2-CE1 3.47Å; F228-F863 HydrophobicContact CE2-CE1 3.47Å; F228-F863 VanDerWaalsContact CE2-CE1 3.47Å; F228-F863 HydrophobicContact CE2-CE2 4.43Å; F228-F863 HydrophobicContact CE2-CG 4.32Å; F228-F863 AromaticContact CE2-CZ 3.84Å; F228-F863 HydrophobicContact CE2-CZ 3.84Å; F228-F863 HydrophobicContact CZ-CE1 4.07Å; F228-F863 HydrophobicContact CZ-CZ 4.48Å; F228-L866 HydrophobicContact CD1-CD2 4.13Å; F228-L866 HydrophobicContact CD2-CD2 3.87Å; F228-L866 HydrophobicContact CE1-CD2 4.2Å; F228-L866 HydrophobicContact CE2-CD2 3.93Å; F228-L866 HydrophobicContact CG-CD2 3.97Å; F228-L866 HydrophobicContact CZ-CD2 4.11Å
229	F	92.4	Very high	91.1	Very high	34 Å²	34	65 Å²	65	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-38.6	179.1	-75.7	-57.3	0	0	0	112.8	L225 F231 R232 I233 E251 I252 A255	L225-F229 HydrophobicContact CB-CD2 4.42Å; L225-F229 HydrophobicContact CB-CE2 4.33Å; L225-F229 HydrophobicContact CD2-CE2 4Å; L225-F229 WeakPolarHBondContact O-CD2 3.36Å; L225-F229 PolarHBondContact O-N 3.33Å; F229-F231 VanDerWaalsContact C-N 3.26Å; F229-F231 PolarHBondContact O-N 3.46Å; F229-R232 PolarHBondContact O-N 3.46Å; F229-I233 HydrophobicContact CB-CD1 4.47Å; F229-I233 WeakPolarHBondContact O-CB 3.46Å; F229-I233 VanDerWaalsContact O-CG1 3.28Å; F229-I233 WeakPolarHBondContact O-CG1 3.35Å; F229-I233 PolarHBondContact O-N 3.42Å; F229-E251 HydrophobicContact CE1-CB 3.81Å; F229-E251 HydrophobicContact CZ-CB 4.34Å; F229-E251 WeakPolarHBondContact CZ-O 3.44Å; F229-I252 HydrophobicContact CD1-CG1 3.97Å; F229-I252 HydrophobicContact CE1-CB 4.4Å; F229-I252 HydrophobicContact CE1-CG1 3.63Å; F229-I252 HydrophobicContact CZ-CG1 4.17Å; F229-A255 HydrophobicContact CE2-CB 3.49Å; F229-A255 VanDerWaalsContact CE2-CB 3.49Å; F229-A255 HydrophobicContact CZ-CB 3.56Å
230	R	91	Very high	90.6	Very high	167 Å²	167	61.3 Å²	61.3	63%	0.63	30%	0.304	S	S	*	.	H	α-helix	trans	-54.6	-46.8	172.1	-178.8	-179	-180	-115.6	0.6	110.6	V226 F227 L234	V226-R230 WeakPolarHBondContact O-CB 3.46Å; V226-R230 PolarHBondContact O-N 3.27Å; F227-R230 PolarHBondContact O-N 3.5Å; R230-L234 HydrophobicContact CG-CD1 3.88Å; R230-L234 WeakPolarHBondContact O-CB 3.39Å; R230-L234 WeakPolarHBondContact O-CD1 3.47Å; R230-L234 WeakPolarHBondContact O-CG 3.43Å; R230-L234 PolarHBondContact O-N 2.87Å
231	F	88.2	Confident	90.1	Very high	37 Å²	37	62.7 Å²	62.7	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-50	176.1	165.9	-99.4	0	0	0	112.1	F227 F228 F229 I233 L234 T235 A859 F863	F227-F231 WeakPolarHBondContact O-CB 3.44Å; F227-F231 PolarHBondContact O-N 3.07Å; F228-F231 WeakPolarHBondContact O-CB 3.29Å; F228-F231 PolarHBondContact O-N 3.09Å; F229-F231 VanDerWaalsContact C-N 3.26Å; F229-F231 PolarHBondContact O-N 3.46Å; F231-I233 VanDerWaalsContact C-N 3.35Å; F231-I233 PolarHBondContact O-N 3.47Å; F231-L234 PolarHBondContact O-N 2.97Å; F231-T235 WeakPolarHBondContact CD2-OG1 3.29Å; F231-T235 HydrophobicContact CE2-CG2 4.07Å; F231-T235 WeakPolarHBondContact CE2-OG1 3.4Å; F231-T235 HydrophobicContact CZ-CG2 4.23Å; F231-T235 WeakPolarHBondContact O-CB 3.27Å; F231-T235 PolarHBondContact O-N 3.27Å; F231-T235 VanDerWaalsContact O-N 3.09Å; F231-T235 PolarHBondContact O-OG1 3.3Å; F231-A859 HydrophobicContact CD1-CB 4.23Å; F231-A859 HydrophobicContact CD2-CB 3.82Å; F231-A859 HydrophobicContact CE1-CB 3.8Å; F231-A859 HydrophobicContact CE2-CB 3.33Å; F231-A859 HydrophobicContact CG-CB 4.25Å; F231-A859 HydrophobicContact CZ-CB 3.32Å; F231-F863 HydrophobicContact CD1-CE2 4.25Å; F231-F863 AromaticContact CE1-CE2 3.66Å; F231-F863 HydrophobicContact CE1-CE2 3.66Å; F231-F863 HydrophobicContact CE1-CZ 4.36Å
232	R	89.4	Confident	89.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-41.4	-176	-72.3	-69.4	-75.2	152	-7	112.8	F228 F229 W244 S247 V248 E251 I851	F228-R232 HydrophobicContact CD1-CG 4.13Å; F228-R232 HydrophobicContact CD2-CG 4.32Å; F228-R232 HydrophobicContact CE1-CG 3.69Å; F228-R232 HydrophobicContact CE2-CG 3.9Å; F228-R232 HydrophobicContact CG-CG 4.42Å; F228-R232 HydrophobicContact CZ-CG 3.56Å; F228-R232 WeakPolarHBondContact O-CG 3.31Å; F228-R232 PolarHBondContact O-N 2.81Å; F229-R232 PolarHBondContact O-N 3.46Å; R232-W244 WeakPolarHBondContact O-CZ2 3.4Å; R232-W244 PolarHBondContact O-NE1 3.01Å; R232-W244 VanDerWaalsContact O-NE1 3.09Å; R232-S247 PolarHBondContact NH2-OG 3.46Å; R232-V248 HydrophobicContact CB-CG2 4.43Å; R232-E251 IonicContact CZ-OE1 2.97Å; R232-E251 IonicContact CZ-OE2 3.94Å; R232-E251 IonicContact NE-OE1 2.64Å; R232-E251 PolarHBondContact NE-OE1 2.97Å; R232-E251 IonicContact NE-OE2 2.65Å; R232-E251 PolarHBondContact NE-OE2 3.22Å; R232-E251 IonicContact NH2-OE1 3.32Å; R232-E251 PolarHBondContact NH2-OE1 3.12Å; R232-E251 IonicContact NH2-OE2 3.82Å; R232-E251 PolarHBondContact NH2-OE2 3.01Å; R232-I851 PolarHBondContact NH1-O 3.15Å; R232-I851 VanDerWaalsContact NH1-O 3.11Å
233	I	90.4	Very high	89.4	Confident	91 Å²	91	62 Å²	62	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-71.6	-37.4	-179.7	-66	168.6	0	0	0	111.2	F229 F231 T235 V248	F229-I233 HydrophobicContact CB-CD1 4.47Å; F229-I233 WeakPolarHBondContact O-CB 3.46Å; F229-I233 VanDerWaalsContact O-CG1 3.28Å; F229-I233 WeakPolarHBondContact O-CG1 3.35Å; F229-I233 PolarHBondContact O-N 3.42Å; F231-I233 VanDerWaalsContact C-N 3.35Å; F231-I233 PolarHBondContact O-N 3.47Å; I233-T235 VanDerWaalsContact C-N 3.31Å; I233-T235 PolarHBondContact O-N 3.3Å; I233-V248 HydrophobicContact CG1-CG1 4.26Å
234	L	89.2	Confident	89.2	Confident	121 Å²	121	59.4 Å²	59.4	63%	0.634	29%	0.288	S	S	*	.	H	α-helix	trans	-79.1	-11.8	-179.8	-67.4	175.2	0	0	0	113.9	R230 F231 P236	R230-L234 HydrophobicContact CG-CD1 3.88Å; R230-L234 WeakPolarHBondContact O-CB 3.39Å; R230-L234 WeakPolarHBondContact O-CD1 3.47Å; R230-L234 WeakPolarHBondContact O-CG 3.43Å; R230-L234 PolarHBondContact O-N 2.87Å; F231-L234 PolarHBondContact O-N 2.97Å; L234-P236 VanDerWaalsContact C-CD 3.41Å; L234-P236 VanDerWaalsContact O-CD 3.27Å; L234-P236 WeakPolarHBondContact O-CD 3.43Å
235	T	87	Confident	89	Confident	46 Å²	46	62.2 Å²	62.2	28%	0.282	30%	0.303	S	S	.	.	S	Bend	trans	-122.6	71.3	-173.7	-34.8	0	0	0	0	111.3	F231 I233 W244 P853	F231-T235 WeakPolarHBondContact CD2-OG1 3.29Å; F231-T235 HydrophobicContact CE2-CG2 4.07Å; F231-T235 WeakPolarHBondContact CE2-OG1 3.4Å; F231-T235 HydrophobicContact CZ-CG2 4.23Å; F231-T235 WeakPolarHBondContact O-CB 3.27Å; F231-T235 PolarHBondContact O-N 3.27Å; F231-T235 VanDerWaalsContact O-N 3.09Å; F231-T235 PolarHBondContact O-OG1 3.3Å; I233-T235 VanDerWaalsContact C-N 3.31Å; I233-T235 PolarHBondContact O-N 3.3Å; T235-W244 PolarHBondContact O-NE1 3Å; T235-P853 HydrophobicContact CG2-CG 3.73Å
236	P	87.6	Confident	88.9	Confident	44 Å²	44	65.1 Å²	65.1	29%	0.286	32%	0.318	S	S	.	.			trans	-70.4	138.4	178.4	28.9	-34.4	0	0	0	112.4	L234 K238 Y241 W244	L234-P236 VanDerWaalsContact C-CD 3.41Å; L234-P236 VanDerWaalsContact O-CD 3.27Å; L234-P236 WeakPolarHBondContact O-CD 3.43Å; P236-K238 PolarHBondContact O-N 3.49Å; P236-Y241 HydrophobicContact CB-CD2 4.28Å; P236-Y241 HydrophobicContact CB-CE2 4.2Å; P236-W244 HydrophobicContact CB-CD2 4.01Å; P236-W244 HydrophobicContact CB-CE3 4.09Å; P236-W244 HydrophobicContact CB-CH2 4Å; P236-W244 HydrophobicContact CB-CZ2 3.89Å; P236-W244 HydrophobicContact CB-CZ3 4.1Å
237	A	85.8	Confident	88.8	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	29%	0.291	C	S	.	.			trans	-77.5	97.1	170.9	0	0	0	0	0	109.5	D239 A240 Y241 W244	A237-D239 VanDerWaalsContact C-N 3.29Å; A237-D239 PolarHBondContact O-N 3.12Å; A237-A240 HydrophobicContact CB-CB 4.37Å; A237-A240 CarbonylContact O-C 3.42Å; A237-A240 PolarHBondContact O-N 3.18Å; A237-A240 VanDerWaalsContact O-N 3.14Å; A237-Y241 VanDerWaalsContact O-CA 3.24Å; A237-Y241 WeakPolarHBondContact O-CA 3.35Å; A237-Y241 PolarHBondContact O-N 2.83Å; A237-W244 HydrophobicContact CB-CB 3.93Å; A237-W244 HydrophobicContact CB-CG 4.4Å
238	K	83.2	Confident	88.9	Confident	190 Å²	190	57.2 Å²	57.2	83%	0.826	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-65.3	-32	-173.3	-65.1	-175.9	-179.7	179.3	0	113.3	P236 A240	P236-K238 PolarHBondContact O-N 3.49Å; K238-A240 VanDerWaalsContact C-N 3.29Å
239	D	83.1	Confident	89	Confident	94 Å²	94	61.7 Å²	61.7	50%	0.503	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-69.8	-25.7	175.5	61.2	-44.6	0	0	0	112.9	A237 K849	A237-D239 VanDerWaalsContact C-N 3.29Å; A237-D239 PolarHBondContact O-N 3.12Å; D239-K849 WeakPolarHBondContact O-CD 3.41Å; D239-K849 WeakPolarHBondContact O-CE 3.46Å; D239-K849 PolarHBondContact O-NZ 3.31Å
240	A	85.1	Confident	89.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-135.9	41.3	-172.4	0	0	0	0	0	112.5	A237 K238 L243 W244 K849	A237-A240 HydrophobicContact CB-CB 4.37Å; A237-A240 CarbonylContact O-C 3.42Å; A237-A240 PolarHBondContact O-N 3.18Å; A237-A240 VanDerWaalsContact O-N 3.14Å; K238-A240 VanDerWaalsContact C-N 3.29Å; A240-L243 HydrophobicContact CB-CB 4.35Å; A240-L243 HydrophobicContact CB-CD1 4.29Å; A240-L243 WeakPolarHBondContact O-CB 3.49Å; A240-L243 PolarHBondContact O-N 3.48Å; A240-W244 PolarHBondContact O-N 3.28Å; A240-K849 HydrophobicContact CB-CB 4.01Å; A240-K849 HydrophobicContact CB-CD 4.11Å
241	Y	87.2	Confident	89.3	Confident	120 Å²	120	52.9 Å²	52.9	47%	0.471	27%	0.267	S	S	.	.	H	α-helix	trans	-54.1	-44.6	-168.7	-173.1	-91.8	0	0	0	114.7	P236 A237 L243 W244 L245	P236-Y241 HydrophobicContact CB-CD2 4.28Å; P236-Y241 HydrophobicContact CB-CE2 4.2Å; A237-Y241 VanDerWaalsContact O-CA 3.24Å; A237-Y241 WeakPolarHBondContact O-CA 3.35Å; A237-Y241 PolarHBondContact O-N 2.83Å; Y241-L243 PolarHBondContact O-N 3.22Å; Y241-W244 HydrophobicContact CD2-CE3 4.01Å; Y241-W244 HydrophobicContact CD2-CZ3 4.23Å; Y241-W244 AromaticContact CE2-CE3 3.84Å; Y241-W244 HydrophobicContact CE2-CE3 3.84Å; Y241-W244 AromaticContact CE2-CZ3 3.58Å; Y241-W244 HydrophobicContact CE2-CZ3 3.58Å; Y241-W244 AromaticContact CZ-CZ3 3.81Å; Y241-W244 PolarHBondContact O-N 2.89Å; Y241-L245 HydrophobicContact CE1-CD2 4.47Å; Y241-L245 WeakPolarHBondContact O-CB 3.22Å; Y241-L245 PolarHBondContact O-N 2.92Å
242	P	88.9	Confident	89.6	Confident	62 Å²	62	54.4 Å²	54.4	40%	0.403	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-39.7	176.6	-23.5	35	0	0	0	113.6	L245 I246 F1033	P242-L245 PolarHBondContact O-N 3.31Å; P242-I246 VanDerWaalsContact O-CG1 3.27Å; P242-I246 WeakPolarHBondContact O-CG1 3.38Å; P242-I246 PolarHBondContact O-N 3.02Å; P242-F1033 HydrophobicContact CB-CE1 3.99Å; P242-F1033 HydrophobicContact CB-CZ 4.35Å; P242-F1033 HydrophobicContact CG-CE1 3.81Å
243	L	87.9	Confident	90	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.063	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-42.5	178.4	-68.4	174.4	0	0	0	111	A240 Y241 S247 V843 K849 I851 F1033	A240-L243 HydrophobicContact CB-CB 4.35Å; A240-L243 HydrophobicContact CB-CD1 4.29Å; A240-L243 WeakPolarHBondContact O-CB 3.49Å; A240-L243 PolarHBondContact O-N 3.48Å; Y241-L243 PolarHBondContact O-N 3.22Å; L243-S247 WeakPolarHBondContact O-CB 3.28Å; L243-S247 PolarHBondContact O-N 3.06Å; L243-S247 PolarHBondContact O-OG 2.83Å; L243-V843 HydrophobicContact CD1-CG1 4.22Å; L243-V843 HydrophobicContact CD2-CG1 3.86Å; L243-K849 HydrophobicContact CD1-CB 4.41Å; L243-I851 HydrophobicContact CB-CG2 4.02Å; L243-F1033 HydrophobicContact CD2-CZ 4.48Å; L243-F1033 HydrophobicContact CG-CE1 4.36Å; L243-F1033 HydrophobicContact CG-CZ 4.2Å
244	W	90	Very high	90.2	Very high	17 Å²	17	56 Å²	56	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-50.5	173.1	167.3	84.6	0	0	0	111.3	R232 T235 P236 A237 A240 Y241 I246 S247 V248	R232-W244 WeakPolarHBondContact O-CZ2 3.4Å; R232-W244 PolarHBondContact O-NE1 3.01Å; R232-W244 VanDerWaalsContact O-NE1 3.09Å; T235-W244 PolarHBondContact O-NE1 3Å; P236-W244 HydrophobicContact CB-CD2 4.01Å; P236-W244 HydrophobicContact CB-CE3 4.09Å; P236-W244 HydrophobicContact CB-CH2 4Å; P236-W244 HydrophobicContact CB-CZ2 3.89Å; P236-W244 HydrophobicContact CB-CZ3 4.1Å; A237-W244 HydrophobicContact CB-CB 3.93Å; A237-W244 HydrophobicContact CB-CG 4.4Å; A240-W244 PolarHBondContact O-N 3.28Å; Y241-W244 HydrophobicContact CD2-CE3 4.01Å; Y241-W244 HydrophobicContact CD2-CZ3 4.23Å; Y241-W244 AromaticContact CE2-CE3 3.84Å; Y241-W244 HydrophobicContact CE2-CE3 3.84Å; Y241-W244 AromaticContact CE2-CZ3 3.58Å; Y241-W244 HydrophobicContact CE2-CZ3 3.58Å; Y241-W244 AromaticContact CZ-CZ3 3.81Å; Y241-W244 PolarHBondContact O-N 2.89Å; W244-I246 PolarHBondContact O-N 3.23Å; W244-S247 WeakPolarHBondContact CA-OG 3.36Å; W244-S247 PolarHBondContact O-N 2.64Å; W244-S247 VanDerWaalsContact O-N 3.13Å; W244-S247 PolarHBondContact O-OG 3.03Å; W244-V248 HydrophobicContact CD2-CG2 4.29Å; W244-V248 HydrophobicContact CG-CG2 4.49Å; W244-V248 HydrophobicContact CZ2-CG2 4.12Å; W244-V248 WeakPolarHBondContact O-CG2 3.04Å; W244-V248 PolarHBondContact O-N 3.11Å
245	L	91.5	Very high	90.6	Very high	72 Å²	72	50.7 Å²	50.7	38%	0.377	25%	0.251	S	S	.	.	H	α-helix	trans	-59.7	-46.8	-178.1	-179.6	62.1	0	0	0	111.9	Y241 P242 S247 V248 I249	Y241-L245 HydrophobicContact CE1-CD2 4.47Å; Y241-L245 WeakPolarHBondContact O-CB 3.22Å; Y241-L245 PolarHBondContact O-N 2.92Å; P242-L245 PolarHBondContact O-N 3.31Å; L245-S247 VanDerWaalsContact C-N 3.33Å; L245-S247 PolarHBondContact O-N 3.43Å; L245-V248 PolarHBondContact O-N 3.36Å; L245-I249 HydrophobicContact CD1-CD1 4.27Å; L245-I249 HydrophobicContact CG-CD1 4.13Å; L245-I249 WeakPolarHBondContact O-CG1 3.45Å; L245-I249 PolarHBondContact O-N 3.43Å
246	I	92.1	Very high	91	Very high	77 Å²	77	52.9 Å²	52.9	40%	0.395	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-45.5	176.1	-68.6	166.6	0	0	0	110.4	P242 W244 V248 I249 C250 A836 I840	P242-I246 VanDerWaalsContact O-CG1 3.27Å; P242-I246 WeakPolarHBondContact O-CG1 3.38Å; P242-I246 PolarHBondContact O-N 3.02Å; W244-I246 PolarHBondContact O-N 3.23Å; I246-V248 PolarHBondContact O-N 2.75Å; I246-I249 PolarHBondContact O-N 3.11Å; I246-C250 PolarHBondContact O-N 3.35Å; I246-C250 PolarHBondContact O-SG 3.42Å; I246-A836 HydrophobicContact CG2-CB 4.07Å; I246-I840 HydrophobicContact CG2-CD1 4.23Å
247	S	92	Very high	91.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-42.4	179.6	71.4	0	0	0	0	112.5	R232 L243 W244 L245 C250 E251	R232-S247 PolarHBondContact NH2-OG 3.46Å; L243-S247 WeakPolarHBondContact O-CB 3.28Å; L243-S247 PolarHBondContact O-N 3.06Å; L243-S247 PolarHBondContact O-OG 2.83Å; W244-S247 WeakPolarHBondContact CA-OG 3.36Å; W244-S247 PolarHBondContact O-N 2.64Å; W244-S247 VanDerWaalsContact O-N 3.13Å; W244-S247 PolarHBondContact O-OG 3.03Å; L245-S247 VanDerWaalsContact C-N 3.33Å; L245-S247 PolarHBondContact O-N 3.43Å; S247-C250 PolarHBondContact O-N 2.88Å; S247-E251 WeakPolarHBondContact O-CB 3.28Å; S247-E251 WeakPolarHBondContact O-CG 3.26Å; S247-E251 PolarHBondContact O-N 3.22Å
248	V	93.2	Very high	91.8	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-42	178.4	172.9	0	0	0	0	111.3	R232 I233 W244 L245 I246 C250 E251 I252	R232-V248 HydrophobicContact CB-CG2 4.43Å; I233-V248 HydrophobicContact CG1-CG1 4.26Å; W244-V248 HydrophobicContact CD2-CG2 4.29Å; W244-V248 HydrophobicContact CG-CG2 4.49Å; W244-V248 HydrophobicContact CZ2-CG2 4.12Å; W244-V248 WeakPolarHBondContact O-CG2 3.04Å; W244-V248 PolarHBondContact O-N 3.11Å; L245-V248 PolarHBondContact O-N 3.36Å; I246-V248 PolarHBondContact O-N 2.75Å; V248-C250 VanDerWaalsContact C-N 3.33Å; V248-C250 PolarHBondContact O-N 3.4Å; V248-E251 PolarHBondContact O-N 2.84Å; V248-I252 HydrophobicContact CG1-CD1 3.89Å; V248-I252 HydrophobicContact CG1-CG1 4.44Å; V248-I252 VanDerWaalsContact O-CG1 3.28Å; V248-I252 WeakPolarHBondContact O-CG1 3.4Å; V248-I252 PolarHBondContact O-N 3.5Å
249	I	93.8	Very high	92.4	Very high	101 Å²	101	46 Å²	46	52%	0.518	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-44.4	175.7	-67.7	167.4	0	0	0	110.7	L245 I246 I252 W253	L245-I249 HydrophobicContact CD1-CD1 4.27Å; L245-I249 HydrophobicContact CG-CD1 4.13Å; L245-I249 WeakPolarHBondContact O-CG1 3.45Å; L245-I249 PolarHBondContact O-N 3.43Å; I246-I249 PolarHBondContact O-N 3.11Å; I249-I252 PolarHBondContact O-N 2.98Å; I249-W253 PolarHBondContact O-N 2.87Å
250	C	95.4	Very high	93	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-45.9	177.4	-62.4	0	0	0	0	111.7	I246 S247 V248 I252 W253 F254 P833 Y837	I246-C250 PolarHBondContact O-N 3.35Å; I246-C250 PolarHBondContact O-SG 3.42Å; S247-C250 PolarHBondContact O-N 2.88Å; V248-C250 VanDerWaalsContact C-N 3.33Å; V248-C250 PolarHBondContact O-N 3.4Å; C250-I252 PolarHBondContact O-N 3.09Å; C250-W253 WeakPolarHBondContact O-CB 3.29Å; C250-W253 PolarHBondContact O-N 3.03Å; C250-W253 VanDerWaalsContact O-N 3.16Å; C250-F254 HydrophobicContact CB-CD2 4.43Å; C250-F254 HydrophobicContact CB-CE2 3.99Å; C250-F254 WeakPolarHBondContact O-CD2 3.4Å; C250-F254 WeakPolarHBondContact O-CG 3.16Å; C250-F254 PolarHBondContact O-N 3.31Å; C250-P833 HydrophobicContact CB-CB 3.8Å; C250-Y837 HydrophobicContact CB-CD2 3.81Å; C250-Y837 HydrophobicContact CB-CE2 4.43Å
251	E	94.5	Very high	93.4	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-44.6	178.1	-72.8	163	-162.9	0	0	111.7	F229 R232 S247 V248 W253 F254 A255 Y837	F229-E251 HydrophobicContact CE1-CB 3.81Å; F229-E251 HydrophobicContact CZ-CB 4.34Å; F229-E251 WeakPolarHBondContact CZ-O 3.44Å; R232-E251 IonicContact CZ-OE1 2.97Å; R232-E251 IonicContact CZ-OE2 3.94Å; R232-E251 IonicContact NE-OE1 2.64Å; R232-E251 PolarHBondContact NE-OE1 2.97Å; R232-E251 IonicContact NE-OE2 2.65Å; R232-E251 PolarHBondContact NE-OE2 3.22Å; R232-E251 IonicContact NH2-OE1 3.32Å; R232-E251 PolarHBondContact NH2-OE1 3.12Å; R232-E251 IonicContact NH2-OE2 3.82Å; R232-E251 PolarHBondContact NH2-OE2 3.01Å; S247-E251 WeakPolarHBondContact O-CB 3.28Å; S247-E251 WeakPolarHBondContact O-CG 3.26Å; S247-E251 PolarHBondContact O-N 3.22Å; V248-E251 PolarHBondContact O-N 2.84Å; E251-W253 VanDerWaalsContact C-N 3.32Å; E251-W253 PolarHBondContact O-N 3.49Å; E251-F254 PolarHBondContact O-N 3.41Å; E251-A255 PolarHBondContact O-N 2.98Å; E251-Y837 HydrophobicContact CG-CE2 4.1Å
252	I	95.5	Very high	93.8	Very high	68 Å²	68	39.2 Å²	39.2	35%	0.349	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-45.6	175	-70.2	167.9	0	0	0	110.2	F229 V248 I249 C250 F254 A255 L256	F229-I252 HydrophobicContact CD1-CG1 3.97Å; F229-I252 HydrophobicContact CE1-CB 4.4Å; F229-I252 HydrophobicContact CE1-CG1 3.63Å; F229-I252 HydrophobicContact CZ-CG1 4.17Å; V248-I252 HydrophobicContact CG1-CD1 3.89Å; V248-I252 HydrophobicContact CG1-CG1 4.44Å; V248-I252 VanDerWaalsContact O-CG1 3.28Å; V248-I252 WeakPolarHBondContact O-CG1 3.4Å; V248-I252 PolarHBondContact O-N 3.5Å; I249-I252 PolarHBondContact O-N 2.98Å; C250-I252 PolarHBondContact O-N 3.09Å; I252-F254 PolarHBondContact O-N 2.96Å; I252-A255 PolarHBondContact O-N 3.06Å; I252-L256 HydrophobicContact CG2-CD1 4.24Å; I252-L256 WeakPolarHBondContact O-CG 3.42Å; I252-L256 PolarHBondContact O-N 3.15Å
253	W	96.8	Very high	94.2	Very high	78 Å²	78	38.6 Å²	38.6	30%	0.295	19%	0.192	S	C	.	.	H	α-helix	trans	-62.8	-43.3	178.4	-172.8	-80.5	0	0	0	112.7	I249 C250 E251 A255 L256 S257 V826 F829 T830 P833	I249-W253 PolarHBondContact O-N 2.87Å; C250-W253 WeakPolarHBondContact O-CB 3.29Å; C250-W253 PolarHBondContact O-N 3.03Å; C250-W253 VanDerWaalsContact O-N 3.16Å; E251-W253 VanDerWaalsContact C-N 3.32Å; E251-W253 PolarHBondContact O-N 3.49Å; W253-A255 VanDerWaalsContact C-N 3.32Å; W253-A255 PolarHBondContact O-N 3.23Å; W253-L256 PolarHBondContact O-N 3.06Å; W253-S257 PolarHBondContact NE1-OG 2.85Å; W253-S257 WeakPolarHBondContact O-CB 3.49Å; W253-S257 PolarHBondContact O-N 3.17Å; W253-S257 PolarHBondContact O-OG 2.94Å; W253-S257 VanDerWaalsContact O-OG 3.06Å; W253-V826 HydrophobicContact CH2-CG1 3.91Å; W253-V826 HydrophobicContact CZ2-CG1 3.53Å; W253-F829 HydrophobicContact CH2-CB 3.79Å; W253-F829 HydrophobicContact CZ2-CB 3.52Å; W253-T830 VanDerWaalsContact NE1-CA 3.34Å; W253-T830 PolarHBondContact NE1-OG1 3.24Å; W253-P833 HydrophobicContact CB-CB 4.29Å; W253-P833 HydrophobicContact CB-CG 4.02Å; W253-P833 HydrophobicContact CD2-CG 4.27Å; W253-P833 HydrophobicContact CG-CB 4.4Å; W253-P833 HydrophobicContact CG-CG 3.61Å
254	F	95.7	Very high	94.6	Very high	46 Å²	46	38.4 Å²	38.4	20%	0.202	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-37	176.2	-66.6	-50.6	0	0	0	112.1	C250 E251 I252 S257 W258 T830 P833 L834 Y837 W895	C250-F254 HydrophobicContact CB-CD2 4.43Å; C250-F254 HydrophobicContact CB-CE2 3.99Å; C250-F254 WeakPolarHBondContact O-CD2 3.4Å; C250-F254 WeakPolarHBondContact O-CG 3.16Å; C250-F254 PolarHBondContact O-N 3.31Å; E251-F254 PolarHBondContact O-N 3.41Å; I252-F254 PolarHBondContact O-N 2.96Å; F254-S257 PolarHBondContact O-N 3.42Å; F254-W258 VanDerWaalsContact O-CB 3.28Å; F254-W258 WeakPolarHBondContact O-CB 3.44Å; F254-W258 PolarHBondContact O-N 3.45Å; F254-T830 HydrophobicContact CD1-CG2 4.13Å; F254-T830 HydrophobicContact CE1-CG2 3.91Å; F254-P833 HydrophobicContact CZ-CB 4.23Å; F254-L834 HydrophobicContact CE1-CB 4.4Å; F254-L834 HydrophobicContact CZ-CB 4.38Å; F254-L834 HydrophobicContact CZ-CD1 4.49Å; F254-Y837 HydrophobicContact CE2-CD1 4.34Å; F254-Y837 AromaticContact CE2-CD2 3.89Å; F254-Y837 HydrophobicContact CE2-CD2 3.89Å; F254-Y837 HydrophobicContact CE2-CE2 4.45Å; F254-Y837 AromaticContact CE2-CG 3.82Å; F254-Y837 HydrophobicContact CE2-CG 3.82Å; F254-Y837 HydrophobicContact CZ-CG 4.44Å; F254-W895 HydrophobicContact CE1-CH2 4.31Å
255	A	95.7	Very high	94.8	Very high	11 Å²	11	37.8 Å²	37.8	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-41.6	173.6	0	0	0	0	0	112.1	L225 F229 E251 I252 W253 W258 I259	L225-A255 HydrophobicContact CD1-CB 4.29Å; L225-A255 HydrophobicContact CD2-CB 4.28Å; F229-A255 HydrophobicContact CE2-CB 3.49Å; F229-A255 VanDerWaalsContact CE2-CB 3.49Å; F229-A255 HydrophobicContact CZ-CB 3.56Å; E251-A255 PolarHBondContact O-N 2.98Å; I252-A255 PolarHBondContact O-N 3.06Å; W253-A255 VanDerWaalsContact C-N 3.32Å; W253-A255 PolarHBondContact O-N 3.23Å; A255-W258 PolarHBondContact O-N 3.02Å; A255-I259 VanDerWaalsContact O-CG1 3.31Å; A255-I259 WeakPolarHBondContact O-CG1 3.4Å; A255-I259 PolarHBondContact O-N 2.92Å
256	L	95.6	Very high	95	Very high	92 Å²	92	37.3 Å²	37.3	48%	0.482	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-46.1	174.4	-69.9	173.9	0	0	0	111.7	I252 W253 W258 I259 L260	I252-L256 HydrophobicContact CG2-CD1 4.24Å; I252-L256 WeakPolarHBondContact O-CG 3.42Å; I252-L256 PolarHBondContact O-N 3.15Å; W253-L256 PolarHBondContact O-N 3.06Å; L256-W258 VanDerWaalsContact C-N 3.31Å; L256-W258 PolarHBondContact O-N 3.32Å; L256-I259 PolarHBondContact O-N 3.46Å; L256-L260 WeakPolarHBondContact O-CG 3.2Å; L256-L260 PolarHBondContact O-N 3.28Å
257	S	95.1	Very high	95.1	Very high	19 Å²	19	38.2 Å²	38.2	13%	0.133	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-42	176.7	-64.5	0	0	0	0	111.5	W253 F254 L260 D261 T830	W253-S257 PolarHBondContact NE1-OG 2.85Å; W253-S257 WeakPolarHBondContact O-CB 3.49Å; W253-S257 PolarHBondContact O-N 3.17Å; W253-S257 PolarHBondContact O-OG 2.94Å; W253-S257 VanDerWaalsContact O-OG 3.06Å; F254-S257 PolarHBondContact O-N 3.42Å; S257-L260 PolarHBondContact O-N 2.89Å; S257-D261 WeakPolarHBondContact O-CB 3.43Å; S257-D261 PolarHBondContact O-N 3.39Å; S257-T830 PolarHBondContact OG-OG1 2.74Å
258	W	95.3	Very high	95.2	Very high	21 Å²	21	38.5 Å²	38.5	8%	0.08	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-44.1	174.5	171.3	75.5	0	0	0	112.3	I218 R221 L222 L225 F254 A255 L256 L260 D261 Q262	I218-W258 HydrophobicContact CG2-CH2 4.18Å; I218-W258 HydrophobicContact CG2-CZ2 4.17Å; R221-W258 HydrophobicContact CB-CH2 3.95Å; R221-W258 HydrophobicContact CB-CZ2 3.95Å; R221-W258 VanDerWaalsContact CD-CZ2 3.44Å; R221-W258 HydrophobicContact CG-CH2 3.78Å; R221-W258 HydrophobicContact CG-CZ2 3.7Å; R221-W258 HydrophobicContact CG-CZ3 4.41Å; R221-W258 VanDerWaalsContact CZ-CD1 3.45Å; L222-W258 HydrophobicContact CB-CH2 4.42Å; L222-W258 HydrophobicContact CG-CZ3 4.27Å; L225-W258 HydrophobicContact CD1-CD2 4.44Å; L225-W258 HydrophobicContact CD1-CE3 3.49Å; L225-W258 VanDerWaalsContact CD1-CE3 3.49Å; L225-W258 HydrophobicContact CD1-CH2 4.26Å; L225-W258 HydrophobicContact CD1-CZ3 3.39Å; F254-W258 VanDerWaalsContact O-CB 3.28Å; F254-W258 WeakPolarHBondContact O-CB 3.44Å; F254-W258 PolarHBondContact O-N 3.45Å; A255-W258 PolarHBondContact O-N 3.02Å; L256-W258 VanDerWaalsContact C-N 3.31Å; L256-W258 PolarHBondContact O-N 3.32Å; W258-L260 VanDerWaalsContact C-N 3.34Å; W258-L260 PolarHBondContact O-N 3.48Å; W258-D261 PolarHBondContact O-N 2.96Å; W258-Q262 VanDerWaalsContact CD1-CG 3.47Å; W258-Q262 HydrophobicContact CD2-CG 4.23Å; W258-Q262 HydrophobicContact CG-CG 4.12Å; W258-Q262 HydrophobicContact CZ2-CG 4.23Å; W258-Q262 WeakPolarHBondContact O-CB 3.08Å; W258-Q262 WeakPolarHBondContact O-CG 3.19Å; W258-Q262 PolarHBondContact O-N 3.13Å
259	I	95.5	Very high	95.2	Very high	51 Å²	51	39.2 Å²	39.2	26%	0.262	19%	0.189	S	C	.	.	H	α-helix	trans	-59.6	-47.1	175.2	-70.5	166.7	0	0	0	110.4	A255 L256 D261 Q262 F263	A255-I259 VanDerWaalsContact O-CG1 3.31Å; A255-I259 WeakPolarHBondContact O-CG1 3.4Å; A255-I259 PolarHBondContact O-N 2.92Å; L256-I259 PolarHBondContact O-N 3.46Å; I259-D261 VanDerWaalsContact C-N 3.26Å; I259-D261 PolarHBondContact O-N 3.42Å; I259-Q262 PolarHBondContact O-N 2.98Å; I259-F263 HydrophobicContact CB-CD2 4.4Å; I259-F263 HydrophobicContact CB-CE2 4.44Å; I259-F263 HydrophobicContact CG1-CE2 4.43Å; I259-F263 HydrophobicContact CG2-CD2 3.75Å; I259-F263 HydrophobicContact CG2-CE2 3.83Å; I259-F263 VanDerWaalsContact O-CD2 3.24Å; I259-F263 WeakPolarHBondContact O-CD2 3.25Å; I259-F263 PolarHBondContact O-N 3.44Å
260	L	96	Very high	95.2	Very high	24 Å²	24	36.8 Å²	36.8	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-31.6	-179.9	-69.7	176.4	0	0	0	112.9	L256 S257 W258 P264 L819 I822 N823	L256-L260 WeakPolarHBondContact O-CG 3.2Å; L256-L260 PolarHBondContact O-N 3.28Å; S257-L260 PolarHBondContact O-N 2.89Å; W258-L260 VanDerWaalsContact C-N 3.34Å; W258-L260 PolarHBondContact O-N 3.48Å; L260-P264 WeakPolarHBondContact O-CD 3.32Å; L260-P264 VanDerWaalsContact O-CG 3.24Å; L260-P264 WeakPolarHBondContact O-CG 3.35Å; L260-L819 HydrophobicContact CD2-CB 4.44Å; L260-L819 HydrophobicContact CD2-CD2 3.94Å; L260-I822 HydrophobicContact CD1-CG2 4.03Å; L260-I822 HydrophobicContact CD2-CB 4.42Å; L260-I822 HydrophobicContact CD2-CG2 3.96Å; L260-N823 HydrophobicContact CB-CB 3.88Å
261	D	94.7	Very high	95.1	Very high	39 Å²	39	38 Å²	38	21%	0.209	18%	0.181	C	C	.	.	H	α-helix	trans	-80.9	-39.9	178	176.6	69.1	0	0	0	113.7	S257 W258 I259 K265	S257-D261 WeakPolarHBondContact O-CB 3.43Å; S257-D261 PolarHBondContact O-N 3.39Å; W258-D261 PolarHBondContact O-N 2.96Å; I259-D261 VanDerWaalsContact C-N 3.26Å; I259-D261 PolarHBondContact O-N 3.42Å; D261-K265 WeakPolarHBondContact O-CE 3.41Å; D261-K265 IonicContact OD1-NZ 2.78Å; D261-K265 PolarHBondContact OD1-NZ 3.31Å; D261-K265 WeakPolarHBondContact OD2-CE 3.46Å; D261-K265 IonicContact OD2-NZ 3.36Å; D261-K265 PolarHBondContact OD2-NZ 2.84Å
262	Q	95.5	Very high	94.9	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-82.9	-38	-170.4	-65	-69.1	-68.7	0	0	114.2	Y214 I218 W258 I259 K265	Y214-Q262 PolarHBondContact OH-OE1 3.45Å; I218-Q262 HydrophobicContact CD1-CB 4.46Å; W258-Q262 VanDerWaalsContact CD1-CG 3.47Å; W258-Q262 HydrophobicContact CD2-CG 4.23Å; W258-Q262 HydrophobicContact CG-CG 4.12Å; W258-Q262 HydrophobicContact CZ2-CG 4.23Å; W258-Q262 WeakPolarHBondContact O-CB 3.08Å; W258-Q262 WeakPolarHBondContact O-CG 3.19Å; W258-Q262 PolarHBondContact O-N 3.13Å; I259-Q262 PolarHBondContact O-N 2.98Å; Q262-K265 WeakPolarHBondContact O-CB 3.23Å; Q262-K265 PolarHBondContact O-N 3.34Å
263	F	95.7	Very high	94.9	Very high	49 Å²	49	39.3 Å²	39.3	22%	0.215	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-64.6	-36.8	-176.2	-84.9	-97.1	0	0	0	113.9	L222 I259 K265 W266 L816 L819	L222-F263 HydrophobicContact CD1-CE2 3.71Å; L222-F263 HydrophobicContact CD1-CZ 3.44Å; L222-F263 VanDerWaalsContact CD1-CZ 3.44Å; I259-F263 HydrophobicContact CB-CD2 4.4Å; I259-F263 HydrophobicContact CB-CE2 4.44Å; I259-F263 HydrophobicContact CG1-CE2 4.43Å; I259-F263 HydrophobicContact CG2-CD2 3.75Å; I259-F263 HydrophobicContact CG2-CE2 3.83Å; I259-F263 VanDerWaalsContact O-CD2 3.24Å; I259-F263 WeakPolarHBondContact O-CD2 3.25Å; I259-F263 PolarHBondContact O-N 3.44Å; F263-K265 PolarHBondContact O-N 3.45Å; F263-W266 VanDerWaalsContact O-CB 3.26Å; F263-W266 WeakPolarHBondContact O-CB 3.23Å; F263-W266 PolarHBondContact O-N 3.03Å; F263-L816 HydrophobicContact CB-CD2 4.14Å; F263-L816 HydrophobicContact CD1-CD2 4.44Å; F263-L819 HydrophobicContact CB-CD1 4.01Å
264	P	96.3	Very high	94.6	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.052	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60.6	-20.9	170.2	-27.5	37.3	0	0	0	114.5	L260 W266 G560 L561 I564 L819 A820	L260-P264 WeakPolarHBondContact O-CD 3.32Å; L260-P264 VanDerWaalsContact O-CG 3.24Å; L260-P264 WeakPolarHBondContact O-CG 3.35Å; P264-W266 PolarHBondContact O-N 3.4Å; P264-G560 CarbonylContact O-C 3.53Å; P264-L561 HydrophobicContact CB-CD2 3.84Å; P264-I564 WeakPolarHBondContact O-CD1 3.41Å; P264-L819 HydrophobicContact CG-CB 4.25Å; P264-A820 HydrophobicContact CB-CB 3.88Å; P264-A820 HydrophobicContact CG-CB 3.8Å
265	K	95.5	Very high	94.5	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-85.6	13.5	178.1	-55.7	169	-178.3	178	0	113	D261 Q262 F263 F267 P268 I556 N557 E877	D261-K265 WeakPolarHBondContact O-CE 3.41Å; D261-K265 IonicContact OD1-NZ 2.78Å; D261-K265 PolarHBondContact OD1-NZ 3.31Å; D261-K265 WeakPolarHBondContact OD2-CE 3.46Å; D261-K265 IonicContact OD2-NZ 3.36Å; D261-K265 PolarHBondContact OD2-NZ 2.84Å; Q262-K265 WeakPolarHBondContact O-CB 3.23Å; Q262-K265 PolarHBondContact O-N 3.34Å; F263-K265 PolarHBondContact O-N 3.45Å; K265-F267 PolarHBondContact O-N 3.13Å; K265-P268 WeakPolarHBondContact O-CD 3.18Å; K265-I556 HydrophobicContact CD-CG2 4.13Å; K265-N557 WeakPolarHBondContact CE-OD1 3.39Å; K265-N557 PolarHBondContact NZ-OD1 3.07Å; K265-E877 VanDerWaalsContact CD-OE1 3.29Å; K265-E877 WeakPolarHBondContact CD-OE1 3.29Å; K265-E877 IonicContact NZ-OE1 3.2Å; K265-E877 PolarHBondContact NZ-OE1 3.31Å
266	W	95.3	Very high	94	Very high	61 Å²	61	37 Å²	37	23%	0.231	18%	0.179	C	C	.	.	S	Bend	trans	-69.5	-34.3	-172.3	-164	-90.9	0	0	0	114	R215 I218 V219 F263 P264 P268 L816	R215-W266 HydrophobicContact CB-CH2 4.03Å; R215-W266 HydrophobicContact CB-CZ2 4.25Å; R215-W266 HydrophobicContact CB-CZ3 4.38Å; R215-W266 HydrophobicContact CG-CD2 4.37Å; R215-W266 HydrophobicContact CG-CE3 4.41Å; R215-W266 HydrophobicContact CG-CH2 4.25Å; R215-W266 HydrophobicContact CG-CZ2 4.2Å; R215-W266 HydrophobicContact CG-CZ3 4.35Å; R215-W266 VanDerWaalsContact CZ-O 3.31Å; R215-W266 PolarHBondContact NE-O 3.36Å; R215-W266 PolarHBondContact NH2-O 3.22Å; I218-W266 HydrophobicContact CG2-CZ3 4.26Å; V219-W266 HydrophobicContact CG2-CH2 3.88Å; V219-W266 HydrophobicContact CG2-CZ3 4.46Å; F263-W266 VanDerWaalsContact O-CB 3.26Å; F263-W266 WeakPolarHBondContact O-CB 3.23Å; F263-W266 PolarHBondContact O-N 3.03Å; P264-W266 PolarHBondContact O-N 3.4Å; W266-P268 VanDerWaalsContact C-CD 3.42Å; W266-P268 WeakPolarHBondContact O-CD 3.28Å; W266-L816 HydrophobicContact CB-CD1 4.23Å
267	F	93.6	Very high	93.7	Very high	96 Å²	96	34.8 Å²	34.8	42%	0.421	16%	0.164	S	C	.	.	S	Bend	trans	-121.6	61.6	-176.4	-61.8	-71.4	0	0	0	112.1	K265 G563 I564 L816	K265-F267 PolarHBondContact O-N 3.13Å; F267-G563 VanDerWaalsContact O-CA 3.23Å; F267-G563 WeakPolarHBondContact O-CA 3.03Å; F267-I564 HydrophobicContact CD2-CG1 4.41Å; F267-L816 HydrophobicContact CD2-CD1 3.99Å; F267-L816 HydrophobicContact CE2-CD1 3.9Å
268	P	95.3	Very high	93.4	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.045	16%	0.158	C	C	.	.			trans	-70.8	139	-179.3	30.8	-30.3	0	0	0	110.4	I206 I211 K265 W266 R559 W880	I206-P268 HydrophobicContact CD1-CB 3.6Å; I206-P268 HydrophobicContact CD1-CG 3.67Å; I211-P268 HydrophobicContact CD1-CG 3.53Å; I211-P268 HydrophobicContact CG1-CG 4.19Å; K265-P268 WeakPolarHBondContact O-CD 3.18Å; W266-P268 VanDerWaalsContact C-CD 3.42Å; W266-P268 WeakPolarHBondContact O-CD 3.28Å; P268-R559 VanDerWaalsContact CA-O 3.32Å; P268-R559 WeakPolarHBondContact CA-O 3.49Å; P268-R559 HydrophobicContact CB-CB 4.49Å; P268-W880 HydrophobicContact CB-CE3 4.18Å; P268-W880 HydrophobicContact CB-CH2 3.84Å; P268-W880 HydrophobicContact CB-CZ3 3.57Å; P268-W880 HydrophobicContact CG-CD2 4.49Å; P268-W880 HydrophobicContact CG-CE3 4.11Å; P268-W880 HydrophobicContact CG-CH2 4.16Å; P268-W880 HydrophobicContact CG-CZ3 3.94Å
269	I	92.6	Very high	93	Very high	23 Å²	23	33.8 Å²	33.8	12%	0.118	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158.7	178.1	64.9	169.1	0	0	0	111.2	K203 R559 D562	K203-I269 HydrophobicContact CD-CD1 3.94Å; K203-I269 HydrophobicContact CG-CD1 4.44Å; I269-R559 PolarHBondContact N-O 3.01Å; I269-D562 HydrophobicContact CD1-CB 4.38Å; I269-D562 WeakPolarHBondContact CD1-O 3.12Å; I269-D562 WeakPolarHBondContact CD1-OD2 2.94Å; I269-D562 HydrophobicContact CG1-CB 4.04Å; I269-D562 WeakPolarHBondContact CG1-OD2 3.5Å
270	N	92.7	Very high	92.3	Very high	51 Å²	51	32.2 Å²	32.2	27%	0.273	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157.8	165.9	-69.3	-29.2	0	0	0	109.6	K203 V204 R559	K203-N270 WeakPolarHBondContact CA-O 3.38Å; V204-N270 HydrophobicContact CB-CB 4.12Å; V204-N270 PolarHBondContact N-O 3.37Å; V204-N270 PolarHBondContact O-N 2.94Å; V204-N270 VanDerWaalsContact O-N 3.11Å; N270-R559 WeakPolarHBondContact OD1-CD 3.36Å; N270-R559 PolarHBondContact OD1-NE 3.36Å
271	R	93.6	Very high	91.7	Very high	28 Å²	28	34.7 Å²	34.7	11%	0.106	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.9	175.7	-64.3	-178.3	-171	-110.5	9.1	110.6	R202 F518 D562	R202-R271 WeakPolarHBondContact O-CA 3.47Å; R271-F518 HydrophobicContact CB-CE1 4.34Å; R271-F518 HydrophobicContact CB-CZ 4.07Å; R271-D562 WeakPolarHBondContact CD-OD2 2.98Å; R271-D562 IonicContact CZ-OD1 2.77Å; R271-D562 IonicContact CZ-OD2 3.54Å; R271-D562 VanDerWaalsContact NE-CG 3.31Å; R271-D562 IonicContact NE-OD1 2.65Å; R271-D562 PolarHBondContact NE-OD1 3.39Å; R271-D562 VanDerWaalsContact NE-OD1 3.08Å; R271-D562 IonicContact NE-OD2 2.82Å; R271-D562 PolarHBondContact NE-OD2 2.98Å; R271-D562 PolarHBondContact NH2-O 3.41Å; R271-D562 IonicContact NH2-OD1 3.03Å; R271-D562 PolarHBondContact NH2-OD1 2.96Å; R271-D562 IonicContact NH2-OD2 3.29Å
272	E	91.5	Very high	91.4	Very high	79 Å²	79	34.2 Å²	34.2	37%	0.369	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.6	172.3	-69.5	177	-176.4	0	0	109.1	W201 R202 V204	W201-E272 CarbonylContact C-O 3.35Å; W201-E272 WeakPolarHBondContact CA-O 3.16Å; W201-E272 WeakPolarHBondContact CB-O 3.23Å; R202-E272 HydrophobicContact CG-CB 4.08Å; R202-E272 IonicContact CZ-OE2 3.09Å; R202-E272 PolarHBondContact N-O 2.61Å; R202-E272 IonicContact NE-OE2 2.67Å; R202-E272 PolarHBondContact NE-OE2 3.13Å; R202-E272 IonicContact NH2-OE1 3.61Å; R202-E272 IonicContact NH2-OE2 3.34Å; R202-E272 PolarHBondContact NH2-OE2 3.34Å; R202-E272 PolarHBondContact O-N 2.93Å; R202-E272 VanDerWaalsContact O-N 3.09Å; V204-E272 HydrophobicContact CG2-CB 4.45Å; V204-E272 HydrophobicContact CG2-CG 3.81Å
273	T	94.4	Very high	90.9	Very high	31 Å²	31	35.5 Å²	35.5	19%	0.19	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.9	-176	41.4	0	0	0	0	109.5	E514 C517 F518	T273-E514 WeakPolarHBondContact CB-OE2 3.4Å; T273-E514 PolarHBondContact OG1-OE2 3.06Å; T273-C517 HydrophobicContact CG2-CB 3.84Å; T273-F518 HydrophobicContact CG2-CD2 4.32Å; T273-F518 HydrophobicContact CG2-CE1 4.4Å; T273-F518 HydrophobicContact CG2-CE2 3.35Å; T273-F518 HydrophobicContact CG2-CZ 3.41Å; T273-F518 VanDerWaalsContact CG2-CZ 3.41Å
274	Y	91.7	Very high	90.1	Very high	45 Å²	45	37 Å²	37	18%	0.176	17%	0.166	C	C	.	.			trans	-122.4	88.7	-178.7	-62.8	-70.1	0	0	0	109.4	L200 R202 D276 R277 L278	L200-Y274 PolarHBondContact O-N 3.22Å; R202-Y274 HydrophobicContact CB-CE2 4.23Å; R202-Y274 WeakPolarHBondContact CD-OH 3.37Å; R202-Y274 HydrophobicContact CG-CE2 3.91Å; R202-Y274 PolarHBondContact NE-OH 2.66Å; Y274-D276 VanDerWaalsContact C-N 3.29Å; Y274-D276 PolarHBondContact O-N 3.07Å; Y274-R277 VanDerWaalsContact CE2-NH1 3.33Å; Y274-R277 PolarHBondContact O-N 3.29Å; Y274-L278 PolarHBondContact O-N 2.88Å
275	L	91.9	Very high	89	Confident	17 Å²	17	42.1 Å²	42.1	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-32.6	-176.9	-61.9	-175.8	0	0	0	112.8	L278 S279 K510 R513 E514	L275-L278 WeakPolarHBondContact O-CB 3.16Å; L275-L278 PolarHBondContact O-N 3.35Å; L275-S279 PolarHBondContact O-N 3.28Å; L275-S279 PolarHBondContact O-OG 3.47Å; L275-K510 HydrophobicContact CD1-CB 3.88Å; L275-K510 HydrophobicContact CD1-CD 3.81Å; L275-K510 HydrophobicContact CD1-CG 4.31Å; L275-R513 HydrophobicContact CD2-CB 3.79Å; L275-E514 HydrophobicContact CD2-CG 4.28Å; L275-E514 WeakPolarHBondContact CD2-OE2 3.34Å
276	D	86.7	Confident	88.1	Confident	24 Å²	24	46.4 Å²	46.4	13%	0.128	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-45.7	172.4	58.2	-54.2	0	0	0	112	R160 Y274 L278 S279 M280	R160-D276 IonicContact CZ-OD2 3.52Å; R160-D276 IonicContact NH1-OD2 2.74Å; R160-D276 VanDerWaalsContact NH2-CB 3.31Å; R160-D276 IonicContact NH2-OD1 2.8Å; R160-D276 PolarHBondContact NH2-OD1 2.89Å; R160-D276 IonicContact NH2-OD2 3.37Å; R160-D276 PolarHBondContact NH2-OD2 3.49Å; Y274-D276 VanDerWaalsContact C-N 3.29Å; Y274-D276 PolarHBondContact O-N 3.07Å; D276-L278 VanDerWaalsContact C-N 3.32Å; D276-L278 PolarHBondContact O-N 2.94Å; D276-S279 PolarHBondContact O-N 3.36Å; D276-M280 WeakPolarHBondContact O-CG 3.45Å; D276-M280 PolarHBondContact O-N 2.93Å
277	R	87.9	Confident	87.3	Confident	45 Å²	45	47.6 Å²	47.6	17%	0.17	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-34.1	179.4	-61.4	177.9	-175.2	170.6	-0.8	111.9	Q198 P199 L200 Y274 M280 R281	Q198-R277 HydrophobicContact CB-CG 4.48Å; P199-R277 VanDerWaalsContact O-CD 3.24Å; P199-R277 WeakPolarHBondContact O-CD 3.5Å; P199-R277 PolarHBondContact O-NH1 3.47Å; L200-R277 HydrophobicContact CD2-CB 3.9Å; Y274-R277 VanDerWaalsContact CE2-NH1 3.33Å; Y274-R277 PolarHBondContact O-N 3.29Å; R277-M280 HydrophobicContact CB-CE 4.3Å; R277-M280 HydrophobicContact CG-CE 3.9Å; R277-R281 VanDerWaalsContact O-CB 3.3Å; R277-R281 WeakPolarHBondContact O-CB 3.2Å; R277-R281 PolarHBondContact O-N 3.31Å; R277-R281 VanDerWaalsContact O-N 3.14Å
278	L	89.6	Confident	86.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-48.7	172.6	-174.9	78	0	0	0	110.3	L200 Y274 L275 D276 R281 F282 L291 R513 M516	L200-L278 HydrophobicContact CD1-CD1 3.99Å; L200-L278 HydrophobicContact CD2-CB 4.3Å; L200-L278 HydrophobicContact CD2-CD1 4.49Å; Y274-L278 PolarHBondContact O-N 2.88Å; L275-L278 WeakPolarHBondContact O-CB 3.16Å; L275-L278 PolarHBondContact O-N 3.35Å; D276-L278 VanDerWaalsContact C-N 3.32Å; D276-L278 PolarHBondContact O-N 2.94Å; L278-R281 PolarHBondContact O-N 2.98Å; L278-F282 HydrophobicContact CD1-CD2 3.62Å; L278-F282 HydrophobicContact CD1-CE2 3.82Å; L278-F282 HydrophobicContact CG-CD2 4.23Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 3.33Å; L278-L291 HydrophobicContact CD1-CD2 4.2Å; L278-L291 HydrophobicContact CD2-CD2 4.05Å; L278-L291 HydrophobicContact CG-CD2 4.01Å; L278-R513 HydrophobicContact CD2-CB 3.88Å; L278-R513 HydrophobicContact CD2-CG 4.48Å; L278-R513 WeakPolarHBondContact CD2-O 3.37Å; L278-M516 HydrophobicContact CD1-CB 4.15Å; L278-M516 HydrophobicContact CD2-CB 4Å
279	S	87.3	Confident	86.4	Confident	20 Å²	20	54.2 Å²	54.2	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-45.6	178.8	-65.1	0	0	0	0	112.3	L275 D276 R281 F282 E283 R513	L275-S279 PolarHBondContact O-N 3.28Å; L275-S279 PolarHBondContact O-OG 3.47Å; D276-S279 PolarHBondContact O-N 3.36Å; S279-R281 PolarHBondContact O-N 2.7Å; S279-R281 VanDerWaalsContact O-N 3.17Å; S279-F282 PolarHBondContact O-N 3.47Å; S279-E283 VanDerWaalsContact CA-OE2 3.29Å; S279-E283 WeakPolarHBondContact CA-OE2 3.49Å; S279-E283 VanDerWaalsContact CB-OE2 3.26Å; S279-E283 WeakPolarHBondContact CB-OE2 3.42Å; S279-E283 CarbonylContact O-C 3.58Å; S279-E283 VanDerWaalsContact O-C 3.32Å; S279-E283 VanDerWaalsContact O-CA 3.27Å; S279-E283 WeakPolarHBondContact O-CA 3.36Å; S279-E283 WeakPolarHBondContact O-CB 3.42Å; S279-E283 PolarHBondContact O-N 3.36Å; S279-E283 PolarHBondContact OG-OE2 3.28Å; S279-R513 PolarHBondContact OG-NH1 2.87Å
280	M	81.4	Confident	86.2	Confident	18 Å²	18	58.5 Å²	58.5	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-33.3	175.6	-71.2	-173.9	-68.8	0	0	113.1	W164 E195 D276 R277 R284	W164-M280 HydrophobicContact CH2-CG 4.42Å; W164-M280 HydrophobicContact CZ2-CG 3.74Å; W164-M280 HydrophobicContact CZ2-SD 4.19Å; W164-M280 PolarHBondContact NE1-SD 3.45Å; W164-M280 VanDerWaalsContact NE1-SD 3.43Å; E195-M280 VanDerWaalsContact CD-SD 3.58Å; E195-M280 HydrophobicContact CG-CE 3.71Å; E195-M280 HydrophobicContact CG-SD 3.93Å; D276-M280 WeakPolarHBondContact O-CG 3.45Å; D276-M280 PolarHBondContact O-N 2.93Å; R277-M280 HydrophobicContact CB-CE 4.3Å; R277-M280 HydrophobicContact CG-CE 3.9Å; M280-R284 WeakPolarHBondContact O-CG 3.39Å
281	R	83.2	Confident	86.3	Confident	76 Å²	76	56.2 Å²	56.2	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-84.5	-35.3	-177.1	-171	173.9	-174.6	167.1	4.7	113.9	A196 R277 L278 S279	A196-R281 HydrophobicContact CB-CB 4.4Å; A196-R281 WeakPolarHBondContact O-CD 3.28Å; R277-R281 VanDerWaalsContact O-CB 3.3Å; R277-R281 WeakPolarHBondContact O-CB 3.2Å; R277-R281 PolarHBondContact O-N 3.31Å; R277-R281 VanDerWaalsContact O-N 3.14Å; L278-R281 PolarHBondContact O-N 2.98Å; S279-R281 PolarHBondContact O-N 2.7Å; S279-R281 VanDerWaalsContact O-N 3.17Å
282	F	87.4	Confident	86.3	Confident	29 Å²	29	55.5 Å²	55.5	13%	0.127	28%	0.283	C	S	.	.	H	α-helix	trans	-121.7	-5.6	-170	-61.6	-73.3	0	0	0	114.5	L200 L278 S279 K290 L291 M520	L200-F282 HydrophobicContact CD1-CE2 4Å; L278-F282 HydrophobicContact CD1-CD2 3.62Å; L278-F282 HydrophobicContact CD1-CE2 3.82Å; L278-F282 HydrophobicContact CG-CD2 4.23Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 3.33Å; S279-F282 PolarHBondContact O-N 3.47Å; F282-K290 HydrophobicContact CB-CB 4.28Å; F282-K290 HydrophobicContact CD1-CB 3.97Å; F282-K290 PolarHBondContact O-N 3.07Å; F282-L291 HydrophobicContact CB-CD2 3.73Å; F282-L291 HydrophobicContact CB-CG 4.01Å; F282-L291 HydrophobicContact CD2-CD2 4.32Å; F282-L291 HydrophobicContact CG-CD2 4.23Å; F282-M520 HydrophobicContact CD1-CE 3.73Å; F282-M520 HydrophobicContact CD2-CE 4.4Å; F282-M520 HydrophobicContact CE1-CE 3.62Å; F282-M520 HydrophobicContact CE2-CB 4.35Å; F282-M520 HydrophobicContact CE2-CE 4.3Å; F282-M520 HydrophobicContact CG-CE 4.13Å; F282-M520 HydrophobicContact CZ-CB 4.2Å; F282-M520 HydrophobicContact CZ-CE 3.92Å
283	E	84.8	Confident	86.6	Confident	34 Å²	34	53.8 Å²	53.8	16%	0.159	28%	0.278	C	S	.	.			trans	-136.1	53.5	-173.9	-49.9	-177.2	99.1	0	0	110.3	S279 N289 L291 R513	S279-E283 VanDerWaalsContact CA-OE2 3.29Å; S279-E283 WeakPolarHBondContact CA-OE2 3.49Å; S279-E283 VanDerWaalsContact CB-OE2 3.26Å; S279-E283 WeakPolarHBondContact CB-OE2 3.42Å; S279-E283 CarbonylContact O-C 3.58Å; S279-E283 VanDerWaalsContact O-C 3.32Å; S279-E283 VanDerWaalsContact O-CA 3.27Å; S279-E283 WeakPolarHBondContact O-CA 3.36Å; S279-E283 WeakPolarHBondContact O-CB 3.42Å; S279-E283 PolarHBondContact O-N 3.36Å; S279-E283 PolarHBondContact OG-OE2 3.28Å; E283-N289 WeakPolarHBondContact CG-ND2 3.31Å; E283-N289 PolarHBondContact OE1-ND2 2.8Å; E283-N289 VanDerWaalsContact OE1-ND2 3.1Å; E283-L291 VanDerWaalsContact CD-CD1 3.45Å; E283-L291 HydrophobicContact CG-CD1 3.76Å; E283-L291 HydrophobicContact CG-CG 3.92Å; E283-L291 VanDerWaalsContact OE1-CD1 3.32Å; E283-L291 WeakPolarHBondContact OE1-CD1 3.46Å; E283-R513 IonicContact OE1-CZ 3.58Å; E283-R513 IonicContact OE1-NH1 2.66Å; E283-R513 PolarHBondContact OE1-NH1 3.29Å; E283-R513 IonicContact OE1-NH2 2.65Å; E283-R513 PolarHBondContact OE1-NH2 2.61Å; E283-R513 IonicContact OE2-CZ 2.74Å; E283-R513 IonicContact OE2-NH1 3.61Å; E283-R513 PolarHBondContact OE2-NH1 3.06Å
284	R	78.6	Confident	86.7	Confident	80 Å²	80	52.3 Å²	52.3	30%	0.302	27%	0.27	S	S	.	.			trans	-70.2	136.4	174.6	-64.7	179.5	177.5	-172.3	-7.4	109.9	D193 M280 E287	D193-R284 IonicContact OD1-CZ 2.72Å; D193-R284 IonicContact OD1-NH1 3.86Å; D193-R284 IonicContact OD1-NH2 3.56Å; D193-R284 PolarHBondContact OD1-NH2 2.9Å; M280-R284 WeakPolarHBondContact O-CG 3.39Å; R284-E287 HydrophobicContact CB-CB 4.23Å; R284-E287 HydrophobicContact CB-CG 4.27Å; R284-E287 WeakPolarHBondContact CD-OE1 3.33Å; R284-E287 IonicContact NH1-OE1 2.78Å; R284-E287 PolarHBondContact O-N 3.43Å
285	D	73	Confident	87.1	Confident	116 Å²	116	50.3 Å²	50.3	62%	0.62	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	138	177.1	-70	-39.1	0	0	0	109.9	E287	D285-E287 PolarHBondContact O-N 3.49Å
286	G	76.6	Confident	87.4	Confident	94 Å²	94	49.5 Å²	49.5	97%	0.969	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-21.5	-175.4	0	0	0	0	0	115.5
287	E	78.6	Confident	87.9	Confident	87 Å²	87	48.3 Å²	48.3	41%	0.407	25%	0.251	S	S	.	.	S	Bend	trans	-89.8	157.8	174.6	-69.7	-171.9	-153.6	0	0	112.7	R284 D285 N289 K290	R284-E287 HydrophobicContact CB-CB 4.23Å; R284-E287 HydrophobicContact CB-CG 4.27Å; R284-E287 WeakPolarHBondContact CD-OE1 3.33Å; R284-E287 IonicContact NH1-OE1 2.78Å; R284-E287 PolarHBondContact O-N 3.43Å; D285-E287 PolarHBondContact O-N 3.49Å; E287-N289 PolarHBondContact O-N 2.76Å; E287-K290 WeakPolarHBondContact OE2-CE 3.34Å; E287-K290 IonicContact OE2-NZ 3.22Å; E287-K290 PolarHBondContact OE2-NZ 3.04Å
288	K	82.5	Confident	88.3	Confident	193 Å²	193	46.2 Å²	46.2	84%	0.839	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-63.9	125.7	166.2	-69.3	-177.7	-178.8	176.9	0	108.7	K290	K288-K290 WeakPolarHBondContact O-CG 3.29Å; K288-K290 PolarHBondContact O-N 2.89Å
289	N	87.5	Confident	88.4	Confident	48 Å²	48	46.9 Å²	46.9	26%	0.257	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-50.1	130.8	173.4	-174.2	-56.8	0	0	0	109.9	E283 E287 L291 P324 K327	E283-N289 WeakPolarHBondContact CG-ND2 3.31Å; E283-N289 PolarHBondContact OE1-ND2 2.8Å; E283-N289 VanDerWaalsContact OE1-ND2 3.1Å; E287-N289 PolarHBondContact O-N 2.76Å; N289-L291 WeakPolarHBondContact OD1-CB 3.48Å; N289-L291 WeakPolarHBondContact OD1-CG 3.36Å; N289-L291 PolarHBondContact OD1-N 3.21Å; N289-P324 HydrophobicContact CB-CG 4.39Å; N289-P324 WeakPolarHBondContact ND2-CG 3.32Å; N289-K327 PolarHBondContact O-NZ 3.09Å; N289-K327 PolarHBondContact OD1-NZ 3Å
290	K	89.4	Confident	88.5	Confident	113 Å²	113	46 Å²	46	49%	0.491	24%	0.242	S	C	.	.			trans	-104.7	3.2	-175.6	-63.5	178.4	-172	159.4	0	113.7	F282 E287 K288 M520	F282-K290 HydrophobicContact CB-CB 4.28Å; F282-K290 HydrophobicContact CD1-CB 3.97Å; F282-K290 PolarHBondContact O-N 3.07Å; E287-K290 WeakPolarHBondContact OE2-CE 3.34Å; E287-K290 IonicContact OE2-NZ 3.22Å; E287-K290 PolarHBondContact OE2-NZ 3.04Å; K288-K290 WeakPolarHBondContact O-CG 3.29Å; K288-K290 PolarHBondContact O-N 2.89Å; K290-M520 WeakPolarHBondContact O-CE 3.32Å
291	L	94.4	Very high	88.2	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.016	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-56.1	147.4	172.9	-69.5	175.3	0	0	0	111.6	L278 F282 E283 N289 Y323 P324 K327 M520	L278-L291 HydrophobicContact CD1-CD2 4.2Å; L278-L291 HydrophobicContact CD2-CD2 4.05Å; L278-L291 HydrophobicContact CG-CD2 4.01Å; F282-L291 HydrophobicContact CB-CD2 3.73Å; F282-L291 HydrophobicContact CB-CG 4.01Å; F282-L291 HydrophobicContact CD2-CD2 4.32Å; F282-L291 HydrophobicContact CG-CD2 4.23Å; E283-L291 VanDerWaalsContact CD-CD1 3.45Å; E283-L291 HydrophobicContact CG-CD1 3.76Å; E283-L291 HydrophobicContact CG-CG 3.92Å; E283-L291 VanDerWaalsContact OE1-CD1 3.32Å; E283-L291 WeakPolarHBondContact OE1-CD1 3.46Å; N289-L291 WeakPolarHBondContact OD1-CB 3.48Å; N289-L291 WeakPolarHBondContact OD1-CG 3.36Å; N289-L291 PolarHBondContact OD1-N 3.21Å; L291-Y323 HydrophobicContact CB-CE1 4.49Å; L291-Y323 HydrophobicContact CB-CE2 4.31Å; L291-Y323 WeakPolarHBondContact CB-OH 3.23Å; L291-Y323 HydrophobicContact CD1-CD2 4.22Å; L291-Y323 HydrophobicContact CD1-CE2 3.71Å; L291-Y323 HydrophobicContact CG-CE2 4.47Å; L291-P324 HydrophobicContact CD1-CG 4.32Å; L291-K327 HydrophobicContact CB-CD 4.45Å; L291-K327 VanDerWaalsContact N-NZ 3.2Å; L291-K327 VanDerWaalsContact O-CD 3.23Å; L291-K327 WeakPolarHBondContact O-CD 3.1Å; L291-K327 VanDerWaalsContact O-CE 3.28Å; L291-K327 WeakPolarHBondContact O-CE 3.45Å; L291-K327 PolarHBondContact O-NZ 3.47Å; L291-M520 HydrophobicContact CD2-SD 3.99Å
292	A	94.9	Very high	87.9	Confident	14 Å²	14	46.6 Å²	46.6	12%	0.116	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-75.2	147	179.8	0	0	0	0	0	111.5	Y323 P495 F496 M516 M520	A292-Y323 WeakPolarHBondContact O-CE1 3.26Å; A292-Y323 PolarHBondContact O-OH 3.38Å; A292-P495 HydrophobicContact CB-CG 4.02Å; A292-F496 HydrophobicContact CB-CD2 3.62Å; A292-F496 HydrophobicContact CB-CE2 3.45Å; A292-F496 VanDerWaalsContact CB-CE2 3.45Å; A292-M516 HydrophobicContact CB-SD 4.34Å; A292-M520 HydrophobicContact CB-CE 4.2Å; A292-M520 HydrophobicContact CB-CG 4.36Å; A292-M520 HydrophobicContact CB-SD 3.98Å; A292-M520 PolarHBondContact N-SD 3.17Å; A292-M520 VanDerWaalsContact N-SD 3.44Å
293	P	96.4	Very high	87.4	Confident	42 Å²	42	45.3 Å²	45.3	27%	0.273	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-66.5	151.6	170.4	20.8	-21.1	0	0	0	111.7	K327 A494 P495	P293-K327 CarbonylContact C-O 3.52Å; P293-K327 WeakPolarHBondContact CA-O 3.45Å; P293-K327 HydrophobicContact CB-CB 4.31Å; P293-A494 HydrophobicContact CB-CB 4.01Å; P293-A494 HydrophobicContact CG-CB 4.43Å; P293-P495 WeakPolarHBondContact O-CD 3.41Å
294	V	97.8	Very high	86.9	Confident	1 Å²	1	49 Å²	49	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124.6	-180	-173.5	0	0	0	0	109.7	Y323 K327 V328 S329 F496 L498 I512 M516	V294-Y323 HydrophobicContact CG2-CE1 4.28Å; V294-K327 PolarHBondContact N-O 3.21Å; V294-V328 WeakPolarHBondContact O-CA 3.47Å; V294-S329 PolarHBondContact O-N 3.15Å; V294-F496 WeakPolarHBondContact CA-O 3.32Å; V294-F496 HydrophobicContact CG2-CB 4.27Å; V294-L498 HydrophobicContact CG1-CB 4.35Å; V294-I512 HydrophobicContact CB-CG2 4.35Å; V294-I512 HydrophobicContact CG2-CG2 3.77Å; V294-M516 HydrophobicContact CG2-CE 3.97Å; V294-M516 HydrophobicContact CG2-SD 4.43Å
295	D	98.3	Very high	86.6	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.011	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.4	168.2	-65	-32.6	0	0	0	109.4	F297 S329 Y331 S488 T492 A494 F496 M497 L498 R578	D295-F297 HydrophobicContact CB-CD1 4.4Å; D295-F297 HydrophobicContact CB-CE1 3.74Å; D295-F297 HydrophobicContact CB-CZ 4.34Å; D295-S329 CarbonylContact C-O 3.55Å; D295-S329 WeakPolarHBondContact CA-O 3.26Å; D295-Y331 HydrophobicContact CB-CD2 4.18Å; D295-Y331 HydrophobicContact CB-CE2 3.94Å; D295-S488 WeakPolarHBondContact OD2-CB 3.34Å; D295-S488 PolarHBondContact OD2-OG 2.84Å; D295-T492 WeakPolarHBondContact OD1-CB 3.24Å; D295-T492 PolarHBondContact OD1-OG1 3.01Å; D295-T492 PolarHBondContact OD2-OG1 3.17Å; D295-A494 HydrophobicContact CB-CB 4.22Å; D295-A494 VanDerWaalsContact CG-CB 3.43Å; D295-A494 WeakPolarHBondContact OD1-CB 3.28Å; D295-A494 WeakPolarHBondContact OD2-CB 3.48Å; D295-F496 PolarHBondContact N-O 3.22Å; D295-M497 HydrophobicContact CB-CG 4.23Å; D295-M497 CarbonylContact O-C 3.51Å; D295-M497 WeakPolarHBondContact O-CA 3.49Å; D295-L498 PolarHBondContact O-N 3.4Å; D295-R578 IonicContact OD2-NH2 3.67Å; D295-R578 PolarHBondContact OD2-NH2 3.11Å
296	V	98.4	Very high	87	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.9	177.9	-173.8	0	0	0	0	108.5	I318 V328 S329 C330 Y331 L498 L500 I512	V296-I318 HydrophobicContact CB-CG2 3.89Å; V296-I318 HydrophobicContact CG1-CD1 3.78Å; V296-I318 HydrophobicContact CG1-CG1 4.07Å; V296-I318 HydrophobicContact CG1-CG2 3.83Å; V296-I318 HydrophobicContact CG2-CG2 3.95Å; V296-V328 HydrophobicContact CG2-CG1 4.1Å; V296-S329 PolarHBondContact N-O 3.27Å; V296-C330 CarbonylContact O-C 3.05Å; V296-C330 WeakPolarHBondContact O-CA 3.28Å; V296-Y331 PolarHBondContact O-N 3.07Å; V296-L498 CarbonylContact C-O 3.43Å; V296-L498 WeakPolarHBondContact CA-O 3.41Å; V296-L498 HydrophobicContact CG1-CB 4.32Å; V296-L498 HydrophobicContact CG1-CD2 4.02Å; V296-L498 HydrophobicContact CG1-CG 4.14Å; V296-L498 HydrophobicContact CG2-CB 4.24Å; V296-L498 HydrophobicContact CG2-CD2 4.27Å; V296-L500 HydrophobicContact CG1-CD1 4.04Å; V296-I512 HydrophobicContact CG2-CD1 4.41Å
297	F	98.3	Very high	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125	-176.9	-65.8	-10.8	0	0	0	109.8	D295 Y331 M481 M484 V485 S488 M497 L498 L500	D295-F297 HydrophobicContact CB-CD1 4.4Å; D295-F297 HydrophobicContact CB-CE1 3.74Å; D295-F297 HydrophobicContact CB-CZ 4.34Å; F297-Y331 WeakPolarHBondContact CA-O 3.29Å; F297-Y331 HydrophobicContact CD1-CD2 4.03Å; F297-Y331 HydrophobicContact CD1-CG 4.26Å; F297-Y331 AromaticContact CE1-CD2 3.81Å; F297-Y331 HydrophobicContact CE1-CD2 3.81Å; F297-Y331 HydrophobicContact CE1-CE2 4.47Å; F297-Y331 HydrophobicContact CE1-CG 4.17Å; F297-M481 HydrophobicContact CB-CE 4.11Å; F297-M481 HydrophobicContact CD2-CE 3.77Å; F297-M481 HydrophobicContact CG-CE 4.46Å; F297-M484 HydrophobicContact CB-CE 3.8Å; F297-M484 HydrophobicContact CB-SD 3.67Å; F297-M484 HydrophobicContact CD1-CB 4.1Å; F297-M484 HydrophobicContact CD1-SD 4.21Å; F297-M484 HydrophobicContact CD2-CB 3.94Å; F297-M484 HydrophobicContact CD2-CE 4.46Å; F297-M484 HydrophobicContact CE1-CB 4.12Å; F297-M484 HydrophobicContact CE2-CB 3.96Å; F297-M484 HydrophobicContact CG-CB 4.01Å; F297-M484 HydrophobicContact CG-CE 4.25Å; F297-M484 HydrophobicContact CG-SD 3.9Å; F297-M484 HydrophobicContact CZ-CB 4.05Å; F297-V485 HydrophobicContact CE2-CG2 3.87Å; F297-S488 WeakPolarHBondContact CZ-OG 3.22Å; F297-M497 HydrophobicContact CE2-CB 4.18Å; F297-M497 HydrophobicContact CE2-CG 4.08Å; F297-M497 HydrophobicContact CE2-SD 3.45Å; F297-M497 WeakPolarHBondContact CE2-SD 3.35Å; F297-M497 HydrophobicContact CZ-CB 4.4Å; F297-M497 HydrophobicContact CZ-CG 3.93Å; F297-M497 HydrophobicContact CZ-SD 3.5Å; F297-M497 WeakPolarHBondContact CZ-SD 3.41Å; F297-L498 PolarHBondContact N-O 3.42Å; F297-L500 PolarHBondContact O-N 3.21Å
298	V	96.8	Very high	88.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.1	175.2	-177.3	0	0	0	0	108.2	I318 Y331 V332 S333 L500 C502	V298-I318 HydrophobicContact CG2-CD1 3.39Å; V298-Y331 PolarHBondContact N-O 3.06Å; V298-V332 HydrophobicContact CB-CG2 4.39Å; V298-V332 CarbonylContact O-C 3.56Å; V298-V332 WeakPolarHBondContact O-CA 3.06Å; V298-S333 PolarHBondContact O-N 3.32Å; V298-L500 WeakPolarHBondContact CA-O 3.15Å; V298-C502 HydrophobicContact CG1-CB 4.16Å
299	S	91.7	Very high	88.7	Confident	14 Å²	14	31.2 Å²	31.2	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.4	177.4	60.8	0	0	0	0	111.6	L500 C502	S299-L500 PolarHBondContact N-O 2.99Å; S299-C502 PolarHBondContact O-N 3.17Å
300	T	87.8	Confident	88.9	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.3	172.5	161.7	0	0	0	0	110.1	E306 V332 S333 D335 L341	T300-E306 PolarHBondContact OG1-OE2 3.2Å; T300-V332 HydrophobicContact CG2-CG1 4.13Å; T300-S333 WeakPolarHBondContact CG2-O 3.45Å; T300-S333 PolarHBondContact N-O 2.76Å; T300-S333 VanDerWaalsContact N-O 3.08Å; T300-D335 PolarHBondContact O-N 3.48Å; T300-L341 HydrophobicContact CG2-CD1 4.46Å; T300-L341 HydrophobicContact CG2-CD2 3.33Å
301	V	77	Confident	89.2	Confident	64 Å²	64	25.6 Å²	25.6	39%	0.388	14%	0.14	S	C	.	.	S	Bend	trans	-100.1	-47.8	-178.3	178.5	0	0	0	0	111.4	E306 G336 V924	V301-E306 PolarHBondContact N-OE2 2.74Å; V301-G336 PolarHBondContact O-N 3.1Å; V301-V924 HydrophobicContact CG1-CG2 4.13Å
302	D	75.3	Confident	89.3	Confident	43 Å²	43	25.4 Å²	25.4	23%	0.23	14%	0.14	C	C	.	.			trans	-153.1	111	-174	-177.9	-4	0	0	0	110.2	L304 K305 E306	D302-L304 PolarHBondContact O-N 3.46Å; D302-L304 VanDerWaalsContact O-N 3.12Å; D302-L304 WeakPolarHBondContact OD1-CB 3.46Å; D302-L304 PolarHBondContact OD1-N 3.17Å; D302-K305 HydrophobicContact CB-CB 4.38Å; D302-K305 HydrophobicContact CB-CD 4.29Å; D302-K305 HydrophobicContact CB-CG 4.32Å; D302-K305 PolarHBondContact O-N 3.41Å; D302-K305 VanDerWaalsContact OD2-CE 3.32Å; D302-K305 WeakPolarHBondContact OD2-CE 3.31Å; D302-K305 IonicContact OD2-NZ 3.79Å; D302-E306 PolarHBondContact O-N 3.18Å; D302-E306 VanDerWaalsContact O-N 3.1Å
303	P	78	Confident	89.4	Confident	2 Å²	2	25 Å²	25	1%	0.013	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.9	-178.8	29.5	-35.6	0	0	0	113.9	E306 P308 S338 L340 L341	P303-E306 CarbonylContact C-O 3.39Å; P303-E306 WeakPolarHBondContact CA-O 3.49Å; P303-P308 HydrophobicContact CB-CG 4.26Å; P303-P308 WeakPolarHBondContact O-CD 3.17Å; P303-S338 WeakPolarHBondContact CG-OG 3.11Å; P303-L340 HydrophobicContact CB-CD2 4.01Å; P303-L340 HydrophobicContact CB-CG 4.3Å; P303-L340 HydrophobicContact CG-CB 4.35Å; P303-L340 HydrophobicContact CG-CD2 4.21Å; P303-L340 HydrophobicContact CG-CG 4.47Å; P303-L341 HydrophobicContact CB-CB 4.37Å; P303-L341 HydrophobicContact CG-CB 4.33Å
304	L	73.3	Confident	89.4	Confident	111 Å²	111	23 Å²	23	58%	0.581	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.6	171.7	-65.8	175.2	0	0	0	112.7	D302 L340	D302-L304 PolarHBondContact O-N 3.46Å; D302-L304 VanDerWaalsContact O-N 3.12Å; D302-L304 WeakPolarHBondContact OD1-CB 3.46Å; D302-L304 PolarHBondContact OD1-N 3.17Å; L304-L340 HydrophobicContact CD2-CD2 4.04Å
305	K	73	Confident	89.4	Confident	89 Å²	89	23 Å²	23	39%	0.387	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-26	177.1	-64.8	179.8	-170.6	169.6	0	112.6	D302 V924	D302-K305 HydrophobicContact CB-CB 4.38Å; D302-K305 HydrophobicContact CB-CD 4.29Å; D302-K305 HydrophobicContact CB-CG 4.32Å; D302-K305 PolarHBondContact O-N 3.41Å; D302-K305 VanDerWaalsContact OD2-CE 3.32Å; D302-K305 WeakPolarHBondContact OD2-CE 3.31Å; D302-K305 IonicContact OD2-NZ 3.79Å; K305-V924 HydrophobicContact CB-CG1 4.35Å; K305-V924 HydrophobicContact CD-CB 3.72Å; K305-V924 HydrophobicContact CD-CG1 3.81Å; K305-V924 HydrophobicContact CD-CG2 4.42Å
306	E	80.1	Confident	89.4	Confident	34 Å²	34	22.9 Å²	22.9	16%	0.159	12%	0.122	C	C	.	.	S	Bend	trans	-113.7	105.8	177.3	-67.3	167.7	175	0	0	107.1	T300 V301 D302 P303 C502	T300-E306 PolarHBondContact OG1-OE2 3.2Å; V301-E306 PolarHBondContact N-OE2 2.74Å; D302-E306 PolarHBondContact O-N 3.18Å; D302-E306 VanDerWaalsContact O-N 3.1Å; P303-E306 CarbonylContact C-O 3.39Å; P303-E306 WeakPolarHBondContact CA-O 3.49Å; E306-C502 PolarHBondContact OE2-SG 2.78Å
307	P	86.1	Confident	89.4	Confident	42 Å²	42	22.9 Å²	22.9	27%	0.273	12%	0.122	S	C	.	.			trans	-51.1	127.1	-174.7	-28	32.6	0	0	0	112.1	I309 I310 T311	P307-I309 HydrophobicContact CB-CG2 4.1Å; P307-I309 PolarHBondContact O-N 3.39Å; P307-I309 VanDerWaalsContact O-N 3.09Å; P307-I310 HydrophobicContact CB-CD1 4.01Å; P307-I310 HydrophobicContact CB-CG1 4.07Å; P307-I310 HydrophobicContact CG-CD1 3.81Å; P307-I310 HydrophobicContact CG-CG1 4.43Å; P307-I310 WeakPolarHBondContact O-CB 3.46Å; P307-I310 PolarHBondContact O-N 3.36Å; P307-T311 PolarHBondContact O-N 3.13Å
308	P	92.9	Very high	89.4	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.032	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-28.7	-175.1	-27	36	0	0	0	113.6	P303 I310 T311 A312 L340 T344 I406 V410	P303-P308 HydrophobicContact CB-CG 4.26Å; P303-P308 WeakPolarHBondContact O-CD 3.17Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 3.36Å; P308-T311 PolarHBondContact O-N 3.33Å; P308-A312 WeakPolarHBondContact O-CB 3.03Å; P308-A312 PolarHBondContact O-N 3.48Å; P308-L340 HydrophobicContact CG-CD1 4.24Å; P308-L340 HydrophobicContact CG-CD2 3.77Å; P308-L340 HydrophobicContact CG-CG 3.96Å; P308-T344 HydrophobicContact CB-CG2 3.84Å; P308-I406 HydrophobicContact CB-CG2 4.1Å; P308-V410 HydrophobicContact CB-CG2 4.49Å; P308-V410 HydrophobicContact CG-CG2 3.74Å
309	I	94.9	Very high	89.5	Confident	26 Å²	26	23 Å²	23	13%	0.133	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-33.3	174.9	-171.2	56.7	0	0	0	112.8	P307 A312 N313 F402 K403 I406	P307-I309 HydrophobicContact CB-CG2 4.1Å; P307-I309 PolarHBondContact O-N 3.39Å; P307-I309 VanDerWaalsContact O-N 3.09Å; I309-A312 PolarHBondContact O-N 3.01Å; I309-N313 PolarHBondContact O-N 2.8Å; I309-N313 PolarHBondContact O-ND2 2.7Å; I309-F402 HydrophobicContact CD1-CD1 4.18Å; I309-F402 HydrophobicContact CD1-CE1 3.74Å; I309-K403 HydrophobicContact CD1-CG 3.9Å; I309-K403 HydrophobicContact CG1-CG 4.28Å; I309-I406 HydrophobicContact CB-CG2 4.16Å; I309-I406 HydrophobicContact CD1-CG1 4.43Å
310	I	93.2	Very high	89.7	Confident	42 Å²	42	22.3 Å²	22.3	22%	0.215	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-47.8	176.5	-64.9	178.3	0	0	0	109.1	P307 P308 A312 N313 T314 D503	P307-I310 HydrophobicContact CB-CD1 4.01Å; P307-I310 HydrophobicContact CB-CG1 4.07Å; P307-I310 HydrophobicContact CG-CD1 3.81Å; P307-I310 HydrophobicContact CG-CG1 4.43Å; P307-I310 WeakPolarHBondContact O-CB 3.46Å; P307-I310 PolarHBondContact O-N 3.36Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 3.36Å; I310-A312 VanDerWaalsContact C-N 3.3Å; I310-A312 PolarHBondContact O-N 2.81Å; I310-N313 PolarHBondContact O-N 2.76Å; I310-T314 PolarHBondContact O-N 3.42Å; I310-T314 PolarHBondContact O-OG1 3.26Å; I310-D503 HydrophobicContact CG2-CB 3.97Å
311	T	94.4	Very high	90.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-57.6	-43.6	175.3	-54.4	0	0	0	0	111.5	P307 P308 T314 I315 L341 C502	P307-T311 PolarHBondContact O-N 3.13Å; P308-T311 PolarHBondContact O-N 3.33Å; T311-T314 WeakPolarHBondContact O-CB 3.43Å; T311-T314 PolarHBondContact O-N 2.74Å; T311-I315 HydrophobicContact CG2-CD1 3.95Å; T311-I315 VanDerWaalsContact O-CG1 3.32Å; T311-I315 WeakPolarHBondContact O-CG1 3.45Å; T311-I315 PolarHBondContact O-N 3.38Å; T311-L341 HydrophobicContact CG2-CD1 4.05Å; T311-C502 HydrophobicContact CG2-CB 4.18Å
312	A	96.9	Very high	91	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-45.5	176.3	0	0	0	0	0	112.4	P308 I309 I310 T314 I315 L316 T344 T348 F402	P308-A312 WeakPolarHBondContact O-CB 3.03Å; P308-A312 PolarHBondContact O-N 3.48Å; I309-A312 PolarHBondContact O-N 3.01Å; I310-A312 VanDerWaalsContact C-N 3.3Å; I310-A312 PolarHBondContact O-N 2.81Å; A312-T314 VanDerWaalsContact C-N 3.34Å; A312-T314 PolarHBondContact O-N 3.44Å; A312-I315 PolarHBondContact O-N 3.27Å; A312-L316 WeakPolarHBondContact O-CB 3.21Å; A312-L316 VanDerWaalsContact O-CG 3.23Å; A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 2.78Å; A312-T344 HydrophobicContact CB-CG2 4.34Å; A312-T348 HydrophobicContact CB-CG2 4.19Å; A312-T348 VanDerWaalsContact CB-OG1 3.31Å; A312-T348 WeakPolarHBondContact CB-OG1 3.4Å; A312-F402 HydrophobicContact CB-CE1 4.14Å; A312-F402 HydrophobicContact CB-CZ 3.84Å
313	N	97.1	Very high	92	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-40.8	176.1	-85	-77.1	0	0	0	112.5	I309 I310 L316 S317 P369 E370 Y399	I309-N313 PolarHBondContact O-N 2.8Å; I309-N313 PolarHBondContact O-ND2 2.7Å; I310-N313 PolarHBondContact O-N 2.76Å; N313-L316 PolarHBondContact O-N 2.84Å; N313-S317 PolarHBondContact O-N 3.09Å; N313-P369 WeakPolarHBondContact OD1-CD 3.31Å; N313-E370 WeakPolarHBondContact OD1-CB 3.42Å; N313-E370 PolarHBondContact OD1-N 3.46Å; N313-Y399 PolarHBondContact ND2-OH 2.6Å; N313-Y399 PolarHBondContact OD1-OH 2.8Å
314	T	96.9	Very high	92.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-59.1	-48.4	174.3	-65.4	0	0	0	0	110.6	I310 T311 A312 S317 I318 C502 H504	I310-T314 PolarHBondContact O-N 3.42Å; I310-T314 PolarHBondContact O-OG1 3.26Å; T311-T314 WeakPolarHBondContact O-CB 3.43Å; T311-T314 PolarHBondContact O-N 2.74Å; A312-T314 VanDerWaalsContact C-N 3.34Å; A312-T314 PolarHBondContact O-N 3.44Å; T314-S317 PolarHBondContact O-N 2.94Å; T314-S317 PolarHBondContact O-OG 3.49Å; T314-I318 HydrophobicContact CG2-CD1 4.05Å; T314-I318 WeakPolarHBondContact O-CG1 3.38Å; T314-I318 PolarHBondContact O-N 3.28Å; T314-I318 VanDerWaalsContact O-N 3.13Å; T314-C502 VanDerWaalsContact CB-O 3.32Å; T314-C502 WeakPolarHBondContact CB-O 3.22Å; T314-C502 PolarHBondContact OG1-O 3.27Å; T314-H504 VanDerWaalsContact CG2-O 3.28Å; T314-H504 WeakPolarHBondContact CG2-O 3.45Å
315	I	97.9	Very high	93.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-43.6	179.4	-66	164	0	0	0	111.6	T311 A312 S317 I318 L319 V332 L345 T348 L461	T311-I315 HydrophobicContact CG2-CD1 3.95Å; T311-I315 VanDerWaalsContact O-CG1 3.32Å; T311-I315 WeakPolarHBondContact O-CG1 3.45Å; T311-I315 PolarHBondContact O-N 3.38Å; A312-I315 PolarHBondContact O-N 3.27Å; I315-S317 VanDerWaalsContact C-N 3.25Å; I315-S317 PolarHBondContact O-N 2.92Å; I315-I318 WeakPolarHBondContact O-CA 3.24Å; I315-I318 WeakPolarHBondContact O-CB 3.31Å; I315-I318 PolarHBondContact O-N 3.43Å; I315-L319 HydrophobicContact CG2-CD1 3.93Å; I315-L319 HydrophobicContact CG2-CG 4.14Å; I315-L319 WeakPolarHBondContact O-CG 3.34Å; I315-L319 PolarHBondContact O-N 3.19Å; I315-V332 HydrophobicContact CD1-CG1 4.45Å; I315-V332 HydrophobicContact CD1-CG2 3.65Å; I315-V332 HydrophobicContact CG1-CG2 4.09Å; I315-L345 HydrophobicContact CD1-CD2 3.16Å; I315-T348 HydrophobicContact CB-CG2 4.29Å; I315-T348 HydrophobicContact CG2-CG2 4.06Å; I315-L461 HydrophobicContact CG2-CD1 3.79Å; I315-L461 HydrophobicContact CG2-CD2 4.27Å
316	L	98.4	Very high	94.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.1	-38.5	176.3	-71.3	166	0	0	0	111.6	A312 N313 I318 A320 T348 F351 A352 W355 P369 F402	A312-L316 WeakPolarHBondContact O-CB 3.21Å; A312-L316 VanDerWaalsContact O-CG 3.23Å; A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 2.78Å; N313-L316 PolarHBondContact O-N 2.84Å; L316-I318 VanDerWaalsContact C-N 3.32Å; L316-I318 PolarHBondContact O-N 2.94Å; L316-A320 WeakPolarHBondContact O-CB 3.36Å; L316-A320 PolarHBondContact O-N 3.36Å; L316-T348 HydrophobicContact CD1-CG2 4.42Å; L316-T348 HydrophobicContact CD2-CG2 4Å; L316-T348 HydrophobicContact CG-CG2 3.83Å; L316-F351 HydrophobicContact CD1-CD1 3.62Å; L316-F351 HydrophobicContact CD1-CE1 3.9Å; L316-F351 HydrophobicContact CD2-CD1 3.8Å; L316-F351 HydrophobicContact CD2-CE1 4.46Å; L316-F351 HydrophobicContact CG-CD1 4.38Å; L316-A352 HydrophobicContact CD2-CB 3.81Å; L316-W355 HydrophobicContact CD2-CB 4.39Å; L316-W355 HydrophobicContact CD2-CG 4.43Å; L316-P369 HydrophobicContact CB-CG 4.33Å; L316-P369 HydrophobicContact CD1-CG 3.74Å; L316-F402 HydrophobicContact CD1-CE1 4.22Å
