A0A087XJT2_POEFO Loading...

RNA exonuclease 1 homolog

AlphaFold DB , UniProt , Accession A0A087XJT2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,127 aa.

						>A0A087XJT2_POEFO|A0A087XJT2
MFPSSGLFIHISCPFSLRGLCERPHCLYKHAAESRETFGGLYKSPVVDLTGDQCDSNFTTVIDNSLHELERLDKQIESVRYEVEQEQRRLSSYQTNQADKSSNKLSTKFETNLSYGFSSSKNHKSHVQAQKYVVDNSKPRTDLEYDPMSNFSAALHSCSSSGKEAKNRPDRKSSRSFGEKPSTHQAQMYRPRSPEILDDDSTEDGVLVIDVSLSPDKTLDQTQHTADSGKSSQNTERDLKEIKAVNVYLDFQPQMVKTKVVNAASCDDADKVPEIHPVSSTLDKTQDCSNDERNVVDLTGCLEELERECENTGFQSPERKKKWTEPGGFSFPSDQPSNLLMEQTYKAQKKDLKSQNSFVCKRSYPNTQFKQNSITDQDKLKVQSQLCVLQNGEKTKMKAFTNQKQVEAAQDSSQIQIHNVRSVNPHSRSESTEQLLQEEDEAVIIIDSSPEDEDHEDEVNYSELSESDPMEECYRIFMEANTEEKGSEEQGGASIEAEVETPEVNAANQNLTGRKRLAHEAKNSEQPLAKMRPQPQVLVPLREPGGSVSRLSICAKVQQVQYQASAAPAKLGQNLLSSVSQKKPETQTVPSTPTLKNLQVYPGQNAYLSCVPLGTAVIEVGSDLHLILPQGHFPLSATSSSSPVSSVLTPVSRVHPNPTAVRQTTSPAAVSALPKYRSTAPLLIAAPARRPAASTAFGSSVQSTVGISTASQAVTQTAVKPLPVKRKLKQQSEAARDKVPHDVRQRYVNMFTEEFLKTTADVNEAFEKALTEEKSVYNRSVNKLKYLSIAVNALKRLKNQSATAKKEKQTQSQRPKGNIPFNQRKMKENGDLVLYEILKGYTLTDEQMIENNYPVQHPEKPGSAVLFSDKKVSTDSLKRICCRCGATYSVGKTGKHLRTEECNYHYGKGVTNRVPGGVETRYSCCQGVMGAPGCQMFKLHVHDYLSLDGFVSTAPRRPSDSSCPGVYSLDCEMCYTVQGLELSRVTVISSSLQVVYDTFVKPDNEVIDYNTRFSGISEEDVKGNHTSLKEVQDTLLSFISADTILVGHGLETDLCLLKLLHGTVVDTSVVFPHRLGPPNKLSLNSLTAEYLRRIIQESVCGHDTGEDAAACMELMLWKMKEDGKLKK
					

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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	40.8	Very low	54.4	Low	242 Å²	242	122.5 Å²	122.5	100%	1.192	65%	0.652	S	S	*	*				0	140.5	0	-69.1	150.9	72.1	0	0	107.7
2	F	32.3	Very low	56.1	Low	204 Å²	204	118.9 Å²	118.9	90%	0.895	64%	0.644	S	S	*	*			trans	-84	153.6	-179.6	-68.4	-80.1	0	0	0	111.3
3	P	43.6	Very low	57.8	Low	120 Å²	120	109.9 Å²	109.9	78%	0.779	60%	0.596	S	S	*	*			trans	-69.4	149.5	179.5	29.1	-35.3	0	0	0	112.5	S5	P3-S5 PolarHBondContact O-N 3.19Å
4	S	49	Very low	58.7	Low	53 Å²	53	108.1 Å²	108.1	37%	0.371	59%	0.592	S	S	.	*			trans	-75	102.4	-177.6	54.7	0	0	0	0	112.6	I9	S4-I9 VanDerWaalsContact O-CD1 3.25Å; S4-I9 WeakPolarHBondContact O-CD1 3.35Å
5	S	46.1	Very low	59.2	Low	112 Å²	112	110 Å²	110	78%	0.783	59%	0.593	S	S	*	*			trans	-94.2	107.4	170.6	56.7	0	0	0	0	111	P3	P3-S5 PolarHBondContact O-N 3.19Å
6	G	56.7	Low	59.7	Low	24 Å²	24	105.3 Å²	105.3	25%	0.247	57%	0.571	C	S	.	*	S	Bend	trans	-169.2	163	-179.2	0	0	0	0	0	113.3	F8 I9	G6-F8 PolarHBondContact O-N 2.93Å; G6-I9 WeakPolarHBondContact O-CB 3.43Å; G6-I9 PolarHBondContact O-N 3.28Å; G6-I9 VanDerWaalsContact O-N 3.16Å
7	L	60.5	Low	59.5	Low	164 Å²	164	108.2 Å²	108.2	86%	0.859	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-19.7	-171.4	-74.6	161.5	0	0	0	115
8	F	63.3	Low	59.5	Low	89 Å²	89	113.9 Å²	113.9	39%	0.39	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.9	20.7	-178.5	-53.7	-68.4	0	0	0	114	G6 H10 I11 L27 Y28	G6-F8 PolarHBondContact O-N 2.93Å; F8-H10 PolarHBondContact O-N 3.1Å; F8-I11 HydrophobicContact CD1-CD1 4.09Å; F8-I11 PolarHBondContact O-N 3.14Å; F8-L27 CarbonylContact C-O 3.56Å; F8-L27 VanDerWaalsContact C-O 3.23Å; F8-L27 WeakPolarHBondContact CA-O 3.2Å; F8-L27 WeakPolarHBondContact CB-O 3.46Å; F8-L27 HydrophobicContact CD2-CB 4.37Å; F8-L27 PolarHBondContact N-O 3.01Å; F8-Y28 HydrophobicContact CB-CD1 3.63Å; F8-Y28 HydrophobicContact CB-CE1 3.73Å; F8-Y28 HydrophobicContact CB-CG 4.22Å; F8-Y28 HydrophobicContact CD1-CE1 4.47Å; F8-Y28 HydrophobicContact CD2-CE1 4.32Å; F8-Y28 HydrophobicContact CG-CD1 4.34Å; F8-Y28 AromaticContact CG-CE1 3.93Å; F8-Y28 HydrophobicContact CG-CE1 3.93Å
9	I	67.8	Low	59.6	Low	72 Å²	72	111.4 Å²	111.4	37%	0.369	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-56.2	-15.8	178	-164	175.2	0	0	0	114.8	S4 G6 L27 K29	S4-I9 VanDerWaalsContact O-CD1 3.25Å; S4-I9 WeakPolarHBondContact O-CD1 3.35Å; G6-I9 WeakPolarHBondContact O-CB 3.43Å; G6-I9 PolarHBondContact O-N 3.28Å; G6-I9 VanDerWaalsContact O-N 3.16Å; I9-L27 PolarHBondContact N-O 3.19Å; I9-K29 WeakPolarHBondContact O-CB 3.37Å; I9-K29 WeakPolarHBondContact O-CD 3.14Å; I9-K29 WeakPolarHBondContact O-CG 3.39Å
10	H	66.3	Low	59.6	Low	172 Å²	172	112.4 Å²	112.4	80%	0.796	61%	0.605	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.4	-12	175.9	-61.9	-72.4	0	0	0	114.1	F8	F8-H10 PolarHBondContact O-N 3.1Å
11	I	72.1	Confident	60.2	Low	95 Å²	95	108.2 Å²	108.2	49%	0.487	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.5	125.4	-177.1	-56.8	179.2	0	0	0	109.3	F8 C13 Y28 K29	F8-I11 HydrophobicContact CD1-CD1 4.09Å; F8-I11 PolarHBondContact O-N 3.14Å; I11-C13 PolarHBondContact O-N 3.28Å; I11-Y28 HydrophobicContact CB-CD1 4.09Å; I11-Y28 HydrophobicContact CB-CE1 4.48Å; I11-Y28 HydrophobicContact CG2-CD1 4.04Å; I11-Y28 HydrophobicContact CG2-CE1 4.25Å; I11-K29 WeakPolarHBondContact O-CB 3.39Å; I11-K29 PolarHBondContact O-N 2.85Å
12	S	75.1	Confident	61.3	Low	80 Å²	80	105.4 Å²	105.4	56%	0.559	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.7	132.4	177	-60.8	0	0	0	0	112	P14 K29	S12-P14 WeakPolarHBondContact O-CD 3.43Å; S12-K29 CarbonylContact C-O 3.47Å; S12-K29 WeakPolarHBondContact CA-O 3.45Å
13	C	77.9	Confident	63.1	Low	2 Å²	2	105 Å²	105	1%	0.014	56%	0.561	C	S	.	*			trans	-63.5	119.2	176	176.5	0	0	0	0	110.6	I11 F15 S16 K29 H30	I11-C13 PolarHBondContact O-N 3.28Å; C13-F15 PolarHBondContact O-N 2.98Å; C13-S16 WeakPolarHBondContact O-CB 3.38Å; C13-S16 PolarHBondContact O-N 2.83Å; C13-K29 PolarHBondContact N-O 3.33Å; C13-H30 VanDerWaalsContact CB-CD2 3.44Å; C13-H30 WeakPolarHBondContact CB-CD2 3.32Å
14	P	70.4	Confident	63.6	Low	85 Å²	85	104.9 Å²	104.9	55%	0.552	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-26.1	-177.4	24.2	-32.9	0	0	0	112.8	S12	S12-P14 WeakPolarHBondContact O-CD 3.43Å
15	F	66.4	Low	64.3	Low	136 Å²	136	110.3 Å²	110.3	60%	0.596	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-18.5	176.1	-57.2	-77.5	0	0	0	113.3	C13 L17 R18 L20 C21	C13-F15 PolarHBondContact O-N 2.98Å; F15-L17 VanDerWaalsContact C-N 3.32Å; F15-L17 PolarHBondContact O-N 3.39Å; F15-R18 PolarHBondContact O-N 3.21Å; F15-L20 PolarHBondContact O-N 3.25Å; F15-C21 HydrophobicContact CB-CB 4.02Å
16	S	67.2	Low	65.6	Low	35 Å²	35	106 Å²	106	25%	0.245	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-69.4	-29.2	175.3	-176	0	0	0	0	112.3	C13 R18 G19	C13-S16 WeakPolarHBondContact O-CB 3.38Å; C13-S16 PolarHBondContact O-N 2.83Å; S16-R18 PolarHBondContact O-N 2.95Å; S16-R18 VanDerWaalsContact O-N 3.14Å; S16-G19 PolarHBondContact O-N 3.5Å; S16-G19 VanDerWaalsContact O-N 3.1Å
17	L	56.6	Low	66.3	Low	154 Å²	154	109.2 Å²	109.2	81%	0.806	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-65.9	-9.4	176.3	-83.7	163.5	0	0	0	114.1	F15	F15-L17 VanDerWaalsContact C-N 3.32Å; F15-L17 PolarHBondContact O-N 3.39Å
18	R	58.4	Low	66.8	Low	212 Å²	212	105.7 Å²	105.7	80%	0.8	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-117.3	3.3	172.4	-63.8	-169.4	178.5	-156.3	0.6	113.6	F15 S16 L20	F15-R18 PolarHBondContact O-N 3.21Å; S16-R18 PolarHBondContact O-N 2.95Å; S16-R18 VanDerWaalsContact O-N 3.14Å; R18-L20 HydrophobicContact CB-CD1 4.19Å; R18-L20 HydrophobicContact CB-CG 4.21Å; R18-L20 PolarHBondContact O-N 2.92Å
19	G	61	Low	67.3	Low	65 Å²	65	106.6 Å²	106.6	67%	0.67	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	3.8	-176.1	0	0	0	0	0	115.7	S16 C21	S16-G19 PolarHBondContact O-N 3.5Å; S16-G19 VanDerWaalsContact O-N 3.1Å; G19-C21 PolarHBondContact O-N 3.28Å
20	L	60.5	Low	67.8	Low	132 Å²	132	106.6 Å²	106.6	69%	0.691	54%	0.538	S	S	*	.			trans	-91.7	17.9	-171.6	-61	174.9	0	0	0	114.2	F15 R18 E22	F15-L20 PolarHBondContact O-N 3.25Å; R18-L20 HydrophobicContact CB-CD1 4.19Å; R18-L20 HydrophobicContact CB-CG 4.21Å; R18-L20 PolarHBondContact O-N 2.92Å; L20-E22 PolarHBondContact O-N 3.3Å
21	C	72.1	Confident	67.5	Low	24 Å²	24	102.1 Å²	102.1	16%	0.162	53%	0.531	C	S	.	.			trans	-100.7	79.2	-176.2	-167.3	0	0	0	0	111.7	F15 G19 R23 H30	F15-C21 HydrophobicContact CB-CB 4.02Å; G19-C21 PolarHBondContact O-N 3.28Å; C21-R23 VanDerWaalsContact C-N 3.25Å; C21-R23 PolarHBondContact O-N 3.4Å; C21-H30 VanDerWaalsContact SG-CE1 3.51Å; C21-H30 PolarHBondContact SG-NE2 3.44Å; C21-H30 VanDerWaalsContact SG-NE2 3.36Å
22	E	63.5	Low	66.4	Low	184 Å²	184	102.7 Å²	102.7	86%	0.86	55%	0.549	S	S	*	.			trans	-80	1.3	-179.7	-58.5	-174.1	151.5	0	0	114.1	L20 P24	L20-E22 PolarHBondContact O-N 3.3Å; E22-P24 WeakPolarHBondContact O-CD 3.34Å
23	R	69.6	Low	64.6	Low	196 Å²	196	107.6 Å²	107.6	74%	0.74	56%	0.563	S	S	*	*			trans	-68.1	116.3	-176.8	-71	-176.4	175.5	175.8	-1.2	110.9	C21 H25 C26	C21-R23 VanDerWaalsContact C-N 3.25Å; C21-R23 PolarHBondContact O-N 3.4Å; R23-H25 PolarHBondContact O-N 3.5Å; R23-H25 VanDerWaalsContact O-N 3.09Å; R23-C26 PolarHBondContact O-N 3.31Å
24	P	54.8	Low	62.4	Low	117 Å²	117	113 Å²	113	76%	0.76	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-15.3	-172.4	26.8	-35.7	0	0	0	114.2	E22	E22-P24 WeakPolarHBondContact O-CD 3.34Å
25	H	64.4	Low	60.6	Low	166 Å²	166	121 Å²	121	77%	0.769	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	50.1	178.2	-56.4	-44.6	0	0	0	111.2	R23 L27	R23-H25 PolarHBondContact O-N 3.5Å; R23-H25 VanDerWaalsContact O-N 3.09Å; H25-L27 PolarHBondContact O-N 3.36Å
26	C	72.5	Confident	58.9	Low	21 Å²	21	122.7 Å²	122.7	14%	0.142	63%	0.63	C	S	.	*			trans	-64.4	126.3	173.1	-162.1	0	0	0	0	110.8	R23 Y28	R23-C26 PolarHBondContact O-N 3.31Å; C26-Y28 VanDerWaalsContact C-N 3.29Å
27	L	71.3	Confident	57.2	Low	93 Å²	93	126.8 Å²	126.8	49%	0.487	65%	0.654	S	S	.	*			trans	-82.3	-6.5	-179	-63.1	173.3	0	0	0	113.5	F8 I9 H25	F8-L27 CarbonylContact C-O 3.56Å; F8-L27 VanDerWaalsContact C-O 3.23Å; F8-L27 WeakPolarHBondContact CA-O 3.2Å; F8-L27 WeakPolarHBondContact CB-O 3.46Å; F8-L27 HydrophobicContact CD2-CB 4.37Å; F8-L27 PolarHBondContact N-O 3.01Å; I9-L27 PolarHBondContact N-O 3.19Å; H25-L27 PolarHBondContact O-N 3.36Å
28	Y	71.9	Confident	55.8	Low	89 Å²	89	129.4 Å²	129.4	35%	0.349	66%	0.659	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.8	154.6	-179.4	-66.5	-85.1	0	0	0	111.5	F8 I11 C26 H30	F8-Y28 HydrophobicContact CB-CD1 3.63Å; F8-Y28 HydrophobicContact CB-CE1 3.73Å; F8-Y28 HydrophobicContact CB-CG 4.22Å; F8-Y28 HydrophobicContact CD1-CE1 4.47Å; F8-Y28 HydrophobicContact CD2-CE1 4.32Å; F8-Y28 HydrophobicContact CG-CD1 4.34Å; F8-Y28 AromaticContact CG-CE1 3.93Å; F8-Y28 HydrophobicContact CG-CE1 3.93Å; I11-Y28 HydrophobicContact CB-CD1 4.09Å; I11-Y28 HydrophobicContact CB-CE1 4.48Å; I11-Y28 HydrophobicContact CG2-CD1 4.04Å; I11-Y28 HydrophobicContact CG2-CE1 4.25Å; C26-Y28 VanDerWaalsContact C-N 3.29Å; Y28-H30 PolarHBondContact O-N 2.86Å
29	K	74.3	Confident	54.3	Low	108 Å²	108	123.4 Å²	123.4	47%	0.47	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.4	126.1	179.5	-160.4	-177.1	-177.3	-178.8	0	111.6	I9 I11 S12 C13	I9-K29 WeakPolarHBondContact O-CB 3.37Å; I9-K29 WeakPolarHBondContact O-CD 3.14Å; I9-K29 WeakPolarHBondContact O-CG 3.39Å; I11-K29 WeakPolarHBondContact O-CB 3.39Å; I11-K29 PolarHBondContact O-N 2.85Å; S12-K29 CarbonylContact C-O 3.47Å; S12-K29 WeakPolarHBondContact CA-O 3.45Å; C13-K29 PolarHBondContact N-O 3.33Å
30	H	76.4	Confident	52.6	Low	72 Å²	72	123.7 Å²	123.7	33%	0.333	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-98.7	141.2	163.3	-72.8	-154.8	0	0	0	108.8	C13 C21 Y28	C13-H30 VanDerWaalsContact CB-CD2 3.44Å; C13-H30 WeakPolarHBondContact CB-CD2 3.32Å; C21-H30 VanDerWaalsContact SG-CE1 3.51Å; C21-H30 PolarHBondContact SG-NE2 3.44Å; C21-H30 VanDerWaalsContact SG-NE2 3.36Å; Y28-H30 PolarHBondContact O-N 2.86Å
31	A	60.3	Low	51.2	Low	79 Å²	79	123.9 Å²	123.9	65%	0.653	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-83.1	119.4	173.8	0	0	0	0	0	109.4	E33	A31-E33 PolarHBondContact O-N 3.47Å
32	A	49.6	Very low	49.2	Very low	106 Å²	106	134.3 Å²	134.3	88%	0.876	71%	0.705	S	S	*	*			trans	-86.5	89.9	176.9	0	0	0	0	0	109.9
33	E	37.9	Very low	47.6	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	70%	0.7	S	S	*	*			trans	-79.1	129	173.7	-67.6	-166.8	157.2	0	0	111.2	A31	A31-E33 PolarHBondContact O-N 3.47Å
34	S	31.9	Very low	45.5	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	71%	0.705	S	S	*	*			trans	-77.4	127.2	-179.1	44.7	0	0	0	0	111.5
35	R	31.3	Very low	44.6	Very low	252 Å²	252	129.8 Å²	129.8	95%	0.951	70%	0.702	S	S	*	*			trans	-117.2	77.4	174.4	-154.6	177.1	-166.9	-167	3.7	111.4
36	E	30.4	Very low	42.9	Very low	172 Å²	172	128.4 Å²	128.4	80%	0.804	71%	0.705	S	S	*	*			trans	-77.4	168	169.7	-67	-165.5	142.7	0	0	112.2
37	T	32	Very low	40.8	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	73%	0.73	S	S	*	*			trans	87.3	83.1	172.1	-34	0	0	0	0	116.8
38	F	28.5	Very low	38.8	Very low	210 Å²	210	134 Å²	134	92%	0.921	74%	0.738	S	S	*	*				-175.4	128.4	106.4	-111.4	-81.5	0	0	0	109.4
39	G	25.9	Very low	36.7	Very low	85 Å²	85	137.3 Å²	137.3	88%	0.876	76%	0.761	S	S	*	*			trans	-177.5	38.3	-171.7	0	0	0	0	0	115.9
40	G	26.2	Very low	34.8	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	78%	0.776	S	S	*	*			trans	-107.2	118.8	-179.7	0	0	0	0	0	113.2
41	L	30.9	Very low	32.5	Very low	135 Å²	135	138.4 Å²	138.4	71%	0.707	80%	0.796	S	S	*	*			trans	63.3	101	159.2	-164	76.8	0	0	0	118.8	K43	L41-K43 HydrophobicContact CD1-CG 4.03Å
42	Y	28.9	Very low	31.4	Very low	244 Å²	244	141.9 Å²	141.9	96%	0.957	80%	0.804	S	S	*	*				-135.4	148.3	127.8	-108.3	-83.8	0	0	0	109.5
43	K	29.7	Very low	30.7	Very low	174 Å²	174	145.5 Å²	145.5	76%	0.757	80%	0.802	S	S	*	*			trans	-105.3	148.5	-171.9	-62.2	179.4	179.5	-179.9	0	111.8	L41	L41-K43 HydrophobicContact CD1-CG 4.03Å
44	S	25.4	Very low	30.7	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	80%	0.795	S	S	*	*			trans	-143.2	157	147.7	-103.1	0	0	0	0	109.4
45	P	36.3	Very low	30.8	Very low	107 Å²	107	142.8 Å²	142.8	70%	0.695	79%	0.792	S	S	*	*			trans	-89.7	141.7	-142.8	31.6	-36.2	0	0	0	115.2
46	V	28.9	Very low	31.3	Very low	137 Å²	137	135.9 Å²	135.9	83%	0.83	78%	0.782	S	S	*	*			trans	-73.7	127.6	142.1	174.8	0	0	0	0	107
47	V	28.2	Very low	32	Very low	111 Å²	111	133 Å²	133	67%	0.673	77%	0.772	S	S	*	*			trans	-103.6	112.8	159.7	178.3	0	0	0	0	106.3	L49	V47-L49 HydrophobicContact CG1-CG 4.23Å
48	D	29.1	Very low	32.4	Very low	122 Å²	122	135.2 Å²	135.2	65%	0.652	77%	0.772	S	S	*	*			trans	-81	132.1	170.1	-175.8	15.5	0	0	0	108.9
49	L	28.6	Very low	33	Very low	158 Å²	158	130 Å²	130	83%	0.827	76%	0.758	S	S	*	*			trans	-134.3	85.6	172.9	-80	179	0	0	0	108.8	V47	V47-L49 HydrophobicContact CG1-CG 4.23Å
50	T	35.3	Very low	33.9	Very low	129 Å²	129	129.9 Å²	129.9	79%	0.791	74%	0.74	S	S	*	*			trans	-74.5	118.3	163.6	34.1	0	0	0	0	109.5
51	G	27.9	Very low	35	Very low	74 Å²	74	130.8 Å²	130.8	76%	0.763	73%	0.731	S	S	*	*			trans	176.9	113.8	178.4	0	0	0	0	0	113.5
52	D	36.1	Very low	36.1	Very low	151 Å²	151	129.1 Å²	129.1	81%	0.807	72%	0.722	S	S	*	*			trans	-63.7	129.9	-175.8	-60.9	-64.5	0	0	0	114.5
53	Q	35.8	Very low	37.2	Very low	182 Å²	182	122.3 Å²	122.3	85%	0.85	70%	0.702	S	S	*	*				-179.3	163.8	108.9	-99.3	155	98.7	0	0	114.9
54	C	37.8	Very low	38.4	Very low	104 Å²	104	119.1 Å²	119.1	70%	0.703	69%	0.693	S	S	*	*			trans	-13.7	134.3	177.1	57.1	0	0	0	0	120.8
55	D	33.3	Very low	40.1	Very low	138 Å²	138	116.5 Å²	116.5	74%	0.738	67%	0.674	S	S	*	*				-164.5	128.8	92.6	-109.7	-17.7	0	0	0	114	N57	D55-N57 PolarHBondContact O-N 2.88Å
56	S	42.6	Very low	41.5	Very low	107 Å²	107	117 Å²	117	75%	0.748	67%	0.671	S	S	*	*			trans	-97.2	44.3	-166.9	65.7	0	0	0	0	114.6
57	N	45.2	Very low	43.2	Very low	112 Å²	112	115.8 Å²	115.8	60%	0.599	66%	0.656	S	S	*	*			trans	-120.6	-4.7	-170.5	-75.5	-47.6	0	0	0	116.1	D55	D55-N57 PolarHBondContact O-N 2.88Å
58	F	39.8	Very low	45.3	Very low	168 Å²	168	115.5 Å²	115.5	74%	0.737	65%	0.647	S	S	*	*	S	Bend	trans	-91.3	-35.4	-173.1	-140.5	-93.8	0	0	0	114.3	T60 V61 I62	F58-T60 PolarHBondContact O-N 3.19Å; F58-V61 PolarHBondContact O-N 2.96Å; F58-I62 HydrophobicContact CD1-CD1 4.4Å
59	T	41.3	Very low	47.1	Very low	101 Å²	101	114.9 Å²	114.9	62%	0.62	64%	0.643	S	S	*	*	H	α-helix	trans	-64.3	-43.8	-173.9	-26.9	0	0	0	0	112.5	V61 I62 D63	T59-V61 PolarHBondContact O-N 3.03Å; T59-V61 VanDerWaalsContact O-N 3.11Å; T59-I62 PolarHBondContact O-N 2.84Å; T59-D63 PolarHBondContact O-N 3.07Å
60	T	44.9	Very low	49.5	Very low	82 Å²	82	112.5 Å²	112.5	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-63.2	-18	-178	18.5	0	0	0	0	114.3	F58 N64	F58-T60 PolarHBondContact O-N 3.19Å; T60-N64 PolarHBondContact O-ND2 3.49Å