317	S	97.9	Very high	95.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.1	-32.9	174.8	80.4	0	0	0	0	113.2	N313 T314 I315 V321 R367 I506	N313-S317 PolarHBondContact O-N 3.09Å; T314-S317 PolarHBondContact O-N 2.94Å; T314-S317 PolarHBondContact O-OG 3.49Å; I315-S317 VanDerWaalsContact C-N 3.25Å; I315-S317 PolarHBondContact O-N 2.92Å; S317-V321 PolarHBondContact O-N 2.75Å; S317-R367 WeakPolarHBondContact CA-O 3.49Å; S317-I506 PolarHBondContact OG-N 3.22Å
318	I	98.2	Very high	95.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-72.4	-49.4	176.8	-65	161.7	0	0	0	110.6	V296 V298 T314 I315 L316 A320 V321 C330 L500 I506	V296-I318 HydrophobicContact CB-CG2 3.89Å; V296-I318 HydrophobicContact CG1-CD1 3.78Å; V296-I318 HydrophobicContact CG1-CG1 4.07Å; V296-I318 HydrophobicContact CG1-CG2 3.83Å; V296-I318 HydrophobicContact CG2-CG2 3.95Å; V298-I318 HydrophobicContact CG2-CD1 3.39Å; T314-I318 HydrophobicContact CG2-CD1 4.05Å; T314-I318 WeakPolarHBondContact O-CG1 3.38Å; T314-I318 PolarHBondContact O-N 3.28Å; T314-I318 VanDerWaalsContact O-N 3.13Å; I315-I318 WeakPolarHBondContact O-CA 3.24Å; I315-I318 WeakPolarHBondContact O-CB 3.31Å; I315-I318 PolarHBondContact O-N 3.43Å; L316-I318 VanDerWaalsContact C-N 3.32Å; L316-I318 PolarHBondContact O-N 2.94Å; I318-A320 PolarHBondContact O-N 3.33Å; I318-V321 VanDerWaalsContact O-CB 3.31Å; I318-V321 WeakPolarHBondContact O-CB 3.39Å; I318-V321 VanDerWaalsContact O-CG1 3.25Å; I318-V321 WeakPolarHBondContact O-CG1 3.32Å; I318-V321 PolarHBondContact O-N 2.78Å; I318-V321 VanDerWaalsContact O-N 3.1Å; I318-C330 HydrophobicContact CG2-CB 3.94Å; I318-L500 HydrophobicContact CD1-CD1 3.84Å; I318-L500 HydrophobicContact CG1-CD1 3.99Å; I318-I506 HydrophobicContact CB-CD1 4.42Å; I318-I506 HydrophobicContact CG1-CD1 3.92Å; I318-I506 HydrophobicContact CG1-CG1 4.08Å
319	L	97.5	Very high	95.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-27	179.3	-63.4	178.4	0	0	0	112.2	I315 C330 A352 V356 L445 P459 L461	I315-L319 HydrophobicContact CG2-CD1 3.93Å; I315-L319 HydrophobicContact CG2-CG 4.14Å; I315-L319 WeakPolarHBondContact O-CG 3.34Å; I315-L319 PolarHBondContact O-N 3.19Å; L319-C330 HydrophobicContact CD2-CB 4.34Å; L319-A352 HydrophobicContact CD1-CB 3.77Å; L319-V356 HydrophobicContact CB-CG2 3.98Å; L319-L445 HydrophobicContact CD1-CD1 4Å; L319-P459 HydrophobicContact CD2-CB 3.95Å; L319-P459 WeakPolarHBondContact O-CG 3.35Å; L319-L461 HydrophobicContact CD1-CD2 4.41Å; L319-L461 HydrophobicContact CD2-CB 4.36Å
320	A	97.1	Very high	96	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.9	176.9	0	0	0	0	0	113.4	L316 I318 V356 C359 R367	L316-A320 WeakPolarHBondContact O-CB 3.36Å; L316-A320 PolarHBondContact O-N 3.36Å; I318-A320 PolarHBondContact O-N 3.33Å; A320-V356 HydrophobicContact CB-CG2 4.16Å; A320-C359 HydrophobicContact CB-CB 4.1Å; A320-R367 HydrophobicContact CB-CB 3.91Å; A320-R367 HydrophobicContact CB-CG 4.47Å; A320-R367 WeakPolarHBondContact O-CD 3.46Å; A320-R367 PolarHBondContact O-NE 2.91Å; A320-R367 PolarHBondContact O-NH1 3.48Å
321	V	96.7	Very high	96.2	Very high	5 Å²	5	12 Å²	12	3%	0.03	7%	0.066	C	C	.	.			trans	-58.3	152.7	-176.3	73.9	0	0	0	0	113.6	S317 I318 Y323 V328 I506 S509 I512	S317-V321 PolarHBondContact O-N 2.75Å; I318-V321 VanDerWaalsContact O-CB 3.31Å; I318-V321 WeakPolarHBondContact O-CB 3.39Å; I318-V321 VanDerWaalsContact O-CG1 3.25Å; I318-V321 WeakPolarHBondContact O-CG1 3.32Å; I318-V321 PolarHBondContact O-N 2.78Å; I318-V321 VanDerWaalsContact O-N 3.1Å; V321-Y323 VanDerWaalsContact C-N 3.29Å; V321-Y323 PolarHBondContact O-N 3.38Å; V321-V328 HydrophobicContact CG1-CG1 4.22Å; V321-V328 HydrophobicContact CG1-CG2 3.89Å; V321-I506 HydrophobicContact CB-CD1 4.43Å; V321-I506 HydrophobicContact CG2-CD1 4.13Å; V321-S509 WeakPolarHBondContact CG2-O 3.26Å; V321-I512 HydrophobicContact CB-CD1 4.49Å; V321-I512 HydrophobicContact CG1-CD1 4.08Å; V321-I512 HydrophobicContact CG2-CD1 3.82Å; V321-I512 HydrophobicContact CG2-CG1 4.07Å
322	D	95	Very high	96.4	Very high	30 Å²	30	12 Å²	12	16%	0.16	7%	0.066	C	C	.	.	S	Bend	trans	-80.9	76.5	175.2	-176.5	5.7	0	0	0	110.4	S509 K510 R513	D322-S509 PolarHBondContact N-O 3.29Å; D322-K510 HydrophobicContact CB-CG 4.34Å; D322-R513 PolarHBondContact O-NE 2.83Å; D322-R513 IonicContact OD1-CZ 3.71Å; D322-R513 IonicContact OD1-NE 3.67Å; D322-R513 PolarHBondContact OD1-NE 3.29Å; D322-R513 IonicContact OD1-NH2 3.23Å; D322-R513 PolarHBondContact OD1-NH2 3.4Å; D322-R513 IonicContact OD2-NE 3.75Å
323	Y	95.8	Very high	96.3	Very high	13 Å²	13	12.1 Å²	12.1	5%	0.051	7%	0.066	C	C	.	.	S	Bend	trans	-153.5	158.1	179	-150.4	-106.6	0	0	0	110.2	L291 A292 V294 V321 V325 K327 V328 I512 R513 M516	L291-Y323 HydrophobicContact CB-CE1 4.49Å; L291-Y323 HydrophobicContact CB-CE2 4.31Å; L291-Y323 WeakPolarHBondContact CB-OH 3.23Å; L291-Y323 HydrophobicContact CD1-CD2 4.22Å; L291-Y323 HydrophobicContact CD1-CE2 3.71Å; L291-Y323 HydrophobicContact CG-CE2 4.47Å; A292-Y323 WeakPolarHBondContact O-CE1 3.26Å; A292-Y323 PolarHBondContact O-OH 3.38Å; V294-Y323 HydrophobicContact CG2-CE1 4.28Å; V321-Y323 VanDerWaalsContact C-N 3.29Å; V321-Y323 PolarHBondContact O-N 3.38Å; Y323-V325 PolarHBondContact O-N 3.18Å; Y323-K327 HydrophobicContact CD1-CB 4.02Å; Y323-K327 HydrophobicContact CE1-CB 3.8Å; Y323-V328 HydrophobicContact CD1-CG2 3.46Å; Y323-V328 VanDerWaalsContact CD1-CG2 3.46Å; Y323-V328 HydrophobicContact CE1-CG2 4.45Å; Y323-V328 HydrophobicContact CG-CG2 3.97Å; Y323-I512 HydrophobicContact CD2-CB 4.2Å; Y323-I512 HydrophobicContact CD2-CG2 3.77Å; Y323-I512 HydrophobicContact CE1-CG2 4.44Å; Y323-I512 HydrophobicContact CE2-CB 4.47Å; Y323-I512 HydrophobicContact CE2-CG2 3.64Å; Y323-I512 HydrophobicContact CG-CG2 4.22Å; Y323-R513 HydrophobicContact CD2-CG 4.02Å; Y323-R513 HydrophobicContact CE2-CG 4.35Å; Y323-M516 HydrophobicContact CE2-CG 4.14Å
324	P	94	Very high	96.1	Very high	22 Å²	22	11.9 Å²	11.9	14%	0.143	7%	0.065	C	C	.	.			trans	-57.3	129	175.8	-26.7	35.1	0	0	0	112.5	N289 L291 N326 K327	N289-P324 HydrophobicContact CB-CG 4.39Å; N289-P324 WeakPolarHBondContact ND2-CG 3.32Å; L291-P324 HydrophobicContact CD1-CG 4.32Å; P324-N326 VanDerWaalsContact C-N 3.33Å; P324-N326 PolarHBondContact O-N 2.97Å; P324-K327 HydrophobicContact CB-CB 4.18Å; P324-K327 HydrophobicContact CB-CD 4.05Å; P324-K327 HydrophobicContact CB-CG 4.12Å; P324-K327 HydrophobicContact CG-CD 4.26Å; P324-K327 WeakPolarHBondContact O-CB 3.05Å; P324-K327 PolarHBondContact O-N 2.78Å
325	V	92.6	Very high	95.6	Very high	30 Å²	30	12.3 Å²	12.3	18%	0.182	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-54.9	-46.8	-173.9	173.7	0	0	0	0	112.2	Y323 K327 V328 E457 P459	Y323-V325 PolarHBondContact O-N 3.18Å; V325-K327 PolarHBondContact O-N 3.46Å; V325-K327 VanDerWaalsContact O-N 3.08Å; V325-V328 PolarHBondContact O-N 2.99Å; V325-E457 HydrophobicContact CG1-CB 4.16Å; V325-E457 HydrophobicContact CG1-CG 4.23Å; V325-E457 WeakPolarHBondContact CG1-O 3.36Å; V325-P459 HydrophobicContact CG1-CG 4.17Å
326	N	91.1	Very high	95	Very high	109 Å²	109	13 Å²	13	58%	0.583	8%	0.075	S	C	*	.	G	3₁₀ helix	trans	-71.2	-0.5	-178.7	66.7	-39.2	0	0	0	114.1	P324	P324-N326 VanDerWaalsContact C-N 3.33Å; P324-N326 PolarHBondContact O-N 2.97Å
327	K	94.5	Very high	94.7	Very high	24 Å²	24	13 Å²	13	10%	0.104	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-118	1.7	-177.4	-65.9	-170.4	-176.9	178.4	0	113.7	N289 L291 P293 V294 Y323 P324 V325	N289-K327 PolarHBondContact O-NZ 3.09Å; N289-K327 PolarHBondContact OD1-NZ 3Å; L291-K327 HydrophobicContact CB-CD 4.45Å; L291-K327 VanDerWaalsContact N-NZ 3.2Å; L291-K327 VanDerWaalsContact O-CD 3.23Å; L291-K327 WeakPolarHBondContact O-CD 3.1Å; L291-K327 VanDerWaalsContact O-CE 3.28Å; L291-K327 WeakPolarHBondContact O-CE 3.45Å; L291-K327 PolarHBondContact O-NZ 3.47Å; P293-K327 CarbonylContact C-O 3.52Å; P293-K327 WeakPolarHBondContact CA-O 3.45Å; P293-K327 HydrophobicContact CB-CB 4.31Å; V294-K327 PolarHBondContact N-O 3.21Å; Y323-K327 HydrophobicContact CD1-CB 4.02Å; Y323-K327 HydrophobicContact CE1-CB 3.8Å; P324-K327 HydrophobicContact CB-CB 4.18Å; P324-K327 HydrophobicContact CB-CD 4.05Å; P324-K327 HydrophobicContact CB-CG 4.12Å; P324-K327 HydrophobicContact CG-CD 4.26Å; P324-K327 WeakPolarHBondContact O-CB 3.05Å; P324-K327 PolarHBondContact O-N 2.78Å; V325-K327 PolarHBondContact O-N 3.46Å; V325-K327 VanDerWaalsContact O-N 3.08Å
328	V	96.3	Very high	94.3	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.7	173.5	-176.3	0	0	0	0	108.7	V294 V296 V321 Y323 V325 P459 R460	V294-V328 WeakPolarHBondContact O-CA 3.47Å; V296-V328 HydrophobicContact CG2-CG1 4.1Å; V321-V328 HydrophobicContact CG1-CG1 4.22Å; V321-V328 HydrophobicContact CG1-CG2 3.89Å; Y323-V328 HydrophobicContact CD1-CG2 3.46Å; Y323-V328 VanDerWaalsContact CD1-CG2 3.46Å; Y323-V328 HydrophobicContact CE1-CG2 4.45Å; Y323-V328 HydrophobicContact CG-CG2 3.97Å; V325-V328 PolarHBondContact O-N 2.99Å; V328-P459 HydrophobicContact CB-CB 4.18Å; V328-P459 HydrophobicContact CG1-CB 4.42Å; V328-R460 PolarHBondContact O-N 3.01Å
329	S	96.7	Very high	94	Very high	11 Å²	11	15.3 Å²	15.3	8%	0.077	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	120.2	174.5	-67.2	0	0	0	0	109.8	V294 D295 V296 R460 T492	V294-S329 PolarHBondContact O-N 3.15Å; D295-S329 CarbonylContact C-O 3.55Å; D295-S329 WeakPolarHBondContact CA-O 3.26Å; V296-S329 PolarHBondContact N-O 3.27Å; S329-R460 CarbonylContact C-O 3.32Å; S329-T492 WeakPolarHBondContact OG-CG2 3.48Å
330	C	98	Very high	93.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.4	-179.7	-174.4	0	0	0	0	110.3	V296 I318 L319 R460 L461 V462	V296-C330 CarbonylContact O-C 3.05Å; V296-C330 WeakPolarHBondContact O-CA 3.28Å; I318-C330 HydrophobicContact CG2-CB 3.94Å; L319-C330 HydrophobicContact CD2-CB 4.34Å; C330-R460 PolarHBondContact N-O 3.37Å; C330-L461 HydrophobicContact CB-CD1 4.04Å; C330-L461 CarbonylContact O-C 3.58Å; C330-L461 WeakPolarHBondContact O-CA 3.44Å; C330-V462 PolarHBondContact O-N 2.96Å
331	Y	98.1	Very high	93.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.2	175	-62.8	-97.7	0	0	0	108.9	D295 V296 F297 V298 V462 V464 V487 L491 T492	D295-Y331 HydrophobicContact CB-CD2 4.18Å; D295-Y331 HydrophobicContact CB-CE2 3.94Å; V296-Y331 PolarHBondContact O-N 3.07Å; F297-Y331 WeakPolarHBondContact CA-O 3.29Å; F297-Y331 HydrophobicContact CD1-CD2 4.03Å; F297-Y331 HydrophobicContact CD1-CG 4.26Å; F297-Y331 AromaticContact CE1-CD2 3.81Å; F297-Y331 HydrophobicContact CE1-CD2 3.81Å; F297-Y331 HydrophobicContact CE1-CE2 4.47Å; F297-Y331 HydrophobicContact CE1-CG 4.17Å; V298-Y331 PolarHBondContact N-O 3.06Å; Y331-V462 CarbonylContact C-O 3.51Å; Y331-V462 WeakPolarHBondContact CA-O 3.5Å; Y331-V462 HydrophobicContact CD1-CB 3.64Å; Y331-V462 HydrophobicContact CD1-CG1 3.95Å; Y331-V462 HydrophobicContact CD1-CG2 3.99Å; Y331-V462 HydrophobicContact CE1-CB 3.89Å; Y331-V462 HydrophobicContact CE1-CG1 4.1Å; Y331-V462 HydrophobicContact CE1-CG2 3.74Å; Y331-V462 HydrophobicContact CG-CB 4.34Å; Y331-V464 HydrophobicContact CD1-CG2 4.14Å; Y331-V487 HydrophobicContact CD1-CG1 4.23Å; Y331-V487 HydrophobicContact CE1-CG1 4Å; Y331-L491 HydrophobicContact CE1-CB 4.49Å; Y331-L491 HydrophobicContact CE1-CD1 4.14Å; Y331-L491 WeakPolarHBondContact OH-CB 3.46Å; Y331-T492 WeakPolarHBondContact OH-CG2 3.12Å; Y331-T492 PolarHBondContact OH-OG1 3.01Å
332	V	97.1	Very high	93.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.4	179.2	-174.1	0	0	0	0	108	V298 T300 I315 L341 L345 L461 V462 V464	V298-V332 HydrophobicContact CB-CG2 4.39Å; V298-V332 CarbonylContact O-C 3.56Å; V298-V332 WeakPolarHBondContact O-CA 3.06Å; T300-V332 HydrophobicContact CG2-CG1 4.13Å; I315-V332 HydrophobicContact CD1-CG1 4.45Å; I315-V332 HydrophobicContact CD1-CG2 3.65Å; I315-V332 HydrophobicContact CG1-CG2 4.09Å; V332-L341 HydrophobicContact CG1-CD2 4.28Å; V332-L345 HydrophobicContact CB-CD1 4.03Å; V332-L345 HydrophobicContact CG1-CD1 4.14Å; V332-L345 HydrophobicContact CG1-CD2 4.4Å; V332-L345 HydrophobicContact CG2-CD1 4.33Å; V332-L345 HydrophobicContact CG2-CD2 4.09Å; V332-L461 HydrophobicContact CG2-CD1 3.99Å; V332-V462 PolarHBondContact N-O 3.06Å; V332-V464 PolarHBondContact O-N 3.32Å
333	S	95.2	Very high	93.5	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116.6	176.8	178.1	0	0	0	0	110.6	V298 T300 V464 M484	V298-S333 PolarHBondContact O-N 3.32Å; T300-S333 WeakPolarHBondContact CG2-O 3.45Å; T300-S333 PolarHBondContact N-O 2.76Å; T300-S333 VanDerWaalsContact N-O 3.08Å; S333-V464 CarbonylContact C-O 3.55Å; S333-V464 VanDerWaalsContact CA-O 3.29Å; S333-V464 WeakPolarHBondContact CA-O 3.48Å; S333-M484 VanDerWaalsContact CB-SD 3.52Å
334	D	93.2	Very high	93.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	97.1	170.9	-167.7	-1.4	0	0	0	111.1	G336 A337 S338 L341 Y463 V464	D334-G336 PolarHBondContact O-N 3.29Å; D334-G336 WeakPolarHBondContact OD1-CA 3.48Å; D334-G336 PolarHBondContact OD1-N 3.34Å; D334-A337 PolarHBondContact OD1-N 3.12Å; D334-A337 VanDerWaalsContact OD1-N 3.16Å; D334-S338 PolarHBondContact OD2-N 2.96Å; D334-L341 HydrophobicContact CB-CD2 3.6Å; D334-L341 VanDerWaalsContact CG-CD2 3.49Å; D334-Y463 HydrophobicContact CB-CD2 4.21Å; D334-Y463 HydrophobicContact CB-CE2 3.35Å; D334-Y463 WeakPolarHBondContact OD2-CE2 3.37Å; D334-Y463 PolarHBondContact OD2-OH 3.5Å; D334-Y463 VanDerWaalsContact OD2-OH 3.12Å; D334-V464 PolarHBondContact N-O 3.01Å
335	D	86.4	Confident	93.6	Very high	11 Å²	11	16.3 Å²	16.3	6%	0.059	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.5	171.8	-105	17.8	0	0	0	112.2	T300 R466 K468	T300-D335 PolarHBondContact O-N 3.48Å; D335-R466 VanDerWaalsContact CG-NH2 3.29Å; D335-R466 IonicContact OD1-CZ 3.32Å; D335-R466 VanDerWaalsContact OD1-CZ 3.26Å; D335-R466 IonicContact OD1-NE 2.63Å; D335-R466 PolarHBondContact OD1-NE 3Å; D335-R466 IonicContact OD1-NH2 2.78Å; D335-R466 PolarHBondContact OD1-NH2 3.34Å; D335-R466 IonicContact OD2-CZ 3.3Å; D335-R466 IonicContact OD2-NE 3.03Å; D335-R466 IonicContact OD2-NH2 3.89Å; D335-R466 PolarHBondContact OD2-NH2 3.03Å; D335-K468 WeakPolarHBondContact O-CE 3.11Å; D335-K468 PolarHBondContact O-NZ 3.4Å
336	G	85.7	Confident	93.7	Very high	15 Å²	15	17.3 Å²	17.3	16%	0.155	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.5	178.4	0	0	0	0	0	114	V301 D334 S338 T434	V301-G336 PolarHBondContact O-N 3.1Å; D334-G336 PolarHBondContact O-N 3.29Å; D334-G336 WeakPolarHBondContact OD1-CA 3.48Å; D334-G336 PolarHBondContact OD1-N 3.34Å; G336-S338 PolarHBondContact O-N 3.45Å; G336-T434 WeakPolarHBondContact O-CG2 3.23Å
337	A	91	Very high	94	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.			trans	47.2	41.6	-170.3	0	0	0	0	0	112.3	D334 W429 G431 H437 M440	D334-A337 PolarHBondContact OD1-N 3.12Å; D334-A337 VanDerWaalsContact OD1-N 3.16Å; A337-W429 PolarHBondContact O-NE1 3.39Å; A337-G431 WeakPolarHBondContact O-CA 3.46Å; A337-H437 WeakPolarHBondContact CB-NE2 3.1Å; A337-M440 HydrophobicContact CB-CE 3.78Å
338	S	90.6	Very high	94.1	Very high	30 Å²	30	13.7 Å²	13.7	21%	0.21	8%	0.08	C	C	.	.			trans	-89.2	126.7	-168.7	-176.5	0	0	0	0	111.4	P303 D334 G336 L340 L341 F342	P303-S338 WeakPolarHBondContact CG-OG 3.11Å; D334-S338 PolarHBondContact OD2-N 2.96Å; G336-S338 PolarHBondContact O-N 3.45Å; S338-L340 PolarHBondContact O-N 3.2Å; S338-L340 WeakPolarHBondContact OG-CB 3.25Å; S338-L340 PolarHBondContact OG-N 2.94Å; S338-L341 PolarHBondContact O-N 3.06Å; S338-L341 VanDerWaalsContact O-N 3.13Å; S338-F342 PolarHBondContact O-N 2.94Å; S338-F342 VanDerWaalsContact O-N 3.17Å
339	M	91.6	Very high	94.1	Very high	17 Å²	17	14.3 Å²	14.3	8%	0.084	8%	0.084	C	C	.	.	H	α-helix	trans	-54.9	-33.6	171	-173.3	67.4	87	0	0	111.8	L341 F342 D343 W421 M423 W429	M339-L341 PolarHBondContact O-N 3.47Å; M339-F342 WeakPolarHBondContact O-CB 3.16Å; M339-F342 PolarHBondContact O-N 2.79Å; M339-F342 HydrophobicContact SD-CD1 4.23Å; M339-D343 WeakPolarHBondContact O-CB 3.47Å; M339-D343 PolarHBondContact O-N 2.84Å; M339-W421 HydrophobicContact CB-CB 4.4Å; M339-W421 HydrophobicContact CB-CD2 4.47Å; M339-W421 HydrophobicContact CB-CG 4Å; M339-W421 HydrophobicContact CE-CB 3.94Å; M339-W421 HydrophobicContact CG-CB 4.48Å; M339-W421 HydrophobicContact CG-CG 4.32Å; M339-M423 HydrophobicContact CE-CG 4.4Å; M339-W429 HydrophobicContact CE-CB 3.67Å; M339-W429 HydrophobicContact CE-CD2 3.43Å; M339-W429 VanDerWaalsContact CE-CD2 3.43Å; M339-W429 HydrophobicContact CE-CE3 3.37Å; M339-W429 HydrophobicContact CE-CG 3.58Å; M339-W429 HydrophobicContact CE-CZ3 4.14Å; M339-W429 HydrophobicContact SD-CD2 4.03Å; M339-W429 HydrophobicContact SD-CE3 3.92Å; M339-W429 HydrophobicContact SD-CH2 4.45Å; M339-W429 HydrophobicContact SD-CZ3 4.13Å
340	L	93.2	Very high	94.1	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-59.6	-45.3	178.6	174.4	58.3	0	0	0	111.9	P303 L304 P308 S338 T344 L409 V410 A413	P303-L340 HydrophobicContact CB-CD2 4.01Å; P303-L340 HydrophobicContact CB-CG 4.3Å; P303-L340 HydrophobicContact CG-CB 4.35Å; P303-L340 HydrophobicContact CG-CD2 4.21Å; P303-L340 HydrophobicContact CG-CG 4.47Å; L304-L340 HydrophobicContact CD2-CD2 4.04Å; P308-L340 HydrophobicContact CG-CD1 4.24Å; P308-L340 HydrophobicContact CG-CD2 3.77Å; P308-L340 HydrophobicContact CG-CG 3.96Å; S338-L340 PolarHBondContact O-N 3.2Å; S338-L340 WeakPolarHBondContact OG-CB 3.25Å; S338-L340 PolarHBondContact OG-N 2.94Å; L340-T344 VanDerWaalsContact O-CB 3.24Å; L340-T344 WeakPolarHBondContact O-CB 3.13Å; L340-T344 PolarHBondContact O-N 3.39Å; L340-T344 PolarHBondContact O-OG1 2.89Å; L340-L409 HydrophobicContact CD1-CB 3.82Å; L340-V410 HydrophobicContact CD1-CG2 4.22Å; L340-A413 HydrophobicContact CB-CB 3.92Å; L340-A413 HydrophobicContact CD1-CB 3.97Å; L340-A413 HydrophobicContact CD2-CB 3.76Å; L340-A413 HydrophobicContact CG-CB 4.09Å
341	L	93.7	Very high	94.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-71.6	-40.3	179.5	-177.9	67.6	0	0	0	110.6	T300 P303 T311 V332 D334 S338 M339 D343 T344 L345 Y463	T300-L341 HydrophobicContact CG2-CD1 4.46Å; T300-L341 HydrophobicContact CG2-CD2 3.33Å; P303-L341 HydrophobicContact CB-CB 4.37Å; P303-L341 HydrophobicContact CG-CB 4.33Å; T311-L341 HydrophobicContact CG2-CD1 4.05Å; V332-L341 HydrophobicContact CG1-CD2 4.28Å; D334-L341 HydrophobicContact CB-CD2 3.6Å; D334-L341 VanDerWaalsContact CG-CD2 3.49Å; S338-L341 PolarHBondContact O-N 3.06Å; S338-L341 VanDerWaalsContact O-N 3.13Å; M339-L341 PolarHBondContact O-N 3.47Å; L341-D343 PolarHBondContact O-N 3.27Å; L341-T344 WeakPolarHBondContact O-CB 3.22Å; L341-T344 PolarHBondContact O-N 3.16Å; L341-L345 HydrophobicContact CD1-CG 4.4Å; L341-L345 HydrophobicContact CG-CD1 4.43Å; L341-L345 HydrophobicContact CG-CG 4.41Å; L341-L345 VanDerWaalsContact O-CG 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.06Å; L341-L345 PolarHBondContact O-N 3.06Å; L341-Y463 HydrophobicContact CD2-CE2 4.36Å
342	F	93.7	Very high	94	Very high	41 Å²	41	17 Å²	17	18%	0.18	10%	0.096	C	C	.	.	H	α-helix	trans	-53.9	-53.8	174.6	-174.9	-90.8	0	0	0	111.4	S338 M339 T344 L345 S346 W429 Q442 Y444 Y463	S338-F342 PolarHBondContact O-N 2.94Å; S338-F342 VanDerWaalsContact O-N 3.17Å; M339-F342 WeakPolarHBondContact O-CB 3.16Å; M339-F342 PolarHBondContact O-N 2.79Å; M339-F342 HydrophobicContact SD-CD1 4.23Å; F342-T344 VanDerWaalsContact C-N 3.35Å; F342-T344 PolarHBondContact O-N 3.46Å; F342-L345 PolarHBondContact O-N 3.46Å; F342-S346 PolarHBondContact O-N 2.75Å; F342-S346 VanDerWaalsContact O-N 3.17Å; F342-W429 HydrophobicContact CB-CH2 4.04Å; F342-W429 HydrophobicContact CB-CZ2 4.34Å; F342-W429 HydrophobicContact CD1-CH2 4.4Å; F342-W429 AromaticContact CD2-CH2 3.75Å; F342-W429 HydrophobicContact CD2-CH2 3.75Å; F342-W429 HydrophobicContact CD2-CZ3 4.41Å; F342-W429 HydrophobicContact CE2-CH2 4.28Å; F342-W429 AromaticContact CG-CH2 3.8Å; F342-W429 HydrophobicContact CG-CH2 3.8Å; F342-W429 HydrophobicContact CG-CZ3 4.39Å; F342-Q442 HydrophobicContact CE2-CB 3.81Å; F342-Q442 HydrophobicContact CE2-CG 3.95Å; F342-Q442 HydrophobicContact CZ-CG 4.19Å; F342-Y444 VanDerWaalsContact CD2-OH 3.28Å; F342-Y444 WeakPolarHBondContact CD2-OH 3.49Å; F342-Y444 VanDerWaalsContact CE2-OH 3.24Å; F342-Y444 WeakPolarHBondContact CE2-OH 3.41Å; F342-Y444 WeakPolarHBondContact CG-OH 3.38Å; F342-Y444 WeakPolarHBondContact CZ-OH 3.28Å; F342-Y444 PolarHBondContact O-OH 3.09Å; F342-Y463 HydrophobicContact CB-CE2 4.5Å; F342-Y463 AromaticContact CD2-CD1 3.98Å; F342-Y463 HydrophobicContact CD2-CD1 3.98Å; F342-Y463 AromaticContact CD2-CE1 3.95Å; F342-Y463 HydrophobicContact CD2-CE1 3.95Å; F342-Y463 HydrophobicContact CD2-CG 4.32Å; F342-Y463 HydrophobicContact CE2-CD1 4.41Å
343	D	94.2	Very high	94	Very high	42 Å²	42	20.1 Å²	20.1	23%	0.225	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-39.1	177	-73.3	-15.6	0	0	0	112	M339 L341 L345 S346 E347 L409	M339-D343 WeakPolarHBondContact O-CB 3.47Å; M339-D343 PolarHBondContact O-N 2.84Å; L341-D343 PolarHBondContact O-N 3.27Å; D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 2.87Å; D343-S346 WeakPolarHBondContact O-CB 3.47Å; D343-S346 PolarHBondContact O-N 3.33Å; D343-E347 PolarHBondContact O-N 3.03Å; D343-L409 HydrophobicContact CB-CD1 3.85Å; D343-L409 HydrophobicContact CB-CD2 4Å
344	T	95.8	Very high	94	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-41.4	176.5	-64.4	0	0	0	0	111.4	P308 A312 L340 L341 F342 E347 T348 I406	P308-T344 HydrophobicContact CB-CG2 3.84Å; A312-T344 HydrophobicContact CB-CG2 4.34Å; L340-T344 VanDerWaalsContact O-CB 3.24Å; L340-T344 WeakPolarHBondContact O-CB 3.13Å; L340-T344 PolarHBondContact O-N 3.39Å; L340-T344 PolarHBondContact O-OG1 2.89Å; L341-T344 WeakPolarHBondContact O-CB 3.22Å; L341-T344 PolarHBondContact O-N 3.16Å; F342-T344 VanDerWaalsContact C-N 3.35Å; F342-T344 PolarHBondContact O-N 3.46Å; T344-E347 PolarHBondContact O-N 2.77Å; T344-T348 VanDerWaalsContact O-CB 3.28Å; T344-T348 WeakPolarHBondContact O-CB 3.02Å; T344-T348 PolarHBondContact O-N 3.31Å; T344-T348 PolarHBondContact O-OG1 3.16Å; T344-I406 HydrophobicContact CG2-CD1 4.01Å
345	L	96.2	Very high	94.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.4	-35.9	177.9	-68.6	-179.4	0	0	0	112.2	I315 V332 L341 F342 D343 T348 S349 Y444 Y463	I315-L345 HydrophobicContact CD1-CD2 3.16Å; V332-L345 HydrophobicContact CB-CD1 4.03Å; V332-L345 HydrophobicContact CG1-CD1 4.14Å; V332-L345 HydrophobicContact CG1-CD2 4.4Å; V332-L345 HydrophobicContact CG2-CD1 4.33Å; V332-L345 HydrophobicContact CG2-CD2 4.09Å; L341-L345 HydrophobicContact CD1-CG 4.4Å; L341-L345 HydrophobicContact CG-CD1 4.43Å; L341-L345 HydrophobicContact CG-CG 4.41Å; L341-L345 VanDerWaalsContact O-CG 3.31Å; L341-L345 WeakPolarHBondContact O-CG 3.06Å; L341-L345 PolarHBondContact O-N 3.06Å; F342-L345 PolarHBondContact O-N 3.46Å; D343-L345 VanDerWaalsContact C-N 3.31Å; D343-L345 PolarHBondContact O-N 2.87Å; L345-T348 PolarHBondContact O-N 3.3Å; L345-S349 WeakPolarHBondContact O-CB 3.49Å; L345-S349 PolarHBondContact O-N 2.74Å; L345-Y444 HydrophobicContact CB-CD2 4.24Å; L345-Y444 HydrophobicContact CB-CE2 3.76Å; L345-Y444 HydrophobicContact CD1-CE2 4.31Å; L345-Y463 HydrophobicContact CD1-CD2 3.57Å; L345-Y463 HydrophobicContact CD1-CG 4.13Å
346	S	95.3	Very high	94.7	Very high	52 Å²	52	23.2 Å²	23.2	36%	0.364	12%	0.118	S	C	.	.	H	α-helix	trans	-59	-53.5	172.5	-169.9	0	0	0	0	110.9	F342 D343 T348 S349 E350	F342-S346 PolarHBondContact O-N 2.75Å; F342-S346 VanDerWaalsContact O-N 3.17Å; D343-S346 WeakPolarHBondContact O-CB 3.47Å; D343-S346 PolarHBondContact O-N 3.33Å; S346-T348 VanDerWaalsContact C-N 3.31Å; S346-T348 PolarHBondContact O-N 3.41Å; S346-S349 PolarHBondContact O-N 3.37Å; S346-S349 VanDerWaalsContact O-N 3.14Å; S346-S349 PolarHBondContact O-OG 3.37Å; S346-E350 PolarHBondContact O-N 3.41Å; S346-E350 VanDerWaalsContact O-N 3.13Å
347	E	96.6	Very high	95.2	Very high	57 Å²	57	23 Å²	23	27%	0.266	11%	0.114	S	C	.	.	H	α-helix	trans	-60.6	-39.6	176.4	-74.4	-64.5	150.6	0	0	112.5	D343 T344 S349 E350 F351 F402 R405 I406 L409	D343-E347 PolarHBondContact O-N 3.03Å; T344-E347 PolarHBondContact O-N 2.77Å; E347-S349 VanDerWaalsContact C-N 3.32Å; E347-S349 PolarHBondContact O-N 3.42Å; E347-E350 PolarHBondContact O-N 2.88Å; E347-F351 PolarHBondContact O-N 3.45Å; E347-F402 HydrophobicContact CB-CE2 4.06Å; E347-R405 WeakPolarHBondContact OE2-CD 3.24Å; E347-R405 IonicContact OE2-CZ 3.61Å; E347-R405 IonicContact OE2-NE 3.77Å; E347-R405 PolarHBondContact OE2-NE 3.13Å; E347-R405 IonicContact OE2-NH2 3.44Å; E347-I406 HydrophobicContact CB-CD1 3.77Å; E347-I406 HydrophobicContact CG-CD1 4.37Å; E347-L409 HydrophobicContact CG-CD1 3.93Å
348	T	97.6	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-39.4	177.3	-58.3	0	0	0	0	111	A312 I315 L316 T344 L345 S346 F351 A352	A312-T348 HydrophobicContact CB-CG2 4.19Å; A312-T348 VanDerWaalsContact CB-OG1 3.31Å; A312-T348 WeakPolarHBondContact CB-OG1 3.4Å; I315-T348 HydrophobicContact CB-CG2 4.29Å; I315-T348 HydrophobicContact CG2-CG2 4.06Å; L316-T348 HydrophobicContact CD1-CG2 4.42Å; L316-T348 HydrophobicContact CD2-CG2 4Å; L316-T348 HydrophobicContact CG-CG2 3.83Å; T344-T348 VanDerWaalsContact O-CB 3.28Å; T344-T348 WeakPolarHBondContact O-CB 3.02Å; T344-T348 PolarHBondContact O-N 3.31Å; T344-T348 PolarHBondContact O-OG1 3.16Å; L345-T348 PolarHBondContact O-N 3.3Å; S346-T348 VanDerWaalsContact C-N 3.31Å; S346-T348 PolarHBondContact O-N 3.41Å; T348-F351 PolarHBondContact O-N 2.86Å; T348-A352 WeakPolarHBondContact O-CB 3.36Å; T348-A352 PolarHBondContact O-N 3.2Å
349	S	96.2	Very high	95.6	Very high	13 Å²	13	22 Å²	22	9%	0.091	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-38.8	178.3	77	0	0	0	0	112.2	L345 S346 E347 A352	L345-S349 WeakPolarHBondContact O-CB 3.49Å; L345-S349 PolarHBondContact O-N 2.74Å; S346-S349 PolarHBondContact O-N 3.37Å; S346-S349 VanDerWaalsContact O-N 3.14Å; S346-S349 PolarHBondContact O-OG 3.37Å; E347-S349 VanDerWaalsContact C-N 3.32Å; E347-S349 PolarHBondContact O-N 3.42Å; S349-A352 PolarHBondContact O-N 2.97Å
350	E	95.9	Very high	95.6	Very high	66 Å²	66	24.8 Å²	24.8	31%	0.308	12%	0.117	S	C	.	.	H	α-helix	trans	-70.2	-39.8	176.1	178.4	53.2	-146.3	0	0	111.8	S346 E347 R353 R354	S346-E350 PolarHBondContact O-N 3.41Å; S346-E350 VanDerWaalsContact O-N 3.13Å; E347-E350 PolarHBondContact O-N 2.88Å; E350-R353 WeakPolarHBondContact O-CB 3.39Å; E350-R353 PolarHBondContact O-N 2.99Å; E350-R353 IonicContact OE1-NH1 2.81Å; E350-R353 PolarHBondContact OE1-NH1 3.35Å; E350-R353 VanDerWaalsContact OE2-CD 3.27Å; E350-R353 WeakPolarHBondContact OE2-CD 3.18Å; E350-R353 IonicContact OE2-CZ 2.74Å; E350-R353 IonicContact OE2-NE 3.19Å; E350-R353 IonicContact OE2-NH1 3.83Å; E350-R353 PolarHBondContact OE2-NH1 3.06Å; E350-R354 PolarHBondContact O-NH1 3.43Å; E350-R354 IonicContact OE1-CZ 2.57Å; E350-R354 IonicContact OE1-NH1 3.67Å; E350-R354 PolarHBondContact OE1-NH1 3.18Å; E350-R354 IonicContact OE1-NH2 3.04Å; E350-R354 PolarHBondContact OE1-NH2 3.39Å
351	F	97.8	Very high	95.5	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	14%	0.136	C	C	.	.	H	α-helix	trans	-67.7	-35.9	174.7	-176.1	-105.6	0	0	0	112.3	L316 E347 T348 R353 R354 W355 P369 M395 E398 Y399 F402	L316-F351 HydrophobicContact CD1-CD1 3.62Å; L316-F351 HydrophobicContact CD1-CE1 3.9Å; L316-F351 HydrophobicContact CD2-CD1 3.8Å; L316-F351 HydrophobicContact CD2-CE1 4.46Å; L316-F351 HydrophobicContact CG-CD1 4.38Å; E347-F351 PolarHBondContact O-N 3.45Å; T348-F351 PolarHBondContact O-N 2.86Å; F351-R353 PolarHBondContact O-N 3.26Å; F351-R353 VanDerWaalsContact O-N 3.13Å; F351-R354 PolarHBondContact O-N 2.82Å; F351-W355 HydrophobicContact CD1-CB 4.03Å; F351-W355 HydrophobicContact CE1-CB 3.69Å; F351-W355 HydrophobicContact CE1-CD2 4.31Å; F351-W355 HydrophobicContact CE1-CE3 4.47Å; F351-W355 AromaticContact CE1-CG 3.99Å; F351-W355 HydrophobicContact CE1-CG 3.99Å; F351-W355 HydrophobicContact CZ-CB 4.25Å; F351-W355 HydrophobicContact CZ-CE3 4.45Å; F351-W355 PolarHBondContact O-N 3.47Å; F351-P369 HydrophobicContact CE1-CG 4.17Å; F351-M395 HydrophobicContact CE2-SD 4.27Å; F351-M395 HydrophobicContact CZ-SD 4.05Å; F351-E398 HydrophobicContact CE2-CB 4.1Å; F351-Y399 AromaticContact CE1-CD2 3.9Å; F351-Y399 HydrophobicContact CE1-CD2 3.9Å; F351-Y399 AromaticContact CZ-CD2 3.76Å; F351-Y399 HydrophobicContact CZ-CD2 3.76Å; F351-Y399 HydrophobicContact CZ-CG 4.35Å; F351-F402 HydrophobicContact CB-CD2 3.75Å; F351-F402 HydrophobicContact CB-CE2 3.99Å; F351-F402 HydrophobicContact CB-CG 4.18Å; F351-F402 HydrophobicContact CD1-CD1 4.26Å; F351-F402 HydrophobicContact CD1-CG 4.32Å; F351-F402 HydrophobicContact CD2-CB 3.88Å; F351-F402 HydrophobicContact CD2-CD2 4.44Å; F351-F402 HydrophobicContact CD2-CG 4.12Å; F351-F402 HydrophobicContact CE2-CB 4.21Å; F351-F402 HydrophobicContact CG-CB 4.22Å; F351-F402 HydrophobicContact CG-CD1 4.34Å; F351-F402 HydrophobicContact CG-CD2 4.03Å; F351-F402 AromaticContact CG-CG 3.93Å; F351-F402 HydrophobicContact CG-CG 3.93Å
352	A	97.1	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.6	-30.7	178.3	0	0	0	0	0	112.9	L316 L319 T348 S349 R354 W355 V356 L445	L316-A352 HydrophobicContact CD2-CB 3.81Å; L319-A352 HydrophobicContact CD1-CB 3.77Å; T348-A352 WeakPolarHBondContact O-CB 3.36Å; T348-A352 PolarHBondContact O-N 3.2Å; S349-A352 PolarHBondContact O-N 2.97Å; A352-R354 PolarHBondContact O-N 3.39Å; A352-R354 VanDerWaalsContact O-N 3.17Å; A352-W355 PolarHBondContact O-N 2.94Å; A352-V356 HydrophobicContact CB-CG2 4.34Å; A352-V356 WeakPolarHBondContact O-CB 3.05Å; A352-V356 WeakPolarHBondContact O-CG2 3.47Å; A352-V356 PolarHBondContact O-N 3.46Å; A352-L445 HydrophobicContact CB-CD1 4.34Å
353	R	96.1	Very high	95.2	Very high	65 Å²	65	29.4 Å²	29.4	25%	0.245	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-22	177.2	-61.3	172	68.1	-153.8	-2.3	114.2	E350 F351 P357 F451 D452 I453 L458	E350-R353 WeakPolarHBondContact O-CB 3.39Å; E350-R353 PolarHBondContact O-N 2.99Å; E350-R353 IonicContact OE1-NH1 2.81Å; E350-R353 PolarHBondContact OE1-NH1 3.35Å; E350-R353 VanDerWaalsContact OE2-CD 3.27Å; E350-R353 WeakPolarHBondContact OE2-CD 3.18Å; E350-R353 IonicContact OE2-CZ 2.74Å; E350-R353 IonicContact OE2-NE 3.19Å; E350-R353 IonicContact OE2-NH1 3.83Å; E350-R353 PolarHBondContact OE2-NH1 3.06Å; F351-R353 PolarHBondContact O-N 3.26Å; F351-R353 VanDerWaalsContact O-N 3.13Å; R353-P357 WeakPolarHBondContact O-CD 3.16Å; R353-P357 WeakPolarHBondContact O-CG 3.31Å; R353-F451 PolarHBondContact NE-O 3.5Å; R353-F451 PolarHBondContact NH2-O 3.26Å; R353-D452 WeakPolarHBondContact O-CB 3.3Å; R353-I453 PolarHBondContact O-N 3.31Å; R353-L458 HydrophobicContact CB-CD1 4.37Å; R353-L458 HydrophobicContact CG-CD1 3.78Å
354	R	96.5	Very high	95	Very high	78 Å²	78	27.6 Å²	27.6	29%	0.294	13%	0.129	S	C	.	.	H	α-helix	trans	-107.1	-37	176.7	-58.2	177.7	-175.6	72.3	0.4	111.4	E350 F351 A352 F358 M395 E398 I453	E350-R354 PolarHBondContact O-NH1 3.43Å; E350-R354 IonicContact OE1-CZ 2.57Å; E350-R354 IonicContact OE1-NH1 3.67Å; E350-R354 PolarHBondContact OE1-NH1 3.18Å; E350-R354 IonicContact OE1-NH2 3.04Å; E350-R354 PolarHBondContact OE1-NH2 3.39Å; F351-R354 PolarHBondContact O-N 2.82Å; A352-R354 PolarHBondContact O-N 3.39Å; A352-R354 VanDerWaalsContact O-N 3.17Å; R354-F358 WeakPolarHBondContact O-CB 3.48Å; R354-F358 PolarHBondContact O-N 3.4Å; R354-M395 HydrophobicContact CB-CE 3.94Å; R354-E398 WeakPolarHBondContact CD-OE2 3.1Å; R354-I453 HydrophobicContact CG-CD1 4.41Å; R354-I453 HydrophobicContact CG-CG2 3.75Å
355	W	97.6	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.4	-44.7	-179	-179.8	-113.9	0	0	0	114	L316 F351 A352 F358 C359 R367 P369 Y372 F373 M395	L316-W355 HydrophobicContact CD2-CB 4.39Å; L316-W355 HydrophobicContact CD2-CG 4.43Å; F351-W355 HydrophobicContact CD1-CB 4.03Å; F351-W355 HydrophobicContact CE1-CB 3.69Å; F351-W355 HydrophobicContact CE1-CD2 4.31Å; F351-W355 HydrophobicContact CE1-CE3 4.47Å; F351-W355 AromaticContact CE1-CG 3.99Å; F351-W355 HydrophobicContact CE1-CG 3.99Å; F351-W355 HydrophobicContact CZ-CB 4.25Å; F351-W355 HydrophobicContact CZ-CE3 4.45Å; F351-W355 PolarHBondContact O-N 3.47Å; A352-W355 PolarHBondContact O-N 2.94Å; W355-F358 AromaticContact CE3-CD1 3.93Å; W355-F358 HydrophobicContact CE3-CD1 3.93Å; W355-F358 HydrophobicContact CH2-CD1 4.28Å; W355-F358 HydrophobicContact CH2-CE1 4.29Å; W355-F358 AromaticContact CZ3-CD1 3.62Å; W355-F358 HydrophobicContact CZ3-CD1 3.62Å; W355-F358 AromaticContact CZ3-CE1 3.8Å; W355-F358 HydrophobicContact CZ3-CE1 3.8Å; W355-F358 WeakPolarHBondContact O-CB 3.46Å; W355-F358 PolarHBondContact O-N 3.34Å; W355-C359 WeakPolarHBondContact CZ2-SG 3.28Å; W355-C359 PolarHBondContact NE1-SG 3.2Å; W355-C359 VanDerWaalsContact NE1-SG 3.4Å; W355-C359 PolarHBondContact O-N 3.28Å; W355-C359 PolarHBondContact O-SG 3.49Å; W355-R367 WeakPolarHBondContact CZ2-O 3.46Å; W355-R367 PolarHBondContact NE1-O 3.46Å; W355-P369 HydrophobicContact CD2-CB 4.41Å; W355-P369 HydrophobicContact CD2-CG 3.91Å; W355-P369 HydrophobicContact CE3-CB 4.43Å; W355-P369 HydrophobicContact CE3-CG 4.39Å; W355-P369 HydrophobicContact CG-CG 4.38Å; W355-P369 HydrophobicContact CH2-CB 3.91Å; W355-P369 HydrophobicContact CH2-CG 4.26Å; W355-P369 HydrophobicContact CZ2-CB 3.85Å; W355-P369 HydrophobicContact CZ2-CG 3.74Å; W355-P369 HydrophobicContact CZ3-CB 4.19Å; W355-Y372 AromaticContact CH2-CD1 3.83Å; W355-Y372 HydrophobicContact CH2-CD1 3.83Å; W355-Y372 HydrophobicContact CH2-CG 4.24Å; W355-Y372 HydrophobicContact CZ3-CD1 4.46Å; W355-F373 HydrophobicContact CH2-CE2 4.35Å; W355-F373 AromaticContact CZ3-CE2 3.97Å; W355-F373 HydrophobicContact CZ3-CE2 3.97Å; W355-F373 HydrophobicContact CZ3-CZ 4.02Å; W355-M395 HydrophobicContact CE3-CG 3.79Å; W355-M395 HydrophobicContact CE3-SD 3.87Å; W355-M395 HydrophobicContact CZ3-CG 3.83Å
356	V	96.5	Very high	94.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-46.9	-177	173.8	0	0	0	0	111.7	L319 A320 A352 F358 C359 K360 L458	L319-V356 HydrophobicContact CB-CG2 3.98Å; A320-V356 HydrophobicContact CB-CG2 4.16Å; A352-V356 HydrophobicContact CB-CG2 4.34Å; A352-V356 WeakPolarHBondContact O-CB 3.05Å; A352-V356 WeakPolarHBondContact O-CG2 3.47Å; A352-V356 PolarHBondContact O-N 3.46Å; V356-F358 VanDerWaalsContact C-N 3.34Å; V356-F358 PolarHBondContact O-N 3.21Å; V356-C359 PolarHBondContact O-N 3.19Å; V356-K360 HydrophobicContact CG1-CD 4.21Å; V356-K360 WeakPolarHBondContact O-CG 3.43Å; V356-K360 PolarHBondContact O-N 3.33Å; V356-K360 VanDerWaalsContact O-N 3.08Å; V356-L458 HydrophobicContact CB-CD2 3.7Å; V356-L458 HydrophobicContact CG1-CD2 3.73Å; V356-L458 HydrophobicContact CG2-CD2 4.05Å
357	P	95.3	Very high	94.6	Very high	9 Å²	9	27 Å²	27	6%	0.058	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-42.4	173.3	-24.8	34.5	0	0	0	112.7	R353 C359 K360 K361 D452 I453	R353-P357 WeakPolarHBondContact O-CD 3.16Å; R353-P357 WeakPolarHBondContact O-CG 3.31Å; P357-C359 VanDerWaalsContact C-N 3.32Å; P357-C359 PolarHBondContact O-N 2.95Å; P357-K360 PolarHBondContact O-N 3.27Å; P357-K361 WeakPolarHBondContact O-CB 3.39Å; P357-K361 PolarHBondContact O-N 3.2Å; P357-D452 HydrophobicContact CG-CB 3.61Å; P357-D452 WeakPolarHBondContact CG-OD2 3.47Å; P357-I453 HydrophobicContact CG-CG1 4.31Å
358	F	95.3	Very high	94.6	Very high	10 Å²	10	24.3 Å²	24.3	4%	0.044	11%	0.108	C	C	.	.	H	α-helix	trans	-57.5	-45.5	176.1	174.5	-93	0	0	0	111.8	R354 W355 V356 K360 Y362 V364 Y372 F388 D391 R392 M395	R354-F358 WeakPolarHBondContact O-CB 3.48Å; R354-F358 PolarHBondContact O-N 3.4Å; W355-F358 AromaticContact CE3-CD1 3.93Å; W355-F358 HydrophobicContact CE3-CD1 3.93Å; W355-F358 HydrophobicContact CH2-CD1 4.28Å; W355-F358 HydrophobicContact CH2-CE1 4.29Å; W355-F358 AromaticContact CZ3-CD1 3.62Å; W355-F358 HydrophobicContact CZ3-CD1 3.62Å; W355-F358 AromaticContact CZ3-CE1 3.8Å; W355-F358 HydrophobicContact CZ3-CE1 3.8Å; W355-F358 WeakPolarHBondContact O-CB 3.46Å; W355-F358 PolarHBondContact O-N 3.34Å; V356-F358 VanDerWaalsContact C-N 3.34Å; V356-F358 PolarHBondContact O-N 3.21Å; F358-K360 PolarHBondContact O-N 2.97Å; F358-Y362 AromaticContact CD2-CD2 3.53Å; F358-Y362 HydrophobicContact CD2-CD2 3.53Å; F358-Y362 AromaticContact CD2-CE2 3.76Å; F358-Y362 HydrophobicContact CD2-CE2 3.76Å; F358-Y362 AromaticContact CE2-CD2 3.5Å; F358-Y362 HydrophobicContact CE2-CD2 3.5Å; F358-Y362 AromaticContact CE2-CE2 3.78Å; F358-Y362 HydrophobicContact CE2-CE2 3.78Å; F358-Y362 HydrophobicContact CG-CD2 4.22Å; F358-Y362 HydrophobicContact CZ-CD2 4.19Å; F358-Y362 PolarHBondContact O-N 3.01Å; F358-Y362 VanDerWaalsContact O-N 3.13Å; F358-V364 HydrophobicContact CD1-CG1 4.45Å; F358-V364 HydrophobicContact CE1-CG1 3.83Å; F358-V364 HydrophobicContact CZ-CG1 4.36Å; F358-Y372 HydrophobicContact CE1-CE1 4.07Å; F358-Y372 HydrophobicContact CZ-CE1 4.36Å; F358-F388 HydrophobicContact CZ-CE2 4.48Å; F358-D391 HydrophobicContact CE2-CB 4.47Å; F358-R392 HydrophobicContact CE2-CB 4.37Å; F358-R392 HydrophobicContact CZ-CB 4.23Å; F358-R392 HydrophobicContact CZ-CG 4.38Å; F358-M395 HydrophobicContact CB-CE 3.95Å; F358-M395 HydrophobicContact CD1-CG 3.96Å; F358-M395 HydrophobicContact CD2-CB 4.06Å; F358-M395 HydrophobicContact CD2-CE 4.41Å; F358-M395 HydrophobicContact CD2-CG 4.09Å; F358-M395 HydrophobicContact CE1-CG 4.18Å; F358-M395 HydrophobicContact CE2-CB 4.02Å; F358-M395 HydrophobicContact CE2-CG 4.31Å; F358-M395 HydrophobicContact CG-CB 4.41Å; F358-M395 HydrophobicContact CG-CE 4.24Å; F358-M395 HydrophobicContact CG-CG 3.92Å; F358-M395 HydrophobicContact CZ-CB 4.32Å; F358-M395 HydrophobicContact CZ-CG 4.36Å
359	C	95.2	Very high	94.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-44.2	178.1	-69.9	0	0	0	0	112.5	A320 W355 V356 P357 N363 V364 R367	A320-C359 HydrophobicContact CB-CB 4.1Å; W355-C359 WeakPolarHBondContact CZ2-SG 3.28Å; W355-C359 PolarHBondContact NE1-SG 3.2Å; W355-C359 VanDerWaalsContact NE1-SG 3.4Å; W355-C359 PolarHBondContact O-N 3.28Å; W355-C359 PolarHBondContact O-SG 3.49Å; V356-C359 PolarHBondContact O-N 3.19Å; P357-C359 VanDerWaalsContact C-N 3.32Å; P357-C359 PolarHBondContact O-N 2.95Å; C359-N363 VanDerWaalsContact O-CA 3.24Å; C359-N363 WeakPolarHBondContact O-CA 3Å; C359-N363 PolarHBondContact O-N 2.82Å; C359-V364 HydrophobicContact CB-CG2 3.93Å; C359-V364 PolarHBondContact O-N 3.2Å; C359-V364 VanDerWaalsContact SG-CG2 3.55Å; C359-R367 HydrophobicContact CB-CG 4.44Å
360	K	91.8	Very high	94.4	Very high	76 Å²	76	26.8 Å²	26.8	33%	0.33	12%	0.118	S	C	.	.	H	α-helix	trans	-72.3	-40.5	-179.5	-69.3	177.4	-179.6	174	0	112.5	V356 P357 F358 Y362 N363	V356-K360 HydrophobicContact CG1-CD 4.21Å; V356-K360 WeakPolarHBondContact O-CG 3.43Å; V356-K360 PolarHBondContact O-N 3.33Å; V356-K360 VanDerWaalsContact O-N 3.08Å; P357-K360 PolarHBondContact O-N 3.27Å; F358-K360 PolarHBondContact O-N 2.97Å; K360-Y362 VanDerWaalsContact C-N 3.34Å; K360-Y362 PolarHBondContact O-N 2.65Å; K360-N363 PolarHBondContact O-OD1 2.97Å
361	K	91.4	Very high	94.2	Very high	98 Å²	98	25.9 Å²	25.9	43%	0.426	11%	0.113	S	C	.	.	H	α-helix	trans	-63	-40.9	179.7	-179.6	179.1	177.8	-175	0	111.9	P357 Q385 D391	P357-K361 WeakPolarHBondContact O-CB 3.39Å; P357-K361 PolarHBondContact O-N 3.2Å; K361-Q385 PolarHBondContact O-NE2 2.71Å; K361-D391 IonicContact NZ-OD2 2.81Å; K361-D391 PolarHBondContact NZ-OD2 2.81Å
362	Y	90.5	Very high	94	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-107.2	-0.8	-173.4	-66	-62.5	0	0	0	114.7	F358 K360 V364 K383 Q385 T387 F388 D391	F358-Y362 AromaticContact CD2-CD2 3.53Å; F358-Y362 HydrophobicContact CD2-CD2 3.53Å; F358-Y362 AromaticContact CD2-CE2 3.76Å; F358-Y362 HydrophobicContact CD2-CE2 3.76Å; F358-Y362 AromaticContact CE2-CD2 3.5Å; F358-Y362 HydrophobicContact CE2-CD2 3.5Å; F358-Y362 AromaticContact CE2-CE2 3.78Å; F358-Y362 HydrophobicContact CE2-CE2 3.78Å; F358-Y362 HydrophobicContact CG-CD2 4.22Å; F358-Y362 HydrophobicContact CZ-CD2 4.19Å; F358-Y362 PolarHBondContact O-N 3.01Å; F358-Y362 VanDerWaalsContact O-N 3.13Å; K360-Y362 VanDerWaalsContact C-N 3.34Å; K360-Y362 PolarHBondContact O-N 2.65Å; Y362-V364 PolarHBondContact O-N 2.76Å; Y362-K383 PolarHBondContact O-NZ 2.7Å; Y362-Q385 HydrophobicContact CE1-CB 4.03Å; Y362-T387 PolarHBondContact OH-OG1 3.43Å; Y362-F388 HydrophobicContact CD1-CB 4.12Å; Y362-F388 AromaticContact CD1-CD2 3.37Å; Y362-F388 HydrophobicContact CD1-CD2 3.37Å; Y362-F388 HydrophobicContact CD1-CE2 4.19Å; Y362-F388 HydrophobicContact CD1-CG 4.14Å; Y362-F388 HydrophobicContact CD2-CD2 4.08Å; Y362-F388 HydrophobicContact CD2-CE2 4.5Å; Y362-F388 HydrophobicContact CE1-CB 3.7Å; Y362-F388 AromaticContact CE1-CD2 3.68Å; Y362-F388 HydrophobicContact CE1-CD2 3.68Å; Y362-F388 HydrophobicContact CE1-CG 4.17Å; Y362-F388 HydrophobicContact CE2-CD2 4.36Å; Y362-F388 AromaticContact CG-CD2 3.58Å; Y362-F388 HydrophobicContact CG-CD2 3.58Å; Y362-F388 HydrophobicContact CG-CE2 4Å; Y362-D391 HydrophobicContact CE2-CB 3.74Å; Y362-D391 WeakPolarHBondContact OH-CB 3.44Å; Y362-D391 PolarHBondContact OH-OD2 3.11Å
363	N	89.1	Confident	93.8	Very high	40 Å²	40	27.1 Å²	27.1	21%	0.214	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	62.7	-175.2	-71	-2.6	0	0	0	112.1	D154 C359 K360 K383	D154-N363 WeakPolarHBondContact OD2-CB 3.32Å; D154-N363 PolarHBondContact OD2-ND2 3.38Å; C359-N363 VanDerWaalsContact O-CA 3.24Å; C359-N363 WeakPolarHBondContact O-CA 3Å; C359-N363 PolarHBondContact O-N 2.82Å; K360-N363 PolarHBondContact O-OD1 2.97Å; N363-K383 PolarHBondContact O-NZ 3.09Å
364	V	90.1	Very high	93.5	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	13%	0.129	C	C	.	.			trans	-85.4	146.8	178.9	-52.7	0	0	0	0	111.1	F358 C359 Y362 R367 Y372	F358-V364 HydrophobicContact CD1-CG1 4.45Å; F358-V364 HydrophobicContact CE1-CG1 3.83Å; F358-V364 HydrophobicContact CZ-CG1 4.36Å; C359-V364 HydrophobicContact CB-CG2 3.93Å; C359-V364 PolarHBondContact O-N 3.2Å; C359-V364 VanDerWaalsContact SG-CG2 3.55Å; Y362-V364 PolarHBondContact O-N 2.76Å; V364-R367 HydrophobicContact CG2-CG 4.47Å; V364-R367 VanDerWaalsContact O-CG 3.3Å; V364-R367 WeakPolarHBondContact O-CG 3.21Å; V364-Y372 HydrophobicContact CB-CD2 4.04Å; V364-Y372 HydrophobicContact CB-CE2 3.71Å; V364-Y372 HydrophobicContact CG1-CE2 3.93Å
365	E	90.8	Very high	92.9	Very high	32 Å²	32	25.6 Å²	25.6	15%	0.15	13%	0.125	C	C	.	.	S	Bend	trans	-143	133.2	174.6	-72.1	-63.2	152	0	0	108.9	R367 S509 R769	E365-R367 IonicContact OE1-NE 3.47Å; E365-R367 PolarHBondContact OE1-NE 3.5Å; E365-R367 IonicContact OE1-NH2 3.21Å; E365-S509 WeakPolarHBondContact OE1-CB 3.34Å; E365-S509 PolarHBondContact OE1-OG 3.47Å; E365-S509 PolarHBondContact OE2-N 3.48Å; E365-R769 IonicContact OE2-NE 3.37Å
366	P	93.5	Very high	92	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	17%	0.168	C	C	.	.	S	Bend	cis	-68.5	164.5	-6.8	31.5	-34.4	0	0	0	111.8	A368 F371 Y505	P366-A368 VanDerWaalsContact C-N 3.31Å; P366-F371 HydrophobicContact CG-CB 3.88Å; P366-Y505 HydrophobicContact CB-CE2 3.87Å; P366-Y505 HydrophobicContact CG-CE2 4.4Å
367	R	95.1	Very high	90.8	Very high	8 Å²	8	39.1 Å²	39.1	3%	0.03	19%	0.186	C	C	.	.			trans	-92.5	10.5	177.4	-58.9	-169.9	-174.5	-175.1	5.6	113.7	S317 A320 W355 C359 V364 E365 S509	S317-R367 WeakPolarHBondContact CA-O 3.49Å; A320-R367 HydrophobicContact CB-CB 3.91Å; A320-R367 HydrophobicContact CB-CG 4.47Å; A320-R367 WeakPolarHBondContact O-CD 3.46Å; A320-R367 PolarHBondContact O-NE 2.91Å; A320-R367 PolarHBondContact O-NH1 3.48Å; W355-R367 WeakPolarHBondContact CZ2-O 3.46Å; W355-R367 PolarHBondContact NE1-O 3.46Å; C359-R367 HydrophobicContact CB-CG 4.44Å; V364-R367 HydrophobicContact CG2-CG 4.47Å; V364-R367 VanDerWaalsContact O-CG 3.3Å; V364-R367 WeakPolarHBondContact O-CG 3.21Å; E365-R367 IonicContact OE1-NE 3.47Å; E365-R367 PolarHBondContact OE1-NE 3.5Å; E365-R367 IonicContact OE1-NH2 3.21Å; R367-S509 VanDerWaalsContact CZ-OG 3.32Å; R367-S509 PolarHBondContact NE-OG 2.91Å; R367-S509 PolarHBondContact NH2-OG 3.13Å
368	A	96.3	Very high	89.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-90.7	115.9	168.2	0	0	0	0	0	109.3	P366 E370 F371 Y372 Y505	P366-A368 VanDerWaalsContact C-N 3.31Å; A368-E370 PolarHBondContact O-N 2.72Å; A368-F371 HydrophobicContact CB-CB 4.47Å; A368-F371 HydrophobicContact CB-CD2 3.83Å; A368-F371 PolarHBondContact O-N 3.47Å; A368-Y372 WeakPolarHBondContact O-CB 3.42Å; A368-Y372 PolarHBondContact O-N 3.47Å; A368-Y505 HydrophobicContact CB-CD2 3.44Å; A368-Y505 VanDerWaalsContact CB-CD2 3.44Å; A368-Y505 HydrophobicContact CB-CE2 4.04Å; A368-Y505 HydrophobicContact CB-CG 3.73Å
369	P	96.1	Very high	88.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-45.6	-169.7	-11.5	10	0	0	0	115.1	N313 L316 F351 W355 F371 Y372 F373 Y399	N313-P369 WeakPolarHBondContact OD1-CD 3.31Å; L316-P369 HydrophobicContact CB-CG 4.33Å; L316-P369 HydrophobicContact CD1-CG 3.74Å; F351-P369 HydrophobicContact CE1-CG 4.17Å; W355-P369 HydrophobicContact CD2-CB 4.41Å; W355-P369 HydrophobicContact CD2-CG 3.91Å; W355-P369 HydrophobicContact CE3-CB 4.43Å; W355-P369 HydrophobicContact CE3-CG 4.39Å; W355-P369 HydrophobicContact CG-CG 4.38Å; W355-P369 HydrophobicContact CH2-CB 3.91Å; W355-P369 HydrophobicContact CH2-CG 4.26Å; W355-P369 HydrophobicContact CZ2-CB 3.85Å; W355-P369 HydrophobicContact CZ2-CG 3.74Å; W355-P369 HydrophobicContact CZ3-CB 4.19Å; P369-F371 VanDerWaalsContact C-N 3.26Å; P369-F371 PolarHBondContact O-N 3.23Å; P369-Y372 PolarHBondContact O-N 2.83Å; P369-F373 HydrophobicContact CB-CD2 4.22Å; P369-F373 HydrophobicContact CB-CE2 4.14Å; P369-F373 WeakPolarHBondContact O-CD2 3.31Å; P369-F373 PolarHBondContact O-N 3.33Å; P369-Y399 HydrophobicContact CB-CD1 4.32Å; P369-Y399 HydrophobicContact CB-CD2 3.61Å; P369-Y399 HydrophobicContact CB-CE1 4.21Å; P369-Y399 HydrophobicContact CB-CE2 3.52Å; P369-Y399 HydrophobicContact CB-CG 4.03Å; P369-Y399 HydrophobicContact CG-CD2 4.12Å; P369-Y399 HydrophobicContact CG-CE2 3.89Å
370	E	94.5	Very high	87.2	Confident	65 Å²	65	50.9 Å²	50.9	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-54.9	-44.9	179.4	-172.9	67.1	-151.3	0	0	111.2	N313 A368 S374 Y399 K403	N313-E370 WeakPolarHBondContact OD1-CB 3.42Å; N313-E370 PolarHBondContact OD1-N 3.46Å; A368-E370 PolarHBondContact O-N 2.72Å; E370-S374 WeakPolarHBondContact O-CB 3.47Å; E370-S374 PolarHBondContact O-N 3.18Å; E370-S374 VanDerWaalsContact O-N 3.16Å; E370-S374 PolarHBondContact O-OG 3.31Å; E370-Y399 HydrophobicContact CB-CE1 4.42Å; E370-Y399 WeakPolarHBondContact CB-OH 3.07Å; E370-Y399 WeakPolarHBondContact OE2-CE1 3.29Å; E370-Y399 PolarHBondContact OE2-OH 2.71Å; E370-K403 IonicContact OE1-NZ 2.72Å; E370-K403 PolarHBondContact OE1-NZ 3.24Å; E370-K403 WeakPolarHBondContact OE2-CE 3.37Å; E370-K403 IonicContact OE2-NZ 3.51Å; E370-K403 PolarHBondContact OE2-NZ 3.42Å
371	F	92.6	Very high	86	Confident	48 Å²	48	53.9 Å²	53.9	21%	0.211	26%	0.258	C	S	.	.	H	α-helix	trans	-75.6	-36.4	-178.8	-62.4	-73	0	0	0	112	P366 A368 P369 S374 E375 Y505 D538	P366-F371 HydrophobicContact CG-CB 3.88Å; A368-F371 HydrophobicContact CB-CB 4.47Å; A368-F371 HydrophobicContact CB-CD2 3.83Å; A368-F371 PolarHBondContact O-N 3.47Å; P369-F371 VanDerWaalsContact C-N 3.26Å; P369-F371 PolarHBondContact O-N 3.23Å; F371-S374 WeakPolarHBondContact CA-OG 3.46Å; F371-S374 PolarHBondContact O-N 2.97Å; F371-S374 PolarHBondContact O-OG 2.7Å; F371-S374 VanDerWaalsContact O-OG 3.07Å; F371-E375 PolarHBondContact O-N 2.89Å; F371-Y505 HydrophobicContact CB-CE2 4.35Å; F371-Y505 HydrophobicContact CD1-CE1 4.11Å; F371-Y505 AromaticContact CD2-CD1 3.61Å; F371-Y505 HydrophobicContact CD2-CD1 3.61Å; F371-Y505 HydrophobicContact CD2-CD2 4.34Å; F371-Y505 AromaticContact CD2-CE1 3.29Å; F371-Y505 HydrophobicContact CD2-CE1 3.29Å; F371-Y505 HydrophobicContact CD2-CE2 4.07Å; F371-Y505 HydrophobicContact CD2-CG 4.13Å; F371-Y505 AromaticContact CD2-CZ 3.54Å; F371-Y505 HydrophobicContact CE1-CE1 4.06Å; F371-Y505 AromaticContact CE2-CD1 3.38Å; F371-Y505 HydrophobicContact CE2-CD1 3.38Å; F371-Y505 AromaticContact CE2-CE1 3.23Å; F371-Y505 HydrophobicContact CE2-CE1 3.23Å; F371-Y505 HydrophobicContact CE2-CG 4.24Å; F371-Y505 AromaticContact CE2-CZ 3.98Å; F371-Y505 HydrophobicContact CG-CD1 4.48Å; F371-Y505 AromaticContact CG-CE1 3.75Å; F371-Y505 HydrophobicContact CG-CE1 3.75Å; F371-Y505 HydrophobicContact CG-CE2 4.29Å; F371-Y505 AromaticContact CG-CZ 3.62Å; F371-Y505 HydrophobicContact CZ-CD1 4.11Å; F371-Y505 AromaticContact CZ-CE1 3.63Å; F371-Y505 HydrophobicContact CZ-CE1 3.63Å; F371-D538 HydrophobicContact CE1-CB 4.09Å
372	Y	93.1	Very high	84.7	Confident	8 Å²	8	54.1 Å²	54.1	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-44.3	173.8	172.8	-106.9	0	0	0	112.5	W355 F358 V364 A368 P369 Y379 R392	W355-Y372 AromaticContact CH2-CD1 3.83Å; W355-Y372 HydrophobicContact CH2-CD1 3.83Å; W355-Y372 HydrophobicContact CH2-CG 4.24Å; W355-Y372 HydrophobicContact CZ3-CD1 4.46Å; F358-Y372 HydrophobicContact CE1-CE1 4.07Å; F358-Y372 HydrophobicContact CZ-CE1 4.36Å; V364-Y372 HydrophobicContact CB-CD2 4.04Å; V364-Y372 HydrophobicContact CB-CE2 3.71Å; V364-Y372 HydrophobicContact CG1-CE2 3.93Å; A368-Y372 WeakPolarHBondContact O-CB 3.42Å; A368-Y372 PolarHBondContact O-N 3.47Å; P369-Y372 PolarHBondContact O-N 2.83Å; Y372-Y379 HydrophobicContact CE2-CD1 4.38Å; Y372-Y379 HydrophobicContact CE2-CE1 4.09Å; Y372-Y379 PolarHBondContact O-OH 2.91Å; Y372-R392 WeakPolarHBondContact OH-CD 3.46Å; Y372-R392 PolarHBondContact OH-NE 3.35Å
373	F	93.2	Very high	83.5	Confident	20 Å²	20	57.2 Å²	57.2	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-79.6	-15.5	-177.5	-69.7	-58	0	0	0	114.2	W355 P369 R392 M395 K396 Y399	W355-F373 HydrophobicContact CH2-CE2 4.35Å; W355-F373 AromaticContact CZ3-CE2 3.97Å; W355-F373 HydrophobicContact CZ3-CE2 3.97Å; W355-F373 HydrophobicContact CZ3-CZ 4.02Å; P369-F373 HydrophobicContact CB-CD2 4.22Å; P369-F373 HydrophobicContact CB-CE2 4.14Å; P369-F373 WeakPolarHBondContact O-CD2 3.31Å; P369-F373 PolarHBondContact O-N 3.33Å; F373-R392 HydrophobicContact CE1-CG 4.36Å; F373-M395 HydrophobicContact CZ-CB 4.36Å; F373-M395 HydrophobicContact CZ-CG 4.04Å; F373-K396 HydrophobicContact CD1-CB 4.05Å; F373-K396 HydrophobicContact CD1-CD 4.21Å; F373-K396 HydrophobicContact CD1-CG 4.06Å; F373-K396 HydrophobicContact CE1-CB 3.67Å; F373-K396 HydrophobicContact CE1-CG 4.19Å; F373-K396 HydrophobicContact CG-CG 4.37Å; F373-K396 HydrophobicContact CZ-CB 4.03Å; F373-Y399 AromaticContact CD2-CD1 3.67Å; F373-Y399 HydrophobicContact CD2-CD1 3.67Å; F373-Y399 HydrophobicContact CD2-CE1 4.32Å; F373-Y399 HydrophobicContact CD2-CG 4.11Å; F373-Y399 HydrophobicContact CE2-CD1 4.04Å; F373-Y399 AromaticContact CE2-CG 3.99Å; F373-Y399 HydrophobicContact CE2-CG 3.99Å
374	S	89.1	Confident	82.1	Confident	68 Å²	68	62.1 Å²	62.1	48%	0.476	31%	0.309	S	S	.	.	H	α-helix	trans	-89.3	-15	175.4	54.3	0	0	0	0	114.1	E370 F371 K376	E370-S374 WeakPolarHBondContact O-CB 3.47Å; E370-S374 PolarHBondContact O-N 3.18Å; E370-S374 VanDerWaalsContact O-N 3.16Å; E370-S374 PolarHBondContact O-OG 3.31Å; F371-S374 WeakPolarHBondContact CA-OG 3.46Å; F371-S374 PolarHBondContact O-N 2.97Å; F371-S374 PolarHBondContact O-OG 2.7Å; F371-S374 VanDerWaalsContact O-OG 3.07Å; S374-K376 PolarHBondContact O-N 3Å
375	E	84.9	Confident	81.2	Confident	43 Å²	43	66.2 Å²	66.2	20%	0.201	33%	0.328	C	S	.	.			trans	-61.9	124.9	176.3	-79.8	-171.5	161.8	0	0	112.1	F371 I377 Y379	F371-E375 PolarHBondContact O-N 2.89Å; E375-I377 VanDerWaalsContact C-N 3.31Å; E375-I377 HydrophobicContact CB-CD1 4.05Å; E375-I377 HydrophobicContact CB-CG1 4.17Å; E375-I377 HydrophobicContact CG-CD1 4.24Å; E375-I377 PolarHBondContact O-N 3.43Å; E375-I377 VanDerWaalsContact O-N 3.15Å; E375-I377 WeakPolarHBondContact OE2-CD1 3.18Å; E375-Y379 VanDerWaalsContact O-CZ 3.26Å; E375-Y379 PolarHBondContact O-OH 3.48Å
376	K	76.7	Confident	80.6	Confident	211 Å²	211	71.4 Å²	71.4	92%	0.917	36%	0.362	S	S	*	.			trans	-89.5	62.2	176.1	-62.9	178.8	-175.6	172	0	110.8	S374	S374-K376 PolarHBondContact O-N 3Å
377	I	72.1	Confident	80.2	Confident	74 Å²	74	74.2 Å²	74.2	38%	0.379	38%	0.379	S	S	.	.	S	Bend	trans	-116.6	152.4	-176.5	-55.2	173.7	0	0	0	110	E375 Y379	E375-I377 VanDerWaalsContact C-N 3.31Å; E375-I377 HydrophobicContact CB-CD1 4.05Å; E375-I377 HydrophobicContact CB-CG1 4.17Å; E375-I377 HydrophobicContact CG-CD1 4.24Å; E375-I377 PolarHBondContact O-N 3.43Å; E375-I377 VanDerWaalsContact O-N 3.15Å; E375-I377 WeakPolarHBondContact OE2-CD1 3.18Å; I377-Y379 WeakPolarHBondContact O-CD2 3.38Å; I377-Y379 VanDerWaalsContact O-CE2 3.29Å; I377-Y379 WeakPolarHBondContact O-CE2 3Å; I377-Y379 PolarHBondContact O-N 3.25Å; I377-Y379 VanDerWaalsContact O-N 3.08Å
378	D	71	Confident	79.8	Confident	107 Å²	107	74 Å²	74	57%	0.572	38%	0.379	S	S	*	.			trans	-70.7	98.5	167.5	-173.1	1.3	0	0	0	110.7	L380 K381	D378-L380 PolarHBondContact O-N 2.86Å; D378-L380 WeakPolarHBondContact OD1-CB 3.39Å; D378-L380 PolarHBondContact OD1-N 3.06Å; D378-K381 WeakPolarHBondContact O-CB 3.23Å; D378-K381 PolarHBondContact O-N 3.11Å
379	Y	69.9	Low	79.4	Confident	48 Å²	48	77 Å²	77	19%	0.188	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10	-179.4	-57.3	-80.6	0	0	0	114.2	Y372 E375 I377 K381 K383 F388 R392	Y372-Y379 HydrophobicContact CE2-CD1 4.38Å; Y372-Y379 HydrophobicContact CE2-CE1 4.09Å; Y372-Y379 PolarHBondContact O-OH 2.91Å; E375-Y379 VanDerWaalsContact O-CZ 3.26Å; E375-Y379 PolarHBondContact O-OH 3.48Å; I377-Y379 WeakPolarHBondContact O-CD2 3.38Å; I377-Y379 VanDerWaalsContact O-CE2 3.29Å; I377-Y379 WeakPolarHBondContact O-CE2 3Å; I377-Y379 PolarHBondContact O-N 3.25Å; I377-Y379 VanDerWaalsContact O-N 3.08Å; Y379-K381 VanDerWaalsContact C-N 3.3Å; Y379-K383 WeakPolarHBondContact O-CG 3.31Å; Y379-F388 WeakPolarHBondContact O-CE1 3.38Å; Y379-R392 PolarHBondContact OH-NH2 2.77Å; Y379-R392 VanDerWaalsContact OH-NH2 3.09Å
380	L	68.9	Low	79.1	Confident	110 Å²	110	84.8 Å²	84.8	58%	0.576	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.2	176.7	-63.8	172.4	0	0	0	111.7	D378 D382 K383 V389	D378-L380 PolarHBondContact O-N 2.86Å; D378-L380 WeakPolarHBondContact OD1-CB 3.39Å; D378-L380 PolarHBondContact OD1-N 3.06Å; L380-D382 PolarHBondContact O-N 3.48Å; L380-K383 PolarHBondContact O-N 3.4Å; L380-V389 HydrophobicContact CD2-CG2 3.55Å
381	K	66.3	Low	79	Confident	140 Å²	140	83.8 Å²	83.8	61%	0.609	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	127.1	176.3	-160.6	176.9	178.6	-177.5	0	109.7	D378 Y379 K383	D378-K381 WeakPolarHBondContact O-CB 3.23Å; D378-K381 PolarHBondContact O-N 3.11Å; Y379-K381 VanDerWaalsContact C-N 3.3Å; K381-K383 PolarHBondContact O-N 3.45Å; K381-K383 VanDerWaalsContact O-N 3.14Å
382	D	64.3	Low	79	Confident	103 Å²	103	83.5 Å²	83.5	55%	0.551	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	7.1	178.4	-44.7	-40.1	0	0	0	116.7	A155 L380	A155-D382 HydrophobicContact CB-CB 4.35Å; L380-D382 PolarHBondContact O-N 3.48Å
383	K	65.2	Low	78.9	Confident	73 Å²	73	90.6 Å²	90.6	32%	0.317	45%	0.451	S	S	.	.			trans	-100.9	108.7	178.5	-61.4	-57.8	-178.8	-170.4	0	111.4	Y362 N363 Y379 L380 K381 F388	Y362-K383 PolarHBondContact O-NZ 2.7Å; N363-K383 PolarHBondContact O-NZ 3.09Å; Y379-K383 WeakPolarHBondContact O-CG 3.31Å; L380-K383 PolarHBondContact O-N 3.4Å; K381-K383 PolarHBondContact O-N 3.45Å; K381-K383 VanDerWaalsContact O-N 3.14Å; K383-F388 HydrophobicContact CB-CD1 4.06Å; K383-F388 HydrophobicContact CB-CE1 4.38Å; K383-F388 HydrophobicContact CB-CG 4.49Å; K383-F388 HydrophobicContact CG-CD1 4.16Å; K383-F388 HydrophobicContact CG-CE1 4Å; K383-F388 HydrophobicContact CG-CZ 4.32Å
384	V	60.4	Low	79	Confident	143 Å²	143	91.3 Å²	91.3	87%	0.867	46%	0.461	S	S	*	.			trans	-87.7	-17.9	-176	-169	0	0	0	0	113	T386	V384-T386 PolarHBondContact O-N 2.74Å
385	Q	71.4	Confident	79.3	Confident	89 Å²	89	88.7 Å²	88.7	42%	0.416	44%	0.442	S	S	.	.			trans	-77	121	-174.5	-67.4	-174.2	23.3	0	0	112.4	K361 Y362 T387 F388	K361-Q385 PolarHBondContact O-NE2 2.71Å; Y362-Q385 HydrophobicContact CE1-CB 4.03Å; Q385-T387 PolarHBondContact O-N 2.91Å; Q385-F388 VanDerWaalsContact O-CB 3.28Å; Q385-F388 WeakPolarHBondContact O-CB 3.42Å; Q385-F388 PolarHBondContact O-N 3.48Å; Q385-F388 VanDerWaalsContact O-N 3.11Å
386	T	77.1	Confident	79.8	Confident	140 Å²	140	90.7 Å²	90.7	86%	0.859	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.3	-178.1	54.2	0	0	0	0	113.8	V384	V384-T386 PolarHBondContact O-N 2.74Å
387	T	85.9	Confident	80.8	Confident	61 Å²	61	88.2 Å²	88.2	37%	0.374	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.7	179.4	55.3	0	0	0	0	113.8	Y362 Q385 V389 K390 D391	Y362-T387 PolarHBondContact OH-OG1 3.43Å; Q385-T387 PolarHBondContact O-N 2.91Å; T387-V389 PolarHBondContact O-N 3.4Å; T387-K390 PolarHBondContact O-N 2.76Å; T387-K390 VanDerWaalsContact O-N 3.12Å; T387-D391 PolarHBondContact O-N 2.72Å
388	F	87.7	Confident	82	Confident	4 Å²	4	87.5 Å²	87.5	2%	0.018	43%	0.43	C	S	.	.	H	α-helix	trans	-56	-46.1	-169.9	174.3	-114.6	0	0	0	113.3	F358 Y362 Y379 K383 Q385 K390 D391 R392	F358-F388 HydrophobicContact CZ-CE2 4.48Å; Y362-F388 HydrophobicContact CD1-CB 4.12Å; Y362-F388 AromaticContact CD1-CD2 3.37Å; Y362-F388 HydrophobicContact CD1-CD2 3.37Å; Y362-F388 HydrophobicContact CD1-CE2 4.19Å; Y362-F388 HydrophobicContact CD1-CG 4.14Å; Y362-F388 HydrophobicContact CD2-CD2 4.08Å; Y362-F388 HydrophobicContact CD2-CE2 4.5Å; Y362-F388 HydrophobicContact CE1-CB 3.7Å; Y362-F388 AromaticContact CE1-CD2 3.68Å; Y362-F388 HydrophobicContact CE1-CD2 3.68Å; Y362-F388 HydrophobicContact CE1-CG 4.17Å; Y362-F388 HydrophobicContact CE2-CD2 4.36Å; Y362-F388 AromaticContact CG-CD2 3.58Å; Y362-F388 HydrophobicContact CG-CD2 3.58Å; Y362-F388 HydrophobicContact CG-CE2 4Å; Y379-F388 WeakPolarHBondContact O-CE1 3.38Å; K383-F388 HydrophobicContact CB-CD1 4.06Å; K383-F388 HydrophobicContact CB-CE1 4.38Å; K383-F388 HydrophobicContact CB-CG 4.49Å; K383-F388 HydrophobicContact CG-CD1 4.16Å; K383-F388 HydrophobicContact CG-CE1 4Å; K383-F388 HydrophobicContact CG-CZ 4.32Å; Q385-F388 VanDerWaalsContact O-CB 3.28Å; Q385-F388 WeakPolarHBondContact O-CB 3.42Å; Q385-F388 PolarHBondContact O-N 3.48Å; Q385-F388 VanDerWaalsContact O-N 3.11Å; F388-K390 VanDerWaalsContact C-N 3.31Å; F388-K390 PolarHBondContact O-N 3.31Å; F388-D391 PolarHBondContact O-N 3.38Å; F388-R392 HydrophobicContact CE2-CB 4.33Å; F388-R392 HydrophobicContact CZ-CB 4.47Å; F388-R392 WeakPolarHBondContact O-CB 3.26Å; F388-R392 PolarHBondContact O-N 3.44Å
389	V	87	Confident	83.3	Confident	62 Å²	62	82.5 Å²	82.5	38%	0.376	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-39.9	-178.3	179.9	0	0	0	0	111.5	L380 T387 R393	L380-V389 HydrophobicContact CD2-CG2 3.55Å; T387-V389 PolarHBondContact O-N 3.4Å; V389-R393 VanDerWaalsContact O-CG 3.3Å; V389-R393 WeakPolarHBondContact O-CG 3.35Å; V389-R393 PolarHBondContact O-N 2.94Å
390	K	89.9	Confident	84.6	Confident	163 Å²	163	84.2 Å²	84.2	71%	0.709	41%	0.412	S	S	*	.	H	α-helix	trans	-67.9	-51.1	178.6	-177	-175.9	174.6	-173.3	0	110.4	T387 F388 R392 R393 A394	T387-K390 PolarHBondContact O-N 2.76Å; T387-K390 VanDerWaalsContact O-N 3.12Å; F388-K390 VanDerWaalsContact C-N 3.31Å; F388-K390 PolarHBondContact O-N 3.31Å; K390-R392 PolarHBondContact O-N 2.74Å; K390-R393 PolarHBondContact O-N 2.82Å; K390-A394 PolarHBondContact O-N 3.46Å
391	D	92.6	Very high	86	Confident	44 Å²	44	84.4 Å²	84.4	24%	0.235	41%	0.411	C	S	.	.	H	α-helix	trans	-64.6	-40.5	-178.2	-70.9	9.6	0	0	0	111.2	F358 K361 Y362 T387 F388 R393 A394 M395	F358-D391 HydrophobicContact CE2-CB 4.47Å; K361-D391 IonicContact NZ-OD2 2.81Å; K361-D391 PolarHBondContact NZ-OD2 2.81Å; Y362-D391 HydrophobicContact CE2-CB 3.74Å; Y362-D391 WeakPolarHBondContact OH-CB 3.44Å; Y362-D391 PolarHBondContact OH-OD2 3.11Å; T387-D391 PolarHBondContact O-N 2.72Å; F388-D391 PolarHBondContact O-N 3.38Å; D391-R393 PolarHBondContact O-N 3.23Å; D391-A394 PolarHBondContact O-N 3.27Å; D391-M395 WeakPolarHBondContact O-CB 3.47Å; D391-M395 PolarHBondContact O-N 3.04Å
392	R	92.2	Very high	87.5	Confident	43 Å²	43	77.8 Å²	77.8	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-62.2	-41.4	175.4	-176.9	-179.2	176.1	-80.4	-4.4	112	F358 Y372 F373 Y379 F388 K390 M395 K396	F358-R392 HydrophobicContact CE2-CB 4.37Å; F358-R392 HydrophobicContact CZ-CB 4.23Å; F358-R392 HydrophobicContact CZ-CG 4.38Å; Y372-R392 WeakPolarHBondContact OH-CD 3.46Å; Y372-R392 PolarHBondContact OH-NE 3.35Å; F373-R392 HydrophobicContact CE1-CG 4.36Å; Y379-R392 PolarHBondContact OH-NH2 2.77Å; Y379-R392 VanDerWaalsContact OH-NH2 3.09Å; F388-R392 HydrophobicContact CE2-CB 4.33Å; F388-R392 HydrophobicContact CZ-CB 4.47Å; F388-R392 WeakPolarHBondContact O-CB 3.26Å; F388-R392 PolarHBondContact O-N 3.44Å; K390-R392 PolarHBondContact O-N 2.74Å; R392-M395 PolarHBondContact O-N 3.49Å; R392-K396 WeakPolarHBondContact O-CB 3.4Å; R392-K396 PolarHBondContact O-N 2.75Å
393	R	91.4	Very high	89.1	Confident	156 Å²	156	75.1 Å²	75.1	59%	0.589	37%	0.365	S	S	*	.	H	α-helix	trans	-66.3	-41.4	176.2	-75.9	177.5	-175.6	-176.7	2.6	111.7	V389 K390 D391 R397	V389-R393 VanDerWaalsContact O-CG 3.3Å; V389-R393 WeakPolarHBondContact O-CG 3.35Å; V389-R393 PolarHBondContact O-N 2.94Å; K390-R393 PolarHBondContact O-N 2.82Å; D391-R393 PolarHBondContact O-N 3.23Å; R393-R397 WeakPolarHBondContact O-CG 3.31Å; R393-R397 PolarHBondContact O-N 3.47Å
394	A	95	Very high	90.6	Very high	36 Å²	36	76.4 Å²	76.4	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-60.4	-51.5	172.9	0	0	0	0	0	111.1	K390 D391 K396 R397 E398	K390-A394 PolarHBondContact O-N 3.46Å; D391-A394 PolarHBondContact O-N 3.27Å; A394-K396 VanDerWaalsContact C-N 3.31Å; A394-K396 PolarHBondContact O-N 3.16Å; A394-R397 WeakPolarHBondContact O-CB 3.47Å; A394-R397 PolarHBondContact O-N 3.27Å; A394-E398 PolarHBondContact O-N 3.4Å
395	M	96.4	Very high	92.4	Very high	13 Å²	13	73.5 Å²	73.5	6%	0.064	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-38.4	179.8	-170.1	50.7	56.9	0	0	112.8	F351 R354 W355 F358 F373 D391 R392 R397 E398 Y399	F351-M395 HydrophobicContact CE2-SD 4.27Å; F351-M395 HydrophobicContact CZ-SD 4.05Å; R354-M395 HydrophobicContact CB-CE 3.94Å; W355-M395 HydrophobicContact CE3-CG 3.79Å; W355-M395 HydrophobicContact CE3-SD 3.87Å; W355-M395 HydrophobicContact CZ3-CG 3.83Å; F358-M395 HydrophobicContact CB-CE 3.95Å; F358-M395 HydrophobicContact CD1-CG 3.96Å; F358-M395 HydrophobicContact CD2-CB 4.06Å; F358-M395 HydrophobicContact CD2-CE 4.41Å; F358-M395 HydrophobicContact CD2-CG 4.09Å; F358-M395 HydrophobicContact CE1-CG 4.18Å; F358-M395 HydrophobicContact CE2-CB 4.02Å; F358-M395 HydrophobicContact CE2-CG 4.31Å; F358-M395 HydrophobicContact CG-CB 4.41Å; F358-M395 HydrophobicContact CG-CE 4.24Å; F358-M395 HydrophobicContact CG-CG 3.92Å; F358-M395 HydrophobicContact CZ-CB 4.32Å; F358-M395 HydrophobicContact CZ-CG 4.36Å; F373-M395 HydrophobicContact CZ-CB 4.36Å; F373-M395 HydrophobicContact CZ-CG 4.04Å; D391-M395 WeakPolarHBondContact O-CB 3.47Å; D391-M395 PolarHBondContact O-N 3.04Å; R392-M395 PolarHBondContact O-N 3.49Å; M395-R397 VanDerWaalsContact C-N 3.34Å; M395-R397 PolarHBondContact O-N 3.1Å; M395-E398 PolarHBondContact O-N 2.73Å; M395-Y399 WeakPolarHBondContact O-CB 3.46Å; M395-Y399 PolarHBondContact O-N 3.19Å
396	K	95.5	Very high	93.6	Very high	84 Å²	84	69.2 Å²	69.2	37%	0.365	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-43.8	173.7	-174.3	171.8	179.1	172.4	0	111.5	F373 R392 A394 Y399 E400	F373-K396 HydrophobicContact CD1-CB 4.05Å; F373-K396 HydrophobicContact CD1-CD 4.21Å; F373-K396 HydrophobicContact CD1-CG 4.06Å; F373-K396 HydrophobicContact CE1-CB 3.67Å; F373-K396 HydrophobicContact CE1-CG 4.19Å; F373-K396 HydrophobicContact CG-CG 4.37Å; F373-K396 HydrophobicContact CZ-CB 4.03Å; R392-K396 WeakPolarHBondContact O-CB 3.4Å; R392-K396 PolarHBondContact O-N 2.75Å; A394-K396 VanDerWaalsContact C-N 3.31Å; A394-K396 PolarHBondContact O-N 3.16Å; K396-Y399 PolarHBondContact O-N 3.27Å; K396-E400 WeakPolarHBondContact O-CG 3.3Å; K396-E400 PolarHBondContact O-N 3.4Å
397	R	96.8	Very high	94.4	Very high	159 Å²	159	66.8 Å²	66.8	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-63.9	-45.7	177.6	-67.5	179.6	-168.2	117.2	-5	111.7	R393 A394 M395 Y399 E400 E401	R393-R397 WeakPolarHBondContact O-CG 3.31Å; R393-R397 PolarHBondContact O-N 3.47Å; A394-R397 WeakPolarHBondContact O-CB 3.47Å; A394-R397 PolarHBondContact O-N 3.27Å; M395-R397 VanDerWaalsContact C-N 3.34Å; M395-R397 PolarHBondContact O-N 3.1Å; R397-Y399 PolarHBondContact O-N 3.35Å; R397-E400 PolarHBondContact O-N 2.68Å; R397-E400 VanDerWaalsContact O-N 3.17Å; R397-E401 WeakPolarHBondContact O-CG 3.28Å; R397-E401 PolarHBondContact O-N 3.08Å
398	E	97.1	Very high	94.9	Very high	60 Å²	60	66.7 Å²	66.7	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-59.4	-36.2	176.4	-68.4	-178.9	-166.7	0	0	112	F351 R354 A394 M395 E401 F402	F351-E398 HydrophobicContact CE2-CB 4.1Å; R354-E398 WeakPolarHBondContact CD-OE2 3.1Å; A394-E398 PolarHBondContact O-N 3.4Å; M395-E398 PolarHBondContact O-N 2.73Å; E398-E401 PolarHBondContact O-N 3.15Å; E398-F402 WeakPolarHBondContact O-CB 3.49Å; E398-F402 PolarHBondContact O-N 2.74Å
399	Y	98.1	Very high	95.2	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-68.1	-42.7	175.2	-176.9	-115.1	0	0	0	112.9	N313 F351 P369 E370 F373 M395 K396 R397 E401 F402 K403	N313-Y399 PolarHBondContact ND2-OH 2.6Å; N313-Y399 PolarHBondContact OD1-OH 2.8Å; F351-Y399 AromaticContact CE1-CD2 3.9Å; F351-Y399 HydrophobicContact CE1-CD2 3.9Å; F351-Y399 AromaticContact CZ-CD2 3.76Å; F351-Y399 HydrophobicContact CZ-CD2 3.76Å; F351-Y399 HydrophobicContact CZ-CG 4.35Å; P369-Y399 HydrophobicContact CB-CD1 4.32Å; P369-Y399 HydrophobicContact CB-CD2 3.61Å; P369-Y399 HydrophobicContact CB-CE1 4.21Å; P369-Y399 HydrophobicContact CB-CE2 3.52Å; P369-Y399 HydrophobicContact CB-CG 4.03Å; P369-Y399 HydrophobicContact CG-CD2 4.12Å; P369-Y399 HydrophobicContact CG-CE2 3.89Å; E370-Y399 HydrophobicContact CB-CE1 4.42Å; E370-Y399 WeakPolarHBondContact CB-OH 3.07Å; E370-Y399 WeakPolarHBondContact OE2-CE1 3.29Å; E370-Y399 PolarHBondContact OE2-OH 2.71Å; F373-Y399 AromaticContact CD2-CD1 3.67Å; F373-Y399 HydrophobicContact CD2-CD1 3.67Å; F373-Y399 HydrophobicContact CD2-CE1 4.32Å; F373-Y399 HydrophobicContact CD2-CG 4.11Å; F373-Y399 HydrophobicContact CE2-CD1 4.04Å; F373-Y399 AromaticContact CE2-CG 3.99Å; F373-Y399 HydrophobicContact CE2-CG 3.99Å; M395-Y399 WeakPolarHBondContact O-CB 3.46Å; M395-Y399 PolarHBondContact O-N 3.19Å; K396-Y399 PolarHBondContact O-N 3.27Å; R397-Y399 PolarHBondContact O-N 3.35Å; Y399-E401 VanDerWaalsContact C-N 3.33Å; Y399-E401 PolarHBondContact O-N 2.7Å; Y399-F402 AromaticContact CD2-CD1 3.94Å; Y399-F402 HydrophobicContact CD2-CD1 3.94Å; Y399-F402 AromaticContact CE2-CD1 3.81Å; Y399-F402 HydrophobicContact CE2-CD1 3.81Å; Y399-F402 HydrophobicContact CE2-CE1 4.27Å; Y399-F402 WeakPolarHBondContact O-CB 3.45Å; Y399-F402 PolarHBondContact O-N 3.3Å; Y399-K403 HydrophobicContact CD1-CD 4.15Å; Y399-K403 HydrophobicContact CE1-CD 3.57Å; Y399-K403 HydrophobicContact CE1-CG 4.08Å; Y399-K403 HydrophobicContact CE2-CG 4.34Å; Y399-K403 PolarHBondContact O-N 3.03Å
400	E	97.9	Very high	95.5	Very high	83 Å²	83	66.3 Å²	66.3	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-40.6	174.1	-62.7	-56.8	161.8	0	0	111.4	K396 R397 F402 K403 V404	K396-E400 WeakPolarHBondContact O-CG 3.3Å; K396-E400 PolarHBondContact O-N 3.4Å; R397-E400 PolarHBondContact O-N 2.68Å; R397-E400 VanDerWaalsContact O-N 3.17Å; E400-F402 VanDerWaalsContact C-N 3.33Å; E400-F402 PolarHBondContact O-N 3.35Å; E400-K403 WeakPolarHBondContact O-CB 3.46Å; E400-K403 PolarHBondContact O-N 3.44Å; E400-V404 WeakPolarHBondContact O-CG2 3.12Å; E400-V404 PolarHBondContact O-N 3.03Å
401	E	97.7	Very high	95.6	Very high	115 Å²	115	61 Å²	61	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-40.2	173.2	-71.6	174.8	-168.6	0	0	111.9	R397 E398 Y399 V404 R405	R397-E401 WeakPolarHBondContact O-CG 3.28Å; R397-E401 PolarHBondContact O-N 3.08Å; E398-E401 PolarHBondContact O-N 3.15Å; Y399-E401 VanDerWaalsContact C-N 3.33Å; Y399-E401 PolarHBondContact O-N 2.7Å; E401-V404 PolarHBondContact O-N 3.26Å; E401-R405 WeakPolarHBondContact O-CG 3.31Å; E401-R405 PolarHBondContact O-N 3.31Å
402	F	98.2	Very high	95.6	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-45.1	172.8	171	-107.7	0	0	0	111.7	I309 A312 L316 E347 F351 E398 Y399 E400 V404 R405 I406	I309-F402 HydrophobicContact CD1-CD1 4.18Å; I309-F402 HydrophobicContact CD1-CE1 3.74Å; A312-F402 HydrophobicContact CB-CE1 4.14Å; A312-F402 HydrophobicContact CB-CZ 3.84Å; L316-F402 HydrophobicContact CD1-CE1 4.22Å; E347-F402 HydrophobicContact CB-CE2 4.06Å; F351-F402 HydrophobicContact CB-CD2 3.75Å; F351-F402 HydrophobicContact CB-CE2 3.99Å; F351-F402 HydrophobicContact CB-CG 4.18Å; F351-F402 HydrophobicContact CD1-CD1 4.26Å; F351-F402 HydrophobicContact CD1-CG 4.32Å; F351-F402 HydrophobicContact CD2-CB 3.88Å; F351-F402 HydrophobicContact CD2-CD2 4.44Å; F351-F402 HydrophobicContact CD2-CG 4.12Å; F351-F402 HydrophobicContact CE2-CB 4.21Å; F351-F402 HydrophobicContact CG-CB 4.22Å; F351-F402 HydrophobicContact CG-CD1 4.34Å; F351-F402 HydrophobicContact CG-CD2 4.03Å; F351-F402 AromaticContact CG-CG 3.93Å; F351-F402 HydrophobicContact CG-CG 3.93Å; E398-F402 WeakPolarHBondContact O-CB 3.49Å; E398-F402 PolarHBondContact O-N 2.74Å; Y399-F402 AromaticContact CD2-CD1 3.94Å; Y399-F402 HydrophobicContact CD2-CD1 3.94Å; Y399-F402 AromaticContact CE2-CD1 3.81Å; Y399-F402 HydrophobicContact CE2-CD1 3.81Å; Y399-F402 HydrophobicContact CE2-CE1 4.27Å; Y399-F402 WeakPolarHBondContact O-CB 3.45Å; Y399-F402 PolarHBondContact O-N 3.3Å; E400-F402 VanDerWaalsContact C-N 3.33Å; E400-F402 PolarHBondContact O-N 3.35Å; F402-V404 VanDerWaalsContact C-N 3.31Å; F402-V404 PolarHBondContact O-N 2.74Å; F402-R405 PolarHBondContact O-N 3.2Å; F402-R405 VanDerWaalsContact O-N 3.16Å; F402-I406 HydrophobicContact CD2-CD1 4.5Å; F402-I406 HydrophobicContact CD2-CG1 4.22Å; F402-I406 HydrophobicContact CE1-CG1 4.07Å; F402-I406 HydrophobicContact CE2-CD1 3.74Å; F402-I406 HydrophobicContact CE2-CG1 3.74Å; F402-I406 HydrophobicContact CZ-CD1 3.91Å; F402-I406 HydrophobicContact CZ-CG1 3.66Å; F402-I406 WeakPolarHBondContact O-CG1 2.99Å; F402-I406 PolarHBondContact O-N 3.38Å
403	K	97.4	Very high	95.4	Very high	47 Å²	47	62.9 Å²	62.9	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-43.9	174	-73.4	178.7	68.4	162.3	0	111.8	I309 E370 Y399 E400 R405 I406 N407	I309-K403 HydrophobicContact CD1-CG 3.9Å; I309-K403 HydrophobicContact CG1-CG 4.28Å; E370-K403 IonicContact OE1-NZ 2.72Å; E370-K403 PolarHBondContact OE1-NZ 3.24Å; E370-K403 WeakPolarHBondContact OE2-CE 3.37Å; E370-K403 IonicContact OE2-NZ 3.51Å; E370-K403 PolarHBondContact OE2-NZ 3.42Å; Y399-K403 HydrophobicContact CD1-CD 4.15Å; Y399-K403 HydrophobicContact CE1-CD 3.57Å; Y399-K403 HydrophobicContact CE1-CG 4.08Å; Y399-K403 HydrophobicContact CE2-CG 4.34Å; Y399-K403 PolarHBondContact O-N 3.03Å; E400-K403 WeakPolarHBondContact O-CB 3.46Å; E400-K403 PolarHBondContact O-N 3.44Å; K403-R405 PolarHBondContact O-N 2.63Å; K403-I406 PolarHBondContact O-N 3.21Å; K403-N407 WeakPolarHBondContact O-CB 3.44Å; K403-N407 VanDerWaalsContact O-CG 3.27Å; K403-N407 PolarHBondContact O-N 3.14Å; K403-N407 PolarHBondContact O-ND2 3.33Å
404	V	97.7	Very high	95.2	Very high	100 Å²	100	62.5 Å²	62.5	61%	0.606	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-43.7	176.6	173	0	0	0	0	111.3	E400 E401 F402 N407 A408	E400-V404 WeakPolarHBondContact O-CG2 3.12Å; E400-V404 PolarHBondContact O-N 3.03Å; E401-V404 PolarHBondContact O-N 3.26Å; F402-V404 VanDerWaalsContact C-N 3.31Å; F402-V404 PolarHBondContact O-N 2.74Å; V404-N407 PolarHBondContact O-N 2.99Å; V404-A408 PolarHBondContact O-N 3.37Å
405	R	97.8	Very high	94.8	Very high	82 Å²	82	69 Å²	69	31%	0.309	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-45.4	176.2	-68.9	-166.6	-58.7	-81.7	3.1	112.3	E347 E401 F402 K403 N407 A408 L409	E347-R405 WeakPolarHBondContact OE2-CD 3.24Å; E347-R405 IonicContact OE2-CZ 3.61Å; E347-R405 IonicContact OE2-NE 3.77Å; E347-R405 PolarHBondContact OE2-NE 3.13Å; E347-R405 IonicContact OE2-NH2 3.44Å; E401-R405 WeakPolarHBondContact O-CG 3.31Å; E401-R405 PolarHBondContact O-N 3.31Å; F402-R405 PolarHBondContact O-N 3.2Å; F402-R405 VanDerWaalsContact O-N 3.16Å; K403-R405 PolarHBondContact O-N 2.63Å; R405-N407 PolarHBondContact O-N 3.34Å; R405-A408 WeakPolarHBondContact O-CB 3.35Å; R405-A408 PolarHBondContact O-N 3.17Å; R405-L409 PolarHBondContact O-N 3.11Å; R405-L409 VanDerWaalsContact O-N 3.07Å
406	I	96.4	Very high	94.1	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-43.5	176.2	-63.2	-52.2	0	0	0	111.2	P308 I309 T344 E347 F402 K403 A408 L409 V410	P308-I406 HydrophobicContact CB-CG2 4.1Å; I309-I406 HydrophobicContact CB-CG2 4.16Å; I309-I406 HydrophobicContact CD1-CG1 4.43Å; T344-I406 HydrophobicContact CG2-CD1 4.01Å; E347-I406 HydrophobicContact CB-CD1 3.77Å; E347-I406 HydrophobicContact CG-CD1 4.37Å; F402-I406 HydrophobicContact CD2-CD1 4.5Å; F402-I406 HydrophobicContact CD2-CG1 4.22Å; F402-I406 HydrophobicContact CE1-CG1 4.07Å; F402-I406 HydrophobicContact CE2-CD1 3.74Å; F402-I406 HydrophobicContact CE2-CG1 3.74Å; F402-I406 HydrophobicContact CZ-CD1 3.91Å; F402-I406 HydrophobicContact CZ-CG1 3.66Å; F402-I406 WeakPolarHBondContact O-CG1 2.99Å; F402-I406 PolarHBondContact O-N 3.38Å; K403-I406 PolarHBondContact O-N 3.21Å; I406-A408 VanDerWaalsContact C-N 3.29Å; I406-A408 PolarHBondContact O-N 3.09Å; I406-L409 HydrophobicContact CD1-CD1 4.2Å; I406-L409 WeakPolarHBondContact O-CB 3.45Å; I406-L409 PolarHBondContact O-N 3.34Å; I406-L409 VanDerWaalsContact O-N 3.1Å; I406-V410 WeakPolarHBondContact O-CG2 3.42Å; I406-V410 PolarHBondContact O-N 3.12Å
407	N	94.5	Very high	93.6	Very high	88 Å²	88	72.8 Å²	72.8	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-35	176.9	-72.9	-15.2	0	0	0	112.3	K403 V404 R405 L409 V410 A411	K403-N407 WeakPolarHBondContact O-CB 3.44Å; K403-N407 VanDerWaalsContact O-CG 3.27Å; K403-N407 PolarHBondContact O-N 3.14Å; K403-N407 PolarHBondContact O-ND2 3.33Å; V404-N407 PolarHBondContact O-N 2.99Å; R405-N407 PolarHBondContact O-N 3.34Å; N407-L409 VanDerWaalsContact C-N 3.35Å; N407-V410 PolarHBondContact O-N 3.38Å; N407-A411 WeakPolarHBondContact O-CB 3.49Å; N407-A411 PolarHBondContact O-N 3.36Å
408	A	95.8	Very high	93	Very high	60 Å²	60	75 Å²	75	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-39.1	172.6	0	0	0	0	0	112	V404 R405 I406 A411 K412	V404-A408 PolarHBondContact O-N 3.37Å; R405-A408 WeakPolarHBondContact O-CB 3.35Å; R405-A408 PolarHBondContact O-N 3.17Å; I406-A408 VanDerWaalsContact C-N 3.29Å; I406-A408 PolarHBondContact O-N 3.09Å; A408-A411 PolarHBondContact O-N 3.15Å; A408-K412 WeakPolarHBondContact O-CB 3.23Å; A408-K412 PolarHBondContact O-N 2.88Å
409	L	94.3	Very high	92.4	Very high	28 Å²	28	81.1 Å²	81.1	15%	0.147	41%	0.408	C	S	.	.	H	α-helix	trans	-63.7	-43	172.7	-64.8	177.5	0	0	0	111.8	L340 D343 E347 R405 I406 N407 K412 A413	L340-L409 HydrophobicContact CD1-CB 3.82Å; D343-L409 HydrophobicContact CB-CD1 3.85Å; D343-L409 HydrophobicContact CB-CD2 4Å; E347-L409 HydrophobicContact CG-CD1 3.93Å; R405-L409 PolarHBondContact O-N 3.11Å; R405-L409 VanDerWaalsContact O-N 3.07Å; I406-L409 HydrophobicContact CD1-CD1 4.2Å; I406-L409 WeakPolarHBondContact O-CB 3.45Å; I406-L409 PolarHBondContact O-N 3.34Å; I406-L409 VanDerWaalsContact O-N 3.1Å; N407-L409 VanDerWaalsContact C-N 3.35Å; L409-K412 WeakPolarHBondContact O-CB 3.48Å; L409-K412 PolarHBondContact O-N 3.22Å; L409-A413 WeakPolarHBondContact O-CB 3.45Å; L409-A413 PolarHBondContact O-N 3.14Å
410	V	92.9	Very high	91.8	Very high	30 Å²	30	81.3 Å²	81.3	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-60.9	-46.4	176	174.8	0	0	0	0	111	P308 L340 I406 N407 K412 A413 Q414	P308-V410 HydrophobicContact CB-CG2 4.49Å; P308-V410 HydrophobicContact CG-CG2 3.74Å; L340-V410 HydrophobicContact CD1-CG2 4.22Å; I406-V410 WeakPolarHBondContact O-CG2 3.42Å; I406-V410 PolarHBondContact O-N 3.12Å; N407-V410 PolarHBondContact O-N 3.38Å; V410-K412 VanDerWaalsContact C-N 3.33Å; V410-K412 PolarHBondContact O-N 3.28Å; V410-A413 PolarHBondContact O-N 3.32Å; V410-A413 VanDerWaalsContact O-N 3.15Å; V410-Q414 WeakPolarHBondContact O-CG 3.08Å; V410-Q414 PolarHBondContact O-N 2.66Å
411	A	92.7	Very high	91.4	Very high	51 Å²	51	79.2 Å²	79.2	42%	0.421	40%	0.399	S	S	.	.	H	α-helix	trans	-63	-38.3	177.5	0	0	0	0	0	112.3	N407 A408	N407-A411 WeakPolarHBondContact O-CB 3.49Å; N407-A411 PolarHBondContact O-N 3.36Å; A408-A411 PolarHBondContact O-N 3.15Å
412	K	91.1	Very high	91	Very high	107 Å²	107	77.6 Å²	77.6	47%	0.465	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-46.2	171.7	-177.8	-176.2	173.8	-167.1	0	110.5	A408 L409 V410 Q414 K415 W421	A408-K412 WeakPolarHBondContact O-CB 3.23Å; A408-K412 PolarHBondContact O-N 2.88Å; L409-K412 WeakPolarHBondContact O-CB 3.48Å; L409-K412 PolarHBondContact O-N 3.22Å; V410-K412 VanDerWaalsContact C-N 3.33Å; V410-K412 PolarHBondContact O-N 3.28Å; K412-Q414 VanDerWaalsContact C-N 3.31Å; K412-Q414 PolarHBondContact O-N 3.08Å; K412-K415 CarbonylContact O-C 3.43Å; K412-K415 PolarHBondContact O-N 3.36Å; K412-W421 HydrophobicContact CD-CZ3 4.39Å; K412-W421 HydrophobicContact CG-CH2 3.84Å; K412-W421 HydrophobicContact CG-CZ3 4.04Å; K412-W421 WeakPolarHBondContact O-CH2 3.36Å
413	A	88.4	Confident	90.5	Very high	19 Å²	19	80.9 Å²	80.9	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-64.7	-31	-178.4	0	0	0	0	0	114	L340 L409 V410 K415	L340-A413 HydrophobicContact CB-CB 3.92Å; L340-A413 HydrophobicContact CD1-CB 3.97Å; L340-A413 HydrophobicContact CD2-CB 3.76Å; L340-A413 HydrophobicContact CG-CB 4.09Å; L409-A413 WeakPolarHBondContact O-CB 3.45Å; L409-A413 PolarHBondContact O-N 3.14Å; V410-A413 PolarHBondContact O-N 3.32Å; V410-A413 VanDerWaalsContact O-N 3.15Å; A413-K415 PolarHBondContact O-N 3.16Å
414	Q	87.2	Confident	89.8	Confident	148 Å²	148	88.7 Å²	88.7	69%	0.692	45%	0.45	S	S	*	.	H	α-helix	trans	-64.9	-25.1	173.1	-72.9	177	-10.1	0	0	112.8	V410 K412	V410-Q414 WeakPolarHBondContact O-CG 3.08Å; V410-Q414 PolarHBondContact O-N 2.66Å; K412-Q414 VanDerWaalsContact C-N 3.31Å; K412-Q414 PolarHBondContact O-N 3.08Å
415	K	87.4	Confident	89.3	Confident	173 Å²	173	89.3 Å²	89.3	75%	0.752	45%	0.45	S	S	*	.	S	Bend	trans	-100.9	63.9	175.8	-62.2	-180	-177.3	178.4	0	110.3	K412 A413 P417	K412-K415 CarbonylContact O-C 3.43Å; K412-K415 PolarHBondContact O-N 3.36Å; A413-K415 PolarHBondContact O-N 3.16Å; K415-P417 WeakPolarHBondContact O-CD 2.83Å
416	K	81.3	Confident	88.7	Confident	122 Å²	122	88 Å²	88	53%	0.53	46%	0.462	S	S	.	.			trans	-58.3	123.5	177	-172.4	-179.6	178.9	179.4	0	109.6	N432	K416-N432 PolarHBondContact NZ-O 3.31Å
417	P	85.7	Confident	88.4	Confident	55 Å²	55	90.9 Å²	90.9	36%	0.357	48%	0.48	S	S	.	.			trans	-60	146	173.3	-20.7	31.4	0	0	0	111.1	K415 E419 G420 W421	K415-P417 WeakPolarHBondContact O-CD 2.83Å; P417-E419 VanDerWaalsContact C-N 3.29Å; P417-E419 PolarHBondContact O-N 2.95Å; P417-G420 PolarHBondContact O-N 2.88Å; P417-W421 HydrophobicContact CG-CE3 4.04Å; P417-W421 HydrophobicContact CG-CH2 4.26Å; P417-W421 HydrophobicContact CG-CZ3 3.89Å
418	E	82.8	Confident	88.3	Confident	205 Å²	205	91.1 Å²	91.1	96%	0.958	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-39.5	179.6	-65.2	-172	167.7	0	0	111.9	G420	E418-G420 PolarHBondContact O-N 2.88Å
419	E	84.2	Confident	88.2	Confident	188 Å²	188	88.8 Å²	88.8	88%	0.879	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.9	176.8	-61.5	-178.8	173.6	0	0	113.4	P417	P417-E419 VanDerWaalsContact C-N 3.29Å; P417-E419 PolarHBondContact O-N 2.95Å
420	G	86.2	Confident	88.1	Confident	7 Å²	7	89.6 Å²	89.6	7%	0.072	47%	0.472	C	S	.	.			trans	89.3	177.6	-174.5	0	0	0	0	0	113.9	P417 E418	P417-G420 PolarHBondContact O-N 2.88Å; E418-G420 PolarHBondContact O-N 2.88Å
421	W	90	Very high	87.9	Confident	39 Å²	39	88.4 Å²	88.4	15%	0.148	47%	0.465	C	S	.	.			trans	-73.4	146.3	176.2	-62.1	110.1	0	0	0	110.8	M339 K412 P417 W429 N432	M339-W421 HydrophobicContact CB-CB 4.4Å; M339-W421 HydrophobicContact CB-CD2 4.47Å; M339-W421 HydrophobicContact CB-CG 4Å; M339-W421 HydrophobicContact CE-CB 3.94Å; M339-W421 HydrophobicContact CG-CB 4.48Å; M339-W421 HydrophobicContact CG-CG 4.32Å; K412-W421 HydrophobicContact CD-CZ3 4.39Å; K412-W421 HydrophobicContact CG-CH2 3.84Å; K412-W421 HydrophobicContact CG-CZ3 4.04Å; K412-W421 WeakPolarHBondContact O-CH2 3.36Å; P417-W421 HydrophobicContact CG-CE3 4.04Å; P417-W421 HydrophobicContact CG-CH2 4.26Å; P417-W421 HydrophobicContact CG-CZ3 3.89Å; W421-W429 HydrophobicContact CB-CB 3.7Å; W421-W429 HydrophobicContact CB-CG 4.27Å; W421-W429 WeakPolarHBondContact O-CB 3.29Å; W421-W429 PolarHBondContact O-N 3.32Å; W421-N432 PolarHBondContact N-ND2 3.38Å; W421-N432 PolarHBondContact N-OD1 3.5Å; W421-N432 PolarHBondContact O-ND2 3Å
422	V	89.7	Confident	87.8	Confident	80 Å²	80	87.6 Å²	87.6	49%	0.485	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-121.8	138.6	176.5	-172.8	0	0	0	0	107.8	G426 T427	V422-G426 WeakPolarHBondContact CG1-O 3.42Å; V422-T427 CarbonylContact C-O 3.59Å; V422-T427 WeakPolarHBondContact CA-O 3.16Å; V422-T427 WeakPolarHBondContact CG1-O 3.49Å
423	M	87	Confident	87.8	Confident	70 Å²	70	86.4 Å²	86.4	35%	0.345	45%	0.453	S	S	.	.			trans	-74.6	169.5	175.3	-67.8	-176.3	65.1	0	0	111	M339 D425 G426 T427 W429	M339-M423 HydrophobicContact CE-CG 4.4Å; M423-D425 VanDerWaalsContact CB-OD1 3.29Å; M423-D425 WeakPolarHBondContact CB-OD1 3.41Å; M423-D425 PolarHBondContact O-N 3.1Å; M423-G426 PolarHBondContact O-N 3.07Å; M423-G426 VanDerWaalsContact O-N 3.08Å; M423-T427 PolarHBondContact N-O 3.35Å; M423-W429 HydrophobicContact CG-CE3 3.87Å; M423-W429 HydrophobicContact SD-CE3 3.96Å; M423-W429 HydrophobicContact SD-CZ3 4.35Å
424	Q	82.5	Confident	87.7	Confident	211 Å²	211	88.9 Å²	88.9	99%	0.986	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.4	-178.9	-67	-177.9	-4.6	0	0	113.7	G426	Q424-G426 VanDerWaalsContact C-N 3.27Å
425	D	86.6	Confident	87.7	Confident	112 Å²	112	91.2 Å²	91.2	60%	0.599	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	1.9	177.7	65	-3.2	0	0	0	113.6	M423 T427	M423-D425 VanDerWaalsContact CB-OD1 3.29Å; M423-D425 WeakPolarHBondContact CB-OD1 3.41Å; M423-D425 PolarHBondContact O-N 3.1Å; D425-T427 VanDerWaalsContact C-N 3.33Å; D425-T427 WeakPolarHBondContact OD1-CB 3.13Å; D425-T427 PolarHBondContact OD1-N 2.85Å; D425-T427 PolarHBondContact OD1-OG1 3.36Å; D425-T427 PolarHBondContact OD2-OG1 2.64Å
426	G	87	Confident	88	Confident	54 Å²	54	86 Å²	86	56%	0.557	45%	0.448	S	S	*	.	S	Bend	trans	85.2	-1.5	-178.2	0	0	0	0	0	114.5	V422 M423 Q424	V422-G426 WeakPolarHBondContact CG1-O 3.42Å; M423-G426 PolarHBondContact O-N 3.07Å; M423-G426 VanDerWaalsContact O-N 3.08Å; Q424-G426 VanDerWaalsContact C-N 3.27Å
427	T	90	Very high	88.6	Confident	61 Å²	61	80.1 Å²	80.1	37%	0.374	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-78.8	146.1	176	64.7	0	0	0	0	111.6	V422 M423 D425	V422-T427 CarbonylContact C-O 3.59Å; V422-T427 WeakPolarHBondContact CA-O 3.16Å; V422-T427 WeakPolarHBondContact CG1-O 3.49Å; M423-T427 PolarHBondContact N-O 3.35Å; D425-T427 VanDerWaalsContact C-N 3.33Å; D425-T427 WeakPolarHBondContact OD1-CB 3.13Å; D425-T427 PolarHBondContact OD1-N 2.85Å; D425-T427 PolarHBondContact OD1-OG1 3.36Å; D425-T427 PolarHBondContact OD2-OG1 2.64Å
428	P	91.8	Very high	89	Confident	94 Å²	94	80.2 Å²	80.2	61%	0.61	42%	0.424	S	S	*	.	B	Isolated β-bridge	trans	-65.6	137.9	176.7	27	-33.9	0	0	0	110.7	P430	P428-P430 WeakPolarHBondContact O-CD 3.27Å
429	W	93.9	Very high	89.5	Confident	10 Å²	10	71 Å²	71	4%	0.038	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-57.9	122.5	176.3	176.6	-116.7	0	0	0	110.5	A337 M339 F342 W421 M423 G431 N432 M440	A337-W429 PolarHBondContact O-NE1 3.39Å; M339-W429 HydrophobicContact CE-CB 3.67Å; M339-W429 HydrophobicContact CE-CD2 3.43Å; M339-W429 VanDerWaalsContact CE-CD2 3.43Å; M339-W429 HydrophobicContact CE-CE3 3.37Å; M339-W429 HydrophobicContact CE-CG 3.58Å; M339-W429 HydrophobicContact CE-CZ3 4.14Å; M339-W429 HydrophobicContact SD-CD2 4.03Å; M339-W429 HydrophobicContact SD-CE3 3.92Å; M339-W429 HydrophobicContact SD-CH2 4.45Å; M339-W429 HydrophobicContact SD-CZ3 4.13Å; F342-W429 HydrophobicContact CB-CH2 4.04Å; F342-W429 HydrophobicContact CB-CZ2 4.34Å; F342-W429 HydrophobicContact CD1-CH2 4.4Å; F342-W429 AromaticContact CD2-CH2 3.75Å; F342-W429 HydrophobicContact CD2-CH2 3.75Å; F342-W429 HydrophobicContact CD2-CZ3 4.41Å; F342-W429 HydrophobicContact CE2-CH2 4.28Å; F342-W429 AromaticContact CG-CH2 3.8Å; F342-W429 HydrophobicContact CG-CH2 3.8Å; F342-W429 HydrophobicContact CG-CZ3 4.39Å; W421-W429 HydrophobicContact CB-CB 3.7Å; W421-W429 HydrophobicContact CB-CG 4.27Å; W421-W429 WeakPolarHBondContact O-CB 3.29Å; W421-W429 PolarHBondContact O-N 3.32Å; M423-W429 HydrophobicContact CG-CE3 3.87Å; M423-W429 HydrophobicContact SD-CE3 3.96Å; M423-W429 HydrophobicContact SD-CZ3 4.35Å; W429-G431 VanDerWaalsContact CD1-C 3.43Å; W429-G431 VanDerWaalsContact CD1-CA 3.5Å; W429-G431 PolarHBondContact O-N 2.76Å; W429-G431 VanDerWaalsContact O-N 3.15Å; W429-N432 WeakPolarHBondContact O-CB 3.33Å; W429-N432 VanDerWaalsContact O-CG 3.29Å; W429-N432 PolarHBondContact O-N 2.74Å; W429-N432 PolarHBondContact O-ND2 3.48Å; W429-M440 HydrophobicContact CH2-CE 4.44Å; W429-M440 HydrophobicContact CH2-SD 4.01Å; W429-M440 HydrophobicContact CZ2-CE 4.03Å; W429-M440 HydrophobicContact CZ2-SD 4.12Å; W429-M440 HydrophobicContact CZ3-SD 4.37Å
430	P	91.4	Very high	90	Very high	46 Å²	46	63.3 Å²	63.3	30%	0.299	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-59.4	-32.9	-176.4	-23.9	32.3	0	0	0	112.9	P428 N432 H437 P438 M440	P428-P430 WeakPolarHBondContact O-CD 3.27Å; P430-N432 PolarHBondContact O-N 2.96Å; P430-H437 VanDerWaalsContact O-CB 3.23Å; P430-H437 WeakPolarHBondContact O-CB 3.43Å; P430-P438 HydrophobicContact CB-CG 3.95Å; P430-M440 HydrophobicContact CB-SD 3.81Å; P430-M440 HydrophobicContact CG-SD 3.94Å
431	G	90.1	Very high	90.4	Very high	4 Å²	4	64 Å²	64	4%	0.041	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-77.8	7.5	178.2	0	0	0	0	0	115.4	A337 W429 N433	A337-G431 WeakPolarHBondContact O-CA 3.46Å; W429-G431 VanDerWaalsContact CD1-C 3.43Å; W429-G431 VanDerWaalsContact CD1-CA 3.5Å; W429-G431 PolarHBondContact O-N 2.76Å; W429-G431 VanDerWaalsContact O-N 3.15Å; G431-N433 PolarHBondContact O-N 3.43Å
432	N	90.5	Very high	90.5	Very high	35 Å²	35	66.1 Å²	66.1	19%	0.187	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-57	-31.7	173.2	-83.1	-27.4	0	0	0	112.3	K416 W421 W429 P430	K416-N432 PolarHBondContact NZ-O 3.31Å; W421-N432 PolarHBondContact N-ND2 3.38Å; W421-N432 PolarHBondContact N-OD1 3.5Å; W421-N432 PolarHBondContact O-ND2 3Å; W429-N432 WeakPolarHBondContact O-CB 3.33Å; W429-N432 VanDerWaalsContact O-CG 3.29Å; W429-N432 PolarHBondContact O-N 2.74Å; W429-N432 PolarHBondContact O-ND2 3.48Å; P430-N432 PolarHBondContact O-N 2.96Å
433	N	89.4	Confident	90.7	Very high	82 Å²	82	64.7 Å²	64.7	44%	0.439	35%	0.353	S	S	.	.	S	Bend	trans	-105.2	101.1	166.6	-172.7	-11.5	0	0	0	110.4	G431 R435 D436 H437	G431-N433 PolarHBondContact O-N 3.43Å; N433-R435 PolarHBondContact O-N 3.16Å; N433-R435 VanDerWaalsContact O-N 3.08Å; N433-R435 PolarHBondContact OD1-N 3.31Å; N433-R435 VanDerWaalsContact OD1-N 3.11Å; N433-D436 WeakPolarHBondContact ND2-CB 3.45Å; N433-D436 CarbonylContact O-C 3.4Å; N433-D436 PolarHBondContact O-N 3.4Å; N433-D436 PolarHBondContact OD1-N 2.63Å; N433-H437 PolarHBondContact O-CD2 3.12Å
434	T	86.8	Confident	90.9	Very high	70 Å²	70	62.8 Å²	62.8	43%	0.429	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.9	-177.4	63.9	0	0	0	0	114.5	G336 K468	G336-T434 WeakPolarHBondContact O-CG2 3.23Å; T434-K468 WeakPolarHBondContact O-CD 3.46Å
435	R	86.9	Confident	91.4	Very high	198 Å²	198	52.8 Å²	52.8	75%	0.747	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-12.4	177.1	-64.3	-175.1	175.5	-174.8	-1.3	113.4	N433 K468 R469	N433-R435 PolarHBondContact O-N 3.16Å; N433-R435 VanDerWaalsContact O-N 3.08Å; N433-R435 PolarHBondContact OD1-N 3.31Å; N433-R435 VanDerWaalsContact OD1-N 3.11Å; R435-K468 CarbonylContact O-C 3.49Å; R435-R469 CarbonylContact O-C 3.53Å
436	D	93.3	Very high	91.4	Very high	62 Å²	62	47.7 Å²	47.7	33%	0.332	27%	0.269	S	S	.	.	S	Bend	trans	-145.2	89	-178.3	-168.9	5	0	0	0	110.3	N433 K468 R469 P470	N433-D436 WeakPolarHBondContact ND2-CB 3.45Å; N433-D436 CarbonylContact O-C 3.4Å; N433-D436 PolarHBondContact O-N 3.4Å; N433-D436 PolarHBondContact OD1-N 2.63Å; D436-K468 CarbonylContact C-O 3.56Å; D436-K468 VanDerWaalsContact CA-O 3.28Å; D436-K468 WeakPolarHBondContact CA-O 3.41Å; D436-R469 WeakPolarHBondContact OD1-CD 3.45Å; D436-R469 IonicContact OD1-CZ 3.37Å; D436-R469 IonicContact OD1-NE 3.64Å; D436-R469 IonicContact OD1-NH1 3.89Å; D436-R469 PolarHBondContact OD1-NH1 3.14Å; D436-P470 HydrophobicContact CB-CG 4.13Å
437	H	94.1	Very high	90.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-151.1	148.8	178.9	65.2	84.2	0	0	0	110.9	A337 P430 N433 S465 R466 K468 R469	A337-H437 WeakPolarHBondContact CB-NE2 3.1Å; P430-H437 VanDerWaalsContact O-CB 3.23Å; P430-H437 WeakPolarHBondContact O-CB 3.43Å; N433-H437 PolarHBondContact O-CD2 3.12Å; H437-S465 PolarHBondContact CE1-OG 2.89Å; H437-R466 PolarHBondContact CE1-O 2.65Å; H437-K468 PolarHBondContact N-O 3.48Å; H437-K468 PolarHBondContact O-N 3.23Å; H437-K468 VanDerWaalsContact O-O 3.13Å; H437-R469 VanDerWaalsContact C-NH1 3.26Å
438	P	94.4	Very high	89	Confident	57 Å²	57	58.2 Å²	58.2	37%	0.37	30%	0.297	S	S	.	.			trans	-64.6	164	173.7	29.9	-35.9	0	0	0	112	P430	P430-P438 HydrophobicContact CB-CG 3.95Å
439	G	94.6	Very high	88.1	Confident	12 Å²	12	55 Å²	55	12%	0.124	28%	0.282	C	S	.	.			trans	-65.3	133.4	167.5	0	0	0	0	0	110.7	S465	G439-S465 CarbonylContact C-O 3.5Å; G439-S465 VanDerWaalsContact CA-O 3.28Å; G439-S465 WeakPolarHBondContact CA-O 3.19Å
440	M	94	Very high	87.5	Confident	26 Å²	26	56.6 Å²	56.6	13%	0.128	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.7	-180	-60.2	177.6	-73.8	0	0	109.3	A337 W429 P430 Y463 S465	A337-M440 HydrophobicContact CB-CE 3.78Å; W429-M440 HydrophobicContact CH2-CE 4.44Å; W429-M440 HydrophobicContact CH2-SD 4.01Å; W429-M440 HydrophobicContact CZ2-CE 4.03Å; W429-M440 HydrophobicContact CZ2-SD 4.12Å; W429-M440 HydrophobicContact CZ3-SD 4.37Å; P430-M440 HydrophobicContact CB-SD 3.81Å; P430-M440 HydrophobicContact CG-SD 3.94Å; M440-Y463 HydrophobicContact CB-CE1 4.3Å; M440-S465 WeakPolarHBondContact CE-OG 3.35Å; M440-S465 PolarHBondContact N-O 2.71Å; M440-S465 PolarHBondContact O-N 2.89Å
441	I	94.5	Very high	87.4	Confident	22 Å²	22	59.9 Å²	59.9	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.1	176.1	-60.5	179.6	0	0	0	108	V462 Y463 V487 L491 A720 I721 I724	I441-V462 HydrophobicContact CG2-CG1 3.74Å; I441-Y463 VanDerWaalsContact CA-O 3.32Å; I441-Y463 WeakPolarHBondContact CA-O 3.35Å; I441-V487 HydrophobicContact CD1-CG1 4.03Å; I441-V487 HydrophobicContact CD1-CG2 3.97Å; I441-L491 HydrophobicContact CG2-CD1 4.47Å; I441-A720 HydrophobicContact CD1-CB 3.55Å; I441-I721 HydrophobicContact CD1-CG1 4.05Å; I441-I721 HydrophobicContact CG1-CG1 4.23Å; I441-I724 HydrophobicContact CD1-CD1 3.81Å; I441-I724 HydrophobicContact CG1-CD1 3.78Å
442	Q	92.9	Very high	87.5	Confident	83 Å²	83	60.1 Å²	60.1	39%	0.388	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.5	174.2	178.6	61.9	32	0	0	109.7	F342 Y444 V462 Y463	F342-Q442 HydrophobicContact CE2-CB 3.81Å; F342-Q442 HydrophobicContact CE2-CG 3.95Å; F342-Q442 HydrophobicContact CZ-CG 4.19Å; Q442-Y444 HydrophobicContact CB-CE2 4.2Å; Q442-Y444 HydrophobicContact CG-CD1 4.49Å; Q442-Y444 HydrophobicContact CG-CD2 4.16Å; Q442-Y444 HydrophobicContact CG-CE1 4.12Å; Q442-Y444 HydrophobicContact CG-CE2 3.78Å; Q442-V462 CarbonylContact O-C 3.57Å; Q442-V462 WeakPolarHBondContact O-CA 3.32Å; Q442-Y463 HydrophobicContact CB-CD1 4.34Å; Q442-Y463 PolarHBondContact N-O 2.87Å; Q442-Y463 PolarHBondContact O-N 3.24Å
443	V	92.9	Very high	87.5	Confident	50 Å²	50	63 Å²	63	30%	0.303	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.4	174.1	-175.7	0	0	0	0	108	L445 R460 V462	V443-L445 WeakPolarHBondContact CG1-O 3.4Å; V443-R460 HydrophobicContact CG1-CG 4.19Å; V443-V462 HydrophobicContact CG2-CG1 4.3Å; V443-V462 HydrophobicContact CG2-CG2 4.27Å
444	Y	92.4	Very high	87.5	Confident	29 Å²	29	64.3 Å²	64.3	11%	0.114	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-41.3	-178.3	-74	-79.5	0	0	0	112.8	F342 L345 Q442 L461	F342-Y444 VanDerWaalsContact CD2-OH 3.28Å; F342-Y444 WeakPolarHBondContact CD2-OH 3.49Å; F342-Y444 VanDerWaalsContact CE2-OH 3.24Å; F342-Y444 WeakPolarHBondContact CE2-OH 3.41Å; F342-Y444 WeakPolarHBondContact CG-OH 3.38Å; F342-Y444 WeakPolarHBondContact CZ-OH 3.28Å; F342-Y444 PolarHBondContact O-OH 3.09Å; L345-Y444 HydrophobicContact CB-CD2 4.24Å; L345-Y444 HydrophobicContact CB-CE2 3.76Å; L345-Y444 HydrophobicContact CD1-CE2 4.31Å; Q442-Y444 HydrophobicContact CB-CE2 4.2Å; Q442-Y444 HydrophobicContact CG-CD1 4.49Å; Q442-Y444 HydrophobicContact CG-CD2 4.16Å; Q442-Y444 HydrophobicContact CG-CE1 4.12Å; Q442-Y444 HydrophobicContact CG-CE2 3.78Å; Y444-L461 PolarHBondContact N-O 2.88Å
445	L	92.8	Very high	87.6	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	164	-176.2	-60.7	175.4	0	0	0	110.6	L319 A352 V443 A450 L458 P459 R460 L461	L319-L445 HydrophobicContact CD1-CD1 4Å; A352-L445 HydrophobicContact CB-CD1 4.34Å; V443-L445 WeakPolarHBondContact CG1-O 3.4Å; L445-A450 HydrophobicContact CD2-CB 4.16Å; L445-L458 HydrophobicContact CB-CB 4.48Å; L445-L458 HydrophobicContact CD1-CB 4.21Å; L445-L458 HydrophobicContact CD1-CD1 4.03Å; L445-L458 HydrophobicContact CD2-CD1 4.09Å; L445-P459 WeakPolarHBondContact CB-O 3.36Å; L445-R460 VanDerWaalsContact O-CA 3.26Å; L445-R460 WeakPolarHBondContact O-CA 3.39Å; L445-R460 WeakPolarHBondContact O-CG 3.36Å; L445-L461 HydrophobicContact CB-CB 4.1Å; L445-L461 HydrophobicContact CD1-CB 4.33Å; L445-L461 HydrophobicContact CG-CB 4.34Å; L445-L461 PolarHBondContact O-N 2.95Å
446	G	84.8	Confident	87.8	Confident	6 Å²	6	58.2 Å²	58.2	6%	0.062	32%	0.319	C	S	.	.	S	Bend	trans	113.1	-160.9	178.5	0	0	0	0	0	113.2	E448 G449	G446-E448 VanDerWaalsContact C-N 3.25Å; G446-E448 PolarHBondContact O-N 3.4Å; G446-G449 WeakPolarHBondContact O-CA 3.29Å; G446-G449 PolarHBondContact O-N 2.88Å
447	K	65.5	Low	87.8	Confident	165 Å²	165	58.3 Å²	58.3	72%	0.717	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.8	-17.7	-163.2	-93.2	-176.8	173.2	-176.1	0	121.9	E457	K447-E457 VanDerWaalsContact CA-OE1 3.3Å; K447-E457 WeakPolarHBondContact CA-OE1 3.47Å; K447-E457 PolarHBondContact N-OE1 3.17Å
448	E	62.8	Low	87.8	Confident	170 Å²	170	58.4 Å²	58.4	79%	0.794	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.2	16.5	170.8	-69.3	175.7	171.3	0	0	111.9	G446	G446-E448 VanDerWaalsContact C-N 3.25Å; G446-E448 PolarHBondContact O-N 3.4Å
449	G	71.6	Confident	87.9	Confident	28 Å²	28	55.9 Å²	55.9	29%	0.289	30%	0.302	S	S	.	.	S	Bend	trans	-95.2	-169.5	-175	0	0	0	0	0	113.8	G446	G446-G449 WeakPolarHBondContact O-CA 3.29Å; G446-G449 PolarHBondContact O-N 2.88Å
450	A	81.5	Confident	87.9	Confident	42 Å²	42	57.5 Å²	57.5	35%	0.347	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.4	133.1	-177.9	0	0	0	0	0	112.6	L445	L445-A450 HydrophobicContact CD2-CB 4.16Å
451	F	89.9	Confident	88	Confident	116 Å²	116	56.3 Å²	56.3	51%	0.509	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-78	157.4	170.4	-64.3	-87.2	0	0	0	111.2	R353 G455	R353-F451 PolarHBondContact NE-O 3.5Å; R353-F451 PolarHBondContact NH2-O 3.26Å; F451-G455 WeakPolarHBondContact CD1-O 3.34Å
452	D	91.8	Very high	88.1	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.043	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-66.2	173.9	169.7	74.6	19.5	0	0	0	111.9	R353 P357 D454 G455 N456 L458	R353-D452 WeakPolarHBondContact O-CB 3.3Å; P357-D452 HydrophobicContact CG-CB 3.61Å; P357-D452 WeakPolarHBondContact CG-OD2 3.47Å; D452-D454 PolarHBondContact O-N 2.83Å; D452-D454 VanDerWaalsContact OD1-C 3.28Å; D452-D454 WeakPolarHBondContact OD1-CA 3.2Å; D452-D454 WeakPolarHBondContact OD1-CB 3.48Å; D452-D454 PolarHBondContact OD1-N 3.11Å; D452-G455 PolarHBondContact O-N 2.84Å; D452-G455 VanDerWaalsContact O-N 3.11Å; D452-G455 PolarHBondContact OD1-N 2.89Å; D452-N456 PolarHBondContact N-O 2.95Å; D452-N456 PolarHBondContact OD1-N 3.24Å; D452-N456 WeakPolarHBondContact OD2-CB 3.48Å; D452-N456 PolarHBondContact OD2-ND2 2.76Å; D452-L458 HydrophobicContact CB-CD1 4.31Å; D452-L458 HydrophobicContact CB-CD2 4.02Å; D452-L458 HydrophobicContact CB-CG 4.12Å
453	I	90.5	Very high	88.2	Confident	96 Å²	96	51.3 Å²	51.3	49%	0.492	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.2	-179.5	57.5	172.4	0	0	0	114.1	R353 R354 P357	R353-I453 PolarHBondContact O-N 3.31Å; R354-I453 HydrophobicContact CG-CD1 4.41Å; R354-I453 HydrophobicContact CG-CG2 3.75Å; P357-I453 HydrophobicContact CG-CG1 4.31Å
454	D	89.4	Confident	88.4	Confident	109 Å²	109	49 Å²	49	58%	0.583	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	1.4	179.3	-63	-32.1	0	0	0	111.7	D452 N456	D452-D454 PolarHBondContact O-N 2.83Å; D452-D454 VanDerWaalsContact OD1-C 3.28Å; D452-D454 WeakPolarHBondContact OD1-CA 3.2Å; D452-D454 WeakPolarHBondContact OD1-CB 3.48Å; D452-D454 PolarHBondContact OD1-N 3.11Å; D454-N456 WeakPolarHBondContact CB-ND2 3.47Å
455	G	89.2	Confident	88.5	Confident	49 Å²	49	47.6 Å²	47.6	51%	0.505	26%	0.255	S	S	.	.	S	Bend	trans	83.5	10.5	179.9	0	0	0	0	0	115.2	F451 D452	F451-G455 WeakPolarHBondContact CD1-O 3.34Å; D452-G455 PolarHBondContact O-N 2.84Å; D452-G455 VanDerWaalsContact O-N 3.11Å; D452-G455 PolarHBondContact OD1-N 2.89Å
456	N	91.7	Very high	88.6	Confident	91 Å²	91	48 Å²	48	49%	0.487	26%	0.256	S	S	.	.			trans	-89.3	152.4	176.8	-45.2	-76.5	0	0	0	112	D452 D454	D452-N456 PolarHBondContact N-O 2.95Å; D452-N456 PolarHBondContact OD1-N 3.24Å; D452-N456 WeakPolarHBondContact OD2-CB 3.48Å; D452-N456 PolarHBondContact OD2-ND2 2.76Å; D454-N456 WeakPolarHBondContact CB-ND2 3.47Å
457	E	92.3	Very high	89.1	Confident	64 Å²	64	49.7 Å²	49.7	30%	0.299	26%	0.263	S	S	.	.			trans	-66.8	146.6	174.8	-167.8	-179.2	-177.1	0	0	110.6	V325 K447	V325-E457 HydrophobicContact CG1-CB 4.16Å; V325-E457 HydrophobicContact CG1-CG 4.23Å; V325-E457 WeakPolarHBondContact CG1-O 3.36Å; K447-E457 VanDerWaalsContact CA-OE1 3.3Å; K447-E457 WeakPolarHBondContact CA-OE1 3.47Å; K447-E457 PolarHBondContact N-OE1 3.17Å
458	L	94.8	Very high	90.5	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.233	C	C	.	.			trans	-106	153.2	172.6	-68.7	171.5	0	0	0	110.9	R353 V356 L445 D452	R353-L458 HydrophobicContact CB-CD1 4.37Å; R353-L458 HydrophobicContact CG-CD1 3.78Å; V356-L458 HydrophobicContact CB-CD2 3.7Å; V356-L458 HydrophobicContact CG1-CD2 3.73Å; V356-L458 HydrophobicContact CG2-CD2 4.05Å; L445-L458 HydrophobicContact CB-CB 4.48Å; L445-L458 HydrophobicContact CD1-CB 4.21Å; L445-L458 HydrophobicContact CD1-CD1 4.03Å; L445-L458 HydrophobicContact CD2-CD1 4.09Å; D452-L458 HydrophobicContact CB-CD1 4.31Å; D452-L458 HydrophobicContact CB-CD2 4.02Å; D452-L458 HydrophobicContact CB-CG 4.12Å
459	P	95.5	Very high	92	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.026	21%	0.208	C	C	.	.			trans	-57.4	148.2	176.1	-25.2	36.6	0	0	0	111.3	L319 V325 V328 L445 L461	L319-P459 HydrophobicContact CD2-CB 3.95Å; L319-P459 WeakPolarHBondContact O-CG 3.35Å; V325-P459 HydrophobicContact CG1-CG 4.17Å; V328-P459 HydrophobicContact CB-CB 4.18Å; V328-P459 HydrophobicContact CG1-CB 4.42Å; L445-P459 WeakPolarHBondContact CB-O 3.36Å; P459-L461 PolarHBondContact O-N 3.21Å
460	R	95	Very high	92.9	Very high	47 Å²	47	41.2 Å²	41.2	18%	0.177	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	134.5	-177.3	-177.7	-180	-76.9	-178.5	-3.2	110.3	V328 S329 C330 V443 L445 V462 L491 T492	V328-R460 PolarHBondContact O-N 3.01Å; S329-R460 CarbonylContact C-O 3.32Å; C330-R460 PolarHBondContact N-O 3.37Å; V443-R460 HydrophobicContact CG1-CG 4.19Å; L445-R460 VanDerWaalsContact O-CA 3.26Å; L445-R460 WeakPolarHBondContact O-CA 3.39Å; L445-R460 WeakPolarHBondContact O-CG 3.36Å; R460-V462 HydrophobicContact CG-CG2 3.68Å; R460-L491 PolarHBondContact NH1-O 3.33Å; R460-T492 VanDerWaalsContact NH1-CG2 3.26Å
461	L	97.2	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.7	173.3	178.7	62.9	0	0	0	109.2	I315 L319 C330 V332 Y444 L445 P459	I315-L461 HydrophobicContact CG2-CD1 3.79Å; I315-L461 HydrophobicContact CG2-CD2 4.27Å; L319-L461 HydrophobicContact CD1-CD2 4.41Å; L319-L461 HydrophobicContact CD2-CB 4.36Å; C330-L461 HydrophobicContact CB-CD1 4.04Å; C330-L461 CarbonylContact O-C 3.58Å; C330-L461 WeakPolarHBondContact O-CA 3.44Å; V332-L461 HydrophobicContact CG2-CD1 3.99Å; Y444-L461 PolarHBondContact N-O 2.88Å; L445-L461 HydrophobicContact CB-CB 4.1Å; L445-L461 HydrophobicContact CD1-CB 4.33Å; L445-L461 HydrophobicContact CG-CB 4.34Å; L445-L461 PolarHBondContact O-N 2.95Å; P459-L461 PolarHBondContact O-N 3.21Å
462	V	95.7	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123	-176.5	-169.8	0	0	0	0	109.8	C330 Y331 V332 I441 Q442 V443 R460 V464 L491	C330-V462 PolarHBondContact O-N 2.96Å; Y331-V462 CarbonylContact C-O 3.51Å; Y331-V462 WeakPolarHBondContact CA-O 3.5Å; Y331-V462 HydrophobicContact CD1-CB 3.64Å; Y331-V462 HydrophobicContact CD1-CG1 3.95Å; Y331-V462 HydrophobicContact CD1-CG2 3.99Å; Y331-V462 HydrophobicContact CE1-CB 3.89Å; Y331-V462 HydrophobicContact CE1-CG1 4.1Å; Y331-V462 HydrophobicContact CE1-CG2 3.74Å; Y331-V462 HydrophobicContact CG-CB 4.34Å; V332-V462 PolarHBondContact N-O 3.06Å; I441-V462 HydrophobicContact CG2-CG1 3.74Å; Q442-V462 CarbonylContact O-C 3.57Å; Q442-V462 WeakPolarHBondContact O-CA 3.32Å; V443-V462 HydrophobicContact CG2-CG1 4.3Å; V443-V462 HydrophobicContact CG2-CG2 4.27Å; R460-V462 HydrophobicContact CG-CG2 3.68Å; V462-V464 HydrophobicContact CG1-CG2 3.9Å; V462-L491 HydrophobicContact CG1-CD1 4.31Å
463	Y	96.1	Very high	92.9	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.8	165	168.1	-93.6	0	0	0	109.6	D334 L341 F342 L345 M440 I441 Q442	D334-Y463 HydrophobicContact CB-CD2 4.21Å; D334-Y463 HydrophobicContact CB-CE2 3.35Å; D334-Y463 WeakPolarHBondContact OD2-CE2 3.37Å; D334-Y463 PolarHBondContact OD2-OH 3.5Å; D334-Y463 VanDerWaalsContact OD2-OH 3.12Å; L341-Y463 HydrophobicContact CD2-CE2 4.36Å; F342-Y463 HydrophobicContact CB-CE2 4.5Å; F342-Y463 AromaticContact CD2-CD1 3.98Å; F342-Y463 HydrophobicContact CD2-CD1 3.98Å; F342-Y463 AromaticContact CD2-CE1 3.95Å; F342-Y463 HydrophobicContact CD2-CE1 3.95Å; F342-Y463 HydrophobicContact CD2-CG 4.32Å; F342-Y463 HydrophobicContact CE2-CD1 4.41Å; L345-Y463 HydrophobicContact CD1-CD2 3.57Å; L345-Y463 HydrophobicContact CD1-CG 4.13Å; M440-Y463 HydrophobicContact CB-CE1 4.3Å; I441-Y463 VanDerWaalsContact CA-O 3.32Å; I441-Y463 WeakPolarHBondContact CA-O 3.35Å; Q442-Y463 HydrophobicContact CB-CD1 4.34Å; Q442-Y463 PolarHBondContact N-O 2.87Å; Q442-Y463 PolarHBondContact O-N 3.24Å
464	V	96.2	Very high	92.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118	179.3	-177.3	0	0	0	0	109	Y331 V332 S333 D334 V462 V487 I724	Y331-V464 HydrophobicContact CD1-CG2 4.14Å; V332-V464 PolarHBondContact O-N 3.32Å; S333-V464 CarbonylContact C-O 3.55Å; S333-V464 VanDerWaalsContact CA-O 3.29Å; S333-V464 WeakPolarHBondContact CA-O 3.48Å; D334-V464 PolarHBondContact N-O 3.01Å; V462-V464 HydrophobicContact CG1-CG2 3.9Å; V464-V487 HydrophobicContact CG1-CG2 4.02Å; V464-V487 HydrophobicContact CG2-CG1 4.12Å; V464-I724 HydrophobicContact CG1-CD1 4.39Å
465	S	95.2	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.4	166.6	160.9	0	0	0	0	107.4	H437 G439 M440	H437-S465 PolarHBondContact CE1-OG 2.89Å; G439-S465 CarbonylContact C-O 3.5Å; G439-S465 VanDerWaalsContact CA-O 3.28Å; G439-S465 WeakPolarHBondContact CA-O 3.19Å; M440-S465 WeakPolarHBondContact CE-OG 3.35Å; M440-S465 PolarHBondContact N-O 2.71Å; M440-S465 PolarHBondContact O-N 2.89Å
466	R	94.9	Very high	92.7	Very high	9 Å²	9	45 Å²	45	3%	0.034	25%	0.245	C	C	.	.			trans	-66.4	157.3	179.9	60.9	-178.9	168.1	161.1	-2.1	112.5	D335 H437 H474 K476 G479 A480 A483 I724	D335-R466 VanDerWaalsContact CG-NH2 3.29Å; D335-R466 IonicContact OD1-CZ 3.32Å; D335-R466 VanDerWaalsContact OD1-CZ 3.26Å; D335-R466 IonicContact OD1-NE 2.63Å; D335-R466 PolarHBondContact OD1-NE 3Å; D335-R466 IonicContact OD1-NH2 2.78Å; D335-R466 PolarHBondContact OD1-NH2 3.34Å; D335-R466 IonicContact OD2-CZ 3.3Å; D335-R466 IonicContact OD2-NE 3.03Å; D335-R466 IonicContact OD2-NH2 3.89Å; D335-R466 PolarHBondContact OD2-NH2 3.03Å; H437-R466 PolarHBondContact CE1-O 2.65Å; R466-H474 PolarHBondContact NH1-O 2.84Å; R466-H474 PolarHBondContact NH2-O 3.21Å; R466-K476 PolarHBondContact NH2-O 3.25Å; R466-G479 PolarHBondContact NH1-O 3.5Å; R466-A480 VanDerWaalsContact NH1-N 3.17Å; R466-A483 HydrophobicContact CB-CB 3.95Å; R466-I724 HydrophobicContact CB-CB 4.29Å
467	E	95.6	Very high	92.7	Very high	43 Å²	43	42.9 Å²	42.9	20%	0.201	23%	0.232	C	C	.	.			trans	-64.2	140.4	175.5	-177.9	174.4	-153.6	0	0	111.2	R469 I724 S725 C726	E467-R469 HydrophobicContact CG-CG 4.26Å; E467-R469 IonicContact OE1-CZ 2.68Å; E467-R469 IonicContact OE1-NE 3.65Å; E467-R469 PolarHBondContact OE1-NE 2.87Å; E467-R469 IonicContact OE1-NH2 2.86Å; E467-R469 PolarHBondContact OE1-NH2 2.8Å; E467-I724 PolarHBondContact N-O 3.21Å; E467-I724 VanDerWaalsContact N-O 3.17Å; E467-S725 WeakPolarHBondContact OE2-CA 3.37Å; E467-S725 VanDerWaalsContact OE2-CB 3.26Å; E467-S725 WeakPolarHBondContact OE2-CB 3.2Å; E467-C726 HydrophobicContact CB-CB 4.5Å; E467-C726 HydrophobicContact CG-CB 4.3Å; E467-C726 PolarHBondContact OE2-N 3.21Å; E467-C726 VanDerWaalsContact OE2-N 3.14Å
468	K	93.7	Very high	92.7	Very high	23 Å²	23	40 Å²	40	10%	0.1	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-130.5	136.1	170.3	-66.8	-173.3	178.1	-175.9	0	109.7	D335 T434 R435 D436 H437	D335-K468 WeakPolarHBondContact O-CE 3.11Å; D335-K468 PolarHBondContact O-NZ 3.4Å; T434-K468 WeakPolarHBondContact O-CD 3.46Å; R435-K468 CarbonylContact O-C 3.49Å; D436-K468 CarbonylContact C-O 3.56Å; D436-K468 VanDerWaalsContact CA-O 3.28Å; D436-K468 WeakPolarHBondContact CA-O 3.41Å; H437-K468 PolarHBondContact N-O 3.48Å; H437-K468 PolarHBondContact O-N 3.23Å; H437-K468 VanDerWaalsContact O-O 3.13Å
469	R	94.2	Very high	92.7	Very high	72 Å²	72	39.9 Å²	39.9	27%	0.272	22%	0.219	S	C	.	.			trans	-135.1	146	175.4	-60.8	-62.4	172.4	-145.9	-3.2	110.3	R435 D436 H437 E467 Y472 C726	R435-R469 CarbonylContact O-C 3.53Å; D436-R469 WeakPolarHBondContact OD1-CD 3.45Å; D436-R469 IonicContact OD1-CZ 3.37Å; D436-R469 IonicContact OD1-NE 3.64Å; D436-R469 IonicContact OD1-NH1 3.89Å; D436-R469 PolarHBondContact OD1-NH1 3.14Å; H437-R469 VanDerWaalsContact C-NH1 3.26Å; E467-R469 HydrophobicContact CG-CG 4.26Å; E467-R469 IonicContact OE1-CZ 2.68Å; E467-R469 IonicContact OE1-NE 3.65Å; E467-R469 PolarHBondContact OE1-NE 2.87Å; E467-R469 IonicContact OE1-NH2 2.86Å; E467-R469 PolarHBondContact OE1-NH2 2.8Å; R469-Y472 HydrophobicContact CB-CD2 3.84Å; R469-Y472 HydrophobicContact CB-CG 4.49Å; R469-Y472 PolarHBondContact O-N 3.49Å; R469-C726 VanDerWaalsContact CG-SG 3.51Å
470	P	91.4	Very high	92.6	Very high	89 Å²	89	39.9 Å²	39.9	58%	0.578	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	140.1	170.2	-24.1	34.5	0	0	0	111.5	D436 Y472	D436-P470 HydrophobicContact CB-CG 4.13Å; P470-Y472 VanDerWaalsContact C-N 3.28Å; P470-Y472 PolarHBondContact O-N 3.23Å
471	G	87.4	Confident	92.6	Very high	91 Å²	91	37.7 Å²	37.7	94%	0.938	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-15.1	-177.8	0	0	0	0	0	115
472	Y	89.2	Confident	92.5	Very high	100 Å²	100	37.7 Å²	37.7	39%	0.392	21%	0.211	S	C	.	.			trans	-97	126.1	177.3	-73.6	-99.4	0	0	0	111.3	R469 P470 C726 E730	R469-Y472 HydrophobicContact CB-CD2 3.84Å; R469-Y472 HydrophobicContact CB-CG 4.49Å; R469-Y472 PolarHBondContact O-N 3.49Å; P470-Y472 VanDerWaalsContact C-N 3.28Å; P470-Y472 PolarHBondContact O-N 3.23Å; Y472-C726 HydrophobicContact CD1-CB 4.18Å; Y472-C726 HydrophobicContact CG-CB 4.22Å; Y472-E730 WeakPolarHBondContact CE1-OE1 3.5Å; Y472-E730 PolarHBondContact OH-OE1 3.2Å
473	A	86.6	Confident	92.5	Very high	65 Å²	65	37.7 Å²	37.7	54%	0.537	21%	0.211	S	C	.	.			trans	-73.9	128	173.2	0	0	0	0	0	109.7	H475	A473-H475 PolarHBondContact O-CD2 3.4Å
474	H	87.8	Confident	92.6	Very high	79 Å²	79	37.6 Å²	37.6	37%	0.366	21%	0.21	S	C	.	.			trans	-100.4	2.1	-179.8	65.2	84.7	0	0	0	113.1	R466 K476	R466-H474 PolarHBondContact NH1-O 2.84Å; R466-H474 PolarHBondContact NH2-O 3.21Å; H474-K476 PolarHBondContact ND1-N 3.35Å; H474-K476 PolarHBondContact O-N 3.12Å
475	H	89.3	Confident	92.6	Very high	73 Å²	73	37.6 Å²	37.6	34%	0.338	21%	0.21	S	C	.	.			trans	52.2	25.8	171.8	-56.9	-71.1	0	0	0	116.9	A473 K477 A478 G479 E729 Y742	A473-H475 PolarHBondContact O-CD2 3.4Å; H475-K477 PolarHBondContact O-N 3.19Å; H475-A478 PolarHBondContact O-N 3.39Å; H475-G479 PolarHBondContact O-N 3.1Å; H475-E729 IonicContact CD2-OE1 3.72Å; H475-E729 IonicContact CD2-OE2 3.48Å; H475-E729 PolarHBondContact CD2-OE2 3.43Å; H475-E729 IonicContact NE2-OE2 2.62Å; H475-E729 PolarHBondContact NE2-OE2 3.07Å; H475-Y742 HydrophobicContact CB-CD1 3.89Å; H475-Y742 HydrophobicContact CB-CD2 4Å; H475-Y742 HydrophobicContact CB-CE1 3.9Å; H475-Y742 HydrophobicContact CB-CE2 3.99Å; H475-Y742 HydrophobicContact CB-CG 3.96Å; H475-Y742 AromaticContact CD2-CD2 3.42Å; H475-Y742 VanDerWaalsContact CD2-CD2 3.42Å; H475-Y742 WeakPolarHBondContact CD2-CD2 3.32Å; H475-Y742 AromaticContact CD2-CE2 3.23Å; H475-Y742 WeakPolarHBondContact CD2-CE2 3.15Å; H475-Y742 AromaticContact CD2-CZ 3.94Å; H475-Y742 AromaticContact CE1-CD2 3.62Å; H475-Y742 AromaticContact CG-CD2 3.35Å; H475-Y742 AromaticContact CG-CE2 3.5Å; H475-Y742 AromaticContact CG-CG 3.7Å; H475-Y742 AromaticContact CG-CZ 4Å; H475-Y742 AromaticContact ND1-CD2 3.48Å; H475-Y742 WeakPolarHBondContact ND1-CD2 3.3Å; H475-Y742 AromaticContact ND1-CG 3.75Å; H475-Y742 AromaticContact NE2-CD2 3.6Å; H475-Y742 AromaticContact NE2-CE2 3.73Å
476	K	88.1	Confident	92.6	Very high	91 Å²	91	38 Å²	38	40%	0.396	21%	0.212	S	C	.	.	H	α-helix	trans	48.5	-134.6	175.3	-55.3	177.1	-177	174	0	111.8	R466 H474 A478 G479 A480	R466-K476 PolarHBondContact NH2-O 3.25Å; H474-K476 PolarHBondContact ND1-N 3.35Å; H474-K476 PolarHBondContact O-N 3.12Å; K476-A478 PolarHBondContact O-N 3.25Å; K476-G479 PolarHBondContact O-N 2.8Å; K476-A480 PolarHBondContact O-N 2.84Å; K476-A480 VanDerWaalsContact O-N 3.1Å
477	K	90.3	Very high	92.6	Very high	47 Å²	47	37.5 Å²	37.5	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-41.8	-177	-174.3	172.9	176	-179	0	112.9	H475 G479 A480 M481 D501 G571 E747	H475-K477 PolarHBondContact O-N 3.19Å; K477-G479 VanDerWaalsContact C-N 3.33Å; K477-G479 PolarHBondContact O-N 2.75Å; K477-A480 WeakPolarHBondContact O-CB 3.43Å; K477-A480 PolarHBondContact O-N 3.27Å; K477-A480 VanDerWaalsContact O-N 3.13Å; K477-M481 HydrophobicContact CG-CG 4.34Å; K477-M481 VanDerWaalsContact O-CG 3.31Å; K477-M481 WeakPolarHBondContact O-CG 3.2Å; K477-M481 PolarHBondContact O-N 3.42Å; K477-D501 IonicContact NZ-OD1 3.92Å; K477-D501 PolarHBondContact NZ-OD1 2.69Å; K477-G571 PolarHBondContact NZ-O 3.17Å; K477-E747 WeakPolarHBondContact CB-OE1 3.34Å; K477-E747 WeakPolarHBondContact CD-OE1 3.48Å; K477-E747 WeakPolarHBondContact CG-OE1 3.48Å
478	A	93	Very high	92.6	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-46.1	178.1	0	0	0	0	0	112.2	H475 K476 M481 N482 W740 Y742 E747	H475-A478 PolarHBondContact O-N 3.39Å; K476-A478 PolarHBondContact O-N 3.25Å; A478-M481 PolarHBondContact O-N 3.33Å; A478-N482 PolarHBondContact O-N 3.25Å; A478-W740 HydrophobicContact CB-CB 4.15Å; A478-Y742 HydrophobicContact CB-CD1 3.54Å; A478-Y742 HydrophobicContact CB-CE1 3.71Å; A478-E747 HydrophobicContact CB-CB 3.88Å; A478-E747 HydrophobicContact CB-CG 3.71Å
479	G	93.7	Very high	92.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.7	-35.4	177	0	0	0	0	0	112.8	R466 H475 K476 K477 M481 N482 A483	R466-G479 PolarHBondContact NH1-O 3.5Å; H475-G479 PolarHBondContact O-N 3.1Å; K476-G479 PolarHBondContact O-N 2.8Å; K477-G479 VanDerWaalsContact C-N 3.33Å; K477-G479 PolarHBondContact O-N 2.75Å; G479-M481 VanDerWaalsContact C-N 3.35Å; G479-N482 PolarHBondContact O-N 3.02Å; G479-A483 PolarHBondContact O-N 2.9Å
480	A	93.2	Very high	92.6	Very high	3 Å²	3	31 Å²	31	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-42.9	176	0	0	0	0	0	111.1	R466 K476 K477 A483 M484	R466-A480 VanDerWaalsContact NH1-N 3.17Å; K476-A480 PolarHBondContact O-N 2.84Å; K476-A480 VanDerWaalsContact O-N 3.1Å; K477-A480 WeakPolarHBondContact O-CB 3.43Å; K477-A480 PolarHBondContact O-N 3.27Å; K477-A480 VanDerWaalsContact O-N 3.13Å; A480-A483 PolarHBondContact O-N 3.34Å; A480-M484 PolarHBondContact O-N 3.22Å; A480-M484 VanDerWaalsContact O-N 3.07Å
481	M	95.5	Very high	92.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-44.7	173.5	-66.6	-57.9	-61.4	0	0	111.8	F297 K477 A478 G479 A483 M484 V485 N499 W740	F297-M481 HydrophobicContact CB-CE 4.11Å; F297-M481 HydrophobicContact CD2-CE 3.77Å; F297-M481 HydrophobicContact CG-CE 4.46Å; K477-M481 HydrophobicContact CG-CG 4.34Å; K477-M481 VanDerWaalsContact O-CG 3.31Å; K477-M481 WeakPolarHBondContact O-CG 3.2Å; K477-M481 PolarHBondContact O-N 3.42Å; A478-M481 PolarHBondContact O-N 3.33Å; G479-M481 VanDerWaalsContact C-N 3.35Å; M481-A483 PolarHBondContact O-N 3.16Å; M481-M484 HydrophobicContact CE-CE 4.21Å; M481-M484 HydrophobicContact CG-CE 4.44Å; M481-M484 PolarHBondContact O-N 3.48Å; M481-M484 HydrophobicContact SD-CE 3.31Å; M481-M484 WeakPolarHBondContact SD-CE 3.4Å; M481-V485 VanDerWaalsContact O-CG2 3.3Å; M481-V485 WeakPolarHBondContact O-CG2 3.41Å; M481-V485 PolarHBondContact O-N 3.4Å; M481-N499 HydrophobicContact CE-CB 3.56Å; M481-W740 HydrophobicContact CB-CB 4.44Å; M481-W740 HydrophobicContact CB-CD2 3.6Å; M481-W740 HydrophobicContact CB-CE3 3.86Å; M481-W740 HydrophobicContact CB-CG 3.85Å; M481-W740 HydrophobicContact CB-CZ3 4.43Å; M481-W740 HydrophobicContact CE-CH2 3.79Å; M481-W740 HydrophobicContact CE-CZ2 3.48Å; M481-W740 VanDerWaalsContact CE-CZ2 3.48Å; M481-W740 HydrophobicContact CE-CZ3 4.45Å; M481-W740 HydrophobicContact CG-CD2 4.26Å; M481-W740 HydrophobicContact CG-CG 4.38Å
482	N	96.3	Very high	92.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-39	177.3	-76.2	-19.8	0	0	0	112.8	A478 G479 V485 R486 W734 G739 W740 Y742	A478-N482 PolarHBondContact O-N 3.25Å; G479-N482 PolarHBondContact O-N 3.02Å; N482-V485 PolarHBondContact O-N 3Å; N482-R486 VanDerWaalsContact O-CG 3.26Å; N482-R486 WeakPolarHBondContact O-CG 3.47Å; N482-R486 PolarHBondContact O-N 2.97Å; N482-R486 VanDerWaalsContact O-N 3.14Å; N482-W734 HydrophobicContact CB-CE3 4.01Å; N482-W734 HydrophobicContact CB-CZ3 4.04Å; N482-G739 VanDerWaalsContact OD1-CA 3.25Å; N482-G739 WeakPolarHBondContact OD1-CA 3.47Å; N482-W740 PolarHBondContact ND2-O 3.43Å; N482-W740 PolarHBondContact OD1-N 3.01Å; N482-Y742 WeakPolarHBondContact ND2-CE1 3.34Å; N482-Y742 VanDerWaalsContact ND2-CZ 3.3Å; N482-Y742 PolarHBondContact ND2-OH 3.35Å
483	A	95.8	Very high	93.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-45.9	172.5	0	0	0	0	0	111.5	R466 G479 A480 M481 V485 R486 V487 I724	R466-A483 HydrophobicContact CB-CB 3.95Å; G479-A483 PolarHBondContact O-N 2.9Å; A480-A483 PolarHBondContact O-N 3.34Å; M481-A483 PolarHBondContact O-N 3.16Å; A483-V485 PolarHBondContact O-N 2.85Å; A483-R486 PolarHBondContact O-N 3.45Å; A483-V487 WeakPolarHBondContact O-CG2 3.28Å; A483-V487 PolarHBondContact O-N 3.31Å; A483-I724 HydrophobicContact CB-CG2 4.05Å
484	M	96.3	Very high	93.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-42.4	176.6	-74.1	-172	-74.2	0	0	112.9	F297 S333 A480 M481 R486 V487 S488	F297-M484 HydrophobicContact CB-CE 3.8Å; F297-M484 HydrophobicContact CB-SD 3.67Å; F297-M484 HydrophobicContact CD1-CB 4.1Å; F297-M484 HydrophobicContact CD1-SD 4.21Å; F297-M484 HydrophobicContact CD2-CB 3.94Å; F297-M484 HydrophobicContact CD2-CE 4.46Å; F297-M484 HydrophobicContact CE1-CB 4.12Å; F297-M484 HydrophobicContact CE2-CB 3.96Å; F297-M484 HydrophobicContact CG-CB 4.01Å; F297-M484 HydrophobicContact CG-CE 4.25Å; F297-M484 HydrophobicContact CG-SD 3.9Å; F297-M484 HydrophobicContact CZ-CB 4.05Å; S333-M484 VanDerWaalsContact CB-SD 3.52Å; A480-M484 PolarHBondContact O-N 3.22Å; A480-M484 VanDerWaalsContact O-N 3.07Å; M481-M484 HydrophobicContact CE-CE 4.21Å; M481-M484 HydrophobicContact CG-CE 4.44Å; M481-M484 PolarHBondContact O-N 3.48Å; M481-M484 HydrophobicContact SD-CE 3.31Å; M481-M484 WeakPolarHBondContact SD-CE 3.4Å; M484-R486 PolarHBondContact O-N 2.93Å; M484-V487 PolarHBondContact O-N 3.09Å; M484-S488 VanDerWaalsContact O-CB 3.31Å; M484-S488 WeakPolarHBondContact O-CB 3.35Å; M484-S488 PolarHBondContact O-N 3.07Å
485	V	96.3	Very high	93.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-55.5	-43.4	175.3	173.8	0	0	0	0	111	F297 M481 N482 A483 A489 M497 R578 Y582 W734 W740	F297-V485 HydrophobicContact CE2-CG2 3.87Å; M481-V485 VanDerWaalsContact O-CG2 3.3Å; M481-V485 WeakPolarHBondContact O-CG2 3.41Å; M481-V485 PolarHBondContact O-N 3.4Å; N482-V485 PolarHBondContact O-N 3Å; A483-V485 PolarHBondContact O-N 2.85Å; V485-A489 VanDerWaalsContact O-CB 3.24Å; V485-A489 WeakPolarHBondContact O-CB 3.44Å; V485-A489 PolarHBondContact O-N 3.05Å; V485-A489 VanDerWaalsContact O-N 3.08Å; V485-M497 HydrophobicContact CG1-SD 4.48Å; V485-M497 HydrophobicContact CG2-CE 4.47Å; V485-M497 HydrophobicContact CG2-SD 4.12Å; V485-R578 PolarHBondContact O-NH1 3.26Å; V485-R578 VanDerWaalsContact O-NH1 3.08Å; V485-Y582 HydrophobicContact CG1-CE1 3.7Å; V485-W734 HydrophobicContact CB-CH2 4.48Å; V485-W734 HydrophobicContact CG1-CH2 3.98Å; V485-W740 HydrophobicContact CG2-CE3 3.95Å; V485-W740 HydrophobicContact CG2-CH2 4.3Å; V485-W740 HydrophobicContact CG2-CZ3 3.34Å
486	R	95.8	Very high	94.3	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.026	5%	0.05	C	C	.	.	H	α-helix	trans	-71.3	-46.5	-177	-69	170.3	59.1	112.4	7	112	N482 A483 M484 A489 V490 F690 F696 V723 Y728 W734	N482-R486 VanDerWaalsContact O-CG 3.26Å; N482-R486 WeakPolarHBondContact O-CG 3.47Å; N482-R486 PolarHBondContact O-N 2.97Å; N482-R486 VanDerWaalsContact O-N 3.14Å; A483-R486 PolarHBondContact O-N 3.45Å; M484-R486 PolarHBondContact O-N 2.93Å; R486-A489 PolarHBondContact O-N 3.23Å; R486-V490 PolarHBondContact O-N 3.28Å; R486-F690 PolarHBondContact NH1-O 3.46Å; R486-F696 HydrophobicContact CB-CE2 4.27Å; R486-F696 HydrophobicContact CG-CE2 4.11Å; R486-F696 HydrophobicContact CG-CZ 4.1Å; R486-V723 HydrophobicContact CB-CB 4.24Å; R486-V723 HydrophobicContact CB-CG2 4.08Å; R486-V723 PolarHBondContact NE-O 3.31Å; R486-V723 PolarHBondContact NH2-O 3.01Å; R486-Y728 VanDerWaalsContact CZ-CD2 3.46Å; R486-Y728 VanDerWaalsContact NH1-CB 3.29Å; R486-W734 HydrophobicContact CG-CH2 3.67Å; R486-W734 HydrophobicContact CG-CZ2 3.52Å; R486-W734 HydrophobicContact CG-CZ3 4.4Å; R486-W734 VanDerWaalsContact NH1-CD1 3.33Å
487	V	95.6	Very high	94.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.3	-49.9	175.2	172.3	0	0	0	0	111	Y331 I441 V464 A483 M484 A489 V490 L491 A720 I724	Y331-V487 HydrophobicContact CD1-CG1 4.23Å; Y331-V487 HydrophobicContact CE1-CG1 4Å; I441-V487 HydrophobicContact CD1-CG1 4.03Å; I441-V487 HydrophobicContact CD1-CG2 3.97Å; V464-V487 HydrophobicContact CG1-CG2 4.02Å; V464-V487 HydrophobicContact CG2-CG1 4.12Å; A483-V487 WeakPolarHBondContact O-CG2 3.28Å; A483-V487 PolarHBondContact O-N 3.31Å; M484-V487 PolarHBondContact O-N 3.09Å; V487-A489 VanDerWaalsContact C-N 3.27Å; V487-A489 PolarHBondContact O-N 3.42Å; V487-V490 PolarHBondContact O-N 2.92Å; V487-L491 HydrophobicContact CG1-CD1 3.63Å; V487-L491 HydrophobicContact CG1-CG 4.09Å; V487-L491 PolarHBondContact O-N 3.38Å; V487-A720 HydrophobicContact CG1-CB 4.33Å; V487-I724 HydrophobicContact CG2-CB 4.44Å; V487-I724 HydrophobicContact CG2-CG2 3.1Å
488	S	95.9	Very high	95.2	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-67.9	-31.9	-174.1	103	0	0	0	0	111.5	D295 F297 M484 V490 L491 T492 N493 R578	D295-S488 WeakPolarHBondContact OD2-CB 3.34Å; D295-S488 PolarHBondContact OD2-OG 2.84Å; F297-S488 WeakPolarHBondContact CZ-OG 3.22Å; M484-S488 VanDerWaalsContact O-CB 3.31Å; M484-S488 WeakPolarHBondContact O-CB 3.35Å; M484-S488 PolarHBondContact O-N 3.07Å; S488-V490 PolarHBondContact O-N 2.78Å; S488-L491 PolarHBondContact O-N 3.43Å; S488-T492 PolarHBondContact O-N 3.24Å; S488-T492 PolarHBondContact O-OG1 3.39Å; S488-T492 VanDerWaalsContact O-OG1 3.13Å; S488-N493 PolarHBondContact O-N 2.91Å; S488-R578 PolarHBondContact OG-NH1 2.87Å; S488-R578 PolarHBondContact OG-NH2 2.63Å
489	A	93.9	Very high	95.3	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.6	-28.3	172.4	0	0	0	0	0	113.8	V485 R486 V487 N493 Y582 F696 S699	V485-A489 VanDerWaalsContact O-CB 3.24Å; V485-A489 WeakPolarHBondContact O-CB 3.44Å; V485-A489 PolarHBondContact O-N 3.05Å; V485-A489 VanDerWaalsContact O-N 3.08Å; R486-A489 PolarHBondContact O-N 3.23Å; V487-A489 VanDerWaalsContact C-N 3.27Å; V487-A489 PolarHBondContact O-N 3.42Å; A489-N493 VanDerWaalsContact O-CB 3.31Å; A489-N493 WeakPolarHBondContact O-CB 3.07Å; A489-Y582 WeakPolarHBondContact CB-OH 3.25Å; A489-F696 HydrophobicContact CB-CD2 3.61Å; A489-F696 HydrophobicContact CB-CE2 3.37Å; A489-S699 WeakPolarHBondContact O-CB 3.24Å
490	V	92.9	Very high	95.5	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-85.6	-37.3	175.7	175.7	0	0	0	0	111.3	R486 V487 S488 V695 F696 L707 L716 E719 A720 V723	R486-V490 PolarHBondContact O-N 3.28Å; V487-V490 PolarHBondContact O-N 2.92Å; S488-V490 PolarHBondContact O-N 2.78Å; V490-V695 HydrophobicContact CG1-CG1 4.28Å; V490-F696 HydrophobicContact CG2-CB 4.29Å; V490-F696 HydrophobicContact CG2-CD2 4.38Å; V490-L707 VanDerWaalsContact O-CD2 3.26Å; V490-L707 WeakPolarHBondContact O-CD2 3.48Å; V490-L716 HydrophobicContact CG1-CD2 3.87Å; V490-L716 WeakPolarHBondContact O-CD2 3.48Å; V490-E719 HydrophobicContact CG1-CB 3.98Å; V490-E719 HydrophobicContact CG1-CG 3.96Å; V490-E719 HydrophobicContact CG2-CG 4.42Å; V490-A720 HydrophobicContact CG1-CB 4.28Å; V490-V723 HydrophobicContact CG2-CG1 4.18Å; V490-V723 HydrophobicContact CG2-CG2 4.09Å
491	L	92.5	Very high	95.5	Very high	8 Å²	8	5 Å²	5	4%	0.042	3%	0.027	C	C	.	.	H	α-helix	trans	-89.8	-31.6	-171.8	-66.7	-171.8	0	0	0	115.3	Y331 I441 R460 V462 V487 S488 L707 L716 A720	Y331-L491 HydrophobicContact CE1-CB 4.49Å; Y331-L491 HydrophobicContact CE1-CD1 4.14Å; Y331-L491 WeakPolarHBondContact OH-CB 3.46Å; I441-L491 HydrophobicContact CG2-CD1 4.47Å; R460-L491 PolarHBondContact NH1-O 3.33Å; V462-L491 HydrophobicContact CG1-CD1 4.31Å; V487-L491 HydrophobicContact CG1-CD1 3.63Å; V487-L491 HydrophobicContact CG1-CG 4.09Å; V487-L491 PolarHBondContact O-N 3.38Å; S488-L491 PolarHBondContact O-N 3.43Å; L491-L707 VanDerWaalsContact O-CD1 3.31Å; L491-L707 WeakPolarHBondContact O-CD1 3.32Å; L491-L716 HydrophobicContact CD2-CB 4.01Å; L491-A720 HydrophobicContact CD1-CB 4.31Å; L491-A720 HydrophobicContact CD2-CB 3.86Å; L491-A720 HydrophobicContact CG-CB 4Å
492	T	92.5	Very high	95.3	Very high	25 Å²	25	5.1 Å²	5.1	15%	0.153	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	-34.7	-176.1	48.7	0	0	0	0	112.9	D295 S329 Y331 R460 S488 A494	D295-T492 WeakPolarHBondContact OD1-CB 3.24Å; D295-T492 PolarHBondContact OD1-OG1 3.01Å; D295-T492 PolarHBondContact OD2-OG1 3.17Å; S329-T492 WeakPolarHBondContact OG-CG2 3.48Å; Y331-T492 WeakPolarHBondContact OH-CG2 3.12Å; Y331-T492 PolarHBondContact OH-OG1 3.01Å; R460-T492 VanDerWaalsContact NH1-CG2 3.26Å; S488-T492 PolarHBondContact O-N 3.24Å; S488-T492 PolarHBondContact O-OG1 3.39Å; S488-T492 VanDerWaalsContact O-OG1 3.13Å; T492-A494 VanDerWaalsContact C-N 3.29Å; T492-A494 PolarHBondContact O-N 3.28Å
493	N	93.9	Very high	95	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	3%	0.03	C	C	.	.			trans	50.3	44.8	-177.5	-161.9	25.4	0	0	0	112.9	S488 A489 S699 G705 G706 L707	S488-N493 PolarHBondContact O-N 2.91Å; A489-N493 VanDerWaalsContact O-CB 3.31Å; A489-N493 WeakPolarHBondContact O-CB 3.07Å; N493-S699 PolarHBondContact ND2-O 2.78Å; N493-G705 CarbonylContact O-C 3.55Å; N493-G705 WeakPolarHBondContact O-CA 3.38Å; N493-G706 VanDerWaalsContact CB-O 3.32Å; N493-G706 WeakPolarHBondContact CB-O 3.4Å; N493-G706 PolarHBondContact ND2-O 3.15Å; N493-G706 PolarHBondContact O-N 3.01Å; N493-L707 HydrophobicContact CB-CD2 4.19Å
494	A	96.2	Very high	94.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.			trans	-64.4	134.9	177.6	0	0	0	0	0	110.5	P293 D295 T492 F496 R578	P293-A494 HydrophobicContact CB-CB 4.01Å; P293-A494 HydrophobicContact CG-CB 4.43Å; D295-A494 HydrophobicContact CB-CB 4.22Å; D295-A494 VanDerWaalsContact CG-CB 3.43Å; D295-A494 WeakPolarHBondContact OD1-CB 3.28Å; D295-A494 WeakPolarHBondContact OD2-CB 3.48Å; T492-A494 VanDerWaalsContact C-N 3.29Å; T492-A494 PolarHBondContact O-N 3.28Å; A494-F496 PolarHBondContact O-N 3.3Å; A494-R578 PolarHBondContact O-NE 2.91Å; A494-R578 PolarHBondContact O-NH2 3.21Å; A494-R578 VanDerWaalsContact O-NH2 3.14Å
495	P	95.6	Very high	94.9	Very high	11 Å²	11	6 Å²	6	7%	0.071	3%	0.032	C	C	.	.	S	Bend	trans	-65.4	-21.2	-178.8	28.1	-35.4	0	0	0	113	A292 P293 R578	A292-P495 HydrophobicContact CB-CG 4.02Å; P293-P495 WeakPolarHBondContact O-CD 3.41Å; P495-R578 VanDerWaalsContact O-CB 3.24Å; P495-R578 WeakPolarHBondContact O-CB 3.02Å; P495-R578 PolarHBondContact O-N 2.96Å
496	F	97.7	Very high	94.9	Very high	18 Å²	18	6 Å²	6	8%	0.079	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.6	178.3	-53.6	-61.1	0	0	0	112.2	A292 V294 D295 A494 M516 L519 M520 V575 F576 N577	A292-F496 HydrophobicContact CB-CD2 3.62Å; A292-F496 HydrophobicContact CB-CE2 3.45Å; A292-F496 VanDerWaalsContact CB-CE2 3.45Å; V294-F496 WeakPolarHBondContact CA-O 3.32Å; V294-F496 HydrophobicContact CG2-CB 4.27Å; D295-F496 PolarHBondContact N-O 3.22Å; A494-F496 PolarHBondContact O-N 3.3Å; F496-M516 HydrophobicContact CB-CE 4.24Å; F496-M516 HydrophobicContact CD2-CE 3.76Å; F496-M516 HydrophobicContact CD2-SD 3.78Å; F496-M516 HydrophobicContact CE2-CE 4.38Å; F496-M516 HydrophobicContact CE2-SD 3.99Å; F496-M516 HydrophobicContact CG-CE 4.06Å; F496-L519 HydrophobicContact CD1-CB 4.17Å; F496-L519 HydrophobicContact CD1-CD1 3.93Å; F496-L519 HydrophobicContact CD1-CD2 4.25Å; F496-L519 HydrophobicContact CD1-CG 4.34Å; F496-L519 HydrophobicContact CE1-CB 3.74Å; F496-L519 HydrophobicContact CE1-CD1 4.33Å; F496-L519 HydrophobicContact CE1-CD2 4.06Å; F496-L519 HydrophobicContact CE1-CG 4.25Å; F496-L519 HydrophobicContact CE2-CB 4.28Å; F496-L519 HydrophobicContact CG-CD1 4.25Å; F496-L519 HydrophobicContact CZ-CB 3.79Å; F496-M520 HydrophobicContact CE2-CG 4.14Å; F496-V575 HydrophobicContact CB-CG1 4.2Å; F496-F576 CarbonylContact C-O 3.5Å; F496-F576 WeakPolarHBondContact CA-O 3.11Å; F496-N577 HydrophobicContact CD1-CB 4.47Å; F496-N577 HydrophobicContact CE1-CB 4.41Å
497	M	97.2	Very high	95	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123	-179.7	-62.9	171.8	-68.2	0	0	111.3	D295 F297 V485 V575 F576 R578 L581	D295-M497 HydrophobicContact CB-CG 4.23Å; D295-M497 CarbonylContact O-C 3.51Å; D295-M497 WeakPolarHBondContact O-CA 3.49Å; F297-M497 HydrophobicContact CE2-CB 4.18Å; F297-M497 HydrophobicContact CE2-CG 4.08Å; F297-M497 HydrophobicContact CE2-SD 3.45Å; F297-M497 WeakPolarHBondContact CE2-SD 3.35Å; F297-M497 HydrophobicContact CZ-CB 4.4Å; F297-M497 HydrophobicContact CZ-CG 3.93Å; F297-M497 HydrophobicContact CZ-SD 3.5Å; F297-M497 WeakPolarHBondContact CZ-SD 3.41Å; V485-M497 HydrophobicContact CG1-SD 4.48Å; V485-M497 HydrophobicContact CG2-CE 4.47Å; V485-M497 HydrophobicContact CG2-SD 4.12Å; M497-V575 CarbonylContact O-C 3.47Å; M497-V575 WeakPolarHBondContact O-CA 3.49Å; M497-F576 PolarHBondContact N-O 2.97Å; M497-F576 PolarHBondContact O-N 3.11Å; M497-R578 HydrophobicContact CE-CB 3.66Å; M497-R578 HydrophobicContact CE-CG 3.87Å; M497-R578 VanDerWaalsContact CG-NH2 3.27Å; M497-R578 PolarHBondContact SD-NH1 3.1Å; M497-R578 VanDerWaalsContact SD-NH1 3.39Å; M497-R578 PolarHBondContact SD-NH2 2.85Å; M497-L581 HydrophobicContact CE-CD1 3.24Å
498	L	98.3	Very high	95	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.2	171.3	169.8	60	0	0	0	109.5	V294 D295 V296 F297 L500 I506 I512 C574 V575 F772	V294-L498 HydrophobicContact CG1-CB 4.35Å; D295-L498 PolarHBondContact O-N 3.4Å; V296-L498 CarbonylContact C-O 3.43Å; V296-L498 WeakPolarHBondContact CA-O 3.41Å; V296-L498 HydrophobicContact CG1-CB 4.32Å; V296-L498 HydrophobicContact CG1-CD2 4.02Å; V296-L498 HydrophobicContact CG1-CG 4.14Å; V296-L498 HydrophobicContact CG2-CB 4.24Å; V296-L498 HydrophobicContact CG2-CD2 4.27Å; F297-L498 PolarHBondContact N-O 3.42Å; L498-L500 HydrophobicContact CD1-CD2 4.28Å; L498-L500 HydrophobicContact CD1-CG 4.36Å; L498-L500 HydrophobicContact CD2-CD1 4.09Å; L498-L500 HydrophobicContact CD2-CG 4.35Å; L498-L500 HydrophobicContact CG-CD1 4.39Å; L498-L500 HydrophobicContact CG-CG 4.14Å; L498-I506 HydrophobicContact CD2-CD1 4.46Å; L498-I512 HydrophobicContact CD2-CG1 4.4Å; L498-C574 WeakPolarHBondContact CA-O 3.37Å; L498-V575 HydrophobicContact CB-CG2 4.14Å; L498-V575 HydrophobicContact CD1-CG2 3.78Å; L498-V575 HydrophobicContact CG-CG2 4.45Å; L498-F772 HydrophobicContact CD1-CE1 4.27Å; L498-F772 HydrophobicContact CD1-CE2 4.31Å; L498-F772 HydrophobicContact CD1-CZ 3.69Å; L498-F772 HydrophobicContact CD2-CE1 3.98Å; L498-F772 HydrophobicContact CD2-CZ 3.96Å; L498-F772 HydrophobicContact CG-CZ 4.5Å
499	N	97.2	Very high	95.1	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.8	172.1	85	-68	0	0	0	112.3	M481 Y569 G571 T572 G573 C574	M481-N499 HydrophobicContact CE-CB 3.56Å; N499-Y569 PolarHBondContact ND2-OH 2.91Å; N499-G571 PolarHBondContact ND2-O 3.4Å; N499-T572 WeakPolarHBondContact ND2-CA 3.34Å; N499-G573 PolarHBondContact O-N 2.63Å; N499-C574 PolarHBondContact N-O 3.47Å; N499-C574 VanDerWaalsContact OD1-CB 3.24Å; N499-C574 WeakPolarHBondContact OD1-CB 3.34Å; N499-C574 PolarHBondContact OD1-N 2.99Å; N499-C574 PolarHBondContact OD1-O 3.42Å; N499-C574 VanDerWaalsContact OD1-O 3.06Å
500	L	96.5	Very high	95.2	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.4	178.8	-65.6	173	0	0	0	110.9	V296 F297 V298 S299 I318 L498 H504 I506 T572 F772	V296-L500 HydrophobicContact CG1-CD1 4.04Å; F297-L500 PolarHBondContact O-N 3.21Å; V298-L500 WeakPolarHBondContact CA-O 3.15Å; S299-L500 PolarHBondContact N-O 2.99Å; I318-L500 HydrophobicContact CD1-CD1 3.84Å; I318-L500 HydrophobicContact CG1-CD1 3.99Å; L498-L500 HydrophobicContact CD1-CD2 4.28Å; L498-L500 HydrophobicContact CD1-CG 4.36Å; L498-L500 HydrophobicContact CD2-CD1 4.09Å; L498-L500 HydrophobicContact CD2-CG 4.35Å; L498-L500 HydrophobicContact CG-CD1 4.39Å; L498-L500 HydrophobicContact CG-CG 4.14Å; L500-H504 HydrophobicContact CD2-CB 4.45Å; L500-I506 HydrophobicContact CD1-CG1 4.18Å; L500-T572 WeakPolarHBondContact CA-OG1 3.38Å; L500-F772 HydrophobicContact CD1-CE1 4.37Å; L500-F772 HydrophobicContact CD2-CD1 3.57Å; L500-F772 HydrophobicContact CD2-CE1 3.76Å; L500-F772 HydrophobicContact CD2-CG 4.06Å; L500-F772 HydrophobicContact CD2-CZ 4.36Å
501	D	93	Very high	95.4	Very high	31 Å²	31	7.4 Å²	7.4	17%	0.166	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	151.4	162.2	-69.4	-25.8	0	0	0	109.4	K477 D503 H504 T572	K477-D501 IonicContact NZ-OD1 3.92Å; K477-D501 PolarHBondContact NZ-OD1 2.69Å; D501-D503 WeakPolarHBondContact CB-OD1 3.07Å; D501-D503 PolarHBondContact O-N 2.84Å; D501-H504 HydrophobicContact CB-CB 4.39Å; D501-H504 PolarHBondContact O-N 3.29Å; D501-T572 PolarHBondContact N-OG1 3.4Å; D501-T572 VanDerWaalsContact N-OG1 3.1Å
502	C	91.8	Very high	95.6	Very high	3 Å²	3	7 Å²	7	2%	0.02	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23	178.8	61.8	0	0	0	0	113.7	V298 S299 E306 T311 T314	V298-C502 HydrophobicContact CG1-CB 4.16Å; S299-C502 PolarHBondContact O-N 3.17Å; E306-C502 PolarHBondContact OE2-SG 2.78Å; T311-C502 HydrophobicContact CG2-CB 4.18Å; T314-C502 VanDerWaalsContact CB-O 3.32Å; T314-C502 WeakPolarHBondContact CB-O 3.22Å; T314-C502 PolarHBondContact OG1-O 3.27Å