61	V	50	Low	51.7	Low	91 Å²	91	113.4 Å²	113.4	55%	0.552	62%	0.617	S	S	*	*	H	α-helix	trans	-80.1	-33.3	176.1	-176.2	0	0	0	0	111.1	F58 T59 S65	F58-V61 PolarHBondContact O-N 2.96Å; T59-V61 PolarHBondContact O-N 3.03Å; T59-V61 VanDerWaalsContact O-N 3.11Å; V61-S65 PolarHBondContact O-N 3.28Å; V61-S65 PolarHBondContact O-OG 3.47Å
62	I	52.7	Low	54.3	Low	100 Å²	100	114.1 Å²	114.1	51%	0.513	60%	0.603	S	S	.	*	H	α-helix	trans	-74.8	-47.2	-177.9	-59.5	178.3	0	0	0	110.3	F58 T59 N64 S65 L66	F58-I62 HydrophobicContact CD1-CD1 4.4Å; T59-I62 PolarHBondContact O-N 2.84Å; I62-N64 PolarHBondContact O-N 3.42Å; I62-S65 WeakPolarHBondContact O-CB 3.4Å; I62-S65 PolarHBondContact O-N 2.76Å; I62-S65 VanDerWaalsContact O-N 3.08Å; I62-L66 PolarHBondContact O-N 3.36Å
63	D	52.6	Low	56.4	Low	100 Å²	100	112.2 Å²	112.2	54%	0.535	59%	0.592	S	S	.	*	H	α-helix	trans	-61.6	-41.5	179.8	-63.7	-29.7	0	0	0	112.3	T59 S65 L66 H67	T59-D63 PolarHBondContact O-N 3.07Å; D63-S65 VanDerWaalsContact C-N 3.33Å; D63-S65 PolarHBondContact O-N 3.34Å; D63-L66 PolarHBondContact O-N 2.84Å; D63-H67 PolarHBondContact O-N 3.06Å; D63-H67 VanDerWaalsContact O-N 3.08Å
64	N	55	Low	58.9	Low	107 Å²	107	111.2 Å²	111.2	57%	0.572	59%	0.585	S	S	*	*	H	α-helix	trans	-62	-39.8	173.9	-82.2	-52.3	0	0	0	112	T60 I62 L66 H67 E68	T60-N64 PolarHBondContact O-ND2 3.49Å; I62-N64 PolarHBondContact O-N 3.42Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.35Å; N64-H67 PolarHBondContact O-N 3.11Å; N64-E68 WeakPolarHBondContact O-CG 3.37Å; N64-E68 PolarHBondContact O-N 3.48Å
65	S	60.6	Low	61.1	Low	65 Å²	65	112.1 Å²	112.1	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-66.3	-34.4	177.8	-57.3	0	0	0	0	112.2	V61 I62 D63 L69	V61-S65 PolarHBondContact O-N 3.28Å; V61-S65 PolarHBondContact O-OG 3.47Å; I62-S65 WeakPolarHBondContact O-CB 3.4Å; I62-S65 PolarHBondContact O-N 2.76Å; I62-S65 VanDerWaalsContact O-N 3.08Å; D63-S65 VanDerWaalsContact C-N 3.33Å; D63-S65 PolarHBondContact O-N 3.34Å; S65-L69 WeakPolarHBondContact O-CG 3.14Å; S65-L69 PolarHBondContact O-N 2.98Å
66	L	66.4	Low	63.5	Low	118 Å²	118	109.3 Å²	109.3	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-73.3	-38.7	178.7	-163.8	136.9	0	0	0	112	I62 D63 N64 L69 E70	I62-L66 PolarHBondContact O-N 3.36Å; D63-L66 PolarHBondContact O-N 2.84Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.35Å; L66-L69 PolarHBondContact O-N 3.02Å; L66-E70 PolarHBondContact O-N 2.94Å
67	H	64.9	Low	65.5	Low	111 Å²	111	109.1 Å²	109.1	51%	0.514	55%	0.551	S	S	.	*	H	α-helix	trans	-69.1	-30.7	172.2	-105.9	-29.4	0	0	0	113.6	D63 N64 E70 R71	D63-H67 PolarHBondContact O-N 3.06Å; D63-H67 VanDerWaalsContact O-N 3.08Å; N64-H67 PolarHBondContact O-N 3.11Å; H67-E70 IonicContact CE1-OE2 2.67Å; H67-E70 PolarHBondContact CE1-OE2 2.59Å; H67-E70 VanDerWaalsContact CE1-OE2 3.26Å; H67-E70 IonicContact ND1-OE2 3.93Å; H67-E70 PolarHBondContact ND1-OE2 3.21Å; H67-R71 VanDerWaalsContact O-CG 3.31Å; H67-R71 WeakPolarHBondContact O-CG 3.5Å; H67-R71 PolarHBondContact O-N 3.45Å
68	E	70.9	Confident	67.6	Low	105 Å²	105	107.1 Å²	107.1	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-39.9	171.7	-74.3	-80.2	101.1	0	0	111.4	N64 R71 L72	N64-E68 WeakPolarHBondContact O-CG 3.37Å; N64-E68 PolarHBondContact O-N 3.48Å; E68-R71 WeakPolarHBondContact O-CB 3.25Å; E68-R71 PolarHBondContact O-N 2.8Å; E68-R71 IonicContact OE1-CZ 3.97Å; E68-R71 IonicContact OE1-NH1 3.68Å; E68-R71 PolarHBondContact OE1-NH1 3.34Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 2.91Å
69	L	67.9	Low	69.9	Low	110 Å²	110	103 Å²	103	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-45.8	174.1	-72.5	167.1	0	0	0	112.1	S65 L66 R71 L72 D73	S65-L69 WeakPolarHBondContact O-CG 3.14Å; S65-L69 PolarHBondContact O-N 2.98Å; L66-L69 PolarHBondContact O-N 3.02Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 3.26Å; L69-L72 PolarHBondContact O-N 3.47Å; L69-D73 PolarHBondContact O-N 3.33Å
70	E	78	Confident	71.7	Confident	107 Å²	107	105.4 Å²	105.4	50%	0.5	53%	0.532	S	S	.	.	H	α-helix	trans	-58.7	-38.1	175.7	-170.8	-168.1	-165.1	0	0	112	L66 H67 K74	L66-E70 PolarHBondContact O-N 2.94Å; H67-E70 IonicContact CE1-OE2 2.67Å; H67-E70 PolarHBondContact CE1-OE2 2.59Å; H67-E70 VanDerWaalsContact CE1-OE2 3.26Å; H67-E70 IonicContact ND1-OE2 3.93Å; H67-E70 PolarHBondContact ND1-OE2 3.21Å; E70-K74 VanDerWaalsContact O-CB 3.26Å; E70-K74 WeakPolarHBondContact O-CB 3.13Å; E70-K74 PolarHBondContact O-N 3.39Å; E70-K74 VanDerWaalsContact O-N 3.1Å
71	R	82.6	Confident	73.7	Confident	148 Å²	148	107.8 Å²	107.8	56%	0.558	53%	0.533	S	S	*	.	H	α-helix	trans	-65	-41	172.8	-76.5	171.3	177.1	168.3	1.1	112.6	H67 E68 L69 K74 Q75	H67-R71 VanDerWaalsContact O-CG 3.31Å; H67-R71 WeakPolarHBondContact O-CG 3.5Å; H67-R71 PolarHBondContact O-N 3.45Å; E68-R71 WeakPolarHBondContact O-CB 3.25Å; E68-R71 PolarHBondContact O-N 2.8Å; E68-R71 IonicContact OE1-CZ 3.97Å; E68-R71 IonicContact OE1-NH1 3.68Å; E68-R71 PolarHBondContact OE1-NH1 3.34Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 3.26Å; R71-K74 PolarHBondContact O-N 2.82Å; R71-Q75 WeakPolarHBondContact O-CG 3.35Å; R71-Q75 PolarHBondContact O-N 3.37Å
72	L	82.3	Confident	75.6	Confident	90 Å²	90	109.7 Å²	109.7	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-66.7	-46.1	179.6	-75.2	168.4	0	0	0	111.6	E68 L69 K74 Q75 I76	E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 2.91Å; L69-L72 PolarHBondContact O-N 3.47Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.5Å; L72-Q75 WeakPolarHBondContact O-CB 3.44Å; L72-Q75 PolarHBondContact O-N 3.36Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; L72-I76 WeakPolarHBondContact O-CG1 3.45Å; L72-I76 PolarHBondContact O-N 3.23Å
73	D	80.8	Confident	77.2	Confident	110 Å²	110	109.3 Å²	109.3	59%	0.588	54%	0.538	S	S	*	.	H	α-helix	trans	-62.3	-39.4	175.7	-78.8	-24.2	0	0	0	111.6	L69 Q75 I76 E77	L69-D73 PolarHBondContact O-N 3.33Å; D73-Q75 VanDerWaalsContact C-N 3.31Å; D73-Q75 PolarHBondContact O-N 2.84Å; D73-I76 PolarHBondContact O-N 3.35Å; D73-E77 PolarHBondContact O-N 3.31Å
74	K	87.4	Confident	78.9	Confident	161 Å²	161	109.2 Å²	109.2	70%	0.7	53%	0.534	S	S	*	.	H	α-helix	trans	-66.2	-30.2	175	-162.2	165.9	-168.9	163.7	0	113.3	E70 R71 L72 S78	E70-K74 VanDerWaalsContact O-CB 3.26Å; E70-K74 WeakPolarHBondContact O-CB 3.13Å; E70-K74 PolarHBondContact O-N 3.39Å; E70-K74 VanDerWaalsContact O-N 3.1Å; R71-K74 PolarHBondContact O-N 2.82Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.5Å; K74-S78 WeakPolarHBondContact O-CB 3.43Å; K74-S78 PolarHBondContact O-N 2.82Å
75	Q	83.4	Confident	80.2	Confident	123 Å²	123	107.8 Å²	107.8	58%	0.575	52%	0.524	S	S	*	.	H	α-helix	trans	-73.4	-41.9	169.8	-75.6	179	6.4	0	0	112	R71 L72 D73 E77 S78 V79	R71-Q75 WeakPolarHBondContact O-CG 3.35Å; R71-Q75 PolarHBondContact O-N 3.37Å; L72-Q75 WeakPolarHBondContact O-CB 3.44Å; L72-Q75 PolarHBondContact O-N 3.36Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; D73-Q75 VanDerWaalsContact C-N 3.31Å; D73-Q75 PolarHBondContact O-N 2.84Å; Q75-E77 VanDerWaalsContact C-N 3.33Å; Q75-E77 PolarHBondContact O-N 3.17Å; Q75-S78 WeakPolarHBondContact O-CB 3.35Å; Q75-S78 PolarHBondContact O-N 3.13Å; Q75-V79 WeakPolarHBondContact O-CG2 3.48Å; Q75-V79 PolarHBondContact O-N 3.35Å
76	I	84.8	Confident	81.3	Confident	80 Å²	80	109 Å²	109	41%	0.41	52%	0.523	S	S	.	.	H	α-helix	trans	-59.3	-44.9	176.6	-71.1	163.4	0	0	0	110.3	L72 D73 V79 R80	L72-I76 WeakPolarHBondContact O-CG1 3.45Å; L72-I76 PolarHBondContact O-N 3.23Å; D73-I76 PolarHBondContact O-N 3.35Å; I76-V79 PolarHBondContact O-N 3.09Å; I76-R80 WeakPolarHBondContact O-CG 3.46Å; I76-R80 PolarHBondContact O-N 2.64Å
77	E	84.9	Confident	81.8	Confident	102 Å²	102	109.5 Å²	109.5	48%	0.477	52%	0.522	S	S	.	.	H	α-helix	trans	-70.4	-34.1	178.5	-152.5	57.5	-139.1	0	0	112.6	D73 Q75 V79 R80 Y81	D73-E77 PolarHBondContact O-N 3.31Å; Q75-E77 VanDerWaalsContact C-N 3.33Å; Q75-E77 PolarHBondContact O-N 3.17Å; E77-V79 PolarHBondContact O-N 3.4Å; E77-R80 PolarHBondContact O-N 2.76Å; E77-R80 WeakPolarHBondContact OE2-CD 3.44Å; E77-R80 IonicContact OE2-CZ 3.45Å; E77-R80 IonicContact OE2-NE 3.04Å; E77-R80 IonicContact OE2-NH1 2.63Å; E77-R80 PolarHBondContact OE2-NH1 3.48Å; E77-Y81 WeakPolarHBondContact O-CB 3.33Å; E77-Y81 PolarHBondContact O-N 2.91Å
78	S	88.9	Confident	82.6	Confident	71 Å²	71	109.9 Å²	109.9	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-41.6	170	-169	0	0	0	0	112.2	K74 Q75 Y81 E82	K74-S78 WeakPolarHBondContact O-CB 3.43Å; K74-S78 PolarHBondContact O-N 2.82Å; Q75-S78 WeakPolarHBondContact O-CB 3.35Å; Q75-S78 PolarHBondContact O-N 3.13Å; S78-Y81 PolarHBondContact O-N 3.22Å; S78-E82 PolarHBondContact O-N 2.87Å
79	V	87.6	Confident	83.2	Confident	82 Å²	82	111 Å²	111	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-70.6	-37	177.5	171.6	0	0	0	0	111.4	Q75 I76 E77 Y81 E82 V83	Q75-V79 WeakPolarHBondContact O-CG2 3.48Å; Q75-V79 PolarHBondContact O-N 3.35Å; I76-V79 PolarHBondContact O-N 3.09Å; E77-V79 PolarHBondContact O-N 3.4Å; V79-Y81 VanDerWaalsContact C-N 3.33Å; V79-E82 PolarHBondContact O-N 3.26Å; V79-V83 HydrophobicContact CG1-CG2 4.46Å; V79-V83 WeakPolarHBondContact O-CB 3.33Å; V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.34Å; V79-V83 PolarHBondContact O-N 2.63Å
80	R	78.6	Confident	83.6	Confident	151 Å²	151	110.1 Å²	110.1	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-59	-45.1	170.9	-76.4	166.2	168.7	-174.7	-1.1	111.2	I76 E77 V83 E84	I76-R80 WeakPolarHBondContact O-CG 3.46Å; I76-R80 PolarHBondContact O-N 2.64Å; E77-R80 PolarHBondContact O-N 2.76Å; E77-R80 WeakPolarHBondContact OE2-CD 3.44Å; E77-R80 IonicContact OE2-CZ 3.45Å; E77-R80 IonicContact OE2-NE 3.04Å; E77-R80 IonicContact OE2-NH1 2.63Å; E77-R80 PolarHBondContact OE2-NH1 3.48Å; R80-V83 PolarHBondContact O-N 3.11Å; R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 PolarHBondContact O-N 3.33Å
81	Y	87.8	Confident	83.4	Confident	132 Å²	132	108 Å²	108	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-41.2	177	-173.2	-99.1	0	0	0	112.6	E77 S78 V79 E84 Q85	E77-Y81 WeakPolarHBondContact O-CB 3.33Å; E77-Y81 PolarHBondContact O-N 2.91Å; S78-Y81 PolarHBondContact O-N 3.22Å; V79-Y81 VanDerWaalsContact C-N 3.33Å; Y81-E84 PolarHBondContact O-N 3.39Å; Y81-Q85 HydrophobicContact CD1-CG 4.03Å; Y81-Q85 HydrophobicContact CE1-CG 3.72Å; Y81-Q85 WeakPolarHBondContact O-CB 3.37Å; Y81-Q85 VanDerWaalsContact O-CG 3.25Å; Y81-Q85 WeakPolarHBondContact O-CG 3.27Å; Y81-Q85 PolarHBondContact O-N 2.89Å; Y81-Q85 PolarHBondContact OH-NE2 2.76Å
82	E	88.8	Confident	82.7	Confident	130 Å²	130	103.3 Å²	103.3	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-63	-41.7	172.5	-75.7	-166	146.8	0	0	112.5	S78 V79 Q85 E86	S78-E82 PolarHBondContact O-N 2.87Å; V79-E82 PolarHBondContact O-N 3.26Å; E82-Q85 WeakPolarHBondContact O-CB 3.36Å; E82-Q85 PolarHBondContact O-N 2.92Å; E82-E86 PolarHBondContact O-N 2.81Å
83	V	87.1	Confident	81.9	Confident	93 Å²	93	105 Å²	105	56%	0.564	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-40.4	175.6	169	0	0	0	0	111.2	V79 R80 E86 Q87	V79-V83 HydrophobicContact CG1-CG2 4.46Å; V79-V83 WeakPolarHBondContact O-CB 3.33Å; V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.34Å; V79-V83 PolarHBondContact O-N 2.63Å; R80-V83 PolarHBondContact O-N 3.11Å; V83-E86 PolarHBondContact O-N 3.43Å; V83-Q87 VanDerWaalsContact O-CB 3.23Å; V83-Q87 WeakPolarHBondContact O-CB 3.29Å; V83-Q87 PolarHBondContact O-N 3.41Å
84	E	88.9	Confident	80.8	Confident	97 Å²	97	106.5 Å²	106.5	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-70.1	-36.5	176.7	-153.5	-155.7	167.6	0	0	112.1	R80 Y81 R88	R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 PolarHBondContact O-N 3.33Å; Y81-E84 PolarHBondContact O-N 3.39Å; E84-R88 VanDerWaalsContact CD-NH1 3.3Å; E84-R88 WeakPolarHBondContact O-CB 3.38Å; E84-R88 WeakPolarHBondContact O-CG 3.48Å; E84-R88 PolarHBondContact O-N 3.26Å; E84-R88 IonicContact OE1-CZ 3.47Å; E84-R88 VanDerWaalsContact OE1-CZ 3.23Å; E84-R88 IonicContact OE1-NH1 2.82Å; E84-R88 PolarHBondContact OE1-NH1 3.34Å; E84-R88 IonicContact OE1-NH2 3.32Å; E84-R88 PolarHBondContact OE1-NH2 3.07Å; E84-R88 IonicContact OE2-CZ 3.7Å; E84-R88 IonicContact OE2-NH1 3.96Å; E84-R88 IonicContact OE2-NH2 2.69Å; E84-R88 PolarHBondContact OE2-NH2 2.84Å
85	Q	82.3	Confident	79.3	Confident	78 Å²	78	102.4 Å²	102.4	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-60.6	-48.8	170	-79.5	-77.8	-3.3	0	0	111.4	Y81 E82 R88 R89	Y81-Q85 HydrophobicContact CD1-CG 4.03Å; Y81-Q85 HydrophobicContact CE1-CG 3.72Å; Y81-Q85 WeakPolarHBondContact O-CB 3.37Å; Y81-Q85 VanDerWaalsContact O-CG 3.25Å; Y81-Q85 WeakPolarHBondContact O-CG 3.27Å; Y81-Q85 PolarHBondContact O-N 2.89Å; Y81-Q85 PolarHBondContact OH-NE2 2.76Å; E82-Q85 WeakPolarHBondContact O-CB 3.36Å; E82-Q85 PolarHBondContact O-N 2.92Å; Q85-R88 CarbonylContact O-C 3.47Å; Q85-R88 WeakPolarHBondContact O-CB 3.15Å; Q85-R88 PolarHBondContact O-N 3.24Å; Q85-R89 WeakPolarHBondContact O-CG 3.36Å; Q85-R89 PolarHBondContact O-N 2.83Å
86	E	83.9	Confident	77.6	Confident	91 Å²	91	100.1 Å²	100.1	43%	0.425	49%	0.485	S	S	.	.	H	α-helix	trans	-70.4	-34.5	179.7	-164.5	58.8	-139	0	0	111.7	E82 V83 R88 R89 L90	E82-E86 PolarHBondContact O-N 2.81Å; V83-E86 PolarHBondContact O-N 3.43Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 3.08Å; E86-R89 CarbonylContact O-C 3.59Å; E86-R89 WeakPolarHBondContact O-CB 3.45Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 VanDerWaalsContact O-N 3.15Å; E86-R89 VanDerWaalsContact OE2-CD 3.31Å; E86-R89 WeakPolarHBondContact OE2-CD 3.25Å; E86-L90 HydrophobicContact CG-CD1 4.47Å; E86-L90 WeakPolarHBondContact O-CB 3.41Å; E86-L90 VanDerWaalsContact O-CG 3.3Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 2.82Å
87	Q	76.8	Confident	75.9	Confident	128 Å²	128	102.8 Å²	102.8	60%	0.598	50%	0.496	S	S	*	.	H	α-helix	trans	-61.4	-39.9	170.5	-166.1	72.5	-0.5	0	0	111.2	V83 S91	V83-Q87 VanDerWaalsContact O-CB 3.23Å; V83-Q87 WeakPolarHBondContact O-CB 3.29Å; V83-Q87 PolarHBondContact O-N 3.41Å; Q87-S91 WeakPolarHBondContact O-CB 3.39Å; Q87-S91 PolarHBondContact O-N 3.16Å
88	R	81.4	Confident	74	Confident	119 Å²	119	100.5 Å²	100.5	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-39.4	170.9	-80.4	-171.1	-83.9	-107.7	-4.1	112.4	E84 Q85 E86 S91 S92	E84-R88 VanDerWaalsContact CD-NH1 3.3Å; E84-R88 WeakPolarHBondContact O-CB 3.38Å; E84-R88 WeakPolarHBondContact O-CG 3.48Å; E84-R88 PolarHBondContact O-N 3.26Å; E84-R88 IonicContact OE1-CZ 3.47Å; E84-R88 VanDerWaalsContact OE1-CZ 3.23Å; E84-R88 IonicContact OE1-NH1 2.82Å; E84-R88 PolarHBondContact OE1-NH1 3.34Å; E84-R88 IonicContact OE1-NH2 3.32Å; E84-R88 PolarHBondContact OE1-NH2 3.07Å; E84-R88 IonicContact OE2-CZ 3.7Å; E84-R88 IonicContact OE2-NH1 3.96Å; E84-R88 IonicContact OE2-NH2 2.69Å; E84-R88 PolarHBondContact OE2-NH2 2.84Å; Q85-R88 CarbonylContact O-C 3.47Å; Q85-R88 WeakPolarHBondContact O-CB 3.15Å; Q85-R88 PolarHBondContact O-N 3.24Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 3.08Å; R88-S91 PolarHBondContact O-N 2.83Å; R88-S92 WeakPolarHBondContact O-CB 3.47Å; R88-S92 PolarHBondContact O-N 2.9Å
89	R	83.8	Confident	71.8	Confident	128 Å²	128	102.1 Å²	102.1	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-50.3	172.3	-69.4	-173.3	77.4	108.6	2.4	111.5	Q85 E86 S91 S92 Y93	Q85-R89 WeakPolarHBondContact O-CG 3.36Å; Q85-R89 PolarHBondContact O-N 2.83Å; E86-R89 CarbonylContact O-C 3.59Å; E86-R89 WeakPolarHBondContact O-CB 3.45Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 VanDerWaalsContact O-N 3.15Å; E86-R89 VanDerWaalsContact OE2-CD 3.31Å; E86-R89 WeakPolarHBondContact OE2-CD 3.25Å; R89-S91 VanDerWaalsContact C-N 3.33Å; R89-S91 PolarHBondContact O-N 3.22Å; R89-S92 CarbonylContact O-C 3.57Å; R89-S92 WeakPolarHBondContact O-CA 3.26Å; R89-S92 PolarHBondContact O-N 3.06Å; R89-S92 VanDerWaalsContact O-N 3.09Å; R89-S92 PolarHBondContact O-OG 2.91Å; R89-Y93 HydrophobicContact CB-CE2 4.43Å; R89-Y93 WeakPolarHBondContact O-CD2 3.46Å; R89-Y93 PolarHBondContact O-N 3.05Å
90	L	76.3	Confident	69.6	Low	91 Å²	91	105.4 Å²	105.4	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-59.2	-42.4	178.1	-70.4	169.9	0	0	0	112.1	E86 Y93 Q94	E86-L90 HydrophobicContact CG-CD1 4.47Å; E86-L90 WeakPolarHBondContact O-CB 3.41Å; E86-L90 VanDerWaalsContact O-CG 3.3Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 2.82Å; L90-Y93 PolarHBondContact O-N 3.02Å; L90-Q94 PolarHBondContact O-N 3.44Å