503	D	90.2	Very high	95.8	Very high	10 Å²	10	6.6 Å²	6.6	5%	0.053	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	10.9	178.3	75.4	-25.3	0	0	0	114.1	I310 D501 G774 S775 K927	I310-D503 HydrophobicContact CG2-CB 3.97Å; D501-D503 WeakPolarHBondContact CB-OD1 3.07Å; D501-D503 PolarHBondContact O-N 2.84Å; D503-G774 WeakPolarHBondContact O-CA 3.46Å; D503-S775 PolarHBondContact O-N 3.28Å; D503-K927 IonicContact OD1-NZ 2.71Å; D503-K927 WeakPolarHBondContact OD2-CD 3.37Å; D503-K927 WeakPolarHBondContact OD2-CE 3.39Å; D503-K927 IonicContact OD2-NZ 2.84Å; D503-K927 PolarHBondContact OD2-NZ 2.96Å
504	H	94.1	Very high	96	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.009	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	100	178.9	-81.7	71.3	0	0	0	111.8	T314 L500 D501 F537 K773	T314-H504 VanDerWaalsContact CG2-O 3.28Å; T314-H504 WeakPolarHBondContact CG2-O 3.45Å; L500-H504 HydrophobicContact CD2-CB 4.45Å; D501-H504 HydrophobicContact CB-CB 4.39Å; D501-H504 PolarHBondContact O-N 3.29Å; H504-F537 AromaticContact CE1-CE1 3.8Å; H504-F537 AromaticContact NE2-CE1 3.6Å; H504-K773 CarbonylContact C-O 3.49Å; H504-K773 WeakPolarHBondContact CA-O 3.35Å
505	Y	96	Very high	96.1	Very high	6 Å²	6	7.3 Å²	7.3	2%	0.024	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	158.8	178.8	71.2	-87.7	0	0	0	112.4	P366 A368 F371 N507 D538 F772 K773	P366-Y505 HydrophobicContact CB-CE2 3.87Å; P366-Y505 HydrophobicContact CG-CE2 4.4Å; A368-Y505 HydrophobicContact CB-CD2 3.44Å; A368-Y505 VanDerWaalsContact CB-CD2 3.44Å; A368-Y505 HydrophobicContact CB-CE2 4.04Å; A368-Y505 HydrophobicContact CB-CG 3.73Å; F371-Y505 HydrophobicContact CB-CE2 4.35Å; F371-Y505 HydrophobicContact CD1-CE1 4.11Å; F371-Y505 AromaticContact CD2-CD1 3.61Å; F371-Y505 HydrophobicContact CD2-CD1 3.61Å; F371-Y505 HydrophobicContact CD2-CD2 4.34Å; F371-Y505 AromaticContact CD2-CE1 3.29Å; F371-Y505 HydrophobicContact CD2-CE1 3.29Å; F371-Y505 HydrophobicContact CD2-CE2 4.07Å; F371-Y505 HydrophobicContact CD2-CG 4.13Å; F371-Y505 AromaticContact CD2-CZ 3.54Å; F371-Y505 HydrophobicContact CE1-CE1 4.06Å; F371-Y505 AromaticContact CE2-CD1 3.38Å; F371-Y505 HydrophobicContact CE2-CD1 3.38Å; F371-Y505 AromaticContact CE2-CE1 3.23Å; F371-Y505 HydrophobicContact CE2-CE1 3.23Å; F371-Y505 HydrophobicContact CE2-CG 4.24Å; F371-Y505 AromaticContact CE2-CZ 3.98Å; F371-Y505 HydrophobicContact CG-CD1 4.48Å; F371-Y505 AromaticContact CG-CE1 3.75Å; F371-Y505 HydrophobicContact CG-CE1 3.75Å; F371-Y505 HydrophobicContact CG-CE2 4.29Å; F371-Y505 AromaticContact CG-CZ 3.62Å; F371-Y505 HydrophobicContact CZ-CD1 4.11Å; F371-Y505 AromaticContact CZ-CE1 3.63Å; F371-Y505 HydrophobicContact CZ-CE1 3.63Å; Y505-N507 HydrophobicContact CD2-CB 4.24Å; Y505-N507 HydrophobicContact CE2-CB 3.69Å; Y505-N507 PolarHBondContact O-N 3.18Å; Y505-D538 VanDerWaalsContact CE1-OD2 3.3Å; Y505-D538 WeakPolarHBondContact CE1-OD2 3.27Å; Y505-D538 PolarHBondContact OH-OD2 2.75Å; Y505-F772 WeakPolarHBondContact O-CA 3.45Å; Y505-K773 HydrophobicContact CD1-CB 4.36Å; Y505-K773 WeakPolarHBondContact CD1-O 3.29Å; Y505-K773 HydrophobicContact CE1-CB 3.61Å; Y505-K773 WeakPolarHBondContact CE1-O 3.08Å; Y505-K773 HydrophobicContact CE2-CB 4.25Å; Y505-K773 PolarHBondContact N-O 3.43Å; Y505-K773 PolarHBondContact O-N 3.32Å; Y505-K773 VanDerWaalsContact O-N 3.16Å; Y505-K773 WeakPolarHBondContact OH-CD 3.27Å
506	I	97.1	Very high	96.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	103.8	172.1	-54.5	-165.9	0	0	0	108.5	S317 I318 V321 L498 L500 N508 A511 F772	S317-I506 PolarHBondContact OG-N 3.22Å; I318-I506 HydrophobicContact CB-CD1 4.42Å; I318-I506 HydrophobicContact CG1-CD1 3.92Å; I318-I506 HydrophobicContact CG1-CG1 4.08Å; V321-I506 HydrophobicContact CB-CD1 4.43Å; V321-I506 HydrophobicContact CG2-CD1 4.13Å; L498-I506 HydrophobicContact CD2-CD1 4.46Å; L500-I506 HydrophobicContact CD1-CG1 4.18Å; I506-N508 WeakPolarHBondContact CG2-O 3.45Å; I506-A511 HydrophobicContact CG2-CB 4.38Å; I506-F772 HydrophobicContact CD1-CE1 4.41Å; I506-F772 HydrophobicContact CG1-CD1 4.18Å; I506-F772 HydrophobicContact CG1-CE1 3.95Å
507	N	96.4	Very high	96	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.029	C	C	.	.	S	Bend	trans	-82.4	-27.2	178.5	175.2	63.1	0	0	0	112.6	Y505 R769 P770 A771 K773	Y505-N507 HydrophobicContact CD2-CB 4.24Å; Y505-N507 HydrophobicContact CE2-CB 3.69Å; Y505-N507 PolarHBondContact O-N 3.18Å; N507-R769 PolarHBondContact O-NE 3.06Å; N507-R769 PolarHBondContact O-NH2 3.35Å; N507-R769 PolarHBondContact OD1-NH2 3.3Å; N507-R769 VanDerWaalsContact OD1-NH2 3.1Å; N507-P770 WeakPolarHBondContact CB-O 3.47Å; N507-P770 PolarHBondContact ND2-O 2.92Å; N507-A771 PolarHBondContact N-O 3.23Å; N507-K773 HydrophobicContact CB-CB 4.14Å; N507-K773 HydrophobicContact CB-CD 3.99Å; N507-K773 HydrophobicContact CB-CG 3.9Å
508	N	97	Very high	96	Very high	13 Å²	13	5.9 Å²	5.9	7%	0.07	3%	0.029	C	C	.	.	S	Bend	trans	-117.9	110	172.6	177.5	-0.8	0	0	0	108.6	I506 K510 A511 R769 A771	I506-N508 WeakPolarHBondContact CG2-O 3.45Å; N508-K510 PolarHBondContact O-N 2.98Å; N508-K510 WeakPolarHBondContact OD1-CB 3.33Å; N508-K510 PolarHBondContact OD1-N 3.02Å; N508-A511 VanDerWaalsContact O-CB 3.23Å; N508-A511 WeakPolarHBondContact O-CB 3.5Å; N508-A511 PolarHBondContact O-N 2.92Å; N508-R769 HydrophobicContact CB-CB 4.35Å; N508-R769 HydrophobicContact CB-CG 4.06Å; N508-R769 PolarHBondContact ND2-O 3Å; N508-A771 PolarHBondContact N-O 3.25Å; N508-A771 VanDerWaalsContact N-O 3.12Å
509	S	96.5	Very high	95.9	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.007	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.6	-178.5	70	0	0	0	0	114.8	V321 D322 E365 R367 A511	V321-S509 WeakPolarHBondContact CG2-O 3.26Å; D322-S509 PolarHBondContact N-O 3.29Å; E365-S509 WeakPolarHBondContact OE1-CB 3.34Å; E365-S509 PolarHBondContact OE1-OG 3.47Å; E365-S509 PolarHBondContact OE2-N 3.48Å; R367-S509 VanDerWaalsContact CZ-OG 3.32Å; R367-S509 PolarHBondContact NE-OG 2.91Å; R367-S509 PolarHBondContact NH2-OG 3.13Å; S509-A511 VanDerWaalsContact C-N 3.32Å
510	K	96.2	Very high	95.6	Very high	17 Å²	17	7.6 Å²	7.6	7%	0.074	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.6	178.1	-59.6	173.6	-171.9	174.2	0	112.9	D154 W157 L275 D322 N508 I512 R513 E514	D154-K510 WeakPolarHBondContact OD1-CE 3.36Å; D154-K510 IonicContact OD1-NZ 3.96Å; D154-K510 PolarHBondContact OD1-NZ 3.48Å; W157-K510 VanDerWaalsContact CD2-NZ 3.32Å; L275-K510 HydrophobicContact CD1-CB 3.88Å; L275-K510 HydrophobicContact CD1-CD 3.81Å; L275-K510 HydrophobicContact CD1-CG 4.31Å; D322-K510 HydrophobicContact CB-CG 4.34Å; N508-K510 PolarHBondContact O-N 2.98Å; N508-K510 WeakPolarHBondContact OD1-CB 3.33Å; N508-K510 PolarHBondContact OD1-N 3.02Å; K510-I512 VanDerWaalsContact C-N 3.25Å; K510-I512 PolarHBondContact O-N 2.72Å; K510-I512 VanDerWaalsContact O-N 3.12Å; K510-R513 WeakPolarHBondContact O-CA 3.17Å; K510-R513 WeakPolarHBondContact O-CB 3.06Å; K510-R513 PolarHBondContact O-N 3.46Å; K510-E514 WeakPolarHBondContact O-CG 3.5Å; K510-E514 PolarHBondContact O-N 3.22Å
511	A	97	Very high	95.3	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-52.3	-38	-175.7	0	0	0	0	0	114.2	I506 N508 S509 E514 S515 F533 A771 F772	I506-A511 HydrophobicContact CG2-CB 4.38Å; N508-A511 VanDerWaalsContact O-CB 3.23Å; N508-A511 WeakPolarHBondContact O-CB 3.5Å; N508-A511 PolarHBondContact O-N 2.92Å; S509-A511 VanDerWaalsContact C-N 3.32Å; A511-E514 WeakPolarHBondContact O-CB 3.42Å; A511-E514 PolarHBondContact O-N 2.78Å; A511-S515 PolarHBondContact O-N 2.86Å; A511-F533 WeakPolarHBondContact O-CZ 3.31Å; A511-A771 HydrophobicContact CB-CB 3.84Å; A511-F772 HydrophobicContact CB-CE1 4.28Å; A511-F772 HydrophobicContact CB-CZ 4.02Å
512	I	97.6	Very high	94.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.4	-44.4	176.2	-61.1	-177.7	0	0	0	110.4	V294 V296 V321 Y323 L498 K510 E514 S515 M516	V294-I512 HydrophobicContact CB-CG2 4.35Å; V294-I512 HydrophobicContact CG2-CG2 3.77Å; V296-I512 HydrophobicContact CG2-CD1 4.41Å; V321-I512 HydrophobicContact CB-CD1 4.49Å; V321-I512 HydrophobicContact CG1-CD1 4.08Å; V321-I512 HydrophobicContact CG2-CD1 3.82Å; V321-I512 HydrophobicContact CG2-CG1 4.07Å; Y323-I512 HydrophobicContact CD2-CB 4.2Å; Y323-I512 HydrophobicContact CD2-CG2 3.77Å; Y323-I512 HydrophobicContact CE1-CG2 4.44Å; Y323-I512 HydrophobicContact CE2-CB 4.47Å; Y323-I512 HydrophobicContact CE2-CG2 3.64Å; Y323-I512 HydrophobicContact CG-CG2 4.22Å; L498-I512 HydrophobicContact CD2-CG1 4.4Å; K510-I512 VanDerWaalsContact C-N 3.25Å; K510-I512 PolarHBondContact O-N 2.72Å; K510-I512 VanDerWaalsContact O-N 3.12Å; I512-E514 VanDerWaalsContact C-N 3.3Å; I512-E514 PolarHBondContact O-N 3.12Å; I512-S515 PolarHBondContact O-N 3.07Å; I512-S515 VanDerWaalsContact O-N 3.11Å; I512-S515 PolarHBondContact O-OG 3.18Å; I512-M516 WeakPolarHBondContact O-CG 3.21Å; I512-M516 PolarHBondContact O-N 2.82Å
513	R	96.9	Very high	94.2	Very high	17 Å²	17	14 Å²	14	6%	0.064	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-40.5	176.1	-60	179.5	-178.6	-109.5	-4	111.8	L275 L278 S279 E283 D322 Y323 K510 S515 M516 C517	L275-R513 HydrophobicContact CD2-CB 3.79Å; L278-R513 HydrophobicContact CD2-CB 3.88Å; L278-R513 HydrophobicContact CD2-CG 4.48Å; L278-R513 WeakPolarHBondContact CD2-O 3.37Å; S279-R513 PolarHBondContact OG-NH1 2.87Å; E283-R513 IonicContact OE1-CZ 3.58Å; E283-R513 IonicContact OE1-NH1 2.66Å; E283-R513 PolarHBondContact OE1-NH1 3.29Å; E283-R513 IonicContact OE1-NH2 2.65Å; E283-R513 PolarHBondContact OE1-NH2 2.61Å; E283-R513 IonicContact OE2-CZ 2.74Å; E283-R513 IonicContact OE2-NH1 3.61Å; E283-R513 PolarHBondContact OE2-NH1 3.06Å; D322-R513 PolarHBondContact O-NE 2.83Å; D322-R513 IonicContact OD1-CZ 3.71Å; D322-R513 IonicContact OD1-NE 3.67Å; D322-R513 PolarHBondContact OD1-NE 3.29Å; D322-R513 IonicContact OD1-NH2 3.23Å; D322-R513 PolarHBondContact OD1-NH2 3.4Å; D322-R513 IonicContact OD2-NE 3.75Å; Y323-R513 HydrophobicContact CD2-CG 4.02Å; Y323-R513 HydrophobicContact CE2-CG 4.35Å; K510-R513 WeakPolarHBondContact O-CA 3.17Å; K510-R513 WeakPolarHBondContact O-CB 3.06Å; K510-R513 PolarHBondContact O-N 3.46Å; R513-S515 VanDerWaalsContact C-N 3.26Å; R513-S515 PolarHBondContact O-N 3.34Å; R513-M516 WeakPolarHBondContact O-CB 3.33Å; R513-M516 PolarHBondContact O-N 3.05Å; R513-C517 PolarHBondContact O-N 3.01Å; R513-C517 VanDerWaalsContact O-N 3.14Å
514	E	97.5	Very high	94	Very high	16 Å²	16	14.7 Å²	14.7	8%	0.075	8%	0.076	C	C	.	.	H	α-helix	trans	-56.6	-42.1	175.1	-60.8	-71.3	-164	0	0	111.7	T273 L275 K510 A511 I512 C517 F518 F533 P767	T273-E514 WeakPolarHBondContact CB-OE2 3.4Å; T273-E514 PolarHBondContact OG1-OE2 3.06Å; L275-E514 HydrophobicContact CD2-CG 4.28Å; L275-E514 WeakPolarHBondContact CD2-OE2 3.34Å; K510-E514 WeakPolarHBondContact O-CG 3.5Å; K510-E514 PolarHBondContact O-N 3.22Å; A511-E514 WeakPolarHBondContact O-CB 3.42Å; A511-E514 PolarHBondContact O-N 2.78Å; I512-E514 VanDerWaalsContact C-N 3.3Å; I512-E514 PolarHBondContact O-N 3.12Å; E514-C517 WeakPolarHBondContact O-CB 3.04Å; E514-C517 PolarHBondContact O-N 2.47Å; E514-F518 WeakPolarHBondContact O-CD2 3.45Å; E514-F533 HydrophobicContact CB-CE1 4.14Å; E514-F533 HydrophobicContact CB-CZ 4.15Å; E514-P767 HydrophobicContact CG-CB 4.32Å
515	S	97.6	Very high	93.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69.1	-34.8	176.7	77	0	0	0	0	112.7	A511 I512 R513 C517 F518 L519	A511-S515 PolarHBondContact O-N 2.86Å; I512-S515 PolarHBondContact O-N 3.07Å; I512-S515 VanDerWaalsContact O-N 3.11Å; I512-S515 PolarHBondContact O-OG 3.18Å; R513-S515 VanDerWaalsContact C-N 3.26Å; R513-S515 PolarHBondContact O-N 3.34Å; S515-C517 VanDerWaalsContact C-N 3.31Å; S515-C517 PolarHBondContact O-N 3.41Å; S515-F518 PolarHBondContact O-N 3.26Å; S515-F518 VanDerWaalsContact O-N 3.12Å; S515-L519 PolarHBondContact O-N 2.91Å
516	M	96.9	Very high	93.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.5	-29.7	178.6	-67.6	-55.5	105.9	0	0	112.7	L278 A292 V294 Y323 F496 I512 R513 F518 L519 M520 V575	L278-M516 HydrophobicContact CD1-CB 4.15Å; L278-M516 HydrophobicContact CD2-CB 4Å; A292-M516 HydrophobicContact CB-SD 4.34Å; V294-M516 HydrophobicContact CG2-CE 3.97Å; V294-M516 HydrophobicContact CG2-SD 4.43Å; Y323-M516 HydrophobicContact CE2-CG 4.14Å; F496-M516 HydrophobicContact CB-CE 4.24Å; F496-M516 HydrophobicContact CD2-CE 3.76Å; F496-M516 HydrophobicContact CD2-SD 3.78Å; F496-M516 HydrophobicContact CE2-CE 4.38Å; F496-M516 HydrophobicContact CE2-SD 3.99Å; F496-M516 HydrophobicContact CG-CE 4.06Å; I512-M516 WeakPolarHBondContact O-CG 3.21Å; I512-M516 PolarHBondContact O-N 2.82Å; R513-M516 WeakPolarHBondContact O-CB 3.33Å; R513-M516 PolarHBondContact O-N 3.05Å; M516-F518 PolarHBondContact O-N 3Å; M516-F518 VanDerWaalsContact O-N 3.09Å; M516-L519 HydrophobicContact CE-CB 4.27Å; M516-L519 HydrophobicContact CE-CD1 3.75Å; M516-L519 PolarHBondContact O-N 3.41Å; M516-M520 HydrophobicContact CB-CG 4.2Å; M516-M520 HydrophobicContact CB-SD 3.98Å; M516-M520 HydrophobicContact CG-CG 4.48Å; M516-M520 HydrophobicContact CG-SD 4.06Å; M516-M520 WeakPolarHBondContact O-CB 3.48Å; M516-M520 PolarHBondContact O-N 3.42Å; M516-M520 HydrophobicContact SD-CG 3.75Å; M516-M520 HydrophobicContact SD-SD 3.75Å; M516-V575 HydrophobicContact CE-CG1 4.28Å
517	C	95.8	Very high	93	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-53.8	-29.9	171.5	-70.2	0	0	0	0	112.8	L200 T273 R513 E514 S515	L200-C517 HydrophobicContact CB-CB 4.1Å; L200-C517 WeakPolarHBondContact CB-O 3.18Å; T273-C517 HydrophobicContact CG2-CB 3.84Å; R513-C517 PolarHBondContact O-N 3.01Å; R513-C517 VanDerWaalsContact O-N 3.14Å; E514-C517 WeakPolarHBondContact O-CB 3.04Å; E514-C517 PolarHBondContact O-N 2.47Å; S515-C517 VanDerWaalsContact C-N 3.31Å; S515-C517 PolarHBondContact O-N 3.41Å
518	F	96.5	Very high	93	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-98.7	-44.1	177.8	-55.2	-73.9	0	0	0	113.1	W201 R271 T273 E514 S515 M516 D521 L524 G525 L528 V531 V763 C765	W201-F518 HydrophobicContact CB-CD1 3.94Å; W201-F518 HydrophobicContact CB-CE1 3.45Å; W201-F518 VanDerWaalsContact CB-CE1 3.45Å; W201-F518 HydrophobicContact CB-CZ 4.07Å; W201-F518 AromaticContact CD1-CD1 3.89Å; W201-F518 AromaticContact CD2-CD1 3.74Å; W201-F518 HydrophobicContact CD2-CD1 3.74Å; W201-F518 AromaticContact CD2-CE1 3.65Å; W201-F518 HydrophobicContact CD2-CE1 3.65Å; W201-F518 HydrophobicContact CE3-CD1 4.21Å; W201-F518 AromaticContact CE3-CE1 3.79Å; W201-F518 HydrophobicContact CE3-CE1 3.79Å; W201-F518 AromaticContact CG-CD1 3.54Å; W201-F518 HydrophobicContact CG-CD1 3.54Å; W201-F518 AromaticContact CG-CE1 3.47Å; W201-F518 HydrophobicContact CG-CE1 3.47Å; W201-F518 VanDerWaalsContact CG-CE1 3.47Å; R271-F518 HydrophobicContact CB-CE1 4.34Å; R271-F518 HydrophobicContact CB-CZ 4.07Å; T273-F518 HydrophobicContact CG2-CD2 4.32Å; T273-F518 HydrophobicContact CG2-CE1 4.4Å; T273-F518 HydrophobicContact CG2-CE2 3.35Å; T273-F518 HydrophobicContact CG2-CZ 3.41Å; T273-F518 VanDerWaalsContact CG2-CZ 3.41Å; E514-F518 WeakPolarHBondContact O-CD2 3.45Å; S515-F518 PolarHBondContact O-N 3.26Å; S515-F518 VanDerWaalsContact O-N 3.12Å; M516-F518 PolarHBondContact O-N 3Å; M516-F518 VanDerWaalsContact O-N 3.09Å; F518-D521 VanDerWaalsContact O-CB 3.29Å; F518-D521 WeakPolarHBondContact O-CB 3.38Å; F518-D521 PolarHBondContact O-N 2.86Å; F518-L524 HydrophobicContact CD1-CD2 4.35Å; F518-G525 WeakPolarHBondContact O-CA 3.23Å; F518-G525 PolarHBondContact O-N 3.24Å; F518-L528 HydrophobicContact CB-CD1 3.8Å; F518-V531 HydrophobicContact CB-CG2 4.02Å; F518-V531 HydrophobicContact CD2-CG1 4.31Å; F518-V531 HydrophobicContact CD2-CG2 4.29Å; F518-V763 HydrophobicContact CD1-CG1 3.89Å; F518-V763 HydrophobicContact CD1-CG2 4.45Å; F518-V763 HydrophobicContact CD2-CG1 3.97Å; F518-V763 HydrophobicContact CE1-CG1 3.96Å; F518-V763 HydrophobicContact CE2-CG1 4.05Å; F518-V763 HydrophobicContact CG-CG1 3.89Å; F518-V763 HydrophobicContact CZ-CG1 4.04Å; F518-C765 HydrophobicContact CE2-CB 4.02Å
519	L	95.7	Very high	93	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-73.9	-32.5	-173	-71.8	169.4	0	0	0	112.7	F496 S515 M516 D521 G525 L528 V531 V575	F496-L519 HydrophobicContact CD1-CB 4.17Å; F496-L519 HydrophobicContact CD1-CD1 3.93Å; F496-L519 HydrophobicContact CD1-CD2 4.25Å; F496-L519 HydrophobicContact CD1-CG 4.34Å; F496-L519 HydrophobicContact CE1-CB 3.74Å; F496-L519 HydrophobicContact CE1-CD1 4.33Å; F496-L519 HydrophobicContact CE1-CD2 4.06Å; F496-L519 HydrophobicContact CE1-CG 4.25Å; F496-L519 HydrophobicContact CE2-CB 4.28Å; F496-L519 HydrophobicContact CG-CD1 4.25Å; F496-L519 HydrophobicContact CZ-CB 3.79Å; S515-L519 PolarHBondContact O-N 2.91Å; M516-L519 HydrophobicContact CE-CB 4.27Å; M516-L519 HydrophobicContact CE-CD1 3.75Å; M516-L519 PolarHBondContact O-N 3.41Å; L519-D521 VanDerWaalsContact C-N 3.35Å; L519-G525 WeakPolarHBondContact O-CA 3.22Å; L519-L528 HydrophobicContact CD2-CB 4.16Å; L519-L528 HydrophobicContact CD2-CD1 4.47Å; L519-V531 HydrophobicContact CD1-CG2 4.06Å; L519-V531 HydrophobicContact CD2-CG2 4.15Å; L519-V531 HydrophobicContact CG-CG2 3.77Å; L519-V575 HydrophobicContact CD1-CB 3.98Å; L519-V575 HydrophobicContact CD1-CG1 3.46Å; L519-V575 VanDerWaalsContact CD1-CG1 3.46Å
520	M	92.3	Very high	93.1	Very high	31 Å²	31	22.6 Å²	22.6	15%	0.153	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.7	174.9	-60.3	-176.1	70.1	0	0	112.9	F282 K290 L291 A292 F496 M516 P522	F282-M520 HydrophobicContact CD1-CE 3.73Å; F282-M520 HydrophobicContact CD2-CE 4.4Å; F282-M520 HydrophobicContact CE1-CE 3.62Å; F282-M520 HydrophobicContact CE2-CB 4.35Å; F282-M520 HydrophobicContact CE2-CE 4.3Å; F282-M520 HydrophobicContact CG-CE 4.13Å; F282-M520 HydrophobicContact CZ-CB 4.2Å; F282-M520 HydrophobicContact CZ-CE 3.92Å; K290-M520 WeakPolarHBondContact O-CE 3.32Å; L291-M520 HydrophobicContact CD2-SD 3.99Å; A292-M520 HydrophobicContact CB-CE 4.2Å; A292-M520 HydrophobicContact CB-CG 4.36Å; A292-M520 HydrophobicContact CB-SD 3.98Å; A292-M520 PolarHBondContact N-SD 3.17Å; A292-M520 VanDerWaalsContact N-SD 3.44Å; F496-M520 HydrophobicContact CE2-CG 4.14Å; M516-M520 HydrophobicContact CB-CG 4.2Å; M516-M520 HydrophobicContact CB-SD 3.98Å; M516-M520 HydrophobicContact CG-CG 4.48Å; M516-M520 HydrophobicContact CG-SD 4.06Å; M516-M520 WeakPolarHBondContact O-CB 3.48Å; M516-M520 PolarHBondContact O-N 3.42Å; M516-M520 HydrophobicContact SD-CG 3.75Å; M516-M520 HydrophobicContact SD-SD 3.75Å; M520-P522 WeakPolarHBondContact O-CD 3.42Å
521	D	89.6	Confident	93.2	Very high	14 Å²	14	21.8 Å²	21.8	8%	0.075	11%	0.107	C	C	.	.			trans	-64.8	124.6	172.3	-176.9	-76	0	0	0	109.7	W201 F518 L519 Q523 L524 G525	W201-D521 PolarHBondContact NE1-OD2 3.11Å; F518-D521 VanDerWaalsContact O-CB 3.29Å; F518-D521 WeakPolarHBondContact O-CB 3.38Å; F518-D521 PolarHBondContact O-N 2.86Å; L519-D521 VanDerWaalsContact C-N 3.35Å; D521-Q523 PolarHBondContact O-N 2.66Å; D521-Q523 WeakPolarHBondContact OD1-CA 3.12Å; D521-Q523 WeakPolarHBondContact OD1-CB 3.05Å; D521-Q523 PolarHBondContact OD1-N 3.39Å; D521-L524 HydrophobicContact CB-CB 4.19Å; D521-L524 PolarHBondContact OD1-N 3.47Å; D521-G525 VanDerWaalsContact O-CA 3.29Å; D521-G525 WeakPolarHBondContact O-CA 3.37Å; D521-G525 PolarHBondContact O-N 2.89Å
522	P	81.5	Confident	93.2	Very high	65 Å²	65	21.8 Å²	21.8	42%	0.422	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.8	-175	-26.8	34.4	0	0	0	115.3	M520	M520-P522 WeakPolarHBondContact O-CD 3.42Å
523	Q	79.3	Confident	93.2	Very high	89 Å²	89	21.8 Å²	21.8	42%	0.416	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-46.4	-171.5	-50.8	-168.3	-8.9	0	0	112.7	N62 D521	N62-Q523 PolarHBondContact ND2-NE2 3.35Å; N62-Q523 PolarHBondContact ND2-OE1 2.68Å; N62-Q523 PolarHBondContact OD1-NE2 3.13Å; D521-Q523 PolarHBondContact O-N 2.66Å; D521-Q523 WeakPolarHBondContact OD1-CA 3.12Å; D521-Q523 WeakPolarHBondContact OD1-CB 3.05Å; D521-Q523 PolarHBondContact OD1-N 3.39Å
524	L	86.8	Confident	93.2	Very high	26 Å²	26	21.2 Å²	21.2	14%	0.136	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-47.2	179.8	-175.1	64.2	0	0	0	109.9	W201 F518 D521 K526 K527 L528 V763	W201-L524 HydrophobicContact CH2-CD2 3.84Å; W201-L524 HydrophobicContact CZ2-CB 4.11Å; W201-L524 HydrophobicContact CZ2-CD2 3.39Å; W201-L524 HydrophobicContact CZ2-CG 4.27Å; F518-L524 HydrophobicContact CD1-CD2 4.35Å; D521-L524 HydrophobicContact CB-CB 4.19Å; D521-L524 PolarHBondContact OD1-N 3.47Å; L524-K526 VanDerWaalsContact C-N 3.33Å; L524-K526 PolarHBondContact O-N 2.83Å; L524-K527 CarbonylContact O-C 3.59Å; L524-K527 WeakPolarHBondContact O-CA 3.43Å; L524-K527 PolarHBondContact O-N 3.43Å; L524-L528 HydrophobicContact CD1-CD2 3.84Å; L524-L528 HydrophobicContact CD1-CG 4.21Å; L524-L528 HydrophobicContact CD2-CD1 3.91Å; L524-L528 HydrophobicContact CD2-CD2 4.32Å; L524-L528 HydrophobicContact CD2-CG 4.38Å; L524-L528 HydrophobicContact CG-CD1 3.75Å; L524-L528 HydrophobicContact CG-CD2 3.87Å; L524-L528 HydrophobicContact CG-CG 3.76Å; L524-L528 WeakPolarHBondContact O-CG 3.46Å; L524-L528 PolarHBondContact O-N 3.18Å; L524-V763 HydrophobicContact CD2-CG2 4.05Å
525	G	89.2	Confident	92.9	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-52.7	-44.7	-171.8	0	0	0	0	0	113.8	F518 L519 D521 K527 L528	F518-G525 WeakPolarHBondContact O-CA 3.23Å; F518-G525 PolarHBondContact O-N 3.24Å; L519-G525 WeakPolarHBondContact O-CA 3.22Å; D521-G525 VanDerWaalsContact O-CA 3.29Å; D521-G525 WeakPolarHBondContact O-CA 3.37Å; D521-G525 PolarHBondContact O-N 2.89Å; G525-K527 PolarHBondContact O-N 3.08Å; G525-L528 PolarHBondContact O-N 2.91Å
526	K	86.7	Confident	92.7	Very high	118 Å²	118	23.8 Å²	23.8	51%	0.513	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-60.6	-17.9	176.9	-62.2	-172.1	179.2	-172.7	0	114.4	L524 P587	L524-K526 VanDerWaalsContact C-N 3.33Å; L524-K526 PolarHBondContact O-N 2.83Å; K526-P587 HydrophobicContact CB-CG 4.03Å; K526-P587 WeakPolarHBondContact O-CD 3.47Å
527	K	90.5	Very high	92.4	Very high	71 Å²	71	25.1 Å²	25.1	31%	0.309	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-110.6	2.8	-179.3	-61.2	174.2	-175.3	163.1	0	112.6	L524 G525 P587 K761	L524-K527 CarbonylContact O-C 3.59Å; L524-K527 WeakPolarHBondContact O-CA 3.43Å; L524-K527 PolarHBondContact O-N 3.43Å; G525-K527 PolarHBondContact O-N 3.08Å; K527-P587 HydrophobicContact CG-CG 4.46Å; K527-K761 PolarHBondContact O-N 2.66Å
528	L	95.8	Very high	91.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.7	178.8	-67.4	-175.2	0	0	0	111.7	F518 L519 L524 G525 N577 W760 K761 V763	F518-L528 HydrophobicContact CB-CD1 3.8Å; L519-L528 HydrophobicContact CD2-CB 4.16Å; L519-L528 HydrophobicContact CD2-CD1 4.47Å; L524-L528 HydrophobicContact CD1-CD2 3.84Å; L524-L528 HydrophobicContact CD1-CG 4.21Å; L524-L528 HydrophobicContact CD2-CD1 3.91Å; L524-L528 HydrophobicContact CD2-CD2 4.32Å; L524-L528 HydrophobicContact CD2-CG 4.38Å; L524-L528 HydrophobicContact CG-CD1 3.75Å; L524-L528 HydrophobicContact CG-CD2 3.87Å; L524-L528 HydrophobicContact CG-CG 3.76Å; L524-L528 WeakPolarHBondContact O-CG 3.46Å; L524-L528 PolarHBondContact O-N 3.18Å; G525-L528 PolarHBondContact O-N 2.91Å; L528-N577 VanDerWaalsContact O-CB 3.25Å; L528-N577 WeakPolarHBondContact O-CB 2.97Å; L528-N577 PolarHBondContact O-ND2 3.14Å; L528-W760 VanDerWaalsContact O-CZ3 3.23Å; L528-W760 WeakPolarHBondContact O-CZ3 3.37Å; L528-K761 CarbonylContact C-O 3.46Å; L528-K761 VanDerWaalsContact CA-O 3.25Å; L528-K761 WeakPolarHBondContact CA-O 3.45Å; L528-K761 HydrophobicContact CD2-CB 3.95Å; L528-V763 HydrophobicContact CD1-CG2 3.75Å; L528-V763 HydrophobicContact CD2-CG2 3.64Å; L528-V763 HydrophobicContact CG-CG2 4.36Å
529	C	96.5	Very high	90.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-35.9	169.7	54.2	0	0	0	0	112.5	F576 N577 A580 M755 W760 K761	C529-F576 WeakPolarHBondContact O-CA 3.03Å; C529-N577 PolarHBondContact O-N 2.72Å; C529-A580 HydrophobicContact CB-CB 3.57Å; C529-M755 HydrophobicContact CB-CB 4.1Å; C529-M755 HydrophobicContact CB-CG 4.36Å; C529-M755 HydrophobicContact CB-SD 3.7Å; C529-W760 HydrophobicContact CB-CB 3.55Å; C529-W760 HydrophobicContact CB-CD2 3.97Å; C529-W760 HydrophobicContact CB-CE3 4.07Å; C529-W760 HydrophobicContact CB-CG 3.77Å; C529-K761 PolarHBondContact N-O 3.48Å; C529-K761 PolarHBondContact SG-O 3.42Å
530	Y	98.3	Very high	90	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	161.1	176.6	53.4	-99.7	0	0	0	114.1	Q532 P567 Y569 C574 V575 F576 M755 H756 S762 V763	Y530-Q532 HydrophobicContact CD2-CB 4.37Å; Y530-P567 PolarHBondContact OH-O 2.91Å; Y530-P567 VanDerWaalsContact OH-O 3.12Å; Y530-Y569 PolarHBondContact OH-N 3.49Å; Y530-C574 VanDerWaalsContact CB-SG 3.52Å; Y530-C574 WeakPolarHBondContact CD2-SG 3.33Å; Y530-V575 CarbonylContact C-O 3.59Å; Y530-V575 WeakPolarHBondContact CA-O 3.3Å; Y530-V575 WeakPolarHBondContact CB-O 3.24Å; Y530-F576 AromaticContact CD1-CD1 3.83Å; Y530-F576 HydrophobicContact CD1-CD1 3.83Å; Y530-F576 AromaticContact CD1-CE1 3.49Å; Y530-F576 HydrophobicContact CD1-CE1 3.49Å; Y530-F576 VanDerWaalsContact CD1-CE1 3.49Å; Y530-F576 HydrophobicContact CD1-CZ 4.36Å; Y530-F576 HydrophobicContact CE1-CE1 4.24Å; Y530-F576 HydrophobicContact CG-CD1 4.14Å; Y530-F576 AromaticContact CG-CE1 3.93Å; Y530-F576 HydrophobicContact CG-CE1 3.93Å; Y530-M755 HydrophobicContact CD1-SD 3.76Å; Y530-M755 HydrophobicContact CE1-SD 3.83Å; Y530-H756 AromaticContact CZ-NE2 3.75Å; Y530-H756 PolarHBondContact OH-NE2 3.41Å; Y530-H756 VanDerWaalsContact OH-NE2 3.08Å; Y530-S762 VanDerWaalsContact CD2-CB 3.48Å; Y530-S762 VanDerWaalsContact O-CA 3.28Å; Y530-S762 WeakPolarHBondContact O-CA 3.4Å; Y530-S762 WeakPolarHBondContact O-CB 3.24Å; Y530-V763 PolarHBondContact O-N 3.02Å
531	V	98.4	Very high	89	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.9	168	-179.3	0	0	0	0	108.4	F518 L519 F533 C574 V575 V763 C765	F518-V531 HydrophobicContact CB-CG2 4.02Å; F518-V531 HydrophobicContact CD2-CG1 4.31Å; F518-V531 HydrophobicContact CD2-CG2 4.29Å; L519-V531 HydrophobicContact CD1-CG2 4.06Å; L519-V531 HydrophobicContact CD2-CG2 4.15Å; L519-V531 HydrophobicContact CG-CG2 3.77Å; V531-F533 HydrophobicContact CG1-CD2 4.38Å; V531-F533 HydrophobicContact CG1-CE2 3.84Å; V531-F533 HydrophobicContact CG1-CZ 4.16Å; V531-C574 WeakPolarHBondContact O-CA 3.38Å; V531-V575 PolarHBondContact N-O 2.95Å; V531-V575 PolarHBondContact O-N 2.84Å; V531-V763 CarbonylContact C-O 3.4Å; V531-V763 WeakPolarHBondContact CA-O 3.16Å; V531-V763 HydrophobicContact CG1-CG1 4.41Å; V531-V763 HydrophobicContact CG2-CB 4.33Å; V531-C765 HydrophobicContact CG1-CB 3.64Å
532	Q	98.2	Very high	88.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.1	177.9	-179.7	65.6	68.4	0	0	109.8	Y530 P567 V570 T572 G573 V763 Y764 C765	Y530-Q532 HydrophobicContact CD2-CB 4.37Å; Q532-P567 HydrophobicContact CB-CB 4.3Å; Q532-P567 HydrophobicContact CB-CG 3.81Å; Q532-V570 VanDerWaalsContact CD-CG2 3.5Å; Q532-V570 HydrophobicContact CG-CG2 4.18Å; Q532-T572 PolarHBondContact NE2-O 3.43Å; Q532-G573 PolarHBondContact NE2-O 3.2Å; Q532-V763 PolarHBondContact N-O 3.37Å; Q532-Y764 HydrophobicContact CB-CD2 4.41Å; Q532-Y764 HydrophobicContact CG-CD2 4.39Å; Q532-Y764 HydrophobicContact CG-CE2 4.47Å; Q532-Y764 VanDerWaalsContact O-CD2 3.27Å; Q532-Y764 WeakPolarHBondContact O-CD2 3.33Å; Q532-C765 PolarHBondContact O-N 2.85Å
533	F	98	Very high	87.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-101.2	154.1	171.4	-67	-96.6	0	0	0	110.9	A511 E514 V531 G573 V575 C765 P767 A771 F772	A511-F533 WeakPolarHBondContact O-CZ 3.31Å; E514-F533 HydrophobicContact CB-CE1 4.14Å; E514-F533 HydrophobicContact CB-CZ 4.15Å; V531-F533 HydrophobicContact CG1-CD2 4.38Å; V531-F533 HydrophobicContact CG1-CE2 3.84Å; V531-F533 HydrophobicContact CG1-CZ 4.16Å; F533-G573 WeakPolarHBondContact CB-O 3.48Å; F533-G573 WeakPolarHBondContact CD2-O 3.28Å; F533-G573 PolarHBondContact N-O 3.2Å; F533-V575 HydrophobicContact CE2-CG2 4.18Å; F533-C765 HydrophobicContact CD1-CB 3.9Å; F533-C765 VanDerWaalsContact CD1-O 3.29Å; F533-C765 WeakPolarHBondContact CD1-O 3.39Å; F533-C765 HydrophobicContact CE1-CB 3.63Å; F533-C765 WeakPolarHBondContact CE1-SG 3.27Å; F533-C765 HydrophobicContact CZ-CB 4.01Å; F533-P767 HydrophobicContact CD1-CG 4.36Å; F533-P767 HydrophobicContact CE1-CG 4.27Å; F533-A771 HydrophobicContact CB-CB 4.18Å; F533-A771 HydrophobicContact CD1-CB 3.34Å; F533-A771 HydrophobicContact CE1-CB 3.82Å; F533-A771 HydrophobicContact CG-CB 3.88Å; F533-F772 HydrophobicContact CB-CD2 3.79Å; F533-F772 HydrophobicContact CB-CE2 3.8Å; F533-F772 HydrophobicContact CD1-CE2 4.42Å; F533-F772 HydrophobicContact CD2-CD2 4.44Å; F533-F772 AromaticContact CD2-CE2 3.58Å; F533-F772 HydrophobicContact CD2-CE2 3.58Å; F533-F772 HydrophobicContact CD2-CZ 4.46Å; F533-F772 HydrophobicContact CE2-CE2 4.21Å; F533-F772 HydrophobicContact CG-CD2 4.15Å; F533-F772 AromaticContact CG-CE2 3.68Å; F533-F772 HydrophobicContact CG-CE2 3.68Å
534	P	95.9	Very high	87.9	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.039	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-58.8	138.7	169.7	18.6	-27.6	0	0	0	111.5	R536 F554 Y764 C765 M766	P534-R536 VanDerWaalsContact CB-NH1 3.29Å; P534-F554 HydrophobicContact CB-CD1 4.48Å; P534-Y764 WeakPolarHBondContact CB-OH 3.1Å; P534-C765 WeakPolarHBondContact CD-O 3.42Å; P534-M766 HydrophobicContact CG-CG 4.17Å
535	Q	91.9	Very high	87.4	Confident	23 Å²	23	35.5 Å²	35.5	11%	0.107	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-80.3	131.9	163.7	-63.5	173.3	22.2	0	0	108.7	F537 F554 V570 T572	Q535-F537 HydrophobicContact CB-CE2 4.31Å; Q535-F537 HydrophobicContact CB-CZ 3.93Å; Q535-F554 HydrophobicContact CB-CE1 4.32Å; Q535-F554 HydrophobicContact CB-CE2 3.91Å; Q535-F554 HydrophobicContact CB-CZ 3.61Å; Q535-F554 HydrophobicContact CG-CE1 4.39Å; Q535-F554 HydrophobicContact CG-CZ 3.88Å; Q535-V570 PolarHBondContact NE2-O 2.93Å; Q535-T572 VanDerWaalsContact CD-CG2 3.43Å; Q535-T572 HydrophobicContact CG-CG2 3.76Å; Q535-T572 VanDerWaalsContact NE2-CG2 3.34Å
536	R	94	Very high	87	Confident	47 Å²	47	35.6 Å²	35.6	18%	0.177	19%	0.187	C	C	.	.			trans	-127.8	154.7	174.1	-63.6	-61.8	-177.6	-110.9	6.4	108.1	P534 D555 P770 K773 G774	P534-R536 VanDerWaalsContact CB-NH1 3.29Å; R536-D555 IonicContact CZ-OD1 3.77Å; R536-D555 IonicContact NH1-OD1 2.79Å; R536-D555 IonicContact NH2-OD1 3.89Å; R536-D555 PolarHBondContact NH2-OD1 3.38Å; R536-D555 IonicContact NH2-OD2 3.46Å; R536-D555 PolarHBondContact NH2-OD2 3.47Å; R536-P770 HydrophobicContact CB-CB 4.4Å; R536-P770 HydrophobicContact CG-CB 3.95Å; R536-P770 HydrophobicContact CG-CG 4.32Å; R536-K773 HydrophobicContact CB-CG 4.04Å; R536-K773 CarbonylContact O-C 3.52Å; R536-K773 VanDerWaalsContact O-CA 3.25Å; R536-K773 WeakPolarHBondContact O-CA 3.32Å; R536-G774 PolarHBondContact O-N 2.8Å
537	F	90.4	Very high	86.8	Confident	27 Å²	27	30.2 Å²	30.2	12%	0.118	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.1	-175.5	-49	-83.4	0	0	0	111.5	H504 Q535 I540 N548 G774 A776	H504-F537 AromaticContact CE1-CE1 3.8Å; H504-F537 AromaticContact NE2-CE1 3.6Å; Q535-F537 HydrophobicContact CB-CE2 4.31Å; Q535-F537 HydrophobicContact CB-CZ 3.93Å; F537-I540 HydrophobicContact CB-CD1 3.66Å; F537-I540 HydrophobicContact CB-CG1 4.24Å; F537-I540 HydrophobicContact CD2-CD1 4.46Å; F537-N548 WeakPolarHBondContact CE2-O 3.39Å; F537-G774 CarbonylContact C-O 3.59Å; F537-G774 WeakPolarHBondContact CA-O 3.36Å; F537-A776 HydrophobicContact CB-CB 3.7Å; F537-A776 HydrophobicContact CD1-CB 4.4Å; F537-A776 HydrophobicContact CG-CB 4Å
538	D	84.8	Confident	86.5	Confident	38 Å²	38	27 Å²	27	20%	0.203	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	169.2	168.7	-64.4	-47.4	0	0	0	110.5	F371 Y505 I540 K773 G774	F371-D538 HydrophobicContact CE1-CB 4.09Å; Y505-D538 VanDerWaalsContact CE1-OD2 3.3Å; Y505-D538 WeakPolarHBondContact CE1-OD2 3.27Å; Y505-D538 PolarHBondContact OH-OD2 2.75Å; D538-I540 VanDerWaalsContact C-N 3.28Å; D538-I540 PolarHBondContact O-N 3.43Å; D538-K773 WeakPolarHBondContact OD1-CD 3.5Å; D538-K773 IonicContact OD1-NZ 3.74Å; D538-K773 PolarHBondContact OD1-NZ 3.41Å; D538-G774 PolarHBondContact N-O 3.29Å
539	G	75.9	Confident	86	Confident	66 Å²	66	31.6 Å²	31.6	68%	0.68	17%	0.168	S	C	*	.	S	Bend	trans	70.6	16.7	176	0	0	0	0	0	115.5
540	I	75.7	Confident	85.6	Confident	23 Å²	23	32.8 Å²	32.8	12%	0.118	18%	0.175	C	C	.	.			trans	-85.9	140.4	176.2	-58.6	162.1	0	0	0	109.6	F537 D538 D544 N548 R549 A776	F537-I540 HydrophobicContact CB-CD1 3.66Å; F537-I540 HydrophobicContact CB-CG1 4.24Å; F537-I540 HydrophobicContact CD2-CD1 4.46Å; D538-I540 VanDerWaalsContact C-N 3.28Å; D538-I540 PolarHBondContact O-N 3.43Å; I540-D544 HydrophobicContact CG2-CB 4Å; I540-D544 WeakPolarHBondContact CG2-OD1 3.2Å; I540-N548 HydrophobicContact CD1-CB 4.23Å; I540-N548 HydrophobicContact CG1-CB 4.21Å; I540-N548 HydrophobicContact CG2-CB 4.41Å; I540-R549 HydrophobicContact CD1-CG 3.47Å; I540-R549 VanDerWaalsContact CD1-CG 3.47Å; I540-A776 HydrophobicContact CD1-CB 4.17Å; I540-A776 HydrophobicContact CG1-CB 3.64Å
541	D	72.6	Confident	85.3	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.07	18%	0.181	C	C	.	.			trans	-59	149.5	174.6	80.4	-80	0	0	0	112.4	N543 D544 R545 F936 L939	D541-N543 PolarHBondContact O-N 3.4Å; D541-N543 WeakPolarHBondContact OD2-CA 3.24Å; D541-N543 WeakPolarHBondContact OD2-CB 3.32Å; D541-N543 PolarHBondContact OD2-N 2.87Å; D541-N543 VanDerWaalsContact OD2-N 3.09Å; D541-D544 PolarHBondContact O-N 3.25Å; D541-D544 WeakPolarHBondContact OD1-CA 3.09Å; D541-D544 PolarHBondContact OD1-N 3.38Å; D541-D544 PolarHBondContact OD2-N 3.28Å; D541-R545 PolarHBondContact OD1-N 3.34Å; D541-R545 WeakPolarHBondContact OD2-CG 3.38Å; D541-R545 PolarHBondContact OD2-N 3.02Å; D541-F936 HydrophobicContact CB-CD1 4.3Å; D541-F936 HydrophobicContact CB-CE1 4.26Å; D541-L939 HydrophobicContact CB-CD2 3.9Å
542	L	72	Confident	85	Confident	157 Å²	157	34.6 Å²	34.6	82%	0.822	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-28	-178.1	-81.7	148.1	0	0	0	113.9
543	N	74.6	Confident	84.8	Confident	109 Å²	109	37.9 Å²	37.9	58%	0.583	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	3.8	-176.9	-68.1	-50	0	0	0	113.9	D541 R545	D541-N543 PolarHBondContact O-N 3.4Å; D541-N543 WeakPolarHBondContact OD2-CA 3.24Å; D541-N543 WeakPolarHBondContact OD2-CB 3.32Å; D541-N543 PolarHBondContact OD2-N 2.87Å; D541-N543 VanDerWaalsContact OD2-N 3.09Å; N543-R545 VanDerWaalsContact C-N 3.31Å; N543-R545 HydrophobicContact CB-CG 4.05Å; N543-R545 PolarHBondContact O-N 2.93Å
544	D	80	Confident	84.6	Confident	5 Å²	5	38 Å²	38	3%	0.027	20%	0.2	C	C	.	.			trans	35	59.7	-174.6	-168	14.4	0	0	0	112.9	I540 D541 Y546 A547 N548 R549	I540-D544 HydrophobicContact CG2-CB 4Å; I540-D544 WeakPolarHBondContact CG2-OD1 3.2Å; D541-D544 PolarHBondContact O-N 3.25Å; D541-D544 WeakPolarHBondContact OD1-CA 3.09Å; D541-D544 PolarHBondContact OD1-N 3.38Å; D541-D544 PolarHBondContact OD2-N 3.28Å; D544-Y546 PolarHBondContact O-N 3.14Å; D544-A547 PolarHBondContact O-N 3.48Å; D544-A547 WeakPolarHBondContact OD1-CA 3.22Å; D544-A547 PolarHBondContact OD1-N 2.98Å; D544-A547 WeakPolarHBondContact OD2-CA 3.2Å; D544-N548 WeakPolarHBondContact OD1-CB 3.41Å; D544-N548 PolarHBondContact OD1-N 2.71Å; D544-N548 PolarHBondContact OD2-N 3.08Å; D544-R549 VanDerWaalsContact OD2-CB 3.28Å; D544-R549 WeakPolarHBondContact OD2-CB 3.13Å; D544-R549 VanDerWaalsContact OD2-CG 3.24Å; D544-R549 WeakPolarHBondContact OD2-CG 3.46Å; D544-R549 PolarHBondContact OD2-N 2.78Å
545	R	75.8	Confident	84.6	Confident	39 Å²	39	39 Å²	39	15%	0.147	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.7	-165.7	-71	173	78	-173.1	-6.2	113.8	D541 N543 K999	D541-R545 PolarHBondContact OD1-N 3.34Å; D541-R545 WeakPolarHBondContact OD2-CG 3.38Å; D541-R545 PolarHBondContact OD2-N 3.02Å; N543-R545 VanDerWaalsContact C-N 3.31Å; N543-R545 HydrophobicContact CB-CG 4.05Å; N543-R545 PolarHBondContact O-N 2.93Å; R545-K999 VanDerWaalsContact NH2-CG 3.28Å
546	Y	80.7	Confident	84.7	Confident	6 Å²	6	37.9 Å²	37.9	2%	0.024	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	14.9	179.5	-52.6	-47.9	0	0	0	113.4	D544 N548 L780 F894	D544-Y546 PolarHBondContact O-N 3.14Å; Y546-N548 PolarHBondContact O-N 2.92Å; Y546-L780 HydrophobicContact CD1-CB 4.42Å; Y546-L780 HydrophobicContact CD1-CD1 3.69Å; Y546-L780 HydrophobicContact CE1-CB 3.9Å; Y546-L780 HydrophobicContact CE1-CD1 3.82Å; Y546-L780 HydrophobicContact CE1-CD2 4.31Å; Y546-L780 HydrophobicContact CE1-CG 4.21Å; Y546-L780 HydrophobicContact CE2-CB 4.04Å; Y546-L780 HydrophobicContact CG-CD1 4.24Å; Y546-F894 WeakPolarHBondContact O-CD2 3.36Å; Y546-F894 WeakPolarHBondContact O-CG 3.45Å
547	A	83.8	Confident	84.8	Confident	5 Å²	5	37.2 Å²	37.2	4%	0.041	20%	0.199	C	C	.	.			trans	51.5	39.3	-179.4	0	0	0	0	0	113	D544 R549 N550 R783 F894	D544-A547 PolarHBondContact O-N 3.48Å; D544-A547 WeakPolarHBondContact OD1-CA 3.22Å; D544-A547 PolarHBondContact OD1-N 2.98Å; D544-A547 WeakPolarHBondContact OD2-CA 3.2Å; A547-R549 PolarHBondContact O-N 2.96Å; A547-N550 PolarHBondContact O-N 3.36Å; A547-N550 VanDerWaalsContact O-N 3.14Å; A547-N550 PolarHBondContact O-OD1 3.42Å; A547-R783 PolarHBondContact O-NH2 2.82Å; A547-F894 HydrophobicContact CB-CB 3.96Å; A547-F894 HydrophobicContact CB-CG 4.35Å
548	N	84.1	Confident	85.1	Confident	4 Å²	4	36 Å²	36	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28	-178.9	-81.3	-36.4	0	0	0	112.1	F537 I540 D544 Y546 N550 A776 P777 R783	F537-N548 WeakPolarHBondContact CE2-O 3.39Å; I540-N548 HydrophobicContact CD1-CB 4.23Å; I540-N548 HydrophobicContact CG1-CB 4.21Å; I540-N548 HydrophobicContact CG2-CB 4.41Å; D544-N548 WeakPolarHBondContact OD1-CB 3.41Å; D544-N548 PolarHBondContact OD1-N 2.71Å; D544-N548 PolarHBondContact OD2-N 3.08Å; Y546-N548 PolarHBondContact O-N 2.92Å; N548-N550 PolarHBondContact O-N 3.28Å; N548-A776 HydrophobicContact CB-CB 4.06Å; N548-P777 PolarHBondContact ND2-O 3.24Å; N548-R783 VanDerWaalsContact OD1-CD 3.31Å; N548-R783 WeakPolarHBondContact OD1-CD 3.36Å
549	R	84.8	Confident	85.6	Confident	95 Å²	95	35.9 Å²	35.9	36%	0.358	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19	178.1	-64.6	177.8	178	174.1	1	113.5	I540 D544 A547 I551	I540-R549 HydrophobicContact CD1-CG 3.47Å; I540-R549 VanDerWaalsContact CD1-CG 3.47Å; D544-R549 VanDerWaalsContact OD2-CB 3.28Å; D544-R549 WeakPolarHBondContact OD2-CB 3.13Å; D544-R549 VanDerWaalsContact OD2-CG 3.24Å; D544-R549 WeakPolarHBondContact OD2-CG 3.46Å; D544-R549 PolarHBondContact OD2-N 2.78Å; A547-R549 PolarHBondContact O-N 2.96Å; R549-I551 HydrophobicContact CB-CD1 3.94Å; R549-I551 HydrophobicContact CB-CG1 3.6Å; R549-I551 PolarHBondContact O-N 2.82Å; R549-I551 VanDerWaalsContact O-N 3.17Å
550	N	89.1	Confident	86.5	Confident	25 Å²	25	32.8 Å²	32.8	13%	0.134	16%	0.159	C	C	.	.			trans	49.7	39.1	-176.8	-76.6	-20.3	0	0	0	113	A547 N548 V552 F553 F554 R783	A547-N550 PolarHBondContact O-N 3.36Å; A547-N550 VanDerWaalsContact O-N 3.14Å; A547-N550 PolarHBondContact O-OD1 3.42Å; N548-N550 PolarHBondContact O-N 3.28Å; N550-V552 PolarHBondContact O-N 2.71Å; N550-F553 HydrophobicContact CB-CB 4.46Å; N550-F553 PolarHBondContact O-N 3.29Å; N550-F553 VanDerWaalsContact O-N 3.12Å; N550-F554 HydrophobicContact CB-CD2 3.9Å; N550-F554 HydrophobicContact CB-CE2 3.94Å; N550-F554 WeakPolarHBondContact O-CD2 3.47Å; N550-F554 PolarHBondContact O-N 2.94Å; N550-F554 VanDerWaalsContact O-N 3.09Å; N550-R783 PolarHBondContact OD1-NH2 3.24Å
551	I	90.8	Very high	87.6	Confident	24 Å²	24	32.2 Å²	32.2	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-44.5	-171.5	-67.7	169	0	0	0	111.5	R549 F553 F554 D555 V883 D887	R549-I551 HydrophobicContact CB-CD1 3.94Å; R549-I551 HydrophobicContact CB-CG1 3.6Å; R549-I551 PolarHBondContact O-N 2.82Å; R549-I551 VanDerWaalsContact O-N 3.17Å; I551-F553 VanDerWaalsContact C-N 3.27Å; I551-F553 PolarHBondContact O-N 3.35Å; I551-F554 PolarHBondContact O-N 3.29Å; I551-D555 HydrophobicContact CG2-CB 4.11Å; I551-D555 WeakPolarHBondContact O-CA 3.37Å; I551-D555 VanDerWaalsContact O-CB 3.31Å; I551-D555 WeakPolarHBondContact O-CB 3.45Å; I551-D555 PolarHBondContact O-N 2.72Å; I551-V883 HydrophobicContact CG2-CB 4.29Å; I551-V883 HydrophobicContact CG2-CG1 3.67Å; I551-V883 HydrophobicContact CG2-CG2 3.64Å; I551-D887 HydrophobicContact CD1-CB 3.96Å; I551-D887 VanDerWaalsContact CD1-CG 3.43Å
552	V	92.1	Very high	88.7	Confident	15 Å²	15	31.8 Å²	31.8	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-56.9	-43.5	178.8	173.9	0	0	0	0	111	N550 I556 N557 L888 N891	N550-V552 PolarHBondContact O-N 2.71Å; V552-I556 HydrophobicContact CB-CD1 4.44Å; V552-I556 HydrophobicContact CG1-CD1 4.17Å; V552-I556 HydrophobicContact CG2-CD1 4.4Å; V552-I556 WeakPolarHBondContact O-CB 3.22Å; V552-I556 PolarHBondContact O-N 2.63Å; V552-I556 VanDerWaalsContact O-N 3.16Å; V552-N557 PolarHBondContact O-N 2.99Å; V552-L888 HydrophobicContact CG2-CD1 4.01Å; V552-N891 HydrophobicContact CB-CB 4.47Å; V552-N891 HydrophobicContact CG2-CB 3.72Å
553	F	93.8	Very high	89.7	Confident	68 Å²	68	25.5 Å²	25.5	30%	0.298	13%	0.127	S	C	.	.	I	π-helix	trans	-67	-48.7	179.4	178.2	-107.3	0	0	0	112.7	N550 I551 N557 M558 V568 V570	N550-F553 HydrophobicContact CB-CB 4.46Å; N550-F553 PolarHBondContact O-N 3.29Å; N550-F553 VanDerWaalsContact O-N 3.12Å; I551-F553 VanDerWaalsContact C-N 3.27Å; I551-F553 PolarHBondContact O-N 3.35Å; F553-N557 HydrophobicContact CD2-CB 4.38Å; F553-N557 WeakPolarHBondContact O-CB 3.3Å; F553-N557 PolarHBondContact O-N 2.94Å; F553-M558 HydrophobicContact CD1-CE 4.25Å; F553-M558 HydrophobicContact CE1-CE 3.36Å; F553-M558 HydrophobicContact CE2-CE 3.87Å; F553-M558 HydrophobicContact CZ-CE 3.14Å; F553-M558 WeakPolarHBondContact O-CG 3.45Å; F553-M558 PolarHBondContact O-N 2.9Å; F553-M558 VanDerWaalsContact O-N 3.08Å; F553-V568 HydrophobicContact CZ-CG2 4.34Å; F553-V570 HydrophobicContact CE1-CG1 3.84Å; F553-V570 HydrophobicContact CZ-CG1 3.82Å
554	F	94.5	Very high	90.7	Very high	3 Å²	3	21 Å²	21	1%	0.013	10%	0.102	C	C	.	.	I	π-helix	trans	-77.8	-34.7	-176	-74.2	-63.9	0	0	0	113.9	P534 Q535 N550 I551 M558 V570 Y764	P534-F554 HydrophobicContact CB-CD1 4.48Å; Q535-F554 HydrophobicContact CB-CE1 4.32Å; Q535-F554 HydrophobicContact CB-CE2 3.91Å; Q535-F554 HydrophobicContact CB-CZ 3.61Å; Q535-F554 HydrophobicContact CG-CE1 4.39Å; Q535-F554 HydrophobicContact CG-CZ 3.88Å; N550-F554 HydrophobicContact CB-CD2 3.9Å; N550-F554 HydrophobicContact CB-CE2 3.94Å; N550-F554 WeakPolarHBondContact O-CD2 3.47Å; N550-F554 PolarHBondContact O-N 2.94Å; N550-F554 VanDerWaalsContact O-N 3.09Å; I551-F554 PolarHBondContact O-N 3.29Å; F554-M558 HydrophobicContact CD1-CG 4.33Å; F554-V570 HydrophobicContact CE1-CG2 4.07Å; F554-V570 HydrophobicContact CZ-CG2 4.44Å; F554-Y764 VanDerWaalsContact O-CE1 3.28Å; F554-Y764 WeakPolarHBondContact O-CE1 3.28Å; F554-Y764 PolarHBondContact O-OH 3Å
555	D	94.6	Very high	91.4	Very high	27 Å²	27	21.1 Å²	21.1	14%	0.144	10%	0.103	C	C	.	.	I	π-helix	trans	-104.2	-7.5	-169.3	-64	4.8	0	0	0	112.8	R536 I551 R559 M766 V883	R536-D555 IonicContact CZ-OD1 3.77Å; R536-D555 IonicContact NH1-OD1 2.79Å; R536-D555 IonicContact NH2-OD1 3.89Å; R536-D555 PolarHBondContact NH2-OD1 3.38Å; R536-D555 IonicContact NH2-OD2 3.46Å; R536-D555 PolarHBondContact NH2-OD2 3.47Å; I551-D555 HydrophobicContact CG2-CB 4.11Å; I551-D555 WeakPolarHBondContact O-CA 3.37Å; I551-D555 VanDerWaalsContact O-CB 3.31Å; I551-D555 WeakPolarHBondContact O-CB 3.45Å; I551-D555 PolarHBondContact O-N 2.72Å; D555-R559 WeakPolarHBondContact O-CD 3.24Å; D555-R559 PolarHBondContact O-NE 3.47Å; D555-M766 WeakPolarHBondContact OD1-CE 3.4Å; D555-V883 HydrophobicContact CB-CG2 4.01Å
556	I	95.5	Very high	92.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-119.8	-64.4	175.6	-52.8	178.3	0	0	0	109.7	K265 V552 R559 G560 E877 W880 V883	K265-I556 HydrophobicContact CD-CG2 4.13Å; V552-I556 HydrophobicContact CB-CD1 4.44Å; V552-I556 HydrophobicContact CG1-CD1 4.17Å; V552-I556 HydrophobicContact CG2-CD1 4.4Å; V552-I556 WeakPolarHBondContact O-CB 3.22Å; V552-I556 PolarHBondContact O-N 2.63Å; V552-I556 VanDerWaalsContact O-N 3.16Å; I556-R559 PolarHBondContact O-N 2.82Å; I556-G560 PolarHBondContact O-N 3.26Å; I556-E877 HydrophobicContact CD1-CG 4.16Å; I556-E877 HydrophobicContact CG2-CG 3.86Å; I556-E877 WeakPolarHBondContact CG2-OE1 3.48Å; I556-W880 HydrophobicContact CB-CH2 4.3Å; I556-W880 HydrophobicContact CG2-CH2 3.53Å; I556-W880 HydrophobicContact CG2-CZ2 3.57Å; I556-V883 HydrophobicContact CD1-CB 4.47Å; I556-V883 HydrophobicContact CD1-CG2 4.12Å; I556-V883 HydrophobicContact CG1-CG2 4.04Å
557	N	95.5	Very high	93.1	Very high	32 Å²	32	19 Å²	19	17%	0.171	10%	0.095	C	C	.	.	I	π-helix	trans	-64.3	-49.4	-170.9	-65.5	23.7	0	0	0	111.7	K265 V552 F553 R559 G560 L561	K265-N557 WeakPolarHBondContact CE-OD1 3.39Å; K265-N557 PolarHBondContact NZ-OD1 3.07Å; V552-N557 PolarHBondContact O-N 2.99Å; F553-N557 HydrophobicContact CD2-CB 4.38Å; F553-N557 WeakPolarHBondContact O-CB 3.3Å; F553-N557 PolarHBondContact O-N 2.94Å; N557-R559 VanDerWaalsContact C-N 3.32Å; N557-R559 PolarHBondContact O-N 3.47Å; N557-G560 WeakPolarHBondContact O-CA 3.47Å; N557-G560 PolarHBondContact O-N 3.01Å; N557-G560 VanDerWaalsContact O-N 3.07Å; N557-L561 WeakPolarHBondContact O-CG 3.47Å; N557-L561 PolarHBondContact O-N 3.02Å; N557-L561 VanDerWaalsContact O-N 3.1Å
558	M	96.1	Very high	93.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-36.3	-179.3	-71.6	-67.2	174.3	0	0	113.5	F553 F554 G560 L561 D562 P567 V568 V570 Y764	F553-M558 HydrophobicContact CD1-CE 4.25Å; F553-M558 HydrophobicContact CE1-CE 3.36Å; F553-M558 HydrophobicContact CE2-CE 3.87Å; F553-M558 HydrophobicContact CZ-CE 3.14Å; F553-M558 WeakPolarHBondContact O-CG 3.45Å; F553-M558 PolarHBondContact O-N 2.9Å; F553-M558 VanDerWaalsContact O-N 3.08Å; F554-M558 HydrophobicContact CD1-CG 4.33Å; M558-G560 VanDerWaalsContact C-N 3.31Å; M558-G560 PolarHBondContact O-N 2.92Å; M558-L561 PolarHBondContact O-N 3.14Å; M558-L561 HydrophobicContact SD-CD1 4.4Å; M558-D562 WeakPolarHBondContact O-CB 3.18Å; M558-D562 PolarHBondContact O-N 2.86Å; M558-P567 HydrophobicContact SD-CB 3.45Å; M558-P567 WeakPolarHBondContact SD-CB 3.34Å; M558-V568 HydrophobicContact CE-CG2 3.35Å; M558-V568 HydrophobicContact SD-CG2 4.24Å; M558-V570 HydrophobicContact CE-CG1 3.6Å; M558-Y764 HydrophobicContact CB-CD1 3.88Å; M558-Y764 HydrophobicContact CB-CD2 4.19Å; M558-Y764 HydrophobicContact CB-CE1 3.57Å; M558-Y764 HydrophobicContact CB-CE2 3.95Å; M558-Y764 HydrophobicContact CB-CG 4.19Å; M558-Y764 HydrophobicContact CG-CE2 4.21Å
559	R	95.5	Very high	94.3	Very high	37 Å²	37	18.8 Å²	18.8	14%	0.14	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-37.3	174.7	-65.2	-170.6	-178.7	165.5	-1.4	111.9	P268 I269 N270 D555 I556 N557 Y764 M766 S881	P268-R559 VanDerWaalsContact CA-O 3.32Å; P268-R559 WeakPolarHBondContact CA-O 3.49Å; P268-R559 HydrophobicContact CB-CB 4.49Å; I269-R559 PolarHBondContact N-O 3.01Å; N270-R559 WeakPolarHBondContact OD1-CD 3.36Å; N270-R559 PolarHBondContact OD1-NE 3.36Å; D555-R559 WeakPolarHBondContact O-CD 3.24Å; D555-R559 PolarHBondContact O-NE 3.47Å; I556-R559 PolarHBondContact O-N 2.82Å; N557-R559 VanDerWaalsContact C-N 3.32Å; N557-R559 PolarHBondContact O-N 3.47Å; R559-Y764 HydrophobicContact CG-CD1 4.38Å; R559-Y764 HydrophobicContact CG-CE1 4.34Å; R559-M766 HydrophobicContact CG-SD 4.25Å; R559-M766 PolarHBondContact NE-SD 2.94Å; R559-M766 VanDerWaalsContact NE-SD 3.39Å; R559-S881 PolarHBondContact NH1-O 2.93Å
560	G	95.8	Very high	94.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-49.4	172.2	0	0	0	0	0	112.5	P264 I556 N557 M558 D562 G563	P264-G560 CarbonylContact O-C 3.53Å; I556-G560 PolarHBondContact O-N 3.26Å; N557-G560 WeakPolarHBondContact O-CA 3.47Å; N557-G560 PolarHBondContact O-N 3.01Å; N557-G560 VanDerWaalsContact O-N 3.07Å; M558-G560 VanDerWaalsContact C-N 3.31Å; M558-G560 PolarHBondContact O-N 2.92Å; G560-D562 PolarHBondContact O-N 2.82Å; G560-G563 PolarHBondContact O-N 3.43Å
561	L	97.2	Very high	94.9	Very high	11 Å²	11	14.1 Å²	14.1	6%	0.058	8%	0.077	C	C	.	.	H	α-helix	trans	-66	-36.8	-180	-59.9	-177.8	0	0	0	113	P264 N557 M558 G563 I564 Q565 G566 V568 A820	P264-L561 HydrophobicContact CB-CD2 3.84Å; N557-L561 WeakPolarHBondContact O-CG 3.47Å; N557-L561 PolarHBondContact O-N 3.02Å; N557-L561 VanDerWaalsContact O-N 3.1Å; M558-L561 PolarHBondContact O-N 3.14Å; M558-L561 HydrophobicContact SD-CD1 4.4Å; L561-G563 PolarHBondContact O-N 3.24Å; L561-I564 PolarHBondContact O-N 3.18Å; L561-Q565 PolarHBondContact O-N 3.45Å; L561-G566 WeakPolarHBondContact CB-O 3.43Å; L561-G566 WeakPolarHBondContact O-CA 3.24Å; L561-G566 PolarHBondContact O-N 3.48Å; L561-V568 HydrophobicContact CD1-CG1 3.96Å; L561-A820 HydrophobicContact CD2-CB 3.41Å; L561-A820 VanDerWaalsContact CD2-CB 3.41Å
562	D	96.4	Very high	95.1	Very high	5 Å²	5	13 Å²	13	3%	0.027	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-29	-179.6	-170.7	35.9	0	0	0	113.3	I269 R271 M558 G560 Y764	I269-D562 HydrophobicContact CD1-CB 4.38Å; I269-D562 WeakPolarHBondContact CD1-O 3.12Å; I269-D562 WeakPolarHBondContact CD1-OD2 2.94Å; I269-D562 HydrophobicContact CG1-CB 4.04Å; I269-D562 WeakPolarHBondContact CG1-OD2 3.5Å; R271-D562 WeakPolarHBondContact CD-OD2 2.98Å; R271-D562 IonicContact CZ-OD1 2.77Å; R271-D562 IonicContact CZ-OD2 3.54Å; R271-D562 VanDerWaalsContact NE-CG 3.31Å; R271-D562 IonicContact NE-OD1 2.65Å; R271-D562 PolarHBondContact NE-OD1 3.39Å; R271-D562 VanDerWaalsContact NE-OD1 3.08Å; R271-D562 IonicContact NE-OD2 2.82Å; R271-D562 PolarHBondContact NE-OD2 2.98Å; R271-D562 PolarHBondContact NH2-O 3.41Å; R271-D562 IonicContact NH2-OD1 3.03Å; R271-D562 PolarHBondContact NH2-OD1 2.96Å; R271-D562 IonicContact NH2-OD2 3.29Å; M558-D562 WeakPolarHBondContact O-CB 3.18Å; M558-D562 PolarHBondContact O-N 2.86Å; G560-D562 PolarHBondContact O-N 2.82Å; D562-Y764 PolarHBondContact OD1-N 3.36Å
563	G	93.6	Very high	95.3	Very high	25 Å²	25	12.4 Å²	12.4	26%	0.258	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.2	174.5	0	0	0	0	0	114.9	F267 G560 L561	F267-G563 VanDerWaalsContact O-CA 3.23Å; F267-G563 WeakPolarHBondContact O-CA 3.03Å; G560-G563 PolarHBondContact O-N 3.43Å; L561-G563 PolarHBondContact O-N 3.24Å
564	I	94.2	Very high	95.5	Very high	14 Å²	14	9.2 Å²	9.2	7%	0.072	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-88.5	177.1	-60.3	163	0	0	0	109.7	P264 F267 L561 K814 L816 E817	P264-I564 WeakPolarHBondContact O-CD1 3.41Å; F267-I564 HydrophobicContact CD2-CG1 4.41Å; L561-I564 PolarHBondContact O-N 3.18Å; I564-K814 HydrophobicContact CG2-CB 4.01Å; I564-K814 HydrophobicContact CG2-CD 3.76Å; I564-K814 PolarHBondContact O-NZ 3.38Å; I564-L816 HydrophobicContact CD1-CB 3.59Å; I564-L816 HydrophobicContact CD1-CD1 4.12Å; I564-L816 HydrophobicContact CG1-CB 4.25Å; I564-L816 HydrophobicContact CG1-CD1 4.3Å; I564-L816 HydrophobicContact CG2-CB 4.09Å; I564-E817 HydrophobicContact CG2-CB 4.1Å
565	Q	95.4	Very high	95.7	Very high	8 Å²	8	9.1 Å²	9.1	4%	0.037	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-28.2	-179.8	-172.5	164.3	-11.9	0	0	111.4	L561 H756 W760 K761 S762 K814 E817	L561-Q565 PolarHBondContact O-N 3.45Å; Q565-H756 PolarHBondContact NE2-O 3.24Å; Q565-W760 PolarHBondContact NE2-O 3.49Å; Q565-K761 HydrophobicContact CG-CG 4.47Å; Q565-K761 WeakPolarHBondContact O-CA 3.48Å; Q565-K761 WeakPolarHBondContact O-CB 3.25Å; Q565-S762 PolarHBondContact O-N 3.12Å; Q565-S762 VanDerWaalsContact O-N 3.14Å; Q565-K814 HydrophobicContact CB-CD 4.21Å; Q565-K814 HydrophobicContact CB-CG 4.49Å; Q565-E817 HydrophobicContact CB-CB 4.17Å; Q565-E817 HydrophobicContact CB-CG 3.85Å; Q565-E817 WeakPolarHBondContact CB-OE2 3.46Å; Q565-E817 PolarHBondContact N-OE2 3.01Å
566	G	96.1	Very high	95.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.			trans	143	166.8	173.9	0	0	0	0	0	111.5	L561 S762	L561-G566 WeakPolarHBondContact CB-O 3.43Å; L561-G566 WeakPolarHBondContact O-CA 3.24Å; L561-G566 PolarHBondContact O-N 3.48Å; G566-S762 VanDerWaalsContact CA-O 3.23Å; G566-S762 WeakPolarHBondContact CA-O 3.36Å; G566-S762 WeakPolarHBondContact CA-OG 3.44Å
567	P	97	Very high	95.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.049	C	C	.	.	P	Polyproline II helix	trans	-61.1	154.9	177.4	29.9	-38.8	0	0	0	112.7	Y530 Q532 M558 H756 S762 V763 Y764	Y530-P567 PolarHBondContact OH-O 2.91Å; Y530-P567 VanDerWaalsContact OH-O 3.12Å; Q532-P567 HydrophobicContact CB-CB 4.3Å; Q532-P567 HydrophobicContact CB-CG 3.81Å; M558-P567 HydrophobicContact SD-CB 3.45Å; M558-P567 WeakPolarHBondContact SD-CB 3.34Å; P567-H756 PolarHBondContact O-CE1 3.27Å; P567-S762 WeakPolarHBondContact CD-OG 3.47Å; P567-S762 PolarHBondContact O-OG 2.71Å; P567-V763 WeakPolarHBondContact CG-O 3.13Å; P567-Y764 HydrophobicContact CB-CD2 4.02Å; P567-Y764 HydrophobicContact CB-CG 4.34Å; P567-Y764 HydrophobicContact CG-CD2 4.13Å; P567-Y764 HydrophobicContact CG-CG 4.37Å
568	V	95.9	Very high	95.9	Very high	4 Å²	4	7 Å²	7	2%	0.024	4%	0.042	C	C	.	.	P	Polyproline II helix	trans	-74.3	148.2	168.3	-58.8	0	0	0	0	110.5	F553 M558 L561 V570 Y821	F553-V568 HydrophobicContact CZ-CG2 4.34Å; M558-V568 HydrophobicContact CE-CG2 3.35Å; M558-V568 HydrophobicContact SD-CG2 4.24Å; L561-V568 HydrophobicContact CD1-CG1 3.96Å; V568-V570 HydrophobicContact CG2-CG1 3.98Å; V568-Y821 HydrophobicContact CB-CE1 4.36Å; V568-Y821 HydrophobicContact CG1-CD1 4.29Å; V568-Y821 HydrophobicContact CG1-CE1 3.59Å; V568-Y821 HydrophobicContact CG1-CE2 4.31Å
569	Y	97.2	Very high	95.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	P	Polyproline II helix	trans	-75.3	130	173.5	171.7	-133.2	0	0	0	110.2	N499 Y530 G571 C574 F576 W740 D748 I749	N499-Y569 PolarHBondContact ND2-OH 2.91Å; Y530-Y569 PolarHBondContact OH-N 3.49Å; Y569-G571 VanDerWaalsContact CE2-N 3.27Å; Y569-G571 WeakPolarHBondContact OH-CA 3.13Å; Y569-G571 PolarHBondContact OH-O 2.92Å; Y569-C574 HydrophobicContact CD2-CB 3.74Å; Y569-C574 HydrophobicContact CE2-CB 3.68Å; Y569-F576 HydrophobicContact CD1-CE1 4.43Å; Y569-F576 AromaticContact CD1-CZ 3.73Å; Y569-F576 HydrophobicContact CD1-CZ 3.73Å; Y569-F576 HydrophobicContact CD2-CE2 4.15Å; Y569-F576 AromaticContact CD2-CZ 3.6Å; Y569-F576 HydrophobicContact CD2-CZ 3.6Å; Y569-F576 HydrophobicContact CE1-CE2 4.44Å; Y569-F576 AromaticContact CE1-CZ 3.76Å; Y569-F576 HydrophobicContact CE1-CZ 3.76Å; Y569-F576 AromaticContact CE2-CE2 3.77Å; Y569-F576 HydrophobicContact CE2-CE2 3.77Å; Y569-F576 AromaticContact CE2-CZ 3.6Å; Y569-F576 HydrophobicContact CE2-CZ 3.6Å; Y569-F576 HydrophobicContact CG-CE1 4.46Å; Y569-F576 AromaticContact CG-CZ 3.72Å; Y569-F576 HydrophobicContact CG-CZ 3.72Å; Y569-F576 AromaticContact CZ-CE2 3.98Å; Y569-F576 AromaticContact CZ-CZ 3.71Å; Y569-W740 AromaticContact CE1-NE1 3.48Å; Y569-W740 AromaticContact CZ-NE1 3.87Å; Y569-W740 PolarHBondContact OH-NE1 3.2Å; Y569-D748 VanDerWaalsContact CD1-CA 3.4Å; Y569-D748 HydrophobicContact CD1-CB 3.56Å; Y569-D748 WeakPolarHBondContact CD1-O 3.34Å; Y569-D748 VanDerWaalsContact CE1-CA 3.45Å; Y569-D748 HydrophobicContact CE1-CB 3.4Å; Y569-D748 VanDerWaalsContact CE1-CB 3.4Å; Y569-D748 HydrophobicContact CG-CB 4.21Å; Y569-D748 CarbonylContact O-C 3.58Å; Y569-I749 PolarHBondContact O-N 3.47Å
570	V	94.1	Very high	95.6	Very high	18 Å²	18	5.7 Å²	5.7	11%	0.109	4%	0.038	C	C	.	.			trans	-125.2	26	-170.3	-66.5	0	0	0	0	113.9	Q532 Q535 F553 F554 M558 V568 T572 D748	Q532-V570 VanDerWaalsContact CD-CG2 3.5Å; Q532-V570 HydrophobicContact CG-CG2 4.18Å; Q535-V570 PolarHBondContact NE2-O 2.93Å; F553-V570 HydrophobicContact CE1-CG1 3.84Å; F553-V570 HydrophobicContact CZ-CG1 3.82Å; F554-V570 HydrophobicContact CE1-CG2 4.07Å; F554-V570 HydrophobicContact CZ-CG2 4.44Å; M558-V570 HydrophobicContact CE-CG1 3.6Å; V568-V570 HydrophobicContact CG2-CG1 3.98Å; V570-T572 PolarHBondContact O-N 3.29Å; V570-D748 WeakPolarHBondContact CA-OD2 3.2Å
571	G	91.8	Very high	95.5	Very high	4 Å²	4	5.8 Å²	5.8	4%	0.041	4%	0.039	C	C	.	.	S	Bend	trans	95.5	-17.7	160.7	0	0	0	0	0	117.3	K477 N499 Y569 D748	K477-G571 PolarHBondContact NZ-O 3.17Å; N499-G571 PolarHBondContact ND2-O 3.4Å; Y569-G571 VanDerWaalsContact CE2-N 3.27Å; Y569-G571 WeakPolarHBondContact OH-CA 3.13Å; Y569-G571 PolarHBondContact OH-O 2.92Å; G571-D748 WeakPolarHBondContact CA-OD2 3.47Å; G571-D748 PolarHBondContact N-OD2 3.25Å; G571-D748 VanDerWaalsContact N-OD2 3.16Å
572	T	95.1	Very high	95.3	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.006	4%	0.037	C	C	.	.	S	Bend	trans	-156.9	160.8	176.8	-176.2	0	0	0	0	111.2	N499 L500 D501 Q532 Q535 V570	N499-T572 WeakPolarHBondContact ND2-CA 3.34Å; L500-T572 WeakPolarHBondContact CA-OG1 3.38Å; D501-T572 PolarHBondContact N-OG1 3.4Å; D501-T572 VanDerWaalsContact N-OG1 3.1Å; Q532-T572 PolarHBondContact NE2-O 3.43Å; Q535-T572 VanDerWaalsContact CD-CG2 3.43Å; Q535-T572 HydrophobicContact CG-CG2 3.76Å; Q535-T572 VanDerWaalsContact NE2-CG2 3.34Å; V570-T572 PolarHBondContact O-N 3.29Å
573	G	96.7	Very high	95	Very high	3 Å²	3	5.5 Å²	5.5	3%	0.031	4%	0.039	C	C	.	.	S	Bend	trans	66.5	38.5	177.9	0	0	0	0	0	112.7	N499 Q532 F533	N499-G573 PolarHBondContact O-N 2.63Å; Q532-G573 PolarHBondContact NE2-O 3.2Å; F533-G573 WeakPolarHBondContact CB-O 3.48Å; F533-G573 WeakPolarHBondContact CD2-O 3.28Å; F533-G573 PolarHBondContact N-O 3.2Å
574	C	98.4	Very high	94.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.2	-175.9	-166.2	0	0	0	0	111.1	L498 N499 Y530 V531 Y569 F576	L498-C574 WeakPolarHBondContact CA-O 3.37Å; N499-C574 PolarHBondContact N-O 3.47Å; N499-C574 VanDerWaalsContact OD1-CB 3.24Å; N499-C574 WeakPolarHBondContact OD1-CB 3.34Å; N499-C574 PolarHBondContact OD1-N 2.99Å; N499-C574 PolarHBondContact OD1-O 3.42Å; N499-C574 VanDerWaalsContact OD1-O 3.06Å; Y530-C574 VanDerWaalsContact CB-SG 3.52Å; Y530-C574 WeakPolarHBondContact CD2-SG 3.33Å; V531-C574 WeakPolarHBondContact O-CA 3.38Å; Y569-C574 HydrophobicContact CD2-CB 3.74Å; Y569-C574 HydrophobicContact CE2-CB 3.68Å; C574-F576 HydrophobicContact CB-CD2 4.42Å; C574-F576 HydrophobicContact CB-CE2 3.77Å; C574-F576 HydrophobicContact CB-CZ 4.3Å
575	V	98.4	Very high	94.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.006	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112.5	178.3	-171.2	0	0	0	0	109.3	F496 M497 L498 M516 L519 Y530 V531 F533	F496-V575 HydrophobicContact CB-CG1 4.2Å; M497-V575 CarbonylContact O-C 3.47Å; M497-V575 WeakPolarHBondContact O-CA 3.49Å; L498-V575 HydrophobicContact CB-CG2 4.14Å; L498-V575 HydrophobicContact CD1-CG2 3.78Å; L498-V575 HydrophobicContact CG-CG2 4.45Å; M516-V575 HydrophobicContact CE-CG1 4.28Å; L519-V575 HydrophobicContact CD1-CB 3.98Å; L519-V575 HydrophobicContact CD1-CG1 3.46Å; L519-V575 VanDerWaalsContact CD1-CG1 3.46Å; Y530-V575 CarbonylContact C-O 3.59Å; Y530-V575 WeakPolarHBondContact CA-O 3.3Å; Y530-V575 WeakPolarHBondContact CB-O 3.24Å; V531-V575 PolarHBondContact N-O 2.95Å; V531-V575 PolarHBondContact O-N 2.84Å; F533-V575 HydrophobicContact CE2-CG2 4.18Å
576	F	98	Very high	94.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.7	-176.6	-71.6	-92.1	0	0	0	113	F496 M497 C529 Y530 Y569 C574 L581 W740 M755	F496-F576 CarbonylContact C-O 3.5Å; F496-F576 WeakPolarHBondContact CA-O 3.11Å; M497-F576 PolarHBondContact N-O 2.97Å; M497-F576 PolarHBondContact O-N 3.11Å; C529-F576 WeakPolarHBondContact O-CA 3.03Å; Y530-F576 AromaticContact CD1-CD1 3.83Å; Y530-F576 HydrophobicContact CD1-CD1 3.83Å; Y530-F576 AromaticContact CD1-CE1 3.49Å; Y530-F576 HydrophobicContact CD1-CE1 3.49Å; Y530-F576 VanDerWaalsContact CD1-CE1 3.49Å; Y530-F576 HydrophobicContact CD1-CZ 4.36Å; Y530-F576 HydrophobicContact CE1-CE1 4.24Å; Y530-F576 HydrophobicContact CG-CD1 4.14Å; Y530-F576 AromaticContact CG-CE1 3.93Å; Y530-F576 HydrophobicContact CG-CE1 3.93Å; Y569-F576 HydrophobicContact CD1-CE1 4.43Å; Y569-F576 AromaticContact CD1-CZ 3.73Å; Y569-F576 HydrophobicContact CD1-CZ 3.73Å; Y569-F576 HydrophobicContact CD2-CE2 4.15Å; Y569-F576 AromaticContact CD2-CZ 3.6Å; Y569-F576 HydrophobicContact CD2-CZ 3.6Å; Y569-F576 HydrophobicContact CE1-CE2 4.44Å; Y569-F576 AromaticContact CE1-CZ 3.76Å; Y569-F576 HydrophobicContact CE1-CZ 3.76Å; Y569-F576 AromaticContact CE2-CE2 3.77Å; Y569-F576 HydrophobicContact CE2-CE2 3.77Å; Y569-F576 AromaticContact CE2-CZ 3.6Å; Y569-F576 HydrophobicContact CE2-CZ 3.6Å; Y569-F576 HydrophobicContact CG-CE1 4.46Å; Y569-F576 AromaticContact CG-CZ 3.72Å; Y569-F576 HydrophobicContact CG-CZ 3.72Å; Y569-F576 AromaticContact CZ-CE2 3.98Å; Y569-F576 AromaticContact CZ-CZ 3.71Å; C574-F576 HydrophobicContact CB-CD2 4.42Å; C574-F576 HydrophobicContact CB-CE2 3.77Å; C574-F576 HydrophobicContact CB-CZ 4.3Å; F576-L581 HydrophobicContact CB-CD1 3.69Å; F576-L581 HydrophobicContact CD1-CD1 3.96Å; F576-L581 HydrophobicContact CD1-CD2 4.46Å; F576-L581 HydrophobicContact CD1-CG 4.18Å; F576-L581 HydrophobicContact CG-CD1 3.86Å; F576-W740 HydrophobicContact CD2-CH2 4.29Å; F576-W740 HydrophobicContact CD2-CZ2 4.19Å; F576-W740 HydrophobicContact CE2-CH2 4.39Å; F576-W740 AromaticContact CE2-CZ2 3.84Å; F576-W740 HydrophobicContact CE2-CZ2 3.84Å; F576-W740 HydrophobicContact CZ-CZ2 4.1Å; F576-M755 HydrophobicContact CD1-CE 3.99Å; F576-M755 HydrophobicContact CD1-SD 4.29Å; F576-M755 HydrophobicContact CE1-CE 3.97Å; F576-M755 HydrophobicContact CE1-SD 4.18Å
577	N	95.8	Very high	93.6	Very high	9 Å²	9	8.4 Å²	8.4	5%	0.048	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.7	159.7	-176.3	-12.2	0	0	0	108.8	F496 L528 C529 P579 A580	F496-N577 HydrophobicContact CD1-CB 4.47Å; F496-N577 HydrophobicContact CE1-CB 4.41Å; L528-N577 VanDerWaalsContact O-CB 3.25Å; L528-N577 WeakPolarHBondContact O-CB 2.97Å; L528-N577 PolarHBondContact O-ND2 3.14Å; C529-N577 PolarHBondContact O-N 2.72Å; N577-P579 WeakPolarHBondContact OD1-CD 3.23Å; N577-P579 WeakPolarHBondContact OD1-CG 3.36Å; N577-A580 HydrophobicContact CB-CB 4.42Å; N577-A580 VanDerWaalsContact O-CB 3.3Å; N577-A580 WeakPolarHBondContact O-CB 3.48Å; N577-A580 PolarHBondContact O-N 2.81Å
578	R	95.3	Very high	92.5	Very high	5 Å²	5	13.6 Å²	13.6	2%	0.019	8%	0.078	C	C	.	.	H	α-helix	trans	-54.8	-49.4	-173.7	176.7	-176.1	-64.8	-83.5	-1	113.4	D295 V485 S488 A494 P495 M497 A580 L581 Y582	D295-R578 IonicContact OD2-NH2 3.67Å; D295-R578 PolarHBondContact OD2-NH2 3.11Å; V485-R578 PolarHBondContact O-NH1 3.26Å; V485-R578 VanDerWaalsContact O-NH1 3.08Å; S488-R578 PolarHBondContact OG-NH1 2.87Å; S488-R578 PolarHBondContact OG-NH2 2.63Å; A494-R578 PolarHBondContact O-NE 2.91Å; A494-R578 PolarHBondContact O-NH2 3.21Å; A494-R578 VanDerWaalsContact O-NH2 3.14Å; P495-R578 VanDerWaalsContact O-CB 3.24Å; P495-R578 WeakPolarHBondContact O-CB 3.02Å; P495-R578 PolarHBondContact O-N 2.96Å; M497-R578 HydrophobicContact CE-CB 3.66Å; M497-R578 HydrophobicContact CE-CG 3.87Å; M497-R578 VanDerWaalsContact CG-NH2 3.27Å; M497-R578 PolarHBondContact SD-NH1 3.1Å; M497-R578 VanDerWaalsContact SD-NH1 3.39Å; M497-R578 PolarHBondContact SD-NH2 2.85Å; R578-A580 PolarHBondContact O-N 3.26Å; R578-A580 VanDerWaalsContact O-N 3.1Å; R578-L581 WeakPolarHBondContact O-CB 3.38Å; R578-L581 PolarHBondContact O-N 3.15Å; R578-Y582 WeakPolarHBondContact CD-OH 3.46Å; R578-Y582 HydrophobicContact CG-CD2 4.17Å; R578-Y582 HydrophobicContact CG-CE1 4.23Å; R578-Y582 HydrophobicContact CG-CE2 3.5Å; R578-Y582 PolarHBondContact NH1-OH 3.16Å; R578-Y582 PolarHBondContact O-N 2.52Å
579	P	91.8	Very high	90.9	Very high	11 Å²	11	16.7 Å²	16.7	7%	0.071	10%	0.1	C	C	.	.	H	α-helix	trans	-48.4	-33.8	172	-31.7	27.6	0	0	0	115.9	N577 L581 Y582 G583 Y584 Y649	N577-P579 WeakPolarHBondContact OD1-CD 3.23Å; N577-P579 WeakPolarHBondContact OD1-CG 3.36Å; P579-L581 VanDerWaalsContact C-N 3.32Å; P579-L581 PolarHBondContact O-N 3.02Å; P579-Y582 PolarHBondContact O-N 3.39Å; P579-G583 PolarHBondContact O-N 3.4Å; P579-Y584 HydrophobicContact CB-CD2 4.25Å; P579-Y584 WeakPolarHBondContact O-CD2 3.45Å; P579-Y584 PolarHBondContact O-N 3.04Å; P579-Y649 HydrophobicContact CB-CE2 3.88Å; P579-Y649 HydrophobicContact CG-CE2 4.11Å
580	A	93.6	Very high	88.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-34.3	178.4	0	0	0	0	0	112.1	C529 N577 R578 G583 M755 W760	C529-A580 HydrophobicContact CB-CB 3.57Å; N577-A580 HydrophobicContact CB-CB 4.42Å; N577-A580 VanDerWaalsContact O-CB 3.3Å; N577-A580 WeakPolarHBondContact O-CB 3.48Å; N577-A580 PolarHBondContact O-N 2.81Å; R578-A580 PolarHBondContact O-N 3.26Å; R578-A580 VanDerWaalsContact O-N 3.1Å; A580-G583 PolarHBondContact O-N 3.39Å; A580-M755 HydrophobicContact CB-SD 4.4Å; A580-W760 HydrophobicContact CB-CD2 3.93Å; A580-W760 HydrophobicContact CB-CE3 4.3Å; A580-W760 HydrophobicContact CB-CG 4.44Å; A580-W760 HydrophobicContact CB-CH2 4.13Å; A580-W760 HydrophobicContact CB-CZ2 3.78Å; A580-W760 HydrophobicContact CB-CZ3 4.39Å
581	L	93.6	Very high	86.3	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-72.2	-32.7	174.6	-79	157.3	0	0	0	112.6	M497 F576 R578 P579 G583 G739 W740 T751 M755	M497-L581 HydrophobicContact CE-CD1 3.24Å; F576-L581 HydrophobicContact CB-CD1 3.69Å; F576-L581 HydrophobicContact CD1-CD1 3.96Å; F576-L581 HydrophobicContact CD1-CD2 4.46Å; F576-L581 HydrophobicContact CD1-CG 4.18Å; F576-L581 HydrophobicContact CG-CD1 3.86Å; R578-L581 WeakPolarHBondContact O-CB 3.38Å; R578-L581 PolarHBondContact O-N 3.15Å; P579-L581 VanDerWaalsContact C-N 3.32Å; P579-L581 PolarHBondContact O-N 3.02Å; L581-G583 PolarHBondContact O-N 2.7Å; L581-G583 VanDerWaalsContact O-N 3.07Å; L581-G739 PolarHBondContact O-N 3.38Å; L581-W740 HydrophobicContact CD1-CE3 4.42Å; L581-W740 HydrophobicContact CD1-CH2 3.47Å; L581-W740 VanDerWaalsContact CD1-CH2 3.47Å; L581-W740 HydrophobicContact CD1-CZ2 4.49Å; L581-W740 HydrophobicContact CD1-CZ3 3.41Å; L581-W740 VanDerWaalsContact CD1-CZ3 3.41Å; L581-W740 HydrophobicContact CD2-CD2 4.12Å; L581-W740 HydrophobicContact CD2-CE3 3.57Å; L581-W740 HydrophobicContact CD2-CH2 3.83Å; L581-W740 HydrophobicContact CD2-CZ2 4.35Å; L581-W740 HydrophobicContact CD2-CZ3 3.39Å; L581-W740 HydrophobicContact CG-CH2 4.3Å; L581-W740 HydrophobicContact CG-CZ3 3.99Å; L581-T751 HydrophobicContact CD2-CG2 4.17Å; L581-M755 HydrophobicContact CB-CE 4.3Å; L581-M755 HydrophobicContact CD2-CE 3.21Å; L581-M755 HydrophobicContact CG-CE 3.44Å; L581-M755 VanDerWaalsContact CG-CE 3.44Å
582	Y	92.9	Very high	84.2	Confident	3 Å²	3	39.4 Å²	39.4	1%	0.012	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-1.2	170.9	-62.7	-24.2	0	0	0	113.4	V485 A489 R578 P579 Y584 R689 F690 F696 T700 W734 I738	V485-Y582 HydrophobicContact CG1-CE1 3.7Å; A489-Y582 WeakPolarHBondContact CB-OH 3.25Å; R578-Y582 WeakPolarHBondContact CD-OH 3.46Å; R578-Y582 HydrophobicContact CG-CD2 4.17Å; R578-Y582 HydrophobicContact CG-CE1 4.23Å; R578-Y582 HydrophobicContact CG-CE2 3.5Å; R578-Y582 PolarHBondContact NH1-OH 3.16Å; R578-Y582 PolarHBondContact O-N 2.52Å; P579-Y582 PolarHBondContact O-N 3.39Å; Y582-Y584 VanDerWaalsContact C-N 3.34Å; Y582-Y584 HydrophobicContact CD2-CE2 4.25Å; Y582-Y584 HydrophobicContact CG-CE2 4.48Å; Y582-R689 PolarHBondContact O-NH2 3.36Å; Y582-F690 HydrophobicContact CD1-CE1 4.06Å; Y582-F690 AromaticContact CG-CE1 3.99Å; Y582-F690 HydrophobicContact CG-CE1 3.99Å; Y582-F690 HydrophobicContact CG-CZ 4.42Å; Y582-F696 HydrophobicContact CE1-CE2 4.44Å; Y582-F696 AromaticContact CE1-CZ 3.89Å; Y582-F696 HydrophobicContact CE1-CZ 3.89Å; Y582-T700 HydrophobicContact CD2-CG2 3.99Å; Y582-T700 HydrophobicContact CE1-CG2 4.45Å; Y582-T700 HydrophobicContact CE2-CG2 3.7Å; Y582-T700 HydrophobicContact CG-CG2 4.46Å; Y582-W734 HydrophobicContact CE1-CH2 4.39Å; Y582-I738 WeakPolarHBondContact O-CG2 3.32Å
583	G	89.6	Confident	81.7	Confident	8 Å²	8	48.5 Å²	48.5	8%	0.082	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	19.8	174.9	0	0	0	0	0	114	P579 A580 L581 R689 R758	P579-G583 PolarHBondContact O-N 3.4Å; A580-G583 PolarHBondContact O-N 3.39Å; L581-G583 PolarHBondContact O-N 2.7Å; L581-G583 VanDerWaalsContact O-N 3.07Å; G583-R689 PolarHBondContact O-NH2 2.84Å; G583-R758 VanDerWaalsContact CA-NH1 3.32Å
584	Y	89.9	Confident	78.8	Confident	35 Å²	35	57.2 Å²	57.2	14%	0.137	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.6	153.5	167	-67.2	-71.5	0	0	0	110.5	P579 Y582 F690 W760	P579-Y584 HydrophobicContact CB-CD2 4.25Å; P579-Y584 WeakPolarHBondContact O-CD2 3.45Å; P579-Y584 PolarHBondContact O-N 3.04Å; Y582-Y584 VanDerWaalsContact C-N 3.34Å; Y582-Y584 HydrophobicContact CD2-CE2 4.25Å; Y582-Y584 HydrophobicContact CG-CE2 4.48Å; Y584-F690 HydrophobicContact CE2-CZ 4.4Å; Y584-W760 PolarHBondContact O-NE1 2.85Å
585	E	88.1	Confident	76.2	Confident	43 Å²	43	62.6 Å²	62.6	20%	0.201	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-87.8	146.8	170.3	-65.5	-165.3	168.3	0	0	109.7	Y649 K812	E585-Y649 WeakPolarHBondContact O-CD1 3.29Å; E585-K812 IonicContact OE2-NZ 3.7Å; E585-K812 PolarHBondContact OE2-NZ 3.27Å
586	P	90	Very high	73.2	Confident	10 Å²	10	67.8 Å²	67.8	7%	0.065	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62.6	153.7	175.1	29.2	-34.8	0	0	0	110.8	V588 R758 W760	P586-V588 PolarHBondContact O-N 2.9Å; P586-R758 VanDerWaalsContact CD-O 3.32Å; P586-R758 WeakPolarHBondContact CD-O 3.42Å; P586-W760 HydrophobicContact CB-CD2 3.89Å; P586-W760 HydrophobicContact CB-CE3 3.84Å; P586-W760 HydrophobicContact CB-CH2 4.31Å; P586-W760 HydrophobicContact CB-CZ2 4.31Å; P586-W760 HydrophobicContact CB-CZ3 4.06Å; P586-W760 HydrophobicContact CG-CD2 4.14Å; P586-W760 HydrophobicContact CG-CG 4.27Å
587	P	82.4	Confident	70.5	Confident	20 Å²	20	71.8 Å²	71.8	13%	0.13	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-59.2	135.9	178.2	25.9	-33.6	0	0	0	110.7	K526 K527 S589	K526-P587 HydrophobicContact CB-CG 4.03Å; K526-P587 WeakPolarHBondContact O-CD 3.47Å; K527-P587 HydrophobicContact CG-CG 4.46Å; P587-S589 PolarHBondContact O-N 3.17Å
588	V	73	Confident	67.9	Low	108 Å²	108	78.9 Å²	78.9	66%	0.655	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-65	127.5	176.5	-175.6	0	0	0	0	108.1	P586 E590	P586-V588 PolarHBondContact O-N 2.9Å; V588-E590 PolarHBondContact O-N 3.47Å
589	S	62.4	Low	65.2	Low	69 Å²	69	83.3 Å²	83.3	48%	0.483	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-58.9	124.5	170.5	53.1	0	0	0	0	109.1	P587 K591	P587-S589 PolarHBondContact O-N 3.17Å; S589-K591 PolarHBondContact O-N 3.22Å
590	E	51.5	Low	62.3	Low	191 Å²	191	92.3 Å²	92.3	89%	0.893	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-52.6	116.8	161.2	-70.4	-172.8	169.4	0	0	107	V588 R592	V588-E590 PolarHBondContact O-N 3.47Å; E590-R592 PolarHBondContact O-N 3.32Å
591	K	43.7	Very low	59.4	Low	196 Å²	196	97 Å²	97	85%	0.852	49%	0.49	S	S	*	.			trans	-60.5	114.5	173.1	-76.2	-176.1	179.1	179.7	0	105.4	S589 K593	S589-K591 PolarHBondContact O-N 3.22Å; K591-K593 PolarHBondContact O-N 3.48Å
592	R	47.7	Very low	56.9	Low	112 Å²	112	103.1 Å²	103.1	42%	0.423	53%	0.533	S	S	.	.			trans	-45.7	120.9	168.7	-167.3	178.8	-170.1	145.5	0.1	106.6	V25 Y56 E57 E590 K594	V25-R592 VanDerWaalsContact CG1-CZ 3.44Å; V25-R592 VanDerWaalsContact CG1-NH1 3.34Å; Y56-R592 VanDerWaalsContact CE1-NH2 3.33Å; E57-R592 IonicContact OE1-CZ 3.7Å; E57-R592 IonicContact OE1-NH1 2.76Å; E57-R592 PolarHBondContact OE1-NH1 3.47Å; E57-R592 IonicContact OE1-NH2 3.11Å; E57-R592 PolarHBondContact OE1-NH2 3.13Å; E590-R592 PolarHBondContact O-N 3.32Å; R592-K594 PolarHBondContact O-N 2.92Å
593	K	42.1	Very low	54.6	Low	192 Å²	192	112.7 Å²	112.7	84%	0.835	57%	0.569	S	S	*	*			trans	-50.6	120	172.9	-78	-179.9	179.1	177.2	0	105.4	K591 M595	K591-K593 PolarHBondContact O-N 3.48Å; K593-M595 PolarHBondContact O-N 3.44Å
594	K	36.8	Very low	52.1	Low	187 Å²	187	117.8 Å²	117.8	81%	0.813	59%	0.594	S	S	*	*			trans	-55.4	113.1	169.3	-77.8	-174.8	174.1	-172.4	0	104.7	R592 T596	R592-K594 PolarHBondContact O-N 2.92Å; K594-T596 PolarHBondContact O-N 3.33Å
595	M	42.7	Very low	49.3	Very low	112 Å²	112	121.6 Å²	121.6	55%	0.552	62%	0.624	S	S	*	*			trans	-68.1	92.1	168.7	-73.5	-179.9	80.5	0	0	105	K593 C597	K593-M595 PolarHBondContact O-N 3.44Å; M595-C597 PolarHBondContact O-N 3.47Å
596	T	37.3	Very low	46.7	Very low	110 Å²	110	125.1 Å²	125.1	68%	0.675	65%	0.652	S	S	*	*			trans	-66.8	124.8	150.8	47.6	0	0	0	0	104.7	K594 D598	K594-T596 PolarHBondContact O-N 3.33Å; T596-D598 PolarHBondContact O-N 3.38Å
597	C	41.3	Very low	44	Very low	84 Å²	84	130.4 Å²	130.4	57%	0.568	69%	0.688	S	S	*	*			trans	-56.4	125.2	170.6	58.9	0	0	0	0	108.2	M595 C599	M595-C597 PolarHBondContact O-N 3.47Å; C597-C599 HydrophobicContact CB-CB 4.29Å; C597-C599 VanDerWaalsContact CB-SG 3.59Å; C597-C599 PolarHBondContact O-N 2.49Å
598	D	40.7	Very low	41.7	Very low	158 Å²	158	135.6 Å²	135.6	85%	0.845	72%	0.723	S	S	*	*	S	Bend	trans	-69	19.8	173.2	-75.1	-32.6	0	0	0	112.2	T596 W600	T596-D598 PolarHBondContact O-N 3.38Å; D598-W600 PolarHBondContact O-N 3.23Å; D598-W600 VanDerWaalsContact O-N 3.14Å
599	C	39	Very low	39.5	Very low	99 Å²	99	134.4 Å²	134.4	67%	0.669	73%	0.733	S	S	*	*			trans	-72.9	1.4	-179.2	-52.8	0	0	0	0	113.8	C597	C597-C599 HydrophobicContact CB-CB 4.29Å; C597-C599 VanDerWaalsContact CB-SG 3.59Å; C597-C599 PolarHBondContact O-N 2.49Å
600	W	29.3	Very low	37.8	Very low	199 Å²	199	135 Å²	135	75%	0.754	75%	0.75	S	S	*	*	S	Bend	trans	-120	106.1	175.1	-109.3	29.2	0	0	0	111.8	D598 S602	D598-W600 PolarHBondContact O-N 3.23Å; D598-W600 VanDerWaalsContact O-N 3.14Å; W600-S602 PolarHBondContact O-N 3.12Å
601	P	33.8	Very low	36.5	Very low	98 Å²	98	129.4 Å²	129.4	64%	0.636	74%	0.744	S	S	*	*			trans	-57.3	135.6	172.9	-22.6	32.5	0	0	0	111.4	W603	P601-W603 PolarHBondContact O-N 2.92Å
602	S	41.4	Very low	35.7	Very low	131 Å²	131	128 Å²	128	92%	0.916	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	12.6	-165.4	73.9	0	0	0	0	117.3	W600	W600-S602 PolarHBondContact O-N 3.12Å
603	W	43.3	Very low	34.7	Very low	204 Å²	204	134 Å²	134	77%	0.773	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-7.2	-173	87.9	-44.7	0	0	0	115.8	P601	P601-W603 PolarHBondContact O-N 2.92Å
604	I	38.1	Very low	33.7	Very low	116 Å²	116	132.6 Å²	132.6	60%	0.595	77%	0.77	S	S	*	*	S	Bend	trans	-101.4	-4.1	-178.5	-73	166.3	0	0	0	114.3	C606	I604-C606 VanDerWaalsContact C-N 3.28Å; I604-C606 PolarHBondContact O-N 2.89Å
605	C	30.5	Very low	33.1	Very low	114 Å²	114	132.4 Å²	132.4	77%	0.77	77%	0.771	S	S	*	*			trans	-91.3	37.1	174.1	-158.3	0	0	0	0	113.7
606	C	34.6	Very low	32	Very low	117 Å²	117	136.9 Å²	136.9	79%	0.791	79%	0.788	S	S	*	*			trans	-99.7	15	-176.4	-127.3	0	0	0	0	115.1	I604	I604-C606 VanDerWaalsContact C-N 3.28Å; I604-C606 PolarHBondContact O-N 2.89Å
607	C	32.5	Very low	31.4	Very low	122 Å²	122	137.3 Å²	137.3	82%	0.824	80%	0.795	S	S	*	*			trans	-118.8	17.9	-174.6	-69.2	0	0	0	0	116.6
608	C	33.7	Very low	30.4	Very low	128 Å²	128	140.9 Å²	140.9	87%	0.865	81%	0.809	S	S	*	*	S	Bend	trans	-130.9	72.9	171.2	-65.3	0	0	0	0	112.5
609	G	26.7	Very low	29.6	Very low	84 Å²	84	138.4 Å²	138.4	87%	0.866	80%	0.804	S	S	*	*			trans	58.7	112.2	134.3	0	0	0	0	0	119.9
610	G	26.4	Very low	28.7	Very low	81 Å²	81	139 Å²	139	84%	0.835	81%	0.809	S	S	*	*			trans	147.8	48.3	150.6	0	0	0	0	0	116.5
611	G	24.3	Very low	28.4	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	82%	0.817	S	S	*	*			trans	-66.3	139.4	166.6	0	0	0	0	0	111.2
612	N	26.9	Very low	27.7	Very low	167 Å²	167	145 Å²	145	89%	0.893	83%	0.831	S	S	*	*			trans	-133.3	105.1	149.9	-124.4	0.5	0	0	0	108.8
613	R	27.3	Very low	26.8	Very low	236 Å²	236	148.7 Å²	148.7	89%	0.891	83%	0.83	S	S	*	*			trans	-72.2	134.1	-179.7	-75.2	172.9	169.7	167	-4.1	109.4	H615	R613-H615 PolarHBondContact O-N 2.94Å
614	N	21	Very low	25.9	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	84%	0.838	S	S	*	*			trans	-59	120.5	166.7	-72.9	-35.2	0	0	0	110.2
615	H	24.2	Very low	25.3	Very low	183 Å²	183	142.6 Å²	142.6	85%	0.847	84%	0.837	S	S	*	*			trans	-129.9	123	156.5	-113.4	-81.2	0	0	0	109.9	R613	R613-H615 PolarHBondContact O-N 2.94Å
616	K	19.5	Very low	25.3	Very low	207 Å²	207	144.9 Å²	144.9	90%	0.9	84%	0.84	S	S	*	*			trans	-67.7	132.1	166.9	-73.8	169.6	171.2	173.1	0	108.8
617	S	24.2	Very low	24.9	Very low	119 Å²	119	148.7 Å²	148.7	83%	0.832	84%	0.843	S	S	*	*			trans	-151.6	136.2	151.5	61.8	0	0	0	0	110
618	D	21	Very low	24.7	Very low	159 Å²	159	147.4 Å²	147.4	85%	0.85	84%	0.836	S	S	*	*			trans	-65.4	167.6	-173	-81.5	-55.9	0	0	0	116.6
619	S	23	Very low	24.4	Very low	105 Å²	105	148.5 Å²	148.5	73%	0.734	83%	0.832	S	S	*	*			trans	93.8	93.4	153.2	77.4	0	0	0	0	119.3
620	S	20.9	Very low	24.5	Very low	111 Å²	111	154 Å²	154	78%	0.776	83%	0.833	S	S	*	*				31.6	106.2	126	61.6	0	0	0	0	119.6
621	K	23.4	Very low	24.7	Very low	212 Å²	212	154.8 Å²	154.8	92%	0.922	83%	0.826	S	S	*	*			trans	-150.9	115.9	135.7	-109.2	169.5	-170.4	170.9	0	110.2	K623	K621-K623 PolarHBondContact O-N 3.16Å
622	K	19.6	Very low	24.6	Very low	213 Å²	213	160.3 Å²	160.3	93%	0.926	83%	0.829	S	S	*	*			trans	-52.9	121.9	173.9	-79	170.1	170.2	171.8	0	110.8
623	K	22.2	Very low	24.5	Very low	208 Å²	208	160.7 Å²	160.7	90%	0.904	83%	0.83	S	S	*	*			trans	-132.5	111.9	147.9	-97	-176.2	177.5	178	0	108.8	K621	K621-K623 PolarHBondContact O-N 3.16Å
624	S	22.9	Very low	24.4	Very low	134 Å²	134	159 Å²	159	94%	0.937	83%	0.829	S	S	*	*			trans	-55	128.2	170.2	173.8	0	0	0	0	110.1
625	G	27	Very low	24.4	Very low	57 Å²	57	161.1 Å²	161.1	59%	0.588	83%	0.83	S	S	*	*			trans	-170.4	118.3	178.2	0	0	0	0	0	110	K627	G625-K627 PolarHBondContact O-N 2.73Å
626	I	30.3	Very low	24.5	Very low	162 Å²	162	162.4 Å²	162.4	83%	0.831	83%	0.833	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	22.2	-159.3	-133.2	161.1	0	0	0	115.9
627	K	26.6	Very low	24.6	Very low	197 Å²	197	158.8 Å²	158.8	86%	0.857	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	6.9	-178.4	-78.8	-177.4	174.6	176.9	0	115	G625	G625-K627 PolarHBondContact O-N 2.73Å
628	S	26.7	Very low	24.5	Very low	96 Å²	96	163.5 Å²	163.5	67%	0.671	84%	0.835	S	S	*	*	S	Bend	trans	-94.6	-9.7	-178.3	-173	0	0	0	0	114.9
629	L	28.1	Very low	24.7	Very low	150 Å²	150	165.1 Å²	165.1	79%	0.785	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-16.6	-179.7	-96.5	154	0	0	0	114.5
630	F	29.8	Very low	24.5	Very low	200 Å²	200	169.8 Å²	169.8	88%	0.877	84%	0.841	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	5.1	-172.9	-77.7	-77.8	0	0	0	116.3
631	S	29.1	Very low	24.6	Very low	98 Å²	98	169.6 Å²	169.6	69%	0.685	84%	0.839	S	S	*	*	S	Bend	trans	-109.3	1.6	-178.6	67.3	0	0	0	0	116
632	K	23.8	Very low	24.6	Very low	190 Å²	190	166.8 Å²	166.8	83%	0.826	84%	0.835	S	S	*	*	S	Bend	trans	-101.9	1.8	178	-86.6	-173.2	178.3	177.4	0	116.8
633	L	24.5	Very low	24.9	Very low	175 Å²	175	163 Å²	163	92%	0.916	83%	0.825	S	S	*	*	S	Bend	trans	-106.8	55.2	172.6	-119	82.8	0	0	0	112.9
634	K	25.6	Very low	25	Very low	201 Å²	201	163.1 Å²	163.1	87%	0.874	83%	0.825	S	S	*	*			trans	-147.7	53.4	165.1	-113.4	-178.2	-171.7	175.9	0	112.3
635	K	20.8	Very low	25.1	Very low	207 Å²	207	162.9 Å²	162.9	90%	0.9	82%	0.818	S	S	*	*			trans	-123.4	75.3	155.6	-89.7	-176.1	174.4	178.2	0	107.9
636	K	26.4	Very low	25.1	Very low	209 Å²	209	168.6 Å²	168.6	91%	0.909	83%	0.832	S	S	*	*			trans	-94.3	111.1	159.1	-90.7	-171.2	175	-178	0	107.9	K638	K636-K638 PolarHBondContact O-N 3.4Å
637	T	21.5	Very low	25.4	Very low	132 Å²	132	163.6 Å²	163.6	81%	0.81	81%	0.811	S	S	*	*			trans	-45.1	122	172.1	13.9	0	0	0	0	111.4	K639	T637-K639 PolarHBondContact O-N 3.34Å
638	K	21.7	Very low	26.1	Very low	218 Å²	218	157 Å²	157	95%	0.948	79%	0.79	S	S	*	*			trans	-64.3	96.3	159.6	-99	177.9	169.4	175.4	0	107.2	K636	K636-K638 PolarHBondContact O-N 3.4Å
639	K	23.9	Very low	26.7	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.835	77%	0.765	S	S	*	*			trans	-94.4	114.8	165.4	-138.4	175.9	-176.7	-179.3	0	107.1	T637 S641	T637-K639 PolarHBondContact O-N 3.34Å; K639-S641 PolarHBondContact O-N 2.98Å
640	K	19.3	Very low	27.5	Very low	204 Å²	204	149.2 Å²	149.2	89%	0.887	74%	0.743	S	S	*	*			trans	-68.2	115.2	162.5	-85.2	177.1	167.5	-177.5	0	106.2
641	S	23.4	Very low	27.9	Very low	106 Å²	106	147.9 Å²	147.9	74%	0.741	73%	0.732	S	S	*	*			trans	-122.7	117.9	160.3	51.2	0	0	0	0	106.4	K639 D643	K639-S641 PolarHBondContact O-N 2.98Å; S641-D643 PolarHBondContact O-N 3.46Å; S641-D643 VanDerWaalsContact O-N 3.08Å
642	D	23.4	Very low	27.9	Very low	154 Å²	154	151.6 Å²	151.6	82%	0.824	74%	0.736	S	S	*	*			trans	-70.7	93	175.7	-70.5	-47.7	0	0	0	108.8
643	D	25.1	Very low	28.5	Very low	133 Å²	133	148 Å²	148	71%	0.711	72%	0.717	S	S	*	*			trans	-139.6	103.8	161.5	-112.4	-20.9	0	0	0	107.8	S641 T645	S641-D643 PolarHBondContact O-N 3.46Å; S641-D643 VanDerWaalsContact O-N 3.08Å; D643-T645 PolarHBondContact O-N 3.14Å; D643-T645 VanDerWaalsContact O-N 3.1Å
644	K	25.1	Very low	28.7	Very low	210 Å²	210	144.4 Å²	144.4	91%	0.913	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	20.7	-169.7	-85.2	-178.1	177.4	174.2	0	114.4
645	T	24.9	Very low	29.1	Very low	130 Å²	130	139.4 Å²	139.4	80%	0.798	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	23.3	178.8	46.9	0	0	0	0	113.8	D643	D643-T645 PolarHBondContact O-N 3.14Å; D643-T645 VanDerWaalsContact O-N 3.1Å
646	M	26.9	Very low	29.6	Very low	176 Å²	176	134.8 Å²	134.8	87%	0.867	69%	0.686	S	S	*	*			trans	-80	122.5	167.9	-107.7	-159.1	79.6	0	0	112
647	S	37.5	Very low	29.8	Very low	58 Å²	58	130.6 Å²	130.6	41%	0.406	67%	0.67	S	S	.	*			trans	-37.9	138	178.4	174.5	0	0	0	0	115.2	Y649 E703	S647-Y649 PolarHBondContact O-N 3.06Å; S647-Y649 PolarHBondContact OG-N 3.12Å; S647-E703 WeakPolarHBondContact CA-OE1 3.46Å; S647-E703 WeakPolarHBondContact CB-OE1 3.33Å; S647-E703 PolarHBondContact OG-OE1 3.28Å
648	S	40.7	Very low	30.5	Very low	57 Å²	57	125.4 Å²	125.4	40%	0.399	64%	0.64	S	S	.	*	S	Bend	trans	-71.4	-12.5	178.7	-178	0	0	0	0	113.6	E703	S648-E703 PolarHBondContact N-OE1 2.85Å
649	Y	39.7	Very low	31	Very low	37 Å²	37	120 Å²	120	15%	0.145	62%	0.62	C	S	.	*	P	Polyproline II helix	trans	-91.6	120.8	-174.4	-64.3	-67.8	0	0	0	111.9	P579 E585 S647 E703 W760	P579-Y649 HydrophobicContact CB-CE2 3.88Å; P579-Y649 HydrophobicContact CG-CE2 4.11Å; E585-Y649 WeakPolarHBondContact O-CD1 3.29Å; S647-Y649 PolarHBondContact O-N 3.06Å; S647-Y649 PolarHBondContact OG-N 3.12Å; Y649-E703 HydrophobicContact CD2-CG 4.49Å; Y649-E703 HydrophobicContact CE2-CG 4.35Å; Y649-W760 HydrophobicContact CD1-CH2 4.35Å; Y649-W760 HydrophobicContact CD1-CZ2 4.45Å; Y649-W760 AromaticContact CE1-CH2 3.45Å; Y649-W760 HydrophobicContact CE1-CH2 3.45Å; Y649-W760 VanDerWaalsContact CE1-CH2 3.45Å; Y649-W760 AromaticContact CE1-CZ2 3.96Å; Y649-W760 HydrophobicContact CE1-CZ2 3.96Å; Y649-W760 HydrophobicContact CE1-CZ3 4.44Å
650	S	44.1	Very low	31.4	Very low	47 Å²	47	118 Å²	118	33%	0.329	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-82.7	135.3	-178.7	62.2	0	0	0	0	112.9
651	R	38.5	Very low	32.5	Very low	172 Å²	172	111.9 Å²	111.9	65%	0.649	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-86.3	119.5	173.2	-174.1	177.5	-179.2	174.6	-0.7	110.5	N685	R651-N685 PolarHBondContact NH2-ND2 2.97Å
652	K	28.3	Very low	33.2	Very low	176 Å²	176	109.2 Å²	109.2	77%	0.765	57%	0.566	S	S	*	*			trans	-143.3	132	162.5	-141	173.8	-175	180	0	111.5
653	R	37	Very low	34.4	Very low	113 Å²	113	106.8 Å²	106.8	43%	0.426	55%	0.55	S	S	.	.			trans	-78.5	149.7	-176.1	-85.7	178.7	170.1	-175.9	-1.8	112.2	A658 L662	R653-A658 PolarHBondContact NH1-O 3.06Å; R653-L662 VanDerWaalsContact NH2-CD1 3.32Å
654	S	29.8	Very low	35.7	Very low	101 Å²	101	105.4 Å²	105.4	71%	0.706	54%	0.543	S	S	*	.			trans	-72	127.3	152.2	-173.8	0	0	0	0	108.3	T656	S654-T656 PolarHBondContact O-N 3Å
655	S	32.8	Very low	37	Very low	95 Å²	95	97 Å²	97	66%	0.664	51%	0.507	S	S	*	.	S	Bend	trans	-84.3	5	-155.9	49	0	0	0	0	117.3
656	T	32	Very low	38.2	Very low	111 Å²	111	95.1 Å²	95.1	68%	0.681	49%	0.49	S	S	*	.	S	Bend	trans	-109.6	-32.6	-165.5	-33.1	0	0	0	0	115.9	S654	S654-T656 PolarHBondContact O-N 3Å
657	E	29.9	Very low	39.7	Very low	121 Å²	121	93 Å²	93	57%	0.565	48%	0.477	S	S	*	.	S	Bend	trans	-100.7	-15.7	-176.3	-78.2	167.3	163.3	0	0	114	R801	E657-R801 IonicContact OE1-CZ 2.82Å; E657-R801 IonicContact OE1-NH1 2.93Å; E657-R801 PolarHBondContact OE1-NH1 3Å; E657-R801 IonicContact OE1-NH2 2.63Å; E657-R801 PolarHBondContact OE1-NH2 3.47Å; E657-R801 VanDerWaalsContact OE1-NH2 3.09Å; E657-R801 IonicContact OE2-CZ 3.47Å; E657-R801 IonicContact OE2-NH1 3.46Å; E657-R801 PolarHBondContact OE2-NH1 3.5Å; E657-R801 IonicContact OE2-NH2 3.26Å; E657-R801 PolarHBondContact OE2-NH2 3.16Å
658	A	36.2	Very low	40.5	Very low	23 Å²	23	93 Å²	93	19%	0.19	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	5.7	-171.3	0	0	0	0	0	115.3	R653 L662	R653-A658 PolarHBondContact NH1-O 3.06Å; A658-L662 WeakPolarHBondContact O-CB 3.48Å
659	I	33	Very low	41.1	Very low	103 Å²	103	90.4 Å²	90.4	53%	0.528	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-48.8	174.2	-65.9	173.3	0	0	0	109	D661 L662	I659-D661 PolarHBondContact O-N 3.3Å; I659-L662 PolarHBondContact O-N 2.88Å
660	F	32.2	Very low	41.5	Very low	152 Å²	152	96 Å²	96	67%	0.667	50%	0.496	S	S	*	.	H	α-helix	trans	-60.7	-46.3	177.8	-73.1	-81	0	0	0	112.6	L662 E663	F660-L662 VanDerWaalsContact C-N 3.34Å; F660-L662 PolarHBondContact O-N 3.01Å; F660-E663 PolarHBondContact O-N 3.35Å
661	D	42.2	Very low	42.4	Very low	74 Å²	74	97.8 Å²	97.8	40%	0.396	52%	0.521	S	S	.	.	H	α-helix	trans	-73.1	-17.7	-178	-86.5	3.2	0	0	0	115.4	I659 I665 K688	I659-D661 PolarHBondContact O-N 3.3Å; D661-I665 WeakPolarHBondContact O-CG1 3.25Å; D661-K688 IonicContact OD2-NZ 3.54Å; D661-K688 PolarHBondContact OD2-NZ 3.41Å
662	L	38.3	Very low	43	Very low	50 Å²	50	95.5 Å²	95.5	26%	0.262	51%	0.513	S	S	.	.	H	α-helix	trans	-81.5	-33.6	179.3	-159.6	69.6	0	0	0	111	R653 A658 I659 F660 I665 E666	R653-L662 VanDerWaalsContact NH2-CD1 3.32Å; A658-L662 WeakPolarHBondContact O-CB 3.48Å; I659-L662 PolarHBondContact O-N 2.88Å; F660-L662 VanDerWaalsContact C-N 3.34Å; F660-L662 PolarHBondContact O-N 3.01Å; L662-I665 PolarHBondContact O-N 2.96Å; L662-E666 WeakPolarHBondContact O-CB 3.42Å; L662-E666 PolarHBondContact O-N 3.43Å
663	E	48.6	Very low	44.8	Very low	103 Å²	103	92.8 Å²	92.8	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-46.4	175.2	-70	172.8	176.8	0	0	109.8	F660 I665 E666 E667	F660-E663 PolarHBondContact O-N 3.35Å; E663-I665 VanDerWaalsContact C-N 3.33Å; E663-I665 PolarHBondContact O-N 2.92Å; E663-E666 PolarHBondContact O-N 3.25Å; E663-E666 VanDerWaalsContact O-N 3.1Å; E663-E667 WeakPolarHBondContact O-CG 3.43Å; E663-E667 PolarHBondContact O-N 2.57Å
664	D	52.4	Low	46	Very low	104 Å²	104	95.8 Å²	95.8	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-59.5	-37.5	177.3	-65.7	-17.7	0	0	0	113.7
665	I	52	Low	47.2	Very low	34 Å²	34	98 Å²	98	17%	0.174	53%	0.529	C	S	.	.	H	α-helix	trans	-75.4	-33.7	178.3	-64.8	171.1	0	0	0	110.9	D661 L662 E663 L669 M681 K684	D661-I665 WeakPolarHBondContact O-CG1 3.25Å; L662-I665 PolarHBondContact O-N 2.96Å; E663-I665 VanDerWaalsContact C-N 3.33Å; E663-I665 PolarHBondContact O-N 2.92Å; I665-L669 HydrophobicContact CG2-CD1 4.24Å; I665-L669 WeakPolarHBondContact O-CD1 3.39Å; I665-L669 WeakPolarHBondContact O-CG 3.11Å; I665-M681 HydrophobicContact CG2-CG 4.38Å; I665-K684 HydrophobicContact CG2-CD 3.99Å
666	E	51	Low	48.6	Very low	91 Å²	91	98.2 Å²	98.2	43%	0.425	52%	0.52	S	S	.	.	H	α-helix	trans	-72.7	-38.8	-179.9	-173.2	166.7	-171	0	0	112.1	L662 E663 L669	L662-E666 WeakPolarHBondContact O-CB 3.42Å; L662-E666 PolarHBondContact O-N 3.43Å; E663-E666 PolarHBondContact O-N 3.25Å; E663-E666 VanDerWaalsContact O-N 3.1Å; E666-L669 PolarHBondContact O-N 3.41Å
667	E	57.4	Low	49.8	Very low	131 Å²	131	95.1 Å²	95.1	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-59.1	-43.8	172.6	-75.1	-175.3	178.3	0	0	111.5	E663 L669 E670	E663-E667 WeakPolarHBondContact O-CG 3.43Å; E663-E667 PolarHBondContact O-N 2.57Å; E667-L669 PolarHBondContact O-N 3.46Å; E667-L669 VanDerWaalsContact O-N 3.07Å; E667-E670 WeakPolarHBondContact O-CG 3.36Å; E667-E670 PolarHBondContact O-N 3.04Å
668	G	55.4	Low	51.5	Low	57 Å²	57	92.4 Å²	92.4	59%	0.588	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	2.4	177.7	0	0	0	0	0	115.7
669	L	52.8	Low	53.2	Low	4 Å²	4	94.6 Å²	94.6	2%	0.021	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	11	177.2	-70.5	165.4	0	0	0	112.3	I665 E666 E667 G671 Y672 K677 L680 M681	I665-L669 HydrophobicContact CG2-CD1 4.24Å; I665-L669 WeakPolarHBondContact O-CD1 3.39Å; I665-L669 WeakPolarHBondContact O-CG 3.11Å; E666-L669 PolarHBondContact O-N 3.41Å; E667-L669 PolarHBondContact O-N 3.46Å; E667-L669 VanDerWaalsContact O-N 3.07Å; L669-G671 PolarHBondContact O-N 2.77Å; L669-G671 VanDerWaalsContact O-N 3.15Å; L669-Y672 HydrophobicContact CD2-CD2 4.15Å; L669-Y672 HydrophobicContact CD2-CE2 4.39Å; L669-Y672 PolarHBondContact O-N 2.98Å; L669-K677 HydrophobicContact CB-CD 4.46Å; L669-K677 HydrophobicContact CB-CG 4.04Å; L669-K677 WeakPolarHBondContact O-CE 3.45Å; L669-L680 HydrophobicContact CD2-CB 4Å; L669-L680 HydrophobicContact CD2-CD1 3.89Å; L669-M681 HydrophobicContact CD1-CG 3.49Å; L669-M681 VanDerWaalsContact CD1-CG 3.49Å
670	E	47.7	Very low	54.7	Low	154 Å²	154	92 Å²	92	72%	0.72	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	115.2	172.2	-72.8	-176.4	174.5	0	0	110.8	E667	E667-E670 WeakPolarHBondContact O-CG 3.36Å; E667-E670 PolarHBondContact O-N 3.04Å
671	G	62.7	Low	56.1	Low	84 Å²	84	86.8 Å²	86.8	87%	0.866	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.7	-11.6	-178.2	0	0	0	0	0	116	L669	L669-G671 PolarHBondContact O-N 2.77Å; L669-G671 VanDerWaalsContact O-N 3.15Å
672	Y	51.3	Low	57.8	Low	124 Å²	124	85.4 Å²	85.4	49%	0.486	47%	0.466	S	S	.	.	S	Bend	trans	-97.2	148.4	177.2	-68.5	-89.3	0	0	0	112.8	L669 E676 L680	L669-Y672 HydrophobicContact CD2-CD2 4.15Å; L669-Y672 HydrophobicContact CD2-CE2 4.39Å; L669-Y672 PolarHBondContact O-N 2.98Å; Y672-E676 HydrophobicContact CD1-CB 4.34Å; Y672-E676 WeakPolarHBondContact CD1-OE2 3.49Å; Y672-L680 HydrophobicContact CD1-CD1 3.67Å; Y672-L680 HydrophobicContact CD2-CD1 4.34Å; Y672-L680 HydrophobicContact CE1-CD1 3.81Å; Y672-L680 HydrophobicContact CE2-CD1 4.46Å; Y672-L680 HydrophobicContact CG-CD1 3.95Å
673	D	66.2	Low	59.7	Low	120 Å²	120	87.6 Å²	87.6	64%	0.642	48%	0.476	S	S	*	.			trans	-62.3	153.2	173.5	-78.2	-23.4	0	0	0	111.7	L675 E676 K677	D673-L675 VanDerWaalsContact C-N 3.26Å; D673-L675 PolarHBondContact O-N 3.39Å; D673-L675 VanDerWaalsContact O-N 3.14Å; D673-E676 HydrophobicContact CB-CG 4.44Å; D673-E676 PolarHBondContact O-N 3.42Å; D673-K677 PolarHBondContact O-N 2.91Å
674	E	62.4	Low	61.2	Low	176 Å²	176	86.4 Å²	86.4	82%	0.822	47%	0.469	S	S	*	.	H	α-helix	trans	-55.6	-37	-175.1	-79.1	-160.8	157.9	0	0	114	S678	E674-S678 WeakPolarHBondContact O-CB 3.38Å; E674-S678 PolarHBondContact O-N 3.21Å
675	L	55.7	Low	62.8	Low	146 Å²	146	83.1 Å²	83.1	76%	0.764	45%	0.451	S	S	*	.	H	α-helix	trans	-68.2	-44.4	177.6	-72.7	172.9	0	0	0	111.2	D673 S678 S679	D673-L675 VanDerWaalsContact C-N 3.26Å; D673-L675 PolarHBondContact O-N 3.39Å; D673-L675 VanDerWaalsContact O-N 3.14Å; L675-S678 PolarHBondContact O-N 3.11Å; L675-S678 PolarHBondContact O-OG 3.5Å; L675-S679 PolarHBondContact O-N 2.86Å
676	E	61.6	Low	64.4	Low	101 Å²	101	83.9 Å²	83.9	47%	0.472	45%	0.453	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.4	-65.3	-173.6	156.2	0	0	111	Y672 D673 S678 S679 L680	Y672-E676 HydrophobicContact CD1-CB 4.34Å; Y672-E676 WeakPolarHBondContact CD1-OE2 3.49Å; D673-E676 HydrophobicContact CB-CG 4.44Å; D673-E676 PolarHBondContact O-N 3.42Å; E676-S678 VanDerWaalsContact C-N 3.25Å; E676-S678 PolarHBondContact O-N 3.32Å; E676-S679 PolarHBondContact O-N 3.06Å; E676-L680 VanDerWaalsContact O-CB 3.25Å; E676-L680 WeakPolarHBondContact O-CB 3.28Å; E676-L680 VanDerWaalsContact O-CG 3.22Å; E676-L680 WeakPolarHBondContact O-CG 3.47Å; E676-L680 PolarHBondContact O-N 3.47Å
677	K	56.4	Low	66.2	Low	45 Å²	45	82.8 Å²	82.8	20%	0.196	45%	0.448	C	S	.	.	H	α-helix	trans	-51	-45.9	170	-94.9	-169.6	173.1	-169.7	0	111.3	L669 D673 M681	L669-K677 HydrophobicContact CB-CD 4.46Å; L669-K677 HydrophobicContact CB-CG 4.04Å; L669-K677 WeakPolarHBondContact O-CE 3.45Å; D673-K677 PolarHBondContact O-N 2.91Å; K677-M681 WeakPolarHBondContact O-CB 3.49Å; K677-M681 VanDerWaalsContact O-CG 3.26Å; K677-M681 WeakPolarHBondContact O-CG 3.38Å; K677-M681 PolarHBondContact O-N 2.88Å
678	S	66.8	Low	67.7	Low	64 Å²	64	80.3 Å²	80.3	45%	0.448	44%	0.435	S	S	.	.	H	α-helix	trans	-68.2	-40.4	-178.4	78.3	0	0	0	0	113.1	E674 L675 E676 S682	E674-S678 WeakPolarHBondContact O-CB 3.38Å; E674-S678 PolarHBondContact O-N 3.21Å; L675-S678 PolarHBondContact O-N 3.11Å; L675-S678 PolarHBondContact O-OG 3.5Å; E676-S678 VanDerWaalsContact C-N 3.25Å; E676-S678 PolarHBondContact O-N 3.32Å; S678-S682 WeakPolarHBondContact O-CB 3.26Å; S678-S682 PolarHBondContact O-N 3.4Å
679	S	70.7	Confident	69.4	Low	69 Å²	69	79.8 Å²	79.8	48%	0.483	42%	0.416	S	S	.	.	H	α-helix	trans	-67.5	-49.8	176.6	-174	0	0	0	0	111	L675 E676 M681 S682 Q683	L675-S679 PolarHBondContact O-N 2.86Å; E676-S679 PolarHBondContact O-N 3.06Å; S679-M681 PolarHBondContact O-N 2.95Å; S679-S682 WeakPolarHBondContact O-CA 3.45Å; S679-S682 WeakPolarHBondContact O-CB 3.29Å; S679-S682 PolarHBondContact O-N 3.25Å; S679-S682 PolarHBondContact O-OG 2.87Å; S679-Q683 PolarHBondContact O-N 2.78Å
680	L	65.2	Low	71.3	Confident	49 Å²	49	79.6 Å²	79.6	26%	0.257	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-42	177.4	-68.9	171.1	0	0	0	111.8	L669 Y672 E676 S682 Q683 K684	L669-L680 HydrophobicContact CD2-CB 4Å; L669-L680 HydrophobicContact CD2-CD1 3.89Å; Y672-L680 HydrophobicContact CD1-CD1 3.67Å; Y672-L680 HydrophobicContact CD2-CD1 4.34Å; Y672-L680 HydrophobicContact CE1-CD1 3.81Å; Y672-L680 HydrophobicContact CE2-CD1 4.46Å; Y672-L680 HydrophobicContact CG-CD1 3.95Å; E676-L680 VanDerWaalsContact O-CB 3.25Å; E676-L680 WeakPolarHBondContact O-CB 3.28Å; E676-L680 VanDerWaalsContact O-CG 3.22Å; E676-L680 WeakPolarHBondContact O-CG 3.47Å; E676-L680 PolarHBondContact O-N 3.47Å; L680-S682 VanDerWaalsContact C-N 3.29Å; L680-S682 PolarHBondContact O-N 3.12Å; L680-Q683 PolarHBondContact O-N 2.7Å; L680-K684 WeakPolarHBondContact O-CB 3.44Å; L680-K684 WeakPolarHBondContact O-CG 3.47Å; L680-K684 PolarHBondContact O-N 3.08Å
681	M	62.3	Low	73.2	Confident	42 Å²	42	72.6 Å²	72.6	21%	0.207	38%	0.384	C	S	.	.	H	α-helix	trans	-62.3	-38.1	171.6	-83	-154.4	-88	0	0	111.5	I665 L669 K677 S679 N685	I665-M681 HydrophobicContact CG2-CG 4.38Å; L669-M681 HydrophobicContact CD1-CG 3.49Å; L669-M681 VanDerWaalsContact CD1-CG 3.49Å; K677-M681 WeakPolarHBondContact O-CB 3.49Å; K677-M681 VanDerWaalsContact O-CG 3.26Å; K677-M681 WeakPolarHBondContact O-CG 3.38Å; K677-M681 PolarHBondContact O-N 2.88Å; S679-M681 PolarHBondContact O-N 2.95Å; M681-N685 WeakPolarHBondContact O-CB 3.33Å; M681-N685 PolarHBondContact O-N 3.16Å; M681-N685 PolarHBondContact O-ND2 3.08Å
682	S	78	Confident	74.4	Confident	45 Å²	45	75.9 Å²	75.9	32%	0.315	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-45.1	176.9	85	0	0	0	0	111.1	S678 S679 L680 N685 F686	S678-S682 WeakPolarHBondContact O-CB 3.26Å; S678-S682 PolarHBondContact O-N 3.4Å; S679-S682 WeakPolarHBondContact O-CA 3.45Å; S679-S682 WeakPolarHBondContact O-CB 3.29Å; S679-S682 PolarHBondContact O-N 3.25Å; S679-S682 PolarHBondContact O-OG 2.87Å; L680-S682 VanDerWaalsContact C-N 3.29Å; L680-S682 PolarHBondContact O-N 3.12Å; S682-N685 WeakPolarHBondContact O-CB 3.25Å; S682-N685 PolarHBondContact O-N 3.27Å; S682-F686 WeakPolarHBondContact O-CD2 3.43Å; S682-F686 PolarHBondContact O-N 3Å
683	Q	76.4	Confident	76.2	Confident	97 Å²	97	70.1 Å²	70.1	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-49.8	178.8	-175.4	178.3	-10.4	0	0	111.7	S679 L680 N685 F686 E687	S679-Q683 PolarHBondContact O-N 2.78Å; L680-Q683 PolarHBondContact O-N 2.7Å; Q683-N685 PolarHBondContact O-N 2.6Å; Q683-F686 CarbonylContact O-C 3.59Å; Q683-F686 WeakPolarHBondContact O-CA 3.45Å; Q683-F686 WeakPolarHBondContact O-CB 3.43Å; Q683-F686 PolarHBondContact O-N 3.33Å; Q683-E687 WeakPolarHBondContact CG-OE1 3.35Å; Q683-E687 PolarHBondContact NE2-OE1 3.09Å; Q683-E687 PolarHBondContact O-N 3.14Å
684	K	81.1	Confident	77.1	Confident	78 Å²	78	68.8 Å²	68.8	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-56.8	-36.2	175.1	-75.4	-174.9	178.5	-178.6	0	112.1	I665 L680 E687 K688	I665-K684 HydrophobicContact CG2-CD 3.99Å; L680-K684 WeakPolarHBondContact O-CB 3.44Å; L680-K684 WeakPolarHBondContact O-CG 3.47Å; L680-K684 PolarHBondContact O-N 3.08Å; K684-E687 PolarHBondContact O-N 3.05Å; K684-K688 WeakPolarHBondContact O-CB 3.44Å; K684-K688 PolarHBondContact O-N 3.12Å
685	N	85.4	Confident	78.2	Confident	34 Å²	34	63.1 Å²	63.1	18%	0.182	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-38.2	173.9	-79	-53.9	0	0	0	112.5	R651 M681 S682 Q683 R689	R651-N685 PolarHBondContact NH2-ND2 2.97Å; M681-N685 WeakPolarHBondContact O-CB 3.33Å; M681-N685 PolarHBondContact O-N 3.16Å; M681-N685 PolarHBondContact O-ND2 3.08Å; S682-N685 WeakPolarHBondContact O-CB 3.25Å; S682-N685 PolarHBondContact O-N 3.27Å; Q683-N685 PolarHBondContact O-N 2.6Å; N685-R689 VanDerWaalsContact O-CB 3.24Å; N685-R689 WeakPolarHBondContact O-CB 3.48Å; N685-R689 PolarHBondContact O-N 2.96Å; N685-R689 VanDerWaalsContact O-N 3.17Å
686	F	86.6	Confident	79.8	Confident	50 Å²	50	56.2 Å²	56.2	22%	0.219	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-40.9	174.6	-77.3	-68.4	0	0	0	111.5	S682 Q683 R689 F690 I697 L701	S682-F686 WeakPolarHBondContact O-CD2 3.43Å; S682-F686 PolarHBondContact O-N 3Å; Q683-F686 CarbonylContact O-C 3.59Å; Q683-F686 WeakPolarHBondContact O-CA 3.45Å; Q683-F686 WeakPolarHBondContact O-CB 3.43Å; Q683-F686 PolarHBondContact O-N 3.33Å; F686-R689 PolarHBondContact O-N 3.44Å; F686-R689 VanDerWaalsContact O-N 3.11Å; F686-F690 AromaticContact CD1-CD2 3.86Å; F686-F690 HydrophobicContact CD1-CD2 3.86Å; F686-F690 AromaticContact CD1-CE2 3.79Å; F686-F690 HydrophobicContact CD1-CE2 3.79Å; F686-F690 HydrophobicContact CE1-CE2 4.2Å; F686-F690 PolarHBondContact O-N 3.04Å; F686-I697 HydrophobicContact CB-CD1 4.16Å; F686-I697 HydrophobicContact CB-CG1 4.35Å; F686-I697 HydrophobicContact CB-CG2 3.9Å; F686-I697 HydrophobicContact CD1-CG2 4.22Å; F686-I697 HydrophobicContact CG-CG2 4.03Å; F686-L701 HydrophobicContact CE1-CD2 3.89Å; F686-L701 HydrophobicContact CZ-CD2 3.77Å
687	E	87.9	Confident	81.1	Confident	68 Å²	68	52.4 Å²	52.4	32%	0.318	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-45.6	177.4	-70.9	169.9	-174.4	0	0	111.8	Q683 K684 R689 G691 I697	Q683-E687 WeakPolarHBondContact CG-OE1 3.35Å; Q683-E687 PolarHBondContact NE2-OE1 3.09Å; Q683-E687 PolarHBondContact O-N 3.14Å; K684-E687 PolarHBondContact O-N 3.05Å; E687-R689 PolarHBondContact O-N 2.99Å; E687-G691 WeakPolarHBondContact CA-O 3.39Å; E687-G691 VanDerWaalsContact O-CA 3.25Å; E687-G691 WeakPolarHBondContact O-CA 3.26Å; E687-G691 PolarHBondContact O-N 2.9Å; E687-I697 HydrophobicContact CG-CD1 4.13Å
688	K	89.6	Confident	82.4	Confident	79 Å²	79	52.6 Å²	52.6	34%	0.343	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-24.1	172.6	-175	174.7	-179.6	173.2	0	112.5	D661 K684 T732 E733	D661-K688 IonicContact OD2-NZ 3.54Å; D661-K688 PolarHBondContact OD2-NZ 3.41Å; K684-K688 WeakPolarHBondContact O-CB 3.44Å; K684-K688 PolarHBondContact O-N 3.12Å; K688-T732 CarbonylContact O-C 3.56Å; K688-T732 WeakPolarHBondContact O-CA 3.32Å; K688-E733 PolarHBondContact O-N 2.81Å
689	R	91	Very high	83.4	Confident	47 Å²	47	49.9 Å²	49.9	18%	0.177	27%	0.269	C	S	.	.	H	α-helix	trans	-90.7	-54.2	-178.1	-171.5	157.9	-176	-158.2	-3.6	112	Y582 G583 N685 F686 E687 E733 I738	Y582-R689 PolarHBondContact O-NH2 3.36Å; G583-R689 PolarHBondContact O-NH2 2.84Å; N685-R689 VanDerWaalsContact O-CB 3.24Å; N685-R689 WeakPolarHBondContact O-CB 3.48Å; N685-R689 PolarHBondContact O-N 2.96Å; N685-R689 VanDerWaalsContact O-N 3.17Å; F686-R689 PolarHBondContact O-N 3.44Å; F686-R689 VanDerWaalsContact O-N 3.11Å; E687-R689 PolarHBondContact O-N 2.99Å; R689-E733 WeakPolarHBondContact CD-OE2 3.28Å; R689-E733 HydrophobicContact CG-CB 4.26Å; R689-E733 HydrophobicContact CG-CG 4.44Å; R689-E733 WeakPolarHBondContact CG-OE2 3.29Å; R689-E733 IonicContact NE-OE2 3.61Å; R689-E733 PolarHBondContact NE-OE2 3.41Å; R689-E733 PolarHBondContact O-N 3.02Å; R689-I738 HydrophobicContact CG-CD1 4.11Å; R689-I738 HydrophobicContact CG-CG2 4.32Å; R689-I738 WeakPolarHBondContact O-CD1 3.41Å
690	F	91.4	Very high	84.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-104.4	-18.6	-168.8	-66.5	-62.4	0	0	0	114.2	R486 Y582 Y584 F686 F696 I697 T700 W734 I738	R486-F690 PolarHBondContact NH1-O 3.46Å; Y582-F690 HydrophobicContact CD1-CE1 4.06Å; Y582-F690 AromaticContact CG-CE1 3.99Å; Y582-F690 HydrophobicContact CG-CE1 3.99Å; Y582-F690 HydrophobicContact CG-CZ 4.42Å; Y584-F690 HydrophobicContact CE2-CZ 4.4Å; F686-F690 AromaticContact CD1-CD2 3.86Å; F686-F690 HydrophobicContact CD1-CD2 3.86Å; F686-F690 AromaticContact CD1-CE2 3.79Å; F686-F690 HydrophobicContact CD1-CE2 3.79Å; F686-F690 HydrophobicContact CE1-CE2 4.2Å; F686-F690 PolarHBondContact O-N 3.04Å; F690-F696 HydrophobicContact CB-CD1 4.03Å; F690-F696 HydrophobicContact CB-CE1 3.82Å; F690-F696 AromaticContact CD1-CE1 3.82Å; F690-F696 HydrophobicContact CD1-CE1 3.82Å; F690-F696 HydrophobicContact CG-CE1 4.11Å; F690-I697 HydrophobicContact CB-CG1 4.2Å; F690-T700 HydrophobicContact CD1-CG2 4.05Å; F690-T700 HydrophobicContact CD2-CG2 4.34Å; F690-T700 HydrophobicContact CE1-CG2 3.96Å; F690-T700 HydrophobicContact CE2-CG2 4.25Å; F690-T700 HydrophobicContact CG-CG2 4.24Å; F690-T700 HydrophobicContact CZ-CG2 4.06Å; F690-W734 PolarHBondContact O-NE1 3.29Å; F690-I738 HydrophobicContact CD1-CD1 3.49Å; F690-I738 VanDerWaalsContact CD1-CD1 3.49Å; F690-I738 HydrophobicContact CE1-CD1 3.69Å; F690-I738 HydrophobicContact CG-CD1 4.43Å
691	G	89.4	Confident	85	Confident	7 Å²	7	49.4 Å²	49.4	7%	0.072	26%	0.261	C	S	.	.			trans	101	-174.1	-172.5	0	0	0	0	0	112.9	E687 S693 I697	E687-G691 WeakPolarHBondContact CA-O 3.39Å; E687-G691 VanDerWaalsContact O-CA 3.25Å; E687-G691 WeakPolarHBondContact O-CA 3.26Å; E687-G691 PolarHBondContact O-N 2.9Å; G691-S693 PolarHBondContact O-N 2.88Å; G691-I697 WeakPolarHBondContact O-CD1 3.35Å
692	M	86.9	Confident	85.9	Confident	153 Å²	153	50.6 Å²	50.6	75%	0.754	27%	0.267	S	S	*	.	S	Bend	trans	-86.2	-1.7	-166.4	-62.7	-178.6	-72.5	0	0	115.4	P694	M692-P694 VanDerWaalsContact O-CD 3.23Å; M692-P694 WeakPolarHBondContact O-CD 3.27Å
693	S	88.8	Confident	85.7	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.014	27%	0.268	C	S	.	.			trans	-77.1	113.3	-177.6	167.1	0	0	0	0	111.3	G691 F696 I697 E719	G691-S693 PolarHBondContact O-N 2.88Å; S693-F696 PolarHBondContact O-N 2.88Å; S693-F696 WeakPolarHBondContact OG-CB 3.42Å; S693-F696 PolarHBondContact OG-N 2.91Å; S693-F696 VanDerWaalsContact OG-N 3.07Å; S693-I697 VanDerWaalsContact O-CG1 3.3Å; S693-I697 WeakPolarHBondContact O-CG1 3.3Å; S693-I697 PolarHBondContact O-N 2.93Å; S693-E719 WeakPolarHBondContact CB-OE1 3.43Å; S693-E719 PolarHBondContact OG-OE1 3Å
694	P	84.7	Confident	85.9	Confident	92 Å²	92	54 Å²	54	60%	0.597	28%	0.283	S	S	*	.	H	α-helix	trans	-69	-35.4	-179.8	27.6	-33.7	0	0	0	111.9	M692 I697 A698	M692-P694 VanDerWaalsContact O-CD 3.23Å; M692-P694 WeakPolarHBondContact O-CD 3.27Å; P694-I697 PolarHBondContact O-N 3.42Å; P694-A698 WeakPolarHBondContact O-CB 3.29Å; P694-A698 PolarHBondContact O-N 2.73Å
695	V	86.6	Confident	86.1	Confident	57 Å²	57	51 Å²	51	35%	0.345	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-45.7	176.8	-179.5	0	0	0	0	110	V490 A698 S699 L716 E719	V490-V695 HydrophobicContact CG1-CG1 4.28Å; V695-A698 PolarHBondContact O-N 3.32Å; V695-S699 PolarHBondContact O-N 3.25Å; V695-L716 HydrophobicContact CG1-CD2 4.48Å; V695-E719 HydrophobicContact CB-CG 3.86Å; V695-E719 HydrophobicContact CG1-CG 4.31Å; V695-E719 HydrophobicContact CG2-CG 3.99Å
696	F	89.8	Confident	85.9	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-46	176.2	-178.1	-103.7	0	0	0	111.6	R486 A489 V490 Y582 F690 S693 A698 S699 T700 V723 W734	R486-F696 HydrophobicContact CB-CE2 4.27Å; R486-F696 HydrophobicContact CG-CE2 4.11Å; R486-F696 HydrophobicContact CG-CZ 4.1Å; A489-F696 HydrophobicContact CB-CD2 3.61Å; A489-F696 HydrophobicContact CB-CE2 3.37Å; V490-F696 HydrophobicContact CG2-CB 4.29Å; V490-F696 HydrophobicContact CG2-CD2 4.38Å; Y582-F696 HydrophobicContact CE1-CE2 4.44Å; Y582-F696 AromaticContact CE1-CZ 3.89Å; Y582-F696 HydrophobicContact CE1-CZ 3.89Å; F690-F696 HydrophobicContact CB-CD1 4.03Å; F690-F696 HydrophobicContact CB-CE1 3.82Å; F690-F696 AromaticContact CD1-CE1 3.82Å; F690-F696 HydrophobicContact CD1-CE1 3.82Å; F690-F696 HydrophobicContact CG-CE1 4.11Å; S693-F696 PolarHBondContact O-N 2.88Å; S693-F696 WeakPolarHBondContact OG-CB 3.42Å; S693-F696 PolarHBondContact OG-N 2.91Å; S693-F696 VanDerWaalsContact OG-N 3.07Å; F696-A698 VanDerWaalsContact C-N 3.32Å; F696-A698 PolarHBondContact O-N 3.02Å; F696-S699 WeakPolarHBondContact O-CB 3.32Å; F696-S699 PolarHBondContact O-N 3.14Å; F696-S699 VanDerWaalsContact O-N 3.11Å; F696-S699 PolarHBondContact O-OG 2.97Å; F696-T700 HydrophobicContact CD1-CG2 4.4Å; F696-T700 HydrophobicContact CE1-CG2 3.96Å; F696-T700 HydrophobicContact CZ-CG2 4.03Å; F696-T700 WeakPolarHBondContact O-CG2 3.44Å; F696-T700 PolarHBondContact O-N 3.47Å; F696-T700 VanDerWaalsContact O-N 3.17Å; F696-V723 HydrophobicContact CB-CG1 4.17Å; F696-W734 AromaticContact CE1-CZ2 3.68Å; F696-W734 HydrophobicContact CE1-CZ2 3.68Å; F696-W734 HydrophobicContact CZ-CH2 4.1Å; F696-W734 AromaticContact CZ-CZ2 3.51Å; F696-W734 HydrophobicContact CZ-CZ2 3.51Å
697	I	87.4	Confident	85.7	Confident	22 Å²	22	51 Å²	51	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-48.3	176	-70.5	165.7	0	0	0	110.6	F686 E687 F690 G691 S693 P694 S699 T700	F686-I697 HydrophobicContact CB-CD1 4.16Å; F686-I697 HydrophobicContact CB-CG1 4.35Å; F686-I697 HydrophobicContact CB-CG2 3.9Å; F686-I697 HydrophobicContact CD1-CG2 4.22Å; F686-I697 HydrophobicContact CG-CG2 4.03Å; E687-I697 HydrophobicContact CG-CD1 4.13Å; F690-I697 HydrophobicContact CB-CG1 4.2Å; G691-I697 WeakPolarHBondContact O-CD1 3.35Å; S693-I697 VanDerWaalsContact O-CG1 3.3Å; S693-I697 WeakPolarHBondContact O-CG1 3.3Å; S693-I697 PolarHBondContact O-N 2.93Å; P694-I697 PolarHBondContact O-N 3.42Å; I697-S699 VanDerWaalsContact C-N 3.3Å; I697-S699 PolarHBondContact O-N 2.89Å; I697-T700 PolarHBondContact O-N 3.35Å; I697-T700 VanDerWaalsContact O-N 3.1Å; I697-T700 PolarHBondContact O-OG1 2.88Å
698	A	85.3	Confident	85	Confident	49 Å²	49	51.8 Å²	51.8	41%	0.405	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-41.2	177.7	0	0	0	0	0	111.9	P694 V695 F696 T700 L701	P694-A698 WeakPolarHBondContact O-CB 3.29Å; P694-A698 PolarHBondContact O-N 2.73Å; V695-A698 PolarHBondContact O-N 3.32Å; F696-A698 VanDerWaalsContact C-N 3.32Å; F696-A698 PolarHBondContact O-N 3.02Å; A698-T700 PolarHBondContact O-N 3.47Å; A698-L701 WeakPolarHBondContact O-CB 3.46Å; A698-L701 PolarHBondContact O-N 3.17Å; A698-L701 VanDerWaalsContact O-N 3.07Å
699	S	86.8	Confident	83.6	Confident	7 Å²	7	58 Å²	58	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-58.6	-33.9	176.8	82.1	0	0	0	0	112.7	A489 N493 V695 F696 I697 L701 M702	A489-S699 WeakPolarHBondContact O-CB 3.24Å; N493-S699 PolarHBondContact ND2-O 2.78Å; V695-S699 PolarHBondContact O-N 3.25Å; F696-S699 WeakPolarHBondContact O-CB 3.32Å; F696-S699 PolarHBondContact O-N 3.14Å; F696-S699 VanDerWaalsContact O-N 3.11Å; F696-S699 PolarHBondContact O-OG 2.97Å; I697-S699 VanDerWaalsContact C-N 3.3Å; I697-S699 PolarHBondContact O-N 2.89Å; S699-L701 PolarHBondContact O-N 3.37Å; S699-M702 PolarHBondContact O-N 3.26Å
700	T	86.4	Confident	82	Confident	11 Å²	11	60.8 Å²	60.8	7%	0.067	36%	0.355	C	S	.	.	H	α-helix	trans	-69.3	-21.1	179.2	73.1	0	0	0	0	113.7	Y582 F690 F696 I697 A698	Y582-T700 HydrophobicContact CD2-CG2 3.99Å; Y582-T700 HydrophobicContact CE1-CG2 4.45Å; Y582-T700 HydrophobicContact CE2-CG2 3.7Å; Y582-T700 HydrophobicContact CG-CG2 4.46Å; F690-T700 HydrophobicContact CD1-CG2 4.05Å; F690-T700 HydrophobicContact CD2-CG2 4.34Å; F690-T700 HydrophobicContact CE1-CG2 3.96Å; F690-T700 HydrophobicContact CE2-CG2 4.25Å; F690-T700 HydrophobicContact CG-CG2 4.24Å; F690-T700 HydrophobicContact CZ-CG2 4.06Å; F696-T700 HydrophobicContact CD1-CG2 4.4Å; F696-T700 HydrophobicContact CE1-CG2 3.96Å; F696-T700 HydrophobicContact CZ-CG2 4.03Å; F696-T700 WeakPolarHBondContact O-CG2 3.44Å; F696-T700 PolarHBondContact O-N 3.47Å; F696-T700 VanDerWaalsContact O-N 3.17Å; I697-T700 PolarHBondContact O-N 3.35Å; I697-T700 VanDerWaalsContact O-N 3.1Å; I697-T700 PolarHBondContact O-OG1 2.88Å; A698-T700 PolarHBondContact O-N 3.47Å
701	L	83.2	Confident	80.8	Confident	97 Å²	97	63.2 Å²	63.2	51%	0.508	37%	0.37	S	S	.	.	H	α-helix	trans	-86.7	-11.4	179	-58.4	175.9	0	0	0	112.4	F686 A698 S699 E703	F686-L701 HydrophobicContact CE1-CD2 3.89Å; F686-L701 HydrophobicContact CZ-CD2 3.77Å; A698-L701 WeakPolarHBondContact O-CB 3.46Å; A698-L701 PolarHBondContact O-N 3.17Å; A698-L701 VanDerWaalsContact O-N 3.07Å; S699-L701 PolarHBondContact O-N 3.37Å; L701-E703 PolarHBondContact O-N 2.82Å
702	M	82.2	Confident	80	Confident	67 Å²	67	67.5 Å²	67.5	33%	0.33	39%	0.392	S	S	.	.			trans	-86.6	93.5	-179.6	-61.5	178.5	71.4	0	0	110.8	S699 N704 G705 G706	S699-M702 PolarHBondContact O-N 3.26Å; M702-N704 VanDerWaalsContact C-N 3.33Å; M702-N704 PolarHBondContact O-N 3.22Å; M702-G705 PolarHBondContact O-N 3.06Å; M702-G706 WeakPolarHBondContact CE-O 3.48Å; M702-G706 VanDerWaalsContact SD-O 3.34Å
703	E	73.7	Confident	79.4	Confident	71 Å²	71	63.2 Å²	63.2	33%	0.332	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-36.8	-174.7	-64.8	-170.1	165.6	0	0	114.2	S647 S648 Y649 L701 G705	S647-E703 WeakPolarHBondContact CA-OE1 3.46Å; S647-E703 WeakPolarHBondContact CB-OE1 3.33Å; S647-E703 PolarHBondContact OG-OE1 3.28Å; S648-E703 PolarHBondContact N-OE1 2.85Å; Y649-E703 HydrophobicContact CD2-CG 4.49Å; Y649-E703 HydrophobicContact CE2-CG 4.35Å; L701-E703 PolarHBondContact O-N 2.82Å; E703-G705 VanDerWaalsContact C-N 3.27Å
704	N	79.3	Confident	78.9	Confident	143 Å²	143	66.6 Å²	66.6	77%	0.765	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	2.2	178.7	-65.2	-31	0	0	0	112.8	M702	M702-N704 VanDerWaalsContact C-N 3.33Å; M702-N704 PolarHBondContact O-N 3.22Å
705	G	85.2	Confident	78.9	Confident	15 Å²	15	65 Å²	65	16%	0.155	39%	0.389	C	S	.	.			trans	68.8	-164.5	-172.1	0	0	0	0	0	113.6	N493 M702 E703	N493-G705 CarbonylContact O-C 3.55Å; N493-G705 WeakPolarHBondContact O-CA 3.38Å; M702-G705 PolarHBondContact O-N 3.06Å; E703-G705 VanDerWaalsContact C-N 3.27Å
706	G	82.5	Confident	79	Confident	25 Å²	25	63 Å²	63	26%	0.258	38%	0.376	S	S	.	.			trans	92.4	173.4	-177.2	0	0	0	0	0	113.9	N493 M702	N493-G706 VanDerWaalsContact CB-O 3.32Å; N493-G706 WeakPolarHBondContact CB-O 3.4Å; N493-G706 PolarHBondContact ND2-O 3.15Å; N493-G706 PolarHBondContact O-N 3.01Å; M702-G706 WeakPolarHBondContact CE-O 3.48Å; M702-G706 VanDerWaalsContact SD-O 3.34Å
707	L	81.6	Confident	78.9	Confident	59 Å²	59	66 Å²	66	31%	0.309	39%	0.392	S	S	.	.			trans	-116.3	150.4	179.5	-63.4	177.1	0	0	0	110.5	V490 L491 N493 L716	V490-L707 VanDerWaalsContact O-CD2 3.26Å; V490-L707 WeakPolarHBondContact O-CD2 3.48Å; L491-L707 VanDerWaalsContact O-CD1 3.31Å; L491-L707 WeakPolarHBondContact O-CD1 3.32Å; N493-L707 HydrophobicContact CB-CD2 4.19Å; L707-L716 HydrophobicContact CD1-CD1 3.79Å
708	P	72.4	Confident	79.1	Confident	84 Å²	84	72.6 Å²	72.6	55%	0.545	42%	0.419	S	S	.	.			trans	-58.5	143.2	169.9	-21.5	32.9	0	0	0	112.1	A710 T711	P708-A710 PolarHBondContact O-N 3.07Å; P708-A710 VanDerWaalsContact O-N 3.13Å; P708-T711 PolarHBondContact O-OG1 3.08Å
709	E	61.8	Low	79.4	Confident	210 Å²	210	72.1 Å²	72.1	98%	0.981	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.6	-173.3	-66.6	-174.7	158.6	0	0	114.3	T711	E709-T711 PolarHBondContact O-N 2.92Å
710	A	56.3	Low	79.7	Confident	104 Å²	104	71.8 Å²	71.8	86%	0.86	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	22.9	-173.6	0	0	0	0	0	115	P708	P708-A710 PolarHBondContact O-N 3.07Å; P708-A710 VanDerWaalsContact O-N 3.13Å
711	T	65.9	Low	80	Confident	51 Å²	51	74.4 Å²	74.4	31%	0.313	42%	0.42	S	S	.	.			trans	-95.4	119.9	-169.8	-32.7	0	0	0	0	113.2	P708 E709 L716	P708-T711 PolarHBondContact O-OG1 3.08Å; E709-T711 PolarHBondContact O-N 2.92Å; T711-L716 HydrophobicContact CG2-CD1 3.82Å; T711-L716 HydrophobicContact CG2-CD2 3.42Å; T711-L716 VanDerWaalsContact CG2-CD2 3.42Å; T711-L716 HydrophobicContact CG2-CG 3.49Å; T711-L716 VanDerWaalsContact CG2-CG 3.49Å
712	N	74.3	Confident	80.5	Confident	98 Å²	98	73.9 Å²	73.9	52%	0.524	41%	0.414	S	S	.	.			trans	-72.7	130.4	175.7	-174.3	-20.5	0	0	0	110.8	S714 S715 L716	N712-S714 VanDerWaalsContact C-N 3.26Å; N712-S714 PolarHBondContact O-N 2.87Å; N712-S714 PolarHBondContact OD1-N 3.03Å; N712-S715 PolarHBondContact O-N 3.38Å; N712-S715 VanDerWaalsContact O-N 3.16Å; N712-S715 PolarHBondContact O-OG 3.22Å; N712-L716 PolarHBondContact O-N 3.47Å; N712-L716 VanDerWaalsContact O-N 3.08Å
713	T	74.1	Confident	81.1	Confident	63 Å²	63	70.7 Å²	70.7	39%	0.387	40%	0.399	S	S	.	.	H	α-helix	trans	-56.6	-39.5	179.1	50.3	0	0	0	0	112.2	S715 L716 I717	T713-S715 PolarHBondContact O-N 3.32Å; T713-L716 WeakPolarHBondContact O-CB 3.38Å; T713-L716 PolarHBondContact O-N 2.93Å; T713-I717 WeakPolarHBondContact O-CG1 3.14Å; T713-I717 PolarHBondContact O-N 2.9Å; T713-I717 VanDerWaalsContact O-N 3.09Å
714	S	78.1	Confident	82.1	Confident	73 Å²	73	67.4 Å²	67.4	51%	0.51	38%	0.383	S	S	.	.	H	α-helix	trans	-66.6	-36.6	179	-67.7	0	0	0	0	113	N712 K718	N712-S714 VanDerWaalsContact C-N 3.26Å; N712-S714 PolarHBondContact O-N 2.87Å; N712-S714 PolarHBondContact OD1-N 3.03Å; S714-K718 PolarHBondContact O-N 3.38Å
715	S	85	Confident	82.8	Confident	59 Å²	59	62 Å²	62	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-73.1	-35.2	176.3	61.8	0	0	0	0	111.4	N712 T713 I717 K718 E719	N712-S715 PolarHBondContact O-N 3.38Å; N712-S715 VanDerWaalsContact O-N 3.16Å; N712-S715 PolarHBondContact O-OG 3.22Å; T713-S715 PolarHBondContact O-N 3.32Å; S715-I717 PolarHBondContact O-N 3.5Å; S715-K718 PolarHBondContact O-N 3.44Å; S715-E719 WeakPolarHBondContact O-CB 3.37Å; S715-E719 PolarHBondContact O-N 2.96Å
716	L	88.1	Confident	83	Confident	14 Å²	14	62.4 Å²	62.4	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-39.9	174.8	-74.3	178.3	0	0	0	112.9	V490 L491 V695 L707 T711 N712 T713 E719 A720	V490-L716 HydrophobicContact CG1-CD2 3.87Å; V490-L716 WeakPolarHBondContact O-CD2 3.48Å; L491-L716 HydrophobicContact CD2-CB 4.01Å; V695-L716 HydrophobicContact CG1-CD2 4.48Å; L707-L716 HydrophobicContact CD1-CD1 3.79Å; T711-L716 HydrophobicContact CG2-CD1 3.82Å; T711-L716 HydrophobicContact CG2-CD2 3.42Å; T711-L716 VanDerWaalsContact CG2-CD2 3.42Å; T711-L716 HydrophobicContact CG2-CG 3.49Å; T711-L716 VanDerWaalsContact CG2-CG 3.49Å; N712-L716 PolarHBondContact O-N 3.47Å; N712-L716 VanDerWaalsContact O-N 3.08Å; T713-L716 WeakPolarHBondContact O-CB 3.38Å; T713-L716 PolarHBondContact O-N 2.93Å; L716-E719 PolarHBondContact O-N 3.33Å; L716-A720 WeakPolarHBondContact O-CB 3.47Å; L716-A720 PolarHBondContact O-N 3.49Å
717	I	88.6	Confident	83.3	Confident	64 Å²	64	62.5 Å²	62.5	33%	0.328	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-43.3	177.8	-67.1	170.1	0	0	0	110.7	T713 S715 E719 A720 I721	T713-I717 WeakPolarHBondContact O-CG1 3.14Å; T713-I717 PolarHBondContact O-N 2.9Å; T713-I717 VanDerWaalsContact O-N 3.09Å; S715-I717 PolarHBondContact O-N 3.5Å; I717-E719 VanDerWaalsContact C-N 3.33Å; I717-E719 PolarHBondContact O-N 3.4Å; I717-A720 WeakPolarHBondContact O-CB 3.28Å; I717-A720 PolarHBondContact O-N 2.98Å; I717-I721 HydrophobicContact CG2-CD1 4.15Å; I717-I721 WeakPolarHBondContact O-CG1 3.44Å; I717-I721 PolarHBondContact O-N 3.05Å
718	K	90.5	Very high	83.7	Confident	160 Å²	160	60.4 Å²	60.4	70%	0.696	35%	0.346	S	S	*	.	H	α-helix	trans	-60.1	-44.4	175.8	-71.9	-178.9	179.9	-178.2	0	111.7	S714 S715 I721 H722	S714-K718 PolarHBondContact O-N 3.38Å; S715-K718 PolarHBondContact O-N 3.44Å; K718-I721 PolarHBondContact O-N 3.27Å; K718-H722 PolarHBondContact O-N 3.48Å
719	E	91.9	Very high	84.5	Confident	39 Å²	39	57.6 Å²	57.6	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-66	-39.5	176.4	-170.1	60.6	-149.7	0	0	111.8	V490 S693 V695 S715 L716 I717 I721 H722 V723	V490-E719 HydrophobicContact CG1-CB 3.98Å; V490-E719 HydrophobicContact CG1-CG 3.96Å; V490-E719 HydrophobicContact CG2-CG 4.42Å; S693-E719 WeakPolarHBondContact CB-OE1 3.43Å; S693-E719 PolarHBondContact OG-OE1 3Å; V695-E719 HydrophobicContact CB-CG 3.86Å; V695-E719 HydrophobicContact CG1-CG 4.31Å; V695-E719 HydrophobicContact CG2-CG 3.99Å; S715-E719 WeakPolarHBondContact O-CB 3.37Å; S715-E719 PolarHBondContact O-N 2.96Å; L716-E719 PolarHBondContact O-N 3.33Å; I717-E719 VanDerWaalsContact C-N 3.33Å; I717-E719 PolarHBondContact O-N 3.4Å; E719-I721 VanDerWaalsContact C-N 3.3Å; E719-I721 PolarHBondContact O-N 3.28Å; E719-H722 WeakPolarHBondContact O-CB 3.28Å; E719-H722 PolarHBondContact O-N 3Å; E719-H722 VanDerWaalsContact O-N 3.13Å; E719-H722 IonicContact OE1-CD2 2.76Å; E719-V723 PolarHBondContact O-N 3.17Å
720	A	93.4	Very high	85.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-37.5	176	0	0	0	0	0	112	I441 V487 V490 L491 L716 I717 V723	I441-A720 HydrophobicContact CD1-CB 3.55Å; V487-A720 HydrophobicContact CG1-CB 4.33Å; V490-A720 HydrophobicContact CG1-CB 4.28Å; L491-A720 HydrophobicContact CD1-CB 4.31Å; L491-A720 HydrophobicContact CD2-CB 3.86Å; L491-A720 HydrophobicContact CG-CB 4Å; L716-A720 WeakPolarHBondContact O-CB 3.47Å; L716-A720 PolarHBondContact O-N 3.49Å; I717-A720 WeakPolarHBondContact O-CB 3.28Å; I717-A720 PolarHBondContact O-N 2.98Å; A720-V723 VanDerWaalsContact O-CG2 3.23Å; A720-V723 WeakPolarHBondContact O-CG2 3.45Å
721	I	93.2	Very high	87.2	Confident	67 Å²	67	57 Å²	57	34%	0.344	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-41.9	172.8	-66.6	167.1	0	0	0	110.6	I441 I717 K718 E719 V723 I724	I441-I721 HydrophobicContact CD1-CG1 4.05Å; I441-I721 HydrophobicContact CG1-CG1 4.23Å; I717-I721 HydrophobicContact CG2-CD1 4.15Å; I717-I721 WeakPolarHBondContact O-CG1 3.44Å; I717-I721 PolarHBondContact O-N 3.05Å; K718-I721 PolarHBondContact O-N 3.27Å; E719-I721 VanDerWaalsContact C-N 3.3Å; E719-I721 PolarHBondContact O-N 3.28Å; I721-V723 VanDerWaalsContact C-N 3.34Å; I721-V723 PolarHBondContact O-N 3.06Å; I721-I724 WeakPolarHBondContact O-CG1 3.37Å; I721-I724 PolarHBondContact O-N 3.25Å
722	H	93.3	Very high	88.5	Confident	86 Å²	86	55.2 Å²	55.2	40%	0.398	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-43.6	177.7	174.9	59.8	0	0	0	112.2	K718 E719 I724 S725	K718-H722 PolarHBondContact O-N 3.48Å; E719-H722 WeakPolarHBondContact O-CB 3.28Å; E719-H722 PolarHBondContact O-N 3Å; E719-H722 VanDerWaalsContact O-N 3.13Å; E719-H722 IonicContact OE1-CD2 2.76Å; H722-I724 PolarHBondContact O-N 3.47Å; H722-S725 WeakPolarHBondContact O-CB 3.43Å; H722-S725 PolarHBondContact O-N 3.31Å; H722-S725 PolarHBondContact O-OG 3.39Å
723	V	94	Very high	89.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.6	-177.7	-60.1	0	0	0	0	114	R486 V490 F696 E719 A720 I721 Y728	R486-V723 HydrophobicContact CB-CB 4.24Å; R486-V723 HydrophobicContact CB-CG2 4.08Å; R486-V723 PolarHBondContact NE-O 3.31Å; R486-V723 PolarHBondContact NH2-O 3.01Å; V490-V723 HydrophobicContact CG2-CG1 4.18Å; V490-V723 HydrophobicContact CG2-CG2 4.09Å; F696-V723 HydrophobicContact CB-CG1 4.17Å; E719-V723 PolarHBondContact O-N 3.17Å; A720-V723 VanDerWaalsContact O-CG2 3.23Å; A720-V723 WeakPolarHBondContact O-CG2 3.45Å; I721-V723 VanDerWaalsContact C-N 3.34Å; I721-V723 PolarHBondContact O-N 3.06Å; V723-Y728 WeakPolarHBondContact O-CD1 3.41Å
724	I	94.1	Very high	90.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	15.5	173.9	58.5	176.5	0	0	0	113.9	I441 V464 R466 E467 A483 V487 I721 H722	I441-I724 HydrophobicContact CD1-CD1 3.81Å; I441-I724 HydrophobicContact CG1-CD1 3.78Å; V464-I724 HydrophobicContact CG1-CD1 4.39Å; R466-I724 HydrophobicContact CB-CB 4.29Å; E467-I724 PolarHBondContact N-O 3.21Å; E467-I724 VanDerWaalsContact N-O 3.17Å; A483-I724 HydrophobicContact CB-CG2 4.05Å; V487-I724 HydrophobicContact CG2-CB 4.44Å; V487-I724 HydrophobicContact CG2-CG2 3.1Å; I721-I724 WeakPolarHBondContact O-CG1 3.37Å; I721-I724 PolarHBondContact O-N 3.25Å; H722-I724 PolarHBondContact O-N 3.47Å
725	S	94.1	Very high	91	Very high	29 Å²	29	47.2 Å²	47.2	20%	0.203	24%	0.238	C	C	.	.			trans	-63.7	145.1	174.1	54.4	0	0	0	0	112.2	E467 H722 G727 Y728	E467-S725 WeakPolarHBondContact OE2-CA 3.37Å; E467-S725 VanDerWaalsContact OE2-CB 3.26Å; E467-S725 WeakPolarHBondContact OE2-CB 3.2Å; H722-S725 WeakPolarHBondContact O-CB 3.43Å; H722-S725 PolarHBondContact O-N 3.31Å; H722-S725 PolarHBondContact O-OG 3.39Å; S725-G727 PolarHBondContact O-N 3.02Å; S725-G727 VanDerWaalsContact O-N 3.07Å; S725-Y728 WeakPolarHBondContact O-CD1 3.33Å; S725-Y728 PolarHBondContact O-N 2.88Å
726	C	90.5	Very high	91.3	Very high	24 Å²	24	50.2 Å²	50.2	16%	0.162	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.7	-174.4	64.1	0	0	0	0	113.8	E467 R469 Y472	E467-C726 HydrophobicContact CB-CB 4.5Å; E467-C726 HydrophobicContact CG-CB 4.3Å; E467-C726 PolarHBondContact OE2-N 3.21Å; E467-C726 VanDerWaalsContact OE2-N 3.14Å; R469-C726 VanDerWaalsContact CG-SG 3.51Å; Y472-C726 HydrophobicContact CD1-CB 4.18Å; Y472-C726 HydrophobicContact CG-CB 4.22Å
727	G	88.1	Confident	91.4	Very high	27 Å²	27	52 Å²	52	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.3	179.1	0	0	0	0	0	115.2	S725 E729 E730	S725-G727 PolarHBondContact O-N 3.02Å; S725-G727 VanDerWaalsContact O-N 3.07Å; G727-E729 PolarHBondContact O-N 3.3Å; G727-E730 WeakPolarHBondContact O-CB 3.43Å; G727-E730 PolarHBondContact O-N 2.9Å; G727-E730 VanDerWaalsContact O-N 3.1Å
728	Y	90.2	Very high	91.6	Very high	16 Å²	16	49 Å²	49	6%	0.063	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.8	-172.5	77.7	-114.9	0	0	0	114.9	R486 V723 S725 T732 W734 Y742	R486-Y728 VanDerWaalsContact CZ-CD2 3.46Å; R486-Y728 VanDerWaalsContact NH1-CB 3.29Å; V723-Y728 WeakPolarHBondContact O-CD1 3.41Å; S725-Y728 WeakPolarHBondContact O-CD1 3.33Å; S725-Y728 PolarHBondContact O-N 2.88Å; Y728-T732 VanDerWaalsContact O-CG2 3.26Å; Y728-T732 WeakPolarHBondContact O-CG2 3.2Å; Y728-T732 PolarHBondContact O-OG1 2.91Å; Y728-W734 HydrophobicContact CD2-CB 4.2Å; Y728-W734 HydrophobicContact CD2-CG 4.01Å; Y728-W734 HydrophobicContact CE2-CB 4.03Å; Y728-W734 HydrophobicContact CE2-CD2 4.33Å; Y728-W734 HydrophobicContact CE2-CG 4.02Å; Y728-Y742 PolarHBondContact OH-OH 2.9Å
729	E	88.6	Confident	91.8	Very high	25 Å²	25	41.5 Å²	41.5	12%	0.117	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.4	-178.4	-58.3	177.4	166.8	0	0	112.1	H475 G727 K731 T732 W734 Y742	H475-E729 IonicContact CD2-OE1 3.72Å; H475-E729 IonicContact CD2-OE2 3.48Å; H475-E729 PolarHBondContact CD2-OE2 3.43Å; H475-E729 IonicContact NE2-OE2 2.62Å; H475-E729 PolarHBondContact NE2-OE2 3.07Å; G727-E729 PolarHBondContact O-N 3.3Å; E729-K731 PolarHBondContact O-N 2.93Å; E729-T732 WeakPolarHBondContact CA-OG1 3.19Å; E729-T732 PolarHBondContact O-N 3.18Å; E729-T732 PolarHBondContact O-OG1 3.5Å; E729-W734 HydrophobicContact CG-CB 4.41Å; E729-Y742 HydrophobicContact CG-CE2 4.42Å; E729-Y742 WeakPolarHBondContact OE1-CE2 3.49Å; E729-Y742 PolarHBondContact OE1-OH 3.47Å
730	E	87.7	Confident	92	Very high	105 Å²	105	39.7 Å²	39.7	49%	0.491	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	131.2	179.4	-65.2	-170.2	169.5	0	0	110.4	Y472 G727 T732	Y472-E730 WeakPolarHBondContact CE1-OE1 3.5Å; Y472-E730 PolarHBondContact OH-OE1 3.2Å; G727-E730 WeakPolarHBondContact O-CB 3.43Å; G727-E730 PolarHBondContact O-N 2.9Å; G727-E730 VanDerWaalsContact O-N 3.1Å; E730-T732 WeakPolarHBondContact O-CG2 3.41Å; E730-T732 PolarHBondContact O-N 3.42Å
731	K	86.9	Confident	92.1	Very high	195 Å²	195	39.8 Å²	39.8	85%	0.848	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	15.9	-178.8	-56.1	176.1	-179.6	175	0	114.1	E729	E729-K731 PolarHBondContact O-N 2.93Å
732	T	93.2	Very high	92	Very high	14 Å²	14	37.9 Å²	37.9	9%	0.086	19%	0.186	C	C	.	.	S	Bend	trans	-112.6	169.8	174.2	71.4	0	0	0	0	113.2	K688 Y728 E729 E730 W734	K688-T732 CarbonylContact O-C 3.56Å; K688-T732 WeakPolarHBondContact O-CA 3.32Å; Y728-T732 VanDerWaalsContact O-CG2 3.26Å; Y728-T732 WeakPolarHBondContact O-CG2 3.2Å; Y728-T732 PolarHBondContact O-OG1 2.91Å; E729-T732 WeakPolarHBondContact CA-OG1 3.19Å; E729-T732 PolarHBondContact O-N 3.18Å; E729-T732 PolarHBondContact O-OG1 3.5Å; E730-T732 WeakPolarHBondContact O-CG2 3.41Å; E730-T732 PolarHBondContact O-N 3.42Å; T732-W734 VanDerWaalsContact C-N 3.31Å
733	E	93.4	Very high	91.6	Very high	63 Å²	63	36.8 Å²	36.8	29%	0.294	20%	0.198	S	C	.	.			trans	-82.9	-4.2	175.8	-76	-173.4	-171	0	0	113.5	K688 R689 G735 K736 E737 I738	K688-E733 PolarHBondContact O-N 2.81Å; R689-E733 WeakPolarHBondContact CD-OE2 3.28Å; R689-E733 HydrophobicContact CG-CB 4.26Å; R689-E733 HydrophobicContact CG-CG 4.44Å; R689-E733 WeakPolarHBondContact CG-OE2 3.29Å; R689-E733 IonicContact NE-OE2 3.61Å; R689-E733 PolarHBondContact NE-OE2 3.41Å; R689-E733 PolarHBondContact O-N 3.02Å; E733-G735 PolarHBondContact O-N 2.8Å; E733-K736 PolarHBondContact O-N 3.19Å; E733-K736 VanDerWaalsContact O-N 3.15Å; E733-E737 HydrophobicContact CB-CB 4.08Å; E733-E737 HydrophobicContact CG-CB 4.3Å; E733-E737 PolarHBondContact O-N 3.39Å; E733-I738 HydrophobicContact CB-CD1 4.45Å; E733-I738 HydrophobicContact CB-CG1 4.12Å; E733-I738 HydrophobicContact CB-CG2 4.43Å; E733-I738 PolarHBondContact O-N 3.42Å; E733-I738 VanDerWaalsContact O-N 3.13Å
734	W	94.3	Very high	91.3	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-58.5	134.1	-178.3	-81.6	103.3	0	0	0	112.4	N482 V485 R486 Y582 F690 F696 Y728 E729 T732 K736 I738	N482-W734 HydrophobicContact CB-CE3 4.01Å; N482-W734 HydrophobicContact CB-CZ3 4.04Å; V485-W734 HydrophobicContact CB-CH2 4.48Å; V485-W734 HydrophobicContact CG1-CH2 3.98Å; R486-W734 HydrophobicContact CG-CH2 3.67Å; R486-W734 HydrophobicContact CG-CZ2 3.52Å; R486-W734 HydrophobicContact CG-CZ3 4.4Å; R486-W734 VanDerWaalsContact NH1-CD1 3.33Å; Y582-W734 HydrophobicContact CE1-CH2 4.39Å; F690-W734 PolarHBondContact O-NE1 3.29Å; F696-W734 AromaticContact CE1-CZ2 3.68Å; F696-W734 HydrophobicContact CE1-CZ2 3.68Å; F696-W734 HydrophobicContact CZ-CH2 4.1Å; F696-W734 AromaticContact CZ-CZ2 3.51Å; F696-W734 HydrophobicContact CZ-CZ2 3.51Å; Y728-W734 HydrophobicContact CD2-CB 4.2Å; Y728-W734 HydrophobicContact CD2-CG 4.01Å; Y728-W734 HydrophobicContact CE2-CB 4.03Å; Y728-W734 HydrophobicContact CE2-CD2 4.33Å; Y728-W734 HydrophobicContact CE2-CG 4.02Å; E729-W734 HydrophobicContact CG-CB 4.41Å; T732-W734 VanDerWaalsContact C-N 3.31Å; W734-K736 PolarHBondContact O-N 2.73Å; W734-I738 HydrophobicContact CD2-CD1 3.89Å; W734-I738 HydrophobicContact CD2-CG1 3.97Å; W734-I738 HydrophobicContact CE3-CD1 4.44Å; W734-I738 HydrophobicContact CE3-CG1 4.18Å; W734-I738 HydrophobicContact CG-CD1 4.13Å; W734-I738 HydrophobicContact CG-CG1 4.17Å; W734-I738 HydrophobicContact CZ2-CD1 4.2Å
735	G	92.6	Very high	90.9	Very high	2 Å²	2	39 Å²	39	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-10.9	-179.3	0	0	0	0	0	115.2	E733 I738 W740 I741 Y742	E733-G735 PolarHBondContact O-N 2.8Å; G735-I738 PolarHBondContact N-O 3.3Å; G735-W740 WeakPolarHBondContact CA-O 3.47Å; G735-I741 CarbonylContact O-C 3.48Å; G735-I741 WeakPolarHBondContact O-CA 3.5Å; G735-Y742 WeakPolarHBondContact O-CB 3.47Å; G735-Y742 PolarHBondContact O-N 3.07Å
736	K	91.1	Very high	90.7	Very high	122 Å²	122	37.9 Å²	37.9	53%	0.53	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-50.5	179.8	-60.3	168.1	-170	158.9	0	110.6	E733 W734	E733-K736 PolarHBondContact O-N 3.19Å; E733-K736 VanDerWaalsContact O-N 3.15Å; W734-K736 PolarHBondContact O-N 2.73Å
737	E	89.1	Confident	90.8	Very high	51 Å²	51	37.4 Å²	37.4	24%	0.238	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-28.8	-176.6	-74.1	-65.2	161.4	0	0	112.6	E733 R754 R758	E733-E737 HydrophobicContact CB-CB 4.08Å; E733-E737 HydrophobicContact CG-CB 4.3Å; E733-E737 PolarHBondContact O-N 3.39Å; E737-R754 IonicContact OE1-NH2 2.72Å; E737-R754 PolarHBondContact OE1-NH2 2.91Å; E737-R754 IonicContact OE2-CZ 2.91Å; E737-R754 VanDerWaalsContact OE2-CZ 3.32Å; E737-R754 IonicContact OE2-NE 2.63Å; E737-R754 PolarHBondContact OE2-NE 2.89Å; E737-R754 IonicContact OE2-NH2 3.1Å; E737-R754 PolarHBondContact OE2-NH2 3.01Å; E737-R758 PolarHBondContact O-NH1 3.35Å; E737-R758 PolarHBondContact O-NH2 2.87Å; E737-R758 IonicContact OE2-NH2 3.42Å; E737-R758 PolarHBondContact OE2-NH2 2.84Å
738	I	93.4	Very high	91.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-124.3	158.6	179.3	68.9	169.2	0	0	0	111.9	Y582 R689 F690 E733 W734 G735	Y582-I738 WeakPolarHBondContact O-CG2 3.32Å; R689-I738 HydrophobicContact CG-CD1 4.11Å; R689-I738 HydrophobicContact CG-CG2 4.32Å; R689-I738 WeakPolarHBondContact O-CD1 3.41Å; F690-I738 HydrophobicContact CD1-CD1 3.49Å; F690-I738 VanDerWaalsContact CD1-CD1 3.49Å; F690-I738 HydrophobicContact CE1-CD1 3.69Å; F690-I738 HydrophobicContact CG-CD1 4.43Å; E733-I738 HydrophobicContact CB-CD1 4.45Å; E733-I738 HydrophobicContact CB-CG1 4.12Å; E733-I738 HydrophobicContact CB-CG2 4.43Å; E733-I738 PolarHBondContact O-N 3.42Å; E733-I738 VanDerWaalsContact O-N 3.13Å; W734-I738 HydrophobicContact CD2-CD1 3.89Å; W734-I738 HydrophobicContact CD2-CG1 3.97Å; W734-I738 HydrophobicContact CE3-CD1 4.44Å; W734-I738 HydrophobicContact CE3-CG1 4.18Å; W734-I738 HydrophobicContact CG-CD1 4.13Å; W734-I738 HydrophobicContact CG-CG1 4.17Å; W734-I738 HydrophobicContact CZ2-CD1 4.2Å; G735-I738 PolarHBondContact N-O 3.3Å
739	G	95	Very high	91.4	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	20%	0.195	C	C	.	.	S	Bend	trans	75.6	-159.6	-174	0	0	0	0	0	112.8	N482 L581	N482-G739 VanDerWaalsContact OD1-CA 3.25Å; N482-G739 WeakPolarHBondContact OD1-CA 3.47Å; L581-G739 PolarHBondContact O-N 3.38Å
740	W	95.9	Very high	91.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-68.5	128.9	164.8	-84.4	-106.9	0	0	0	109.3	A478 M481 N482 V485 Y569 F576 L581 G735 Y742	A478-W740 HydrophobicContact CB-CB 4.15Å; M481-W740 HydrophobicContact CB-CB 4.44Å; M481-W740 HydrophobicContact CB-CD2 3.6Å; M481-W740 HydrophobicContact CB-CE3 3.86Å; M481-W740 HydrophobicContact CB-CG 3.85Å; M481-W740 HydrophobicContact CB-CZ3 4.43Å; M481-W740 HydrophobicContact CE-CH2 3.79Å; M481-W740 HydrophobicContact CE-CZ2 3.48Å; M481-W740 VanDerWaalsContact CE-CZ2 3.48Å; M481-W740 HydrophobicContact CE-CZ3 4.45Å; M481-W740 HydrophobicContact CG-CD2 4.26Å; M481-W740 HydrophobicContact CG-CG 4.38Å; N482-W740 PolarHBondContact ND2-O 3.43Å; N482-W740 PolarHBondContact OD1-N 3.01Å; V485-W740 HydrophobicContact CG2-CE3 3.95Å; V485-W740 HydrophobicContact CG2-CH2 4.3Å; V485-W740 HydrophobicContact CG2-CZ3 3.34Å; Y569-W740 AromaticContact CE1-NE1 3.48Å; Y569-W740 AromaticContact CZ-NE1 3.87Å; Y569-W740 PolarHBondContact OH-NE1 3.2Å; F576-W740 HydrophobicContact CD2-CH2 4.29Å; F576-W740 HydrophobicContact CD2-CZ2 4.19Å; F576-W740 HydrophobicContact CE2-CH2 4.39Å; F576-W740 AromaticContact CE2-CZ2 3.84Å; F576-W740 HydrophobicContact CE2-CZ2 3.84Å; F576-W740 HydrophobicContact CZ-CZ2 4.1Å; L581-W740 HydrophobicContact CD1-CE3 4.42Å; L581-W740 HydrophobicContact CD1-CH2 3.47Å; L581-W740 VanDerWaalsContact CD1-CH2 3.47Å; L581-W740 HydrophobicContact CD1-CZ2 4.49Å; L581-W740 HydrophobicContact CD1-CZ3 3.41Å; L581-W740 VanDerWaalsContact CD1-CZ3 3.41Å; L581-W740 HydrophobicContact CD2-CD2 4.12Å; L581-W740 HydrophobicContact CD2-CE3 3.57Å; L581-W740 HydrophobicContact CD2-CH2 3.83Å; L581-W740 HydrophobicContact CD2-CZ2 4.35Å; L581-W740 HydrophobicContact CD2-CZ3 3.39Å; L581-W740 HydrophobicContact CG-CH2 4.3Å; L581-W740 HydrophobicContact CG-CZ3 3.99Å; G735-W740 WeakPolarHBondContact CA-O 3.47Å; W740-Y742 WeakPolarHBondContact O-CD1 3.17Å; W740-Y742 WeakPolarHBondContact O-CE1 3.28Å
741	I	94.8	Very high	92.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-84	132.3	-172.2	-52.5	-58.3	0	0	0	110.6	G735 E747 L750 T751 R754	G735-I741 CarbonylContact O-C 3.48Å; G735-I741 WeakPolarHBondContact O-CA 3.5Å; I741-E747 VanDerWaalsContact O-CB 3.31Å; I741-E747 WeakPolarHBondContact O-CB 3.48Å; I741-L750 HydrophobicContact CB-CD2 4.03Å; I741-L750 HydrophobicContact CB-CG 3.96Å; I741-L750 HydrophobicContact CG2-CD2 3.53Å; I741-L750 HydrophobicContact CG2-CG 3.79Å; I741-T751 PolarHBondContact N-OG1 3.32Å; I741-R754 HydrophobicContact CD1-CG 4.44Å; I741-R754 HydrophobicContact CG1-CB 4.28Å; I741-R754 HydrophobicContact CG1-CG 4.45Å