91	S	72.6	Confident	67.7	Low	64 Å²	64	103 Å²	103	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-46.5	171.7	-177.1	0	0	0	0	111.7	Q87 R88 R89 Y93 Q94 T95	Q87-S91 WeakPolarHBondContact O-CB 3.39Å; Q87-S91 PolarHBondContact O-N 3.16Å; R88-S91 PolarHBondContact O-N 2.83Å; R89-S91 VanDerWaalsContact C-N 3.33Å; R89-S91 PolarHBondContact O-N 3.22Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 PolarHBondContact O-N 3.18Å; S91-Q94 WeakPolarHBondContact O-CA 3.28Å; S91-Q94 WeakPolarHBondContact O-CB 3.49Å; S91-Q94 PolarHBondContact O-N 3.13Å; S91-T95 PolarHBondContact O-N 3.32Å
92	S	67.7	Low	65.5	Low	48 Å²	48	100.7 Å²	100.7	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-28.8	175.4	79.6	0	0	0	0	113.8	R88 R89 T95 N96	R88-S92 WeakPolarHBondContact O-CB 3.47Å; R88-S92 PolarHBondContact O-N 2.9Å; R89-S92 CarbonylContact O-C 3.57Å; R89-S92 WeakPolarHBondContact O-CA 3.26Å; R89-S92 PolarHBondContact O-N 3.06Å; R89-S92 VanDerWaalsContact O-N 3.09Å; R89-S92 PolarHBondContact O-OG 2.91Å; S92-T95 WeakPolarHBondContact CA-OG1 3.21Å; S92-T95 PolarHBondContact O-OG1 3.15Å; S92-T95 VanDerWaalsContact O-OG1 3.08Å; S92-N96 WeakPolarHBondContact O-CB 3.49Å; S92-N96 PolarHBondContact O-N 3.41Å; S92-N96 PolarHBondContact O-ND2 3.5Å
93	Y	66.4	Low	63.1	Low	125 Å²	125	100.9 Å²	100.9	49%	0.49	52%	0.52	S	S	.	.	H	α-helix	trans	-77.1	-23.6	172.4	-77	-63.9	0	0	0	112.7	R89 L90 S91 Q97	R89-Y93 HydrophobicContact CB-CE2 4.43Å; R89-Y93 WeakPolarHBondContact O-CD2 3.46Å; R89-Y93 PolarHBondContact O-N 3.05Å; L90-Y93 PolarHBondContact O-N 3.02Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 PolarHBondContact O-N 3.18Å; Y93-Q97 WeakPolarHBondContact O-CB 3.45Å; Y93-Q97 WeakPolarHBondContact O-CG 3.42Å; Y93-Q97 PolarHBondContact O-N 2.9Å; Y93-Q97 PolarHBondContact O-NE2 3.24Å
94	Q	58	Low	60.3	Low	143 Å²	143	104 Å²	104	67%	0.668	53%	0.526	S	S	*	.	H	α-helix	trans	-74	-47	169.4	-80.6	-175.2	-31	0	0	111.6	L90 S91 Q97 A98	L90-Q94 PolarHBondContact O-N 3.44Å; S91-Q94 WeakPolarHBondContact O-CA 3.28Å; S91-Q94 WeakPolarHBondContact O-CB 3.49Å; S91-Q94 PolarHBondContact O-N 3.13Å; Q94-Q97 PolarHBondContact O-N 2.91Å; Q94-Q97 VanDerWaalsContact O-N 3.08Å; Q94-A98 PolarHBondContact O-N 3.42Å
95	T	54.6	Low	57.4	Low	74 Å²	74	108 Å²	108	45%	0.454	55%	0.549	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175.6	57.5	0	0	0	0	111.4	S91 S92 Q97 A98 D99	S91-T95 PolarHBondContact O-N 3.32Å; S92-T95 WeakPolarHBondContact CA-OG1 3.21Å; S92-T95 PolarHBondContact O-OG1 3.15Å; S92-T95 VanDerWaalsContact O-OG1 3.08Å; T95-Q97 PolarHBondContact O-N 2.85Å; T95-Q97 VanDerWaalsContact O-N 3.13Å; T95-A98 WeakPolarHBondContact O-CB 3.24Å; T95-A98 PolarHBondContact O-N 3.34Å; T95-D99 PolarHBondContact O-N 3.33Å
96	N	49.2	Very low	54.7	Low	75 Å²	75	109.6 Å²	109.6	40%	0.401	57%	0.569	S	S	.	*	H	α-helix	trans	-63.7	-16.3	173.6	-86.6	-92.7	0	0	0	114.5	S92 K100	S92-N96 WeakPolarHBondContact O-CB 3.49Å; S92-N96 PolarHBondContact O-N 3.41Å; S92-N96 PolarHBondContact O-ND2 3.5Å; N96-K100 WeakPolarHBondContact O-CB 3.49Å; N96-K100 WeakPolarHBondContact O-CD 3.36Å; N96-K100 WeakPolarHBondContact O-CE 3.47Å; N96-K100 WeakPolarHBondContact O-CG 3.26Å
97	Q	48.2	Very low	52.1	Low	136 Å²	136	110.1 Å²	110.1	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-87.5	-36.3	169.4	-84.9	-177.4	90	0	0	112.1	Y93 Q94 T95 K100 S101	Y93-Q97 WeakPolarHBondContact O-CB 3.45Å; Y93-Q97 WeakPolarHBondContact O-CG 3.42Å; Y93-Q97 PolarHBondContact O-N 2.9Å; Y93-Q97 PolarHBondContact O-NE2 3.24Å; Q94-Q97 PolarHBondContact O-N 2.91Å; Q94-Q97 VanDerWaalsContact O-N 3.08Å; T95-Q97 PolarHBondContact O-N 2.85Å; T95-Q97 VanDerWaalsContact O-N 3.13Å; Q97-K100 PolarHBondContact O-N 3.14Å; Q97-S101 WeakPolarHBondContact O-CB 3.36Å; Q97-S101 PolarHBondContact O-N 2.93Å
98	A	45	Very low	49.9	Very low	54 Å²	54	113.4 Å²	113.4	45%	0.446	59%	0.591	S	S	.	*	H	α-helix	trans	-57.5	-49.9	170.8	0	0	0	0	0	110.8	Q94 T95 K100 S101 S102	Q94-A98 PolarHBondContact O-N 3.42Å; T95-A98 WeakPolarHBondContact O-CB 3.24Å; T95-A98 PolarHBondContact O-N 3.34Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.43Å; A98-S101 WeakPolarHBondContact O-CB 3.29Å; A98-S101 PolarHBondContact O-N 3.08Å; A98-S101 PolarHBondContact O-OG 3.39Å; A98-S102 PolarHBondContact O-N 2.88Å; A98-S102 VanDerWaalsContact O-N 3.11Å
99	D	43.6	Very low	47.3	Very low	105 Å²	105	116.3 Å²	116.3	56%	0.561	61%	0.607	S	S	*	*	H	α-helix	trans	-69.1	-21.1	179.4	-69.9	-37	0	0	0	114.3	T95 S102	T95-D99 PolarHBondContact O-N 3.33Å; D99-S102 PolarHBondContact O-OG 3.02Å
100	K	41.2	Very low	44.7	Very low	152 Å²	152	117.9 Å²	117.9	66%	0.661	62%	0.62	S	S	*	*	H	α-helix	trans	-84.7	-20.7	170.4	-72.6	170.9	-164.7	162.3	0	112.6	N96 Q97 A98	N96-K100 WeakPolarHBondContact O-CB 3.49Å; N96-K100 WeakPolarHBondContact O-CD 3.36Å; N96-K100 WeakPolarHBondContact O-CE 3.47Å; N96-K100 WeakPolarHBondContact O-CG 3.26Å; Q97-K100 PolarHBondContact O-N 3.14Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.43Å
101	S	38.7	Very low	42.5	Very low	100 Å²	100	118.7 Å²	118.7	70%	0.699	63%	0.628	S	S	*	*	H	α-helix	trans	-80.6	-29.3	174.1	78.7	0	0	0	0	113.1	Q97 A98 N103	Q97-S101 WeakPolarHBondContact O-CB 3.36Å; Q97-S101 PolarHBondContact O-N 2.93Å; A98-S101 WeakPolarHBondContact O-CB 3.29Å; A98-S101 PolarHBondContact O-N 3.08Å; A98-S101 PolarHBondContact O-OG 3.39Å; S101-N103 VanDerWaalsContact C-N 3.34Å
102	S	41.4	Very low	40.5	Very low	83 Å²	83	122.1 Å²	122.1	58%	0.58	64%	0.642	S	S	*	*	S	Bend	trans	-78.7	-13.8	179.8	60.4	0	0	0	0	114.1	A98 D99	A98-S102 PolarHBondContact O-N 2.88Å; A98-S102 VanDerWaalsContact O-N 3.11Å; D99-S102 PolarHBondContact O-OG 3.02Å
103	N	37.3	Very low	38.6	Very low	135 Å²	135	127 Å²	127	72%	0.722	66%	0.663	S	S	*	*	S	Bend	trans	-131	41.9	-160.1	-123.6	-31.4	0	0	0	116.3	S101	S101-N103 VanDerWaalsContact C-N 3.34Å
104	K	29.4	Very low	36.8	Very low	159 Å²	159	125.2 Å²	125.2	69%	0.691	67%	0.669	S	S	*	*			trans	-154.1	91.8	157.8	-140.4	169.8	-170.3	174.2	0	117.5
105	L	26.9	Very low	35.4	Very low	180 Å²	180	129.4 Å²	129.4	94%	0.942	68%	0.681	S	S	*	*	S	Bend	trans	-143.9	50.3	143.7	-157.6	81.1	0	0	0	113.9
106	S	26.8	Very low	34.1	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	69%	0.692	S	S	*	*			trans	-153.7	94.3	153	-164.5	0	0	0	0	112.3
107	T	28	Very low	33	Very low	102 Å²	102	135.2 Å²	135.2	63%	0.626	72%	0.715	S	S	*	*			trans	-139.3	89.7	154.7	50.6	0	0	0	0	108.2
108	K	31.6	Very low	32	Very low	198 Å²	198	133.7 Å²	133.7	86%	0.861	72%	0.72	S	S	*	*			trans	-79.3	144.2	147.4	-88	-163.9	169.4	-163.8	0	108
109	F	27.3	Very low	31.1	Very low	180 Å²	180	136.3 Å²	136.3	79%	0.789	74%	0.735	S	S	*	*			trans	-57	156.6	157.7	-73.5	-109.1	0	0	0	108.3
110	E	29.3	Very low	30.4	Very low	161 Å²	161	135.9 Å²	135.9	75%	0.752	74%	0.74	S	S	*	*			cis	-164.4	151	48.1	-146.6	140	-111.6	0	0	113
111	T	28.7	Very low	29.8	Very low	107 Å²	107	137.8 Å²	137.8	66%	0.656	75%	0.749	S	S	*	*			trans	53.8	127.9	150	46.3	0	0	0	0	123.3
112	N	30.5	Very low	29.3	Very low	137 Å²	137	140 Å²	140	73%	0.733	75%	0.752	S	S	*	*			trans	84.2	114.7	130.7	-64.6	-9.9	0	0	0	122.2
113	L	28.8	Very low	28.7	Very low	149 Å²	149	144.8 Å²	144.8	78%	0.78	77%	0.765	S	S	*	*				54.1	101.8	129.7	-92.3	65.7	0	0	0	120.5
114	S	28.4	Very low	28.4	Very low	89 Å²	89	147.2 Å²	147.2	62%	0.622	77%	0.769	S	S	*	*				74.1	143.5	112.9	77.8	0	0	0	0	120.9
115	Y	29.1	Very low	28.4	Very low	231 Å²	231	144.6 Å²	144.6	91%	0.906	77%	0.771	S	S	*	*			trans	51.8	114.8	166.8	-65	-79.7	0	0	0	117.1
116	G	26.4	Very low	28.6	Very low	67 Å²	67	144.9 Å²	144.9	69%	0.691	77%	0.767	S	S	*	*			cis	120.9	92.1	2	0	0	0	0	0	112.7
117	F	27.2	Very low	29.1	Very low	203 Å²	203	145.4 Å²	145.4	89%	0.89	77%	0.766	S	S	*	*			trans	-148.8	113.3	160.2	-119.9	-94.5	0	0	0	105.3
118	S	25.4	Very low	29.4	Very low	105 Å²	105	148.4 Å²	148.4	73%	0.734	77%	0.772	S	S	*	*				77.8	96.7	52.5	-165.9	0	0	0	0	113.3
119	S	27.2	Very low	29.5	Very low	108 Å²	108	143.9 Å²	143.9	76%	0.755	77%	0.772	S	S	*	*			trans	-154.5	120.4	137	-165.7	0	0	0	0	111.9
120	S	28.8	Very low	30	Very low	96 Å²	96	144 Å²	144	67%	0.671	78%	0.775	S	S	*	*			trans	54.7	87.4	139.2	-48.7	0	0	0	0	120.1
121	K	28	Very low	30.8	Very low	193 Å²	193	144.9 Å²	144.9	84%	0.839	78%	0.777	S	S	*	*				15.3	113.2	128.8	-60.5	-179.7	178.5	-177	0	116.9
122	N	28.1	Very low	31.2	Very low	145 Å²	145	151.3 Å²	151.3	78%	0.775	79%	0.791	S	S	*	*			trans	-112.4	108.6	152.3	-96.8	-71.9	0	0	0	108.9	K124	N122-K124 PolarHBondContact O-N 2.85Å
123	H	29.8	Very low	31.8	Very low	185 Å²	185	150.8 Å²	150.8	86%	0.856	79%	0.792	S	S	*	*			trans	-77.6	101.8	160.5	-81.2	-88.6	0	0	0	107.7
124	K	30.7	Very low	32.2	Very low	185 Å²	185	149.2 Å²	149.2	80%	0.804	79%	0.788	S	S	*	*			trans	-93.2	136.4	166.2	-83.6	-167.9	171.1	-173.8	0	110.1	N122	N122-K124 PolarHBondContact O-N 2.85Å
125	S	29.6	Very low	32.7	Very low	105 Å²	105	151 Å²	151	73%	0.734	79%	0.791	S	S	*	*			trans	-63.8	138	174.9	38.7	0	0	0	0	111.4	V127	S125-V127 PolarHBondContact O-N 3.34Å
126	H	31.3	Very low	33.1	Very low	186 Å²	186	147.3 Å²	147.3	86%	0.861	79%	0.787	S	S	*	*			trans	-85.2	87.9	173.8	-178.4	-78.3	0	0	0	109.5
127	V	36.7	Very low	33.8	Very low	122 Å²	122	148.2 Å²	148.2	74%	0.739	78%	0.783	S	S	*	*			trans	-117.2	141.1	173.9	-179.1	0	0	0	0	108.8	S125	S125-V127 PolarHBondContact O-N 3.34Å
128	Q	34.4	Very low	34.8	Very low	164 Å²	164	148.4 Å²	148.4	77%	0.766	78%	0.783	S	S	*	*			trans	-66	150.6	-165	-66.9	163.1	-28.8	0	0	114
129	A	34.9	Very low	35.3	Very low	104 Å²	104	149.3 Å²	149.3	86%	0.86	79%	0.787	S	S	*	*			trans	-128	97.9	166.7	0	0	0	0	0	110
130	Q	37.5	Very low	35.5	Very low	182 Å²	182	155 Å²	155	85%	0.85	79%	0.791	S	S	*	*			trans	-89.6	136.8	162.8	-67.5	173.8	-40.2	0	0	108.9
131	K	45.3	Very low	35.9	Very low	180 Å²	180	155.6 Å²	155.6	78%	0.783	79%	0.791	S	S	*	*			trans	-161	99.4	154.1	-151.3	170	-172.2	175.8	0	115
132	Y	38	Very low	36.4	Very low	242 Å²	242	153 Å²	153	95%	0.949	79%	0.787	S	S	*	*				-134.9	151.4	127.1	-83	-73	0	0	0	107.8
133	V	41.4	Very low	36.8	Very low	125 Å²	125	154 Å²	154	76%	0.758	79%	0.791	S	S	*	*			trans	-132	134.2	-177.7	174.2	0	0	0	0	107.2
134	V	38.1	Very low	37.3	Very low	116 Å²	116	154.1 Å²	154.1	70%	0.703	79%	0.792	S	S	*	*			trans	-84	134.4	173.8	-179	0	0	0	0	108.9
135	D	38.4	Very low	37.6	Very low	128 Å²	128	155.6 Å²	155.6	68%	0.684	79%	0.794	S	S	*	*			trans	-88.2	125.7	171.4	-167.5	-39.9	0	0	0	109.3	S137	D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 3.03Å; D135-S137 PolarHBondContact OD1-OG 3.06Å
136	N	39	Very low	38.2	Very low	152 Å²	152	156.1 Å²	156.1	81%	0.813	79%	0.788	S	S	*	*			trans	-106.6	48	-173.8	-76.3	-21	0	0	0	112
137	S	40.9	Very low	38.5	Very low	87 Å²	87	152.6 Å²	152.6	61%	0.608	78%	0.782	S	S	*	*			trans	-102.9	103.1	-179.6	46.6	0	0	0	0	113.3	D135 P139	D135-S137 WeakPolarHBondContact OD1-CB 3.48Å; D135-S137 PolarHBondContact OD1-N 3.03Å; D135-S137 PolarHBondContact OD1-OG 3.06Å; S137-P139 WeakPolarHBondContact O-CD 3.5Å
138	K	47.8	Very low	38.7	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	78%	0.784	S	S	*	*			trans	-72.5	130.7	171.9	-75.3	-171.1	176.7	-174.2	0	112.4
139	P	35.5	Very low	38.6	Very low	125 Å²	125	150.9 Å²	150.9	81%	0.812	78%	0.778	S	S	*	*			trans	-83.5	179.7	147.6	33.8	-30.9	0	0	0	111.4	S137	S137-P139 WeakPolarHBondContact O-CD 3.5Å
140	R	31.5	Very low	38.6	Very low	227 Å²	227	153.8 Å²	153.8	86%	0.857	78%	0.78	S	S	*	*			trans	-112	138.7	-162.6	-76.8	178.6	166.5	-179.6	-7.2	115.1
141	T	37.9	Very low	38.3	Very low	109 Å²	109	154.9 Å²	154.9	67%	0.669	78%	0.782	S	S	*	*			trans	42.5	145.9	133.5	77.6	0	0	0	0	122.7
142	D	37.6	Very low	37.8	Very low	139 Å²	139	152 Å²	152	74%	0.743	78%	0.784	S	S	*	*			trans	68.6	112.4	152	-41.5	-39.5	0	0	0	120.3
143	L	37.3	Very low	37.6	Very low	166 Å²	166	144.6 Å²	144.6	87%	0.869	77%	0.773	S	S	*	*				-160.3	157.3	108.4	-102.6	165.7	0	0	0	110.8
144	E	39.6	Very low	37	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	78%	0.777	S	S	*	*			trans	-83.5	160	-163.6	-61.5	144.9	137	0	0	113.8
145	Y	37.5	Very low	36.7	Very low	217 Å²	217	145.4 Å²	145.4	85%	0.851	78%	0.783	S	S	*	*			trans	-122.2	119.2	172	-169.9	-94.7	0	0	0	110.8
146	D	41.9	Very low	36.3	Very low	115 Å²	115	148.1 Å²	148.1	62%	0.615	79%	0.791	S	S	*	*			trans	-85.7	120.9	176.7	178.6	-3.3	0	0	0	110.1	M148	D146-M148 VanDerWaalsContact C-N 3.27Å; D146-M148 PolarHBondContact O-N 3.39Å; D146-M148 WeakPolarHBondContact OD1-CB 3.34Å; D146-M148 PolarHBondContact OD1-N 3.48Å
147	P	36.8	Very low	35.9	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	79%	0.785	S	S	*	*	S	Bend	trans	-75.9	-5.5	-179.4	31.5	-35.5	0	0	0	114.6	S149	P147-S149 PolarHBondContact O-N 3.07Å
148	M	41.2	Very low	35.3	Very low	156 Å²	156	148 Å²	148	77%	0.768	80%	0.801	S	S	*	*			trans	-101.3	50.3	-168.2	-79.6	-72.2	-69.4	0	0	115.2	D146	D146-M148 VanDerWaalsContact C-N 3.27Å; D146-M148 PolarHBondContact O-N 3.39Å; D146-M148 WeakPolarHBondContact OD1-CB 3.34Å; D146-M148 PolarHBondContact OD1-N 3.48Å
149	S	33.2	Very low	34.4	Very low	94 Å²	94	143.4 Å²	143.4	66%	0.657	79%	0.794	S	S	*	*			trans	-158	93.6	166.3	-85.5	0	0	0	0	115.6	P147	P147-S149 PolarHBondContact O-N 3.07Å
150	N	33.8	Very low	34	Very low	165 Å²	165	143.4 Å²	143.4	88%	0.882	80%	0.797	S	S	*	*				171.3	77.4	127.4	-89.2	-45.8	0	0	0	111.9
151	F	32.5	Very low	33.9	Very low	204 Å²	204	138 Å²	138	90%	0.895	80%	0.795	S	S	*	*			trans	-128.7	157.5	160.5	-99	-86.7	0	0	0	109.2
152	S	32.9	Very low	33.5	Very low	120 Å²	120	136 Å²	136	84%	0.839	80%	0.795	S	S	*	*			trans	84.3	136.2	-174.9	-49.4	0	0	0	0	115.4
153	A	33.8	Very low	33.2	Very low	86 Å²	86	139.6 Å²	139.6	71%	0.711	80%	0.804	S	S	*	*			cis	-159.7	160.6	-13.4	0	0	0	0	0	111.2
154	A	30.5	Very low	32.7	Very low	103 Å²	103	141 Å²	141	85%	0.851	81%	0.806	S	S	*	*			trans	-74.7	146.3	156.1	0	0	0	0	0	109.8
155	L	31.1	Very low	32.3	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	80%	0.802	S	S	*	*			trans	-102.9	124.5	-179.3	-72.3	172.2	0	0	0	111.7
156	H	29.2	Very low	32	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.856	80%	0.801	S	S	*	*			trans	-175.3	146.5	139.3	-88.2	-53.4	0	0	0	108.7
157	S	31.2	Very low	31.3	Very low	98 Å²	98	137.9 Å²	137.9	69%	0.685	82%	0.815	S	S	*	*			cis	-178.9	106.3	-26.4	-100.3	0	0	0	0	106.9
158	C	28	Very low	31	Very low	139 Å²	139	144 Å²	144	94%	0.939	82%	0.823	S	S	*	*			trans	-158.6	168.1	167.9	-110.7	0	0	0	0	111.1
159	S	28.5	Very low	31.1	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	82%	0.824	S	S	*	*			trans	-136	140.3	-158.7	-58.3	0	0	0	0	116.1
160	S	28.6	Very low	30.9	Very low	125 Å²	125	144.3 Å²	144.3	87%	0.874	83%	0.827	S	S	*	*			trans	70	154.8	167	85.7	0	0	0	0	115.8
161	S	28.8	Very low	30.8	Very low	114 Å²	114	147 Å²	147	80%	0.797	82%	0.824	S	S	*	*			cis	-152.8	166.5	3.5	83.4	0	0	0	0	112.4
162	G	29.6	Very low	30.7	Very low	65 Å²	65	147.2 Å²	147.2	67%	0.67	83%	0.825	S	S	*	*			trans	100.2	83.1	136.7	0	0	0	0	0	120.7
163	K	31.8	Very low	30.6	Very low	216 Å²	216	147.3 Å²	147.3	94%	0.939	83%	0.826	S	S	*	*			trans	40.3	119.5	143.2	-58.9	174.6	-178.1	173.4	0	119.6
164	E	27.3	Very low	30.5	Very low	194 Å²	194	148.1 Å²	148.1	91%	0.907	83%	0.826	S	S	*	*			trans	-114.8	150.9	154.3	-161.4	-173.3	-119.1	0	0	110.7
165	A	30.2	Very low	30.6	Very low	96 Å²	96	154.1 Å²	154.1	79%	0.793	83%	0.827	S	S	*	*			trans	-137.1	130	173.2	0	0	0	0	0	110.7
166	K	31.7	Very low	30.5	Very low	189 Å²	189	151 Å²	151	82%	0.822	82%	0.818	S	S	*	*			trans	-64.9	151.2	-171.2	-54.9	172.7	-179.7	177.5	0	113.3
167	N	27	Very low	30.4	Very low	169 Å²	169	152.3 Å²	152.3	90%	0.904	82%	0.822	S	S	*	*				-163.6	169.2	108.8	-98.2	-32.4	0	0	0	114.2
168	R	29.7	Very low	30.1	Very low	242 Å²	242	151.1 Å²	151.1	91%	0.913	83%	0.825	S	S	*	*			trans	-93	164.5	-170.5	-101.9	-171.9	171.4	-173.8	-3.4	113.7
169	P	44.4	Very low	30	Very low	121 Å²	121	154.1 Å²	154.1	79%	0.786	83%	0.825	S	S	*	*			trans	-95.1	178.7	-166.6	40	-38.9	0	0	0	114.1
170	D	29.2	Very low	30.1	Very low	134 Å²	134	158.4 Å²	158.4	72%	0.717	83%	0.83	S	S	*	*			trans	-152	157.9	157.3	-169.4	25.4	0	0	0	112.5
171	R	31.1	Very low	30.7	Very low	221 Å²	221	157.8 Å²	157.8	83%	0.834	82%	0.823	S	S	*	*			trans	99	149.6	157.6	-54.4	-156.4	160.5	-152.8	-9.7	121.5
172	K	31.1	Very low	30.7	Very low	210 Å²	210	157 Å²	157	91%	0.913	82%	0.817	S	S	*	*			trans	-116.7	160.5	-166.5	-54.7	177.3	178.1	-174.9	0	110.6
173	S	29.2	Very low	30.7	Very low	121 Å²	121	159.5 Å²	159.5	85%	0.846	82%	0.82	S	S	*	*			trans	-112.4	168.4	163.8	-171.1	0	0	0	0	111.5
174	S	32.6	Very low	30.7	Very low	104 Å²	104	157 Å²	157	73%	0.727	81%	0.811	S	S	*	*			trans	-159	134	162	58.9	0	0	0	0	113.4
175	R	32.5	Very low	30.8	Very low	228 Å²	228	155.8 Å²	155.8	86%	0.86	81%	0.805	S	S	*	*			trans	71.5	96.3	151.2	-72.9	-175.6	175.2	-178.3	-2.2	121.5