742	Y	91.8	Very high	92.6	Very high	28 Å²	28	22.5 Å²	22.5	11%	0.11	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-85.1	170.8	-178.7	-56.1	-16.4	0	0	0	111.7	H475 A478 N482 Y728 E729 G735 W740	H475-Y742 HydrophobicContact CB-CD1 3.89Å; H475-Y742 HydrophobicContact CB-CD2 4Å; H475-Y742 HydrophobicContact CB-CE1 3.9Å; H475-Y742 HydrophobicContact CB-CE2 3.99Å; H475-Y742 HydrophobicContact CB-CG 3.96Å; H475-Y742 AromaticContact CD2-CD2 3.42Å; H475-Y742 VanDerWaalsContact CD2-CD2 3.42Å; H475-Y742 WeakPolarHBondContact CD2-CD2 3.32Å; H475-Y742 AromaticContact CD2-CE2 3.23Å; H475-Y742 WeakPolarHBondContact CD2-CE2 3.15Å; H475-Y742 AromaticContact CD2-CZ 3.94Å; H475-Y742 AromaticContact CE1-CD2 3.62Å; H475-Y742 AromaticContact CG-CD2 3.35Å; H475-Y742 AromaticContact CG-CE2 3.5Å; H475-Y742 AromaticContact CG-CG 3.7Å; H475-Y742 AromaticContact CG-CZ 4Å; H475-Y742 AromaticContact ND1-CD2 3.48Å; H475-Y742 WeakPolarHBondContact ND1-CD2 3.3Å; H475-Y742 AromaticContact ND1-CG 3.75Å; H475-Y742 AromaticContact NE2-CD2 3.6Å; H475-Y742 AromaticContact NE2-CE2 3.73Å; A478-Y742 HydrophobicContact CB-CD1 3.54Å; A478-Y742 HydrophobicContact CB-CE1 3.71Å; N482-Y742 WeakPolarHBondContact ND2-CE1 3.34Å; N482-Y742 VanDerWaalsContact ND2-CZ 3.3Å; N482-Y742 PolarHBondContact ND2-OH 3.35Å; Y728-Y742 PolarHBondContact OH-OH 2.9Å; E729-Y742 HydrophobicContact CG-CE2 4.42Å; E729-Y742 WeakPolarHBondContact OE1-CE2 3.49Å; E729-Y742 PolarHBondContact OE1-OH 3.47Å; G735-Y742 WeakPolarHBondContact O-CB 3.47Å; G735-Y742 PolarHBondContact O-N 3.07Å; W740-Y742 WeakPolarHBondContact O-CD1 3.17Å; W740-Y742 WeakPolarHBondContact O-CE1 3.28Å
743	G	84.6	Confident	92.7	Very high	63 Å²	63	22 Å²	22	65%	0.649	12%	0.124	S	C	*	.	S	Bend	trans	97	3.7	172.8	0	0	0	0	0	115.1
744	S	88.4	Confident	92.7	Very high	14 Å²	14	20.3 Å²	20.3	10%	0.098	12%	0.115	C	C	.	.			trans	-141.2	147.3	169.8	179.7	0	0	0	0	111	T746 E747 G793 E796	S744-T746 PolarHBondContact O-N 3.34Å; S744-T746 PolarHBondContact OG-N 2.93Å; S744-T746 PolarHBondContact OG-OG1 3.35Å; S744-E747 PolarHBondContact O-N 3.03Å; S744-G793 WeakPolarHBondContact OG-CA 3.44Å; S744-G793 PolarHBondContact OG-O 3.04Å; S744-E796 VanDerWaalsContact CA-OE2 3.27Å; S744-E796 WeakPolarHBondContact CA-OE2 3.32Å
745	V	85.7	Confident	92.7	Very high	34 Å²	34	20.5 Å²	20.5	21%	0.206	12%	0.116	C	C	.	.	S	Bend	trans	-67.6	-18.7	167.6	179.4	0	0	0	0	112.3	R789 E796 F922	V745-R789 HydrophobicContact CG1-CB 4.3Å; V745-E796 PolarHBondContact N-OE2 2.92Å; V745-F922 HydrophobicContact CG1-CE2 4.13Å
746	T	90.1	Very high	92.9	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.025	12%	0.115	C	C	.	.			trans	-105.9	60.3	170	52.2	0	0	0	0	109.1	S744 D748 I749 L750 G793	S744-T746 PolarHBondContact O-N 3.34Å; S744-T746 PolarHBondContact OG-N 2.93Å; S744-T746 PolarHBondContact OG-OG1 3.35Å; T746-D748 WeakPolarHBondContact CA-OD1 3.33Å; T746-D748 WeakPolarHBondContact CB-OD1 3.27Å; T746-D748 PolarHBondContact O-N 3.31Å; T746-I749 HydrophobicContact CG2-CD1 4.38Å; T746-I749 PolarHBondContact O-N 2.64Å; T746-L750 PolarHBondContact O-N 3.24Å; T746-G793 WeakPolarHBondContact OG1-CA 3.18Å
747	E	92.6	Very high	93.1	Very high	15 Å²	15	15 Å²	15	7%	0.07	9%	0.092	C	C	.	.	H	α-helix	trans	-59.1	-25.1	178.9	73.4	-81.1	-175.6	0	0	112.4	K477 A478 I741 S744 T751	K477-E747 WeakPolarHBondContact CB-OE1 3.34Å; K477-E747 WeakPolarHBondContact CD-OE1 3.48Å; K477-E747 WeakPolarHBondContact CG-OE1 3.48Å; A478-E747 HydrophobicContact CB-CB 3.88Å; A478-E747 HydrophobicContact CB-CG 3.71Å; I741-E747 VanDerWaalsContact O-CB 3.31Å; I741-E747 WeakPolarHBondContact O-CB 3.48Å; S744-E747 PolarHBondContact O-N 3.03Å; E747-T751 WeakPolarHBondContact O-CB 3.36Å; E747-T751 PolarHBondContact O-N 3.4Å; E747-T751 PolarHBondContact O-OG1 2.93Å
748	D	95.5	Very high	93.2	Very high	22 Å²	22	14 Å²	14	12%	0.118	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-55	-179.7	53.3	-8	0	0	0	111.8	Y569 V570 G571 T746 L750 T751 G752	Y569-D748 VanDerWaalsContact CD1-CA 3.4Å; Y569-D748 HydrophobicContact CD1-CB 3.56Å; Y569-D748 WeakPolarHBondContact CD1-O 3.34Å; Y569-D748 VanDerWaalsContact CE1-CA 3.45Å; Y569-D748 HydrophobicContact CE1-CB 3.4Å; Y569-D748 VanDerWaalsContact CE1-CB 3.4Å; Y569-D748 HydrophobicContact CG-CB 4.21Å; Y569-D748 CarbonylContact O-C 3.58Å; V570-D748 WeakPolarHBondContact CA-OD2 3.2Å; G571-D748 WeakPolarHBondContact CA-OD2 3.47Å; G571-D748 PolarHBondContact N-OD2 3.25Å; G571-D748 VanDerWaalsContact N-OD2 3.16Å; T746-D748 WeakPolarHBondContact CA-OD1 3.33Å; T746-D748 WeakPolarHBondContact CB-OD1 3.27Å; T746-D748 PolarHBondContact O-N 3.31Å; D748-L750 VanDerWaalsContact C-N 3.26Å; D748-L750 PolarHBondContact O-N 2.91Å; D748-T751 PolarHBondContact O-N 3.02Å; D748-G752 PolarHBondContact O-N 3.13Å
749	I	95.3	Very high	93.2	Very high	26 Å²	26	14.7 Å²	14.7	13%	0.133	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-43.1	177.9	-62.1	171.7	0	0	0	109.8	Y569 T746 G752 F753 Y821 T824	Y569-I749 PolarHBondContact O-N 3.47Å; T746-I749 HydrophobicContact CG2-CD1 4.38Å; T746-I749 PolarHBondContact O-N 2.64Å; I749-G752 PolarHBondContact O-N 2.94Å; I749-F753 VanDerWaalsContact O-CB 3.29Å; I749-F753 WeakPolarHBondContact O-CB 2.84Å; I749-F753 PolarHBondContact O-N 3.23Å; I749-Y821 HydrophobicContact CG2-CD1 4.32Å; I749-Y821 HydrophobicContact CG2-CE1 4.25Å; I749-T824 HydrophobicContact CD1-CG2 3.81Å; I749-T824 HydrophobicContact CG2-CG2 3.93Å
750	L	94.9	Very high	93.2	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-42.1	-179.9	-178.8	57.3	0	0	0	112.5	I741 T746 D748 F753 R754 I797 H802	I741-L750 HydrophobicContact CB-CD2 4.03Å; I741-L750 HydrophobicContact CB-CG 3.96Å; I741-L750 HydrophobicContact CG2-CD2 3.53Å; I741-L750 HydrophobicContact CG2-CG 3.79Å; T746-L750 PolarHBondContact O-N 3.24Å; D748-L750 VanDerWaalsContact C-N 3.26Å; D748-L750 PolarHBondContact O-N 2.91Å; L750-F753 HydrophobicContact CD1-CD1 4.36Å; L750-F753 WeakPolarHBondContact O-CB 3.43Å; L750-F753 PolarHBondContact O-N 3.43Å; L750-R754 PolarHBondContact O-N 2.99Å; L750-I797 HydrophobicContact CB-CD1 4.01Å; L750-I797 HydrophobicContact CB-CG1 4.41Å; L750-I797 HydrophobicContact CD1-CG2 4.48Å; L750-H802 HydrophobicContact CD1-CB 3.42Å; L750-H802 VanDerWaalsContact CD1-CB 3.42Å
751	T	96.1	Very high	93.2	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-65.1	-44.9	177.2	-60.1	0	0	0	0	110.8	L581 I741 E747 D748 R754 M755	L581-T751 HydrophobicContact CD2-CG2 4.17Å; I741-T751 PolarHBondContact N-OG1 3.32Å; E747-T751 WeakPolarHBondContact O-CB 3.36Å; E747-T751 PolarHBondContact O-N 3.4Å; E747-T751 PolarHBondContact O-OG1 2.93Å; D748-T751 PolarHBondContact O-N 3.02Å; T751-R754 PolarHBondContact O-N 2.62Å; T751-M755 HydrophobicContact CG2-CE 3.78Å; T751-M755 WeakPolarHBondContact O-CG 3.21Å; T751-M755 PolarHBondContact O-N 3.32Å
752	G	96.1	Very high	93.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-46.5	174.6	0	0	0	0	0	112.4	D748 I749 R754 M755 H756	D748-G752 PolarHBondContact O-N 3.13Å; I749-G752 PolarHBondContact O-N 2.94Å; G752-R754 VanDerWaalsContact C-N 3.34Å; G752-R754 PolarHBondContact O-N 2.96Å; G752-M755 PolarHBondContact O-N 2.98Å; G752-H756 PolarHBondContact O-N 3.46Å
753	F	95.9	Very high	93.6	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.013	11%	0.105	C	C	.	.	H	α-helix	trans	-55.9	-47.2	175.3	172.8	-112.3	0	0	0	111.8	I749 L750 M755 H756 C757 H802 P804 Y807 L813 Y821	I749-F753 VanDerWaalsContact O-CB 3.29Å; I749-F753 WeakPolarHBondContact O-CB 2.84Å; I749-F753 PolarHBondContact O-N 3.23Å; L750-F753 HydrophobicContact CD1-CD1 4.36Å; L750-F753 WeakPolarHBondContact O-CB 3.43Å; L750-F753 PolarHBondContact O-N 3.43Å; F753-M755 VanDerWaalsContact C-N 3.33Å; F753-M755 PolarHBondContact O-N 2.79Å; F753-H756 PolarHBondContact O-N 3.46Å; F753-C757 WeakPolarHBondContact CE2-SG 3.49Å; F753-C757 WeakPolarHBondContact CZ-SG 3.43Å; F753-C757 PolarHBondContact O-N 3.38Å; F753-C757 PolarHBondContact O-SG 3.1Å; F753-C757 VanDerWaalsContact O-SG 3.36Å; F753-H802 WeakPolarHBondContact CE1-O 3.39Å; F753-P804 HydrophobicContact CD2-CG 4.23Å; F753-P804 HydrophobicContact CE1-CG 4.39Å; F753-P804 HydrophobicContact CE2-CB 3.89Å; F753-P804 HydrophobicContact CE2-CG 3.79Å; F753-P804 HydrophobicContact CZ-CB 4.04Å; F753-P804 HydrophobicContact CZ-CG 3.89Å; F753-Y807 AromaticContact CE1-CD1 3.58Å; F753-Y807 HydrophobicContact CE1-CD1 3.58Å; F753-Y807 HydrophobicContact CE1-CE1 4.33Å; F753-Y807 HydrophobicContact CE1-CG 4.27Å; F753-Y807 AromaticContact CZ-CD1 3.88Å; F753-Y807 HydrophobicContact CZ-CD1 3.88Å; F753-L813 HydrophobicContact CD2-CD2 4.34Å; F753-L813 HydrophobicContact CE2-CD2 3.7Å; F753-Y821 WeakPolarHBondContact CA-OH 3.38Å; F753-Y821 HydrophobicContact CB-CD1 3.86Å; F753-Y821 HydrophobicContact CB-CE1 3.51Å; F753-Y821 AromaticContact CD2-CD1 3.78Å; F753-Y821 HydrophobicContact CD2-CD1 3.78Å; F753-Y821 AromaticContact CD2-CD2 3.72Å; F753-Y821 HydrophobicContact CD2-CD2 3.72Å; F753-Y821 HydrophobicContact CD2-CE1 4.09Å; F753-Y821 HydrophobicContact CD2-CE2 4.04Å; F753-Y821 AromaticContact CD2-CG 3.58Å; F753-Y821 HydrophobicContact CD2-CG 3.58Å; F753-Y821 HydrophobicContact CE2-CD2 4.39Å; F753-Y821 HydrophobicContact CE2-CG 4.27Å; F753-Y821 HydrophobicContact CG-CD1 4.19Å; F753-Y821 HydrophobicContact CG-CE1 4.27Å; F753-Y821 HydrophobicContact CG-CG 4.43Å; F753-Y821 PolarHBondContact N-OH 2.97Å
754	R	93.4	Very high	94.3	Very high	29 Å²	29	14.6 Å²	14.6	11%	0.109	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-43.2	-179.6	-170	74.1	-171.9	114.4	-11	111.9	E737 I741 L750 T751 G752 C757 R758 Y807	E737-R754 IonicContact OE1-NH2 2.72Å; E737-R754 PolarHBondContact OE1-NH2 2.91Å; E737-R754 IonicContact OE2-CZ 2.91Å; E737-R754 VanDerWaalsContact OE2-CZ 3.32Å; E737-R754 IonicContact OE2-NE 2.63Å; E737-R754 PolarHBondContact OE2-NE 2.89Å; E737-R754 IonicContact OE2-NH2 3.1Å; E737-R754 PolarHBondContact OE2-NH2 3.01Å; I741-R754 HydrophobicContact CD1-CG 4.44Å; I741-R754 HydrophobicContact CG1-CB 4.28Å; I741-R754 HydrophobicContact CG1-CG 4.45Å; L750-R754 PolarHBondContact O-N 2.99Å; T751-R754 PolarHBondContact O-N 2.62Å; G752-R754 VanDerWaalsContact C-N 3.34Å; G752-R754 PolarHBondContact O-N 2.96Å; R754-C757 PolarHBondContact O-N 3.45Å; R754-R758 PolarHBondContact O-N 3.06Å; R754-Y807 PolarHBondContact NE-OH 2.89Å; R754-Y807 PolarHBondContact NH1-OH 3.09Å; R754-Y807 PolarHBondContact NH2-OH 2.89Å
755	M	95.2	Very high	94.7	Very high	4 Å²	4	14 Å²	14	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-63.6	-45.3	176.5	-66.7	176.5	-174.5	0	0	111.6	C529 Y530 F576 A580 L581 T751 G752 F753 C757 R758 G759 W760	C529-M755 HydrophobicContact CB-CB 4.1Å; C529-M755 HydrophobicContact CB-CG 4.36Å; C529-M755 HydrophobicContact CB-SD 3.7Å; Y530-M755 HydrophobicContact CD1-SD 3.76Å; Y530-M755 HydrophobicContact CE1-SD 3.83Å; F576-M755 HydrophobicContact CD1-CE 3.99Å; F576-M755 HydrophobicContact CD1-SD 4.29Å; F576-M755 HydrophobicContact CE1-CE 3.97Å; F576-M755 HydrophobicContact CE1-SD 4.18Å; A580-M755 HydrophobicContact CB-SD 4.4Å; L581-M755 HydrophobicContact CB-CE 4.3Å; L581-M755 HydrophobicContact CD2-CE 3.21Å; L581-M755 HydrophobicContact CG-CE 3.44Å; L581-M755 VanDerWaalsContact CG-CE 3.44Å; T751-M755 HydrophobicContact CG2-CE 3.78Å; T751-M755 WeakPolarHBondContact O-CG 3.21Å; T751-M755 PolarHBondContact O-N 3.32Å; G752-M755 PolarHBondContact O-N 2.98Å; F753-M755 VanDerWaalsContact C-N 3.33Å; F753-M755 PolarHBondContact O-N 2.79Å; M755-C757 VanDerWaalsContact C-N 3.34Å; M755-C757 PolarHBondContact O-N 2.64Å; M755-R758 WeakPolarHBondContact O-CB 3.36Å; M755-R758 PolarHBondContact O-N 2.8Å; M755-R758 VanDerWaalsContact O-N 3.11Å; M755-G759 PolarHBondContact O-N 3.47Å; M755-W760 HydrophobicContact CB-CB 4.35Å; M755-W760 WeakPolarHBondContact O-CB 3.41Å; M755-W760 PolarHBondContact O-N 3.44Å
756	H	96.2	Very high	95.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.5	-36.5	177.4	-70.4	-177.3	0	0	0	112.4	Y530 Q565 P567 G752 F753 R758 G759 S762 L813 E817 Y821	Y530-H756 AromaticContact CZ-NE2 3.75Å; Y530-H756 PolarHBondContact OH-NE2 3.41Å; Y530-H756 VanDerWaalsContact OH-NE2 3.08Å; Q565-H756 PolarHBondContact NE2-O 3.24Å; P567-H756 PolarHBondContact O-CE1 3.27Å; G752-H756 PolarHBondContact O-N 3.46Å; F753-H756 PolarHBondContact O-N 3.46Å; H756-R758 PolarHBondContact O-N 3.39Å; H756-G759 WeakPolarHBondContact O-CA 3.45Å; H756-G759 PolarHBondContact O-N 3.08Å; H756-S762 PolarHBondContact CE1-OG 3.11Å; H756-S762 PolarHBondContact NE2-OG 3.09Å; H756-L813 HydrophobicContact CB-CD1 3.66Å; H756-E817 IonicContact CE1-OE1 3.26Å; H756-E817 IonicContact ND1-OE1 2.74Å; H756-Y821 HydrophobicContact CB-CE2 4.37Å; H756-Y821 PolarHBondContact CE1-OH 3.1Å; H756-Y821 VanDerWaalsContact CE1-OH 3.25Å; H756-Y821 AromaticContact ND1-CE2 3.49Å; H756-Y821 WeakPolarHBondContact ND1-CE2 3.2Å; H756-Y821 AromaticContact ND1-CZ 3.62Å; H756-Y821 PolarHBondContact ND1-OH 3.03Å
757	C	94.6	Very high	95.3	Very high	8 Å²	8	15.3 Å²	15.3	5%	0.054	8%	0.077	C	C	.	.	H	α-helix	trans	-59.9	-33.2	172.6	-75	0	0	0	0	113.1	F753 R754 M755 G759 A808	F753-C757 WeakPolarHBondContact CE2-SG 3.49Å; F753-C757 WeakPolarHBondContact CZ-SG 3.43Å; F753-C757 PolarHBondContact O-N 3.38Å; F753-C757 PolarHBondContact O-SG 3.1Å; F753-C757 VanDerWaalsContact O-SG 3.36Å; R754-C757 PolarHBondContact O-N 3.45Å; M755-C757 VanDerWaalsContact C-N 3.34Å; M755-C757 PolarHBondContact O-N 2.64Å; C757-G759 PolarHBondContact O-N 3.18Å; C757-A808 HydrophobicContact CB-CB 3.95Å
758	R	91.9	Very high	95.2	Very high	30 Å²	30	22.3 Å²	22.3	11%	0.113	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.8	173.9	-69.8	175.9	176	138	1.8	113.3	G583 P586 E737 R754 M755 H756 K812	G583-R758 VanDerWaalsContact CA-NH1 3.32Å; P586-R758 VanDerWaalsContact CD-O 3.32Å; P586-R758 WeakPolarHBondContact CD-O 3.42Å; E737-R758 PolarHBondContact O-NH1 3.35Å; E737-R758 PolarHBondContact O-NH2 2.87Å; E737-R758 IonicContact OE2-NH2 3.42Å; E737-R758 PolarHBondContact OE2-NH2 2.84Å; R754-R758 PolarHBondContact O-N 3.06Å; M755-R758 WeakPolarHBondContact O-CB 3.36Å; M755-R758 PolarHBondContact O-N 2.8Å; M755-R758 VanDerWaalsContact O-N 3.11Å; H756-R758 PolarHBondContact O-N 3.39Å; R758-K812 WeakPolarHBondContact O-CD 3.45Å
759	G	92.7	Very high	95.1	Very high	17 Å²	17	24.8 Å²	24.8	18%	0.175	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	7.9	176.6	0	0	0	0	0	114.5	M755 H756 C757	M755-G759 PolarHBondContact O-N 3.47Å; H756-G759 WeakPolarHBondContact O-CA 3.45Å; H756-G759 PolarHBondContact O-N 3.08Å; C757-G759 PolarHBondContact O-N 3.18Å
760	W	95.6	Very high	95.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.			trans	-64.7	151.5	170.6	-69.7	100.3	0	0	0	110.8	L528 C529 Q565 A580 Y584 P586 Y649 M755	L528-W760 VanDerWaalsContact O-CZ3 3.23Å; L528-W760 WeakPolarHBondContact O-CZ3 3.37Å; C529-W760 HydrophobicContact CB-CB 3.55Å; C529-W760 HydrophobicContact CB-CD2 3.97Å; C529-W760 HydrophobicContact CB-CE3 4.07Å; C529-W760 HydrophobicContact CB-CG 3.77Å; Q565-W760 PolarHBondContact NE2-O 3.49Å; A580-W760 HydrophobicContact CB-CD2 3.93Å; A580-W760 HydrophobicContact CB-CE3 4.3Å; A580-W760 HydrophobicContact CB-CG 4.44Å; A580-W760 HydrophobicContact CB-CH2 4.13Å; A580-W760 HydrophobicContact CB-CZ2 3.78Å; A580-W760 HydrophobicContact CB-CZ3 4.39Å; Y584-W760 PolarHBondContact O-NE1 2.85Å; P586-W760 HydrophobicContact CB-CD2 3.89Å; P586-W760 HydrophobicContact CB-CE3 3.84Å; P586-W760 HydrophobicContact CB-CH2 4.31Å; P586-W760 HydrophobicContact CB-CZ2 4.31Å; P586-W760 HydrophobicContact CB-CZ3 4.06Å; P586-W760 HydrophobicContact CG-CD2 4.14Å; P586-W760 HydrophobicContact CG-CG 4.27Å; Y649-W760 HydrophobicContact CD1-CH2 4.35Å; Y649-W760 HydrophobicContact CD1-CZ2 4.45Å; Y649-W760 AromaticContact CE1-CH2 3.45Å; Y649-W760 HydrophobicContact CE1-CH2 3.45Å; Y649-W760 VanDerWaalsContact CE1-CH2 3.45Å; Y649-W760 AromaticContact CE1-CZ2 3.96Å; Y649-W760 HydrophobicContact CE1-CZ2 3.96Å; Y649-W760 HydrophobicContact CE1-CZ3 4.44Å; M755-W760 HydrophobicContact CB-CB 4.35Å; M755-W760 WeakPolarHBondContact O-CB 3.41Å; M755-W760 PolarHBondContact O-N 3.44Å
761	K	96.3	Very high	95.2	Very high	87 Å²	87	25.3 Å²	25.3	38%	0.378	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	156.1	170.1	-64.5	-178	-175.8	178.8	0	109.5	K527 L528 C529 Q565	K527-K761 PolarHBondContact O-N 2.66Å; L528-K761 CarbonylContact C-O 3.46Å; L528-K761 VanDerWaalsContact CA-O 3.25Å; L528-K761 WeakPolarHBondContact CA-O 3.45Å; L528-K761 HydrophobicContact CD2-CB 3.95Å; C529-K761 PolarHBondContact N-O 3.48Å; C529-K761 PolarHBondContact SG-O 3.42Å; Q565-K761 HydrophobicContact CG-CG 4.47Å; Q565-K761 WeakPolarHBondContact O-CA 3.48Å; Q565-K761 WeakPolarHBondContact O-CB 3.25Å
762	S	98	Very high	95.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	166.5	169.4	53.6	0	0	0	0	109.8	Y530 Q565 G566 P567 H756	Y530-S762 VanDerWaalsContact CD2-CB 3.48Å; Y530-S762 VanDerWaalsContact O-CA 3.28Å; Y530-S762 WeakPolarHBondContact O-CA 3.4Å; Y530-S762 WeakPolarHBondContact O-CB 3.24Å; Q565-S762 PolarHBondContact O-N 3.12Å; Q565-S762 VanDerWaalsContact O-N 3.14Å; G566-S762 VanDerWaalsContact CA-O 3.23Å; G566-S762 WeakPolarHBondContact CA-O 3.36Å; G566-S762 WeakPolarHBondContact CA-OG 3.44Å; P567-S762 WeakPolarHBondContact CD-OG 3.47Å; P567-S762 PolarHBondContact O-OG 2.71Å; H756-S762 PolarHBondContact CE1-OG 3.11Å; H756-S762 PolarHBondContact NE2-OG 3.09Å
763	V	97.4	Very high	95.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.8	-178.5	165.3	0	0	0	0	109.7	F518 L524 L528 Y530 V531 Q532 P567	F518-V763 HydrophobicContact CD1-CG1 3.89Å; F518-V763 HydrophobicContact CD1-CG2 4.45Å; F518-V763 HydrophobicContact CD2-CG1 3.97Å; F518-V763 HydrophobicContact CE1-CG1 3.96Å; F518-V763 HydrophobicContact CE2-CG1 4.05Å; F518-V763 HydrophobicContact CG-CG1 3.89Å; F518-V763 HydrophobicContact CZ-CG1 4.04Å; L524-V763 HydrophobicContact CD2-CG2 4.05Å; L528-V763 HydrophobicContact CD1-CG2 3.75Å; L528-V763 HydrophobicContact CD2-CG2 3.64Å; L528-V763 HydrophobicContact CG-CG2 4.36Å; Y530-V763 PolarHBondContact O-N 3.02Å; V531-V763 CarbonylContact C-O 3.4Å; V531-V763 WeakPolarHBondContact CA-O 3.16Å; V531-V763 HydrophobicContact CG1-CG1 4.41Å; V531-V763 HydrophobicContact CG2-CB 4.33Å; Q532-V763 PolarHBondContact N-O 3.37Å; P567-V763 WeakPolarHBondContact CG-O 3.13Å
764	Y	97.8	Very high	94.9	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.02	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.1	169.3	-162.4	-132.2	0	0	0	110.5	Q532 P534 F554 M558 R559 D562 P567 M766	Q532-Y764 HydrophobicContact CB-CD2 4.41Å; Q532-Y764 HydrophobicContact CG-CD2 4.39Å; Q532-Y764 HydrophobicContact CG-CE2 4.47Å; Q532-Y764 VanDerWaalsContact O-CD2 3.27Å; Q532-Y764 WeakPolarHBondContact O-CD2 3.33Å; P534-Y764 WeakPolarHBondContact CB-OH 3.1Å; F554-Y764 VanDerWaalsContact O-CE1 3.28Å; F554-Y764 WeakPolarHBondContact O-CE1 3.28Å; F554-Y764 PolarHBondContact O-OH 3Å; M558-Y764 HydrophobicContact CB-CD1 3.88Å; M558-Y764 HydrophobicContact CB-CD2 4.19Å; M558-Y764 HydrophobicContact CB-CE1 3.57Å; M558-Y764 HydrophobicContact CB-CE2 3.95Å; M558-Y764 HydrophobicContact CB-CG 4.19Å; M558-Y764 HydrophobicContact CG-CE2 4.21Å; R559-Y764 HydrophobicContact CG-CD1 4.38Å; R559-Y764 HydrophobicContact CG-CE1 4.34Å; D562-Y764 PolarHBondContact OD1-N 3.36Å; P567-Y764 HydrophobicContact CB-CD2 4.02Å; P567-Y764 HydrophobicContact CB-CG 4.34Å; P567-Y764 HydrophobicContact CG-CD2 4.13Å; P567-Y764 HydrophobicContact CG-CG 4.37Å; Y764-M766 HydrophobicContact CD1-CG 3.83Å; Y764-M766 HydrophobicContact CD1-SD 3.91Å; Y764-M766 HydrophobicContact CE1-CE 4.35Å; Y764-M766 HydrophobicContact CE1-CG 3.47Å; Y764-M766 VanDerWaalsContact CE1-CG 3.47Å; Y764-M766 HydrophobicContact CE1-SD 3.31Å; Y764-M766 WeakPolarHBondContact CE1-SD 3.33Å
765	C	97.2	Very high	94.4	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.02	13%	0.132	C	C	.	.			trans	-114.3	118.7	-179.3	-174.3	0	0	0	0	110.5	F518 V531 Q532 F533 P534 P767	F518-C765 HydrophobicContact CE2-CB 4.02Å; V531-C765 HydrophobicContact CG1-CB 3.64Å; Q532-C765 PolarHBondContact O-N 2.85Å; F533-C765 HydrophobicContact CD1-CB 3.9Å; F533-C765 VanDerWaalsContact CD1-O 3.29Å; F533-C765 WeakPolarHBondContact CD1-O 3.39Å; F533-C765 HydrophobicContact CE1-CB 3.63Å; F533-C765 WeakPolarHBondContact CE1-SG 3.27Å; F533-C765 HydrophobicContact CZ-CB 4.01Å; P534-C765 WeakPolarHBondContact CD-O 3.42Å; C765-P767 WeakPolarHBondContact O-CD 3.11Å
766	M	94.8	Very high	93.6	Very high	47 Å²	47	27.3 Å²	27.3	23%	0.232	14%	0.135	C	C	.	.			trans	-122.1	78.2	179.2	-62.1	-176.7	78.7	0	0	109.9	P534 D555 R559 Y764	P534-M766 HydrophobicContact CG-CG 4.17Å; D555-M766 WeakPolarHBondContact OD1-CE 3.4Å; R559-M766 HydrophobicContact CG-SD 4.25Å; R559-M766 PolarHBondContact NE-SD 2.94Å; R559-M766 VanDerWaalsContact NE-SD 3.39Å; Y764-M766 HydrophobicContact CD1-CG 3.83Å; Y764-M766 HydrophobicContact CD1-SD 3.91Å; Y764-M766 HydrophobicContact CE1-CE 4.35Å; Y764-M766 HydrophobicContact CE1-CG 3.47Å; Y764-M766 VanDerWaalsContact CE1-CG 3.47Å; Y764-M766 HydrophobicContact CE1-SD 3.31Å; Y764-M766 WeakPolarHBondContact CE1-SD 3.33Å
767	P	94	Very high	92.3	Very high	18 Å²	18	27.9 Å²	27.9	12%	0.117	14%	0.138	C	C	.	.			trans	-62.9	153.4	173.9	26.6	-32.1	0	0	0	110.6	E514 F533 C765 R769 A771	E514-P767 HydrophobicContact CG-CB 4.32Å; F533-P767 HydrophobicContact CD1-CG 4.36Å; F533-P767 HydrophobicContact CE1-CG 4.27Å; C765-P767 WeakPolarHBondContact O-CD 3.11Å; P767-R769 VanDerWaalsContact C-N 3.32Å; P767-R769 WeakPolarHBondContact CG-O 3.46Å; P767-R769 CarbonylContact O-C 3.56Å; P767-R769 PolarHBondContact O-N 2.91Å; P767-A771 HydrophobicContact CG-CB 4.11Å
768	K	90.1	Very high	91.1	Very high	161 Å²	161	29.5 Å²	29.5	70%	0.7	15%	0.146	S	C	*	.	S	Bend	trans	-53.3	-47.2	-179.5	-71.6	-174.6	176	-171	0	112.2
769	R	93.1	Very high	90.4	Very high	74 Å²	74	28.5 Å²	28.5	28%	0.279	14%	0.143	S	C	.	.	S	Bend	trans	-84.5	122.1	168.4	-175	177.2	-178.8	96.1	6.5	108.2	E365 N507 N508 P767 A771	E365-R769 IonicContact OE2-NE 3.37Å; N507-R769 PolarHBondContact O-NE 3.06Å; N507-R769 PolarHBondContact O-NH2 3.35Å; N507-R769 PolarHBondContact OD1-NH2 3.3Å; N507-R769 VanDerWaalsContact OD1-NH2 3.1Å; N508-R769 HydrophobicContact CB-CB 4.35Å; N508-R769 HydrophobicContact CB-CG 4.06Å; N508-R769 PolarHBondContact ND2-O 3Å; P767-R769 VanDerWaalsContact C-N 3.32Å; P767-R769 WeakPolarHBondContact CG-O 3.46Å; P767-R769 CarbonylContact O-C 3.56Å; P767-R769 PolarHBondContact O-N 2.91Å; R769-A771 PolarHBondContact O-N 3.22Å
770	P	95.8	Very high	89.8	Confident	41 Å²	41	28 Å²	28	27%	0.266	14%	0.136	S	C	.	.			trans	-50.4	129.4	177.6	-29.7	36	0	0	0	112.1	N507 R536	N507-P770 WeakPolarHBondContact CB-O 3.47Å; N507-P770 PolarHBondContact ND2-O 2.92Å; R536-P770 HydrophobicContact CB-CB 4.4Å; R536-P770 HydrophobicContact CG-CB 3.95Å; R536-P770 HydrophobicContact CG-CG 4.32Å
771	A	97	Very high	89.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-63.4	-47.8	-176.3	0	0	0	0	0	112.3	N507 N508 A511 F533 P767 R769	N507-A771 PolarHBondContact N-O 3.23Å; N508-A771 PolarHBondContact N-O 3.25Å; N508-A771 VanDerWaalsContact N-O 3.12Å; A511-A771 HydrophobicContact CB-CB 3.84Å; F533-A771 HydrophobicContact CB-CB 4.18Å; F533-A771 HydrophobicContact CD1-CB 3.34Å; F533-A771 HydrophobicContact CE1-CB 3.82Å; F533-A771 HydrophobicContact CG-CB 3.88Å; P767-A771 HydrophobicContact CG-CB 4.11Å; R769-A771 PolarHBondContact O-N 3.22Å
772	F	96.9	Very high	88.5	Confident	2 Å²	2	25 Å²	25	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.8	-176.8	-50.8	-73.3	0	0	0	110	L498 L500 Y505 I506 A511 F533	L498-F772 HydrophobicContact CD1-CE1 4.27Å; L498-F772 HydrophobicContact CD1-CE2 4.31Å; L498-F772 HydrophobicContact CD1-CZ 3.69Å; L498-F772 HydrophobicContact CD2-CE1 3.98Å; L498-F772 HydrophobicContact CD2-CZ 3.96Å; L498-F772 HydrophobicContact CG-CZ 4.5Å; L500-F772 HydrophobicContact CD1-CE1 4.37Å; L500-F772 HydrophobicContact CD2-CD1 3.57Å; L500-F772 HydrophobicContact CD2-CE1 3.76Å; L500-F772 HydrophobicContact CD2-CG 4.06Å; L500-F772 HydrophobicContact CD2-CZ 4.36Å; Y505-F772 WeakPolarHBondContact O-CA 3.45Å; I506-F772 HydrophobicContact CD1-CE1 4.41Å; I506-F772 HydrophobicContact CG1-CD1 4.18Å; I506-F772 HydrophobicContact CG1-CE1 3.95Å; A511-F772 HydrophobicContact CB-CE1 4.28Å; A511-F772 HydrophobicContact CB-CZ 4.02Å; F533-F772 HydrophobicContact CB-CD2 3.79Å; F533-F772 HydrophobicContact CB-CE2 3.8Å; F533-F772 HydrophobicContact CD1-CE2 4.42Å; F533-F772 HydrophobicContact CD2-CD2 4.44Å; F533-F772 AromaticContact CD2-CE2 3.58Å; F533-F772 HydrophobicContact CD2-CE2 3.58Å; F533-F772 HydrophobicContact CD2-CZ 4.46Å; F533-F772 HydrophobicContact CE2-CE2 4.21Å; F533-F772 HydrophobicContact CG-CD2 4.15Å; F533-F772 AromaticContact CG-CE2 3.68Å; F533-F772 HydrophobicContact CG-CE2 3.68Å
773	K	94.5	Very high	88	Confident	44 Å²	44	25.1 Å²	25.1	19%	0.191	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.8	171.3	-78	-179.6	160.7	-156.1	0	109	H504 Y505 N507 R536 D538	H504-K773 CarbonylContact C-O 3.49Å; H504-K773 WeakPolarHBondContact CA-O 3.35Å; Y505-K773 HydrophobicContact CD1-CB 4.36Å; Y505-K773 WeakPolarHBondContact CD1-O 3.29Å; Y505-K773 HydrophobicContact CE1-CB 3.61Å; Y505-K773 WeakPolarHBondContact CE1-O 3.08Å; Y505-K773 HydrophobicContact CE2-CB 4.25Å; Y505-K773 PolarHBondContact N-O 3.43Å; Y505-K773 PolarHBondContact O-N 3.32Å; Y505-K773 VanDerWaalsContact O-N 3.16Å; Y505-K773 WeakPolarHBondContact OH-CD 3.27Å; N507-K773 HydrophobicContact CB-CB 4.14Å; N507-K773 HydrophobicContact CB-CD 3.99Å; N507-K773 HydrophobicContact CB-CG 3.9Å; R536-K773 HydrophobicContact CB-CG 4.04Å; R536-K773 CarbonylContact O-C 3.52Å; R536-K773 VanDerWaalsContact O-CA 3.25Å; R536-K773 WeakPolarHBondContact O-CA 3.32Å; D538-K773 WeakPolarHBondContact OD1-CD 3.5Å; D538-K773 IonicContact OD1-NZ 3.74Å; D538-K773 PolarHBondContact OD1-NZ 3.41Å
774	G	90.6	Very high	87.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	-162.8	174.4	0	0	0	0	0	114.2	D503 R536 F537 D538	D503-G774 WeakPolarHBondContact O-CA 3.46Å; R536-G774 PolarHBondContact O-N 2.8Å; F537-G774 CarbonylContact C-O 3.59Å; F537-G774 WeakPolarHBondContact CA-O 3.36Å; D538-G774 PolarHBondContact N-O 3.29Å
775	S	83.7	Confident	87.2	Confident	26 Å²	26	27 Å²	27	18%	0.182	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.5	-177.2	-60.3	0	0	0	0	111.5	D503	D503-S775 PolarHBondContact O-N 3.28Å
776	A	78	Confident	86.7	Confident	9 Å²	9	27.8 Å²	27.8	7%	0.074	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-84.7	153.6	172.6	0	0	0	0	0	111.3	F537 I540 N548 I778	F537-A776 HydrophobicContact CB-CB 3.7Å; F537-A776 HydrophobicContact CD1-CB 4.4Å; F537-A776 HydrophobicContact CG-CB 4Å; I540-A776 HydrophobicContact CD1-CB 4.17Å; I540-A776 HydrophobicContact CG1-CB 3.64Å; N548-A776 HydrophobicContact CB-CB 4.06Å; A776-I778 PolarHBondContact O-N 2.97Å
777	P	67.8	Low	86.6	Confident	11 Å²	11	25.9 Å²	25.9	7%	0.071	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-64.7	130.1	168.8	27.6	-32.7	0	0	0	110.4	N548 D782 R783	N548-P777 PolarHBondContact ND2-O 3.24Å; P777-D782 HydrophobicContact CB-CB 4.09Å; P777-R783 HydrophobicContact CB-CB 4.21Å; P777-R783 HydrophobicContact CG-CB 3.82Å; P777-R783 HydrophobicContact CG-CG 4.3Å
778	I	69.7	Low	86.6	Confident	42 Å²	42	25.8 Å²	25.8	22%	0.215	13%	0.127	C	C	.	.	S	Bend	trans	-78.5	-42.4	-174.7	-56.6	170.4	0	0	0	110.6	A776 A929 D938 L939	A776-I778 PolarHBondContact O-N 2.97Å; I778-A929 HydrophobicContact CD1-CB 3.63Å; I778-D938 HydrophobicContact CG2-CB 3.85Å; I778-L939 HydrophobicContact CG2-CD1 3.75Å; I778-L939 HydrophobicContact CG2-CG 3.74Å; I778-L939 WeakPolarHBondContact O-CG 3.44Å
779	N	76.7	Confident	86.5	Confident	10 Å²	10	20.4 Å²	20.4	5%	0.053	10%	0.102	C	C	.	.	S	Bend	trans	-101.6	158.8	-177.4	69.5	56.5	0	0	0	113	S781 D782 R783	N779-S781 VanDerWaalsContact C-N 3.34Å; N779-S781 PolarHBondContact O-N 3.4Å; N779-S781 PolarHBondContact OD1-N 2.86Å; N779-D782 PolarHBondContact ND2-OD2 3.17Å; N779-D782 WeakPolarHBondContact OD1-CB 3.47Å; N779-D782 PolarHBondContact OD1-N 3.37Å; N779-D782 PolarHBondContact OD1-OD2 2.66Å; N779-R783 PolarHBondContact O-N 3.31Å
780	L	81.5	Confident	86.5	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-38.1	-179.5	177.4	62.3	0	0	0	112.9	Y546 R783 L784 F894 F942 L948 F997	Y546-L780 HydrophobicContact CD1-CB 4.42Å; Y546-L780 HydrophobicContact CD1-CD1 3.69Å; Y546-L780 HydrophobicContact CE1-CB 3.9Å; Y546-L780 HydrophobicContact CE1-CD1 3.82Å; Y546-L780 HydrophobicContact CE1-CD2 4.31Å; Y546-L780 HydrophobicContact CE1-CG 4.21Å; Y546-L780 HydrophobicContact CE2-CB 4.04Å; Y546-L780 HydrophobicContact CG-CD1 4.24Å; L780-R783 PolarHBondContact O-N 3.05Å; L780-L784 HydrophobicContact CD1-CD1 4.2Å; L780-L784 HydrophobicContact CD1-CG 4.02Å; L780-L784 HydrophobicContact CD2-CD1 4.49Å; L780-L784 HydrophobicContact CG-CD1 3.99Å; L780-L784 HydrophobicContact CG-CG 4.24Å; L780-L784 WeakPolarHBondContact O-CG 3.41Å; L780-L784 PolarHBondContact O-N 2.82Å; L780-F894 HydrophobicContact CD1-CE2 4.23Å; L780-F942 HydrophobicContact CD2-CE1 3.95Å; L780-F942 HydrophobicContact CD2-CE2 4.28Å; L780-F942 HydrophobicContact CD2-CZ 3.51Å; L780-L948 HydrophobicContact CD2-CD2 4.41Å; L780-F997 HydrophobicContact CD2-CD2 3.65Å; L780-F997 HydrophobicContact CD2-CE2 3.99Å
781	S	81.6	Confident	86.5	Confident	8 Å²	8	18.6 Å²	18.6	6%	0.056	9%	0.09	C	C	.	.	H	α-helix	trans	-62.5	-49.2	-176.7	177.5	0	0	0	0	111.3	N779 R783 L784 H785	N779-S781 VanDerWaalsContact C-N 3.34Å; N779-S781 PolarHBondContact O-N 3.4Å; N779-S781 PolarHBondContact OD1-N 2.86Å; S781-R783 VanDerWaalsContact C-N 3.27Å; S781-R783 PolarHBondContact O-N 3.16Å; S781-L784 PolarHBondContact O-N 3.22Å; S781-L784 VanDerWaalsContact O-N 3.17Å; S781-H785 PolarHBondContact O-CD2 3.38Å; S781-H785 VanDerWaalsContact O-CD2 3.25Å; S781-H785 PolarHBondContact O-N 3.03Å
782	D	83.1	Confident	86.2	Confident	17 Å²	17	19.1 Å²	19.1	9%	0.091	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-36.7	179.8	-66.3	-24.5	0	0	0	110.4	P777 N779 H785 Q786 K943	P777-D782 HydrophobicContact CB-CB 4.09Å; N779-D782 PolarHBondContact ND2-OD2 3.17Å; N779-D782 WeakPolarHBondContact OD1-CB 3.47Å; N779-D782 PolarHBondContact OD1-N 3.37Å; N779-D782 PolarHBondContact OD1-OD2 2.66Å; D782-H785 PolarHBondContact O-N 2.86Å; D782-Q786 WeakPolarHBondContact O-CB 3.23Å; D782-Q786 PolarHBondContact O-N 3.49Å; D782-K943 IonicContact OD2-NZ 3.97Å; D782-K943 PolarHBondContact OD2-NZ 2.97Å
783	R	86.6	Confident	86	Confident	4 Å²	4	19 Å²	19	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-42.3	172.9	179.7	52.8	-176.6	-167	-6.3	112.6	A547 N548 N550 P777 N779 L780 S781 Q786 V787 W790 F894	A547-R783 PolarHBondContact O-NH2 2.82Å; N548-R783 VanDerWaalsContact OD1-CD 3.31Å; N548-R783 WeakPolarHBondContact OD1-CD 3.36Å; N550-R783 PolarHBondContact OD1-NH2 3.24Å; P777-R783 HydrophobicContact CB-CB 4.21Å; P777-R783 HydrophobicContact CG-CB 3.82Å; P777-R783 HydrophobicContact CG-CG 4.3Å; N779-R783 PolarHBondContact O-N 3.31Å; L780-R783 PolarHBondContact O-N 3.05Å; S781-R783 VanDerWaalsContact C-N 3.27Å; S781-R783 PolarHBondContact O-N 3.16Å; R783-Q786 WeakPolarHBondContact O-CB 3.25Å; R783-Q786 PolarHBondContact O-N 3.27Å; R783-V787 WeakPolarHBondContact O-CG2 3.39Å; R783-V787 PolarHBondContact O-N 3.17Å; R783-W790 VanDerWaalsContact NH1-CH2 3.31Å; R783-F894 HydrophobicContact CG-CE1 4.43Å; R783-F894 HydrophobicContact CG-CE2 3.77Å; R783-F894 HydrophobicContact CG-CZ 3.51Å
784	L	90.3	Very high	86	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.7	-40	175	-74.4	175.5	0	0	0	112.2	L780 S781 Q786 V787 L788 I897 S901 A902 L947 L948	L780-L784 HydrophobicContact CD1-CD1 4.2Å; L780-L784 HydrophobicContact CD1-CG 4.02Å; L780-L784 HydrophobicContact CD2-CD1 4.49Å; L780-L784 HydrophobicContact CG-CD1 3.99Å; L780-L784 HydrophobicContact CG-CG 4.24Å; L780-L784 WeakPolarHBondContact O-CG 3.41Å; L780-L784 PolarHBondContact O-N 2.82Å; S781-L784 PolarHBondContact O-N 3.22Å; S781-L784 VanDerWaalsContact O-N 3.17Å; L784-Q786 VanDerWaalsContact C-N 3.28Å; L784-Q786 PolarHBondContact O-N 3.41Å; L784-V787 PolarHBondContact O-N 3.41Å; L784-L788 WeakPolarHBondContact O-CB 3.44Å; L784-L788 PolarHBondContact O-N 3.3Å; L784-I897 HydrophobicContact CD2-CG2 4.29Å; L784-S901 WeakPolarHBondContact CD2-OG 3.35Å; L784-A902 HydrophobicContact CD2-CB 4.45Å; L784-A902 WeakPolarHBondContact O-CB 3.24Å; L784-L947 HydrophobicContact CB-CD1 3.86Å; L784-L947 HydrophobicContact CD1-CB 4.28Å; L784-L948 HydrophobicContact CD1-CD2 3.75Å
785	H	87.4	Confident	86.2	Confident	46 Å²	46	17 Å²	17	21%	0.213	8%	0.083	C	C	.	.	H	α-helix	trans	-64.6	-33.5	173.3	-83.6	-73.7	0	0	0	112.2	S781 D782 R789 T925 T945	S781-H785 PolarHBondContact O-CD2 3.38Å; S781-H785 VanDerWaalsContact O-CD2 3.25Å; S781-H785 PolarHBondContact O-N 3.03Å; D782-H785 PolarHBondContact O-N 2.86Å; H785-R789 WeakPolarHBondContact O-CG 3.47Å; H785-R789 PolarHBondContact O-N 3.36Å; H785-R789 VanDerWaalsContact O-N 3.14Å; H785-T925 HydrophobicContact CB-CG2 3.99Å; H785-T945 PolarHBondContact NE2-OG1 2.8Å
786	Q	88.4	Confident	86.6	Confident	19 Å²	19	16.4 Å²	16.4	9%	0.089	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-48.9	172	-179.3	-179	47.5	0	0	111.8	D782 R783 L784 L788 R789 W790	D782-Q786 WeakPolarHBondContact O-CB 3.23Å; D782-Q786 PolarHBondContact O-N 3.49Å; R783-Q786 WeakPolarHBondContact O-CB 3.25Å; R783-Q786 PolarHBondContact O-N 3.27Å; L784-Q786 VanDerWaalsContact C-N 3.28Å; L784-Q786 PolarHBondContact O-N 3.41Å; Q786-L788 VanDerWaalsContact C-N 3.31Å; Q786-L788 PolarHBondContact O-N 3.24Å; Q786-R789 WeakPolarHBondContact O-CB 3.43Å; Q786-R789 PolarHBondContact O-N 3.47Å; Q786-W790 HydrophobicContact CG-CD2 4.19Å; Q786-W790 HydrophobicContact CG-CE3 4.48Å; Q786-W790 HydrophobicContact CG-CH2 3.74Å; Q786-W790 HydrophobicContact CG-CZ2 3.39Å; Q786-W790 HydrophobicContact CG-CZ3 4.27Å; Q786-W790 PolarHBondContact O-N 3.1Å
787	V	92.2	Very high	87.3	Confident	7 Å²	7	16.2 Å²	16.2	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-38.8	176.9	174.1	0	0	0	0	111.7	R783 L784 R789 W790 A791 F894 A902 H903	R783-V787 WeakPolarHBondContact O-CG2 3.39Å; R783-V787 PolarHBondContact O-N 3.17Å; L784-V787 PolarHBondContact O-N 3.41Å; V787-R789 VanDerWaalsContact C-N 3.3Å; V787-R789 PolarHBondContact O-N 3.44Å; V787-W790 HydrophobicContact CG2-CE3 4.13Å; V787-W790 HydrophobicContact CG2-CZ3 4.14Å; V787-W790 PolarHBondContact O-N 2.57Å; V787-A791 WeakPolarHBondContact O-CB 3.29Å; V787-A791 PolarHBondContact O-N 2.97Å; V787-F894 HydrophobicContact CG2-CE1 3.64Å; V787-F894 HydrophobicContact CG2-CZ 3.72Å; V787-A902 HydrophobicContact CB-CB 4.03Å; V787-A902 HydrophobicContact CG1-CB 3.78Å; V787-H903 VanDerWaalsContact CG1-CD2 3.48Å; V787-H903 WeakPolarHBondContact CG1-CD2 3.35Å; V787-H903 WeakPolarHBondContact CG1-NE2 3.1Å
788	L	93.4	Very high	88.6	Confident	16 Å²	16	17.8 Å²	17.8	8%	0.084	8%	0.081	C	C	.	.	H	α-helix	trans	-57.5	-43.8	175.4	174.6	69.2	0	0	0	111	L784 Q786 A791 L792 A902 F905 A906 L947	L784-L788 WeakPolarHBondContact O-CB 3.44Å; L784-L788 PolarHBondContact O-N 3.3Å; Q786-L788 VanDerWaalsContact C-N 3.31Å; Q786-L788 PolarHBondContact O-N 3.24Å; L788-A791 PolarHBondContact O-N 3.42Å; L788-L792 VanDerWaalsContact O-CB 3.25Å; L788-L792 WeakPolarHBondContact O-CB 3.08Å; L788-L792 PolarHBondContact O-N 3.37Å; L788-A902 HydrophobicContact CB-CB 4.03Å; L788-A902 WeakPolarHBondContact CD1-O 3.17Å; L788-F905 HydrophobicContact CD1-CB 3.8Å; L788-A906 HydrophobicContact CD1-CB 3.95Å; L788-L947 HydrophobicContact CB-CD1 4.46Å; L788-L947 HydrophobicContact CD2-CD1 4.21Å; L788-L947 HydrophobicContact CD2-CD2 4.33Å
789	R	88.8	Confident	89.6	Confident	48 Å²	48	19.7 Å²	19.7	18%	0.181	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-43.3	178.1	-73.9	-177.3	-73.2	102.6	-14.2	112	V745 H785 Q786 V787 L792 G793 F922 T925	V745-R789 HydrophobicContact CG1-CB 4.3Å; H785-R789 WeakPolarHBondContact O-CG 3.47Å; H785-R789 PolarHBondContact O-N 3.36Å; H785-R789 VanDerWaalsContact O-N 3.14Å; Q786-R789 WeakPolarHBondContact O-CB 3.43Å; Q786-R789 PolarHBondContact O-N 3.47Å; V787-R789 VanDerWaalsContact C-N 3.3Å; V787-R789 PolarHBondContact O-N 3.44Å; R789-L792 PolarHBondContact O-N 3.11Å; R789-G793 PolarHBondContact O-N 3.44Å; R789-F922 HydrophobicContact CG-CE2 4.4Å; R789-T925 PolarHBondContact NH2-OG1 2.8Å; R789-T925 VanDerWaalsContact NH2-OG1 3.07Å
790	W	92.6	Very high	90.2	Very high	77 Å²	77	20.6 Å²	20.6	29%	0.292	10%	0.095	S	C	.	.	H	α-helix	trans	-64	-45.2	177.1	-59.9	-28.5	0	0	0	111.8	R783 Q786 V787 G793 S794	R783-W790 VanDerWaalsContact NH1-CH2 3.31Å; Q786-W790 HydrophobicContact CG-CD2 4.19Å; Q786-W790 HydrophobicContact CG-CE3 4.48Å; Q786-W790 HydrophobicContact CG-CH2 3.74Å; Q786-W790 HydrophobicContact CG-CZ2 3.39Å; Q786-W790 HydrophobicContact CG-CZ3 4.27Å; Q786-W790 PolarHBondContact O-N 3.1Å; V787-W790 HydrophobicContact CG2-CE3 4.13Å; V787-W790 HydrophobicContact CG2-CZ3 4.14Å; V787-W790 PolarHBondContact O-N 2.57Å; W790-G793 PolarHBondContact O-N 3.48Å; W790-S794 PolarHBondContact O-N 3.23Å; W790-S794 PolarHBondContact O-OG 3.29Å
791	A	95.3	Very high	90.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-39.8	178.3	0	0	0	0	0	112	V787 L788 S794 V795 Y827 P828 A906	V787-A791 WeakPolarHBondContact O-CB 3.29Å; V787-A791 PolarHBondContact O-N 2.97Å; L788-A791 PolarHBondContact O-N 3.42Å; A791-S794 WeakPolarHBondContact O-CB 3.39Å; A791-S794 PolarHBondContact O-N 3.42Å; A791-V795 WeakPolarHBondContact O-CG2 3.32Å; A791-V795 PolarHBondContact O-N 3.2Å; A791-Y827 VanDerWaalsContact CA-OH 3.24Å; A791-Y827 WeakPolarHBondContact CA-OH 3.38Å; A791-Y827 HydrophobicContact CB-CE2 4.41Å; A791-Y827 PolarHBondContact N-OH 2.77Å; A791-P828 HydrophobicContact CB-CB 4.13Å; A791-P828 HydrophobicContact CB-CG 4.07Å; A791-A906 HydrophobicContact CB-CB 3.43Å; A791-A906 VanDerWaalsContact CB-CB 3.43Å
792	L	91.9	Very high	90.9	Very high	11 Å²	11	28.1 Å²	28.1	6%	0.058	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-46.8	175.6	-179.5	63.4	0	0	0	110.8	L788 R789 S794 V795 E796 A906 Q909	L788-L792 VanDerWaalsContact O-CB 3.25Å; L788-L792 WeakPolarHBondContact O-CB 3.08Å; L788-L792 PolarHBondContact O-N 3.37Å; R789-L792 PolarHBondContact O-N 3.11Å; L792-S794 VanDerWaalsContact C-N 3.31Å; L792-S794 PolarHBondContact O-N 2.68Å; L792-V795 PolarHBondContact O-N 3Å; L792-V795 VanDerWaalsContact O-N 3.15Å; L792-E796 WeakPolarHBondContact O-CG 3.43Å; L792-E796 PolarHBondContact O-N 2.75Å; L792-A906 HydrophobicContact CB-CB 4.26Å; L792-Q909 HydrophobicContact CD1-CB 4.01Å
793	G	91.6	Very high	91.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-40.7	176.6	0	0	0	0	0	112.9	S744 T746 R789 W790 E796 I797	S744-G793 WeakPolarHBondContact OG-CA 3.44Å; S744-G793 PolarHBondContact OG-O 3.04Å; T746-G793 WeakPolarHBondContact OG1-CA 3.18Å; R789-G793 PolarHBondContact O-N 3.44Å; W790-G793 PolarHBondContact O-N 3.48Å; G793-E796 WeakPolarHBondContact O-CB 3.41Å; G793-E796 PolarHBondContact O-N 3.03Å; G793-I797 WeakPolarHBondContact O-CG1 3.47Å; G793-I797 PolarHBondContact O-N 3.02Å
794	S	95	Very high	91.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-42.7	173	-76.4	0	0	0	0	113.3	W790 A791 L792 I797 F798 T824 Y827	W790-S794 PolarHBondContact O-N 3.23Å; W790-S794 PolarHBondContact O-OG 3.29Å; A791-S794 WeakPolarHBondContact O-CB 3.39Å; A791-S794 PolarHBondContact O-N 3.42Å; L792-S794 VanDerWaalsContact C-N 3.31Å; L792-S794 PolarHBondContact O-N 2.68Å; S794-I797 PolarHBondContact O-N 3.28Å; S794-F798 PolarHBondContact O-N 2.76Å; S794-T824 VanDerWaalsContact CB-O 3.28Å; S794-T824 WeakPolarHBondContact CB-O 3.48Å; S794-T824 PolarHBondContact OG-O 3.34Å; S794-Y827 WeakPolarHBondContact OG-CE1 3.25Å
795	V	94.2	Very high	91.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-38.5	176.6	175.3	0	0	0	0	111	A791 L792 I797 F798 F799 P828 F829 V907	A791-V795 WeakPolarHBondContact O-CG2 3.32Å; A791-V795 PolarHBondContact O-N 3.2Å; L792-V795 PolarHBondContact O-N 3Å; L792-V795 VanDerWaalsContact O-N 3.15Å; V795-I797 VanDerWaalsContact C-N 3.34Å; V795-I797 PolarHBondContact O-N 2.58Å; V795-F798 WeakPolarHBondContact O-CB 3.41Å; V795-F798 PolarHBondContact O-N 3.43Å; V795-F799 HydrophobicContact CG1-CD2 3.81Å; V795-F799 HydrophobicContact CG1-CE2 3.73Å; V795-F799 WeakPolarHBondContact O-CD2 3.44Å; V795-F799 PolarHBondContact O-N 3.37Å; V795-F799 VanDerWaalsContact O-N 3.17Å; V795-P828 HydrophobicContact CG2-CB 3.81Å; V795-P828 HydrophobicContact CG2-CG 4.06Å; V795-F829 HydrophobicContact CG1-CZ 4.32Å; V795-F829 HydrophobicContact CG2-CE2 4.3Å; V795-F829 HydrophobicContact CG2-CZ 4.36Å; V795-V907 HydrophobicContact CG2-CG2 4.24Å
796	E	92.1	Very high	91.8	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.065	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-44	173.6	-71	173.9	156.3	0	0	111.2	S744 V745 L792 G793 F798 F799 S800 K913	S744-E796 VanDerWaalsContact CA-OE2 3.27Å; S744-E796 WeakPolarHBondContact CA-OE2 3.32Å; V745-E796 PolarHBondContact N-OE2 2.92Å; L792-E796 WeakPolarHBondContact O-CG 3.43Å; L792-E796 PolarHBondContact O-N 2.75Å; G793-E796 WeakPolarHBondContact O-CB 3.41Å; G793-E796 PolarHBondContact O-N 3.03Å; E796-F798 VanDerWaalsContact C-N 3.33Å; E796-F798 PolarHBondContact O-N 3.01Å; E796-F799 PolarHBondContact O-N 3.3Å; E796-S800 WeakPolarHBondContact O-CB 3.37Å; E796-S800 PolarHBondContact O-N 3.49Å; E796-K913 WeakPolarHBondContact OE1-CD 3.46Å; E796-K913 IonicContact OE1-NZ 3.08Å; E796-K913 PolarHBondContact OE1-NZ 3.02Å
797	I	92.8	Very high	91.9	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-40.1	176	-63.9	166.5	0	0	0	110.9	L750 G793 S794 V795 F799 S800 I825	L750-I797 HydrophobicContact CB-CD1 4.01Å; L750-I797 HydrophobicContact CB-CG1 4.41Å; L750-I797 HydrophobicContact CD1-CG2 4.48Å; G793-I797 WeakPolarHBondContact O-CG1 3.47Å; G793-I797 PolarHBondContact O-N 3.02Å; S794-I797 PolarHBondContact O-N 3.28Å; V795-I797 VanDerWaalsContact C-N 3.34Å; V795-I797 PolarHBondContact O-N 2.58Å; I797-F799 VanDerWaalsContact C-N 3.3Å; I797-F799 PolarHBondContact O-N 3.5Å; I797-S800 WeakPolarHBondContact O-CB 3.45Å; I797-S800 PolarHBondContact O-N 2.95Å; I797-S800 VanDerWaalsContact O-N 3.09Å; I797-S800 PolarHBondContact O-OG 3.47Å; I797-I825 HydrophobicContact CB-CG2 4Å; I797-I825 HydrophobicContact CG2-CG2 3.67Å
798	F	94.8	Very high	91.5	Very high	45 Å²	45	36.5 Å²	36.5	20%	0.197	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-42.7	178	-179.3	-88	0	0	0	112.5	S794 V795 E796 L805 I825 V826 F829	S794-F798 PolarHBondContact O-N 2.76Å; V795-F798 WeakPolarHBondContact O-CB 3.41Å; V795-F798 PolarHBondContact O-N 3.43Å; E796-F798 VanDerWaalsContact C-N 3.33Å; E796-F798 PolarHBondContact O-N 3.01Å; F798-L805 HydrophobicContact CD2-CD1 4.45Å; F798-L805 HydrophobicContact CE2-CD1 3.82Å; F798-L805 HydrophobicContact CZ-CD1 4.49Å; F798-I825 HydrophobicContact CB-CB 4.33Å; F798-I825 HydrophobicContact CD2-CD1 3.86Å; F798-I825 HydrophobicContact CD2-CG1 4.36Å; F798-V826 HydrophobicContact CE2-CG2 4.37Å; F798-F829 HydrophobicContact CB-CE2 4.29Å; F798-F829 HydrophobicContact CD1-CE2 4.03Å; F798-F829 AromaticContact CD1-CZ 3.88Å; F798-F829 HydrophobicContact CD1-CZ 3.88Å; F798-F829 AromaticContact CD2-CE2 3.97Å; F798-F829 HydrophobicContact CD2-CE2 3.97Å; F798-F829 HydrophobicContact CE1-CE2 4.36Å; F798-F829 HydrophobicContact CE1-CZ 4.11Å; F798-F829 HydrophobicContact CE2-CE2 4.31Å; F798-F829 AromaticContact CG-CE2 3.83Å; F798-F829 HydrophobicContact CG-CE2 3.83Å; F798-F829 HydrophobicContact CG-CZ 4.16Å
799	F	91.5	Very high	91	Very high	82 Å²	82	44.5 Å²	44.5	36%	0.36	19%	0.19	S	C	.	.	H	α-helix	trans	-88.3	-2	177.7	-68.9	-66.4	0	0	0	114.1	V795 E796 I797 F829 L911 V914	V795-F799 HydrophobicContact CG1-CD2 3.81Å; V795-F799 HydrophobicContact CG1-CE2 3.73Å; V795-F799 WeakPolarHBondContact O-CD2 3.44Å; V795-F799 PolarHBondContact O-N 3.37Å; V795-F799 VanDerWaalsContact O-N 3.17Å; E796-F799 PolarHBondContact O-N 3.3Å; I797-F799 VanDerWaalsContact C-N 3.3Å; I797-F799 PolarHBondContact O-N 3.5Å; F799-F829 HydrophobicContact CE2-CZ 4.11Å; F799-F829 HydrophobicContact CZ-CZ 4.32Å; F799-L911 HydrophobicContact CE1-CD2 4.41Å; F799-L911 HydrophobicContact CE2-CD2 3.77Å; F799-L911 HydrophobicContact CE2-CG 4.36Å; F799-L911 HydrophobicContact CZ-CD2 3.46Å; F799-L911 VanDerWaalsContact CZ-CD2 3.46Å; F799-L911 HydrophobicContact CZ-CG 4.46Å; F799-V914 HydrophobicContact CB-CG1 4.19Å; F799-V914 HydrophobicContact CB-CG2 3.63Å; F799-V914 HydrophobicContact CD1-CG1 4.4Å; F799-V914 HydrophobicContact CD2-CG2 3.89Å; F799-V914 HydrophobicContact CG-CB 4.5Å; F799-V914 HydrophobicContact CG-CG1 4.23Å; F799-V914 HydrophobicContact CG-CG2 3.88Å
800	S	89.6	Confident	90.4	Very high	28 Å²	28	46 Å²	46	20%	0.196	22%	0.221	C	C	.	.	S	Bend	trans	-82.5	166.5	177.8	80.5	0	0	0	0	112.8	E796 I797 H802 C803	E796-S800 WeakPolarHBondContact O-CB 3.37Å; E796-S800 PolarHBondContact O-N 3.49Å; I797-S800 WeakPolarHBondContact O-CB 3.45Å; I797-S800 PolarHBondContact O-N 2.95Å; I797-S800 VanDerWaalsContact O-N 3.09Å; I797-S800 PolarHBondContact O-OG 3.47Å; S800-H802 PolarHBondContact O-N 2.94Å; S800-H802 PolarHBondContact OG-N 3.23Å; S800-H802 VanDerWaalsContact OG-N 3.11Å; S800-C803 PolarHBondContact O-N 3.36Å
801	R	87.1	Confident	89.9	Confident	147 Å²	147	44.4 Å²	44.4	56%	0.555	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.3	169.6	-176.8	175.4	174.7	171.6	-3.3	112.7	E657 C803 Y807	E657-R801 IonicContact OE1-CZ 2.82Å; E657-R801 IonicContact OE1-NH1 2.93Å; E657-R801 PolarHBondContact OE1-NH1 3Å; E657-R801 IonicContact OE1-NH2 2.63Å; E657-R801 PolarHBondContact OE1-NH2 3.47Å; E657-R801 VanDerWaalsContact OE1-NH2 3.09Å; E657-R801 IonicContact OE2-CZ 3.47Å; E657-R801 IonicContact OE2-NH1 3.46Å; E657-R801 PolarHBondContact OE2-NH1 3.5Å; E657-R801 IonicContact OE2-NH2 3.26Å; E657-R801 PolarHBondContact OE2-NH2 3.16Å; R801-C803 VanDerWaalsContact C-N 3.28Å; R801-C803 PolarHBondContact O-N 3.38Å; R801-Y807 VanDerWaalsContact O-CD2 3.28Å; R801-Y807 WeakPolarHBondContact O-CD2 3.45Å
802	H	89.6	Confident	89.6	Confident	25 Å²	25	48.9 Å²	48.9	12%	0.116	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	17.2	-176.1	-59.4	-63.3	0	0	0	113.7	L750 F753 S800 P804 Y807	L750-H802 HydrophobicContact CD1-CB 3.42Å; L750-H802 VanDerWaalsContact CD1-CB 3.42Å; F753-H802 WeakPolarHBondContact CE1-O 3.39Å; S800-H802 PolarHBondContact O-N 2.94Å; S800-H802 PolarHBondContact OG-N 3.23Å; S800-H802 VanDerWaalsContact OG-N 3.11Å; H802-P804 VanDerWaalsContact O-CD 3.25Å; H802-P804 WeakPolarHBondContact O-CD 3.39Å; H802-Y807 AromaticContact ND1-CE2 3.78Å; H802-Y807 AromaticContact ND1-CZ 3.79Å
803	C	92.4	Very high	89.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.			trans	-60.2	123.1	178.5	-177.8	0	0	0	0	112.3	S800 R801 L805 W806 Y807 I825	S800-C803 PolarHBondContact O-N 3.36Å; R801-C803 VanDerWaalsContact C-N 3.28Å; R801-C803 PolarHBondContact O-N 3.38Å; C803-L805 PolarHBondContact O-N 3.48Å; C803-W806 HydrophobicContact CB-CD2 4.03Å; C803-W806 VanDerWaalsContact CB-CE2 3.45Å; C803-W806 HydrophobicContact CB-CE3 4.29Å; C803-W806 HydrophobicContact CB-CH2 3.5Å; C803-W806 VanDerWaalsContact CB-CH2 3.5Å; C803-W806 HydrophobicContact CB-CZ2 3.18Å; C803-W806 HydrophobicContact CB-CZ3 4.05Å; C803-W806 PolarHBondContact O-N 3.33Å; C803-W806 VanDerWaalsContact SG-CH2 3.5Å; C803-W806 VanDerWaalsContact SG-CZ3 3.6Å; C803-Y807 WeakPolarHBondContact O-CB 3.5Å; C803-Y807 PolarHBondContact O-N 2.89Å; C803-I825 WeakPolarHBondContact SG-CD1 3.41Å
804	P	93.6	Very high	89.8	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.013	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-14.2	177.2	-28.5	32.8	0	0	0	116.6	F753 H802 R818 I822 I825	F753-P804 HydrophobicContact CD2-CG 4.23Å; F753-P804 HydrophobicContact CE1-CG 4.39Å; F753-P804 HydrophobicContact CE2-CB 3.89Å; F753-P804 HydrophobicContact CE2-CG 3.79Å; F753-P804 HydrophobicContact CZ-CB 4.04Å; F753-P804 HydrophobicContact CZ-CG 3.89Å; H802-P804 VanDerWaalsContact O-CD 3.25Å; H802-P804 WeakPolarHBondContact O-CD 3.39Å; P804-R818 PolarHBondContact O-NH1 3.41Å; P804-I822 HydrophobicContact CB-CG1 3.91Å; P804-I825 HydrophobicContact CB-CD1 4.41Å; P804-I825 HydrophobicContact CG-CD1 4.13Å; P804-I825 HydrophobicContact CG-CG2 4.31Å
805	L	91.6	Very high	89.8	Confident	65 Å²	65	60.2 Å²	60.2	34%	0.34	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-38.2	178.2	-73	167.8	0	0	0	112.9	F798 C803 W809 I822 I825	F798-L805 HydrophobicContact CD2-CD1 4.45Å; F798-L805 HydrophobicContact CE2-CD1 3.82Å; F798-L805 HydrophobicContact CZ-CD1 4.49Å; C803-L805 PolarHBondContact O-N 3.48Å; L805-W809 VanDerWaalsContact O-CE3 3.32Å; L805-W809 WeakPolarHBondContact O-CZ3 3.23Å; L805-I822 HydrophobicContact CD2-CD1 4.01Å; L805-I822 HydrophobicContact CD2-CG1 4.08Å; L805-I822 HydrophobicContact CD2-CG2 4Å; L805-I822 HydrophobicContact CG-CG1 4.46Å; L805-I825 HydrophobicContact CG-CD1 4.39Å
806	W	89.4	Confident	89.8	Confident	142 Å²	142	62 Å²	62	54%	0.538	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-25.1	-178.3	51.7	83.2	0	0	0	113	C803 A808 W809	C803-W806 HydrophobicContact CB-CD2 4.03Å; C803-W806 VanDerWaalsContact CB-CE2 3.45Å; C803-W806 HydrophobicContact CB-CE3 4.29Å; C803-W806 HydrophobicContact CB-CH2 3.5Å; C803-W806 VanDerWaalsContact CB-CH2 3.5Å; C803-W806 HydrophobicContact CB-CZ2 3.18Å; C803-W806 HydrophobicContact CB-CZ3 4.05Å; C803-W806 PolarHBondContact O-N 3.33Å; C803-W806 VanDerWaalsContact SG-CH2 3.5Å; C803-W806 VanDerWaalsContact SG-CZ3 3.6Å; W806-A808 PolarHBondContact O-N 3.32Å; W806-W809 PolarHBondContact O-N 3.05Å
807	Y	89.8	Confident	90	Very high	31 Å²	31	61.3 Å²	61.3	12%	0.122	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	138.1	-175.4	-169	-99.1	0	0	0	112.4	F753 R754 R801 H802 C803 W809 R818	F753-Y807 AromaticContact CE1-CD1 3.58Å; F753-Y807 HydrophobicContact CE1-CD1 3.58Å; F753-Y807 HydrophobicContact CE1-CE1 4.33Å; F753-Y807 HydrophobicContact CE1-CG 4.27Å; F753-Y807 AromaticContact CZ-CD1 3.88Å; F753-Y807 HydrophobicContact CZ-CD1 3.88Å; R754-Y807 PolarHBondContact NE-OH 2.89Å; R754-Y807 PolarHBondContact NH1-OH 3.09Å; R754-Y807 PolarHBondContact NH2-OH 2.89Å; R801-Y807 VanDerWaalsContact O-CD2 3.28Å; R801-Y807 WeakPolarHBondContact O-CD2 3.45Å; H802-Y807 AromaticContact ND1-CE2 3.78Å; H802-Y807 AromaticContact ND1-CZ 3.79Å; C803-Y807 WeakPolarHBondContact O-CB 3.5Å; C803-Y807 PolarHBondContact O-N 2.89Å; Y807-W809 PolarHBondContact O-N 2.94Å; Y807-W809 VanDerWaalsContact O-N 3.16Å; Y807-R818 PolarHBondContact O-NH1 3.48Å; Y807-R818 PolarHBondContact O-NH2 3.12Å; Y807-R818 VanDerWaalsContact O-NH2 3.08Å
808	A	84.9	Confident	90.2	Very high	29 Å²	29	62 Å²	62	24%	0.24	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	33.4	178.8	0	0	0	0	0	114.2	C757 W806 G810 G811 R818	C757-A808 HydrophobicContact CB-CB 3.95Å; W806-A808 PolarHBondContact O-N 3.32Å; A808-G810 PolarHBondContact O-N 3.48Å; A808-G811 WeakPolarHBondContact O-CA 3.06Å; A808-G811 PolarHBondContact O-N 3.1Å; A808-R818 VanDerWaalsContact C-NH2 3.34Å; A808-R818 PolarHBondContact O-NH2 3.08Å
809	W	83.1	Confident	90.3	Very high	183 Å²	183	62 Å²	62	69%	0.693	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	131.3	172.3	-149.7	-92.5	0	0	0	110	L805 W806 Y807 G811	L805-W809 VanDerWaalsContact O-CE3 3.32Å; L805-W809 WeakPolarHBondContact O-CZ3 3.23Å; W806-W809 PolarHBondContact O-N 3.05Å; Y807-W809 PolarHBondContact O-N 2.94Å; Y807-W809 VanDerWaalsContact O-N 3.16Å; W809-G811 VanDerWaalsContact C-N 3.26Å; W809-G811 PolarHBondContact O-N 3.08Å
810	G	75.9	Confident	90.5	Very high	81 Å²	81	58.4 Å²	58.4	84%	0.835	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	5.4	-168.6	0	0	0	0	0	115.1	A808	A808-G810 PolarHBondContact O-N 3.48Å
811	G	81.1	Confident	90.9	Very high	43 Å²	43	57.2 Å²	57.2	44%	0.443	29%	0.289	S	S	.	.	S	Bend	trans	-76.7	-163.1	173.9	0	0	0	0	0	113.8	A808 W809	A808-G811 WeakPolarHBondContact O-CA 3.06Å; A808-G811 PolarHBondContact O-N 3.1Å; W809-G811 VanDerWaalsContact C-N 3.26Å; W809-G811 PolarHBondContact O-N 3.08Å
812	K	89.6	Confident	91.3	Very high	94 Å²	94	51 Å²	51	41%	0.409	27%	0.267	S	S	.	.	S	Bend	trans	-93.4	6.5	-177.5	-60.5	-179.7	-164.1	162.1	0	114	E585 R758	E585-K812 IonicContact OE2-NZ 3.7Å; E585-K812 PolarHBondContact OE2-NZ 3.27Å; R758-K812 WeakPolarHBondContact O-CD 3.45Å
813	L	94	Very high	91.6	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.073	27%	0.269	C	S	.	.			trans	-74.8	125	175.9	-171.3	68.9	0	0	0	110.2	F753 H756 E817 R818 Y821	F753-L813 HydrophobicContact CD2-CD2 4.34Å; F753-L813 HydrophobicContact CE2-CD2 3.7Å; H756-L813 HydrophobicContact CB-CD1 3.66Å; L813-E817 HydrophobicContact CD1-CB 4.06Å; L813-E817 HydrophobicContact CD1-CG 3.67Å; L813-E817 HydrophobicContact CG-CB 4.44Å; L813-R818 HydrophobicContact CD2-CB 3.76Å; L813-R818 HydrophobicContact CD2-CG 4.14Å; L813-R818 HydrophobicContact CG-CB 4.25Å; L813-Y821 HydrophobicContact CD1-CD2 4.32Å; L813-Y821 HydrophobicContact CD1-CE2 4.23Å
814	K	93.5	Very high	91.7	Very high	96 Å²	96	52.6 Å²	52.6	42%	0.417	28%	0.278	S	S	.	.			trans	-65.4	151.5	177	-69.6	-173.5	175.3	-176	0	111.5	I564 Q565 E817 R818	I564-K814 HydrophobicContact CG2-CB 4.01Å; I564-K814 HydrophobicContact CG2-CD 3.76Å; I564-K814 PolarHBondContact O-NZ 3.38Å; Q565-K814 HydrophobicContact CB-CD 4.21Å; Q565-K814 HydrophobicContact CB-CG 4.49Å; K814-E817 HydrophobicContact CB-CB 4.02Å; K814-E817 WeakPolarHBondContact O-CB 3.31Å; K814-E817 PolarHBondContact O-N 2.86Å; K814-R818 PolarHBondContact O-N 3.29Å
815	I	94.8	Very high	91.8	Very high	140 Å²	140	52.6 Å²	52.6	72%	0.718	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-48.5	-176.8	-63.4	165.2	0	0	0	111.7	E817 R818 L819	I815-E817 VanDerWaalsContact C-N 3.29Å; I815-E817 PolarHBondContact O-N 3.23Å; I815-R818 WeakPolarHBondContact O-CB 3.22Å; I815-R818 PolarHBondContact O-N 3.02Å; I815-L819 PolarHBondContact O-N 2.65Å
816	L	95.5	Very high	92	Very high	36 Å²	36	50.4 Å²	50.4	19%	0.188	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-34.9	178.5	-63.5	179.6	0	0	0	112.2	F263 W266 F267 I564 L819 A820	F263-L816 HydrophobicContact CB-CD2 4.14Å; F263-L816 HydrophobicContact CD1-CD2 4.44Å; W266-L816 HydrophobicContact CB-CD1 4.23Å; F267-L816 HydrophobicContact CD2-CD1 3.99Å; F267-L816 HydrophobicContact CE2-CD1 3.9Å; I564-L816 HydrophobicContact CD1-CB 3.59Å; I564-L816 HydrophobicContact CD1-CD1 4.12Å; I564-L816 HydrophobicContact CG1-CB 4.25Å; I564-L816 HydrophobicContact CG1-CD1 4.3Å; I564-L816 HydrophobicContact CG2-CB 4.09Å; L816-L819 HydrophobicContact CD2-CD1 4.22Å; L816-L819 PolarHBondContact O-N 3.3Å; L816-A820 PolarHBondContact O-N 3.28Å; L816-A820 VanDerWaalsContact O-N 3.16Å
817	E	96.4	Very high	92.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-42.9	173.8	-164.8	66.3	-145.3	0	0	110.8	I564 Q565 H756 L813 K814 I815 L819 A820 Y821	I564-E817 HydrophobicContact CG2-CB 4.1Å; Q565-E817 HydrophobicContact CB-CB 4.17Å; Q565-E817 HydrophobicContact CB-CG 3.85Å; Q565-E817 WeakPolarHBondContact CB-OE2 3.46Å; Q565-E817 PolarHBondContact N-OE2 3.01Å; H756-E817 IonicContact CE1-OE1 3.26Å; H756-E817 IonicContact ND1-OE1 2.74Å; L813-E817 HydrophobicContact CD1-CB 4.06Å; L813-E817 HydrophobicContact CD1-CG 3.67Å; L813-E817 HydrophobicContact CG-CB 4.44Å; K814-E817 HydrophobicContact CB-CB 4.02Å; K814-E817 WeakPolarHBondContact O-CB 3.31Å; K814-E817 PolarHBondContact O-N 2.86Å; I815-E817 VanDerWaalsContact C-N 3.29Å; I815-E817 PolarHBondContact O-N 3.23Å; E817-L819 VanDerWaalsContact C-N 3.33Å; E817-L819 PolarHBondContact O-N 3.44Å; E817-A820 WeakPolarHBondContact O-CB 3.47Å; E817-A820 PolarHBondContact O-N 2.95Å; E817-A820 VanDerWaalsContact O-N 3.12Å; E817-Y821 HydrophobicContact CG-CD2 4.13Å; E817-Y821 HydrophobicContact CG-CE2 3.86Å; E817-Y821 WeakPolarHBondContact O-CD2 3.32Å; E817-Y821 PolarHBondContact O-N 3.06Å
818	R	96	Very high	92.5	Very high	20 Å²	20	44.9 Å²	44.9	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-42.1	174.3	-176.5	176.8	-68.2	-90.3	-0.4	111.9	P804 Y807 A808 L813 K814 I815 A820 Y821 I822	P804-R818 PolarHBondContact O-NH1 3.41Å; Y807-R818 PolarHBondContact O-NH1 3.48Å; Y807-R818 PolarHBondContact O-NH2 3.12Å; Y807-R818 VanDerWaalsContact O-NH2 3.08Å; A808-R818 VanDerWaalsContact C-NH2 3.34Å; A808-R818 PolarHBondContact O-NH2 3.08Å; L813-R818 HydrophobicContact CD2-CB 3.76Å; L813-R818 HydrophobicContact CD2-CG 4.14Å; L813-R818 HydrophobicContact CG-CB 4.25Å; K814-R818 PolarHBondContact O-N 3.29Å; I815-R818 WeakPolarHBondContact O-CB 3.22Å; I815-R818 PolarHBondContact O-N 3.02Å; R818-A820 VanDerWaalsContact C-N 3.27Å; R818-A820 PolarHBondContact O-N 3.38Å; R818-Y821 PolarHBondContact O-N 3.17Å; R818-I822 HydrophobicContact CG-CD1 3.84Å; R818-I822 HydrophobicContact CG-CG1 4.32Å; R818-I822 WeakPolarHBondContact O-CB 3.38Å; R818-I822 VanDerWaalsContact O-CG1 3.26Å; R818-I822 WeakPolarHBondContact O-CG1 3.42Å; R818-I822 PolarHBondContact O-N 3.13Å
819	L	96.1	Very high	93.1	Very high	43 Å²	43	44.9 Å²	44.9	23%	0.225	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-38.9	175.4	-65	-179.9	0	0	0	111.6	L260 F263 P264 I815 L816 E817 I822 N823	L260-L819 HydrophobicContact CD2-CB 4.44Å; L260-L819 HydrophobicContact CD2-CD2 3.94Å; F263-L819 HydrophobicContact CB-CD1 4.01Å; P264-L819 HydrophobicContact CG-CB 4.25Å; I815-L819 PolarHBondContact O-N 2.65Å; L816-L819 HydrophobicContact CD2-CD1 4.22Å; L816-L819 PolarHBondContact O-N 3.3Å; E817-L819 VanDerWaalsContact C-N 3.33Å; E817-L819 PolarHBondContact O-N 3.44Å; L819-I822 PolarHBondContact O-N 2.95Å; L819-N823 WeakPolarHBondContact O-CB 3.5Å; L819-N823 PolarHBondContact O-N 2.88Å
820	A	96.6	Very high	93.7	Very high	8 Å²	8	36.6 Å²	36.6	7%	0.066	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-44.8	176	0	0	0	0	0	112.8	P264 L561 L816 E817 R818 N823 T824	P264-A820 HydrophobicContact CB-CB 3.88Å; P264-A820 HydrophobicContact CG-CB 3.8Å; L561-A820 HydrophobicContact CD2-CB 3.41Å; L561-A820 VanDerWaalsContact CD2-CB 3.41Å; L816-A820 PolarHBondContact O-N 3.28Å; L816-A820 VanDerWaalsContact O-N 3.16Å; E817-A820 WeakPolarHBondContact O-CB 3.47Å; E817-A820 PolarHBondContact O-N 2.95Å; E817-A820 VanDerWaalsContact O-N 3.12Å; R818-A820 VanDerWaalsContact C-N 3.27Å; R818-A820 PolarHBondContact O-N 3.38Å; A820-N823 WeakPolarHBondContact O-CB 3.39Å; A820-N823 PolarHBondContact O-N 2.89Å; A820-T824 PolarHBondContact O-N 3.27Å; A820-T824 PolarHBondContact O-OG1 3.13Å
821	Y	97.1	Very high	94.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-38.4	175.4	-78.9	-69.9	0	0	0	112.3	V568 I749 F753 H756 L813 E817 R818 N823 T824 I825	V568-Y821 HydrophobicContact CB-CE1 4.36Å; V568-Y821 HydrophobicContact CG1-CD1 4.29Å; V568-Y821 HydrophobicContact CG1-CE1 3.59Å; V568-Y821 HydrophobicContact CG1-CE2 4.31Å; I749-Y821 HydrophobicContact CG2-CD1 4.32Å; I749-Y821 HydrophobicContact CG2-CE1 4.25Å; F753-Y821 WeakPolarHBondContact CA-OH 3.38Å; F753-Y821 HydrophobicContact CB-CD1 3.86Å; F753-Y821 HydrophobicContact CB-CE1 3.51Å; F753-Y821 AromaticContact CD2-CD1 3.78Å; F753-Y821 HydrophobicContact CD2-CD1 3.78Å; F753-Y821 AromaticContact CD2-CD2 3.72Å; F753-Y821 HydrophobicContact CD2-CD2 3.72Å; F753-Y821 HydrophobicContact CD2-CE1 4.09Å; F753-Y821 HydrophobicContact CD2-CE2 4.04Å; F753-Y821 AromaticContact CD2-CG 3.58Å; F753-Y821 HydrophobicContact CD2-CG 3.58Å; F753-Y821 HydrophobicContact CE2-CD2 4.39Å; F753-Y821 HydrophobicContact CE2-CG 4.27Å; F753-Y821 HydrophobicContact CG-CD1 4.19Å; F753-Y821 HydrophobicContact CG-CE1 4.27Å; F753-Y821 HydrophobicContact CG-CG 4.43Å; F753-Y821 PolarHBondContact N-OH 2.97Å; H756-Y821 HydrophobicContact CB-CE2 4.37Å; H756-Y821 PolarHBondContact CE1-OH 3.1Å; H756-Y821 VanDerWaalsContact CE1-OH 3.25Å; H756-Y821 AromaticContact ND1-CE2 3.49Å; H756-Y821 WeakPolarHBondContact ND1-CE2 3.2Å; H756-Y821 AromaticContact ND1-CZ 3.62Å; H756-Y821 PolarHBondContact ND1-OH 3.03Å; L813-Y821 HydrophobicContact CD1-CD2 4.32Å; L813-Y821 HydrophobicContact CD1-CE2 4.23Å; E817-Y821 HydrophobicContact CG-CD2 4.13Å; E817-Y821 HydrophobicContact CG-CE2 3.86Å; E817-Y821 WeakPolarHBondContact O-CD2 3.32Å; E817-Y821 PolarHBondContact O-N 3.06Å; R818-Y821 PolarHBondContact O-N 3.17Å; Y821-N823 VanDerWaalsContact C-N 3.35Å; Y821-T824 WeakPolarHBondContact O-CB 3.42Å; Y821-T824 PolarHBondContact O-N 3.45Å; Y821-I825 PolarHBondContact O-N 3.36Å
822	I	96.6	Very high	95.4	Very high	18 Å²	18	35.1 Å²	35.1	9%	0.092	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-45.8	172.4	-69.2	166.9	0	0	0	110.1	L260 P804 L805 R818 L819 T824 I825 V826	L260-I822 HydrophobicContact CD1-CG2 4.03Å; L260-I822 HydrophobicContact CD2-CB 4.42Å; L260-I822 HydrophobicContact CD2-CG2 3.96Å; P804-I822 HydrophobicContact CB-CG1 3.91Å; L805-I822 HydrophobicContact CD2-CD1 4.01Å; L805-I822 HydrophobicContact CD2-CG1 4.08Å; L805-I822 HydrophobicContact CD2-CG2 4Å; L805-I822 HydrophobicContact CG-CG1 4.46Å; R818-I822 HydrophobicContact CG-CD1 3.84Å; R818-I822 HydrophobicContact CG-CG1 4.32Å; R818-I822 WeakPolarHBondContact O-CB 3.38Å; R818-I822 VanDerWaalsContact O-CG1 3.26Å; R818-I822 WeakPolarHBondContact O-CG1 3.42Å; R818-I822 PolarHBondContact O-N 3.13Å; L819-I822 PolarHBondContact O-N 2.95Å; I822-T824 PolarHBondContact O-N 3.35Å; I822-I825 WeakPolarHBondContact O-CG1 3.45Å; I822-I825 PolarHBondContact O-N 2.9Å; I822-V826 HydrophobicContact CG2-CG2 4.01Å; I822-V826 WeakPolarHBondContact O-CB 3.47Å; I822-V826 WeakPolarHBondContact O-CG2 3.45Å; I822-V826 PolarHBondContact O-N 3.49Å
823	N	96.4	Very high	95.8	Very high	28 Å²	28	31.2 Å²	31.2	15%	0.15	16%	0.156	C	C	.	.	H	α-helix	trans	-55.4	-44.3	176.2	-164.2	28.6	0	0	0	111.4	L260 L819 A820 Y821 I825 V826 Y827	L260-N823 HydrophobicContact CB-CB 3.88Å; L819-N823 WeakPolarHBondContact O-CB 3.5Å; L819-N823 PolarHBondContact O-N 2.88Å; A820-N823 WeakPolarHBondContact O-CB 3.39Å; A820-N823 PolarHBondContact O-N 2.89Å; Y821-N823 VanDerWaalsContact C-N 3.35Å; N823-I825 VanDerWaalsContact C-N 3.28Å; N823-I825 PolarHBondContact O-N 3.44Å; N823-V826 PolarHBondContact O-N 3.02Å; N823-Y827 WeakPolarHBondContact O-CB 3.31Å; N823-Y827 PolarHBondContact O-N 3.27Å
824	T	94.7	Very high	95.9	Very high	30 Å²	30	30.9 Å²	30.9	18%	0.184	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-25.9	-178.1	-54.3	0	0	0	0	113.6	I749 S794 A820 Y821 I822 Y827	I749-T824 HydrophobicContact CD1-CG2 3.81Å; I749-T824 HydrophobicContact CG2-CG2 3.93Å; S794-T824 VanDerWaalsContact CB-O 3.28Å; S794-T824 WeakPolarHBondContact CB-O 3.48Å; S794-T824 PolarHBondContact OG-O 3.34Å; A820-T824 PolarHBondContact O-N 3.27Å; A820-T824 PolarHBondContact O-OG1 3.13Å; Y821-T824 WeakPolarHBondContact O-CB 3.42Å; Y821-T824 PolarHBondContact O-N 3.45Å; I822-T824 PolarHBondContact O-N 3.35Å; T824-Y827 WeakPolarHBondContact O-CD1 3.36Å; T824-Y827 WeakPolarHBondContact O-CE1 3.31Å
825	I	94.7	Very high	96	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-95.7	-24.9	176.4	60.8	159.6	0	0	0	112.9	I797 F798 C803 P804 L805 Y821 I822 N823 P828	I797-I825 HydrophobicContact CB-CG2 4Å; I797-I825 HydrophobicContact CG2-CG2 3.67Å; F798-I825 HydrophobicContact CB-CB 4.33Å; F798-I825 HydrophobicContact CD2-CD1 3.86Å; F798-I825 HydrophobicContact CD2-CG1 4.36Å; C803-I825 WeakPolarHBondContact SG-CD1 3.41Å; P804-I825 HydrophobicContact CB-CD1 4.41Å; P804-I825 HydrophobicContact CG-CD1 4.13Å; P804-I825 HydrophobicContact CG-CG2 4.31Å; L805-I825 HydrophobicContact CG-CD1 4.39Å; Y821-I825 PolarHBondContact O-N 3.36Å; I822-I825 WeakPolarHBondContact O-CG1 3.45Å; I822-I825 PolarHBondContact O-N 2.9Å; N823-I825 VanDerWaalsContact C-N 3.28Å; N823-I825 PolarHBondContact O-N 3.44Å; I825-P828 WeakPolarHBondContact O-CD 3.48Å
826	V	94.9	Very high	96	Very high	18 Å²	18	23.4 Å²	23.4	11%	0.109	12%	0.124	C	C	.	.	H	α-helix	trans	-88.9	-27.2	-176.9	173.5	0	0	0	0	112.3	W253 F798 I822 N823 P828 F829	W253-V826 HydrophobicContact CH2-CG1 3.91Å; W253-V826 HydrophobicContact CZ2-CG1 3.53Å; F798-V826 HydrophobicContact CE2-CG2 4.37Å; I822-V826 HydrophobicContact CG2-CG2 4.01Å; I822-V826 WeakPolarHBondContact O-CB 3.47Å; I822-V826 WeakPolarHBondContact O-CG2 3.45Å; I822-V826 PolarHBondContact O-N 3.49Å; N823-V826 PolarHBondContact O-N 3.02Å; V826-P828 VanDerWaalsContact C-N 3.31Å; V826-P828 WeakPolarHBondContact O-CD 3.31Å; V826-P828 VanDerWaalsContact O-N 3.11Å; V826-F829 WeakPolarHBondContact O-CB 3.31Å; V826-F829 PolarHBondContact O-N 2.79Å
827	Y	94.8	Very high	95.9	Very high	58 Å²	58	25.4 Å²	25.4	23%	0.227	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-54.2	-32.5	-174.2	86.6	-92.1	0	0	0	115.8	A791 S794 N823 T824 F829 T830 H903	A791-Y827 VanDerWaalsContact CA-OH 3.24Å; A791-Y827 WeakPolarHBondContact CA-OH 3.38Å; A791-Y827 HydrophobicContact CB-CE2 4.41Å; A791-Y827 PolarHBondContact N-OH 2.77Å; S794-Y827 WeakPolarHBondContact OG-CE1 3.25Å; N823-Y827 WeakPolarHBondContact O-CB 3.31Å; N823-Y827 PolarHBondContact O-N 3.27Å; T824-Y827 WeakPolarHBondContact O-CD1 3.36Å; T824-Y827 WeakPolarHBondContact O-CE1 3.31Å; Y827-F829 PolarHBondContact O-N 2.76Å; Y827-T830 VanDerWaalsContact O-CB 3.26Å; Y827-T830 WeakPolarHBondContact O-CB 3.44Å; Y827-T830 PolarHBondContact O-N 2.84Å; Y827-T830 VanDerWaalsContact O-N 3.15Å; Y827-T830 PolarHBondContact O-OG1 2.76Å; Y827-H903 AromaticContact CD2-CE1 3.68Å; Y827-H903 AromaticContact CD2-ND1 3.9Å; Y827-H903 AromaticContact CE2-CD2 3.88Å; Y827-H903 AromaticContact CE2-CE1 3.53Å; Y827-H903 AromaticContact CE2-ND1 3.94Å; Y827-H903 AromaticContact CE2-NE2 3.48Å; Y827-H903 WeakPolarHBondContact CE2-NE2 3.48Å
828	P	96.7	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-63.8	-32.5	178.2	-23.8	37.3	0	0	0	112.1	A791 V795 I825 V826 T830 S831 V907	A791-P828 HydrophobicContact CB-CB 4.13Å; A791-P828 HydrophobicContact CB-CG 4.07Å; V795-P828 HydrophobicContact CG2-CB 3.81Å; V795-P828 HydrophobicContact CG2-CG 4.06Å; I825-P828 WeakPolarHBondContact O-CD 3.48Å; V826-P828 VanDerWaalsContact C-N 3.31Å; V826-P828 WeakPolarHBondContact O-CD 3.31Å; V826-P828 VanDerWaalsContact O-N 3.11Å; P828-T830 PolarHBondContact O-N 2.74Å; P828-S831 WeakPolarHBondContact O-CB 3.17Å; P828-S831 PolarHBondContact O-N 2.98Å; P828-S831 VanDerWaalsContact O-N 3.11Å; P828-S831 PolarHBondContact O-OG 3.31Å; P828-V907 HydrophobicContact CB-CG2 3.98Å; P828-V907 WeakPolarHBondContact O-CG2 3.42Å
829	F	96.6	Very high	95.7	Very high	28 Å²	28	26.7 Å²	26.7	12%	0.123	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-69.3	-19.2	178.9	-63.8	-83.9	0	0	0	112.8	W253 V795 F798 F799 V826 Y827 S831 I832 P833 V907	W253-F829 HydrophobicContact CH2-CB 3.79Å; W253-F829 HydrophobicContact CZ2-CB 3.52Å; V795-F829 HydrophobicContact CG1-CZ 4.32Å; V795-F829 HydrophobicContact CG2-CE2 4.3Å; V795-F829 HydrophobicContact CG2-CZ 4.36Å; F798-F829 HydrophobicContact CB-CE2 4.29Å; F798-F829 HydrophobicContact CD1-CE2 4.03Å; F798-F829 AromaticContact CD1-CZ 3.88Å; F798-F829 HydrophobicContact CD1-CZ 3.88Å; F798-F829 AromaticContact CD2-CE2 3.97Å; F798-F829 HydrophobicContact CD2-CE2 3.97Å; F798-F829 HydrophobicContact CE1-CE2 4.36Å; F798-F829 HydrophobicContact CE1-CZ 4.11Å; F798-F829 HydrophobicContact CE2-CE2 4.31Å; F798-F829 AromaticContact CG-CE2 3.83Å; F798-F829 HydrophobicContact CG-CE2 3.83Å; F798-F829 HydrophobicContact CG-CZ 4.16Å; F799-F829 HydrophobicContact CE2-CZ 4.11Å; F799-F829 HydrophobicContact CZ-CZ 4.32Å; V826-F829 WeakPolarHBondContact O-CB 3.31Å; V826-F829 PolarHBondContact O-N 2.79Å; Y827-F829 PolarHBondContact O-N 2.76Å; F829-S831 PolarHBondContact O-N 2.76Å; F829-S831 VanDerWaalsContact O-N 3.13Å; F829-I832 PolarHBondContact O-N 2.98Å; F829-P833 VanDerWaalsContact O-CD 3.23Å; F829-P833 WeakPolarHBondContact O-CD 3.36Å; F829-V907 HydrophobicContact CD1-CG1 3.95Å; F829-V907 HydrophobicContact CD1-CG2 4.04Å; F829-V907 HydrophobicContact CE1-CG1 3.92Å; F829-V907 HydrophobicContact CE1-CG2 4.35Å; F829-V907 HydrophobicContact CG-CG2 4.34Å
830	T	96.1	Very high	95.4	Very high	10 Å²	10	25.3 Å²	25.3	6%	0.061	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.8	170.7	-53.1	0	0	0	0	112.6	W253 F254 S257 Y827 P828 I832 P833 L834 W895	W253-T830 VanDerWaalsContact NE1-CA 3.34Å; W253-T830 PolarHBondContact NE1-OG1 3.24Å; F254-T830 HydrophobicContact CD1-CG2 4.13Å; F254-T830 HydrophobicContact CE1-CG2 3.91Å; S257-T830 PolarHBondContact OG-OG1 2.74Å; Y827-T830 VanDerWaalsContact O-CB 3.26Å; Y827-T830 WeakPolarHBondContact O-CB 3.44Å; Y827-T830 PolarHBondContact O-N 2.84Å; Y827-T830 VanDerWaalsContact O-N 3.15Å; Y827-T830 PolarHBondContact O-OG1 2.76Å; P828-T830 PolarHBondContact O-N 2.74Å; T830-I832 VanDerWaalsContact C-N 3.3Å; T830-I832 PolarHBondContact O-N 3.31Å; T830-P833 VanDerWaalsContact O-CD 3.31Å; T830-P833 WeakPolarHBondContact O-CD 3.34Å; T830-P833 WeakPolarHBondContact O-CG 3.47Å; T830-L834 WeakPolarHBondContact O-CB 3.49Å; T830-L834 PolarHBondContact O-N 2.81Å; T830-W895 HydrophobicContact CG2-CZ2 4.07Å
831	S	96.7	Very high	95.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.4	-36.9	171.9	59.7	0	0	0	0	114.2	P828 F829 L835 G899 L904	P828-S831 WeakPolarHBondContact O-CB 3.17Å; P828-S831 PolarHBondContact O-N 2.98Å; P828-S831 VanDerWaalsContact O-N 3.11Å; P828-S831 PolarHBondContact O-OG 3.31Å; F829-S831 PolarHBondContact O-N 2.76Å; F829-S831 VanDerWaalsContact O-N 3.13Å; S831-L835 VanDerWaalsContact O-CB 3.31Å; S831-L835 WeakPolarHBondContact O-CB 3.15Å; S831-L835 PolarHBondContact O-N 2.96Å; S831-G899 WeakPolarHBondContact CB-O 3.25Å; S831-L904 WeakPolarHBondContact OG-CA 3.37Å
832	I	96	Very high	94.8	Very high	93 Å²	93	25.3 Å²	25.3	48%	0.477	13%	0.132	S	C	.	.	H	α-helix	trans	-66.4	-57.6	-178.4	-60.8	172.2	0	0	0	111.4	F829 T830 L834 L835 A836 L904 V907	F829-I832 PolarHBondContact O-N 2.98Å; T830-I832 VanDerWaalsContact C-N 3.3Å; T830-I832 PolarHBondContact O-N 3.31Å; I832-L834 VanDerWaalsContact C-N 3.27Å; I832-L834 PolarHBondContact O-N 3.03Å; I832-L835 PolarHBondContact O-N 3.18Å; I832-A836 PolarHBondContact O-N 2.93Å; I832-A836 VanDerWaalsContact O-N 3.12Å; I832-L904 HydrophobicContact CG1-CD1 4.38Å; I832-V907 HydrophobicContact CD1-CG1 4.37Å
833	P	96.8	Very high	94.4	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.071	13%	0.134	C	C	.	.	H	α-helix	trans	-64.7	-32.1	176.2	24.4	-32.2	0	0	0	112	C250 W253 F254 F829 T830 A836 Y837	C250-P833 HydrophobicContact CB-CB 3.8Å; W253-P833 HydrophobicContact CB-CB 4.29Å; W253-P833 HydrophobicContact CB-CG 4.02Å; W253-P833 HydrophobicContact CD2-CG 4.27Å; W253-P833 HydrophobicContact CG-CB 4.4Å; W253-P833 HydrophobicContact CG-CG 3.61Å; F254-P833 HydrophobicContact CZ-CB 4.23Å; F829-P833 VanDerWaalsContact O-CD 3.23Å; F829-P833 WeakPolarHBondContact O-CD 3.36Å; T830-P833 VanDerWaalsContact O-CD 3.31Å; T830-P833 WeakPolarHBondContact O-CD 3.34Å; T830-P833 WeakPolarHBondContact O-CG 3.47Å; P833-A836 PolarHBondContact O-N 3Å; P833-Y837 VanDerWaalsContact O-CB 3.31Å; P833-Y837 WeakPolarHBondContact O-CB 3.34Å; P833-Y837 PolarHBondContact O-N 2.96Å
834	L	96.6	Very high	94	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-45.9	174.6	-178.2	63.7	0	0	0	112.6	F254 T830 I832 A836 Y837 C838 W895 V900	F254-L834 HydrophobicContact CE1-CB 4.4Å; F254-L834 HydrophobicContact CZ-CB 4.38Å; F254-L834 HydrophobicContact CZ-CD1 4.49Å; T830-L834 WeakPolarHBondContact O-CB 3.49Å; T830-L834 PolarHBondContact O-N 2.81Å; I832-L834 VanDerWaalsContact C-N 3.27Å; I832-L834 PolarHBondContact O-N 3.03Å; L834-A836 VanDerWaalsContact C-N 3.33Å; L834-A836 PolarHBondContact O-N 3.47Å; L834-Y837 PolarHBondContact O-N 3.22Å; L834-C838 WeakPolarHBondContact O-CB 3.33Å; L834-C838 PolarHBondContact O-N 2.69Å; L834-C838 PolarHBondContact O-SG 2.9Å; L834-W895 HydrophobicContact CD1-CH2 3.74Å; L834-W895 HydrophobicContact CD1-CZ3 3.83Å; L834-W895 HydrophobicContact CD2-CH2 4.29Å; L834-W895 HydrophobicContact CD2-CZ2 4.4Å; L834-W895 HydrophobicContact CD2-CZ3 4.44Å; L834-V900 HydrophobicContact CD2-CG1 3.9Å; L834-V900 HydrophobicContact CG-CG1 3.8Å
835	L	96.2	Very high	93.7	Very high	52 Å²	52	23.2 Å²	23.2	27%	0.272	12%	0.121	S	C	.	.	H	α-helix	trans	-59.9	-45.5	175.8	-177	73.1	0	0	0	111	S831 I832 C838 T839 V900 L904 L954	S831-L835 VanDerWaalsContact O-CB 3.31Å; S831-L835 WeakPolarHBondContact O-CB 3.15Å; S831-L835 PolarHBondContact O-N 2.96Å; I832-L835 PolarHBondContact O-N 3.18Å; L835-C838 PolarHBondContact O-N 2.97Å; L835-T839 WeakPolarHBondContact O-CB 3.46Å; L835-T839 PolarHBondContact O-N 2.85Å; L835-T839 VanDerWaalsContact O-N 3.15Å; L835-T839 PolarHBondContact O-OG1 2.64Å; L835-V900 HydrophobicContact CD1-CB 4.39Å; L835-L904 HydrophobicContact CD2-CD1 4.36Å; L835-L904 HydrophobicContact CD2-CD2 3.88Å; L835-L954 HydrophobicContact CD1-CD1 4.11Å; L835-L954 HydrophobicContact CD1-CD2 4.31Å; L835-L954 HydrophobicContact CD1-CG 4.37Å
836	A	94.4	Very high	93.2	Very high	27 Å²	27	27.1 Å²	27.1	22%	0.223	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-47.8	176.2	0	0	0	0	0	111.4	I246 I832 P833 L834 C838 T839 I840	I246-A836 HydrophobicContact CG2-CB 4.07Å; I832-A836 PolarHBondContact O-N 2.93Å; I832-A836 VanDerWaalsContact O-N 3.12Å; P833-A836 PolarHBondContact O-N 3Å; L834-A836 VanDerWaalsContact C-N 3.33Å; L834-A836 PolarHBondContact O-N 3.47Å; A836-C838 VanDerWaalsContact C-N 3.33Å; A836-C838 PolarHBondContact O-N 3.06Å; A836-T839 PolarHBondContact O-N 3.34Å; A836-I840 VanDerWaalsContact O-CG1 3.29Å; A836-I840 WeakPolarHBondContact O-CG1 3.41Å; A836-I840 PolarHBondContact O-N 3.45Å
837	Y	92.8	Very high	92.7	Very high	77 Å²	77	28 Å²	28	30%	0.302	15%	0.147	S	C	.	.	H	α-helix	trans	-66.2	-31.6	-179.5	-141.3	-101.4	0	0	0	113.2	C250 E251 F254 P833 L834 T839 I840 P841	C250-Y837 HydrophobicContact CB-CD2 3.81Å; C250-Y837 HydrophobicContact CB-CE2 4.43Å; E251-Y837 HydrophobicContact CG-CE2 4.1Å; F254-Y837 HydrophobicContact CE2-CD1 4.34Å; F254-Y837 AromaticContact CE2-CD2 3.89Å; F254-Y837 HydrophobicContact CE2-CD2 3.89Å; F254-Y837 HydrophobicContact CE2-CE2 4.45Å; F254-Y837 AromaticContact CE2-CG 3.82Å; F254-Y837 HydrophobicContact CE2-CG 3.82Å; F254-Y837 HydrophobicContact CZ-CG 4.44Å; P833-Y837 VanDerWaalsContact O-CB 3.31Å; P833-Y837 WeakPolarHBondContact O-CB 3.34Å; P833-Y837 PolarHBondContact O-N 2.96Å; L834-Y837 PolarHBondContact O-N 3.22Å; Y837-T839 VanDerWaalsContact C-N 3.3Å; Y837-I840 HydrophobicContact CD2-CD1 4.18Å; Y837-P841 WeakPolarHBondContact O-CD 3.19Å
838	C	94.8	Very high	92	Very high	7 Å²	7	27.5 Å²	27.5	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-74.5	-20.5	173.2	-66.1	0	0	0	0	113.3	L834 L835 A836 L954 N958 V990	L834-C838 WeakPolarHBondContact O-CB 3.33Å; L834-C838 PolarHBondContact O-N 2.69Å; L834-C838 PolarHBondContact O-SG 2.9Å; L835-C838 PolarHBondContact O-N 2.97Å; A836-C838 VanDerWaalsContact C-N 3.33Å; A836-C838 PolarHBondContact O-N 3.06Å; C838-L954 HydrophobicContact CB-CD1 3.72Å; C838-L954 HydrophobicContact CB-CD2 3.81Å; C838-L954 HydrophobicContact CB-CG 4.35Å; C838-N958 PolarHBondContact O-ND2 3.25Å; C838-V990 HydrophobicContact CB-CG1 4Å; C838-V990 HydrophobicContact CB-CG2 4.33Å
839	T	93.2	Very high	91.3	Very high	41 Å²	41	29.7 Å²	29.7	25%	0.252	17%	0.169	S	C	.	.	H	α-helix	trans	-91.6	-32.9	-179.8	-56.1	0	0	0	0	112.1	L835 A836 Y837 P841 A842 V843 L954 L957	L835-T839 WeakPolarHBondContact O-CB 3.46Å; L835-T839 PolarHBondContact O-N 2.85Å; L835-T839 VanDerWaalsContact O-N 3.15Å; L835-T839 PolarHBondContact O-OG1 2.64Å; A836-T839 PolarHBondContact O-N 3.34Å; Y837-T839 VanDerWaalsContact C-N 3.3Å; T839-P841 VanDerWaalsContact C-CD 3.48Å; T839-A842 PolarHBondContact O-N 3.2Å; T839-V843 HydrophobicContact CG2-CG2 4.01Å; T839-V843 PolarHBondContact O-N 3.09Å; T839-L954 VanDerWaalsContact OG1-CD2 3.31Å; T839-L954 WeakPolarHBondContact OG1-CD2 3.34Å; T839-L957 HydrophobicContact CG2-CD2 3.95Å
840	I	91	Very high	90.6	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.067	17%	0.173	C	C	.	.	H	α-helix	trans	-49.8	-46.9	-179	-79.9	161.3	0	0	0	113.5	I246 A836 Y837 A842 V843 C844 I851	I246-I840 HydrophobicContact CG2-CD1 4.23Å; A836-I840 VanDerWaalsContact O-CG1 3.29Å; A836-I840 WeakPolarHBondContact O-CG1 3.41Å; A836-I840 PolarHBondContact O-N 3.45Å; Y837-I840 HydrophobicContact CD2-CD1 4.18Å; I840-A842 PolarHBondContact O-N 2.78Å; I840-V843 PolarHBondContact O-N 2.91Å; I840-C844 WeakPolarHBondContact O-CB 3.3Å; I840-C844 PolarHBondContact O-N 2.64Å; I840-C844 PolarHBondContact O-SG 2.77Å; I840-I851 HydrophobicContact CG2-CD1 4.2Å; I840-I851 HydrophobicContact CG2-CG1 4.41Å; I840-I851 HydrophobicContact CG2-CG2 3.62Å
841	P	90	Very high	89.8	Confident	11 Å²	11	30.5 Å²	30.5	7%	0.071	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-44.4	-176.1	-26.3	35.5	0	0	0	112.9	Y837 T839 C844 L845 F986 A987 V990	Y837-P841 WeakPolarHBondContact O-CD 3.19Å; T839-P841 VanDerWaalsContact C-CD 3.48Å; P841-C844 WeakPolarHBondContact O-CB 3.43Å; P841-C844 PolarHBondContact O-N 2.66Å; P841-L845 WeakPolarHBondContact O-CG 3.28Å; P841-L845 PolarHBondContact O-N 3.35Å; P841-F986 HydrophobicContact CB-CB 3.91Å; P841-F986 HydrophobicContact CG-CB 3.77Å; P841-A987 HydrophobicContact CB-CB 4.01Å; P841-V990 HydrophobicContact CG-CG2 4.28Å
842	A	90	Very high	88.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-41.8	176.2	0	0	0	0	0	112.6	T839 I840 C844 L845 L846 L957	T839-A842 PolarHBondContact O-N 3.2Å; I840-A842 PolarHBondContact O-N 2.78Å; A842-C844 VanDerWaalsContact C-N 3.3Å; A842-C844 PolarHBondContact O-N 2.95Å; A842-L845 PolarHBondContact O-N 3.48Å; A842-L846 VanDerWaalsContact O-CG 3.31Å; A842-L846 WeakPolarHBondContact O-CG 3.19Å; A842-L846 PolarHBondContact O-N 3.29Å; A842-L957 HydrophobicContact CB-CD2 3.15Å; A842-L957 HydrophobicContact CB-CG 3.91Å; A842-L957 WeakPolarHBondContact CB-O 3.15Å
843	V	89.6	Confident	87.8	Confident	20 Å²	20	28.3 Å²	28.3	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-39.7	174.8	176.6	0	0	0	0	110.8	L243 T839 I840 L845 L846 T847 W1027	L243-V843 HydrophobicContact CD1-CG1 4.22Å; L243-V843 HydrophobicContact CD2-CG1 3.86Å; T839-V843 HydrophobicContact CG2-CG2 4.01Å; T839-V843 PolarHBondContact O-N 3.09Å; I840-V843 PolarHBondContact O-N 2.91Å; V843-L845 VanDerWaalsContact C-N 3.31Å; V843-L845 PolarHBondContact O-N 3.27Å; V843-L846 PolarHBondContact O-N 2.67Å; V843-T847 HydrophobicContact CG1-CG2 4.18Å; V843-T847 WeakPolarHBondContact O-CB 3.23Å; V843-T847 VanDerWaalsContact O-CG2 3.29Å; V843-T847 WeakPolarHBondContact O-CG2 3.14Å; V843-T847 PolarHBondContact O-N 2.94Å; V843-T847 PolarHBondContact O-OG1 3.29Å; V843-W1027 HydrophobicContact CG1-CH2 3.56Å; V843-W1027 HydrophobicContact CG1-CZ3 3.94Å; V843-W1027 HydrophobicContact CG2-CZ3 4.49Å
844	C	87.5	Confident	86.5	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-33.7	176	-66.8	0	0	0	0	112.9	I840 P841 A842 G848 K849 F850 K983	I840-C844 WeakPolarHBondContact O-CB 3.3Å; I840-C844 PolarHBondContact O-N 2.64Å; I840-C844 PolarHBondContact O-SG 2.77Å; P841-C844 WeakPolarHBondContact O-CB 3.43Å; P841-C844 PolarHBondContact O-N 2.66Å; A842-C844 VanDerWaalsContact C-N 3.3Å; A842-C844 PolarHBondContact O-N 2.95Å; C844-G848 PolarHBondContact O-N 3.44Å; C844-K849 CarbonylContact C-O 3.6Å; C844-K849 WeakPolarHBondContact CA-O 3.39Å; C844-K849 VanDerWaalsContact CB-O 3.23Å; C844-K849 WeakPolarHBondContact CB-O 3.49Å; C844-K849 VanDerWaalsContact O-O 3.12Å; C844-F850 HydrophobicContact CB-CD2 4.16Å; C844-K983 HydrophobicContact CB-CD 4.36Å; C844-K983 HydrophobicContact CB-CG 4.35Å; C844-K983 PolarHBondContact O-NZ 3.47Å; C844-K983 VanDerWaalsContact O-NZ 3.07Å
845	L	87.6	Confident	85.2	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-71.7	-43.1	175.2	-73.4	165.5	0	0	0	111.7	P841 A842 V843 G961 V962 L980 K983 L984 A987	P841-L845 WeakPolarHBondContact O-CG 3.28Å; P841-L845 PolarHBondContact O-N 3.35Å; A842-L845 PolarHBondContact O-N 3.48Å; V843-L845 VanDerWaalsContact C-N 3.31Å; V843-L845 PolarHBondContact O-N 3.27Å; L845-G961 VanDerWaalsContact CB-O 3.29Å; L845-G961 WeakPolarHBondContact CB-O 3.32Å; L845-V962 HydrophobicContact CD1-CG2 4.15Å; L845-L980 HydrophobicContact CD2-CD1 3.55Å; L845-K983 HydrophobicContact CD2-CB 3.47Å; L845-K983 VanDerWaalsContact CD2-CB 3.47Å; L845-K983 HydrophobicContact CD2-CD 4.23Å; L845-K983 HydrophobicContact CG-CB 3.89Å; L845-L984 HydrophobicContact CD1-CD2 4.46Å; L845-L984 HydrophobicContact CD2-CD2 4.05Å; L845-L984 HydrophobicContact CD2-CG 4.4Å; L845-A987 HydrophobicContact CD1-CB 3.57Å
846	L	85.9	Confident	84.1	Confident	84 Å²	84	40.5 Å²	40.5	44%	0.44	23%	0.232	S	C	.	.	H	α-helix	trans	-70.9	-31.8	-179.6	-69.1	170.4	0	0	0	113.4	A842 V843 V960 A964	A842-L846 VanDerWaalsContact O-CG 3.31Å; A842-L846 WeakPolarHBondContact O-CG 3.19Å; A842-L846 PolarHBondContact O-N 3.29Å; V843-L846 PolarHBondContact O-N 2.67Å; L846-V960 HydrophobicContact CD2-CG1 4.4Å; L846-A964 HydrophobicContact CD2-CB 3.69Å
847	T	83.9	Confident	83.5	Confident	37 Å²	37	45.8 Å²	45.8	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-95.6	-13.3	-175.2	55.6	0	0	0	0	114.9	V843 K849 W1027	V843-T847 HydrophobicContact CG1-CG2 4.18Å; V843-T847 WeakPolarHBondContact O-CB 3.23Å; V843-T847 VanDerWaalsContact O-CG2 3.29Å; V843-T847 WeakPolarHBondContact O-CG2 3.14Å; V843-T847 PolarHBondContact O-N 2.94Å; V843-T847 PolarHBondContact O-OG1 3.29Å; T847-K849 PolarHBondContact O-N 3.45Å; T847-K849 PolarHBondContact OG1-N 2.9Å; T847-W1027 HydrophobicContact CG2-CH2 3.59Å; T847-W1027 HydrophobicContact CG2-CZ2 3.13Å
848	G	79	Confident	82.9	Confident	48 Å²	48	49.9 Å²	49.9	50%	0.495	28%	0.276	S	S	.	.	S	Bend	trans	69.8	-7.8	-166.8	0	0	0	0	0	114.1	C844 K983	C844-G848 PolarHBondContact O-N 3.44Å; G848-K983 VanDerWaalsContact CA-NZ 3.35Å; G848-K983 PolarHBondContact O-NZ 3.07Å
849	K	82.8	Confident	82	Confident	45 Å²	45	49.7 Å²	49.7	20%	0.196	28%	0.275	C	S	.	.			trans	-84.1	157.7	178.7	-61.4	-171.2	178.5	-167.4	0	111.9	D239 A240 L243 C844 T847 F1033	D239-K849 WeakPolarHBondContact O-CD 3.41Å; D239-K849 WeakPolarHBondContact O-CE 3.46Å; D239-K849 PolarHBondContact O-NZ 3.31Å; A240-K849 HydrophobicContact CB-CB 4.01Å; A240-K849 HydrophobicContact CB-CD 4.11Å; L243-K849 HydrophobicContact CD1-CB 4.41Å; C844-K849 CarbonylContact C-O 3.6Å; C844-K849 WeakPolarHBondContact CA-O 3.39Å; C844-K849 VanDerWaalsContact CB-O 3.23Å; C844-K849 WeakPolarHBondContact CB-O 3.49Å; C844-K849 VanDerWaalsContact O-O 3.12Å; T847-K849 PolarHBondContact O-N 3.45Å; T847-K849 PolarHBondContact OG1-N 2.9Å; K849-F1033 HydrophobicContact CD-CB 4.41Å; K849-F1033 PolarHBondContact NZ-O 3.02Å
850	F	81.7	Confident	81.4	Confident	49 Å²	49	50.2 Å²	50.2	22%	0.215	28%	0.28	C	S	.	.			trans	-134.8	147.1	179.5	-161	-127	0	0	0	112.1	C844 I852 K983 F986	C844-F850 HydrophobicContact CB-CD2 4.16Å; F850-I852 VanDerWaalsContact C-N 3.26Å; F850-I852 HydrophobicContact CD1-CB 4Å; F850-I852 VanDerWaalsContact CD1-O 3.3Å; F850-I852 WeakPolarHBondContact CD1-O 3.15Å; F850-I852 HydrophobicContact CE1-CB 3.85Å; F850-I852 HydrophobicContact CE1-CD1 4.2Å; F850-I852 HydrophobicContact CE1-CG1 4.34Å; F850-I852 PolarHBondContact O-N 3.35Å; F850-K983 HydrophobicContact CD2-CD 4.36Å; F850-K983 HydrophobicContact CD2-CG 3.61Å; F850-K983 HydrophobicContact CE2-CG 3.71Å; F850-F986 HydrophobicContact CE2-CD2 4.36Å; F850-F986 HydrophobicContact CZ-CD2 4.24Å; F850-F986 AromaticContact CZ-CE2 3.96Å; F850-F986 HydrophobicContact CZ-CE2 3.96Å
851	I	79.9	Confident	81.1	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.031	30%	0.302	C	S	.	.	S	Bend	trans	-72.3	-17.3	-177.4	48.5	156.3	0	0	0	114.2	R232 L243 I840	R232-I851 PolarHBondContact NH1-O 3.15Å; R232-I851 VanDerWaalsContact NH1-O 3.11Å; L243-I851 HydrophobicContact CB-CG2 4.02Å; I840-I851 HydrophobicContact CG2-CD1 4.2Å; I840-I851 HydrophobicContact CG2-CG1 4.41Å; I840-I851 HydrophobicContact CG2-CG2 3.62Å
852	I	76.8	Confident	80.9	Confident	19 Å²	19	57.4 Å²	57.4	10%	0.097	31%	0.312	C	S	.	.	S	Bend	trans	-116.4	123.1	-178.8	-60.3	163.8	0	0	0	107.4	F850 I855 F863	F850-I852 VanDerWaalsContact C-N 3.26Å; F850-I852 HydrophobicContact CD1-CB 4Å; F850-I852 VanDerWaalsContact CD1-O 3.3Å; F850-I852 WeakPolarHBondContact CD1-O 3.15Å; F850-I852 HydrophobicContact CE1-CB 3.85Å; F850-I852 HydrophobicContact CE1-CD1 4.2Å; F850-I852 HydrophobicContact CE1-CG1 4.34Å; F850-I852 PolarHBondContact O-N 3.35Å; I852-I855 HydrophobicContact CG2-CD1 3.96Å; I852-I855 HydrophobicContact CG2-CG1 3.7Å; I852-F863 HydrophobicContact CD1-CE1 3.69Å; I852-F863 HydrophobicContact CD1-CZ 3.64Å; I852-F863 HydrophobicContact CG1-CE1 4.45Å; I852-F863 HydrophobicContact CG1-CZ 3.98Å; I852-F863 HydrophobicContact CG2-CE2 4.17Å; I852-F863 HydrophobicContact CG2-CZ 4.06Å
853	P	72.8	Confident	80.7	Confident	28 Å²	28	59.6 Å²	59.6	18%	0.182	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-66.4	169.6	173.2	28.2	-32.5	0	0	0	110.8	T235 I855	T235-P853 HydrophobicContact CG2-CG 3.73Å; P853-I855 PolarHBondContact O-N 3.22Å
854	T	70.2	Confident	80.6	Confident	137 Å²	137	63.5 Å²	63.5	84%	0.84	34%	0.341	S	S	*	.	S	Bend	trans	-48.5	119.9	175.2	49.9	0	0	0	0	110.8	N856	T854-N856 PolarHBondContact O-N 3.38Å
855	I	68.3	Low	80.8	Confident	74 Å²	74	64.7 Å²	64.7	38%	0.379	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-80.5	122.2	-167.4	-50.2	178.5	0	0	0	109.2	I852 P853 A859 S860	I852-I855 HydrophobicContact CG2-CD1 3.96Å; I852-I855 HydrophobicContact CG2-CG1 3.7Å; P853-I855 PolarHBondContact O-N 3.22Å; I855-A859 HydrophobicContact CG2-CB 3.48Å; I855-A859 VanDerWaalsContact CG2-CB 3.48Å; I855-S860 WeakPolarHBondContact CG2-OG 3.43Å
856	N	74.4	Confident	80.9	Confident	116 Å²	116	65.3 Å²	65.3	62%	0.62	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-68.5	152.7	167.5	-73.8	-7	0	0	0	110.4	T854 F858 A859 S860	T854-N856 PolarHBondContact O-N 3.38Å; N856-F858 PolarHBondContact O-N 2.79Å; N856-A859 WeakPolarHBondContact O-CA 3.17Å; N856-A859 WeakPolarHBondContact O-CB 3.42Å; N856-A859 PolarHBondContact O-N 2.97Å; N856-S860 PolarHBondContact O-N 3.07Å; N856-S860 VanDerWaalsContact O-N 3.11Å
857	N	81	Confident	81.1	Confident	138 Å²	138	66 Å²	66	74%	0.738	35%	0.354	S	S	*	.	H	α-helix	trans	-47.7	-41.9	179.3	-68.1	-10.1	0	0	0	113.6	S860 I861	N857-S860 PolarHBondContact O-N 2.96Å; N857-I861 WeakPolarHBondContact O-CG1 3.45Å; N857-I861 PolarHBondContact O-N 3.1Å
858	F	79.7	Confident	81.5	Confident	163 Å²	163	69 Å²	69	72%	0.715	37%	0.367	S	S	*	.	H	α-helix	trans	-65.9	-36.3	176.9	-70	-72.1	0	0	0	114	N856 I861 W862	N856-F858 PolarHBondContact O-N 2.79Å; F858-I861 PolarHBondContact O-N 3.22Å; F858-W862 PolarHBondContact O-N 3.42Å
859	A	75.8	Confident	82.3	Confident	3 Å²	3	67 Å²	67	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-69.9	-39	178	0	0	0	0	0	110.9	F231 I855 N856 I861 W862 F863	F231-A859 HydrophobicContact CD1-CB 4.23Å; F231-A859 HydrophobicContact CD2-CB 3.82Å; F231-A859 HydrophobicContact CE1-CB 3.8Å; F231-A859 HydrophobicContact CE2-CB 3.33Å; F231-A859 HydrophobicContact CG-CB 4.25Å; F231-A859 HydrophobicContact CZ-CB 3.32Å; I855-A859 HydrophobicContact CG2-CB 3.48Å; I855-A859 VanDerWaalsContact CG2-CB 3.48Å; N856-A859 WeakPolarHBondContact O-CA 3.17Å; N856-A859 WeakPolarHBondContact O-CB 3.42Å; N856-A859 PolarHBondContact O-N 2.97Å; A859-I861 PolarHBondContact O-N 2.92Å; A859-W862 PolarHBondContact O-N 3.13Å; A859-W862 VanDerWaalsContact O-N 3.11Å; A859-F863 VanDerWaalsContact O-CD2 3.3Å; A859-F863 WeakPolarHBondContact O-CD2 3.39Å; A859-F863 PolarHBondContact O-N 2.67Å
860	S	80.6	Confident	82.8	Confident	52 Å²	52	68.2 Å²	68.2	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-57.2	-39.1	174.2	-58.3	0	0	0	0	111.8	I855 N856 N857 F863 L864	I855-S860 WeakPolarHBondContact CG2-OG 3.43Å; N856-S860 PolarHBondContact O-N 3.07Å; N856-S860 VanDerWaalsContact O-N 3.11Å; N857-S860 PolarHBondContact O-N 2.96Å; S860-F863 PolarHBondContact O-N 3.44Å; S860-L864 VanDerWaalsContact O-CB 3.31Å; S860-L864 WeakPolarHBondContact O-CB 3.38Å; S860-L864 PolarHBondContact O-N 3.47Å
861	I	85.8	Confident	83.4	Confident	101 Å²	101	69.1 Å²	69.1	52%	0.518	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-46.3	176.1	-65.8	168	0	0	0	111	N857 F858 A859 L864 A865	N857-I861 WeakPolarHBondContact O-CG1 3.45Å; N857-I861 PolarHBondContact O-N 3.1Å; F858-I861 PolarHBondContact O-N 3.22Å; A859-I861 PolarHBondContact O-N 2.92Å; I861-L864 PolarHBondContact O-N 3.29Å; I861-A865 WeakPolarHBondContact O-CB 3.4Å; I861-A865 PolarHBondContact O-N 3Å
862	W	86	Confident	84.1	Confident	75 Å²	75	70.5 Å²	70.5	28%	0.284	37%	0.373	S	S	.	.	H	α-helix	trans	-68.5	-37.9	-179.6	-68.5	116.6	0	0	0	113.2	I224 F227 F858 A859 L866	I224-W862 HydrophobicContact CG1-CZ3 4.3Å; I224-W862 HydrophobicContact CG2-CE3 4.32Å; F227-W862 HydrophobicContact CB-CD2 3.7Å; F227-W862 HydrophobicContact CB-CE3 3.75Å; F227-W862 HydrophobicContact CB-CG 4.43Å; F227-W862 HydrophobicContact CB-CH2 3.78Å; F227-W862 HydrophobicContact CB-CZ2 3.71Å; F227-W862 HydrophobicContact CB-CZ3 3.8Å; F227-W862 HydrophobicContact CD1-CH2 4.25Å; F227-W862 AromaticContact CD1-CZ2 3.94Å; F227-W862 HydrophobicContact CD1-CZ2 3.94Å; F227-W862 AromaticContact CD2-CH2 3.32Å; F227-W862 HydrophobicContact CD2-CH2 3.32Å; F227-W862 AromaticContact CD2-CZ2 3.88Å; F227-W862 HydrophobicContact CD2-CZ2 3.88Å; F227-W862 AromaticContact CD2-CZ3 3.7Å; F227-W862 HydrophobicContact CD2-CZ3 3.7Å; F227-W862 AromaticContact CE2-CH2 3.92Å; F227-W862 HydrophobicContact CE2-CH2 3.92Å; F227-W862 HydrophobicContact CE2-CZ2 4.48Å; F227-W862 HydrophobicContact CG-CD2 4.47Å; F227-W862 HydrophobicContact CG-CE3 4.41Å; F227-W862 AromaticContact CG-CH2 3.52Å; F227-W862 HydrophobicContact CG-CH2 3.52Å; F227-W862 AromaticContact CG-CZ2 3.57Å; F227-W862 HydrophobicContact CG-CZ2 3.57Å; F227-W862 AromaticContact CG-CZ3 3.96Å; F227-W862 HydrophobicContact CG-CZ3 3.96Å; F858-W862 PolarHBondContact O-N 3.42Å; A859-W862 PolarHBondContact O-N 3.13Å; A859-W862 VanDerWaalsContact O-N 3.11Å; W862-L866 WeakPolarHBondContact O-CB 3.49Å; W862-L866 PolarHBondContact O-N 3.45Å
863	F	85	Confident	85	Confident	46 Å²	46	69.8 Å²	69.8	20%	0.202	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-47.3	172.4	-86.3	-79.3	0	0	0	111.7	F228 F231 I852 A859 S860 L866 F867	F228-F863 AromaticContact CE2-CD1 3.72Å; F228-F863 HydrophobicContact CE2-CD1 3.72Å; F228-F863 AromaticContact CE2-CE1 3.47Å; F228-F863 HydrophobicContact CE2-CE1 3.47Å; F228-F863 VanDerWaalsContact CE2-CE1 3.47Å; F228-F863 HydrophobicContact CE2-CE2 4.43Å; F228-F863 HydrophobicContact CE2-CG 4.32Å; F228-F863 AromaticContact CE2-CZ 3.84Å; F228-F863 HydrophobicContact CE2-CZ 3.84Å; F228-F863 HydrophobicContact CZ-CE1 4.07Å; F228-F863 HydrophobicContact CZ-CZ 4.48Å; F231-F863 HydrophobicContact CD1-CE2 4.25Å; F231-F863 AromaticContact CE1-CE2 3.66Å; F231-F863 HydrophobicContact CE1-CE2 3.66Å; F231-F863 HydrophobicContact CE1-CZ 4.36Å; I852-F863 HydrophobicContact CD1-CE1 3.69Å; I852-F863 HydrophobicContact CD1-CZ 3.64Å; I852-F863 HydrophobicContact CG1-CE1 4.45Å; I852-F863 HydrophobicContact CG1-CZ 3.98Å; I852-F863 HydrophobicContact CG2-CE2 4.17Å; I852-F863 HydrophobicContact CG2-CZ 4.06Å; A859-F863 VanDerWaalsContact O-CD2 3.3Å; A859-F863 WeakPolarHBondContact O-CD2 3.39Å; A859-F863 PolarHBondContact O-N 2.67Å; S860-F863 PolarHBondContact O-N 3.44Å; F863-L866 PolarHBondContact O-N 3.38Å; F863-F867 PolarHBondContact O-N 3.14Å
864	L	87	Confident	86	Confident	102 Å²	102	69.9 Å²	69.9	53%	0.534	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-43.3	178.8	-175.6	64.9	0	0	0	111.2	S860 I861 L866 F867 L868	S860-L864 VanDerWaalsContact O-CB 3.31Å; S860-L864 WeakPolarHBondContact O-CB 3.38Å; S860-L864 PolarHBondContact O-N 3.47Å; I861-L864 PolarHBondContact O-N 3.29Å; L864-L866 VanDerWaalsContact C-N 3.32Å; L864-L866 PolarHBondContact O-N 2.82Å; L864-F867 PolarHBondContact O-N 3.31Å; L864-L868 HydrophobicContact CD1-CD1 4.32Å; L864-L868 HydrophobicContact CD1-CG 4.29Å; L864-L868 HydrophobicContact CG-CD1 3.95Å; L864-L868 HydrophobicContact CG-CG 4.32Å; L864-L868 WeakPolarHBondContact O-CB 3.24Å; L864-L868 VanDerWaalsContact O-CG 3.27Å; L864-L868 WeakPolarHBondContact O-CG 3.44Å; L864-L868 PolarHBondContact O-N 3.43Å
865	A	91.4	Very high	87.2	Confident	26 Å²	26	68.2 Å²	68.2	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-60.5	-41.8	176.2	0	0	0	0	0	111.6	I224 I861 S869	I224-A865 HydrophobicContact CD1-CB 4.06Å; I224-A865 HydrophobicContact CG1-CB 4.36Å; I224-A865 HydrophobicContact CG2-CB 4.23Å; I861-A865 WeakPolarHBondContact O-CB 3.4Å; I861-A865 PolarHBondContact O-N 3Å; A865-S869 VanDerWaalsContact O-CB 3.25Å; A865-S869 WeakPolarHBondContact O-CB 3.32Å; A865-S869 PolarHBondContact O-N 3.38Å; A865-S869 PolarHBondContact O-OG 2.66Å
866	L	91.7	Very high	88.5	Confident	22 Å²	22	65.8 Å²	65.8	12%	0.115	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-49.2	175.8	-179	61.9	0	0	0	110.8	I224 L225 F228 W862 F863 L864 L868 S869 I870	I224-L866 HydrophobicContact CG2-CB 3.92Å; I224-L866 HydrophobicContact CG2-CD1 4.31Å; L225-L866 HydrophobicContact CD2-CD1 3.68Å; L225-L866 HydrophobicContact CD2-CD2 4.48Å; L225-L866 HydrophobicContact CG-CD1 4.17Å; F228-L866 HydrophobicContact CD1-CD2 4.13Å; F228-L866 HydrophobicContact CD2-CD2 3.87Å; F228-L866 HydrophobicContact CE1-CD2 4.2Å; F228-L866 HydrophobicContact CE2-CD2 3.93Å; F228-L866 HydrophobicContact CG-CD2 3.97Å; F228-L866 HydrophobicContact CZ-CD2 4.11Å; W862-L866 WeakPolarHBondContact O-CB 3.49Å; W862-L866 PolarHBondContact O-N 3.45Å; F863-L866 PolarHBondContact O-N 3.38Å; L864-L866 VanDerWaalsContact C-N 3.32Å; L864-L866 PolarHBondContact O-N 2.82Å; L866-L868 PolarHBondContact O-N 2.89Å; L866-S869 PolarHBondContact O-N 2.86Å; L866-S869 PolarHBondContact O-OG 3.13Å; L866-I870 HydrophobicContact CD1-CD1 4.47Å; L866-I870 HydrophobicContact CG-CD1 4.18Å; L866-I870 WeakPolarHBondContact O-CG1 3.41Å; L866-I870 PolarHBondContact O-N 3.48Å
867	F	89.7	Confident	89.5	Confident	99 Å²	99	61 Å²	61	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-47.6	179	-174.5	-106	0	0	0	112.5	F863 L864 S869 I870 I871	F863-F867 PolarHBondContact O-N 3.14Å; L864-F867 PolarHBondContact O-N 3.31Å; F867-S869 VanDerWaalsContact C-N 3.3Å; F867-S869 PolarHBondContact O-N 3.47Å; F867-I870 WeakPolarHBondContact O-CB 3.47Å; F867-I870 PolarHBondContact O-N 2.84Å; F867-I871 HydrophobicContact CD1-CD1 3.78Å; F867-I871 HydrophobicContact CE1-CD1 3.3Å; F867-I871 HydrophobicContact CE1-CG1 4.45Å; F867-I871 HydrophobicContact CE2-CD1 4.37Å; F867-I871 HydrophobicContact CZ-CD1 3.64Å; F867-I871 PolarHBondContact O-N 2.9Å; F867-I871 VanDerWaalsContact O-N 3.12Å
868	L	92.7	Very high	90.1	Very high	99 Å²	99	55.5 Å²	55.5	52%	0.518	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-38.3	175.8	-69.8	175.3	0	0	0	111.7	L864 L866 I870 I871 A872	L864-L868 HydrophobicContact CD1-CD1 4.32Å; L864-L868 HydrophobicContact CD1-CG 4.29Å; L864-L868 HydrophobicContact CG-CD1 3.95Å; L864-L868 HydrophobicContact CG-CG 4.32Å; L864-L868 WeakPolarHBondContact O-CB 3.24Å; L864-L868 VanDerWaalsContact O-CG 3.27Å; L864-L868 WeakPolarHBondContact O-CG 3.44Å; L864-L868 PolarHBondContact O-N 3.43Å; L866-L868 PolarHBondContact O-N 2.89Å; L868-I870 VanDerWaalsContact C-N 3.34Å; L868-I870 PolarHBondContact O-N 3.35Å; L868-I871 PolarHBondContact O-N 3.16Å; L868-A872 VanDerWaalsContact O-CB 3.22Å; L868-A872 WeakPolarHBondContact O-CB 3.37Å; L868-A872 PolarHBondContact O-N 3.29Å
869	S	95.6	Very high	90.8	Very high	7 Å²	7	54.6 Å²	54.6	5%	0.049	28%	0.281	C	S	.	.	H	α-helix	trans	-66.5	-34.7	176.9	77.9	0	0	0	0	112.6	R221 A865 L866 F867 T873	R221-S869 WeakPolarHBondContact CG-OG 3.28Å; A865-S869 VanDerWaalsContact O-CB 3.25Å; A865-S869 WeakPolarHBondContact O-CB 3.32Å; A865-S869 PolarHBondContact O-N 3.38Å; A865-S869 PolarHBondContact O-OG 2.66Å; L866-S869 PolarHBondContact O-N 2.86Å; L866-S869 PolarHBondContact O-OG 3.13Å; F867-S869 VanDerWaalsContact C-N 3.3Å; F867-S869 PolarHBondContact O-N 3.47Å; S869-T873 WeakPolarHBondContact O-CB 3.31Å; S869-T873 PolarHBondContact O-N 3.21Å; S869-T873 PolarHBondContact O-OG1 3.45Å
870	I	93.3	Very high	91.7	Very high	70 Å²	70	54.9 Å²	54.9	36%	0.359	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-51.5	174.8	-68.5	162.3	0	0	0	109.6	R221 L866 F867 L868 A872 T873 A874	R221-I870 VanDerWaalsContact CZ-CG1 3.49Å; L866-I870 HydrophobicContact CD1-CD1 4.47Å; L866-I870 HydrophobicContact CG-CD1 4.18Å; L866-I870 WeakPolarHBondContact O-CG1 3.41Å; L866-I870 PolarHBondContact O-N 3.48Å; F867-I870 WeakPolarHBondContact O-CB 3.47Å; F867-I870 PolarHBondContact O-N 2.84Å; L868-I870 VanDerWaalsContact C-N 3.34Å; L868-I870 PolarHBondContact O-N 3.35Å; I870-A872 PolarHBondContact O-N 3.45Å; I870-T873 PolarHBondContact O-N 3.25Å; I870-A874 PolarHBondContact O-N 2.82Å
871	I	93.1	Very high	92.3	Very high	69 Å²	69	52.8 Å²	52.8	35%	0.354	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-46.8	178.9	-66.5	172	0	0	0	110.7	F867 L868 T873 A874 I875	F867-I871 HydrophobicContact CD1-CD1 3.78Å; F867-I871 HydrophobicContact CE1-CD1 3.3Å; F867-I871 HydrophobicContact CE1-CG1 4.45Å; F867-I871 HydrophobicContact CE2-CD1 4.37Å; F867-I871 HydrophobicContact CZ-CD1 3.64Å; F867-I871 PolarHBondContact O-N 2.9Å; F867-I871 VanDerWaalsContact O-N 3.12Å; L868-I871 PolarHBondContact O-N 3.16Å; I871-T873 VanDerWaalsContact C-N 3.32Å; I871-T873 PolarHBondContact O-N 2.83Å; I871-A874 PolarHBondContact O-N 3.48Å; I871-I875 HydrophobicContact CG2-CD1 3.64Å; I871-I875 HydrophobicContact CG2-CG1 4.29Å; I871-I875 WeakPolarHBondContact O-CG1 3.46Å; I871-I875 PolarHBondContact O-N 2.74Å
872	A	95.6	Very high	92.5	Very high	34 Å²	34	51.3 Å²	51.3	28%	0.281	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-40.4	178.8	0	0	0	0	0	111.9	V217 L868 I870 L876	V217-A872 HydrophobicContact CG1-CB 4.06Å; L868-A872 VanDerWaalsContact O-CB 3.22Å; L868-A872 WeakPolarHBondContact O-CB 3.37Å; L868-A872 PolarHBondContact O-N 3.29Å; I870-A872 PolarHBondContact O-N 3.45Å; A872-L876 WeakPolarHBondContact O-CB 3.41Å; A872-L876 WeakPolarHBondContact O-CD1 3.42Å; A872-L876 WeakPolarHBondContact O-CG 3.5Å; A872-L876 PolarHBondContact O-N 2.77Å
873	T	94.9	Very high	92.8	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-48.6	175.4	-54.1	0	0	0	0	110.3	Y214 V217 S869 I870 I871 L876 E877	Y214-T873 HydrophobicContact CD2-CG2 4.43Å; Y214-T873 HydrophobicContact CE2-CG2 3.81Å; V217-T873 WeakPolarHBondContact CG1-OG1 3.06Å; S869-T873 WeakPolarHBondContact O-CB 3.31Å; S869-T873 PolarHBondContact O-N 3.21Å; S869-T873 PolarHBondContact O-OG1 3.45Å; I870-T873 PolarHBondContact O-N 3.25Å; I871-T873 VanDerWaalsContact C-N 3.32Å; I871-T873 PolarHBondContact O-N 2.83Å; T873-L876 PolarHBondContact O-N 3.03Å; T873-E877 WeakPolarHBondContact O-CB 3.34Å; T873-E877 PolarHBondContact O-N 3.1Å
874	A	93.8	Very high	93.1	Very high	31 Å²	31	48.6 Å²	48.6	26%	0.256	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-47	-179.7	0	0	0	0	0	112.4	I870 I871 L876 E877 L878 L888	I870-A874 PolarHBondContact O-N 2.82Å; I871-A874 PolarHBondContact O-N 3.48Å; A874-L876 VanDerWaalsContact C-N 3.33Å; A874-L876 PolarHBondContact O-N 2.82Å; A874-E877 PolarHBondContact O-N 2.83Å; A874-L878 WeakPolarHBondContact O-CG 3.5Å; A874-L878 PolarHBondContact O-N 2.86Å; A874-L888 HydrophobicContact CB-CD2 4.26Å
875	I	95	Very high	93.3	Very high	101 Å²	101	49.3 Å²	49.3	52%	0.518	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-43.6	177.9	-67.9	171	0	0	0	111.1	I871 E877 L878 R879	I871-I875 HydrophobicContact CG2-CD1 3.64Å; I871-I875 HydrophobicContact CG2-CG1 4.29Å; I871-I875 WeakPolarHBondContact O-CG1 3.46Å; I871-I875 PolarHBondContact O-N 2.74Å; I875-E877 VanDerWaalsContact C-N 3.35Å; I875-L878 PolarHBondContact O-N 2.9Å; I875-R879 WeakPolarHBondContact O-CB 3.48Å; I875-R879 PolarHBondContact O-N 2.68Å
876	L	96.2	Very high	93.3	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-35.4	179.1	-70.3	171.5	0	0	0	111.8	P213 Y214 V217 A872 T873 A874 R879 W880	P213-L876 HydrophobicContact CB-CD1 4.17Å; P213-L876 HydrophobicContact CB-CD2 4Å; Y214-L876 HydrophobicContact CD2-CB 3.95Å; Y214-L876 HydrophobicContact CG-CB 4.49Å; V217-L876 HydrophobicContact CB-CD1 4.08Å; V217-L876 HydrophobicContact CG2-CD1 3.6Å; A872-L876 WeakPolarHBondContact O-CB 3.41Å; A872-L876 WeakPolarHBondContact O-CD1 3.42Å; A872-L876 WeakPolarHBondContact O-CG 3.5Å; A872-L876 PolarHBondContact O-N 2.77Å; T873-L876 PolarHBondContact O-N 3.03Å; A874-L876 VanDerWaalsContact C-N 3.33Å; A874-L876 PolarHBondContact O-N 2.82Å; L876-R879 PolarHBondContact O-N 2.91Å; L876-W880 PolarHBondContact O-N 2.89Å; L876-W880 VanDerWaalsContact O-N 3.15Å
877	E	95.2	Very high	93.2	Very high	15 Å²	15	54.3 Å²	54.3	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-45.9	174.5	-162.6	175.5	-134.4	0	0	111.9	Y214 K265 I556 T873 A874 I875 R879 W880 S881	Y214-E877 HydrophobicContact CD2-CB 4.47Å; Y214-E877 HydrophobicContact CE2-CB 3.9Å; Y214-E877 HydrophobicContact CE2-CG 4.25Å; Y214-E877 PolarHBondContact OH-OE1 2.84Å; K265-E877 VanDerWaalsContact CD-OE1 3.29Å; K265-E877 WeakPolarHBondContact CD-OE1 3.29Å; K265-E877 IonicContact NZ-OE1 3.2Å; K265-E877 PolarHBondContact NZ-OE1 3.31Å; I556-E877 HydrophobicContact CD1-CG 4.16Å; I556-E877 HydrophobicContact CG2-CG 3.86Å; I556-E877 WeakPolarHBondContact CG2-OE1 3.48Å; T873-E877 WeakPolarHBondContact O-CB 3.34Å; T873-E877 PolarHBondContact O-N 3.1Å; A874-E877 PolarHBondContact O-N 2.83Å; I875-E877 VanDerWaalsContact C-N 3.35Å; E877-R879 VanDerWaalsContact C-N 3.32Å; E877-R879 PolarHBondContact O-N 3.11Å; E877-W880 HydrophobicContact CG-CZ2 4.07Å; E877-W880 PolarHBondContact O-N 3.2Å; E877-S881 VanDerWaalsContact O-CB 3.26Å; E877-S881 WeakPolarHBondContact O-CB 3.33Å; E877-S881 PolarHBondContact O-N 2.79Å; E877-S881 PolarHBondContact O-OG 3.4Å
878	L	94.7	Very high	93.3	Very high	24 Å²	24	50.6 Å²	50.6	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-42.4	172.8	-66.5	174.4	0	0	0	111.8	A874 I875 W880 S881 G882 V883 I885 L888	A874-L878 WeakPolarHBondContact O-CG 3.5Å; A874-L878 PolarHBondContact O-N 2.86Å; I875-L878 PolarHBondContact O-N 2.9Å; L878-W880 PolarHBondContact O-N 3.36Å; L878-S881 PolarHBondContact O-OG 3.28Å; L878-G882 PolarHBondContact O-N 2.95Å; L878-V883 HydrophobicContact CD2-CB 4.2Å; L878-V883 HydrophobicContact CD2-CG1 4.28Å; L878-V883 WeakPolarHBondContact CD2-O 3.34Å; L878-I885 HydrophobicContact CD1-CB 4.05Å; L878-I885 HydrophobicContact CD1-CG1 4.11Å; L878-L888 HydrophobicContact CD1-CD2 3.9Å; L878-L888 HydrophobicContact CD2-CB 3.86Å; L878-L888 HydrophobicContact CD2-CD2 3.88Å; L878-L888 HydrophobicContact CD2-CG 4.38Å; L878-L888 HydrophobicContact CG-CD2 3.96Å
879	R	94.6	Very high	93.3	Very high	143 Å²	143	49.9 Å²	49.9	54%	0.54	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-41.2	-177.5	-175.9	179.8	-179.5	-176.9	0.6	113.5	I875 L876 E877	I875-R879 WeakPolarHBondContact O-CB 3.48Å; I875-R879 PolarHBondContact O-N 2.68Å; L876-R879 PolarHBondContact O-N 2.91Å; E877-R879 VanDerWaalsContact C-N 3.32Å; E877-R879 PolarHBondContact O-N 3.11Å
880	W	94.1	Very high	93	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.038	29%	0.285	C	S	.	.	H	α-helix	trans	-84.3	-30.5	-179.1	73.4	-109.6	0	0	0	112.8	I206 K210 I211 Y214 P268 I556 L876 E877 L878	I206-W880 HydrophobicContact CD1-CE3 3.68Å; I206-W880 HydrophobicContact CD1-CZ3 4.06Å; I206-W880 HydrophobicContact CG2-CB 4.25Å; K210-W880 HydrophobicContact CB-CB 4.03Å; I211-W880 HydrophobicContact CD1-CD2 4.26Å; I211-W880 HydrophobicContact CD1-CG 4.11Å; Y214-W880 AromaticContact CD1-NE1 3.66Å; Y214-W880 AromaticContact CD2-NE1 3.86Å; Y214-W880 AromaticContact CE1-NE1 3.66Å; Y214-W880 AromaticContact CE2-NE1 3.88Å; Y214-W880 AromaticContact CG-CD1 3.91Å; Y214-W880 AromaticContact CG-NE1 3.74Å; Y214-W880 AromaticContact CZ-NE1 3.77Å; P268-W880 HydrophobicContact CB-CE3 4.18Å; P268-W880 HydrophobicContact CB-CH2 3.84Å; P268-W880 HydrophobicContact CB-CZ3 3.57Å; P268-W880 HydrophobicContact CG-CD2 4.49Å; P268-W880 HydrophobicContact CG-CE3 4.11Å; P268-W880 HydrophobicContact CG-CH2 4.16Å; P268-W880 HydrophobicContact CG-CZ3 3.94Å; I556-W880 HydrophobicContact CB-CH2 4.3Å; I556-W880 HydrophobicContact CG2-CH2 3.53Å; I556-W880 HydrophobicContact CG2-CZ2 3.57Å; L876-W880 PolarHBondContact O-N 2.89Å; L876-W880 VanDerWaalsContact O-N 3.15Å; E877-W880 HydrophobicContact CG-CZ2 4.07Å; E877-W880 PolarHBondContact O-N 3.2Å; L878-W880 PolarHBondContact O-N 3.36Å
881	S	93	Very high	93	Very high	8 Å²	8	50.9 Å²	50.9	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-79.7	-32.2	-179.5	62	0	0	0	0	113.7	R559 E877 L878 V883	R559-S881 PolarHBondContact NH1-O 2.93Å; E877-S881 VanDerWaalsContact O-CB 3.26Å; E877-S881 WeakPolarHBondContact O-CB 3.33Å; E877-S881 PolarHBondContact O-N 2.79Å; E877-S881 PolarHBondContact O-OG 3.4Å; L878-S881 PolarHBondContact O-OG 3.28Å; S881-V883 VanDerWaalsContact C-N 3.32Å; S881-V883 PolarHBondContact OG-N 3.24Å
882	G	90.8	Very high	93	Very high	70 Å²	70	51 Å²	51	72%	0.722	28%	0.275	S	S	*	.			trans	80.9	10.1	-173	0	0	0	0	0	113.9	L878	L878-G882 PolarHBondContact O-N 2.95Å
883	V	92.3	Very high	92.9	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.091	26%	0.263	C	S	.	.			trans	-75.5	146.9	178	175.6	0	0	0	0	110.4	I551 D555 I556 L878 S881 D887	I551-V883 HydrophobicContact CG2-CB 4.29Å; I551-V883 HydrophobicContact CG2-CG1 3.67Å; I551-V883 HydrophobicContact CG2-CG2 3.64Å; D555-V883 HydrophobicContact CB-CG2 4.01Å; I556-V883 HydrophobicContact CD1-CB 4.47Å; I556-V883 HydrophobicContact CD1-CG2 4.12Å; I556-V883 HydrophobicContact CG1-CG2 4.04Å; L878-V883 HydrophobicContact CD2-CB 4.2Å; L878-V883 HydrophobicContact CD2-CG1 4.28Å; L878-V883 WeakPolarHBondContact CD2-O 3.34Å; S881-V883 VanDerWaalsContact C-N 3.32Å; S881-V883 PolarHBondContact OG-N 3.24Å; V883-D887 HydrophobicContact CG1-CB 3.93Å
884	S	91.1	Very high	92.8	Very high	48 Å²	48	50.1 Å²	50.1	34%	0.336	27%	0.265	S	S	.	.			trans	-75.3	150.9	177.6	86.3	0	0	0	0	111.9	N886 D887 L888	S884-N886 PolarHBondContact O-N 3.02Å; S884-D887 WeakPolarHBondContact CB-OD2 3.46Å; S884-D887 PolarHBondContact O-N 2.95Å; S884-D887 PolarHBondContact OG-N 2.77Å; S884-D887 VanDerWaalsContact OG-N 3.13Å; S884-D887 PolarHBondContact OG-OD2 3.44Å; S884-L888 PolarHBondContact O-N 3.07Å
885	I	90.8	Very high	92.8	Very high	117 Å²	117	53.2 Å²	53.2	60%	0.6	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-30.9	175.5	-168.4	163.8	0	0	0	112.2	L878 L888 W889	L878-I885 HydrophobicContact CD1-CB 4.05Å; L878-I885 HydrophobicContact CD1-CG1 4.11Å; I885-L888 PolarHBondContact O-N 2.8Å; I885-W889 WeakPolarHBondContact O-CB 3.42Å; I885-W889 PolarHBondContact O-N 3.32Å
886	N	90.3	Very high	92.9	Very high	116 Å²	116	48.8 Å²	48.8	62%	0.62	25%	0.247	S	C	*	.	H	α-helix	trans	-64.9	-44.3	177.6	-70.7	-28.3	0	0	0	110.8	S884 W889 R890	S884-N886 PolarHBondContact O-N 3.02Å; N886-W889 PolarHBondContact O-N 3.21Å; N886-R890 VanDerWaalsContact O-CG 3.29Å; N886-R890 WeakPolarHBondContact O-CG 3.36Å; N886-R890 PolarHBondContact O-N 3.46Å
887	D	90.2	Very high	92.7	Very high	37 Å²	37	47.8 Å²	47.8	20%	0.198	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-41.2	178.7	-62.3	-44.6	0	0	0	111.6	I551 V883 S884 R890 N891	I551-D887 HydrophobicContact CD1-CB 3.96Å; I551-D887 VanDerWaalsContact CD1-CG 3.43Å; V883-D887 HydrophobicContact CG1-CB 3.93Å; S884-D887 WeakPolarHBondContact CB-OD2 3.46Å; S884-D887 PolarHBondContact O-N 2.95Å; S884-D887 PolarHBondContact OG-N 2.77Å; S884-D887 VanDerWaalsContact OG-N 3.13Å; S884-D887 PolarHBondContact OG-OD2 3.44Å; D887-R890 PolarHBondContact O-N 2.54Å; D887-N891 WeakPolarHBondContact O-CB 3.45Å; D887-N891 PolarHBondContact O-N 3.08Å
888	L	91.2	Very high	92.6	Very high	21 Å²	21	47.1 Å²	47.1	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-47	174.8	-179.9	71.4	0	0	0	111.2	V552 A874 L878 S884 I885 R890 N891 E892	V552-L888 HydrophobicContact CG2-CD1 4.01Å; A874-L888 HydrophobicContact CB-CD2 4.26Å; L878-L888 HydrophobicContact CD1-CD2 3.9Å; L878-L888 HydrophobicContact CD2-CB 3.86Å; L878-L888 HydrophobicContact CD2-CD2 3.88Å; L878-L888 HydrophobicContact CD2-CG 4.38Å; L878-L888 HydrophobicContact CG-CD2 3.96Å; S884-L888 PolarHBondContact O-N 3.07Å; I885-L888 PolarHBondContact O-N 2.8Å; L888-R890 PolarHBondContact O-N 2.94Å; L888-N891 WeakPolarHBondContact O-CB 3.26Å; L888-N891 PolarHBondContact O-N 3.38Å; L888-E892 WeakPolarHBondContact O-CG 3.3Å; L888-E892 PolarHBondContact O-N 2.63Å
889	W	92.6	Very high	92.7	Very high	85 Å²	85	46 Å²	46	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-40.6	179.4	-179.8	-113.9	0	0	0	112.4	I885 N886 N891 E892 Q893 V992 H993	I885-W889 WeakPolarHBondContact O-CB 3.42Å; I885-W889 PolarHBondContact O-N 3.32Å; N886-W889 PolarHBondContact O-N 3.21Å; W889-N891 VanDerWaalsContact C-N 3.32Å; W889-N891 PolarHBondContact O-N 3.37Å; W889-E892 PolarHBondContact O-N 3.42Å; W889-Q893 HydrophobicContact CD2-CG 4.38Å; W889-Q893 HydrophobicContact CZ2-CG 4.15Å; W889-Q893 VanDerWaalsContact NE1-CD 3.33Å; W889-Q893 WeakPolarHBondContact O-CG 3.5Å; W889-Q893 PolarHBondContact O-N 2.89Å; W889-V992 HydrophobicContact CH2-CG1 3.89Å; W889-V992 HydrophobicContact CZ2-CG1 3.51Å; W889-H993 AromaticContact CH2-CE1 3.41Å; W889-H993 VanDerWaalsContact CH2-CE1 3.41Å; W889-H993 WeakPolarHBondContact CH2-CE1 3.44Å; W889-H993 AromaticContact CH2-ND1 3.99Å; W889-H993 AromaticContact CH2-NE2 3.61Å; W889-H993 AromaticContact CZ3-CE1 3.73Å; W889-H993 AromaticContact CZ3-NE2 3.55Å
890	R	90.6	Very high	92.7	Very high	64 Å²	64	39.2 Å²	39.2	24%	0.242	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-40.2	173.6	-69.4	-62.8	179.3	-141.5	-7.2	112	N886 D887 L888 Q893 F894	N886-R890 VanDerWaalsContact O-CG 3.29Å; N886-R890 WeakPolarHBondContact O-CG 3.36Å; N886-R890 PolarHBondContact O-N 3.46Å; D887-R890 PolarHBondContact O-N 2.54Å; L888-R890 PolarHBondContact O-N 2.94Å; R890-Q893 PolarHBondContact O-N 3.2Å; R890-F894 WeakPolarHBondContact O-CB 3.12Å; R890-F894 PolarHBondContact O-N 3.43Å
891	N	92.5	Very high	92.7	Very high	34 Å²	34	38.7 Å²	38.7	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-44.3	174.6	-176.5	83.3	0	0	0	111.7	V552 D887 L888 W889 F894 W895	V552-N891 HydrophobicContact CB-CB 4.47Å; V552-N891 HydrophobicContact CG2-CB 3.72Å; D887-N891 WeakPolarHBondContact O-CB 3.45Å; D887-N891 PolarHBondContact O-N 3.08Å; L888-N891 WeakPolarHBondContact O-CB 3.26Å; L888-N891 PolarHBondContact O-N 3.38Å; W889-N891 VanDerWaalsContact C-N 3.32Å; W889-N891 PolarHBondContact O-N 3.37Å; N891-F894 PolarHBondContact O-N 2.64Å; N891-W895 VanDerWaalsContact O-CB 3.28Å; N891-W895 WeakPolarHBondContact O-CB 3.13Å; N891-W895 PolarHBondContact O-N 3.41Å
892	E	93.1	Very high	92.8	Very high	70 Å²	70	38.3 Å²	38.3	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-44.2	176.3	-71	-58.1	130.9	0	0	112.5	L888 W889 F894 W895 V896	L888-E892 WeakPolarHBondContact O-CG 3.3Å; L888-E892 PolarHBondContact O-N 2.63Å; W889-E892 PolarHBondContact O-N 3.42Å; E892-F894 VanDerWaalsContact C-N 3.34Å; E892-F894 PolarHBondContact O-N 3.38Å; E892-W895 WeakPolarHBondContact O-CB 3.43Å; E892-W895 PolarHBondContact O-N 3.02Å; E892-V896 PolarHBondContact O-N 3.15Å
893	Q	93.6	Very high	93	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.023	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-46.4	175.8	-70	-175.2	-48.4	0	0	111.3	W889 R890 W895 V896 I897 V992 H993 P996	W889-Q893 HydrophobicContact CD2-CG 4.38Å; W889-Q893 HydrophobicContact CZ2-CG 4.15Å; W889-Q893 VanDerWaalsContact NE1-CD 3.33Å; W889-Q893 WeakPolarHBondContact O-CG 3.5Å; W889-Q893 PolarHBondContact O-N 2.89Å; R890-Q893 PolarHBondContact O-N 3.2Å; Q893-W895 VanDerWaalsContact C-N 3.35Å; Q893-V896 PolarHBondContact O-N 3.39Å; Q893-I897 WeakPolarHBondContact O-CD1 3.41Å; Q893-I897 VanDerWaalsContact O-CG1 3.29Å; Q893-I897 WeakPolarHBondContact O-CG1 3.45Å; Q893-I897 PolarHBondContact O-N 2.87Å; Q893-V992 PolarHBondContact NE2-O 2.78Å; Q893-H993 WeakPolarHBondContact CB-O 3.44Å; Q893-P996 HydrophobicContact CB-CG 4.02Å; Q893-P996 HydrophobicContact CG-CG 4.22Å
894	F	93.3	Very high	93.2	Very high	15 Å²	15	35.8 Å²	35.8	7%	0.066	17%	0.173	C	C	.	.	H	α-helix	trans	-69.6	-32.7	178.7	-170.8	-101.7	0	0	0	112.5	Y546 A547 L780 R783 V787 R890 N891 E892 V896 I897 G898	Y546-F894 WeakPolarHBondContact O-CD2 3.36Å; Y546-F894 WeakPolarHBondContact O-CG 3.45Å; A547-F894 HydrophobicContact CB-CB 3.96Å; A547-F894 HydrophobicContact CB-CG 4.35Å; L780-F894 HydrophobicContact CD1-CE2 4.23Å; R783-F894 HydrophobicContact CG-CE1 4.43Å; R783-F894 HydrophobicContact CG-CE2 3.77Å; R783-F894 HydrophobicContact CG-CZ 3.51Å; V787-F894 HydrophobicContact CG2-CE1 3.64Å; V787-F894 HydrophobicContact CG2-CZ 3.72Å; R890-F894 WeakPolarHBondContact O-CB 3.12Å; R890-F894 PolarHBondContact O-N 3.43Å; N891-F894 PolarHBondContact O-N 2.64Å; E892-F894 VanDerWaalsContact C-N 3.34Å; E892-F894 PolarHBondContact O-N 3.38Å; F894-V896 VanDerWaalsContact C-N 3.33Å; F894-V896 PolarHBondContact O-N 3.02Å; F894-I897 PolarHBondContact O-N 3.34Å; F894-G898 PolarHBondContact O-N 2.84Å
895	W	94	Very high	93.3	Very high	97 Å²	97	36.1 Å²	36.1	37%	0.367	17%	0.168	S	C	.	.	H	α-helix	trans	-59.3	-43.1	172.2	173.2	80.9	0	0	0	111.5	F254 T830 L834 N891 E892 Q893 G899	F254-W895 HydrophobicContact CE1-CH2 4.31Å; T830-W895 HydrophobicContact CG2-CZ2 4.07Å; L834-W895 HydrophobicContact CD1-CH2 3.74Å; L834-W895 HydrophobicContact CD1-CZ3 3.83Å; L834-W895 HydrophobicContact CD2-CH2 4.29Å; L834-W895 HydrophobicContact CD2-CZ2 4.4Å; L834-W895 HydrophobicContact CD2-CZ3 4.44Å; N891-W895 VanDerWaalsContact O-CB 3.28Å; N891-W895 WeakPolarHBondContact O-CB 3.13Å; N891-W895 PolarHBondContact O-N 3.41Å; E892-W895 WeakPolarHBondContact O-CB 3.43Å; E892-W895 PolarHBondContact O-N 3.02Å; Q893-W895 VanDerWaalsContact C-N 3.35Å; W895-G899 VanDerWaalsContact O-CA 3.29Å; W895-G899 WeakPolarHBondContact O-CA 3.49Å; W895-G899 PolarHBondContact O-N 2.91Å
896	V	96	Very high	93.4	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-48.7	174.7	-179.6	0	0	0	0	111.1	E892 Q893 F894 G899 V900 H993 L994	E892-V896 PolarHBondContact O-N 3.15Å; Q893-V896 PolarHBondContact O-N 3.39Å; F894-V896 VanDerWaalsContact C-N 3.33Å; F894-V896 PolarHBondContact O-N 3.02Å; V896-G899 PolarHBondContact O-N 3.45Å; V896-V900 HydrophobicContact CG1-CG1 4.47Å; V896-V900 WeakPolarHBondContact O-CG2 3.43Å; V896-V900 PolarHBondContact O-N 3.13Å; V896-H993 HydrophobicContact CB-CB 4.08Å; V896-H993 HydrophobicContact CG1-CB 4.19Å; V896-H993 HydrophobicContact CG2-CB 3.88Å; V896-L994 HydrophobicContact CG1-CD2 3.83Å; V896-L994 HydrophobicContact CG1-CG 4.35Å
897	I	93.2	Very high	93.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-53.1	-178.2	-65.5	162.2	0	0	0	111	L784 Q893 F894 G899 S901 L994 P996 F997	L784-I897 HydrophobicContact CD2-CG2 4.29Å; Q893-I897 WeakPolarHBondContact O-CD1 3.41Å; Q893-I897 VanDerWaalsContact O-CG1 3.29Å; Q893-I897 WeakPolarHBondContact O-CG1 3.45Å; Q893-I897 PolarHBondContact O-N 2.87Å; F894-I897 PolarHBondContact O-N 3.34Å; I897-G899 VanDerWaalsContact C-N 3.34Å; I897-S901 WeakPolarHBondContact O-CB 3.5Å; I897-S901 PolarHBondContact O-N 3.04Å; I897-S901 PolarHBondContact O-OG 3.31Å; I897-L994 HydrophobicContact CG1-CD2 3.71Å; I897-P996 HydrophobicContact CD1-CB 4.4Å; I897-F997 HydrophobicContact CD1-CB 3.84Å; I897-F997 HydrophobicContact CG1-CB 4.1Å; I897-F997 HydrophobicContact CG2-CD2 3.94Å
898	G	93.3	Very high	93.7	Very high	1 Å²	1	29 Å²	29	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-33.8	178.3	0	0	0	0	0	112.8	F894 S901 A902 H903	F894-G898 PolarHBondContact O-N 2.84Å; G898-S901 CarbonylContact O-C 3.59Å; G898-S901 PolarHBondContact O-N 3.41Å; G898-A902 PolarHBondContact O-N 3.07Å; G898-H903 PolarHBondContact O-N 3.14Å
899	G	95.2	Very high	93.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	13%	0.133	C	C	.	.	I	π-helix	trans	-64.2	-50.3	178.5	0	0	0	0	0	113.5	S831 W895 V896 I897 S901	S831-G899 WeakPolarHBondContact CB-O 3.25Å; W895-G899 VanDerWaalsContact O-CA 3.29Å; W895-G899 WeakPolarHBondContact O-CA 3.49Å; W895-G899 PolarHBondContact O-N 2.91Å; V896-G899 PolarHBondContact O-N 3.45Å; I897-G899 VanDerWaalsContact C-N 3.34Å; G899-S901 PolarHBondContact O-N 2.71Å
900	V	95.5	Very high	93.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-75.9	-12.6	-179.7	-56.5	0	0	0	0	113.2	L834 L835 V896 P950 P951 L954	L834-V900 HydrophobicContact CD2-CG1 3.9Å; L834-V900 HydrophobicContact CG-CG1 3.8Å; L835-V900 HydrophobicContact CD1-CB 4.39Å; V896-V900 HydrophobicContact CG1-CG1 4.47Å; V896-V900 WeakPolarHBondContact O-CG2 3.43Å; V896-V900 PolarHBondContact O-N 3.13Å; V900-P950 WeakPolarHBondContact O-CB 3.22Å; V900-P951 HydrophobicContact CG2-CB 4.23Å; V900-P951 HydrophobicContact CG2-CG 3.8Å; V900-L954 HydrophobicContact CB-CD1 3.87Å; V900-L954 HydrophobicContact CG1-CD1 3.74Å; V900-L954 HydrophobicContact CG2-CD1 3.91Å
901	S	94.1	Very high	93.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-112.7	-91	-179.4	61.1	0	0	0	0	112.3	L784 I897 G898 G899 H903 L904 F905 L947	L784-S901 WeakPolarHBondContact CD2-OG 3.35Å; I897-S901 WeakPolarHBondContact O-CB 3.5Å; I897-S901 PolarHBondContact O-N 3.04Å; I897-S901 PolarHBondContact O-OG 3.31Å; G898-S901 CarbonylContact O-C 3.59Å; G898-S901 PolarHBondContact O-N 3.41Å; G899-S901 PolarHBondContact O-N 2.71Å; S901-H903 VanDerWaalsContact C-N 3.33Å; S901-H903 PolarHBondContact O-N 3.1Å; S901-L904 WeakPolarHBondContact O-CB 3.47Å; S901-L904 PolarHBondContact O-N 3.22Å; S901-F905 WeakPolarHBondContact O-CD2 3.34Å; S901-F905 PolarHBondContact O-N 2.81Å; S901-L947 WeakPolarHBondContact CB-O 3.3Å
902	A	94.6	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-52.2	-45.6	-173.6	0	0	0	0	0	113.2	L784 V787 L788 G898 A906	L784-A902 HydrophobicContact CD2-CB 4.45Å; L784-A902 WeakPolarHBondContact O-CB 3.24Å; V787-A902 HydrophobicContact CB-CB 4.03Å; V787-A902 HydrophobicContact CG1-CB 3.78Å; L788-A902 HydrophobicContact CB-CB 4.03Å; L788-A902 WeakPolarHBondContact CD1-O 3.17Å; G898-A902 PolarHBondContact O-N 3.07Å; A902-A906 WeakPolarHBondContact O-CB 2.96Å; A902-A906 PolarHBondContact O-N 3.21Å
903	H	96.5	Very high	92.2	Very high	16 Å²	16	28.6 Å²	28.6	7%	0.074	13%	0.131	C	C	.	.	I	π-helix	trans	-66.7	-41.2	178.5	-61.8	173.2	0	0	0	111.9	V787 Y827 G898 S901 A906 V907	V787-H903 VanDerWaalsContact CG1-CD2 3.48Å; V787-H903 WeakPolarHBondContact CG1-CD2 3.35Å; V787-H903 WeakPolarHBondContact CG1-NE2 3.1Å; Y827-H903 AromaticContact CD2-CE1 3.68Å; Y827-H903 AromaticContact CD2-ND1 3.9Å; Y827-H903 AromaticContact CE2-CD2 3.88Å; Y827-H903 AromaticContact CE2-CE1 3.53Å; Y827-H903 AromaticContact CE2-ND1 3.94Å; Y827-H903 AromaticContact CE2-NE2 3.48Å; Y827-H903 WeakPolarHBondContact CE2-NE2 3.48Å; G898-H903 PolarHBondContact O-N 3.14Å; S901-H903 VanDerWaalsContact C-N 3.33Å; S901-H903 PolarHBondContact O-N 3.1Å; H903-A906 WeakPolarHBondContact O-CB 3.2Å; H903-A906 PolarHBondContact O-N 2.81Å; H903-V907 WeakPolarHBondContact O-CG2 3.12Å; H903-V907 PolarHBondContact O-N 2.91Å
904	L	95.2	Very high	91.5	Very high	16 Å²	16	32 Å²	32	8%	0.084	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-49.4	177.6	-174.5	69.4	0	0	0	111	S831 I832 L835 S901 A906 V907 F908	S831-L904 WeakPolarHBondContact OG-CA 3.37Å; I832-L904 HydrophobicContact CG1-CD1 4.38Å; L835-L904 HydrophobicContact CD2-CD1 4.36Å; L835-L904 HydrophobicContact CD2-CD2 3.88Å; S901-L904 WeakPolarHBondContact O-CB 3.47Å; S901-L904 PolarHBondContact O-N 3.22Å; L904-A906 VanDerWaalsContact C-N 3.34Å; L904-A906 PolarHBondContact O-N 3.02Å; L904-V907 PolarHBondContact O-N 2.75Å; L904-F908 HydrophobicContact CD1-CD2 4.41Å; L904-F908 HydrophobicContact CD1-CE2 3.76Å; L904-F908 HydrophobicContact CG-CD2 4.2Å; L904-F908 HydrophobicContact CG-CE2 3.86Å; L904-F908 WeakPolarHBondContact O-CD2 3.27Å; L904-F908 PolarHBondContact O-N 3.05Å
905	F	93.6	Very high	90.8	Very high	55 Å²	55	37.4 Å²	37.4	24%	0.241	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-38.9	176.9	-85.5	-93	0	0	0	112.1	L788 S901 V907 F908 Q909 T946 L947 P950	L788-F905 HydrophobicContact CD1-CB 3.8Å; S901-F905 WeakPolarHBondContact O-CD2 3.34Å; S901-F905 PolarHBondContact O-N 2.81Å; F905-V907 VanDerWaalsContact C-N 3.35Å; F905-V907 PolarHBondContact O-N 3.34Å; F905-F908 PolarHBondContact O-N 3.31Å; F905-Q909 WeakPolarHBondContact O-CB 3.38Å; F905-Q909 WeakPolarHBondContact O-CG 3.35Å; F905-Q909 PolarHBondContact O-N 3.32Å; F905-T946 WeakPolarHBondContact CZ-O 3.39Å; F905-L947 HydrophobicContact CB-CD2 3.78Å; F905-L947 HydrophobicContact CD1-CD2 4.26Å; F905-L947 HydrophobicContact CD2-CD2 3.54Å; F905-L947 HydrophobicContact CE2-CD2 4.14Å; F905-L947 HydrophobicContact CG-CD2 3.6Å; F905-P950 HydrophobicContact CE2-CG 3.83Å
906	A	93.5	Very high	90	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-41.4	175.2	0	0	0	0	0	112.6	L788 A791 L792 A902 H903 L904 Q909 G910	L788-A906 HydrophobicContact CD1-CB 3.95Å; A791-A906 HydrophobicContact CB-CB 3.43Å; A791-A906 VanDerWaalsContact CB-CB 3.43Å; L792-A906 HydrophobicContact CB-CB 4.26Å; A902-A906 WeakPolarHBondContact O-CB 2.96Å; A902-A906 PolarHBondContact O-N 3.21Å; H903-A906 WeakPolarHBondContact O-CB 3.2Å; H903-A906 PolarHBondContact O-N 2.81Å; L904-A906 VanDerWaalsContact C-N 3.34Å; L904-A906 PolarHBondContact O-N 3.02Å; A906-Q909 PolarHBondContact O-N 2.8Å; A906-G910 PolarHBondContact O-N 3.3Å
907	V	94.6	Very high	88.6	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-47.7	177.2	171.4	0	0	0	0	110.5	V795 P828 F829 I832 H903 L904 F905 L911	V795-V907 HydrophobicContact CG2-CG2 4.24Å; P828-V907 HydrophobicContact CB-CG2 3.98Å; P828-V907 WeakPolarHBondContact O-CG2 3.42Å; F829-V907 HydrophobicContact CD1-CG1 3.95Å; F829-V907 HydrophobicContact CD1-CG2 4.04Å; F829-V907 HydrophobicContact CE1-CG1 3.92Å; F829-V907 HydrophobicContact CE1-CG2 4.35Å; F829-V907 HydrophobicContact CG-CG2 4.34Å; I832-V907 HydrophobicContact CD1-CG1 4.37Å; H903-V907 WeakPolarHBondContact O-CG2 3.12Å; H903-V907 PolarHBondContact O-N 2.91Å; L904-V907 PolarHBondContact O-N 2.75Å; F905-V907 VanDerWaalsContact C-N 3.35Å; F905-V907 PolarHBondContact O-N 3.34Å; V907-L911 HydrophobicContact CG1-CD1 3.89Å; V907-L911 WeakPolarHBondContact O-CB 3.5Å; V907-L911 VanDerWaalsContact O-CG 3.24Å; V907-L911 WeakPolarHBondContact O-CG 3.48Å; V907-L911 PolarHBondContact O-N 2.82Å
908	F	91.5	Very high	87.2	Confident	119 Å²	119	46.3 Å²	46.3	52%	0.522	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-45.5	177.3	-73.8	-67.6	0	0	0	112.5	L904 F905 L911 L912	L904-F908 HydrophobicContact CD1-CD2 4.41Å; L904-F908 HydrophobicContact CD1-CE2 3.76Å; L904-F908 HydrophobicContact CG-CD2 4.2Å; L904-F908 HydrophobicContact CG-CE2 3.86Å; L904-F908 WeakPolarHBondContact O-CD2 3.27Å; L904-F908 PolarHBondContact O-N 3.05Å; F905-F908 PolarHBondContact O-N 3.31Å; F908-L911 PolarHBondContact O-N 2.59Å; F908-L912 WeakPolarHBondContact O-CB 3.33Å; F908-L912 VanDerWaalsContact O-CG 3.24Å; F908-L912 WeakPolarHBondContact O-CG 3.34Å; F908-L912 PolarHBondContact O-N 3.33Å
909	Q	88	Confident	85.3	Confident	57 Å²	57	52.2 Å²	52.2	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-44.1	177.9	-75.8	-176.7	-10.1	0	0	112	L792 F905 A906 L912 K913 T920	L792-Q909 HydrophobicContact CD1-CB 4.01Å; F905-Q909 WeakPolarHBondContact O-CB 3.38Å; F905-Q909 WeakPolarHBondContact O-CG 3.35Å; F905-Q909 PolarHBondContact O-N 3.32Å; A906-Q909 PolarHBondContact O-N 2.8Å; Q909-L912 PolarHBondContact O-N 3.37Å; Q909-K913 WeakPolarHBondContact O-CB 3.47Å; Q909-K913 PolarHBondContact O-N 2.86Å; Q909-T920 HydrophobicContact CB-CG2 4.49Å; Q909-T920 HydrophobicContact CG-CG2 4.41Å
910	G	86.4	Confident	83.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-43	177.9	0	0	0	0	0	112.3	A906 K913 V914	A906-G910 PolarHBondContact O-N 3.3Å; G910-K913 PolarHBondContact O-N 3.2Å; G910-V914 VanDerWaalsContact O-CG2 3.29Å; G910-V914 WeakPolarHBondContact O-CG2 3.24Å; G910-V914 PolarHBondContact O-N 3.03Å
911	L	88	Confident	81	Confident	58 Å²	58	62.5 Å²	62.5	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-45	173.8	-75.8	168.8	0	0	0	112	F799 V907 F908 K913 V914 L915	F799-L911 HydrophobicContact CE1-CD2 4.41Å; F799-L911 HydrophobicContact CE2-CD2 3.77Å; F799-L911 HydrophobicContact CE2-CG 4.36Å; F799-L911 HydrophobicContact CZ-CD2 3.46Å; F799-L911 VanDerWaalsContact CZ-CD2 3.46Å; F799-L911 HydrophobicContact CZ-CG 4.46Å; V907-L911 HydrophobicContact CG1-CD1 3.89Å; V907-L911 WeakPolarHBondContact O-CB 3.5Å; V907-L911 VanDerWaalsContact O-CG 3.24Å; V907-L911 WeakPolarHBondContact O-CG 3.48Å; V907-L911 PolarHBondContact O-N 2.82Å; F908-L911 PolarHBondContact O-N 2.59Å; L911-K913 VanDerWaalsContact C-N 3.33Å; L911-K913 PolarHBondContact O-N 3.39Å; L911-V914 PolarHBondContact O-N 3.49Å; L911-L915 WeakPolarHBondContact O-CB 3.28Å; L911-L915 VanDerWaalsContact O-CG 3.28Å; L911-L915 WeakPolarHBondContact O-CG 3.45Å; L911-L915 PolarHBondContact O-N 2.89Å
912	L	84	Confident	78.6	Confident	89 Å²	89	66.8 Å²	66.8	47%	0.466	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-41.2	177.4	-73.2	171.8	0	0	0	111.8	F908 Q909 F916	F908-L912 WeakPolarHBondContact O-CB 3.33Å; F908-L912 VanDerWaalsContact O-CG 3.24Å; F908-L912 WeakPolarHBondContact O-CG 3.34Å; F908-L912 PolarHBondContact O-N 3.33Å; Q909-L912 PolarHBondContact O-N 3.37Å; L912-F916 HydrophobicContact CD2-CD2 3.66Å; L912-F916 HydrophobicContact CD2-CE2 3.71Å; L912-F916 WeakPolarHBondContact O-CB 3.46Å; L912-F916 PolarHBondContact O-N 3.17Å
913	K	82.1	Confident	76.1	Confident	60 Å²	60	71.4 Å²	71.4	26%	0.261	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.1	-170.5	-178.9	-171	-170.8	0	111.7	E796 Q909 G910 L911 G917 D919	E796-K913 WeakPolarHBondContact OE1-CD 3.46Å; E796-K913 IonicContact OE1-NZ 3.08Å; E796-K913 PolarHBondContact OE1-NZ 3.02Å; Q909-K913 WeakPolarHBondContact O-CB 3.47Å; Q909-K913 PolarHBondContact O-N 2.86Å; G910-K913 PolarHBondContact O-N 3.2Å; L911-K913 VanDerWaalsContact C-N 3.33Å; L911-K913 PolarHBondContact O-N 3.39Å; K913-G917 WeakPolarHBondContact O-CA 3.32Å; K913-G917 PolarHBondContact O-N 3.32Å; K913-D919 VanDerWaalsContact CE-OD1 3.22Å; K913-D919 WeakPolarHBondContact CE-OD1 3.34Å; K913-D919 IonicContact NZ-OD1 2.8Å
914	V	79.7	Confident	73.5	Confident	78 Å²	78	72.1 Å²	72.1	47%	0.473	39%	0.387	S	S	.	.	H	α-helix	trans	-71.8	-39.6	-179.1	173.5	0	0	0	0	112	F799 G910 L911	F799-V914 HydrophobicContact CB-CG1 4.19Å; F799-V914 HydrophobicContact CB-CG2 3.63Å; F799-V914 HydrophobicContact CD1-CG1 4.4Å; F799-V914 HydrophobicContact CD2-CG2 3.89Å; F799-V914 HydrophobicContact CG-CB 4.5Å; F799-V914 HydrophobicContact CG-CG1 4.23Å; F799-V914 HydrophobicContact CG-CG2 3.88Å; G910-V914 VanDerWaalsContact O-CG2 3.29Å; G910-V914 WeakPolarHBondContact O-CG2 3.24Å; G910-V914 PolarHBondContact O-N 3.03Å; L911-V914 PolarHBondContact O-N 3.49Å
915	L	78.5	Confident	71	Confident	128 Å²	128	72.4 Å²	72.4	67%	0.67	39%	0.39	S	S	*	.	H	α-helix	trans	-81.6	-36.9	-176.6	-67.8	172.7	0	0	0	113.5	L911	L911-L915 WeakPolarHBondContact O-CB 3.28Å; L911-L915 VanDerWaalsContact O-CG 3.28Å; L911-L915 WeakPolarHBondContact O-CG 3.45Å; L911-L915 PolarHBondContact O-N 2.89Å
916	F	75.9	Confident	68.6	Low	145 Å²	145	72.1 Å²	72.1	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-117.5	-5.8	-172.1	-60	-74.9	0	0	0	114.2	L912 V918	L912-F916 HydrophobicContact CD2-CD2 3.66Å; L912-F916 HydrophobicContact CD2-CE2 3.71Å; L912-F916 WeakPolarHBondContact O-CB 3.46Å; L912-F916 PolarHBondContact O-N 3.17Å; F916-V918 HydrophobicContact CB-CG2 3.97Å; F916-V918 PolarHBondContact O-N 3.29Å
917	G	67.5	Low	66.1	Low	59 Å²	59	74 Å²	74	61%	0.608	40%	0.403	S	S	*	.			trans	68.3	17.5	-179.2	0	0	0	0	0	114.6	K913 D919	K913-G917 WeakPolarHBondContact O-CA 3.32Å; K913-G917 PolarHBondContact O-N 3.32Å; G917-D919 PolarHBondContact O-N 3.17Å
918	V	63	Low	63.4	Low	89 Å²	89	75.7 Å²	75.7	54%	0.539	42%	0.42	S	S	.	.			trans	-77.3	109.6	-179.6	-178.2	0	0	0	0	109.7	F916	F916-V918 HydrophobicContact CB-CG2 3.97Å; F916-V918 PolarHBondContact O-N 3.29Å
919	D	55.2	Low	60.8	Low	125 Å²	125	73.5 Å²	73.5	67%	0.668	42%	0.424	S	S	*	.			trans	-70.8	130.2	171.1	-86.7	-36.2	0	0	0	111.1	K913 G917	K913-D919 VanDerWaalsContact CE-OD1 3.22Å; K913-D919 WeakPolarHBondContact CE-OD1 3.34Å; K913-D919 IonicContact NZ-OD1 2.8Å; G917-D919 PolarHBondContact O-N 3.17Å
920	T	53	Low	58	Low	53 Å²	53	74.5 Å²	74.5	33%	0.325	44%	0.437	S	S	.	.			trans	-83	128	174.4	50.8	0	0	0	0	110.1	Q909 F922	Q909-T920 HydrophobicContact CB-CG2 4.49Å; Q909-T920 HydrophobicContact CG-CG2 4.41Å; T920-F922 PolarHBondContact O-N 2.77Å; T920-F922 VanDerWaalsContact O-N 3.08Å
921	N	46.3	Very low	55.5	Low	164 Å²	164	81.9 Å²	81.9	88%	0.877	48%	0.477	S	S	*	.			trans	-59.9	114.7	173.2	-85.5	-22.4	0	0	0	109.9	T923	N921-T923 PolarHBondContact O-N 3.23Å
922	F	43.6	Very low	53.1	Low	89 Å²	89	88.7 Å²	88.7	39%	0.39	51%	0.507	S	S	.	.			trans	-75.3	116.9	-176.3	-178.8	-100.7	0	0	0	111.1	V745 R789 T920 V924	V745-F922 HydrophobicContact CG1-CE2 4.13Å; R789-F922 HydrophobicContact CG-CE2 4.4Å; T920-F922 PolarHBondContact O-N 2.77Å; T920-F922 VanDerWaalsContact O-N 3.08Å; F922-V924 HydrophobicContact CD1-CG2 4.08Å; F922-V924 HydrophobicContact CE1-CG2 3.74Å
923	T	42.4	Very low	51	Low	98 Å²	98	89.1 Å²	89.1	60%	0.601	52%	0.524	S	S	*	.			trans	-93.6	113.5	172.3	14.7	0	0	0	0	109.9	N921 T925	N921-T923 PolarHBondContact O-N 3.23Å; T923-T925 PolarHBondContact O-N 2.84Å
924	V	41.8	Very low	49	Very low	31 Å²	31	92.3 Å²	92.3	19%	0.188	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-66.7	123.1	168.1	176.7	0	0	0	0	107.9	V301 K305 F922 S926	V301-V924 HydrophobicContact CG1-CG2 4.13Å; K305-V924 HydrophobicContact CB-CG1 4.35Å; K305-V924 HydrophobicContact CD-CB 3.72Å; K305-V924 HydrophobicContact CD-CG1 3.81Å; K305-V924 HydrophobicContact CD-CG2 4.42Å; F922-V924 HydrophobicContact CD1-CG2 4.08Å; F922-V924 HydrophobicContact CE1-CG2 3.74Å; V924-S926 PolarHBondContact O-N 3.22Å
925	T	43.4	Very low	47.3	Very low	22 Å²	22	96.7 Å²	96.7	14%	0.135	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-71	123.4	175.3	43.9	0	0	0	0	109.6	H785 R789 T923 K927	H785-T925 HydrophobicContact CB-CG2 3.99Å; R789-T925 PolarHBondContact NH2-OG1 2.8Å; R789-T925 VanDerWaalsContact NH2-OG1 3.07Å; T923-T925 PolarHBondContact O-N 2.84Å; T925-K927 PolarHBondContact O-N 2.67Å
926	S	43.2	Very low	45.7	Very low	49 Å²	49	94.1 Å²	94.1	34%	0.343	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-64.6	125.2	172.5	53.6	0	0	0	0	110	V924	V924-S926 PolarHBondContact O-N 3.22Å
927	K	40.7	Very low	44.2	Very low	40 Å²	40	88.4 Å²	88.4	17%	0.174	52%	0.524	C	S	.	.			trans	-113.7	73.9	171.7	-61.8	-174.9	-169.9	-179.8	0	108.6	D503 T925	D503-K927 IonicContact OD1-NZ 2.71Å; D503-K927 WeakPolarHBondContact OD2-CD 3.37Å; D503-K927 WeakPolarHBondContact OD2-CE 3.39Å; D503-K927 IonicContact OD2-NZ 2.84Å; D503-K927 PolarHBondContact OD2-NZ 2.96Å; T925-K927 PolarHBondContact O-N 2.67Å
928	G	38	Very low	43.2	Very low	37 Å²	37	87.4 Å²	87.4	38%	0.381	51%	0.505	S	S	.	.			trans	-141.1	131.8	173.1	0	0	0	0	0	109
929	A	36.3	Very low	42.3	Very low	72 Å²	72	84.1 Å²	84.1	60%	0.595	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-72.9	137.7	159.9	0	0	0	0	0	107.6	I778	I778-A929 HydrophobicContact CD1-CB 3.63Å
930	S	29.8	Very low	41.8	Very low	78 Å²	78	83.3 Å²	83.3	55%	0.545	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-72.3	143.9	166.8	59.2	0	0	0	0	109.9	E932 D938	S930-E932 PolarHBondContact O-N 2.96Å; S930-D938 PolarHBondContact N-OD2 3.02Å; S930-D938 PolarHBondContact OG-OD1 2.84Å; S930-D938 PolarHBondContact OG-OD2 2.8Å
931	D	33.2	Very low	41.4	Very low	155 Å²	155	84 Å²	84	83%	0.829	47%	0.474	S	S	*	.	S	Bend	trans	-57.6	126.5	-172.4	-66.7	-42.6	0	0	0	113.4	A933	D931-A933 PolarHBondContact O-N 3.17Å
932	E	37.6	Very low	41.6	Very low	202 Å²	202	79 Å²	79	94%	0.944	44%	0.444	S	S	*	.	S	Bend	trans	53	24.6	147.3	-64.6	-167	161.3	0	0	123.5	S930	S930-E932 PolarHBondContact O-N 2.96Å