176	S	28.3	Very low	30.7	Very low	90 Å²	90	155.8 Å²	155.8	63%	0.629	81%	0.805	S	S	*	*				79.6	147	103.8	71.9	0	0	0	0	123.4
177	F	27.1	Very low	30.6	Very low	213 Å²	213	155.3 Å²	155.3	93%	0.934	81%	0.806	S	S	*	*			trans	78.5	147.4	167.2	-65.6	-76	0	0	0	118
178	G	25	Very low	30.7	Very low	72 Å²	72	154.3 Å²	154.3	74%	0.742	80%	0.798	S	S	*	*			trans	-167.9	-179.5	-175.6	0	0	0	0	0	112.3
179	E	27	Very low	30.5	Very low	203 Å²	203	153.7 Å²	153.7	95%	0.949	80%	0.797	S	S	*	*			trans	-146.9	178.7	-171.9	-96.3	-178.5	149	0	0	113.9
180	K	30.6	Very low	29.9	Very low	200 Å²	200	158.8 Å²	158.8	87%	0.87	80%	0.801	S	S	*	*			trans	-106.6	-165.3	179	-46.4	179.9	-179	179.3	0	109.7
181	P	41.2	Very low	31.2	Very low	112 Å²	112	157.5 Å²	157.5	73%	0.727	80%	0.799	S	S	*	*			cis	-140.4	-168	-10.8	39.6	-18.8	0	0	0	116.1
182	S	28.2	Very low	31	Very low	97 Å²	97	158.6 Å²	158.6	68%	0.678	80%	0.803	S	S	*	*			trans	95	107.4	136.8	71.6	0	0	0	0	124.6
183	T	29.9	Very low	31.1	Very low	118 Å²	118	153.9 Å²	153.9	72%	0.724	80%	0.797	S	S	*	*				48	137.4	126.7	49.7	0	0	0	0	127.5
184	H	31.5	Very low	32.1	Very low	162 Å²	162	153.1 Å²	153.1	75%	0.75	79%	0.789	S	S	*	*			trans	104.1	128.3	131.5	-82.4	-47.9	0	0	0	124.5
185	Q	28.3	Very low	32.1	Very low	170 Å²	170	156.6 Å²	156.6	79%	0.794	79%	0.794	S	S	*	*			trans	78.8	97.6	137.6	-74	-179.8	-21.9	0	0	125.3
186	A	29.7	Very low	31.9	Very low	96 Å²	96	153 Å²	153	79%	0.793	79%	0.79	S	S	*	*				75.6	148.3	99.9	0	0	0	0	0	126.2
187	Q	30.1	Very low	32	Very low	179 Å²	179	155.5 Å²	155.5	84%	0.836	80%	0.796	S	S	*	*			trans	99.3	107.9	150.4	-72.3	-169.7	-17	0	0	124.6
188	M	27.7	Very low	32.1	Very low	148 Å²	148	152.1 Å²	152.1	73%	0.729	79%	0.788	S	S	*	*				62.6	120.2	123	-63.1	-71.1	-176.5	0	0	123.9
189	Y	26.9	Very low	32.4	Very low	228 Å²	228	155.7 Å²	155.7	89%	0.894	79%	0.79	S	S	*	*				178.6	179.7	97.1	-102.7	-72	0	0	0	114.3
190	R	31	Very low	32.6	Very low	229 Å²	229	152.3 Å²	152.3	86%	0.864	78%	0.778	S	S	*	*			trans	-126.7	-172.5	-171.7	-133.7	-172.5	175.5	-167.2	2.5	109
191	P	55.8	Low	32.8	Very low	106 Å²	106	147 Å²	147	69%	0.688	77%	0.766	S	S	*	*			cis	-142.4	-175.1	-14.1	40.3	-20.4	0	0	0	117.2
192	R	28	Very low	32.5	Very low	244 Å²	244	147 Å²	147	92%	0.921	76%	0.764	S	S	*	*			trans	126.2	146	130.4	-148.2	170.3	-163	170.1	3.9	119.2
193	S	32.8	Very low	32.9	Very low	111 Å²	111	150.1 Å²	150.1	78%	0.776	77%	0.768	S	S	*	*			trans	-94.6	-165.9	-175.7	-23.4	0	0	0	0	113.4
194	P	50.1	Low	33.2	Very low	105 Å²	105	150.9 Å²	150.9	68%	0.682	77%	0.767	S	S	*	*			cis	-147.3	172.7	12.7	45.4	-25.2	0	0	0	120.7
195	E	31.9	Very low	33.4	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	77%	0.768	S	S	*	*			trans	51.9	167.3	135.8	-67.6	173.3	166.4	0	0	127
196	I	28.6	Very low	33.8	Very low	151 Å²	151	143.5 Å²	143.5	77%	0.774	76%	0.76	S	S	*	*			trans	81.2	150.3	166.8	-56.2	178.8	0	0	0	115.9
197	L	31.4	Very low	33.9	Very low	144 Å²	144	147 Å²	147	75%	0.754	77%	0.765	S	S	*	*			cis	-179.5	-178.4	-46.1	-111.8	173.6	0	0	0	107.3
198	D	29.1	Very low	34.1	Very low	142 Å²	142	143 Å²	143	76%	0.759	75%	0.752	S	S	*	*			trans	65.5	-179.7	163.9	-47.2	-30.7	0	0	0	118.9
199	D	31.7	Very low	34.4	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	75%	0.754	S	S	*	*				-164	167.2	-67.7	-162.6	14.5	0	0	0	110
200	D	29.3	Very low	34.4	Very low	131 Å²	131	139.1 Å²	139.1	70%	0.701	75%	0.748	S	S	*	*			trans	33.4	120.6	157.9	-125.5	8.5	0	0	0	124.9
201	S	35.2	Very low	34.7	Very low	88 Å²	88	133.6 Å²	133.6	62%	0.615	74%	0.74	S	S	*	*				81.6	136.5	124.2	96.6	0	0	0	0	125.9
202	T	35.7	Very low	33.3	Very low	112 Å²	112	134.2 Å²	134.2	69%	0.687	75%	0.746	S	S	*	*			trans	67.9	162.8	138.2	-2.7	0	0	0	0	125.2
203	E	36.6	Very low	33.6	Very low	164 Å²	164	130.4 Å²	130.4	77%	0.766	74%	0.743	S	S	*	*			trans	67.4	149.3	171.5	-46	-52.8	120.5	0	0	119.9
204	D	36.6	Very low	33.7	Very low	133 Å²	133	130.4 Å²	130.4	71%	0.711	74%	0.744	S	S	*	*			cis	-155.4	166.7	-48	-171.1	21.4	0	0	0	108.1
205	G	35.4	Very low	33.8	Very low	74 Å²	74	131.4 Å²	131.4	76%	0.763	75%	0.75	S	S	*	*			trans	-161.6	31.3	-171.8	0	0	0	0	0	117.9
206	V	36.5	Very low	34.1	Very low	104 Å²	104	129.2 Å²	129.2	63%	0.63	74%	0.744	S	S	*	*			trans	-101	111.2	-175	-179.9	0	0	0	0	113.9	V208	V206-V208 HydrophobicContact CG1-CG2 3.96Å
207	L	32.7	Very low	34.5	Very low	169 Å²	169	130.1 Å²	130.1	89%	0.885	74%	0.742	S	S	*	*			trans	-155.8	153.9	150.6	-78.2	-172	0	0	0	111.9
208	V	33.3	Very low	34.6	Very low	96 Å²	96	129.1 Å²	129.1	58%	0.582	74%	0.743	S	S	*	*				-176.3	128.4	-57.3	137.3	0	0	0	0	110.3	V206	V206-V208 HydrophobicContact CG1-CG2 3.96Å
209	I	33.4	Very low	34.8	Very low	149 Å²	149	129 Å²	129	76%	0.764	74%	0.741	S	S	*	*			trans	67.1	153.8	155.7	-71.7	175.9	0	0	0	115.8
210	D	27.3	Very low	34.6	Very low	145 Å²	145	128.8 Å²	128.8	78%	0.775	74%	0.74	S	S	*	*			cis	-140.2	-179.8	23.1	-143.6	-22.3	0	0	0	116.2
211	V	37.6	Very low	34.6	Very low	112 Å²	112	130.9 Å²	130.9	68%	0.679	75%	0.746	S	S	*	*			trans	-94.1	159.1	-172.6	177.7	0	0	0	0	113.2
212	S	26.6	Very low	34.2	Very low	119 Å²	119	131.9 Å²	131.9	83%	0.832	75%	0.748	S	S	*	*			trans	-153.3	147	147.6	-84.1	0	0	0	0	113.3
213	L	33.2	Very low	33.9	Very low	164 Å²	164	134.6 Å²	134.6	86%	0.859	75%	0.753	S	S	*	*			trans	-116.4	178.3	175.5	-85.2	166.5	0	0	0	110.9
214	S	35.4	Very low	33.5	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	75%	0.749	S	S	*	*			trans	-62.2	153.7	-174.4	-48	0	0	0	0	116
215	P	51.9	Low	32.8	Very low	126 Å²	126	132.8 Å²	132.8	82%	0.818	75%	0.748	S	S	*	*			trans	-102.2	175.8	166.5	38.5	-33.7	0	0	0	113.8
216	D	38	Very low	32.4	Very low	131 Å²	131	134 Å²	134	70%	0.701	75%	0.751	S	S	*	*			cis	166.7	147.3	-27.9	-159.1	22.7	0	0	0	106.1
217	K	37.5	Very low	31.7	Very low	170 Å²	170	136 Å²	136	74%	0.739	76%	0.758	S	S	*	*			cis	-121.3	-144.8	5.3	-73.7	177.9	179.8	-175.3	0	109.2
218	T	34.2	Very low	31.4	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	75%	0.749	S	S	*	*			cis	-159.4	175.2	13	63	0	0	0	0	108.2
219	L	32.3	Very low	31.1	Very low	139 Å²	139	131.2 Å²	131.2	73%	0.728	75%	0.753	S	S	*	*			cis	-156.5	154.8	-4.6	-151.6	72.7	0	0	0	110.3
220	D	28.1	Very low	30.9	Very low	143 Å²	143	133.8 Å²	133.8	77%	0.765	76%	0.759	S	S	*	*			trans	44.4	152.3	147.9	-84.3	-35.5	0	0	0	127.2
221	Q	29.1	Very low	30.9	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	75%	0.753	S	S	*	*			trans	80.3	95	160.2	-76.7	-167.7	-6.7	0	0	123.6
222	T	26.5	Very low	30.7	Very low	110 Å²	110	130.5 Å²	130.5	68%	0.675	75%	0.752	S	S	*	*				42.7	122.9	121.1	50.5	0	0	0	0	124.6
223	Q	29.3	Very low	30.9	Very low	169 Å²	169	132.7 Å²	132.7	79%	0.79	75%	0.749	S	S	*	*				82.3	139.1	127.9	-74.1	-174.1	-17.2	0	0	124.5
224	H	28	Very low	30.9	Very low	147 Å²	147	132 Å²	132	68%	0.681	75%	0.746	S	S	*	*			trans	77.3	108.1	141.9	-93.3	-82.5	0	0	0	125.2
225	T	23.1	Very low	30.5	Very low	112 Å²	112	132.6 Å²	132.6	69%	0.687	75%	0.745	S	S	*	*				43.1	113.4	128.8	58	0	0	0	0	124.1
226	A	25.8	Very low	29.6	Very low	99 Å²	99	133.3 Å²	133.3	82%	0.818	74%	0.738	S	S	*	*				45	122.5	116.9	0	0	0	0	0	123.9
227	D	22.8	Very low	29.6	Very low	146 Å²	146	136 Å²	136	78%	0.781	74%	0.738	S	S	*	*				-166	151.2	121.4	-120.1	-26.6	0	0	0	106.8
228	S	25.1	Very low	29.5	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	73%	0.732	S	S	*	*			cis	73	125.1	34.3	131.1	0	0	0	0	114.9
229	G	27.1	Very low	29.5	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	72%	0.724	S	S	*	*			cis	171.3	-158.8	-6.2	0	0	0	0	0	112.3
230	K	30.3	Very low	29.5	Very low	204 Å²	204	133.8 Å²	133.8	89%	0.887	72%	0.722	S	S	*	*			trans	74.5	151.5	161.3	-65.1	166.3	-175.2	167.1	0	116.7
231	S	27.3	Very low	29.8	Very low	93 Å²	93	133.4 Å²	133.4	65%	0.65	72%	0.716	S	S	*	*			cis	-170.7	141.2	-4.8	146	0	0	0	0	113.8
232	S	33.3	Very low	29.9	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	71%	0.706	S	S	*	*			trans	65	158.7	146.1	-60.4	0	0	0	0	120.2
233	Q	30.8	Very low	30	Very low	165 Å²	165	133.9 Å²	133.9	77%	0.771	71%	0.71	S	S	*	*			cis	-159.1	134.6	-10.9	-108.6	163.5	-4	0	0	105.8
234	N	32.5	Very low	30.1	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	71%	0.71	S	S	*	*				88.3	113.6	66.2	-78	11.7	0	0	0	116.6
235	T	28.1	Very low	30.2	Very low	125 Å²	125	130.1 Å²	130.1	77%	0.767	72%	0.719	S	S	*	*			trans	-151.2	114.1	131.3	40.9	0	0	0	0	106.7
236	E	33.2	Very low	30.4	Very low	141 Å²	141	131.8 Å²	131.8	66%	0.659	72%	0.723	S	S	*	*				62.7	132.6	93.7	-62.9	-171.2	165.1	0	0	114
237	R	36.9	Very low	30.5	Very low	187 Å²	187	134.4 Å²	134.4	71%	0.706	73%	0.729	S	S	*	*			cis	-162	172.7	0.1	-117.8	-169.7	-152.3	83	20.7	108.4
238	D	36.2	Very low	30.6	Very low	115 Å²	115	137.2 Å²	137.2	62%	0.615	73%	0.73	S	S	*	*			cis	-139.3	-106.5	0.8	-165.1	66.4	0	0	0	112.9
239	L	34.1	Very low	30.8	Very low	112 Å²	112	138.8 Å²	138.8	59%	0.586	73%	0.73	S	S	*	*			trans	-144.9	-177.5	-162.2	-63.2	168.7	0	0	0	111.3
240	K	31.3	Very low	30.7	Very low	160 Å²	160	142.1 Å²	142.1	70%	0.696	73%	0.732	S	S	*	*			cis	-146.8	163.3	12.4	-126.1	126.7	-167.9	158.7	0	109.6
241	E	34.2	Very low	30.6	Very low	135 Å²	135	141.1 Å²	141.1	63%	0.631	73%	0.728	S	S	*	*			cis	82.3	132.6	27.4	-112.1	-158.1	145.3	0	0	114.4
242	I	32.9	Very low	30.6	Very low	118 Å²	118	145 Å²	145	61%	0.605	74%	0.736	S	S	*	*			cis	-158	150.2	40	-107.7	174.4	0	0	0	115
243	K	27.7	Very low	31.3	Very low	175 Å²	175	145.5 Å²	145.5	76%	0.761	74%	0.737	S	S	*	*			trans	35.1	114.1	151.4	-56.1	168.6	-168.2	169.6	0	125.8
244	A	31	Very low	30.9	Very low	95 Å²	95	146.8 Å²	146.8	79%	0.785	74%	0.743	S	S	*	*				18.4	149.5	112.8	0	0	0	0	0	125.7
245	V	29.5	Very low	30.5	Very low	142 Å²	142	147.1 Å²	147.1	86%	0.861	74%	0.742	S	S	*	*			trans	149.7	151.7	130.3	169.3	0	0	0	0	113.7
246	N	28.1	Very low	30.5	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	75%	0.748	S	S	*	*			trans	-75	170.5	-169.9	-52.7	-18.9	0	0	0	117
247	V	27.4	Very low	30.1	Very low	153 Å²	153	149.8 Å²	149.8	93%	0.927	75%	0.752	S	S	*	*				-172.9	-174.4	119.9	145.9	0	0	0	0	111.5
248	Y	26.1	Very low	29.6	Very low	206 Å²	206	147.4 Å²	147.4	81%	0.808	76%	0.759	S	S	*	*			trans	-122.1	170.9	-147.3	-136.3	-138.2	0	0	0	114.4
249	L	29.8	Very low	29.1	Very low	131 Å²	131	150.6 Å²	150.6	69%	0.686	77%	0.768	S	S	*	*			trans	80.7	112	155.2	-67.9	163	0	0	0	124.1
250	D	24.4	Very low	28.6	Very low	135 Å²	135	152 Å²	152	72%	0.722	78%	0.781	S	S	*	*				76	171.5	111.3	-139.8	-4.7	0	0	0	123.5
251	F	27.1	Very low	28.4	Very low	184 Å²	184	149.4 Å²	149.4	81%	0.807	78%	0.777	S	S	*	*			trans	102.7	113.6	166	-66.1	-76.8	0	0	0	121.8
252	Q	28	Very low	28	Very low	173 Å²	173	150.4 Å²	150.4	81%	0.808	79%	0.787	S	S	*	*			trans	-111.5	179.9	134	-88.8	-161.4	7.8	0	0	107.9
253	P	47.1	Very low	27.7	Very low	106 Å²	106	149.9 Å²	149.9	69%	0.688	80%	0.801	S	S	*	*			cis	-125.5	-171.3	-22.7	35	-17.6	0	0	0	111.7
254	Q	24.2	Very low	27.7	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	81%	0.805	S	S	*	*				177.6	175.5	123.9	-99	-168.7	16.1	0	0	114.8
255	M	24.3	Very low	27.5	Very low	155 Å²	155	147.3 Å²	147.3	76%	0.764	81%	0.805	S	S	*	*			trans	-109.5	158.5	-172	-53.3	161	62.5	0	0	112.6
256	V	26.4	Very low	27.4	Very low	148 Å²	148	145.2 Å²	145.2	90%	0.897	80%	0.796	S	S	*	*			trans	-139.2	143.7	159.3	-176.9	0	0	0	0	110.8
257	K	25.5	Very low	27.4	Very low	174 Å²	174	145.5 Å²	145.5	76%	0.757	80%	0.797	S	S	*	*			trans	-117.6	158.2	170	-67.3	175.4	177.6	172.8	0	110
258	T	25.5	Very low	27.4	Very low	137 Å²	137	145.6 Å²	145.6	84%	0.84	79%	0.793	S	S	*	*				147.3	154.5	124.5	-59.5	0	0	0	0	114.8
259	K	26.2	Very low	27.6	Very low	183 Å²	183	139.9 Å²	139.9	80%	0.796	79%	0.788	S	S	*	*			trans	-76.1	162	-170.4	-44.5	162.6	178.7	175.3	0	115.4
260	V	24.2	Very low	27.7	Very low	142 Å²	142	141.1 Å²	141.1	86%	0.861	80%	0.795	S	S	*	*			trans	-171.9	148.4	131	165	0	0	0	0	105.7
261	V	26.2	Very low	27.8	Very low	104 Å²	104	144.2 Å²	144.2	63%	0.63	80%	0.802	S	S	*	*			cis	164.2	129.1	-33.5	148.2	0	0	0	0	106.8
262	N	26.7	Very low	28	Very low	157 Å²	157	141.7 Å²	141.7	84%	0.84	80%	0.802	S	S	*	*			trans	48.9	128.5	159.9	-61.8	2.6	0	0	0	124.3
263	A	27.1	Very low	28.3	Very low	107 Å²	107	139.1 Å²	139.1	88%	0.884	80%	0.8	S	S	*	*				-166.2	167.2	125.1	0	0	0	0	0	110.4
264	A	27.2	Very low	27.5	Very low	103 Å²	103	142.3 Å²	142.3	85%	0.851	81%	0.805	S	S	*	*			trans	-149.2	158.9	-172.7	0	0	0	0	0	114.7
265	S	26.6	Very low	27.6	Very low	112 Å²	112	141 Å²	141	78%	0.783	80%	0.803	S	S	*	*			trans	-166.9	123.5	158.7	60.5	0	0	0	0	115.1
266	C	27.4	Very low	27.8	Very low	99 Å²	99	142.1 Å²	142.1	67%	0.669	81%	0.806	S	S	*	*			trans	16	135	149.5	58.1	0	0	0	0	124.5
267	D	28.8	Very low	28.5	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	80%	0.797	S	S	*	*				60	159.9	128.6	-41.7	-25.1	0	0	0	120
268	D	27.5	Very low	28.6	Very low	156 Å²	156	138.2 Å²	138.2	83%	0.834	80%	0.799	S	S	*	*			cis	-158.9	171.2	15.1	-156.5	-9.4	0	0	0	113
269	A	28.7	Very low	28.6	Very low	86 Å²	86	136.8 Å²	136.8	71%	0.711	79%	0.794	S	S	*	*			trans	65.8	126.8	150.3	0	0	0	0	0	124.5
270	D	31.8	Very low	28.7	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	79%	0.786	S	S	*	*			trans	-70.2	150	158.1	-67.8	-74.3	0	0	0	113.7
271	K	26.7	Very low	28.8	Very low	201 Å²	201	131.4 Å²	131.4	87%	0.874	78%	0.781	S	S	*	*				177.4	148.5	111.8	-100.5	172.1	-178.9	174.6	0	116.7
272	V	31.1	Very low	28.9	Very low	131 Å²	131	133.2 Å²	133.2	79%	0.794	79%	0.787	S	S	*	*			trans	-98.7	137.3	161.9	169.6	0	0	0	0	108.4
273	P	35.8	Very low	29.1	Very low	119 Å²	119	130.8 Å²	130.8	77%	0.773	77%	0.773	S	S	*	*				-143.6	155.8	109.4	37.2	-22.2	0	0	0	115.4
274	E	30.5	Very low	29.2	Very low	172 Å²	172	133.3 Å²	133.3	80%	0.804	76%	0.764	S	S	*	*			trans	-71.3	162.5	165.1	-58.5	174.9	101.2	0	0	112.2
275	I	25.3	Very low	29.2	Very low	165 Å²	165	134.2 Å²	134.2	85%	0.846	76%	0.759	S	S	*	*			trans	-173.5	133.5	133.7	-97.7	152.2	0	0	0	110.1
276	H	29.6	Very low	29.5	Very low	180 Å²	180	136 Å²	136	83%	0.833	76%	0.756	S	S	*	*			trans	-93.3	151.9	166.3	-79.6	-69.3	0	0	0	110.8
277	P	40.3	Very low	29.4	Very low	110 Å²	110	137 Å²	137	71%	0.714	75%	0.754	S	S	*	*				-149.3	124.6	120.4	31.7	-12.7	0	0	0	117.3
278	V	26.5	Very low	29.3	Very low	130 Å²	130	134.9 Å²	134.9	79%	0.788	75%	0.75	S	S	*	*				52.8	139.1	114.3	177.9	0	0	0	0	122.3
279	S	27.5	Very low	29.7	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	74%	0.743	S	S	*	*			trans	80	152.2	159.7	-79.2	0	0	0	0	119.7
280	S	26.4	Very low	29.8	Very low	88 Å²	88	134.8 Å²	134.8	62%	0.615	75%	0.746	S	S	*	*			cis	-171.9	162.3	-17.3	52.3	0	0	0	0	112.7
281	T	27.2	Very low	30	Very low	125 Å²	125	133.7 Å²	133.7	77%	0.767	74%	0.739	S	S	*	*			trans	60.9	157.2	151	44.4	0	0	0	0	120.3
282	L	29.2	Very low	30.4	Very low	142 Å²	142	130.6 Å²	130.6	74%	0.743	73%	0.728	S	S	*	*			cis	-163.9	154.7	-30.2	-159.9	82.2	0	0	0	109.4
283	D	29.7	Very low	30.5	Very low	105 Å²	105	133.1 Å²	133.1	56%	0.561	72%	0.723	S	S	*	*			trans	60.7	120.2	148.8	-88.1	3.5	0	0	0	125.7
284	K	30.1	Very low	30.3	Very low	160 Å²	160	133.7 Å²	133.7	70%	0.696	72%	0.72	S	S	*	*				89.1	136.5	121.4	-75.5	172.2	-177	144.7	0	125
285	T	27.4	Very low	30.3	Very low	122 Å²	122	131.4 Å²	131.4	75%	0.748	72%	0.717	S	S	*	*			trans	67.9	148.3	144.1	49.1	0	0	0	0	120
286	Q	32.4	Very low	30.8	Very low	151 Å²	151	129.6 Å²	129.6	71%	0.706	71%	0.714	S	S	*	*			cis	-172.7	163.9	-12.2	162.9	168.7	-24.4	0	0	111.1
287	D	24.6	Very low	31.2	Very low	119 Å²	119	127.5 Å²	127.5	64%	0.636	71%	0.709	S	S	*	*			trans	65.9	99.1	161.9	-67.9	-21.2	0	0	0	123.5
288	C	27.9	Very low	30.9	Very low	108 Å²	108	129.5 Å²	129.5	73%	0.73	71%	0.713	S	S	*	*				48.5	122.9	101.2	-59.6	0	0	0	0	123.2
289	S	35	Very low	31	Very low	99 Å²	99	129 Å²	129	69%	0.692	71%	0.71	S	S	*	*				122.3	146.7	112.2	72.7	0	0	0	0	120.8
290	N	30.6	Very low	31	Very low	142 Å²	142	126.4 Å²	126.4	76%	0.759	70%	0.7	S	S	*	*			trans	72	152	153.6	-61.9	0.4	0	0	0	121.3
291	D	35.5	Very low	31	Very low	132 Å²	132	128.2 Å²	128.2	71%	0.706	71%	0.711	S	S	*	*			cis	-169.7	165	-39.9	-134.2	-36	0	0	0	112.5
292	E	35.8	Very low	31.5	Very low	136 Å²	136	128.7 Å²	128.7	64%	0.636	71%	0.708	S	S	*	*			trans	61.4	168.1	156.1	-68.6	-166.2	134.7	0	0	119.7
293	R	32.4	Very low	32.1	Very low	184 Å²	184	128.4 Å²	128.4	69%	0.694	70%	0.703	S	S	*	*			cis	-155.6	158.8	8.9	-145.5	176.9	-82	150.3	-0.4	114.8
294	N	32.3	Very low	32.1	Very low	132 Å²	132	132.4 Å²	132.4	71%	0.706	72%	0.718	S	S	*	*			trans	64.9	127	157.1	-69.3	-19.1	0	0	0	120.3
295	V	30.5	Very low	32.2	Very low	123 Å²	123	130.2 Å²	130.2	75%	0.745	71%	0.714	S	S	*	*			cis	98.5	153.7	15.8	-174	0	0	0	0	115.2
296	V	35.2	Very low	32.6	Very low	127 Å²	127	130 Å²	130	77%	0.77	70%	0.704	S	S	*	*			trans	83.6	90.6	-169.9	-169.6	0	0	0	0	111.6
297	D	38.7	Very low	32.7	Very low	136 Å²	136	131.5 Å²	131.5	73%	0.727	70%	0.704	S	S	*	*			cis	69.9	158.4	24.8	-164.3	31.8	0	0	0	115.1
298	L	33.3	Very low	32.9	Very low	153 Å²	153	134 Å²	134	80%	0.801	71%	0.711	S	S	*	*			trans	92.7	116.8	-148.9	-64.1	170.1	0	0	0	111.7
299	T	29.6	Very low	32.9	Very low	120 Å²	120	134.6 Å²	134.6	74%	0.736	72%	0.715	S	S	*	*			cis	-151.8	139.2	-4.5	-51.3	0	0	0	0	105.3
300	G	27.1	Very low	32.5	Very low	51 Å²	51	137.7 Å²	137.7	53%	0.526	72%	0.719	S	S	.	*			cis	115.5	134	19.6	0	0	0	0	0	109.6
301	C	26	Very low	32.4	Very low	125 Å²	125	136.6 Å²	136.6	85%	0.845	71%	0.713	S	S	*	*			trans	64.2	151.7	152.2	-48.9	0	0	0	0	117.5
302	L	37.7	Very low	32	Very low	135 Å²	135	136.8 Å²	136.8	71%	0.707	72%	0.719	S	S	*	*			cis	-125.9	152.4	29.2	-99.8	70.4	0	0	0	113.7
303	E	41.9	Very low	31.5	Very low	137 Å²	137	133.9 Å²	133.9	64%	0.64	73%	0.726	S	S	*	*			trans	49.8	84.3	142.6	-62.3	165.4	-166.2	0	0	115.4	L305	E303-L305 HydrophobicContact CB-CD1 4.06Å; E303-L305 HydrophobicContact CB-CG 3.87Å; E303-L305 HydrophobicContact CG-CD1 3.82Å; E303-L305 HydrophobicContact CG-CG 3.9Å
304	E	29.9	Very low	31.2	Very low	188 Å²	188	134.1 Å²	134.1	88%	0.879	73%	0.732	S	S	*	*				6.1	82.1	62.8	-166.1	168.5	-147.8	0	0	115.6
305	L	33.1	Very low	30.9	Very low	115 Å²	115	135.6 Å²	135.6	60%	0.602	74%	0.735	S	S	*	*			trans	-144.8	133.9	158.9	-70.5	176.9	0	0	0	109.5	E303	E303-L305 HydrophobicContact CB-CD1 4.06Å; E303-L305 HydrophobicContact CB-CG 3.87Å; E303-L305 HydrophobicContact CG-CD1 3.82Å; E303-L305 HydrophobicContact CG-CG 3.9Å
306	E	34.6	Very low	30.7	Very low	117 Å²	117	134.5 Å²	134.5	55%	0.547	73%	0.732	S	S	.	*			cis	-168	176	-20.8	-132.2	-178.4	-170.9	0	0	109.9
307	R	33.9	Very low	31.3	Very low	183 Å²	183	133.9 Å²	133.9	69%	0.691	73%	0.731	S	S	*	*			trans	21.7	148.1	145.7	-74.2	-176.6	-74.7	-157	-3.1	121
308	E	30.4	Very low	30.8	Very low	171 Å²	171	134.5 Å²	134.5	80%	0.799	73%	0.73	S	S	*	*			cis	-149.3	150.2	33.7	-156.1	152.7	-116.6	0	0	114
309	C	27.3	Very low	30.5	Very low	121 Å²	121	137.9 Å²	137.9	82%	0.818	73%	0.732	S	S	*	*			trans	-151.1	137.8	176.3	-178	0	0	0	0	108.6
310	E	26.8	Very low	30.6	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.762	74%	0.739	S	S	*	*			trans	-129.6	128.8	166.9	-87	-143.7	157.5	0	0	111.1
311	N	28.6	Very low	30.7	Very low	120 Å²	120	149.3 Å²	149.3	64%	0.642	76%	0.757	S	S	*	*			trans	63.4	132.4	144.5	-60.5	-41.2	0	0	0	118.6
312	T	27	Very low	30.5	Very low	135 Å²	135	153.1 Å²	153.1	83%	0.828	76%	0.759	S	S	*	*			cis	-164.3	162.5	4	3.2	0	0	0	0	111.2
313	G	26	Very low	30	Very low	75 Å²	75	158 Å²	158	77%	0.773	77%	0.768	S	S	*	*			trans	104.3	125.5	153.8	0	0	0	0	0	116
314	F	25.5	Very low	29.3	Very low	190 Å²	190	157.7 Å²	157.7	83%	0.833	78%	0.776	S	S	*	*			trans	-143.7	144.8	-172.5	-137.7	-107.6	0	0	0	111.8
315	Q	25.8	Very low	29.5	Very low	162 Å²	162	157 Å²	157	76%	0.757	77%	0.773	S	S	*	*			trans	63.8	162.8	164.7	-84.2	174.6	20.9	0	0	117.8
316	S	26.6	Very low	29.6	Very low	100 Å²	100	157.8 Å²	157.8	70%	0.699	79%	0.785	S	S	*	*			cis	-146.8	177.9	5.9	-125	0	0	0	0	112.2
317	P	47.3	Very low	29.1	Very low	115 Å²	115	155.9 Å²	155.9	75%	0.747	80%	0.796	S	S	*	*			trans	-110.6	-178.8	-158.2	42.3	-38.6	0	0	0	118.3
318	E	28	Very low	28.7	Very low	149 Å²	149	150.9 Å²	150.9	70%	0.696	80%	0.801	S	S	*	*			trans	116.8	147.7	138.7	-135.9	-167.9	-115.6	0	0	120.5
319	R	28.3	Very low	28.4	Very low	224 Å²	224	152.9 Å²	152.9	85%	0.845	81%	0.808	S	S	*	*			trans	90.5	144.1	160.3	-58.7	-170.3	179.4	-161.9	-6	121.2
320	K	30.1	Very low	28.2	Very low	203 Å²	203	152.6 Å²	152.6	88%	0.883	81%	0.807	S	S	*	*			trans	-119.1	144.7	177	-57	171.6	179.2	175.3	0	109
321	K	29.2	Very low	28.4	Very low	208 Å²	208	154.3 Å²	154.3	90%	0.904	81%	0.813	S	S	*	*				170.9	149.7	122.9	-98.5	171	-179.6	176	0	115.6
322	K	22.5	Very low	28.7	Very low	204 Å²	204	154 Å²	154	89%	0.887	82%	0.817	S	S	*	*			trans	76.1	172.3	154.1	-108.1	-174.5	176.5	-170.3	0	119.4
323	W	27.8	Very low	28.6	Very low	239 Å²	239	152 Å²	152	91%	0.905	81%	0.809	S	S	*	*			trans	-136.3	168.7	-149.7	-93.4	38.2	0	0	0	111.8
324	T	26.1	Very low	28.5	Very low	129 Å²	129	155.5 Å²	155.5	79%	0.791	81%	0.809	S	S	*	*			trans	83.5	151.1	155.6	-14.5	0	0	0	0	118.8
325	E	35.2	Very low	28.7	Very low	175 Å²	175	155 Å²	155	82%	0.818	81%	0.81	S	S	*	*			trans	-76.3	176.1	-167.4	-50	179.7	155.2	0	0	114.5
326	P	35.3	Very low	29.7	Very low	131 Å²	131	152 Å²	152	85%	0.851	81%	0.805	S	S	*	*				-139.2	156.4	99.9	38.8	-28.1	0	0	0	115.2
327	G	23.1	Very low	30.5	Very low	76 Å²	76	152 Å²	152	78%	0.784	80%	0.804	S	S	*	*			trans	-93.5	170.7	173.3	0	0	0	0	0	114.8
328	G	25.2	Very low	29.5	Very low	78 Å²	78	153.9 Å²	153.9	80%	0.804	81%	0.808	S	S	*	*			trans	-160.3	117.4	179.5	0	0	0	0	0	113.7
329	F	24.2	Very low	29.6	Very low	213 Å²	213	153.2 Å²	153.2	93%	0.934	81%	0.809	S	S	*	*			trans	-60.2	148	-171.7	-68.4	-102.2	0	0	0	117.4
330	S	24	Very low	29.6	Very low	116 Å²	116	149.5 Å²	149.5	81%	0.811	81%	0.805	S	S	*	*			trans	-162.2	131.9	131	62.4	0	0	0	0	112.9
331	F	31	Very low	29.5	Very low	199 Å²	199	147.2 Å²	147.2	87%	0.873	80%	0.799	S	S	*	*			trans	-115.3	153.7	157.3	-86	-77.4	0	0	0	107.9
332	P	35.7	Very low	29.6	Very low	114 Å²	114	144 Å²	144	74%	0.74	79%	0.787	S	S	*	*				-149.8	175.1	103.9	40	-24.4	0	0	0	116.1
333	S	23.4	Very low	29.9	Very low	92 Å²	92	143 Å²	143	64%	0.643	79%	0.785	S	S	*	*			trans	77.6	117.5	146.5	-81	0	0	0	0	122.9
334	D	24.7	Very low	30.1	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	77%	0.769	S	S	*	*				78.7	102.9	117.8	-52	-28.1	0	0	0	122.6
335	Q	29.1	Very low	30.2	Very low	181 Å²	181	138.3 Å²	138.3	85%	0.846	77%	0.765	S	S	*	*			trans	-58.5	172	137.3	-83.9	-169.8	13.6	0	0	112.7
336	P	47.6	Very low	29.9	Very low	99 Å²	99	138.5 Å²	138.5	64%	0.643	76%	0.763	S	S	*	*			cis	-138.6	173.8	-27.8	36	-18.1	0	0	0	114.3
337	S	42.3	Very low	29.5	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	76%	0.756	S	S	*	*			trans	35.1	120.7	145.2	64.8	0	0	0	0	121.3
338	N	27.5	Very low	29.8	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	76%	0.756	S	S	*	*			trans	-168.1	175	140	-114.9	-57.6	0	0	0	114.8
339	L	28.5	Very low	30	Very low	135 Å²	135	145.2 Å²	145.2	71%	0.707	75%	0.754	S	S	*	*			trans	84.2	115	162.4	-62.5	115.6	0	0	0	121.2
340	L	28.6	Very low	30	Very low	146 Å²	146	143.5 Å²	143.5	76%	0.764	75%	0.746	S	S	*	*			trans	73.2	155.1	134.4	-83.3	38.7	0	0	0	120.3
341	M	29.6	Very low	30.1	Very low	155 Å²	155	144.1 Å²	144.1	76%	0.764	74%	0.74	S	S	*	*			cis	-178.1	102.9	-26.4	169.5	167.1	-177.6	0	0	106.7
342	E	30.3	Very low	29.7	Very low	140 Å²	140	141.9 Å²	141.9	65%	0.654	74%	0.736	S	S	*	*				45.4	104.7	95.7	-157.6	-163.8	163.7	0	0	116	Y345	E342-Y345 PolarHBondContact OE1-N 3.11Å
343	Q	28.7	Very low	29.1	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	74%	0.739	S	S	*	*			trans	-127.2	129.7	134.6	-71.3	-167.1	-0.8	0	0	107.3
344	T	32.8	Very low	29.1	Very low	91 Å²	91	145 Å²	145	56%	0.558	74%	0.737	S	S	*	*			cis	-162.3	155.8	-3	1.1	0	0	0	0	112.8
345	Y	27.7	Very low	29.1	Very low	179 Å²	179	145.8 Å²	145.8	70%	0.702	74%	0.736	S	S	*	*			trans	88.5	107.1	143.1	-77.8	-50.7	0	0	0	121.4	E342	E342-Y345 PolarHBondContact OE1-N 3.11Å
346	K	28.4	Very low	28.9	Very low	180 Å²	180	143.9 Å²	143.9	78%	0.783	73%	0.732	S	S	*	*				78.2	106.2	129.6	-85.7	170.1	178.5	174.2	0	120.1
347	A	28.2	Very low	27.8	Very low	85 Å²	85	144.8 Å²	144.8	70%	0.702	74%	0.74	S	S	*	*				114.1	116.2	102.7	0	0	0	0	0	119.9
348	Q	27.8	Very low	27	Very low	170 Å²	170	148.3 Å²	148.3	79%	0.794	74%	0.744	S	S	*	*			trans	74.6	149.5	143.3	-68.2	-168.4	10.2	0	0	121.6
349	K	29	Very low	26.9	Very low	171 Å²	171	146 Å²	146	74%	0.743	74%	0.735	S	S	*	*			trans	73	125.1	167.7	-70.1	166.2	-172.3	174.4	0	113.8
350	K	24.9	Very low	26.9	Very low	177 Å²	177	144 Å²	144	77%	0.77	73%	0.731	S	S	*	*				76.8	150.9	58.5	-82.1	-163.5	170.7	-166.9	0	112.2
351	D	25.3	Very low	27.1	Very low	129 Å²	129	145.1 Å²	145.1	69%	0.69	73%	0.73	S	S	*	*			trans	70.7	114.6	166	-50.6	-38.9	0	0	0	112.1
352	L	22.9	Very low	27.1	Very low	151 Å²	151	148.3 Å²	148.3	79%	0.791	73%	0.733	S	S	*	*			cis	51.5	110	41.2	-166.7	81.5	0	0	0	111.8
353	K	23.8	Very low	26.9	Very low	186 Å²	186	145.8 Å²	145.8	81%	0.809	73%	0.732	S	S	*	*			trans	85.3	143.8	-173.4	-57.5	172	-176.5	176.1	0	113.6
354	S	24.3	Very low	27	Very low	86 Å²	86	147.5 Å²	147.5	60%	0.601	73%	0.732	S	S	*	*			cis	-171	157.5	-13.2	46.2	0	0	0	0	112.4
355	Q	23.6	Very low	27.8	Very low	164 Å²	164	148.4 Å²	148.4	77%	0.766	74%	0.739	S	S	*	*			trans	66	123.3	142.9	-78.4	171.3	-10.8	0	0	120.2
356	N	25.8	Very low	28.2	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	74%	0.741	S	S	*	*				47.6	95	123.4	-52	-1.6	0	0	0	118.6
357	S	24.7	Very low	28.5	Very low	118 Å²	118	142.7 Å²	142.7	83%	0.825	73%	0.733	S	S	*	*			trans	-143.3	101.9	149.9	-173.8	0	0	0	0	108
358	F	24.8	Very low	28.8	Very low	173 Å²	173	146.2 Å²	146.2	76%	0.759	74%	0.735	S	S	*	*				90.6	112	73.1	-101.7	-102.2	0	0	0	114.3
359	V	25.9	Very low	29.2	Very low	106 Å²	106	146.5 Å²	146.5	64%	0.642	73%	0.734	S	S	*	*				51.5	115	128.7	177.7	0	0	0	0	119.9
360	C	28.1	Very low	29.5	Very low	94 Å²	94	146 Å²	146	64%	0.635	73%	0.732	S	S	*	*				176.8	146	119.5	-90.5	0	0	0	0	108.9
361	K	32.4	Very low	30	Very low	170 Å²	170	144.1 Å²	144.1	74%	0.739	73%	0.726	S	S	*	*			cis	-160.9	157.6	-8.9	-96.6	154.1	179.2	140.8	0	103.8
362	R	29.1	Very low	30.5	Very low	221 Å²	221	144.3 Å²	144.3	83%	0.834	73%	0.727	S	S	*	*			cis	-165.9	157.1	11.4	-120.7	171.6	175.3	168	-4.5	105
363	S	26.8	Very low	31	Very low	88 Å²	88	141.5 Å²	141.5	62%	0.615	72%	0.72	S	S	*	*			cis	-166.1	131.4	-6.8	17.7	0	0	0	0	106.9
364	Y	31.1	Very low	31.5	Very low	218 Å²	218	139.7 Å²	139.7	86%	0.855	72%	0.717	S	S	*	*				64.8	144.6	86	-75.9	-68.1	0	0	0	115.8
365	P	49.6	Very low	31.8	Very low	109 Å²	109	141.3 Å²	141.3	71%	0.708	72%	0.724	S	S	*	*			cis	-120.1	-152.1	10.5	42.4	-24.9	0	0	0	112.9
366	N	35.6	Very low	32.1	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	72%	0.72	S	S	*	*			cis	-170.2	169.7	-6.4	-124.6	19.6	0	0	0	107.2
367	T	34.9	Very low	32.4	Very low	101 Å²	101	141.3 Å²	141.3	62%	0.62	72%	0.723	S	S	*	*			cis	-170.5	155.7	-19.9	13.7	0	0	0	0	113.8
368	Q	35.1	Very low	32.9	Very low	158 Å²	158	141.5 Å²	141.5	74%	0.738	72%	0.715	S	S	*	*			trans	74.3	112.5	145.9	-70.2	-169.5	22.5	0	0	126.2
369	F	35.2	Very low	33	Very low	176 Å²	176	141.7 Å²	141.7	77%	0.772	72%	0.716	S	S	*	*				62.3	153.4	129.2	-67.4	-52.6	0	0	0	123.6
370	K	34.7	Very low	33.4	Very low	162 Å²	162	143.5 Å²	143.5	70%	0.704	72%	0.721	S	S	*	*			cis	-161.3	139	6.3	-133.7	-169.3	-173.3	-156.8	0	116.5
371	Q	36.7	Very low	33.5	Very low	137 Å²	137	147.4 Å²	147.4	64%	0.64	73%	0.727	S	S	*	*			trans	62.4	141.6	138.3	-85.7	-173.4	-82	0	0	129.3
372	N	34.7	Very low	33.3	Very low	133 Å²	133	144.6 Å²	144.6	71%	0.711	72%	0.724	S	S	*	*			trans	78.9	152.3	148.5	-64.1	5.2	0	0	0	122
373	S	34.2	Very low	33.3	Very low	92 Å²	92	141.7 Å²	141.7	64%	0.643	72%	0.72	S	S	*	*			cis	-178.6	152.4	-24	57.7	0	0	0	0	115.9
374	I	34	Very low	33.4	Very low	147 Å²	147	142.7 Å²	142.7	75%	0.754	73%	0.727	S	S	*	*			trans	92.3	128.5	148.7	-72.9	159.9	0	0	0	123.9
375	T	31.4	Very low	33.4	Very low	121 Å²	121	141.2 Å²	141.2	74%	0.742	73%	0.728	S	S	*	*			trans	31.7	158.8	158.8	58.1	0	0	0	0	124.1
376	D	28.6	Very low	32.3	Very low	130 Å²	130	144.1 Å²	144.1	70%	0.695	74%	0.736	S	S	*	*			cis	-149.7	-165.6	17.7	-141.9	-38.9	0	0	0	114.9
377	Q	33.5	Very low	32.1	Very low	174 Å²	174	143.2 Å²	143.2	81%	0.813	74%	0.74	S	S	*	*			trans	-102.5	-170.4	-162.6	-59.4	151.7	103.9	0	0	114.9
378	D	33.5	Very low	31.6	Very low	123 Å²	123	145.3 Å²	145.3	66%	0.658	75%	0.752	S	S	*	*			cis	-163.3	179.9	18.5	-179.2	29.9	0	0	0	112.5
379	K	28	Very low	31.2	Very low	176 Å²	176	144.9 Å²	144.9	77%	0.765	75%	0.754	S	S	*	*			trans	91.6	85	157.6	-58.9	-163.1	177	177.2	0	123.8
380	L	33.1	Very low	30.8	Very low	144 Å²	144	143.8 Å²	143.8	75%	0.754	75%	0.751	S	S	*	*				32.2	147.5	101.3	-60.8	163.4	0	0	0	120.4
381	K	30.2	Very low	30.4	Very low	177 Å²	177	143 Å²	143	77%	0.77	76%	0.755	S	S	*	*			cis	177.9	168.5	-6.9	-173.7	-170.1	-164.1	178.4	0	110.3
382	V	28.8	Very low	29.8	Very low	111 Å²	111	140.3 Å²	140.3	67%	0.673	76%	0.764	S	S	*	*			trans	126.7	104.6	141.9	-178.8	0	0	0	0	119.7
383	Q	29.1	Very low	29.5	Very low	160 Å²	160	141.1 Å²	141.1	75%	0.748	76%	0.764	S	S	*	*			trans	47.9	130.4	131.9	-59.2	177.2	-116.4	0	0	127.7
384	S	28.2	Very low	29.2	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	77%	0.767	S	S	*	*				76.1	139.6	124	68.1	0	0	0	0	124.3
385	Q	31.5	Very low	28.8	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	76%	0.763	S	S	*	*			trans	-90.9	148.1	165.3	-54.5	159.2	-59.8	0	0	111.5
386	L	27.2	Very low	28.6	Very low	169 Å²	169	146 Å²	146	89%	0.885	77%	0.767	S	S	*	*				-166	161.4	123	-141.1	72	0	0	0	111
387	C	30.6	Very low	28.4	Very low	121 Å²	121	146.9 Å²	146.9	82%	0.818	77%	0.768	S	S	*	*			trans	-102.4	150.2	173.5	-67.6	0	0	0	0	111.7
388	V	26	Very low	28.1	Very low	145 Å²	145	147 Å²	147	88%	0.879	77%	0.766	S	S	*	*			trans	-135.7	155.8	166.4	179.3	0	0	0	0	108.9
389	L	26.1	Very low	27.7	Very low	148 Å²	148	145.3 Å²	145.3	78%	0.775	77%	0.77	S	S	*	*			trans	-109.8	160.7	-165.2	-74.6	165.2	0	0	0	114.2
390	Q	27.6	Very low	27.6	Very low	153 Å²	153	147.1 Å²	147.1	72%	0.715	78%	0.778	S	S	*	*			trans	85.1	139.3	132.9	-94.4	-178.7	12.6	0	0	124
391	N	25.5	Very low	27.4	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	78%	0.776	S	S	*	*			trans	82.5	135.1	141.3	-61	-18.6	0	0	0	121.5
392	G	24.7	Very low	27.3	Very low	81 Å²	81	144.8 Å²	144.8	84%	0.835	78%	0.779	S	S	*	*			trans	168.9	65	176.3	0	0	0	0	0	113.9
393	E	28	Very low	27.4	Very low	151 Å²	151	147.4 Å²	147.4	71%	0.706	78%	0.784	S	S	*	*			trans	-83.4	169.4	172.1	-64	-174.4	105.4	0	0	113
394	K	27.6	Very low	27.5	Very low	165 Å²	165	146.9 Å²	146.9	72%	0.717	78%	0.779	S	S	*	*			trans	75.9	148.8	160	-64.8	140.9	-178.5	153.1	0	114.8
395	T	26.2	Very low	27.6	Very low	107 Å²	107	148.4 Å²	148.4	66%	0.656	77%	0.774	S	S	*	*			cis	-161.9	150.5	3.7	-0.2	0	0	0	0	111.2
396	K	25.6	Very low	27.4	Very low	191 Å²	191	144.5 Å²	144.5	83%	0.83	76%	0.763	S	S	*	*			trans	57.8	157.2	151.1	-65	162.1	-178.5	174.5	0	116.2
397	M	25.5	Very low	27.4	Very low	147 Å²	147	144.8 Å²	144.8	72%	0.724	76%	0.76	S	S	*	*			cis	-164.1	162.7	24.1	-157.1	163.4	51.8	0	0	111
398	K	26.6	Very low	27.3	Very low	176 Å²	176	143.5 Å²	143.5	77%	0.765	76%	0.758	S	S	*	*			trans	25.1	113.5	155.3	-68	165.9	-175.7	-179.6	0	118.5
399	A	25.6	Very low	27.4	Very low	89 Å²	89	140.2 Å²	140.2	74%	0.736	75%	0.745	S	S	*	*				65.2	115.4	72.1	0	0	0	0	0	115.6
400	F	26.6	Very low	27.5	Very low	214 Å²	214	141.6 Å²	141.6	94%	0.939	75%	0.748	S	S	*	*			trans	-154.7	146.8	151.1	-118.7	-76.4	0	0	0	111.7
401	T	28.2	Very low	27.5	Very low	118 Å²	118	141 Å²	141	72%	0.724	75%	0.75	S	S	*	*			trans	-102.6	147.3	179.6	45.3	0	0	0	0	112.5
402	N	27.6	Very low	27.9	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	75%	0.749	S	S	*	*			trans	-163.6	135.8	148.8	-91.5	-31.8	0	0	0	106.6
403	Q	31.2	Very low	28.3	Very low	165 Å²	165	139.5 Å²	139.5	77%	0.771	74%	0.738	S	S	*	*			cis	60.1	136.6	48	-81.3	-164.2	10.5	0	0	113
404	K	30.8	Very low	28.5	Very low	150 Å²	150	140.9 Å²	140.9	65%	0.652	74%	0.744	S	S	*	*			cis	-147.7	144	17	-117.8	-166.6	-178.1	-142.1	0	109.5
405	Q	29.9	Very low	28.6	Very low	141 Å²	141	140.6 Å²	140.6	66%	0.659	75%	0.749	S	S	*	*				64.2	121.9	98.6	-75.8	-167.7	-36.5	0	0	115.7
406	V	28.6	Very low	28.7	Very low	104 Å²	104	143.5 Å²	143.5	63%	0.63	76%	0.755	S	S	*	*				113.6	154.1	87.6	154.8	0	0	0	0	109.3
407	E	27.9	Very low	28.8	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	76%	0.758	S	S	*	*			cis	-150.1	148.4	24.4	-143.7	123.6	-133.5	0	0	112.9
408	A	28.3	Very low	28.9	Very low	94 Å²	94	142.7 Å²	142.7	78%	0.777	76%	0.756	S	S	*	*			trans	48.2	164.6	130.5	0	0	0	0	0	124.1
409	A	27.7	Very low	29	Very low	75 Å²	75	140.6 Å²	140.6	62%	0.62	75%	0.753	S	S	*	*			cis	-142.7	155	2	0	0	0	0	0	110.6
410	Q	28.2	Very low	29.1	Very low	178 Å²	178	142 Å²	142	83%	0.832	75%	0.752	S	S	*	*				51.6	137.9	99.4	-51.3	-176.7	-99.1	0	0	115.7
411	D	27.2	Very low	29.1	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	75%	0.748	S	S	*	*			cis	-131.7	153.8	22.8	-95.7	-41.1	0	0	0	112.7