933	A	39.8	Very low	42.3	Very low	98 Å²	98	79.2 Å²	79.2	81%	0.81	45%	0.445	S	S	*	.	S	Bend	trans	-109.7	-21.8	175.5	0	0	0	0	0	118.1	D931	D931-A933 PolarHBondContact O-N 3.17Å
934	D	41.2	Very low	43	Very low	126 Å²	126	81.6 Å²	81.6	67%	0.674	44%	0.443	S	S	*	.			trans	-166.7	118.6	168.9	-156.2	-5.8	0	0	0	107.4	F936 G937	D934-F936 PolarHBondContact O-N 3.12Å; D934-G937 PolarHBondContact O-N 3.39Å
935	E	43.8	Very low	44.5	Very low	170 Å²	170	80.6 Å²	80.6	79%	0.794	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-17.7	-173	-165.4	175	-179.5	0	0	112.8
936	F	44.7	Very low	46.2	Very low	74 Å²	74	82.4 Å²	82.4	33%	0.325	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	11.3	177.5	-57.9	-75.1	0	0	0	115	D541 D934 D938 L939 Y940	D541-F936 HydrophobicContact CB-CD1 4.3Å; D541-F936 HydrophobicContact CB-CE1 4.26Å; D934-F936 PolarHBondContact O-N 3.12Å; F936-D938 PolarHBondContact O-N 2.58Å; F936-L939 HydrophobicContact CB-CD1 3.68Å; F936-L939 HydrophobicContact CD1-CD1 3.58Å; F936-L939 HydrophobicContact CG-CD1 4.11Å; F936-L939 WeakPolarHBondContact O-CB 3.23Å; F936-L939 WeakPolarHBondContact O-CD1 3.42Å; F936-L939 PolarHBondContact O-N 2.85Å; F936-Y940 WeakPolarHBondContact O-CD2 3.37Å
937	G	42.8	Very low	48.2	Very low	25 Å²	25	80.2 Å²	80.2	26%	0.258	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-63	-41.7	-177	0	0	0	0	0	113.3	D934 L939 Y940	D934-G937 PolarHBondContact O-N 3.39Å; G937-L939 PolarHBondContact O-N 3.28Å; G937-Y940 PolarHBondContact O-N 2.82Å; G937-Y940 VanDerWaalsContact O-N 3.16Å
938	D	47.4	Very low	50.4	Low	39 Å²	39	78.9 Å²	78.9	21%	0.209	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-66.1	-19.7	179.3	-77.7	-15.4	0	0	0	113.3	I778 S930 F936 Y940 L941	I778-D938 HydrophobicContact CG2-CB 3.85Å; S930-D938 PolarHBondContact N-OD2 3.02Å; S930-D938 PolarHBondContact OG-OD1 2.84Å; S930-D938 PolarHBondContact OG-OD2 2.8Å; F936-D938 PolarHBondContact O-N 2.58Å; D938-Y940 PolarHBondContact O-N 3.3Å; D938-L941 HydrophobicContact CB-CD1 4.5Å; D938-L941 PolarHBondContact O-N 3.03Å; D938-L941 WeakPolarHBondContact OD1-CD1 3.44Å
939	L	43.8	Very low	52.7	Low	19 Å²	19	79.7 Å²	79.7	10%	0.099	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-68.3	-23.2	175.2	-74.1	100.9	0	0	0	113.1	D541 I778 F936 G937	D541-L939 HydrophobicContact CB-CD2 3.9Å; I778-L939 HydrophobicContact CG2-CD1 3.75Å; I778-L939 HydrophobicContact CG2-CG 3.74Å; I778-L939 WeakPolarHBondContact O-CG 3.44Å; F936-L939 HydrophobicContact CB-CD1 3.68Å; F936-L939 HydrophobicContact CD1-CD1 3.58Å; F936-L939 HydrophobicContact CG-CD1 4.11Å; F936-L939 WeakPolarHBondContact O-CB 3.23Å; F936-L939 WeakPolarHBondContact O-CD1 3.42Å; F936-L939 PolarHBondContact O-N 2.85Å; G937-L939 PolarHBondContact O-N 3.28Å
940	Y	45.6	Very low	55.3	Low	109 Å²	109	77.1 Å²	77.1	43%	0.427	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-91	-7.6	178.2	-66.5	-86.1	0	0	0	112.9	F936 G937 D938 F942	F936-Y940 WeakPolarHBondContact O-CD2 3.37Å; G937-Y940 PolarHBondContact O-N 2.82Å; G937-Y940 VanDerWaalsContact O-N 3.16Å; D938-Y940 PolarHBondContact O-N 3.3Å; Y940-F942 PolarHBondContact O-N 3.42Å; Y940-F942 VanDerWaalsContact O-N 3.1Å
941	L	44.2	Very low	58.3	Low	67 Å²	67	73.4 Å²	73.4	35%	0.351	37%	0.374	S	S	.	.			trans	-76.1	99.4	176.6	-67.3	177.9	0	0	0	110.4	D938 K943	D938-L941 HydrophobicContact CB-CD1 4.5Å; D938-L941 PolarHBondContact O-N 3.03Å; D938-L941 WeakPolarHBondContact OD1-CD1 3.44Å; L941-K943 PolarHBondContact O-N 3.22Å; L941-K943 VanDerWaalsContact O-N 3.1Å
942	F	50.4	Low	60.9	Low	59 Å²	59	66.5 Å²	66.5	26%	0.259	34%	0.337	S	S	.	.			trans	-73.8	93.8	166.3	-102.3	-104.4	0	0	0	109.9	L780 Y940 W944 L948 F997 G1000 L1001	L780-F942 HydrophobicContact CD2-CE1 3.95Å; L780-F942 HydrophobicContact CD2-CE2 4.28Å; L780-F942 HydrophobicContact CD2-CZ 3.51Å; Y940-F942 PolarHBondContact O-N 3.42Å; Y940-F942 VanDerWaalsContact O-N 3.1Å; F942-W944 PolarHBondContact O-N 3.18Å; F942-L948 HydrophobicContact CD1-CD1 3.52Å; F942-L948 HydrophobicContact CD1-CD2 4.35Å; F942-L948 HydrophobicContact CE1-CD1 3.83Å; F942-L948 HydrophobicContact CE1-CD2 3.89Å; F942-L948 HydrophobicContact CE1-CG 4.46Å; F942-F997 HydrophobicContact CE1-CE2 4.35Å; F942-G1000 WeakPolarHBondContact CD2-O 3.4Å; F942-G1000 VanDerWaalsContact CE2-CA 3.46Å; F942-G1000 VanDerWaalsContact CE2-O 3.31Å; F942-G1000 WeakPolarHBondContact CE2-O 3.44Å; F942-L1001 HydrophobicContact CD1-CD2 3.92Å; F942-L1001 HydrophobicContact CE1-CD2 3.62Å; F942-L1001 HydrophobicContact CE1-CG 4.15Å; F942-L1001 HydrophobicContact CZ-CD2 4.13Å; F942-L1001 HydrophobicContact CZ-CG 4.2Å
943	K	57.7	Low	63.4	Low	94 Å²	94	58 Å²	58	41%	0.409	30%	0.299	S	S	.	.			trans	-66.6	124.7	163.1	-67.9	-179.6	-175.8	170.2	0	108.2	D782 L941 T945	D782-K943 IonicContact OD2-NZ 3.97Å; D782-K943 PolarHBondContact OD2-NZ 2.97Å; L941-K943 PolarHBondContact O-N 3.22Å; L941-K943 VanDerWaalsContact O-N 3.1Å; K943-T945 PolarHBondContact O-N 3.49Å
944	W	58.5	Low	66	Low	148 Å²	148	53.7 Å²	53.7	56%	0.561	26%	0.262	S	S	*	.			trans	-65.9	130.8	-178.1	-176.6	87.9	0	0	0	110.8	F942 T946	F942-W944 PolarHBondContact O-N 3.18Å; W944-T946 HydrophobicContact CH2-CG2 4.03Å; W944-T946 HydrophobicContact CZ3-CG2 4.49Å
945	T	72.6	Confident	68.4	Low	10 Å²	10	47.9 Å²	47.9	6%	0.061	23%	0.231	C	C	.	.			trans	-147.5	149.2	173.5	179.4	0	0	0	0	109.6	H785 K943 L947 L948	H785-T945 PolarHBondContact NE2-OG1 2.8Å; K943-T945 PolarHBondContact O-N 3.49Å; T945-L947 HydrophobicContact CG2-CB 3.89Å; T945-L947 HydrophobicContact CG2-CG 4.36Å; T945-L947 PolarHBondContact O-N 2.77Å; T945-L947 VanDerWaalsContact O-N 3.12Å; T945-L948 HydrophobicContact CG2-CD1 4.26Å; T945-L948 HydrophobicContact CG2-CD2 4.14Å; T945-L948 HydrophobicContact CG2-CG 3.72Å; T945-L948 WeakPolarHBondContact O-CB 3.15Å; T945-L948 WeakPolarHBondContact O-CG 3.5Å; T945-L948 PolarHBondContact O-N 2.84Å
946	T	78.7	Confident	70.6	Confident	60 Å²	60	42.4 Å²	42.4	37%	0.368	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.4	-19	177.2	51.5	0	0	0	0	112.5	F905 W944 L948 I949	F905-T946 WeakPolarHBondContact CZ-O 3.39Å; W944-T946 HydrophobicContact CH2-CG2 4.03Å; W944-T946 HydrophobicContact CZ3-CG2 4.49Å; T946-L948 PolarHBondContact O-N 2.88Å; T946-I949 HydrophobicContact CG2-CD1 4.37Å; T946-I949 WeakPolarHBondContact O-CB 3.31Å; T946-I949 PolarHBondContact O-N 3.35Å
947	L	86.2	Confident	72.9	Confident	2 Å²	2	41 Å²	41	1%	0.01	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.3	-20.1	174.1	-55.3	177.2	0	0	0	113.1	L784 L788 S901 F905 T945 I949 P951	L784-L947 HydrophobicContact CB-CD1 3.86Å; L784-L947 HydrophobicContact CD1-CB 4.28Å; L788-L947 HydrophobicContact CB-CD1 4.46Å; L788-L947 HydrophobicContact CD2-CD1 4.21Å; L788-L947 HydrophobicContact CD2-CD2 4.33Å; S901-L947 WeakPolarHBondContact CB-O 3.3Å; F905-L947 HydrophobicContact CB-CD2 3.78Å; F905-L947 HydrophobicContact CD1-CD2 4.26Å; F905-L947 HydrophobicContact CD2-CD2 3.54Å; F905-L947 HydrophobicContact CE2-CD2 4.14Å; F905-L947 HydrophobicContact CG-CD2 3.6Å; T945-L947 HydrophobicContact CG2-CB 3.89Å; T945-L947 HydrophobicContact CG2-CG 4.36Å; T945-L947 PolarHBondContact O-N 2.77Å; T945-L947 VanDerWaalsContact O-N 3.12Å; L947-I949 VanDerWaalsContact C-N 3.35Å; L947-P951 WeakPolarHBondContact O-CD 3.24Å
948	L	86	Confident	75.2	Confident	12 Å²	12	39.9 Å²	39.9	6%	0.063	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-80.9	-16.2	178.8	-54.5	179.3	0	0	0	113.1	L780 L784 F942 T945 T946 T952 F997	L780-L948 HydrophobicContact CD2-CD2 4.41Å; L784-L948 HydrophobicContact CD1-CD2 3.75Å; F942-L948 HydrophobicContact CD1-CD1 3.52Å; F942-L948 HydrophobicContact CD1-CD2 4.35Å; F942-L948 HydrophobicContact CE1-CD1 3.83Å; F942-L948 HydrophobicContact CE1-CD2 3.89Å; F942-L948 HydrophobicContact CE1-CG 4.46Å; T945-L948 HydrophobicContact CG2-CD1 4.26Å; T945-L948 HydrophobicContact CG2-CD2 4.14Å; T945-L948 HydrophobicContact CG2-CG 3.72Å; T945-L948 WeakPolarHBondContact O-CB 3.15Å; T945-L948 WeakPolarHBondContact O-CG 3.5Å; T945-L948 PolarHBondContact O-N 2.84Å; T946-L948 PolarHBondContact O-N 2.88Å; L948-T952 WeakPolarHBondContact O-CB 3.31Å; L948-T952 PolarHBondContact O-N 3.04Å; L948-T952 PolarHBondContact O-OG1 3.08Å; L948-F997 HydrophobicContact CB-CE2 4.41Å; L948-F997 HydrophobicContact CB-CZ 4.03Å; L948-F997 HydrophobicContact CD2-CE2 3.58Å; L948-F997 HydrophobicContact CD2-CZ 4.03Å
949	I	86.8	Confident	77.3	Confident	54 Å²	54	41.8 Å²	41.8	28%	0.277	20%	0.199	S	C	.	.	H	α-helix	trans	-64.2	-51.4	-174	-62	170.3	0	0	0	111.4	T946 L947 T952 T953 L1019	T946-I949 HydrophobicContact CG2-CD1 4.37Å; T946-I949 WeakPolarHBondContact O-CB 3.31Å; T946-I949 PolarHBondContact O-N 3.35Å; L947-I949 VanDerWaalsContact C-N 3.35Å; I949-T952 PolarHBondContact O-N 2.95Å; I949-T953 WeakPolarHBondContact O-CB 3.36Å; I949-T953 PolarHBondContact O-N 3.08Å; I949-T953 PolarHBondContact O-OG1 3.41Å; I949-L1019 HydrophobicContact CG2-CD1 3.95Å
950	P	91	Very high	79.4	Confident	18 Å²	18	44.7 Å²	44.7	12%	0.117	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-48.3	-176.6	-18.3	30	0	0	0	114.4	V900 F905 T952 T953 L954	V900-P950 WeakPolarHBondContact O-CB 3.22Å; F905-P950 HydrophobicContact CE2-CG 3.83Å; P950-T952 VanDerWaalsContact C-N 3.33Å; P950-T952 PolarHBondContact O-N 3.3Å; P950-T953 PolarHBondContact O-N 2.98Å; P950-L954 WeakPolarHBondContact O-CG 3.26Å; P950-L954 PolarHBondContact O-N 3.39Å
951	P	92.1	Very high	81.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-41.4	177	-19.5	28	0	0	0	112.8	V900 L947 T953 L954 I955 L994 F997	V900-P951 HydrophobicContact CG2-CB 4.23Å; V900-P951 HydrophobicContact CG2-CG 3.8Å; L947-P951 WeakPolarHBondContact O-CD 3.24Å; P951-T953 VanDerWaalsContact C-N 3.34Å; P951-T953 PolarHBondContact O-N 2.76Å; P951-L954 PolarHBondContact O-N 3.47Å; P951-I955 WeakPolarHBondContact O-CG1 3.14Å; P951-I955 PolarHBondContact O-N 2.91Å; P951-L994 HydrophobicContact CB-CD2 4.35Å; P951-F997 HydrophobicContact CB-CD1 4.06Å; P951-F997 HydrophobicContact CB-CD2 4.14Å; P951-F997 HydrophobicContact CB-CE1 3.81Å; P951-F997 HydrophobicContact CB-CE2 3.92Å; P951-F997 HydrophobicContact CB-CG 4.22Å; P951-F997 HydrophobicContact CB-CZ 3.77Å; P951-F997 HydrophobicContact CG-CE2 4.07Å; P951-F997 HydrophobicContact CG-CZ 4.19Å
952	T	88.4	Confident	83.7	Confident	10 Å²	10	37.3 Å²	37.3	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-42.8	177.5	-52.3	0	0	0	0	111.2	L948 I949 P950 I955 I956 F997 L1001 V1012	L948-T952 WeakPolarHBondContact O-CB 3.31Å; L948-T952 PolarHBondContact O-N 3.04Å; L948-T952 PolarHBondContact O-OG1 3.08Å; I949-T952 PolarHBondContact O-N 2.95Å; P950-T952 VanDerWaalsContact C-N 3.33Å; P950-T952 PolarHBondContact O-N 3.3Å; T952-I955 PolarHBondContact O-N 3.14Å; T952-I956 HydrophobicContact CG2-CD1 3.92Å; T952-I956 WeakPolarHBondContact O-CG1 3.42Å; T952-I956 PolarHBondContact O-N 3.32Å; T952-F997 VanDerWaalsContact OG1-CE1 3.28Å; T952-F997 WeakPolarHBondContact OG1-CE1 3.31Å; T952-F997 WeakPolarHBondContact OG1-CZ 3.32Å; T952-L1001 HydrophobicContact CG2-CD1 4.29Å; T952-V1012 HydrophobicContact CG2-CG1 4.08Å
953	T	90.4	Very high	85.6	Confident	25 Å²	25	39.4 Å²	39.4	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-44.8	178.7	-55.7	0	0	0	0	110.8	I949 P950 P951 I955 I956 L957	I949-T953 WeakPolarHBondContact O-CB 3.36Å; I949-T953 PolarHBondContact O-N 3.08Å; I949-T953 PolarHBondContact O-OG1 3.41Å; P950-T953 PolarHBondContact O-N 2.98Å; P951-T953 VanDerWaalsContact C-N 3.34Å; P951-T953 PolarHBondContact O-N 2.76Å; T953-I955 PolarHBondContact O-N 3.13Å; T953-I956 PolarHBondContact O-N 3.39Å; T953-L957 WeakPolarHBondContact O-CB 3.35Å; T953-L957 PolarHBondContact O-N 3.25Å
954	L	93.7	Very high	86.9	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-41.3	176.9	-73.2	174.6	0	0	0	112.6	L835 C838 T839 V900 P950 P951 N958 L994	L835-L954 HydrophobicContact CD1-CD1 4.11Å; L835-L954 HydrophobicContact CD1-CD2 4.31Å; L835-L954 HydrophobicContact CD1-CG 4.37Å; C838-L954 HydrophobicContact CB-CD1 3.72Å; C838-L954 HydrophobicContact CB-CD2 3.81Å; C838-L954 HydrophobicContact CB-CG 4.35Å; T839-L954 VanDerWaalsContact OG1-CD2 3.31Å; T839-L954 WeakPolarHBondContact OG1-CD2 3.34Å; V900-L954 HydrophobicContact CB-CD1 3.87Å; V900-L954 HydrophobicContact CG1-CD1 3.74Å; V900-L954 HydrophobicContact CG2-CD1 3.91Å; P950-L954 WeakPolarHBondContact O-CG 3.26Å; P950-L954 PolarHBondContact O-N 3.39Å; P951-L954 PolarHBondContact O-N 3.47Å; L954-N958 WeakPolarHBondContact O-CB 3.39Å; L954-N958 PolarHBondContact O-N 3.01Å; L954-N958 PolarHBondContact O-ND2 3.33Å; L954-L994 HydrophobicContact CB-CD1 3.92Å; L954-L994 HydrophobicContact CD1-CD1 4.45Å
955	I	92	Very high	88.3	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-52.9	175.6	-75.8	163.2	0	0	0	110.2	P951 T952 T953 L957 N958 M959 L994 F997 L998	P951-I955 WeakPolarHBondContact O-CG1 3.14Å; P951-I955 PolarHBondContact O-N 2.91Å; T952-I955 PolarHBondContact O-N 3.14Å; T953-I955 PolarHBondContact O-N 3.13Å; I955-L957 PolarHBondContact O-N 3.32Å; I955-N958 PolarHBondContact O-N 2.59Å; I955-M959 HydrophobicContact CG2-CE 3.18Å; I955-M959 WeakPolarHBondContact O-CG 3.34Å; I955-M959 PolarHBondContact O-N 2.67Å; I955-L994 HydrophobicContact CD1-CB 3.91Å; I955-L994 HydrophobicContact CD1-CD1 4.48Å; I955-L994 HydrophobicContact CG1-CB 3.75Å; I955-L994 HydrophobicContact CG1-CD1 3.78Å; I955-L994 HydrophobicContact CG1-CG 4.42Å; I955-F997 HydrophobicContact CD1-CD1 3.58Å; I955-F997 HydrophobicContact CD1-CE1 4.16Å; I955-L998 HydrophobicContact CD1-CB 4.11Å; I955-L998 HydrophobicContact CG2-CD1 4.29Å
956	I	90.5	Very high	89	Confident	55 Å²	55	31.5 Å²	31.5	28%	0.282	18%	0.184	S	C	.	.	H	α-helix	trans	-63.3	-46	-177.6	-69	166.7	0	0	0	110.6	T952 T953 N958 M959 V960	T952-I956 HydrophobicContact CG2-CD1 3.92Å; T952-I956 WeakPolarHBondContact O-CG1 3.42Å; T952-I956 PolarHBondContact O-N 3.32Å; T953-I956 PolarHBondContact O-N 3.39Å; I956-N958 VanDerWaalsContact C-N 3.35Å; I956-N958 PolarHBondContact O-N 3.21Å; I956-M959 PolarHBondContact O-N 3.25Å; I956-V960 HydrophobicContact CG2-CG2 4.25Å; I956-V960 WeakPolarHBondContact O-CB 3.24Å; I956-V960 WeakPolarHBondContact O-CG2 3.45Å; I956-V960 PolarHBondContact O-N 3.1Å
957	L	91.8	Very high	89.4	Confident	45 Å²	45	31.5 Å²	31.5	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-40.8	-179.1	-179.8	137	0	0	0	111.8	T839 A842 T953 I955 G961	T839-L957 HydrophobicContact CG2-CD2 3.95Å; A842-L957 HydrophobicContact CB-CD2 3.15Å; A842-L957 HydrophobicContact CB-CG 3.91Å; A842-L957 WeakPolarHBondContact CB-O 3.15Å; T953-L957 WeakPolarHBondContact O-CB 3.35Å; T953-L957 PolarHBondContact O-N 3.25Å; I955-L957 PolarHBondContact O-N 3.32Å; L957-G961 PolarHBondContact O-N 3.17Å
958	N	92.4	Very high	89.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.5	-37	173.4	-79.2	-83.4	0	0	0	112.7	C838 L954 I955 I956 G961 V962 I991	C838-N958 PolarHBondContact O-ND2 3.25Å; L954-N958 WeakPolarHBondContact O-CB 3.39Å; L954-N958 PolarHBondContact O-N 3.01Å; L954-N958 PolarHBondContact O-ND2 3.33Å; I955-N958 PolarHBondContact O-N 2.59Å; I956-N958 VanDerWaalsContact C-N 3.35Å; I956-N958 PolarHBondContact O-N 3.21Å; N958-G961 PolarHBondContact O-N 3.28Å; N958-V962 VanDerWaalsContact O-CG2 3.3Å; N958-V962 WeakPolarHBondContact O-CG2 3.28Å; N958-V962 PolarHBondContact O-N 3.1Å; N958-I991 HydrophobicContact CB-CD1 4.1Å; N958-I991 HydrophobicContact CB-CG1 4.02Å
959	M	90.5	Very high	89.2	Confident	80 Å²	80	34.8 Å²	34.8	39%	0.394	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-46.2	173.8	-74.1	-159.7	-131.7	0	0	112.1	I955 I956 G961 V962 V963 I991 L998	I955-M959 HydrophobicContact CG2-CE 3.18Å; I955-M959 WeakPolarHBondContact O-CG 3.34Å; I955-M959 PolarHBondContact O-N 2.67Å; I956-M959 PolarHBondContact O-N 3.25Å; M959-G961 VanDerWaalsContact C-N 3.31Å; M959-G961 PolarHBondContact O-N 2.95Å; M959-V962 PolarHBondContact O-N 3.08Å; M959-V963 WeakPolarHBondContact O-CG2 3.28Å; M959-V963 PolarHBondContact O-N 3.5Å; M959-I991 HydrophobicContact CG-CD1 4.2Å; M959-L998 HydrophobicContact CE-CD1 4.2Å; M959-L998 HydrophobicContact CE-CD2 4.1Å
960	V	88.9	Confident	89.1	Confident	80 Å²	80	37.5 Å²	37.5	49%	0.485	22%	0.218	S	C	.	.	H	α-helix	trans	-60.6	-43	175.3	172	0	0	0	0	110.3	L846 I956 V962 V963 A964	L846-V960 HydrophobicContact CD2-CG1 4.4Å; I956-V960 HydrophobicContact CG2-CG2 4.25Å; I956-V960 WeakPolarHBondContact O-CB 3.24Å; I956-V960 WeakPolarHBondContact O-CG2 3.45Å; I956-V960 PolarHBondContact O-N 3.1Å; V960-V962 PolarHBondContact O-N 3.46Å; V960-V963 PolarHBondContact O-N 3.39Å; V960-A964 WeakPolarHBondContact O-CB 3.06Å; V960-A964 PolarHBondContact O-N 3.38Å
961	G	89.4	Confident	88.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-46.1	173.2	0	0	0	0	0	112.6	L845 L957 N958 M959 A964 G965	L845-G961 VanDerWaalsContact CB-O 3.29Å; L845-G961 WeakPolarHBondContact CB-O 3.32Å; L957-G961 PolarHBondContact O-N 3.17Å; N958-G961 PolarHBondContact O-N 3.28Å; M959-G961 VanDerWaalsContact C-N 3.31Å; M959-G961 PolarHBondContact O-N 2.95Å; G961-A964 PolarHBondContact O-N 2.83Å; G961-G965 PolarHBondContact O-N 3.24Å
962	V	90.6	Very high	88.4	Confident	20 Å²	20	47.5 Å²	47.5	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-47.3	177.7	167.3	0	0	0	0	111.1	L845 N958 M959 V960 G965 V966 L984 A987 F988	L845-V962 HydrophobicContact CD1-CG2 4.15Å; N958-V962 VanDerWaalsContact O-CG2 3.3Å; N958-V962 WeakPolarHBondContact O-CG2 3.28Å; N958-V962 PolarHBondContact O-N 3.1Å; M959-V962 PolarHBondContact O-N 3.08Å; V960-V962 PolarHBondContact O-N 3.46Å; V962-G965 PolarHBondContact O-N 3.03Å; V962-V966 HydrophobicContact CG1-CG2 4.48Å; V962-V966 WeakPolarHBondContact O-CB 3.23Å; V962-V966 VanDerWaalsContact O-CG2 3.28Å; V962-V966 WeakPolarHBondContact O-CG2 3.15Å; V962-V966 PolarHBondContact O-N 3.46Å; V962-L984 HydrophobicContact CB-CD2 4.23Å; V962-L984 HydrophobicContact CG1-CD2 3.93Å; V962-L984 HydrophobicContact CG2-CD2 3.97Å; V962-A987 HydrophobicContact CG2-CB 3.85Å; V962-F988 HydrophobicContact CG1-CE2 4.43Å; V962-F988 HydrophobicContact CG1-CZ 4.01Å
963	V	88.6	Confident	88.1	Confident	103 Å²	103	48.5 Å²	48.5	62%	0.624	28%	0.283	S	S	*	.	H	α-helix	trans	-62.1	-46.5	178.7	173.8	0	0	0	0	111.1	M959 V960 V966 S967	M959-V963 WeakPolarHBondContact O-CG2 3.28Å; M959-V963 PolarHBondContact O-N 3.5Å; V960-V963 PolarHBondContact O-N 3.39Å; V963-V966 PolarHBondContact O-N 3.02Å; V963-S967 WeakPolarHBondContact O-CB 3.36Å; V963-S967 PolarHBondContact O-N 3.26Å
964	A	86.9	Confident	87.4	Confident	37 Å²	37	57.7 Å²	57.7	31%	0.306	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-45.3	178.7	0	0	0	0	0	112.1	L846 V960 G961 S967 D968	L846-A964 HydrophobicContact CD2-CB 3.69Å; V960-A964 WeakPolarHBondContact O-CB 3.06Å; V960-A964 PolarHBondContact O-N 3.38Å; G961-A964 PolarHBondContact O-N 2.83Å; A964-S967 PolarHBondContact O-N 3.15Å; A964-D968 WeakPolarHBondContact O-CB 3.46Å; A964-D968 PolarHBondContact O-N 3.18Å
965	G	87	Confident	86.4	Confident	4 Å²	4	60.9 Å²	60.9	4%	0.041	35%	0.351	C	S	.	.	H	α-helix	trans	-66	-38.2	179.4	0	0	0	0	0	113.3	G961 V962 A969	G961-G965 PolarHBondContact O-N 3.24Å; V962-G965 PolarHBondContact O-N 3.03Å; G965-A969 PolarHBondContact O-N 3.36Å; G965-A969 VanDerWaalsContact O-N 3.12Å
966	V	87.7	Confident	85.7	Confident	45 Å²	45	61.9 Å²	61.9	27%	0.273	36%	0.358	S	S	.	.	H	α-helix	trans	-68.2	-42.4	173.9	171.7	0	0	0	0	110.8	V962 V963 D968 A969 I970 L984	V962-V966 HydrophobicContact CG1-CG2 4.48Å; V962-V966 WeakPolarHBondContact O-CB 3.23Å; V962-V966 VanDerWaalsContact O-CG2 3.28Å; V962-V966 WeakPolarHBondContact O-CG2 3.15Å; V962-V966 PolarHBondContact O-N 3.46Å; V963-V966 PolarHBondContact O-N 3.02Å; V966-D968 VanDerWaalsContact C-N 3.35Å; V966-D968 PolarHBondContact O-N 3.08Å; V966-A969 PolarHBondContact O-N 3Å; V966-I970 HydrophobicContact CG1-CD1 3.75Å; V966-I970 HydrophobicContact CG1-CG1 4.39Å; V966-I970 VanDerWaalsContact O-CG1 3.27Å; V966-I970 WeakPolarHBondContact O-CG1 3.49Å; V966-I970 PolarHBondContact O-N 3.18Å; V966-L984 HydrophobicContact CG2-CD1 4.26Å; V966-L984 HydrophobicContact CG2-CD2 4.22Å
967	S	86.4	Confident	85.1	Confident	60 Å²	60	64.6 Å²	64.6	42%	0.42	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-43	176.4	-172.8	0	0	0	0	112.1	V963 A964 I970 N971	V963-S967 WeakPolarHBondContact O-CB 3.36Å; V963-S967 PolarHBondContact O-N 3.26Å; A964-S967 PolarHBondContact O-N 3.15Å; S967-I970 PolarHBondContact O-N 3Å; S967-N971 VanDerWaalsContact O-CG 3.28Å; S967-N971 PolarHBondContact O-N 2.94Å; S967-N971 VanDerWaalsContact O-N 3.13Å; S967-N971 PolarHBondContact O-ND2 3.37Å
968	D	83.9	Confident	84.3	Confident	82 Å²	82	65.2 Å²	65.2	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-42.7	177.3	-176.5	64.5	0	0	0	111.8	A964 V966 I970 N971 N972	A964-D968 WeakPolarHBondContact O-CB 3.46Å; A964-D968 PolarHBondContact O-N 3.18Å; V966-D968 VanDerWaalsContact C-N 3.35Å; V966-D968 PolarHBondContact O-N 3.08Å; D968-I970 PolarHBondContact O-N 3Å; D968-N971 PolarHBondContact O-N 3.24Å; D968-N972 VanDerWaalsContact CG-ND2 3.25Å; D968-N972 WeakPolarHBondContact O-CB 2.99Å; D968-N972 PolarHBondContact O-N 3.44Å; D968-N972 PolarHBondContact O-ND2 3.22Å; D968-N972 PolarHBondContact OD1-ND2 2.78Å; D968-N972 PolarHBondContact OD2-ND2 3.17Å
969	A	85.2	Confident	83.5	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	41%	0.409	C	S	.	.	H	α-helix	trans	-70.6	-29.8	178.3	0	0	0	0	0	114.2	G965 V966 N971 G973 S976 W977 L980	G965-A969 PolarHBondContact O-N 3.36Å; G965-A969 VanDerWaalsContact O-N 3.12Å; V966-A969 PolarHBondContact O-N 3Å; A969-N971 VanDerWaalsContact C-N 3.34Å; A969-G973 PolarHBondContact O-N 3.11Å; A969-S976 WeakPolarHBondContact CA-OG 3.43Å; A969-S976 PolarHBondContact O-OG 3.22Å; A969-W977 HydrophobicContact CB-CD2 4.43Å; A969-L980 HydrophobicContact CB-CD2 3.41Å; A969-L980 VanDerWaalsContact CB-CD2 3.41Å
970	I	84.5	Confident	83.1	Confident	111 Å²	111	66.1 Å²	66.1	57%	0.569	39%	0.393	S	S	*	.	H	α-helix	trans	-65.8	-41.5	171.5	-69.9	166.5	0	0	0	109.9	V966 S967 D968 W977	V966-I970 HydrophobicContact CG1-CD1 3.75Å; V966-I970 HydrophobicContact CG1-CG1 4.39Å; V966-I970 VanDerWaalsContact O-CG1 3.27Å; V966-I970 WeakPolarHBondContact O-CG1 3.49Å; V966-I970 PolarHBondContact O-N 3.18Å; S967-I970 PolarHBondContact O-N 3Å; D968-I970 PolarHBondContact O-N 3Å; I970-W977 HydrophobicContact CG1-CZ2 4.19Å
971	N	85.8	Confident	82.8	Confident	123 Å²	123	69.6 Å²	69.6	66%	0.658	40%	0.402	S	S	*	.	H	α-helix	trans	-71.8	-34.7	-179	-70.3	-19.4	0	0	0	113.4	S967 D968 A969	S967-N971 VanDerWaalsContact O-CG 3.28Å; S967-N971 PolarHBondContact O-N 2.94Å; S967-N971 VanDerWaalsContact O-N 3.13Å; S967-N971 PolarHBondContact O-ND2 3.37Å; D968-N971 PolarHBondContact O-N 3.24Å; A969-N971 VanDerWaalsContact C-N 3.34Å
972	N	82.8	Confident	82.2	Confident	106 Å²	106	70.7 Å²	70.7	57%	0.567	41%	0.413	S	S	*	.	H	α-helix	trans	-92.8	-5.7	-175.9	-66.2	-36.3	0	0	0	114.3	D968 S976	D968-N972 VanDerWaalsContact CG-ND2 3.25Å; D968-N972 WeakPolarHBondContact O-CB 2.99Å; D968-N972 PolarHBondContact O-N 3.44Å; D968-N972 PolarHBondContact O-ND2 3.22Å; D968-N972 PolarHBondContact OD1-ND2 2.78Å; D968-N972 PolarHBondContact OD2-ND2 3.17Å; N972-S976 WeakPolarHBondContact CB-OG 3.2Å
973	G	81.1	Confident	82	Confident	31 Å²	31	70.5 Å²	70.5	32%	0.32	41%	0.411	S	S	.	.			trans	84.5	-169.1	174.7	0	0	0	0	0	115.5	A969 G975 S976	A969-G973 PolarHBondContact O-N 3.11Å; G973-G975 VanDerWaalsContact C-N 3.26Å; G973-G975 PolarHBondContact O-N 3.24Å; G973-G975 VanDerWaalsContact O-N 3.14Å; G973-S976 PolarHBondContact O-N 3.14Å; G973-S976 PolarHBondContact O-OG 3.07Å
974	Y	75	Confident	82	Confident	218 Å²	218	66.8 Å²	66.8	86%	0.855	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.7	-29.3	-169.1	-78.5	-80.4	0	0	0	114.7	S976 W977	Y974-S976 VanDerWaalsContact C-N 3.3Å; Y974-S976 PolarHBondContact O-N 2.72Å; Y974-W977 PolarHBondContact O-N 3.24Å
975	G	74.4	Confident	82	Confident	72 Å²	72	69.3 Å²	69.3	74%	0.742	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-64.7	-27.3	-177.6	0	0	0	0	0	114.7	G973	G973-G975 VanDerWaalsContact C-N 3.26Å; G973-G975 PolarHBondContact O-N 3.24Å; G973-G975 VanDerWaalsContact O-N 3.14Å
976	S	76.5	Confident	82.1	Confident	26 Å²	26	72.5 Å²	72.5	18%	0.182	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-80.7	-14.2	-178.9	31.7	0	0	0	0	114.7	A969 N972 G973 Y974 G978 L980	A969-S976 WeakPolarHBondContact CA-OG 3.43Å; A969-S976 PolarHBondContact O-OG 3.22Å; N972-S976 WeakPolarHBondContact CB-OG 3.2Å; G973-S976 PolarHBondContact O-N 3.14Å; G973-S976 PolarHBondContact O-OG 3.07Å; Y974-S976 VanDerWaalsContact C-N 3.3Å; Y974-S976 PolarHBondContact O-N 2.72Å; S976-G978 PolarHBondContact O-N 3.32Å; S976-L980 WeakPolarHBondContact O-CB 3.38Å; S976-L980 PolarHBondContact O-N 3.27Å
977	W	77	Confident	82.3	Confident	113 Å²	113	70.3 Å²	70.3	43%	0.428	39%	0.391	S	S	.	.	H	α-helix	trans	-70.1	-33	-174.3	-75.3	83.6	0	0	0	113.7	A969 I970 Y974 L980 F981	A969-W977 HydrophobicContact CB-CD2 4.43Å; I970-W977 HydrophobicContact CG1-CZ2 4.19Å; Y974-W977 PolarHBondContact O-N 3.24Å; W977-L980 HydrophobicContact CE3-CD2 4.3Å; W977-L980 HydrophobicContact CZ3-CD2 4.46Å; W977-L980 PolarHBondContact O-N 3.1Å; W977-F981 PolarHBondContact O-N 3.06Å; W977-F981 VanDerWaalsContact O-N 3.09Å
978	G	76.4	Confident	82.6	Confident	57 Å²	57	72.2 Å²	72.2	59%	0.588	39%	0.392	S	S	*	.	H	α-helix	trans	-59.9	-59.4	179.6	0	0	0	0	0	112.8	S976 L980 F981	S976-G978 PolarHBondContact O-N 3.32Å; G978-L980 VanDerWaalsContact C-N 3.25Å; G978-L980 PolarHBondContact O-N 2.92Å; G978-F981 PolarHBondContact O-N 3.33Å
979	P	75.1	Confident	83.1	Confident	88 Å²	88	74 Å²	74	57%	0.571	39%	0.393	S	S	*	.	H	α-helix	trans	-61.9	-30.3	175.4	-24.1	34.4	0	0	0	113.8
980	L	82.8	Confident	83.5	Confident	11 Å²	11	74.5 Å²	74.5	6%	0.058	40%	0.396	C	S	.	.	H	α-helix	trans	-65.5	-38.8	178.5	179.2	65.7	0	0	0	112.1	L845 A969 S976 W977 G978 G982 K983 L984	L845-L980 HydrophobicContact CD2-CD1 3.55Å; A969-L980 HydrophobicContact CB-CD2 3.41Å; A969-L980 VanDerWaalsContact CB-CD2 3.41Å; S976-L980 WeakPolarHBondContact O-CB 3.38Å; S976-L980 PolarHBondContact O-N 3.27Å; W977-L980 HydrophobicContact CE3-CD2 4.3Å; W977-L980 HydrophobicContact CZ3-CD2 4.46Å; W977-L980 PolarHBondContact O-N 3.1Å; G978-L980 VanDerWaalsContact C-N 3.25Å; G978-L980 PolarHBondContact O-N 2.92Å; L980-G982 VanDerWaalsContact C-N 3.35Å; L980-G982 PolarHBondContact O-N 2.68Å; L980-K983 WeakPolarHBondContact O-CB 3.5Å; L980-K983 PolarHBondContact O-N 2.98Å; L980-K983 VanDerWaalsContact O-N 3.08Å; L980-L984 HydrophobicContact CD1-CD1 4.21Å; L980-L984 HydrophobicContact CD1-CD2 4.27Å; L980-L984 HydrophobicContact CD1-CG 3.86Å; L980-L984 HydrophobicContact CD2-CD1 3.88Å; L980-L984 HydrophobicContact CD2-CG 4.45Å; L980-L984 HydrophobicContact CG-CD1 3.68Å; L980-L984 HydrophobicContact CG-CG 3.82Å; L980-L984 PolarHBondContact O-N 3.29Å
981	F	81.7	Confident	83.9	Confident	153 Å²	153	70.3 Å²	70.3	67%	0.671	37%	0.374	S	S	*	.	H	α-helix	trans	-54.6	-47.4	-176.1	-179.4	-96.7	0	0	0	112.8	W977 G978 K983 L984 F985	W977-F981 PolarHBondContact O-N 3.06Å; W977-F981 VanDerWaalsContact O-N 3.09Å; G978-F981 PolarHBondContact O-N 3.33Å; F981-K983 VanDerWaalsContact C-N 3.33Å; F981-K983 PolarHBondContact O-N 2.77Å; F981-L984 PolarHBondContact O-N 3.41Å; F981-F985 WeakPolarHBondContact O-CB 3.26Å; F981-F985 PolarHBondContact O-N 2.95Å
982	G	77.7	Confident	84.3	Confident	23 Å²	23	67.5 Å²	67.5	24%	0.237	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-39.1	178.7	0	0	0	0	0	112.8	L980 F985 F986	L980-G982 VanDerWaalsContact C-N 3.35Å; L980-G982 PolarHBondContact O-N 2.68Å; G982-F985 PolarHBondContact O-N 3.2Å; G982-F986 WeakPolarHBondContact O-CD2 3.33Å; G982-F986 PolarHBondContact O-N 3.17Å
983	K	84.6	Confident	84.8	Confident	17 Å²	17	63 Å²	63	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-68.3	-43.5	177.8	-61.2	175.7	-178.4	-174.3	0	112	C844 L845 G848 F850 L980 F981 F986 A987	C844-K983 HydrophobicContact CB-CD 4.36Å; C844-K983 HydrophobicContact CB-CG 4.35Å; C844-K983 PolarHBondContact O-NZ 3.47Å; C844-K983 VanDerWaalsContact O-NZ 3.07Å; L845-K983 HydrophobicContact CD2-CB 3.47Å; L845-K983 VanDerWaalsContact CD2-CB 3.47Å; L845-K983 HydrophobicContact CD2-CD 4.23Å; L845-K983 HydrophobicContact CG-CB 3.89Å; G848-K983 VanDerWaalsContact CA-NZ 3.35Å; G848-K983 PolarHBondContact O-NZ 3.07Å; F850-K983 HydrophobicContact CD2-CD 4.36Å; F850-K983 HydrophobicContact CD2-CG 3.61Å; F850-K983 HydrophobicContact CE2-CG 3.71Å; L980-K983 WeakPolarHBondContact O-CB 3.5Å; L980-K983 PolarHBondContact O-N 2.98Å; L980-K983 VanDerWaalsContact O-N 3.08Å; F981-K983 VanDerWaalsContact C-N 3.33Å; F981-K983 PolarHBondContact O-N 2.77Å; K983-F986 PolarHBondContact O-N 2.94Å; K983-A987 PolarHBondContact O-N 3.41Å; K983-A987 VanDerWaalsContact O-N 3.09Å
984	L	88.6	Confident	85.4	Confident	25 Å²	25	61.6 Å²	61.6	13%	0.131	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-44.2	175.4	-73.5	179.5	0	0	0	111.1	L845 V962 V966 L980 F981 F986 A987 F988	L845-L984 HydrophobicContact CD1-CD2 4.46Å; L845-L984 HydrophobicContact CD2-CD2 4.05Å; L845-L984 HydrophobicContact CD2-CG 4.4Å; V962-L984 HydrophobicContact CB-CD2 4.23Å; V962-L984 HydrophobicContact CG1-CD2 3.93Å; V962-L984 HydrophobicContact CG2-CD2 3.97Å; V966-L984 HydrophobicContact CG2-CD1 4.26Å; V966-L984 HydrophobicContact CG2-CD2 4.22Å; L980-L984 HydrophobicContact CD1-CD1 4.21Å; L980-L984 HydrophobicContact CD1-CD2 4.27Å; L980-L984 HydrophobicContact CD1-CG 3.86Å; L980-L984 HydrophobicContact CD2-CD1 3.88Å; L980-L984 HydrophobicContact CD2-CG 4.45Å; L980-L984 HydrophobicContact CG-CD1 3.68Å; L980-L984 HydrophobicContact CG-CG 3.82Å; L980-L984 PolarHBondContact O-N 3.29Å; F981-L984 PolarHBondContact O-N 3.41Å; L984-F986 VanDerWaalsContact C-N 3.33Å; L984-F986 PolarHBondContact O-N 3.47Å; L984-A987 PolarHBondContact O-N 2.89Å; L984-F988 HydrophobicContact CB-CD2 4.22Å; L984-F988 HydrophobicContact CB-CE2 4.26Å; L984-F988 HydrophobicContact CD2-CE2 4.35Å; L984-F988 WeakPolarHBondContact O-CB 3.21Å; L984-F988 WeakPolarHBondContact O-CD2 3.41Å; L984-F988 PolarHBondContact O-N 2.77Å
985	F	87.9	Confident	86	Confident	89 Å²	89	56.7 Å²	56.7	39%	0.39	30%	0.303	S	S	.	.	H	α-helix	trans	-53.9	-49.6	177.8	176.1	-95.8	0	0	0	111.6	F981 G982 F988 W989	F981-F985 WeakPolarHBondContact O-CB 3.26Å; F981-F985 PolarHBondContact O-N 2.95Å; G982-F985 PolarHBondContact O-N 3.2Å; F985-F988 PolarHBondContact O-N 2.97Å; F985-W989 HydrophobicContact CZ-CE3 4.15Å; F985-W989 WeakPolarHBondContact O-CB 3.18Å; F985-W989 PolarHBondContact O-N 3.11Å
986	F	89.4	Confident	86.4	Confident	71 Å²	71	53.4 Å²	53.4	31%	0.311	27%	0.268	S	S	.	.	H	α-helix	trans	-67.5	-38.4	179	-68	-59.3	0	0	0	113.2	P841 F850 G982 K983 L984 W989 V990	P841-F986 HydrophobicContact CB-CB 3.91Å; P841-F986 HydrophobicContact CG-CB 3.77Å; F850-F986 HydrophobicContact CE2-CD2 4.36Å; F850-F986 HydrophobicContact CZ-CD2 4.24Å; F850-F986 AromaticContact CZ-CE2 3.96Å; F850-F986 HydrophobicContact CZ-CE2 3.96Å; G982-F986 WeakPolarHBondContact O-CD2 3.33Å; G982-F986 PolarHBondContact O-N 3.17Å; K983-F986 PolarHBondContact O-N 2.94Å; L984-F986 VanDerWaalsContact C-N 3.33Å; L984-F986 PolarHBondContact O-N 3.47Å; F986-W989 WeakPolarHBondContact O-CB 3.45Å; F986-W989 PolarHBondContact O-N 3.37Å; F986-V990 WeakPolarHBondContact O-CG2 3.26Å; F986-V990 PolarHBondContact O-N 3.07Å; F986-V990 VanDerWaalsContact O-N 3.13Å
987	A	91.5	Very high	86.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-43.8	176.8	0	0	0	0	0	111.8	P841 L845 V962 K983 L984 W989 V990 I991	P841-A987 HydrophobicContact CB-CB 4.01Å; L845-A987 HydrophobicContact CD1-CB 3.57Å; V962-A987 HydrophobicContact CG2-CB 3.85Å; K983-A987 PolarHBondContact O-N 3.41Å; K983-A987 VanDerWaalsContact O-N 3.09Å; L984-A987 PolarHBondContact O-N 2.89Å; A987-W989 VanDerWaalsContact C-N 3.31Å; A987-W989 PolarHBondContact O-N 3.13Å; A987-V990 PolarHBondContact O-N 2.73Å; A987-I991 WeakPolarHBondContact O-CG1 3.25Å; A987-I991 PolarHBondContact O-N 2.9Å; A987-I991 VanDerWaalsContact O-N 3.1Å
988	F	93.2	Very high	87	Confident	100 Å²	100	48.3 Å²	48.3	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-37.6	173	-79.7	-62.3	0	0	0	112	V962 L984 F985 V990 I991 V992	V962-F988 HydrophobicContact CG1-CE2 4.43Å; V962-F988 HydrophobicContact CG1-CZ 4.01Å; L984-F988 HydrophobicContact CB-CD2 4.22Å; L984-F988 HydrophobicContact CB-CE2 4.26Å; L984-F988 HydrophobicContact CD2-CE2 4.35Å; L984-F988 WeakPolarHBondContact O-CB 3.21Å; L984-F988 WeakPolarHBondContact O-CD2 3.41Å; L984-F988 PolarHBondContact O-N 2.77Å; F985-F988 PolarHBondContact O-N 2.97Å; F988-V990 VanDerWaalsContact C-N 3.32Å; F988-V990 PolarHBondContact O-N 3.37Å; F988-I991 PolarHBondContact O-N 3.42Å; F988-V992 VanDerWaalsContact O-CB 3.31Å; F988-V992 WeakPolarHBondContact O-CB 3.49Å; F988-V992 VanDerWaalsContact O-CG2 3.22Å; F988-V992 WeakPolarHBondContact O-CG2 3.34Å; F988-V992 PolarHBondContact O-N 2.86Å
989	W	93.5	Very high	87	Confident	119 Å²	119	50.1 Å²	50.1	45%	0.451	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-45.4	175.8	-167.8	-100	0	0	0	111.7	F985 F986 A987 V992 H993	F985-W989 HydrophobicContact CZ-CE3 4.15Å; F985-W989 WeakPolarHBondContact O-CB 3.18Å; F985-W989 PolarHBondContact O-N 3.11Å; F986-W989 WeakPolarHBondContact O-CB 3.45Å; F986-W989 PolarHBondContact O-N 3.37Å; A987-W989 VanDerWaalsContact C-N 3.31Å; A987-W989 PolarHBondContact O-N 3.13Å; W989-V992 PolarHBondContact O-N 2.93Å; W989-H993 AromaticContact CD1-CE1 3.64Å; W989-H993 AromaticContact CD1-ND1 3.74Å; W989-H993 AromaticContact CD2-CE1 3.83Å; W989-H993 AromaticContact CE2-CE1 3.24Å; W989-H993 AromaticContact CZ2-CE1 3.57Å; W989-H993 AromaticContact NE1-CE1 3.1Å; W989-H993 PolarHBondContact NE1-CE1 3.3Å; W989-H993 AromaticContact NE1-ND1 3.68Å; W989-H993 AromaticContact NE1-NE2 3.88Å; W989-H993 PolarHBondContact O-N 3.11Å; W989-H993 VanDerWaalsContact O-N 3.09Å; W989-H993 PolarHBondContact O-ND1 3.43Å
990	V	94.7	Very high	86.9	Confident	12 Å²	12	46.2 Å²	46.2	7%	0.073	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-47.5	174.7	176.1	0	0	0	0	111	C838 P841 F986 A987 F988 V992 H993 L994	C838-V990 HydrophobicContact CB-CG1 4Å; C838-V990 HydrophobicContact CB-CG2 4.33Å; P841-V990 HydrophobicContact CG-CG2 4.28Å; F986-V990 WeakPolarHBondContact O-CG2 3.26Å; F986-V990 PolarHBondContact O-N 3.07Å; F986-V990 VanDerWaalsContact O-N 3.13Å; A987-V990 PolarHBondContact O-N 2.73Å; F988-V990 VanDerWaalsContact C-N 3.32Å; F988-V990 PolarHBondContact O-N 3.37Å; V990-V992 VanDerWaalsContact C-N 3.3Å; V990-V992 PolarHBondContact O-N 3.04Å; V990-H993 PolarHBondContact O-N 3.22Å; V990-L994 HydrophobicContact CG1-CD1 4.02Å; V990-L994 WeakPolarHBondContact O-CG 3.36Å; V990-L994 PolarHBondContact O-N 3.05Å
991	I	92.7	Very high	86.3	Confident	23 Å²	23	47.1 Å²	47.1	12%	0.118	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-39.8	179.3	-65.9	167.1	0	0	0	111.2	N958 M959 A987 F988 L994 Y995	N958-I991 HydrophobicContact CB-CD1 4.1Å; N958-I991 HydrophobicContact CB-CG1 4.02Å; M959-I991 HydrophobicContact CG-CD1 4.2Å; A987-I991 WeakPolarHBondContact O-CG1 3.25Å; A987-I991 PolarHBondContact O-N 2.9Å; A987-I991 VanDerWaalsContact O-N 3.1Å; F988-I991 PolarHBondContact O-N 3.42Å; I991-L994 CarbonylContact O-C 3.49Å; I991-L994 PolarHBondContact O-N 3.49Å; I991-Y995 WeakPolarHBondContact O-CA 3.4Å; I991-Y995 PolarHBondContact O-N 3.46Å
992	V	93.4	Very high	85.5	Confident	63 Å²	63	47 Å²	47	38%	0.382	22%	0.223	S	C	.	.	H	α-helix	trans	-66.2	-36.1	178.9	163.2	0	0	0	0	111.8	W889 Q893 F988 W989 V990 Y995	W889-V992 HydrophobicContact CH2-CG1 3.89Å; W889-V992 HydrophobicContact CZ2-CG1 3.51Å; Q893-V992 PolarHBondContact NE2-O 2.78Å; F988-V992 VanDerWaalsContact O-CB 3.31Å; F988-V992 WeakPolarHBondContact O-CB 3.49Å; F988-V992 VanDerWaalsContact O-CG2 3.22Å; F988-V992 WeakPolarHBondContact O-CG2 3.34Å; F988-V992 PolarHBondContact O-N 2.86Å; W989-V992 PolarHBondContact O-N 2.93Å; V990-V992 VanDerWaalsContact C-N 3.3Å; V990-V992 PolarHBondContact O-N 3.04Å; V992-Y995 WeakPolarHBondContact O-CB 3.04Å; V992-Y995 PolarHBondContact O-N 3.33Å
993	H	94.4	Very high	84.5	Confident	13 Å²	13	46.5 Å²	46.5	6%	0.06	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-37.9	173	-75.7	70.4	0	0	0	111.9	W889 Q893 V896 W989 V990 Y995 P996	W889-H993 AromaticContact CH2-CE1 3.41Å; W889-H993 VanDerWaalsContact CH2-CE1 3.41Å; W889-H993 WeakPolarHBondContact CH2-CE1 3.44Å; W889-H993 AromaticContact CH2-ND1 3.99Å; W889-H993 AromaticContact CH2-NE2 3.61Å; W889-H993 AromaticContact CZ3-CE1 3.73Å; W889-H993 AromaticContact CZ3-NE2 3.55Å; Q893-H993 WeakPolarHBondContact CB-O 3.44Å; V896-H993 HydrophobicContact CB-CB 4.08Å; V896-H993 HydrophobicContact CG1-CB 4.19Å; V896-H993 HydrophobicContact CG2-CB 3.88Å; W989-H993 AromaticContact CD1-CE1 3.64Å; W989-H993 AromaticContact CD1-ND1 3.74Å; W989-H993 AromaticContact CD2-CE1 3.83Å; W989-H993 AromaticContact CE2-CE1 3.24Å; W989-H993 AromaticContact CZ2-CE1 3.57Å; W989-H993 AromaticContact NE1-CE1 3.1Å; W989-H993 PolarHBondContact NE1-CE1 3.3Å; W989-H993 AromaticContact NE1-ND1 3.68Å; W989-H993 AromaticContact NE1-NE2 3.88Å; W989-H993 PolarHBondContact O-N 3.11Å; W989-H993 VanDerWaalsContact O-N 3.09Å; W989-H993 PolarHBondContact O-ND1 3.43Å; V990-H993 PolarHBondContact O-N 3.22Å; H993-Y995 VanDerWaalsContact C-N 3.3Å; H993-Y995 PolarHBondContact O-N 2.67Å; H993-P996 WeakPolarHBondContact O-CD 3.42Å
994	L	93	Very high	82.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.9	178.1	-60.9	177.5	0	0	0	113.3	V896 I897 P951 L954 I955 V990 I991 F997 L998	V896-L994 HydrophobicContact CG1-CD2 3.83Å; V896-L994 HydrophobicContact CG1-CG 4.35Å; I897-L994 HydrophobicContact CG1-CD2 3.71Å; P951-L994 HydrophobicContact CB-CD2 4.35Å; L954-L994 HydrophobicContact CB-CD1 3.92Å; L954-L994 HydrophobicContact CD1-CD1 4.45Å; I955-L994 HydrophobicContact CD1-CB 3.91Å; I955-L994 HydrophobicContact CD1-CD1 4.48Å; I955-L994 HydrophobicContact CG1-CB 3.75Å; I955-L994 HydrophobicContact CG1-CD1 3.78Å; I955-L994 HydrophobicContact CG1-CG 4.42Å; V990-L994 HydrophobicContact CG1-CD1 4.02Å; V990-L994 WeakPolarHBondContact O-CG 3.36Å; V990-L994 PolarHBondContact O-N 3.05Å; I991-L994 CarbonylContact O-C 3.49Å; I991-L994 PolarHBondContact O-N 3.49Å; L994-F997 VanDerWaalsContact O-CB 3.3Å; L994-F997 WeakPolarHBondContact O-CB 3.44Å; L994-F997 PolarHBondContact O-N 2.63Å; L994-F997 VanDerWaalsContact O-N 3.12Å; L994-L998 PolarHBondContact O-N 3.5Å
995	Y	87.6	Confident	80.7	Confident	115 Å²	115	62.2 Å²	62.2	45%	0.451	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-42.1	-177.4	173.8	-103.3	0	0	0	114.1	I991 V992 H993 F997 L998 K999	I991-Y995 WeakPolarHBondContact O-CA 3.4Å; I991-Y995 PolarHBondContact O-N 3.46Å; V992-Y995 WeakPolarHBondContact O-CB 3.04Å; V992-Y995 PolarHBondContact O-N 3.33Å; H993-Y995 VanDerWaalsContact C-N 3.3Å; H993-Y995 PolarHBondContact O-N 2.67Å; Y995-F997 PolarHBondContact O-N 2.74Å; Y995-L998 PolarHBondContact O-N 3.04Å; Y995-K999 HydrophobicContact CE1-CD 4.19Å; Y995-K999 WeakPolarHBondContact O-CB 3.32Å; Y995-K999 PolarHBondContact O-N 3.39Å
996	P	83.2	Confident	78.6	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-36.5	177	-23.2	35	0	0	0	112.2	Q893 I897 H993 G1000	Q893-P996 HydrophobicContact CB-CG 4.02Å; Q893-P996 HydrophobicContact CG-CG 4.22Å; I897-P996 HydrophobicContact CD1-CB 4.4Å; H993-P996 WeakPolarHBondContact O-CD 3.42Å; P996-G1000 PolarHBondContact O-N 3.08Å
997	F	84.6	Confident	76.6	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-47.3	175.2	-177.9	-86	0	0	0	111.3	L780 I897 F942 L948 P951 T952 I955 L994 Y995 K999 G1000 L1001	L780-F997 HydrophobicContact CD2-CD2 3.65Å; L780-F997 HydrophobicContact CD2-CE2 3.99Å; I897-F997 HydrophobicContact CD1-CB 3.84Å; I897-F997 HydrophobicContact CG1-CB 4.1Å; I897-F997 HydrophobicContact CG2-CD2 3.94Å; F942-F997 HydrophobicContact CE1-CE2 4.35Å; L948-F997 HydrophobicContact CB-CE2 4.41Å; L948-F997 HydrophobicContact CB-CZ 4.03Å; L948-F997 HydrophobicContact CD2-CE2 3.58Å; L948-F997 HydrophobicContact CD2-CZ 4.03Å; P951-F997 HydrophobicContact CB-CD1 4.06Å; P951-F997 HydrophobicContact CB-CD2 4.14Å; P951-F997 HydrophobicContact CB-CE1 3.81Å; P951-F997 HydrophobicContact CB-CE2 3.92Å; P951-F997 HydrophobicContact CB-CG 4.22Å; P951-F997 HydrophobicContact CB-CZ 3.77Å; P951-F997 HydrophobicContact CG-CE2 4.07Å; P951-F997 HydrophobicContact CG-CZ 4.19Å; T952-F997 VanDerWaalsContact OG1-CE1 3.28Å; T952-F997 WeakPolarHBondContact OG1-CE1 3.31Å; T952-F997 WeakPolarHBondContact OG1-CZ 3.32Å; I955-F997 HydrophobicContact CD1-CD1 3.58Å; I955-F997 HydrophobicContact CD1-CE1 4.16Å; L994-F997 VanDerWaalsContact O-CB 3.3Å; L994-F997 WeakPolarHBondContact O-CB 3.44Å; L994-F997 PolarHBondContact O-N 2.63Å; L994-F997 VanDerWaalsContact O-N 3.12Å; Y995-F997 PolarHBondContact O-N 2.74Å; F997-K999 PolarHBondContact O-N 3.35Å; F997-G1000 WeakPolarHBondContact O-CA 3.38Å; F997-G1000 PolarHBondContact O-N 3.23Å; F997-G1000 VanDerWaalsContact O-N 3.09Å; F997-L1001 HydrophobicContact CD1-CD1 3.86Å; F997-L1001 HydrophobicContact CD1-CG 4.28Å; F997-L1001 HydrophobicContact CE1-CD1 3.42Å; F997-L1001 VanDerWaalsContact CE1-CD1 3.42Å; F997-L1001 HydrophobicContact CE1-CG 3.96Å; F997-L1001 HydrophobicContact CZ-CD1 4.28Å; F997-L1001 PolarHBondContact O-N 2.82Å
998	L	81.7	Confident	74.7	Confident	33 Å²	33	76 Å²	76	17%	0.173	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-46.1	175.4	178.7	59.6	0	0	0	111.8	I955 M959 L994 Y995 G1000 L1001 M1002	I955-L998 HydrophobicContact CD1-CB 4.11Å; I955-L998 HydrophobicContact CG2-CD1 4.29Å; M959-L998 HydrophobicContact CE-CD1 4.2Å; M959-L998 HydrophobicContact CE-CD2 4.1Å; L994-L998 PolarHBondContact O-N 3.5Å; Y995-L998 PolarHBondContact O-N 3.04Å; L998-G1000 PolarHBondContact O-N 2.79Å; L998-L1001 WeakPolarHBondContact O-CB 3.34Å; L998-L1001 PolarHBondContact O-N 2.86Å; L998-M1002 HydrophobicContact CD1-CG 4.47Å; L998-M1002 HydrophobicContact CD1-SD 4.28Å; L998-M1002 HydrophobicContact CG-SD 4.18Å; L998-M1002 WeakPolarHBondContact O-CG 3.33Å; L998-M1002 PolarHBondContact O-N 3.25Å
999	K	76.4	Confident	72.9	Confident	94 Å²	94	73.8 Å²	73.8	41%	0.409	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-33.2	175.7	-173.3	175	170.9	178	0	111.8	R545 Y995 F997 G1003	R545-K999 VanDerWaalsContact NH2-CG 3.28Å; Y995-K999 HydrophobicContact CE1-CD 4.19Å; Y995-K999 WeakPolarHBondContact O-CB 3.32Å; Y995-K999 PolarHBondContact O-N 3.39Å; F997-K999 PolarHBondContact O-N 3.35Å; K999-G1003 PolarHBondContact O-N 2.74Å
1000	G	72.4	Confident	71.3	Confident	6 Å²	6	73.2 Å²	73.2	6%	0.062	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-47.2	172.3	0	0	0	0	0	112.3	F942 P996 F997 L998 M1002 G1003	F942-G1000 WeakPolarHBondContact CD2-O 3.4Å; F942-G1000 VanDerWaalsContact CE2-CA 3.46Å; F942-G1000 VanDerWaalsContact CE2-O 3.31Å; F942-G1000 WeakPolarHBondContact CE2-O 3.44Å; P996-G1000 PolarHBondContact O-N 3.08Å; F997-G1000 WeakPolarHBondContact O-CA 3.38Å; F997-G1000 PolarHBondContact O-N 3.23Å; F997-G1000 VanDerWaalsContact O-N 3.09Å; L998-G1000 PolarHBondContact O-N 2.79Å; G1000-M1002 VanDerWaalsContact C-N 3.29Å; G1000-M1002 PolarHBondContact O-N 2.78Å; G1000-G1003 PolarHBondContact O-N 2.81Å; G1000-G1003 VanDerWaalsContact O-N 3.13Å
1001	L	70.4	Confident	69.8	Low	31 Å²	31	77.1 Å²	77.1	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-62.2	-33.6	175.6	-72.7	175.1	0	0	0	113.1	F942 T952 F997 L998 G1003	F942-L1001 HydrophobicContact CD1-CD2 3.92Å; F942-L1001 HydrophobicContact CE1-CD2 3.62Å; F942-L1001 HydrophobicContact CE1-CG 4.15Å; F942-L1001 HydrophobicContact CZ-CD2 4.13Å; F942-L1001 HydrophobicContact CZ-CG 4.2Å; T952-L1001 HydrophobicContact CG2-CD1 4.29Å; F997-L1001 HydrophobicContact CD1-CD1 3.86Å; F997-L1001 HydrophobicContact CD1-CG 4.28Å; F997-L1001 HydrophobicContact CE1-CD1 3.42Å; F997-L1001 VanDerWaalsContact CE1-CD1 3.42Å; F997-L1001 HydrophobicContact CE1-CG 3.96Å; F997-L1001 HydrophobicContact CZ-CD1 4.28Å; F997-L1001 PolarHBondContact O-N 2.82Å; L998-L1001 WeakPolarHBondContact O-CB 3.34Å; L998-L1001 PolarHBondContact O-N 2.86Å; L1001-G1003 VanDerWaalsContact C-N 3.27Å; L1001-G1003 PolarHBondContact O-N 3.22Å
1002	M	65.2	Low	68	Low	151 Å²	151	77 Å²	77	74%	0.744	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	2.1	177	-64.9	176.1	119.9	0	0	113.8	L998 G1000	L998-M1002 HydrophobicContact CD1-CG 4.47Å; L998-M1002 HydrophobicContact CD1-SD 4.28Å; L998-M1002 HydrophobicContact CG-SD 4.18Å; L998-M1002 WeakPolarHBondContact O-CG 3.33Å; L998-M1002 PolarHBondContact O-N 3.25Å; G1000-M1002 VanDerWaalsContact C-N 3.29Å; G1000-M1002 PolarHBondContact O-N 2.78Å
1003	G	55.8	Low	66.8	Low	12 Å²	12	77.2 Å²	77.2	12%	0.124	37%	0.374	C	S	.	.	S	Bend	trans	-59.1	168.3	178.3	0	0	0	0	0	113.8	K999 G1000 L1001 Q1005	K999-G1003 PolarHBondContact O-N 2.74Å; G1000-G1003 PolarHBondContact O-N 2.81Å; G1000-G1003 VanDerWaalsContact O-N 3.13Å; L1001-G1003 VanDerWaalsContact C-N 3.27Å; L1001-G1003 PolarHBondContact O-N 3.22Å; G1003-Q1005 PolarHBondContact O-N 2.96Å
1004	R	48	Very low	65.8	Low	244 Å²	244	81.3 Å²	81.3	92%	0.921	40%	0.396	S	S	*	.	S	Bend	trans	-66.3	22.5	-159.9	-152.3	176.4	154.7	149.5	-4.3	117.4
1005	Q	46	Very low	64.9	Low	127 Å²	127	88.3 Å²	88.3	59%	0.593	42%	0.422	S	S	*	.			trans	-125.1	111.7	161.8	-87.6	167	-16.1	0	0	108.4	G1003 R1007	G1003-Q1005 PolarHBondContact O-N 2.96Å; Q1005-R1007 PolarHBondContact O-N 3.4Å
1006	N	43	Very low	64.1	Low	175 Å²	175	83 Å²	83	94%	0.936	40%	0.402	S	S	*	.			trans	-60.7	40.6	168.5	-89.8	-17.2	0	0	0	113.2
1007	R	47.8	Very low	63.9	Low	215 Å²	215	87.7 Å²	87.7	81%	0.811	43%	0.426	S	S	*	.			trans	-124.7	56.1	170	-61.8	-160.2	-170.1	-173.9	5.8	108.8	Q1005 P1009	Q1005-R1007 PolarHBondContact O-N 3.4Å; R1007-P1009 WeakPolarHBondContact O-CD 3.34Å
1008	T	52.6	Low	63.6	Low	60 Å²	60	91.3 Å²	91.3	37%	0.368	45%	0.445	S	S	.	.			trans	-51.4	108.6	139.1	-36.8	0	0	0	0	103.4	T1010 V1012 V1013	T1008-T1010 PolarHBondContact O-N 2.81Å; T1008-T1010 VanDerWaalsContact O-N 3.09Å; T1008-V1012 HydrophobicContact CG2-CB 4.31Å; T1008-V1012 HydrophobicContact CG2-CG1 4.33Å; T1008-V1013 HydrophobicContact CG2-CG2 3.98Å
1009	P	54.4	Low	63.5	Low	53 Å²	53	91.9 Å²	91.9	34%	0.344	45%	0.448	S	S	.	.			trans	-55.8	131.1	-174.1	-22.2	33.3	0	0	0	105.6	R1007 I1011 V1012 V1013	R1007-P1009 WeakPolarHBondContact O-CD 3.34Å; P1009-I1011 HydrophobicContact CB-CB 4.19Å; P1009-I1011 CarbonylContact O-C 3.22Å; P1009-I1011 PolarHBondContact O-N 3.34Å; P1009-V1012 HydrophobicContact CB-CG2 4.33Å; P1009-V1012 HydrophobicContact CG-CG2 4.11Å; P1009-V1012 PolarHBondContact O-N 3.23Å; P1009-V1013 PolarHBondContact O-N 3.45Å
1010	T	60.6	Low	63.4	Low	108 Å²	108	89 Å²	89	66%	0.663	44%	0.442	S	S	*	.	H	α-helix	trans	-49.2	-30.7	177.7	-37.1	0	0	0	0	110	T1008 V1012 V1013 L1014	T1008-T1010 PolarHBondContact O-N 2.81Å; T1008-T1010 VanDerWaalsContact O-N 3.09Å; T1010-V1012 PolarHBondContact O-N 3.13Å; T1010-V1013 PolarHBondContact O-N 3.03Å; T1010-L1014 HydrophobicContact CG2-CD1 4.07Å; T1010-L1014 HydrophobicContact CG2-CG 4.34Å; T1010-L1014 WeakPolarHBondContact O-CB 3.47Å; T1010-L1014 WeakPolarHBondContact O-CD1 3.46Å; T1010-L1014 WeakPolarHBondContact O-CG 3.23Å; T1010-L1014 PolarHBondContact O-N 3.38Å
1011	I	62.2	Low	63.5	Low	94 Å²	94	91.1 Å²	91.1	48%	0.482	46%	0.456	S	S	.	.	H	α-helix	trans	-51.3	-44.8	168.2	-70.1	167.4	0	0	0	114.2	P1009 L1014 W1015	P1009-I1011 HydrophobicContact CB-CB 4.19Å; P1009-I1011 CarbonylContact O-C 3.22Å; P1009-I1011 PolarHBondContact O-N 3.34Å; I1011-L1014 PolarHBondContact O-N 3.5Å; I1011-W1015 VanDerWaalsContact CG2-CD1 3.48Å; I1011-W1015 WeakPolarHBondContact O-CB 3.35Å; I1011-W1015 PolarHBondContact O-N 3.42Å
1012	V	56.7	Low	63.8	Low	21 Å²	21	93.4 Å²	93.4	13%	0.127	47%	0.467	C	S	.	.	H	α-helix	trans	-67.2	-46.5	177.8	173.3	0	0	0	0	110.5	T952 T1008 P1009 T1010 L1014 W1015 S1016	T952-V1012 HydrophobicContact CG2-CG1 4.08Å; T1008-V1012 HydrophobicContact CG2-CB 4.31Å; T1008-V1012 HydrophobicContact CG2-CG1 4.33Å; P1009-V1012 HydrophobicContact CB-CG2 4.33Å; P1009-V1012 HydrophobicContact CG-CG2 4.11Å; P1009-V1012 PolarHBondContact O-N 3.23Å; T1010-V1012 PolarHBondContact O-N 3.13Å; V1012-L1014 VanDerWaalsContact C-N 3.28Å; V1012-L1014 PolarHBondContact O-N 3.09Å; V1012-W1015 PolarHBondContact O-N 3.05Å; V1012-S1016 WeakPolarHBondContact O-CB 3.1Å; V1012-S1016 PolarHBondContact O-N 3.29Å; V1012-S1016 PolarHBondContact O-OG 3Å
1013	V	67.9	Low	64.2	Low	66 Å²	66	91.8 Å²	91.8	40%	0.4	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-40.7	175.5	177.6	0	0	0	0	109.9	T1008 P1009 T1010 I1017	T1008-V1013 HydrophobicContact CG2-CG2 3.98Å; P1009-V1013 PolarHBondContact O-N 3.45Å; T1010-V1013 PolarHBondContact O-N 3.03Å; V1013-I1017 HydrophobicContact CG1-CD1 3.52Å; V1013-I1017 HydrophobicContact CG1-CG1 4.22Å; V1013-I1017 WeakPolarHBondContact O-CB 3.5Å; V1013-I1017 WeakPolarHBondContact O-CD1 3.5Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.38Å; V1013-I1017 PolarHBondContact O-N 3.38Å
1014	L	72.8	Confident	64.9	Low	100 Å²	100	94.5 Å²	94.5	52%	0.524	47%	0.473	S	S	.	.	H	α-helix	trans	-66.2	-47.3	176.8	-76.2	166.7	0	0	0	112.6	T1010 I1011 V1012 I1017 L1018	T1010-L1014 HydrophobicContact CG2-CD1 4.07Å; T1010-L1014 HydrophobicContact CG2-CG 4.34Å; T1010-L1014 WeakPolarHBondContact O-CB 3.47Å; T1010-L1014 WeakPolarHBondContact O-CD1 3.46Å; T1010-L1014 WeakPolarHBondContact O-CG 3.23Å; T1010-L1014 PolarHBondContact O-N 3.38Å; I1011-L1014 PolarHBondContact O-N 3.5Å; V1012-L1014 VanDerWaalsContact C-N 3.28Å; V1012-L1014 PolarHBondContact O-N 3.09Å; L1014-I1017 PolarHBondContact O-N 2.79Å; L1014-L1018 WeakPolarHBondContact O-CA 3.29Å; L1014-L1018 WeakPolarHBondContact O-CB 3.43Å; L1014-L1018 PolarHBondContact O-N 3.42Å
1015	W	72.9	Confident	66.1	Low	146 Å²	146	88.4 Å²	88.4	55%	0.553	46%	0.458	S	S	*	.	H	α-helix	trans	-67.8	-36.7	176.9	-84.9	106.5	0	0	0	111.5	I1011 V1012 L1018 L1019	I1011-W1015 VanDerWaalsContact CG2-CD1 3.48Å; I1011-W1015 WeakPolarHBondContact O-CB 3.35Å; I1011-W1015 PolarHBondContact O-N 3.42Å; V1012-W1015 PolarHBondContact O-N 3.05Å; W1015-L1018 HydrophobicContact CE3-CD2 3.79Å; W1015-L1018 HydrophobicContact CZ3-CD2 3.82Å; W1015-L1018 PolarHBondContact O-N 3.48Å; W1015-L1019 WeakPolarHBondContact O-CB 3.2Å; W1015-L1019 WeakPolarHBondContact O-CG 3.26Å; W1015-L1019 PolarHBondContact O-N 3.31Å
1016	S	70.8	Confident	67.3	Low	4 Å²	4	85.4 Å²	85.4	3%	0.028	45%	0.449	C	S	.	.	H	α-helix	trans	-68.6	-40.5	173.7	-68.8	0	0	0	0	111.7	V1012 A1020	V1012-S1016 WeakPolarHBondContact O-CB 3.1Å; V1012-S1016 PolarHBondContact O-N 3.29Å; V1012-S1016 PolarHBondContact O-OG 3Å; S1016-A1020 WeakPolarHBondContact O-CA 3.46Å; S1016-A1020 WeakPolarHBondContact O-CB 3.37Å; S1016-A1020 PolarHBondContact O-N 3.08Å
1017	I	79.7	Confident	68.3	Low	102 Å²	102	81.3 Å²	81.3	52%	0.523	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-41.4	173.3	-72.7	169.1	0	0	0	110.3	V1013 L1014 A1020 S1021	V1013-I1017 HydrophobicContact CG1-CD1 3.52Å; V1013-I1017 HydrophobicContact CG1-CG1 4.22Å; V1013-I1017 WeakPolarHBondContact O-CB 3.5Å; V1013-I1017 WeakPolarHBondContact O-CD1 3.5Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.38Å; V1013-I1017 PolarHBondContact O-N 3.38Å; L1014-I1017 PolarHBondContact O-N 2.79Å; I1017-A1020 CarbonylContact O-C 3.51Å; I1017-A1020 PolarHBondContact O-N 2.85Å; I1017-S1021 VanDerWaalsContact O-CB 3.23Å; I1017-S1021 WeakPolarHBondContact O-CB 3.4Å; I1017-S1021 PolarHBondContact O-N 2.94Å
1018	L	79.7	Confident	69.1	Low	75 Å²	75	76 Å²	76	39%	0.393	41%	0.411	S	S	.	.	H	α-helix	trans	-70.1	-43	179.8	179.7	136.9	0	0	0	111.3	L1014 W1015 S1021 I1022	L1014-L1018 WeakPolarHBondContact O-CA 3.29Å; L1014-L1018 WeakPolarHBondContact O-CB 3.43Å; L1014-L1018 PolarHBondContact O-N 3.42Å; W1015-L1018 HydrophobicContact CE3-CD2 3.79Å; W1015-L1018 HydrophobicContact CZ3-CD2 3.82Å; W1015-L1018 PolarHBondContact O-N 3.48Å; L1018-S1021 PolarHBondContact O-N 3.45Å; L1018-S1021 PolarHBondContact O-OG 2.85Å; L1018-I1022 HydrophobicContact CD2-CD1 3.47Å; L1018-I1022 VanDerWaalsContact CD2-CD1 3.47Å; L1018-I1022 HydrophobicContact CD2-CG1 4.49Å; L1018-I1022 HydrophobicContact CG-CD1 3.96Å; L1018-I1022 VanDerWaalsContact O-CB 3.3Å; L1018-I1022 WeakPolarHBondContact O-CB 3.44Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.42Å; L1018-I1022 PolarHBondContact O-N 3.43Å
1019	L	77.8	Confident	69.7	Low	46 Å²	46	83.9 Å²	83.9	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-63.6	-46.7	170.9	-83.4	160.2	0	0	0	110.1	I949 W1015 S1021 I1022 F1023	I949-L1019 HydrophobicContact CG2-CD1 3.95Å; W1015-L1019 WeakPolarHBondContact O-CB 3.2Å; W1015-L1019 WeakPolarHBondContact O-CG 3.26Å; W1015-L1019 PolarHBondContact O-N 3.31Å; L1019-S1021 VanDerWaalsContact C-N 3.27Å; L1019-S1021 PolarHBondContact O-N 2.98Å; L1019-I1022 PolarHBondContact O-N 3.29Å; L1019-F1023 HydrophobicContact CB-CD2 4.33Å; L1019-F1023 HydrophobicContact CB-CE2 4.37Å; L1019-F1023 HydrophobicContact CD2-CD2 4.46Å; L1019-F1023 HydrophobicContact CD2-CE2 3.85Å; L1019-F1023 VanDerWaalsContact O-CB 3.31Å; L1019-F1023 WeakPolarHBondContact O-CB 3.15Å; L1019-F1023 WeakPolarHBondContact O-CD2 3.3Å; L1019-F1023 WeakPolarHBondContact O-CG 3.23Å; L1019-F1023 PolarHBondContact O-N 2.89Å
1020	A	74.2	Confident	70	Confident	34 Å²	34	86.7 Å²	86.7	28%	0.281	45%	0.445	S	S	.	.	H	α-helix	trans	-60.1	-38.2	176.1	0	0	0	0	0	111.6	S1016 I1017 S1024	S1016-A1020 WeakPolarHBondContact O-CA 3.46Å; S1016-A1020 WeakPolarHBondContact O-CB 3.37Å; S1016-A1020 PolarHBondContact O-N 3.08Å; I1017-A1020 CarbonylContact O-C 3.51Å; I1017-A1020 PolarHBondContact O-N 2.85Å; A1020-S1024 WeakPolarHBondContact O-CB 3.15Å; A1020-S1024 PolarHBondContact O-N 2.5Å; A1020-S1024 PolarHBondContact O-OG 2.81Å
1021	S	75.4	Confident	70	Confident	50 Å²	50	85.5 Å²	85.5	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-74.5	-40.8	178.3	89.4	0	0	0	0	111.6	I1017 L1018 L1019 S1024 L1025	I1017-S1021 VanDerWaalsContact O-CB 3.23Å; I1017-S1021 WeakPolarHBondContact O-CB 3.4Å; I1017-S1021 PolarHBondContact O-N 2.94Å; L1018-S1021 PolarHBondContact O-N 3.45Å; L1018-S1021 PolarHBondContact O-OG 2.85Å; L1019-S1021 VanDerWaalsContact C-N 3.27Å; L1019-S1021 PolarHBondContact O-N 2.98Å; S1021-S1024 CarbonylContact O-C 3.55Å; S1021-S1024 PolarHBondContact O-N 3.02Å; S1021-L1025 VanDerWaalsContact O-CB 3.28Å; S1021-L1025 WeakPolarHBondContact O-CB 3.45Å; S1021-L1025 VanDerWaalsContact O-CG 3.23Å; S1021-L1025 WeakPolarHBondContact O-CG 3.5Å; S1021-L1025 PolarHBondContact O-N 3.1Å
1022	I	77.5	Confident	69.9	Low	78 Å²	78	84.3 Å²	84.3	40%	0.4	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-48.4	173.1	-72.2	167.9	0	0	0	109.1	L1018 L1019 S1024 L1025 V1026	L1018-I1022 HydrophobicContact CD2-CD1 3.47Å; L1018-I1022 VanDerWaalsContact CD2-CD1 3.47Å; L1018-I1022 HydrophobicContact CD2-CG1 4.49Å; L1018-I1022 HydrophobicContact CG-CD1 3.96Å; L1018-I1022 VanDerWaalsContact O-CB 3.3Å; L1018-I1022 WeakPolarHBondContact O-CB 3.44Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.42Å; L1018-I1022 PolarHBondContact O-N 3.43Å; L1019-I1022 PolarHBondContact O-N 3.29Å; I1022-S1024 VanDerWaalsContact C-N 3.32Å; I1022-S1024 PolarHBondContact O-N 2.97Å; I1022-L1025 PolarHBondContact O-N 2.94Å; I1022-V1026 HydrophobicContact CG2-CG2 4.12Å; I1022-V1026 VanDerWaalsContact O-CB 3.23Å; I1022-V1026 WeakPolarHBondContact O-CB 3.39Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.37Å; I1022-V1026 PolarHBondContact O-N 3.35Å
1023	F	73.2	Confident	69.7	Low	117 Å²	117	85 Å²	85	51%	0.513	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-39.9	175.9	-78.3	-59.3	0	0	0	111.5	L1019 W1027	L1019-F1023 HydrophobicContact CB-CD2 4.33Å; L1019-F1023 HydrophobicContact CB-CE2 4.37Å; L1019-F1023 HydrophobicContact CD2-CD2 4.46Å; L1019-F1023 HydrophobicContact CD2-CE2 3.85Å; L1019-F1023 VanDerWaalsContact O-CB 3.31Å; L1019-F1023 WeakPolarHBondContact O-CB 3.15Å; L1019-F1023 WeakPolarHBondContact O-CD2 3.3Å; L1019-F1023 WeakPolarHBondContact O-CG 3.23Å; L1019-F1023 PolarHBondContact O-N 2.89Å; F1023-W1027 WeakPolarHBondContact O-CA 3.26Å; F1023-W1027 WeakPolarHBondContact O-CB 3.43Å; F1023-W1027 PolarHBondContact O-N 3.45Å
1024	S	70.5	Confident	69	Low	69 Å²	69	87.2 Å²	87.2	48%	0.483	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-40.1	175.3	-59.6	0	0	0	0	112.1	A1020 S1021 I1022 W1027 V1028	A1020-S1024 WeakPolarHBondContact O-CB 3.15Å; A1020-S1024 PolarHBondContact O-N 2.5Å; A1020-S1024 PolarHBondContact O-OG 2.81Å; S1021-S1024 CarbonylContact O-C 3.55Å; S1021-S1024 PolarHBondContact O-N 3.02Å; I1022-S1024 VanDerWaalsContact C-N 3.32Å; I1022-S1024 PolarHBondContact O-N 2.97Å; S1024-W1027 WeakPolarHBondContact O-CB 3.43Å; S1024-W1027 PolarHBondContact O-N 3.47Å; S1024-V1028 WeakPolarHBondContact O-CB 3.4Å; S1024-V1028 VanDerWaalsContact O-CG2 3.23Å; S1024-V1028 WeakPolarHBondContact O-CG2 3.22Å; S1024-V1028 PolarHBondContact O-N 2.99Å
1025	L	72.3	Confident	67.9	Low	116 Å²	116	87.5 Å²	87.5	61%	0.607	45%	0.451	S	S	*	.	H	α-helix	trans	-69.6	-43.8	177.2	-76.9	168.6	0	0	0	111.6	S1021 I1022 W1027 V1028 R1029	S1021-L1025 VanDerWaalsContact O-CB 3.28Å; S1021-L1025 WeakPolarHBondContact O-CB 3.45Å; S1021-L1025 VanDerWaalsContact O-CG 3.23Å; S1021-L1025 WeakPolarHBondContact O-CG 3.5Å; S1021-L1025 PolarHBondContact O-N 3.1Å; I1022-L1025 PolarHBondContact O-N 2.94Å; L1025-W1027 VanDerWaalsContact C-N 3.29Å; L1025-V1028 PolarHBondContact O-N 2.99Å; L1025-R1029 WeakPolarHBondContact O-CB 3.25Å; L1025-R1029 PolarHBondContact O-N 3.28Å
1026	V	70.6	Confident	67.1	Low	65 Å²	65	89.9 Å²	89.9	39%	0.394	47%	0.465	S	S	.	.	H	α-helix	trans	-62.6	-40.6	172.9	170.3	0	0	0	0	109.6	I1022 R1029 I1030	I1022-V1026 HydrophobicContact CG2-CG2 4.12Å; I1022-V1026 VanDerWaalsContact O-CB 3.23Å; I1022-V1026 WeakPolarHBondContact O-CB 3.39Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.37Å; I1022-V1026 PolarHBondContact O-N 3.35Å; V1026-R1029 PolarHBondContact O-N 3.21Å; V1026-I1030 HydrophobicContact CG1-CD1 3.34Å; V1026-I1030 HydrophobicContact CG1-CG1 3.93Å; V1026-I1030 VanDerWaalsContact O-CB 3.28Å; V1026-I1030 WeakPolarHBondContact O-CB 3.36Å; V1026-I1030 WeakPolarHBondContact O-CG1 2.88Å; V1026-I1030 PolarHBondContact O-N 2.79Å
1027	W	64.7	Low	66.2	Low	88 Å²	88	98.5 Å²	98.5	33%	0.333	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-50.6	175.4	-178.2	-85.3	0	0	0	111.8	V843 T847 F1023 S1024 L1025 R1029 D1031 F1033	V843-W1027 HydrophobicContact CG1-CH2 3.56Å; V843-W1027 HydrophobicContact CG1-CZ3 3.94Å; V843-W1027 HydrophobicContact CG2-CZ3 4.49Å; T847-W1027 HydrophobicContact CG2-CH2 3.59Å; T847-W1027 HydrophobicContact CG2-CZ2 3.13Å; F1023-W1027 WeakPolarHBondContact O-CA 3.26Å; F1023-W1027 WeakPolarHBondContact O-CB 3.43Å; F1023-W1027 PolarHBondContact O-N 3.45Å; S1024-W1027 WeakPolarHBondContact O-CB 3.43Å; S1024-W1027 PolarHBondContact O-N 3.47Å; L1025-W1027 VanDerWaalsContact C-N 3.29Å; W1027-R1029 VanDerWaalsContact C-N 3.3Å; W1027-R1029 PolarHBondContact O-N 2.71Å; W1027-D1031 PolarHBondContact O-N 3.2Å; W1027-D1031 VanDerWaalsContact O-N 3.09Å; W1027-F1033 AromaticContact CH2-CD2 3.53Å; W1027-F1033 HydrophobicContact CH2-CD2 3.53Å; W1027-F1033 AromaticContact CH2-CE2 3.43Å; W1027-F1033 HydrophobicContact CH2-CE2 3.43Å; W1027-F1033 VanDerWaalsContact CH2-CE2 3.43Å; W1027-F1033 AromaticContact CZ2-CD2 3.76Å; W1027-F1033 HydrophobicContact CZ2-CD2 3.76Å; W1027-F1033 HydrophobicContact CZ2-CE2 4.15Å; W1027-F1033 HydrophobicContact CZ3-CD2 4.46Å; W1027-F1033 HydrophobicContact CZ3-CE2 4.05Å
1028	V	65.4	Low	64.7	Low	103 Å²	103	100 Å²	100	62%	0.624	52%	0.52	S	S	*	.	H	α-helix	trans	-62.3	-37.3	175.6	170	0	0	0	0	111.4	S1024 L1025	S1024-V1028 WeakPolarHBondContact O-CB 3.4Å; S1024-V1028 VanDerWaalsContact O-CG2 3.23Å; S1024-V1028 WeakPolarHBondContact O-CG2 3.22Å; S1024-V1028 PolarHBondContact O-N 2.99Å; L1025-V1028 PolarHBondContact O-N 2.99Å
1029	R	63.4	Low	63.7	Low	227 Å²	227	98.7 Å²	98.7	86%	0.857	52%	0.524	S	S	*	.	H	α-helix	trans	-82	-35.7	-175.5	-167.5	172.2	-175.8	102.2	-1.2	114	L1025 V1026 W1027 D1031	L1025-R1029 WeakPolarHBondContact O-CB 3.25Å; L1025-R1029 PolarHBondContact O-N 3.28Å; V1026-R1029 PolarHBondContact O-N 3.21Å; W1027-R1029 VanDerWaalsContact C-N 3.3Å; W1027-R1029 PolarHBondContact O-N 2.71Å; R1029-D1031 VanDerWaalsContact C-N 3.29Å
1030	I	62.3	Low	62.9	Low	111 Å²	111	101.8 Å²	101.8	57%	0.569	55%	0.547	S	S	*	.	H	α-helix	trans	-72.6	-32.1	175.5	-66	179.2	0	0	0	109.4	V1026 P1032	V1026-I1030 HydrophobicContact CG1-CD1 3.34Å; V1026-I1030 HydrophobicContact CG1-CG1 3.93Å; V1026-I1030 VanDerWaalsContact O-CB 3.28Å; V1026-I1030 WeakPolarHBondContact O-CB 3.36Å; V1026-I1030 WeakPolarHBondContact O-CG1 2.88Å; V1026-I1030 PolarHBondContact O-N 2.79Å; I1030-P1032 HydrophobicContact CB-CG 4.3Å; I1030-P1032 HydrophobicContact CG2-CB 3.67Å; I1030-P1032 HydrophobicContact CG2-CG 3.57Å
1031	D	60.9	Low	62.3	Low	83 Å²	83	108.2 Å²	108.2	44%	0.444	58%	0.575	S	S	.	*			trans	37.6	45.1	-177.9	-138.5	-4.6	0	0	0	113.3	W1027 R1029 F1033 L1034	W1027-D1031 PolarHBondContact O-N 3.2Å; W1027-D1031 VanDerWaalsContact O-N 3.09Å; R1029-D1031 VanDerWaalsContact C-N 3.29Å; D1031-F1033 PolarHBondContact O-N 3.33Å; D1031-L1034 VanDerWaalsContact OD1-CD1 3.29Å; D1031-L1034 WeakPolarHBondContact OD1-CD1 3.47Å
1032	P	58.3	Low	61.7	Low	69 Å²	69	113.9 Å²	113.9	45%	0.448	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-10.8	-160.3	21.4	-22.5	0	0	0	113.7	I1030	I1030-P1032 HydrophobicContact CB-CG 4.3Å; I1030-P1032 HydrophobicContact CG2-CB 3.67Å; I1030-P1032 HydrophobicContact CG2-CG 3.57Å
1033	F	54.3	Low	61	Low	37 Å²	37	119 Å²	119	16%	0.162	62%	0.621	C	S	.	*	T	Hydrogen-bonded Turn	trans	-119.4	-11.5	-167.9	-64.1	-64.2	0	0	0	114.1	P242 L243 K849 W1027 D1031	P242-F1033 HydrophobicContact CB-CE1 3.99Å; P242-F1033 HydrophobicContact CB-CZ 4.35Å; P242-F1033 HydrophobicContact CG-CE1 3.81Å; L243-F1033 HydrophobicContact CD2-CZ 4.48Å; L243-F1033 HydrophobicContact CG-CE1 4.36Å; L243-F1033 HydrophobicContact CG-CZ 4.2Å; K849-F1033 HydrophobicContact CD-CB 4.41Å; K849-F1033 PolarHBondContact NZ-O 3.02Å; W1027-F1033 AromaticContact CH2-CD2 3.53Å; W1027-F1033 HydrophobicContact CH2-CD2 3.53Å; W1027-F1033 AromaticContact CH2-CE2 3.43Å; W1027-F1033 HydrophobicContact CH2-CE2 3.43Å; W1027-F1033 VanDerWaalsContact CH2-CE2 3.43Å; W1027-F1033 AromaticContact CZ2-CD2 3.76Å; W1027-F1033 HydrophobicContact CZ2-CD2 3.76Å; W1027-F1033 HydrophobicContact CZ2-CE2 4.15Å; W1027-F1033 HydrophobicContact CZ3-CD2 4.46Å; W1027-F1033 HydrophobicContact CZ3-CE2 4.05Å; D1031-F1033 PolarHBondContact O-N 3.33Å
1034	L	51.4	Low	60.8	Low	111 Å²	111	122.8 Å²	122.8	58%	0.581	64%	0.639	S	S	*	*	S	Bend	trans	-72.9	129.1	163.6	-70.8	180	0	0	0	106.8	D1031 K1036	D1031-L1034 VanDerWaalsContact OD1-CD1 3.29Å; D1031-L1034 WeakPolarHBondContact OD1-CD1 3.47Å; L1034-K1036 PolarHBondContact O-N 2.67Å
1035	P	50.5	Low	60.9	Low	106 Å²	106	124.6 Å²	124.6	69%	0.688	65%	0.651	S	S	*	*			trans	-53.1	123.8	166.7	23.3	-29.7	0	0	0	105.5	Q1037	P1035-Q1037 VanDerWaalsContact C-N 3.32Å; P1035-Q1037 PolarHBondContact O-N 2.95Å
1036	K	56.5	Low	60.8	Low	196 Å²	196	122.6 Å²	122.6	85%	0.852	66%	0.659	S	S	*	*			trans	-46.5	112.1	163.7	-73.2	-176.5	179.3	-178	0	103.9	L1034 T1038	L1034-K1036 PolarHBondContact O-N 2.67Å; K1036-T1038 PolarHBondContact O-N 3.16Å
1037	Q	50.8	Low	60.7	Low	186 Å²	186	124.4 Å²	124.4	87%	0.869	67%	0.67	S	S	*	*			trans	-61	99.4	173.5	-77.3	-174.2	-10.9	0	0	103.7	P1035 G1039	P1035-Q1037 VanDerWaalsContact C-N 3.32Å; P1035-Q1037 PolarHBondContact O-N 2.95Å; Q1037-G1039 PolarHBondContact O-N 3.18Å
1038	T	49	Very low	60.7	Low	134 Å²	134	128.2 Å²	128.2	82%	0.822	70%	0.697	S	S	*	*			trans	-62.8	91.4	152.5	47.6	0	0	0	0	101.8	K1036	K1036-T1038 PolarHBondContact O-N 3.16Å
1039	G	58.7	Low	60.8	Low	47 Å²	47	132.4 Å²	132.4	49%	0.485	73%	0.728	S	S	.	*			trans	-45.3	154.1	161.2	0	0	0	0	0	107.8	Q1037 L1041	Q1037-G1039 PolarHBondContact O-N 3.18Å; G1039-L1041 PolarHBondContact O-N 3.27Å
1040	P	61	Low	60.7	Low	111 Å²	111	127.7 Å²	127.7	72%	0.721	72%	0.722	S	S	*	*			trans	-46.7	137.5	-179.4	22.2	-33	0	0	0	108.9	L1042	P1040-L1042 VanDerWaalsContact C-N 3.32Å; P1040-L1042 PolarHBondContact O-N 3.07Å
1041	L	61.3	Low	60.6	Low	168 Å²	168	128.5 Å²	128.5	88%	0.88	73%	0.73	S	S	*	*			trans	-47.5	104	171.6	-90.2	158.9	0	0	0	107	G1039 K1043	G1039-L1041 PolarHBondContact O-N 3.27Å; L1041-K1043 PolarHBondContact O-N 2.8Å
1042	L	63.5	Low	60.6	Low	170 Å²	170	131.1 Å²	131.1	89%	0.89	75%	0.746	S	S	*	*			trans	-69	87.7	178.9	-68.4	172.6	0	0	0	106.1	P1040	P1040-L1042 VanDerWaalsContact C-N 3.32Å; P1040-L1042 PolarHBondContact O-N 3.07Å
1043	K	63.2	Low	60.7	Low	186 Å²	186	134.7 Å²	134.7	81%	0.809	76%	0.763	S	S	*	*			trans	-78.3	125.8	160.6	-77.7	-170.6	176.6	-177	0	106.5	L1041 C1045	L1041-K1043 PolarHBondContact O-N 2.8Å; K1043-C1045 PolarHBondContact O-N 3.37Å
1044	Q	69.1	Low	61.1	Low	195 Å²	195	140.8 Å²	140.8	91%	0.911	80%	0.801	S	S	*	*			trans	-56.3	107.1	173.3	-157	167.9	4.6	0	0	107.8	G1046	Q1044-G1046 PolarHBondContact O-N 3.15Å
1045	C	72	Confident	61.7	Low	107 Å²	107	142.8 Å²	142.8	72%	0.723	82%	0.815	S	S	*	*			trans	-82.5	4.5	-174.1	60.2	0	0	0	0	113.5	K1043 V1047	K1043-C1045 PolarHBondContact O-N 3.37Å; C1045-V1047 PolarHBondContact O-N 3.05Å
1046	G	70.9	Confident	62.6	Low	75 Å²	75	145.4 Å²	145.4	77%	0.773	82%	0.824	S	S	*	*	S	Bend	trans	70.1	16.2	174.5	0	0	0	0	0	114.8	Q1044	Q1044-G1046 PolarHBondContact O-N 3.15Å
1047	V	67.9	Low	63	Low	103 Å²	103	141.5 Å²	141.5	62%	0.624	82%	0.822	S	S	*	*			trans	-106.9	116.3	174.5	-171.2	0	0	0	0	108.4	C1045 C1049	C1045-V1047 PolarHBondContact O-N 3.05Å; V1047-C1049 PolarHBondContact O-N 3.14Å
1048	D	65.4	Low	64	Low	168 Å²	168	137.8 Å²	137.8	90%	0.898	82%	0.818	S	S	*	*			trans	-67.6	116.2	164.3	-96.8	-23.1	0	0	0	107.6
1049	C	66.4	Low	65.4	Low	190 Å²	190	138.2 Å²	138.2	100%	1.284	82%	0.818	S	S	*	*			trans	-81.5	0	179.9	-71.2	0	0	0	0	112.1	V1047	V1047-C1049 PolarHBondContact O-N 3.14Å

Retrieved 1,049 of 1,049 residues in 463.2 ms (Link to these results)

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