412	S	32.9	Very low	29	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	74%	0.744	S	S	*	*				73.4	139.2	75.4	-136	0	0	0	0	114.3
413	S	33.1	Very low	29	Very low	86 Å²	86	140 Å²	140	60%	0.601	74%	0.741	S	S	*	*			cis	-162.6	152.4	18.1	67.1	0	0	0	0	115.7
414	Q	32.4	Very low	28.7	Very low	180 Å²	180	139.8 Å²	139.8	84%	0.841	75%	0.745	S	S	*	*			trans	67.7	158	152.9	-62.4	169.4	12.7	0	0	118.3
415	I	29.8	Very low	30.2	Very low	159 Å²	159	137.5 Å²	137.5	82%	0.815	75%	0.746	S	S	*	*			cis	-129.3	153.6	16	-66.7	169.8	0	0	0	111.7
416	Q	29.5	Very low	30	Very low	168 Å²	168	139.4 Å²	139.4	79%	0.785	75%	0.754	S	S	*	*			trans	-103.7	153.7	170	-56.9	172.1	-56.1	0	0	112.4
417	I	27.3	Very low	29.9	Very low	177 Å²	177	138.7 Å²	138.7	91%	0.908	75%	0.754	S	S	*	*			trans	-146.7	161.2	132.1	-73.1	-155.1	0	0	0	108.1
418	H	28.6	Very low	29.8	Very low	144 Å²	144	141.1 Å²	141.1	67%	0.667	76%	0.756	S	S	*	*			trans	-130.7	155.8	-159.1	-139.7	-62.3	0	0	0	112.6
419	N	28.2	Very low	29.6	Very low	133 Å²	133	141 Å²	141	71%	0.711	75%	0.749	S	S	*	*			trans	82.9	145.9	139.7	-99.1	2.7	0	0	0	125.1
420	V	27.5	Very low	29.4	Very low	118 Å²	118	146.1 Å²	146.1	72%	0.715	76%	0.76	S	S	*	*			trans	90.9	96.5	135.8	164.7	0	0	0	0	121.9
421	R	26.9	Very low	29.3	Very low	227 Å²	227	142.8 Å²	142.8	86%	0.857	76%	0.756	S	S	*	*				64.3	139.5	108.9	-139	-166.4	-176.3	165.7	0.9	122.3
422	S	25.9	Very low	29.3	Very low	90 Å²	90	141.1 Å²	141.1	63%	0.629	75%	0.752	S	S	*	*			trans	93	122.6	140.8	-81.4	0	0	0	0	123.5
423	V	26.4	Very low	29.2	Very low	128 Å²	128	144.1 Å²	144.1	78%	0.776	75%	0.754	S	S	*	*				76.9	105.4	126.2	180	0	0	0	0	121.1
424	N	26.3	Very low	28.9	Very low	159 Å²	159	148.4 Å²	148.4	85%	0.85	76%	0.764	S	S	*	*			trans	56.8	160.3	140.1	-92.4	7	0	0	0	123.6
425	P	62.7	Low	28.7	Very low	102 Å²	102	146.7 Å²	146.7	66%	0.662	76%	0.76	S	S	*	*			trans	-111.2	172	-166.6	42.3	-34.3	0	0	0	114.4
426	H	24.2	Very low	28.6	Very low	182 Å²	182	146 Å²	146	84%	0.843	76%	0.757	S	S	*	*			trans	-158.8	122.4	151.3	-110	-72.5	0	0	0	115.3
427	S	26.7	Very low	28.5	Very low	89 Å²	89	146.4 Å²	146.4	62%	0.622	76%	0.759	S	S	*	*			trans	21.7	147	141.2	58.8	0	0	0	0	125.1
428	R	25.6	Very low	28.7	Very low	227 Å²	227	146.5 Å²	146.5	86%	0.857	76%	0.756	S	S	*	*			trans	77.5	121.6	148.6	-87.5	-177.4	164.2	163.3	-7	117.2
429	S	24.7	Very low	28.7	Very low	92 Å²	92	149 Å²	149	64%	0.643	77%	0.768	S	S	*	*				67.9	137.4	86	79.8	0	0	0	0	112.8
430	E	23.8	Very low	28.8	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	78%	0.775	S	S	*	*			cis	-144.7	-164.8	39.5	-69.1	176.2	127.6	0	0	114.7
431	S	26.6	Very low	29	Very low	107 Å²	107	153.7 Å²	153.7	75%	0.748	78%	0.783	S	S	*	*			trans	-66	-178	-179	57.2	0	0	0	0	114.4
432	T	25.6	Very low	29.2	Very low	107 Å²	107	146.5 Å²	146.5	66%	0.656	77%	0.772	S	S	*	*				-164.2	135	51.7	-58.6	0	0	0	0	114
433	E	31.5	Very low	29.4	Very low	169 Å²	169	148.4 Å²	148.4	79%	0.79	78%	0.78	S	S	*	*			trans	38.6	137.8	152.6	-61.8	171.8	-176.7	0	0	123.8
434	Q	26.2	Very low	29.5	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	78%	0.775	S	S	*	*				-166.3	118.5	99.4	-102.2	-178.2	7	0	0	115.8
435	L	28.2	Very low	29.6	Very low	144 Å²	144	147.8 Å²	147.8	75%	0.754	77%	0.769	S	S	*	*			trans	63.3	147.8	143.8	-99.5	93.6	0	0	0	124.8
436	L	27.7	Very low	27.9	Very low	143 Å²	143	150 Å²	150	75%	0.749	77%	0.774	S	S	*	*			trans	72.3	135.1	171.9	-52	178	0	0	0	115.6
437	Q	28.3	Very low	28	Very low	177 Å²	177	148.3 Å²	148.3	83%	0.827	77%	0.771	S	S	*	*			cis	-152.4	159.3	7.1	-141.3	161.7	-16.9	0	0	111.5
438	E	30.5	Very low	27.9	Very low	179 Å²	179	149.1 Å²	149.1	84%	0.836	78%	0.777	S	S	*	*			trans	-75.8	164.3	176.8	-65	153.9	161.4	0	0	110.9
439	E	29.8	Very low	28.2	Very low	198 Å²	198	143.8 Å²	143.8	93%	0.925	77%	0.774	S	S	*	*				-146.3	173.2	63.3	-66.4	-179.2	152.9	0	0	114.2
440	D	29.7	Very low	30	Very low	162 Å²	162	144.5 Å²	144.5	87%	0.866	78%	0.777	S	S	*	*			trans	-100.5	165.5	-159.8	-78.8	-57.5	0	0	0	118.9
441	E	31.3	Very low	30.2	Very low	186 Å²	186	143.9 Å²	143.9	87%	0.869	77%	0.774	S	S	*	*			trans	-66.1	169.9	159.1	-89.2	-164.3	176.2	0	0	113.5
442	A	32	Very low	30.3	Very low	77 Å²	77	145.4 Å²	145.4	64%	0.636	77%	0.774	S	S	*	*			cis	-168.3	-125.7	-14.3	0	0	0	0	0	107.8
443	V	29.6	Very low	30.6	Very low	130 Å²	130	148.7 Å²	148.7	79%	0.788	78%	0.782	S	S	*	*			trans	78.4	135.7	157	178.7	0	0	0	0	117.6
444	I	28.8	Very low	30.5	Very low	131 Å²	131	146 Å²	146	67%	0.672	77%	0.773	S	S	*	*			cis	-158.9	147.1	-18.4	-111.9	-179.9	0	0	0	110.4
445	I	28	Very low	30.9	Very low	142 Å²	142	145 Å²	145	73%	0.728	77%	0.767	S	S	*	*			trans	18.7	146.1	147.2	-32.5	162.3	0	0	0	122.3
446	I	27.8	Very low	31	Very low	148 Å²	148	146.3 Å²	146.3	76%	0.759	77%	0.77	S	S	*	*			trans	127.8	96.4	142.6	-61.1	178.1	0	0	0	115.8
447	D	24.9	Very low	31.1	Very low	148 Å²	148	146.7 Å²	146.7	79%	0.791	77%	0.773	S	S	*	*				50.3	155.1	117.1	-139.7	-7.2	0	0	0	124.8
448	S	25.7	Very low	31.1	Very low	106 Å²	106	146.6 Å²	146.6	74%	0.741	77%	0.772	S	S	*	*			trans	82.2	136.6	164.9	-63.1	0	0	0	0	122.1
449	S	31.7	Very low	31.1	Very low	115 Å²	115	143.6 Å²	143.6	80%	0.804	77%	0.766	S	S	*	*			trans	-94.4	-168.3	170.5	-37.6	0	0	0	0	111.1
450	P	62.2	Low	30.9	Very low	107 Å²	107	139.8 Å²	139.8	70%	0.695	75%	0.752	S	S	*	*			cis	-133.4	-131.6	-6.4	39	-15.9	0	0	0	112.7
451	E	27.3	Very low	30.7	Very low	168 Å²	168	142.6 Å²	142.6	79%	0.785	75%	0.752	S	S	*	*			trans	76.5	142.3	171.6	-58.1	175.1	-160	0	0	117.6
452	D	29.7	Very low	30.7	Very low	140 Å²	140	137.6 Å²	137.6	75%	0.749	74%	0.737	S	S	*	*			cis	-168.3	171.9	-35.2	-112	-38	0	0	0	110.4
453	E	32.3	Very low	30.7	Very low	176 Å²	176	142.7 Å²	142.7	82%	0.822	75%	0.748	S	S	*	*			trans	66.2	147.7	159.5	-80.6	179	-159.9	0	0	120
454	D	29.5	Very low	30.7	Very low	113 Å²	113	144.7 Å²	144.7	60%	0.604	75%	0.753	S	S	*	*			cis	-163.8	176	-16.2	-148.5	0.8	0	0	0	114.1
455	H	33.1	Very low	30.9	Very low	154 Å²	154	143.7 Å²	143.7	71%	0.713	76%	0.758	S	S	*	*			trans	75.7	135.5	165.6	-53.9	-27.8	0	0	0	119.6
456	E	32.2	Very low	31.3	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	77%	0.765	S	S	*	*			cis	119.7	168.7	9.2	-74.8	-152.3	152.1	0	0	114.7
457	D	28	Very low	31.8	Very low	152 Å²	152	143.1 Å²	143.1	81%	0.813	76%	0.759	S	S	*	*			trans	76	102.8	-163.7	-62.6	-16.5	0	0	0	114.5
458	E	29	Very low	33.1	Very low	174 Å²	174	141.3 Å²	141.3	81%	0.813	75%	0.749	S	S	*	*				64	133.3	60.5	-124.6	-161.4	-165.2	0	0	112.9
459	V	29.9	Very low	34.9	Very low	116 Å²	116	140.8 Å²	140.8	70%	0.703	74%	0.744	S	S	*	*			cis	-155.2	156.3	26.5	-144.8	0	0	0	0	113.6
460	N	25.9	Very low	35.8	Very low	118 Å²	118	141.8 Å²	141.8	63%	0.631	74%	0.737	S	S	*	*			trans	63	114.8	139.1	-173.8	42.6	0	0	0	123
461	Y	26.8	Very low	35.3	Very low	222 Å²	222	141.8 Å²	141.8	87%	0.871	73%	0.728	S	S	*	*				-153.4	155.4	118.7	-138.9	-95.5	0	0	0	112.4
462	S	31.4	Very low	36.7	Very low	80 Å²	80	139.1 Å²	139.1	56%	0.559	72%	0.716	S	S	*	*			trans	-113.1	166.8	-173.1	-60.5	0	0	0	0	113.8
463	E	31.8	Very low	38	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.864	71%	0.706	S	S	*	*			trans	71	141	172.1	-54.4	-174.7	144.9	0	0	114.1
464	L	29.4	Very low	39	Very low	172 Å²	172	134.7 Å²	134.7	90%	0.901	69%	0.693	S	S	*	*			cis	-134.1	165.9	43	-75.9	162.9	0	0	0	114.9
465	S	31.8	Very low	40.7	Very low	110 Å²	110	134.8 Å²	134.8	77%	0.769	69%	0.685	S	S	*	*			trans	-79.6	133.9	-177.5	-165.4	0	0	0	0	113.4
466	E	38	Very low	42.3	Very low	186 Å²	186	132.3 Å²	132.3	87%	0.869	68%	0.676	S	S	*	*			trans	-67.1	153.4	152.8	-65.4	-171	144.9	0	0	109.6
467	S	37.3	Very low	43.6	Very low	92 Å²	92	130.5 Å²	130.5	64%	0.643	67%	0.666	S	S	*	*			trans	-108.4	147.8	-175.4	-66.1	0	0	0	0	112	P469	S467-P469 WeakPolarHBondContact O-CD 3.43Å
468	D	52.6	Low	44.8	Very low	109 Å²	109	128.1 Å²	128.1	58%	0.583	65%	0.651	S	S	*	*			trans	-60.3	124.3	175.1	-173.5	-28.4	0	0	0	110.5	M470 E471	D468-M470 PolarHBondContact O-N 3.09Å; D468-M470 VanDerWaalsContact OD1-CB 3.24Å; D468-M470 WeakPolarHBondContact OD1-CB 3.46Å; D468-M470 PolarHBondContact OD1-N 3.36Å; D468-E471 WeakPolarHBondContact O-CB 3.26Å; D468-E471 PolarHBondContact O-N 3.47Å
469	P	62.6	Low	46.1	Very low	96 Å²	96	126.3 Å²	126.3	62%	0.623	64%	0.643	S	S	*	*	H	α-helix	trans	-53	-24.3	176.9	-28.6	36.1	0	0	0	114.9	S467 E471 E472 C473	S467-P469 WeakPolarHBondContact O-CD 3.43Å; P469-E471 VanDerWaalsContact C-N 3.3Å; P469-E471 PolarHBondContact O-N 3.48Å; P469-E472 PolarHBondContact O-N 3.36Å; P469-C473 PolarHBondContact O-N 2.66Å; P469-C473 VanDerWaalsContact O-N 3.11Å; P469-C473 PolarHBondContact O-SG 3.28Å; P469-C473 VanDerWaalsContact O-SG 3.38Å
470	M	52.1	Low	47	Very low	136 Å²	136	124.6 Å²	124.6	67%	0.67	64%	0.64	S	S	*	*	H	α-helix	trans	-63.2	-34.7	176.9	-158.7	64.5	55.3	0	0	112.7	D468 Y474	D468-M470 PolarHBondContact O-N 3.09Å; D468-M470 VanDerWaalsContact OD1-CB 3.24Å; D468-M470 WeakPolarHBondContact OD1-CB 3.46Å; D468-M470 PolarHBondContact OD1-N 3.36Å; M470-Y474 PolarHBondContact O-N 3.24Å
471	E	50.5	Low	47.9	Very low	107 Å²	107	124.3 Å²	124.3	50%	0.5	64%	0.639	S	S	.	*	H	α-helix	trans	-71.6	-32.5	-179.1	-169.8	66.5	-159.9	0	0	111.4	D468 P469 Y474 R475	D468-E471 WeakPolarHBondContact O-CB 3.26Å; D468-E471 PolarHBondContact O-N 3.47Å; P469-E471 VanDerWaalsContact C-N 3.3Å; P469-E471 PolarHBondContact O-N 3.48Å; E471-Y474 PolarHBondContact O-N 2.79Å; E471-R475 PolarHBondContact O-N 3.16Å; E471-R475 VanDerWaalsContact O-N 3.08Å
472	E	57.3	Low	48.7	Very low	112 Å²	112	119 Å²	119	52%	0.523	63%	0.63	S	S	.	*	H	α-helix	trans	-76.5	-39.6	175.6	-169.4	158.8	-176.2	0	0	112	P469 Y474 R475 I476	P469-E472 PolarHBondContact O-N 3.36Å; E472-Y474 PolarHBondContact O-N 2.91Å; E472-R475 PolarHBondContact O-N 2.96Å; E472-I476 HydrophobicContact CG-CD1 4.23Å; E472-I476 WeakPolarHBondContact O-CG1 3.25Å; E472-I476 PolarHBondContact O-N 3.16Å
473	C	55.5	Low	49.3	Very low	81 Å²	81	123.6 Å²	123.6	55%	0.547	64%	0.643	S	S	.	*	H	α-helix	trans	-57.3	-36.2	167.8	-67.7	0	0	0	0	112.2	P469 F477	P469-C473 PolarHBondContact O-N 2.66Å; P469-C473 VanDerWaalsContact O-N 3.11Å; P469-C473 PolarHBondContact O-SG 3.28Å; P469-C473 VanDerWaalsContact O-SG 3.38Å; C473-F477 WeakPolarHBondContact O-CB 3.37Å; C473-F477 PolarHBondContact O-N 3.13Å; C473-F477 VanDerWaalsContact O-N 3.1Å
474	Y	54.8	Low	49.9	Very low	141 Å²	141	124.2 Å²	124.2	55%	0.553	65%	0.645	S	S	*	*	H	α-helix	trans	-70.6	-39.7	177	-166.9	-112.5	0	0	0	112.7	M470 E471 E472 F477 M478	M470-Y474 PolarHBondContact O-N 3.24Å; E471-Y474 PolarHBondContact O-N 2.79Å; E472-Y474 PolarHBondContact O-N 2.91Å; Y474-F477 PolarHBondContact O-N 2.94Å; Y474-M478 HydrophobicContact CD1-CG 4.5Å; Y474-M478 HydrophobicContact CE1-CG 4.21Å; Y474-M478 WeakPolarHBondContact O-CG 3.38Å; Y474-M478 PolarHBondContact O-N 2.84Å; Y474-M478 VanDerWaalsContact O-N 3.08Å
475	R	63.8	Low	50	Low	116 Å²	116	125.4 Å²	125.4	44%	0.438	64%	0.643	S	S	.	*	H	α-helix	trans	-58.6	-52.6	171.9	-79.9	-170.3	-70.4	-86.8	2.3	112.2	E471 E472 F477 M478 E479	E471-R475 PolarHBondContact O-N 3.16Å; E471-R475 VanDerWaalsContact O-N 3.08Å; E472-R475 PolarHBondContact O-N 2.96Å; R475-F477 VanDerWaalsContact C-N 3.26Å; R475-F477 PolarHBondContact O-N 3.33Å; R475-M478 PolarHBondContact O-N 3.17Å; R475-E479 PolarHBondContact O-N 3.23Å
476	I	68.4	Low	50.1	Low	102 Å²	102	123.8 Å²	123.8	52%	0.523	64%	0.644	S	S	.	*	H	α-helix	trans	-58.7	-40.1	-179.3	-65	164.2	0	0	0	110.9	E472 M478 A480	E472-I476 HydrophobicContact CG-CD1 4.23Å; E472-I476 WeakPolarHBondContact O-CG1 3.25Å; E472-I476 PolarHBondContact O-N 3.16Å; I476-M478 VanDerWaalsContact C-N 3.33Å; I476-M478 PolarHBondContact O-N 2.67Å; I476-A480 WeakPolarHBondContact O-CB 3.42Å; I476-A480 PolarHBondContact O-N 3.01Å; I476-A480 VanDerWaalsContact O-N 3.14Å
477	F	59.6	Low	49.6	Very low	133 Å²	133	120.3 Å²	120.3	58%	0.583	64%	0.64	S	S	*	*	H	α-helix	trans	-66.2	-32.8	176.1	-172	-95.6	0	0	0	113	C473 Y474 R475 N481	C473-F477 WeakPolarHBondContact O-CB 3.37Å; C473-F477 PolarHBondContact O-N 3.13Å; C473-F477 VanDerWaalsContact O-N 3.1Å; Y474-F477 PolarHBondContact O-N 2.94Å; R475-F477 VanDerWaalsContact C-N 3.26Å; R475-F477 PolarHBondContact O-N 3.33Å; F477-N481 PolarHBondContact O-ND2 3.44Å
478	M	53.3	Low	49.3	Very low	103 Å²	103	124.2 Å²	124.2	51%	0.507	65%	0.648	S	S	.	*	H	α-helix	trans	-76.3	-41.5	177.5	-70.5	-63.7	-64.6	0	0	112.4	Y474 R475 I476 N481 T482	Y474-M478 HydrophobicContact CD1-CG 4.5Å; Y474-M478 HydrophobicContact CE1-CG 4.21Å; Y474-M478 WeakPolarHBondContact O-CG 3.38Å; Y474-M478 PolarHBondContact O-N 2.84Å; Y474-M478 VanDerWaalsContact O-N 3.08Å; R475-M478 PolarHBondContact O-N 3.17Å; I476-M478 VanDerWaalsContact C-N 3.33Å; I476-M478 PolarHBondContact O-N 2.67Å; M478-N481 PolarHBondContact O-N 3.22Å; M478-T482 PolarHBondContact O-OG1 2.94Å
479	E	55.8	Low	48.1	Very low	136 Å²	136	127 Å²	127	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-63.4	-42.5	177	-71.4	179.4	131	0	0	111.9	R475 N481 T482	R475-E479 PolarHBondContact O-N 3.23Å; E479-N481 PolarHBondContact O-N 3.05Å; E479-T482 PolarHBondContact O-N 2.94Å; E479-T482 PolarHBondContact O-OG1 3.43Å
480	A	48.2	Very low	46.5	Very low	79 Å²	79	130.9 Å²	130.9	65%	0.653	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-13.5	178.3	0	0	0	0	0	114.8	I476	I476-A480 WeakPolarHBondContact O-CB 3.42Å; I476-A480 PolarHBondContact O-N 3.01Å; I476-A480 VanDerWaalsContact O-N 3.14Å
481	N	44.8	Very low	45.3	Very low	113 Å²	113	128.3 Å²	128.3	60%	0.604	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	2.5	176	-83	-83.7	0	0	0	113.6	F477 M478 E479	F477-N481 PolarHBondContact O-ND2 3.44Å; M478-N481 PolarHBondContact O-N 3.22Å; E479-N481 PolarHBondContact O-N 3.05Å
482	T	43.4	Very low	44	Very low	110 Å²	110	127.2 Å²	127.2	68%	0.675	69%	0.693	S	S	*	*	S	Bend	trans	-100.8	-17.2	-172.1	-9.3	0	0	0	0	115.3	M478 E479	M478-T482 PolarHBondContact O-OG1 2.94Å; E479-T482 PolarHBondContact O-N 2.94Å; E479-T482 PolarHBondContact O-OG1 3.43Å
483	E	44.6	Very low	42.5	Very low	177 Å²	177	126.5 Å²	126.5	83%	0.827	71%	0.706	S	S	*	*	S	Bend	trans	-94.6	-18.6	-167.9	-61.6	-162.1	133.4	0	0	115.8	K485	E483-K485 VanDerWaalsContact C-N 3.3Å; E483-K485 PolarHBondContact O-N 2.84Å
484	E	45.1	Very low	41.1	Very low	197 Å²	197	127.9 Å²	127.9	92%	0.921	72%	0.717	S	S	*	*			trans	-81.6	70.4	176.4	-74.5	-151.1	155.5	0	0	113.4
485	K	31.1	Very low	39.9	Very low	198 Å²	198	128.4 Å²	128.4	86%	0.861	73%	0.728	S	S	*	*			trans	-159.5	53.9	159.2	-120.1	169.2	-168.4	168.7	0	113.4	E483	E483-K485 VanDerWaalsContact C-N 3.3Å; E483-K485 PolarHBondContact O-N 2.84Å
486	G	33.1	Very low	38.1	Very low	76 Å²	76	131.8 Å²	131.8	78%	0.784	75%	0.749	S	S	*	*			trans	-78.2	-173.7	179.9	0	0	0	0	0	115.3
487	S	28.6	Very low	36.2	Very low	113 Å²	113	132 Å²	132	79%	0.79	77%	0.765	S	S	*	*			trans	-151.6	161.2	169.8	57.6	0	0	0	0	110.5
488	E	31	Very low	34.6	Very low	173 Å²	173	134.3 Å²	134.3	81%	0.808	78%	0.778	S	S	*	*			trans	-61	172.2	178.1	-61.2	118.5	150.4	0	0	113
489	E	26.7	Very low	33.5	Very low	167 Å²	167	135.5 Å²	135.5	78%	0.78	79%	0.791	S	S	*	*			cis	-154.8	-148.3	25.8	-154.3	165.7	-154	0	0	114
490	Q	29.7	Very low	32.1	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	80%	0.801	S	S	*	*			trans	-82.2	157.8	-162.4	-64.3	157.1	18.4	0	0	114.1
491	G	25.1	Very low	31.1	Very low	83 Å²	83	139.9 Å²	139.9	86%	0.856	81%	0.807	S	S	*	*			trans	-139.8	81.9	173.1	0	0	0	0	0	113
492	G	25.1	Very low	30.9	Very low	83 Å²	83	139.3 Å²	139.3	86%	0.856	81%	0.809	S	S	*	*			trans	-89.3	133.3	164.2	0	0	0	0	0	110.2
493	A	25.7	Very low	30	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	82%	0.816	S	S	*	*			trans	-110	124.8	-174.9	0	0	0	0	0	112.5
494	S	25.4	Very low	29.1	Very low	111 Å²	111	139 Å²	139	78%	0.776	81%	0.808	S	S	*	*			trans	-164.6	121.9	157.7	-83.5	0	0	0	0	113.1
495	I	29.7	Very low	28.2	Very low	151 Å²	151	137 Å²	137	77%	0.774	80%	0.803	S	S	*	*			trans	68.4	104	144.3	-53	173.4	0	0	0	118.5
496	E	26.8	Very low	28.1	Very low	187 Å²	187	132 Å²	132	87%	0.874	80%	0.799	S	S	*	*				23.2	123.8	129.3	-54	175.9	160.5	0	0	121.1
497	A	28.1	Very low	27.7	Very low	106 Å²	106	133.3 Å²	133.3	88%	0.876	80%	0.802	S	S	*	*				-170.2	158.1	122.9	0	0	0	0	0	111.3
498	E	26.1	Very low	27.7	Very low	182 Å²	182	135 Å²	135	85%	0.85	80%	0.802	S	S	*	*			trans	-101.9	174.4	178.9	-60.9	-175.1	119.3	0	0	113.2
499	V	30.4	Very low	27.6	Very low	128 Å²	128	134.5 Å²	134.5	78%	0.776	80%	0.8	S	S	*	*			trans	75.1	128.5	169	-169.2	0	0	0	0	113
500	E	26.3	Very low	27.6	Very low	180 Å²	180	132.2 Å²	132.2	84%	0.841	79%	0.793	S	S	*	*			cis	-147.7	-165.6	43.3	-151.1	153.7	-132.7	0	0	114.6
501	T	27.4	Very low	27.7	Very low	128 Å²	128	130 Å²	130	79%	0.785	79%	0.786	S	S	*	*			trans	-116.8	-164.2	-164.2	54.3	0	0	0	0	112.8
502	P	39	Very low	27.8	Very low	100 Å²	100	132.4 Å²	132.4	65%	0.649	78%	0.784	S	S	*	*				-131.9	-177.5	-65.3	38.6	-22.6	0	0	0	114.7
503	E	24.3	Very low	28	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.813	78%	0.783	S	S	*	*			trans	57.5	173.4	153.3	-71.7	-177	160.1	0	0	118.8
504	V	26	Very low	28.2	Very low	108 Å²	108	139 Å²	139	66%	0.655	79%	0.788	S	S	*	*			cis	-144.7	175.1	3.5	-142.3	0	0	0	0	110.9
505	N	27.1	Very low	28.6	Very low	154 Å²	154	142 Å²	142	82%	0.824	79%	0.787	S	S	*	*			trans	98.8	107.3	149.3	-67.6	-40.7	0	0	0	120.6
506	A	27.9	Very low	28.6	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	79%	0.786	S	S	*	*			trans	-90.2	172.6	172.9	0	0	0	0	0	113.8
507	A	25.7	Very low	28.7	Very low	102 Å²	102	143.2 Å²	143.2	84%	0.843	79%	0.785	S	S	*	*			trans	-148.7	138.4	144.2	0	0	0	0	0	110.9
508	N	28.4	Very low	28.5	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	77%	0.77	S	S	*	*			trans	-97.2	164.3	177.4	-71.2	-68.2	0	0	0	111.4
509	Q	29.7	Very low	28.4	Very low	162 Å²	162	140.4 Å²	140.4	76%	0.757	77%	0.765	S	S	*	*				179.8	142.2	111.6	-101.3	-179.9	59.1	0	0	116.9
510	N	26.7	Very low	28	Very low	119 Å²	119	142.1 Å²	142.1	64%	0.636	76%	0.764	S	S	*	*			trans	75.1	145.6	143.4	-60.1	-14.2	0	0	0	122.1
511	L	30.5	Very low	28.1	Very low	133 Å²	133	137.7 Å²	137.7	70%	0.696	76%	0.758	S	S	*	*			cis	-172.2	141.3	-28.8	-115.2	173.9	0	0	0	110.5
512	T	28.6	Very low	28.1	Very low	133 Å²	133	141.2 Å²	141.2	82%	0.816	76%	0.763	S	S	*	*			trans	49.5	142.2	151.4	48.9	0	0	0	0	124.6
513	G	28	Very low	27.6	Very low	80 Å²	80	143.7 Å²	143.7	83%	0.825	77%	0.771	S	S	*	*			trans	168.6	128.7	149.4	0	0	0	0	0	116.9
514	R	31.1	Very low	27.6	Very low	239 Å²	239	140.7 Å²	140.7	90%	0.902	77%	0.768	S	S	*	*			trans	-133.9	141.7	171.4	-77.4	176.6	163.1	173.1	-6.5	110.6
515	K	32.3	Very low	27.7	Very low	174 Å²	174	143.6 Å²	143.6	76%	0.757	78%	0.775	S	S	*	*				144.6	128.5	129.2	-80.9	170.3	-177.3	172.7	0	116.7
516	R	30.3	Very low	28	Very low	202 Å²	202	143.9 Å²	143.9	76%	0.762	77%	0.771	S	S	*	*				61.5	131	127.1	-65	179.8	177	-173.9	-3.5	123.6
517	L	28.1	Very low	29	Very low	160 Å²	160	144.2 Å²	144.2	84%	0.838	77%	0.765	S	S	*	*			trans	62	160.3	134.5	-59.2	168.4	0	0	0	119.4
518	A	24.6	Very low	29	Very low	68 Å²	68	147 Å²	147	56%	0.562	77%	0.766	S	S	*	*			cis	-175.1	176.5	-32.5	0	0	0	0	0	109.6
519	H	24.9	Very low	29.2	Very low	161 Å²	161	144 Å²	144	75%	0.745	76%	0.761	S	S	*	*			trans	81.7	118.3	163.3	-61.7	-83.4	0	0	0	123
520	E	22	Very low	29.2	Very low	165 Å²	165	145.3 Å²	145.3	77%	0.771	76%	0.764	S	S	*	*				49.4	113.1	121	-63.2	175.7	93.7	0	0	125.5
521	A	28	Very low	29.3	Very low	86 Å²	86	147.1 Å²	147.1	71%	0.711	77%	0.771	S	S	*	*				76.4	155.6	113.6	0	0	0	0	0	124.6
522	K	27.3	Very low	29.3	Very low	203 Å²	203	151.3 Å²	151.3	88%	0.883	78%	0.777	S	S	*	*			trans	76.5	157.2	164.2	-65.3	178.3	-179.9	172.1	0	119.6
523	N	29	Very low	29.9	Very low	152 Å²	152	150.3 Å²	150.3	81%	0.813	77%	0.773	S	S	*	*			cis	-173.5	128.6	-42.2	-145.2	31.5	0	0	0	111.3
524	S	23.3	Very low	30.2	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	77%	0.774	S	S	*	*			trans	161.3	158.5	152.6	56	0	0	0	0	112.7
525	E	28.2	Very low	30.5	Very low	169 Å²	169	149.9 Å²	149.9	79%	0.79	77%	0.771	S	S	*	*			cis	-158.4	122.6	-37.2	-114.4	-174.9	152	0	0	111.3
526	Q	33.7	Very low	30.3	Very low	161 Å²	161	151 Å²	151	75%	0.752	78%	0.779	S	S	*	*			trans	52.1	175.7	146.2	-73.9	-153.9	22.2	0	0	122.3
527	P	48.3	Very low	30.1	Very low	100 Å²	100	147.8 Å²	147.8	65%	0.649	78%	0.782	S	S	*	*			cis	-128.8	161	-8.1	15.9	9.2	0	0	0	117.7
528	L	27.1	Very low	30.1	Very low	162 Å²	162	147.9 Å²	147.9	85%	0.848	78%	0.782	S	S	*	*			trans	53.1	143.4	151.2	-84.2	68.1	0	0	0	120.5
529	A	32.1	Very low	30.4	Very low	84 Å²	84	150.4 Å²	150.4	69%	0.694	79%	0.79	S	S	*	*			cis	-171.1	-168.5	-8.5	0	0	0	0	0	108.2
530	K	28.6	Very low	31.1	Very low	191 Å²	191	148.4 Å²	148.4	83%	0.83	79%	0.792	S	S	*	*			cis	-165.6	149	0.4	-141.8	165.5	-172.3	176.7	0	111.2
531	M	28.6	Very low	31.4	Very low	156 Å²	156	149.1 Å²	149.1	77%	0.768	80%	0.8	S	S	*	*			trans	19.7	146.1	147.5	-64.1	-65	94.6	0	0	123.6
532	R	30.6	Very low	31.4	Very low	221 Å²	221	155 Å²	155	83%	0.834	80%	0.804	S	S	*	*			cis	-154.3	-105.6	-9.7	-167.7	-170.2	-179.7	-176.1	0.5	116.4
533	P	41.2	Very low	31.6	Very low	113 Å²	113	152.2 Å²	152.2	73%	0.734	79%	0.793	S	S	*	*			trans	-130.8	-170.1	-148.1	43.4	-22.6	0	0	0	119.2
534	Q	35.4	Very low	32	Very low	181 Å²	181	150.7 Å²	150.7	85%	0.846	79%	0.792	S	S	*	*			trans	-93.6	173.1	175.8	-62.8	167.5	-33.4	0	0	114.7
535	P	36.4	Very low	32.1	Very low	129 Å²	129	149.3 Å²	149.3	84%	0.838	80%	0.795	S	S	*	*			trans	-95.9	174.6	164	38.6	-34	0	0	0	114.3
536	Q	27.8	Very low	32	Very low	198 Å²	198	145 Å²	145	93%	0.925	80%	0.795	S	S	*	*			trans	-126	172.1	-168.9	-65.1	172.3	-46.9	0	0	114
537	V	27.4	Very low	31.7	Very low	134 Å²	134	142.6 Å²	142.6	81%	0.812	80%	0.797	S	S	*	*			trans	-77.2	150.4	172.9	175.6	0	0	0	0	111.5
538	L	27.3	Very low	30.7	Very low	162 Å²	162	144.7 Å²	144.7	85%	0.848	81%	0.808	S	S	*	*			trans	-150.3	143.2	166.6	-144.8	123.7	0	0	0	112.3
539	V	32	Very low	30.7	Very low	120 Å²	120	141.9 Å²	141.9	73%	0.727	80%	0.801	S	S	*	*			trans	-117.2	132.7	179.3	177	0	0	0	0	109.9
540	P	38.6	Very low	30.5	Very low	120 Å²	120	149.2 Å²	149.2	78%	0.779	81%	0.811	S	S	*	*			trans	-93	130.5	172.3	-6.6	26.2	0	0	0	113.3
541	L	27.6	Very low	30.3	Very low	180 Å²	180	147.4 Å²	147.4	94%	0.942	81%	0.81	S	S	*	*			trans	-90.3	179.3	162.4	-95.9	163.4	0	0	0	111.2
542	R	29.9	Very low	30.3	Very low	210 Å²	210	145.2 Å²	145.2	79%	0.792	81%	0.81	S	S	*	*			trans	-112	125.2	-160.6	-178	-179.5	177.2	-177.1	-1.9	114.6
543	E	31.4	Very low	30.2	Very low	143 Å²	143	142 Å²	142	67%	0.668	81%	0.808	S	S	*	*			trans	66.5	160.3	160	-73.9	-178.7	-112.2	0	0	116.3
544	P	37	Very low	29.5	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	81%	0.81	S	S	*	*			cis	-140	162.2	26.4	42.5	-24.1	0	0	0	119.9
545	G	24.3	Very low	29.3	Very low	80 Å²	80	137.5 Å²	137.5	83%	0.825	80%	0.802	S	S	*	*			trans	83.5	148.9	140.8	0	0	0	0	0	120
546	G	26.3	Very low	29	Very low	78 Å²	78	140.8 Å²	140.8	80%	0.804	80%	0.804	S	S	*	*			trans	122.4	83.8	158	0	0	0	0	0	118
547	S	27.4	Very low	29.1	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	80%	0.797	S	S	*	*			trans	-21.5	142.8	159.2	55.7	0	0	0	0	120.1
548	V	26.8	Very low	29.3	Very low	144 Å²	144	140.5 Å²	140.5	87%	0.873	80%	0.802	S	S	*	*				175.6	152	110.7	152.2	0	0	0	0	110
549	S	27.2	Very low	29.7	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	80%	0.797	S	S	*	*			trans	-123.6	161.2	-174.9	54.3	0	0	0	0	113.5
550	R	28	Very low	29.5	Very low	237 Å²	237	140.6 Å²	140.6	89%	0.894	80%	0.798	S	S	*	*			trans	130.6	159.2	164.6	-76	170	76.6	154.9	5.8	113
551	L	25.7	Very low	29.2	Very low	153 Å²	153	141.1 Å²	141.1	80%	0.801	79%	0.79	S	S	*	*			cis	178.6	127.7	-47.3	-112.9	169.4	0	0	0	110.7
552	S	28.5	Very low	29.5	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	78%	0.776	S	S	*	*			trans	66	-173.8	145	-153.2	0	0	0	0	120.7
553	I	27.9	Very low	29.7	Very low	154 Å²	154	138.4 Å²	138.4	79%	0.79	78%	0.776	S	S	*	*			trans	87	134.5	-167.8	-59.6	173.2	0	0	0	112.6
554	C	26.2	Very low	29.6	Very low	116 Å²	116	135.4 Å²	135.4	78%	0.784	78%	0.775	S	S	*	*			cis	-171.7	173.1	-18.4	-98.7	0	0	0	0	107.5
555	A	31.4	Very low	29.2	Very low	82 Å²	82	134.7 Å²	134.7	68%	0.678	77%	0.773	S	S	*	*			cis	-176.6	-170.3	-25.1	0	0	0	0	0	109.1
556	K	30	Very low	29.4	Very low	199 Å²	199	135.4 Å²	135.4	87%	0.865	77%	0.771	S	S	*	*			trans	88.6	126	175.4	-56.9	179.6	-179.4	179.8	0	115.2
557	V	30.7	Very low	29.6	Very low	131 Å²	131	136.2 Å²	136.2	79%	0.794	77%	0.771	S	S	*	*				76.3	121.6	53.5	176.3	0	0	0	0	110
558	Q	31.7	Very low	30.3	Very low	194 Å²	194	137.1 Å²	137.1	91%	0.907	77%	0.774	S	S	*	*				-150.6	-168.2	59.4	-154.9	158.7	-21.4	0	0	115.3
559	Q	34.9	Very low	30.4	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.752	76%	0.764	S	S	*	*			trans	-121.8	179.4	-163.6	179.4	178.2	-7.9	0	0	112.7
560	V	28.3	Very low	30.5	Very low	123 Å²	123	138.5 Å²	138.5	75%	0.745	77%	0.77	S	S	*	*			trans	101.6	112.1	170.6	-177.5	0	0	0	0	112.5
561	Q	32.8	Very low	30.4	Very low	131 Å²	131	135.1 Å²	135.1	61%	0.612	77%	0.769	S	S	*	*			cis	85.5	115.5	33.6	-155.1	-174.8	-3.6	0	0	112
562	Y	32.3	Very low	30.4	Very low	167 Å²	167	131 Å²	131	66%	0.655	76%	0.763	S	S	*	*				-175.7	135.8	96.1	-119	-108.9	0	0	0	113.7
563	Q	34.1	Very low	30.4	Very low	167 Å²	167	134 Å²	134	78%	0.78	77%	0.765	S	S	*	*			trans	50	163.6	140.6	-64.6	-173.6	-10.9	0	0	122
564	A	29.6	Very low	30.3	Very low	79 Å²	79	133 Å²	133	65%	0.653	76%	0.761	S	S	*	*			cis	-149	158.1	13.7	0	0	0	0	0	115.4
565	S	29.6	Very low	30.3	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	76%	0.762	S	S	*	*			trans	32.5	121.7	149.8	50.9	0	0	0	0	121.7
566	A	29	Very low	30	Very low	94 Å²	94	137.8 Å²	137.8	78%	0.777	77%	0.766	S	S	*	*				80.4	113.3	61.1	0	0	0	0	0	113.8
567	A	30	Very low	29.8	Very low	96 Å²	96	133.2 Å²	133.2	79%	0.793	76%	0.759	S	S	*	*				70.6	131.1	86	0	0	0	0	0	114.1
568	P	41.3	Very low	29.6	Very low	131 Å²	131	131.6 Å²	131.6	85%	0.851	75%	0.754	S	S	*	*				-151.8	-149.1	81.2	40.8	-20.1	0	0	0	113.6
569	A	28.6	Very low	29.2	Very low	81 Å²	81	128.9 Å²	128.9	67%	0.669	75%	0.75	S	S	*	*				-172.7	170.1	-77.9	0	0	0	0	0	111.2
570	K	30.7	Very low	28.7	Very low	195 Å²	195	125.8 Å²	125.8	85%	0.848	75%	0.746	S	S	*	*			trans	67.4	173.8	168.3	-59.1	171.5	169.8	-178	0	114.5
571	L	26.2	Very low	28.5	Very low	165 Å²	165	128.4 Å²	128.4	86%	0.864	75%	0.75	S	S	*	*			cis	-145.3	155.4	3.4	-161.7	63.4	0	0	0	108.9
572	G	25.4	Very low	28.1	Very low	66 Å²	66	131 Å²	131	68%	0.68	76%	0.76	S	S	*	*				136.7	166.7	101.3	0	0	0	0	0	113.3
573	Q	27.5	Very low	27.7	Very low	174 Å²	174	130.3 Å²	130.3	81%	0.813	76%	0.76	S	S	*	*			trans	-137.3	167.4	-167.6	-62.6	-179.8	-38.9	0	0	113.5
574	N	26.6	Very low	27.6	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	76%	0.757	S	S	*	*			trans	76.7	139.6	160.3	-50.9	-39.3	0	0	0	115.1
575	L	25.3	Very low	27.4	Very low	152 Å²	152	130.2 Å²	130.2	80%	0.796	76%	0.756	S	S	*	*				-153.7	154.7	55.4	-88.4	162.7	0	0	0	115.4
576	L	25.2	Very low	27.2	Very low	145 Å²	145	129.6 Å²	129.6	76%	0.759	75%	0.747	S	S	*	*			trans	70.1	118.4	151.1	-65.3	162.7	0	0	0	121.8
577	S	25.8	Very low	27.1	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	75%	0.749	S	S	*	*				48.8	148.6	121.3	-49.7	0	0	0	0	123
578	S	26.6	Very low	26.7	Very low	98 Å²	98	135.1 Å²	135.1	69%	0.685	75%	0.75	S	S	*	*			cis	177.8	125.9	-29.8	49.1	0	0	0	0	110.4
579	V	24.1	Very low	26	Very low	136 Å²	136	134.9 Å²	134.9	82%	0.824	75%	0.746	S	S	*	*			trans	67.6	140.1	147.6	179.7	0	0	0	0	120.7
580	S	23.7	Very low	26.5	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	75%	0.748	S	S	*	*			trans	91.9	135.1	152	-96.8	0	0	0	0	123.6
581	Q	25.1	Very low	26.2	Very low	177 Å²	177	132 Å²	132	83%	0.827	74%	0.743	S	S	*	*			trans	70.4	167.2	150	-64.9	174.7	32.6	0	0	119
582	K	23	Very low	26	Very low	187 Å²	187	130.4 Å²	130.4	81%	0.813	74%	0.74	S	S	*	*			cis	162.9	103.8	-45.1	176	-173.7	-177.5	-172.8	0	109.5
583	K	24.9	Very low	26.6	Very low	151 Å²	151	132.4 Å²	132.4	66%	0.657	74%	0.741	S	S	*	*			trans	61	177.3	171.7	-98	-166.1	174.5	-170	0	115.9	E585	K583-E585 WeakPolarHBondContact CE-OE1 3.27Å; K583-E585 WeakPolarHBondContact CE-OE2 3.38Å; K583-E585 IonicContact NZ-OE1 2.71Å; K583-E585 PolarHBondContact NZ-OE1 3.41Å; K583-E585 IonicContact NZ-OE2 3.89Å; K583-E585 PolarHBondContact NZ-OE2 3.24Å
584	P	32.1	Very low	26.4	Very low	111 Å²	111	129.8 Å²	129.8	72%	0.721	74%	0.737	S	S	*	*			cis	-100.6	176.6	-4.2	41.4	-31.9	0	0	0	112.7
585	E	24.8	Very low	26.3	Very low	134 Å²	134	130.6 Å²	130.6	63%	0.626	74%	0.741	S	S	*	*			cis	70.9	134.2	37.1	-126.6	161	-128.2	0	0	111.9	K583	K583-E585 WeakPolarHBondContact CE-OE1 3.27Å; K583-E585 WeakPolarHBondContact CE-OE2 3.38Å; K583-E585 IonicContact NZ-OE1 2.71Å; K583-E585 PolarHBondContact NZ-OE1 3.41Å; K583-E585 IonicContact NZ-OE2 3.89Å; K583-E585 PolarHBondContact NZ-OE2 3.24Å
586	T	26	Very low	26.3	Very low	93 Å²	93	131.5 Å²	131.5	57%	0.571	74%	0.738	S	S	*	*				-174.9	142.5	59.6	-64.4	0	0	0	0	112.8
587	Q	25.2	Very low	26.3	Very low	174 Å²	174	131 Å²	131	81%	0.813	74%	0.736	S	S	*	*			trans	62.1	163.1	159.1	-70.5	160.1	15.1	0	0	118.4
588	T	23.5	Very low	26.3	Very low	132 Å²	132	132.4 Å²	132.4	81%	0.81	74%	0.735	S	S	*	*			cis	-143.9	177.5	24.2	-35.9	0	0	0	0	113.9
589	V	25.4	Very low	26.2	Very low	127 Å²	127	135.9 Å²	135.9	77%	0.77	74%	0.741	S	S	*	*			trans	-116	169.2	-173.8	171.2	0	0	0	0	108.8
590	P	39.4	Very low	26.2	Very low	108 Å²	108	134.6 Å²	134.6	70%	0.701	73%	0.732	S	S	*	*			cis	-124	-165.5	-11.3	24.1	1.3	0	0	0	114.2
591	S	24.6	Very low	26.3	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	74%	0.741	S	S	*	*			trans	120.6	123.4	132.7	-61.7	0	0	0	0	120.4
592	T	21.9	Very low	27.3	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	74%	0.739	S	S	*	*			trans	-69.5	171.7	152.1	50.2	0	0	0	0	111.3
593	P	38.7	Very low	27.4	Very low	109 Å²	109	132.6 Å²	132.6	71%	0.708	74%	0.739	S	S	*	*			cis	-149.8	177.4	23.1	45	-24.3	0	0	0	119.2
594	T	22.2	Very low	27.5	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.724	75%	0.746	S	S	*	*			trans	48.8	105.5	135.9	-60.1	0	0	0	0	122.7
595	L	25.6	Very low	27.3	Very low	152 Å²	152	135.1 Å²	135.1	80%	0.796	75%	0.748	S	S	*	*				61.7	151.7	118.8	-152.7	78.8	0	0	0	122
596	K	25.1	Very low	27.4	Very low	171 Å²	171	132.9 Å²	132.9	74%	0.743	75%	0.752	S	S	*	*			trans	90.7	144.3	169	-55.5	171.2	-174.8	171.7	0	114.2
597	N	25.8	Very low	27.6	Very low	135 Å²	135	138.7 Å²	138.7	72%	0.722	77%	0.765	S	S	*	*			cis	-155	-178.2	-10.7	-121.1	-7.5	0	0	0	112.1
598	L	24.6	Very low	27.6	Very low	133 Å²	133	138 Å²	138	70%	0.696	77%	0.766	S	S	*	*			trans	-7.9	124.9	167.7	-76.9	64	0	0	0	116.8
599	Q	24.9	Very low	27.8	Very low	171 Å²	171	137.6 Å²	137.6	80%	0.799	77%	0.769	S	S	*	*				75.5	135.6	57.6	-160.4	-156.8	-6.8	0	0	114.1
600	V	23.6	Very low	28	Very low	108 Å²	108	137.2 Å²	137.2	66%	0.655	77%	0.771	S	S	*	*			trans	86.3	99.2	166.7	-158.5	0	0	0	0	118.4
601	Y	25.8	Very low	27.5	Very low	221 Å²	221	138 Å²	138	87%	0.867	77%	0.773	S	S	*	*				19.8	171.7	113.1	-77	-79	0	0	0	121.8
602	P	47	Very low	27.9	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	78%	0.775	S	S	*	*			cis	-128.8	-178.6	-16.8	33	-13.3	0	0	0	113.9
603	G	24.1	Very low	28.2	Very low	77 Å²	77	139.7 Å²	139.7	79%	0.794	77%	0.774	S	S	*	*			trans	178.9	63.8	174	0	0	0	0	0	119.6
604	Q	27.8	Very low	27.8	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	78%	0.78	S	S	*	*			trans	5	150	161.6	-66.8	-174.6	-10.9	0	0	124.4
605	N	27	Very low	28.2	Very low	140 Å²	140	137.5 Å²	137.5	75%	0.749	78%	0.775	S	S	*	*			trans	92.6	91.2	146.5	-63.3	-22.3	0	0	0	122.6
606	A	28.1	Very low	28.5	Very low	88 Å²	88	135 Å²	135	73%	0.727	78%	0.777	S	S	*	*				99	159.4	108.2	0	0	0	0	0	122.2
607	Y	28.5	Very low	28.8	Very low	215 Å²	215	132.7 Å²	132.7	84%	0.843	78%	0.777	S	S	*	*			trans	83.7	115.2	169.6	-85.2	-90.1	0	0	0	121.7
608	L	26	Very low	29	Very low	159 Å²	159	133 Å²	133	83%	0.832	78%	0.777	S	S	*	*			trans	33.6	115.9	148	-63.8	175	0	0	0	121.1
609	S	26.8	Very low	29.2	Very low	123 Å²	123	136.2 Å²	136.2	86%	0.86	79%	0.788	S	S	*	*			trans	-154.8	161.8	131.5	-164.4	0	0	0	0	111.9
610	C	29.5	Very low	29.5	Very low	120 Å²	120	133.9 Å²	133.9	81%	0.811	79%	0.785	S	S	*	*			trans	-72.8	151.2	-167.7	-56.5	0	0	0	0	114.9
611	V	30.3	Very low	29.8	Very low	125 Å²	125	132.1 Å²	132.1	76%	0.758	79%	0.789	S	S	*	*			trans	-102.2	131.8	169.6	175.4	0	0	0	0	110.5
612	P	33.2	Very low	30	Very low	121 Å²	121	127.4 Å²	127.4	79%	0.786	79%	0.788	S	S	*	*			trans	-112.6	131.6	142.3	-1.2	21.7	0	0	0	110.2	G614	P612-G614 PolarHBondContact O-N 3.45Å
613	L	28.4	Very low	29.5	Very low	151 Å²	151	127 Å²	127	79%	0.791	78%	0.78	S	S	*	*			trans	-83.3	112	-177.1	-158.4	76	0	0	0	110.8	T615	L613-T615 PolarHBondContact O-N 3.45Å
614	G	29.8	Very low	29.7	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	78%	0.78	S	S	*	*			trans	-93.3	87.1	177.3	0	0	0	0	0	112.5	P612	P612-G614 PolarHBondContact O-N 3.45Å
615	T	31.3	Very low	29.8	Very low	102 Å²	102	130.9 Å²	130.9	63%	0.626	78%	0.781	S	S	*	*			trans	-87.6	110.5	-174.4	-40.7	0	0	0	0	112.5	L613 V617	L613-T615 PolarHBondContact O-N 3.45Å; T615-V617 HydrophobicContact CG2-CG2 3.79Å
616	A	31.8	Very low	29.8	Very low	100 Å²	100	132.1 Å²	132.1	83%	0.826	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-96.4	122	160.7	0	0	0	0	0	108.9
617	V	30.2	Very low	29.9	Very low	122 Å²	122	135.2 Å²	135.2	74%	0.739	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-97.8	135	-167.8	172.5	0	0	0	0	111.3	T615 E619	T615-V617 HydrophobicContact CG2-CG2 3.79Å; V617-E619 PolarHBondContact O-N 2.98Å
618	I	30.7	Very low	29.9	Very low	141 Å²	141	132.8 Å²	132.8	72%	0.723	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.1	124.1	167	-55.2	172.4	0	0	0	107.9	V620	I618-V620 VanDerWaalsContact C-N 3.3Å; I618-V620 HydrophobicContact CB-CG2 4.44Å; I618-V620 HydrophobicContact CG2-CG2 3.93Å; I618-V620 PolarHBondContact O-N 3.46Å
619	E	27.8	Very low	30.1	Very low	201 Å²	201	130.9 Å²	130.9	94%	0.939	79%	0.787	S	S	*	*			trans	-73.6	80.8	-178.6	-166	168.5	-139.9	0	0	111.6	V617	V617-E619 PolarHBondContact O-N 2.98Å
620	V	31.7	Very low	30.2	Very low	122 Å²	122	134.2 Å²	134.2	74%	0.739	79%	0.789	S	S	*	*			trans	-95.2	126	172.8	-178.8	0	0	0	0	109.2	I618	I618-V620 VanDerWaalsContact C-N 3.3Å; I618-V620 HydrophobicContact CB-CG2 4.44Å; I618-V620 HydrophobicContact CG2-CG2 3.93Å; I618-V620 PolarHBondContact O-N 3.46Å
621	G	30	Very low	30.1	Very low	71 Å²	71	132 Å²	132	73%	0.732	79%	0.787	S	S	*	*			trans	-61.5	142.4	-179.4	0	0	0	0	0	113.8	D623	G621-D623 PolarHBondContact O-N 2.98Å
622	S	30.4	Very low	30.2	Very low	122 Å²	122	133.4 Å²	133.4	85%	0.853	79%	0.785	S	S	*	*	S	Bend	trans	-79	106.3	-176.1	56.4	0	0	0	0	113.4
623	D	35.3	Very low	29.9	Very low	113 Å²	113	136.6 Å²	136.6	60%	0.604	79%	0.787	S	S	*	*			trans	-159.7	45.4	161.2	-142.9	19.7	0	0	0	113.5	G621 R690	G621-D623 PolarHBondContact O-N 2.98Å; D623-R690 IonicContact OD2-CZ 3.49Å; D623-R690 IonicContact OD2-NH1 2.8Å; D623-R690 PolarHBondContact OD2-NH1 3.36Å; D623-R690 IonicContact OD2-NH2 2.78Å; D623-R690 PolarHBondContact OD2-NH2 3.29Å
624	L	29.2	Very low	30.6	Very low	153 Å²	153	134.9 Å²	134.9	80%	0.801	79%	0.785	S	S	*	*			trans	-154.9	115.3	173	-125.4	157.1	0	0	0	114.7	L626	L624-L626 HydrophobicContact CD2-CG 4.32Å
625	H	30.4	Very low	30.5	Very low	180 Å²	180	138.7 Å²	138.7	83%	0.833	79%	0.785	S	S	*	*			trans	-110.4	135.3	164.6	-91.3	-95.2	0	0	0	109.7
626	L	27.6	Very low	30.2	Very low	165 Å²	165	139.4 Å²	139.4	86%	0.864	79%	0.794	S	S	*	*			trans	-116.6	137.1	162.7	-84	167	0	0	0	109	L624	L624-L626 HydrophobicContact CD2-CG 4.32Å
627	I	28.9	Very low	30.1	Very low	153 Å²	153	138.7 Å²	138.7	79%	0.785	79%	0.788	S	S	*	*			trans	-114.2	124.1	-177.1	-59.1	173.2	0	0	0	108.8
628	L	27.9	Very low	30	Very low	164 Å²	164	138.9 Å²	138.9	86%	0.859	79%	0.79	S	S	*	*			trans	-133.7	150.5	157.1	-79.6	177.4	0	0	0	109.4
629	P	30.6	Very low	30	Very low	119 Å²	119	137.3 Å²	137.3	77%	0.773	79%	0.791	S	S	*	*			trans	-88.7	159.8	-158.2	34.6	-37.2	0	0	0	114.5
630	Q	29.4	Very low	30	Very low	193 Å²	193	132.5 Å²	132.5	90%	0.902	78%	0.78	S	S	*	*			trans	-121	153.5	166.1	-72.4	-173.9	-14.6	0	0	111.1
631	G	28.1	Very low	29.8	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	78%	0.784	S	S	*	*			trans	-99.3	152.1	170.3	0	0	0	0	0	112.2
632	H	30.8	Very low	29.5	Very low	155 Å²	155	134.2 Å²	134.2	72%	0.718	79%	0.786	S	S	*	*			trans	-70.5	165	170.6	-73.9	-111.4	0	0	0	110.7
633	F	28.1	Very low	30.1	Very low	188 Å²	188	133.7 Å²	133.7	83%	0.825	78%	0.78	S	S	*	*				-168.8	176.5	53.2	-81.4	-85.2	0	0	0	110.5
634	P	42.1	Very low	29.7	Very low	115 Å²	115	134.7 Å²	134.7	75%	0.747	79%	0.79	S	S	*	*			cis	-124.9	-168.6	-13.4	25	-1.5	0	0	0	113.2
635	L	29.2	Very low	29.6	Very low	160 Å²	160	132.1 Å²	132.1	84%	0.838	79%	0.785	S	S	*	*			trans	-124.8	165.6	-176.6	-68.5	167.9	0	0	0	113.1
636	S	25.1	Very low	29.5	Very low	116 Å²	116	128 Å²	128	81%	0.811	78%	0.776	S	S	*	*			trans	-155.2	115.6	148.6	-86.9	0	0	0	0	107.5
637	A	29.1	Very low	29.4	Very low	86 Å²	86	126.2 Å²	126.2	71%	0.711	77%	0.772	S	S	*	*				87.9	136.6	83.5	0	0	0	0	0	112.3
638	T	27.5	Very low	29.3	Very low	125 Å²	125	126.5 Å²	126.5	77%	0.767	77%	0.774	S	S	*	*			cis	-167.8	155.7	-0.9	13	0	0	0	0	110.6
639	S	30.3	Very low	29.4	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	77%	0.769	S	S	*	*			trans	57.1	152	150.4	55.5	0	0	0	0	121.7
640	S	27.7	Very low	30.1	Very low	101 Å²	101	123.9 Å²	123.9	71%	0.706	77%	0.765	S	S	*	*			cis	-172.8	167.8	-19.1	53.9	0	0	0	0	112
641	S	27.6	Very low	30	Very low	116 Å²	116	121 Å²	121	81%	0.811	76%	0.76	S	S	*	*			trans	73.9	145.1	153	45.3	0	0	0	0	122.9
642	S	24.4	Very low	29.9	Very low	113 Å²	113	122.6 Å²	122.6	79%	0.79	76%	0.759	S	S	*	*			trans	-81	-164.6	-178.3	-35.5	0	0	0	0	113.2
643	P	43.7	Very low	29.7	Very low	110 Å²	110	126.1 Å²	126.1	71%	0.714	77%	0.766	S	S	*	*			cis	-146.2	171.8	4.4	44.5	-24.4	0	0	0	119.8
644	V	25.6	Very low	29.6	Very low	134 Å²	134	123.8 Å²	123.8	81%	0.812	77%	0.767	S	S	*	*			trans	42.1	124.4	134.5	177.8	0	0	0	0	122.4
645	S	27.6	Very low	28.8	Very low	99 Å²	99	126.5 Å²	126.5	69%	0.692	77%	0.77	S	S	*	*				152	136	111.4	-148.9	0	0	0	0	119.9
646	S	28.2	Very low	29.4	Very low	93 Å²	93	124.8 Å²	124.8	65%	0.65	77%	0.768	S	S	*	*			trans	50.6	117.9	135.2	64.8	0	0	0	0	127.3
647	V	26.3	Very low	29.4	Very low	128 Å²	128	126.5 Å²	126.5	78%	0.776	77%	0.768	S	S	*	*				50.4	127.7	114	-176.8	0	0	0	0	121.8
648	L	25.7	Very low	30.4	Very low	159 Å²	159	127.3 Å²	127.3	83%	0.832	77%	0.766	S	S	*	*				-172.7	166.4	121.3	-101.2	173.1	0	0	0	115
649	T	29.7	Very low	30.3	Very low	122 Å²	122	127.4 Å²	127.4	75%	0.748	77%	0.767	S	S	*	*			trans	-108	-162.5	-178.3	50.1	0	0	0	0	109.9
650	P	45.8	Very low	30.2	Very low	106 Å²	106	125.9 Å²	125.9	69%	0.688	76%	0.761	S	S	*	*			cis	-154.8	-165.5	15.8	45.6	-21.6	0	0	0	119.7
651	V	27.1	Very low	30.1	Very low	134 Å²	134	127.3 Å²	127.3	81%	0.812	77%	0.765	S	S	*	*			trans	73.9	143.5	148.1	155.1	0	0	0	0	118
652	S	25.9	Very low	30.1	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	76%	0.764	S	S	*	*			cis	-149.3	-176.4	5.5	-141.7	0	0	0	0	116.2
653	R	27.8	Very low	30.3	Very low	229 Å²	229	134.3 Å²	134.3	86%	0.864	76%	0.763	S	S	*	*			trans	-84.7	168.6	-172.2	-50.6	163.1	175.9	168.5	-3.7	115.6
654	V	24.3	Very low	29.4	Very low	139 Å²	139	134.5 Å²	134.5	84%	0.842	76%	0.763	S	S	*	*				-177.7	165.7	115.3	147.6	0	0	0	0	112.3
655	H	25.2	Very low	29.4	Very low	173 Å²	173	134.5 Å²	134.5	80%	0.801	76%	0.763	S	S	*	*			trans	-108.2	-173.3	-177.6	-78.7	16	0	0	0	110.9
656	P	43.4	Very low	29.5	Very low	124 Å²	124	134.8 Å²	134.8	81%	0.805	77%	0.765	S	S	*	*			cis	-140.6	-174.8	7.3	40.3	-18.2	0	0	0	118.6
657	N	24.8	Very low	30.4	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	77%	0.768	S	S	*	*			trans	-56.6	-175.3	162	-111.8	-7.1	0	0	0	115
658	P	50.1	Low	30.6	Very low	104 Å²	104	134.2 Å²	134.2	68%	0.675	77%	0.77	S	S	*	*			cis	-128.8	-175.1	-3.9	29.1	-4.9	0	0	0	113.5
659	T	25.8	Very low	30.8	Very low	127 Å²	127	131 Å²	131	78%	0.779	77%	0.766	S	S	*	*				163.4	148	88.3	-58.5	0	0	0	0	106.5
660	A	27.4	Very low	30.8	Very low	76 Å²	76	132.2 Å²	132.2	63%	0.628	77%	0.774	S	S	*	*			cis	173.6	139.7	-23.7	0	0	0	0	0	106.9
661	V	26.6	Very low	30.1	Very low	131 Å²	131	132.6 Å²	132.6	79%	0.794	78%	0.778	S	S	*	*			trans	67.3	139.1	139.8	174.7	0	0	0	0	118.3
662	R	27	Very low	30.1	Very low	209 Å²	209	130.6 Å²	130.6	79%	0.789	78%	0.776	S	S	*	*			cis	-147.4	157.6	18.2	-139.9	156.4	-169.5	-179.8	3.3	108.1
663	Q	27.9	Very low	30.3	Very low	166 Å²	166	131.9 Å²	131.9	78%	0.776	77%	0.774	S	S	*	*			cis	92.5	146.1	17.6	-155	-171.3	23.2	0	0	115.8
664	T	24.4	Very low	30.7	Very low	115 Å²	115	127 Å²	127	71%	0.706	77%	0.772	S	S	*	*			trans	93	141.2	176.5	67.7	0	0	0	0	118.2
665	T	26.2	Very low	31	Very low	134 Å²	134	127.9 Å²	127.9	82%	0.822	77%	0.765	S	S	*	*			cis	-158.6	175.7	-29.4	6.3	0	0	0	0	112.6
666	S	30.2	Very low	31.2	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	77%	0.77	S	S	*	*			trans	-83.7	-170.6	176.1	63.8	0	0	0	0	112.7
667	P	46.6	Very low	30.5	Very low	110 Å²	110	135.2 Å²	135.2	71%	0.714	77%	0.771	S	S	*	*			cis	-149.3	172.7	26.1	45.6	-24.1	0	0	0	121.4
668	A	30.4	Very low	30.6	Very low	99 Å²	99	134 Å²	134	82%	0.818	77%	0.774	S	S	*	*			trans	27.7	157.4	137.4	0	0	0	0	0	123.4
669	A	30.9	Very low	29.8	Very low	91 Å²	91	134.5 Å²	134.5	75%	0.752	78%	0.776	S	S	*	*			cis	-130	-130.5	11.4	0	0	0	0	0	112.5
670	V	29.9	Very low	30	Very low	149 Å²	149	132.4 Å²	132.4	90%	0.903	77%	0.771	S	S	*	*			cis	-133.3	-131.2	7.8	-158	0	0	0	0	110.5
671	S	29.6	Very low	30.5	Very low	113 Å²	113	135 Å²	135	79%	0.79	78%	0.781	S	S	*	*			trans	-161.9	137.3	-173.8	174.7	0	0	0	0	114.2
672	A	28.8	Very low	30.7	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	78%	0.784	S	S	*	*			trans	-160.2	149.4	144.5	0	0	0	0	0	111
673	L	30.2	Very low	31	Very low	133 Å²	133	135.1 Å²	135.1	70%	0.696	79%	0.791	S	S	*	*			trans	-132	161.8	175	-124.3	87.4	0	0	0	107.7	K675	L673-K675 HydrophobicContact CD2-CD 4.21Å; L673-K675 HydrophobicContact CD2-CG 4.17Å
674	P	36.2	Very low	31.1	Very low	127 Å²	127	135 Å²	135	83%	0.825	79%	0.794	S	S	*	*				-136.1	172.2	55.2	36.9	-18.6	0	0	0	116.3
675	K	30.7	Very low	31.4	Very low	156 Å²	156	134 Å²	134	68%	0.678	80%	0.798	S	S	*	*			trans	-97	151.9	175.3	-58.9	156.7	-179.6	163.9	0	109.6	L673	L673-K675 HydrophobicContact CD2-CD 4.21Å; L673-K675 HydrophobicContact CD2-CG 4.17Å
676	Y	28.1	Very low	31.6	Very low	236 Å²	236	132.3 Å²	132.3	93%	0.925	80%	0.797	S	S	*	*				-135.1	133	125.2	-120.9	-88.1	0	0	0	109.8
677	R	29	Very low	31.9	Very low	215 Å²	215	133.3 Å²	133.3	81%	0.811	80%	0.801	S	S	*	*			trans	-100.9	142.3	167	-77.4	-179.1	172	176.6	-5	107.6
678	S	27.6	Very low	31.1	Very low	126 Å²	126	132.9 Å²	132.9	88%	0.881	81%	0.807	S	S	*	*			trans	-112.3	158.7	137.2	-164.4	0	0	0	0	108
679	T	31.7	Very low	31.1	Very low	115 Å²	115	140 Å²	140	71%	0.706	81%	0.813	S	S	*	*			trans	-126.3	149.6	-165	-43	0	0	0	0	110.2
680	A	31.4	Very low	31.1	Very low	82 Å²	82	145.5 Å²	145.5	68%	0.678	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-57.5	141.1	178.9	0	0	0	0	0	112.1	L682	A680-L682 PolarHBondContact O-N 2.57Å
681	P	37.8	Very low	31.3	Very low	131 Å²	131	144.7 Å²	144.7	85%	0.851	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-65.4	122.6	170.2	-18.1	31.7	0	0	0	110.6
682	L	30.7	Very low	31.2	Very low	163 Å²	163	144.4 Å²	144.4	85%	0.853	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.4	140.3	167.5	-78.9	168.1	0	0	0	110.1	A680	A680-L682 PolarHBondContact O-N 2.57Å
683	L	33	Very low	31.2	Very low	179 Å²	179	144.5 Å²	144.5	94%	0.937	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.2	137.8	171.8	-64.6	168.3	0	0	0	110.3
684	I	30.7	Very low	31.1	Very low	164 Å²	164	143.5 Å²	143.5	84%	0.841	82%	0.821	S	S	*	*			trans	-124.7	123.4	169.4	-62.9	-179.4	0	0	0	108.3
685	A	29.7	Very low	30.8	Very low	95 Å²	95	143.9 Å²	143.9	79%	0.785	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-85.9	146.3	175.1	0	0	0	0	0	111.5
686	A	30.6	Very low	30.7	Very low	97 Å²	97	139.9 Å²	139.9	80%	0.802	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-86.2	135.6	173.2	0	0	0	0	0	111.2
687	P	36.4	Very low	30.7	Very low	125 Å²	125	139 Å²	139	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-83.5	141.8	-175.4	32.2	-35.2	0	0	0	113.5
688	A	29	Very low	30.7	Very low	102 Å²	102	131.9 Å²	131.9	84%	0.843	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-79.2	153.4	172.5	0	0	0	0	0	112.5
689	R	31.8	Very low	30.8	Very low	247 Å²	247	132 Å²	132	93%	0.932	81%	0.814	S	S	*	*			trans	-112	112.8	171.5	-70.5	-176	175.8	-173.4	-0.8	110.9
690	R	30.1	Very low	30.6	Very low	208 Å²	208	131.8 Å²	131.8	79%	0.785	82%	0.817	S	S	*	*			trans	-97.2	135.4	158.4	-74.3	-174.9	176.5	-171.8	-0.8	108.5	D623	D623-R690 IonicContact OD2-CZ 3.49Å; D623-R690 IonicContact OD2-NH1 2.8Å; D623-R690 PolarHBondContact OD2-NH1 3.36Å; D623-R690 IonicContact OD2-NH2 2.78Å; D623-R690 PolarHBondContact OD2-NH2 3.29Å
691	P	33.7	Very low	30.6	Very low	131 Å²	131	134.2 Å²	134.2	85%	0.851	82%	0.823	S	S	*	*			trans	-82	152.9	166	33.4	-32.6	0	0	0	111.4
692	A	27.7	Very low	30.1	Very low	107 Å²	107	136.2 Å²	136.2	88%	0.884	82%	0.821	S	S	*	*			trans	-104.5	164.9	177.6	0	0	0	0	0	112.3
693	A	29.1	Very low	30	Very low	96 Å²	96	132.9 Å²	132.9	79%	0.793	81%	0.811	S	S	*	*			trans	-115.4	160.3	-177.1	0	0	0	0	0	112.8
694	S	28.1	Very low	29.7	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	80%	0.803	S	S	*	*			trans	-143.3	117.6	172.2	-67.1	0	0	0	0	112.4
695	T	28.9	Very low	29.5	Very low	136 Å²	136	129.2 Å²	129.2	83%	0.834	80%	0.804	S	S	*	*			trans	18.5	146.6	131.1	48.9	0	0	0	0	120.8
696	A	29.8	Very low	29.3	Very low	71 Å²	71	127.4 Å²	127.4	59%	0.587	80%	0.795	S	S	*	*			cis	-170.1	-173.3	1.7	0	0	0	0	0	111.9
697	F	28.7	Very low	29.1	Very low	217 Å²	217	130.2 Å²	130.2	95%	0.952	80%	0.795	S	S	*	*			trans	73.4	147.6	173.4	-52.7	-84	0	0	0	116.7
698	G	27.1	Very low	28.8	Very low	67 Å²	67	129.1 Å²	129.1	69%	0.691	79%	0.79	S	S	*	*			cis	165.7	104.4	-10.4	0	0	0	0	0	115.6
699	S	30.1	Very low	28.8	Very low	129 Å²	129	130.4 Å²	130.4	90%	0.902	79%	0.787	S	S	*	*			trans	70.5	142.1	155.2	-56.3	0	0	0	0	122.6
700	S	29.1	Very low	28.6	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	78%	0.778	S	S	*	*			trans	110	109.3	134.6	-145.8	0	0	0	0	121.6
701	V	29.3	Very low	28.6	Very low	133 Å²	133	117.6 Å²	117.6	81%	0.806	77%	0.773	S	S	*	*			trans	66	134.9	132.6	-178.9	0	0	0	0	123.2
702	Q	28.8	Very low	28.6	Very low	173 Å²	173	120.4 Å²	120.4	81%	0.808	78%	0.775	S	S	*	*			trans	-46.1	152.2	172.6	-70.3	168.9	-26.4	0	0	121.3
703	S	28.1	Very low	28.7	Very low	94 Å²	94	119.1 Å²	119.1	66%	0.657	76%	0.764	S	S	*	*				79.9	110.7	127.6	-69.2	0	0	0	0	125.4
704	T	25.9	Very low	28.9	Very low	124 Å²	124	120.9 Å²	120.9	76%	0.761	77%	0.765	S	S	*	*				74.4	146	123.4	63.9	0	0	0	0	123.6
705	V	26.9	Very low	29.1	Very low	142 Å²	142	120.4 Å²	120.4	86%	0.861	76%	0.757	S	S	*	*			trans	66.5	133.4	168.6	-162	0	0	0	0	114.3
706	G	25.8	Very low	29.4	Very low	57 Å²	57	121.9 Å²	121.9	59%	0.588	75%	0.754	S	S	*	*			cis	146.1	178.9	10.7	0	0	0	0	0	108.3
707	I	27.3	Very low	29.4	Very low	156 Å²	156	124.2 Å²	124.2	80%	0.8	76%	0.762	S	S	*	*			trans	73.1	115.9	176	-50.2	175.1	0	0	0	112
708	S	29.4	Very low	29.5	Very low	101 Å²	101	118.4 Å²	118.4	71%	0.706	75%	0.753	S	S	*	*				74.8	144.3	59.5	-56.5	0	0	0	0	112.6
709	T	28.1	Very low	29.8	Very low	129 Å²	129	122.2 Å²	122.2	79%	0.791	76%	0.763	S	S	*	*			cis	-164.3	170.1	5.5	-1.9	0	0	0	0	110.7
710	A	29.6	Very low	30	Very low	89 Å²	89	125.7 Å²	125.7	74%	0.736	76%	0.762	S	S	*	*			trans	69	163.2	152.4	0	0	0	0	0	118.9
711	S	29.5	Very low	30.3	Very low	98 Å²	98	125.9 Å²	125.9	69%	0.685	76%	0.76	S	S	*	*			cis	-168.6	141.2	-32.4	-93.9	0	0	0	0	110.8
712	Q	32.2	Very low	30.2	Very low	190 Å²	190	127.4 Å²	127.4	89%	0.888	76%	0.763	S	S	*	*			trans	61.4	169.3	158.7	-61.9	172	6.3	0	0	118
713	A	31.4	Very low	30.4	Very low	80 Å²	80	125.2 Å²	125.2	66%	0.661	76%	0.764	S	S	*	*			cis	-169.2	171.4	-49.2	0	0	0	0	0	109.1
714	V	31.8	Very low	30.6	Very low	133 Å²	133	127.2 Å²	127.2	81%	0.806	77%	0.772	S	S	*	*			trans	69.1	130.4	158.1	170.8	0	0	0	0	116.8
715	T	32.8	Very low	31	Very low	100 Å²	100	131 Å²	131	61%	0.613	78%	0.778	S	S	*	*			cis	-164.7	151.6	-7.8	22.2	0	0	0	0	112.2
716	Q	35.4	Very low	31.3	Very low	167 Å²	167	136 Å²	136	78%	0.78	78%	0.782	S	S	*	*			trans	65.5	150.8	144.8	-67	176	38.6	0	0	119.4
717	T	29.3	Very low	31.5	Very low	121 Å²	121	143.3 Å²	143.3	74%	0.742	80%	0.797	S	S	*	*			cis	-155.5	151.7	-2.8	-1.2	0	0	0	0	111.7
718	A	32.3	Very low	31.6	Very low	94 Å²	94	143.9 Å²	143.9	78%	0.777	80%	0.801	S	S	*	*			trans	48.8	139.9	157.8	0	0	0	0	0	119.9
719	V	32	Very low	31.7	Very low	147 Å²	147	148.1 Å²	148.1	89%	0.891	81%	0.806	S	S	*	*			cis	-135.8	-179.8	46.9	169	0	0	0	0	111.9
720	K	34.6	Very low	32	Very low	202 Å²	202	150.8 Å²	150.8	88%	0.878	81%	0.81	S	S	*	*			trans	-84.6	167.6	-159.6	-85.1	-175.4	175.5	178	0	116.9
721	P	36	Very low	32.2	Very low	113 Å²	113	155.1 Å²	155.1	73%	0.734	82%	0.815	S	S	*	*			trans	-121.8	175.1	-144.7	44.2	-35.6	0	0	0	117.3
722	L	27.1	Very low	32.1	Very low	166 Å²	166	155.8 Å²	155.8	87%	0.869	82%	0.82	S	S	*	*			trans	-132.3	127.2	155.3	-83.5	168.7	0	0	0	110.1
723	P	33	Very low	32.6	Very low	127 Å²	127	156.2 Å²	156.2	83%	0.825	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-87.9	150.2	-174.1	33.6	-34.8	0	0	0	114.5
724	V	33.1	Very low	33	Very low	135 Å²	135	156.6 Å²	156.6	82%	0.818	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-96.3	143.1	-167.9	176.5	0	0	0	0	113.4	R726	V724-R726 PolarHBondContact O-N 3.12Å
725	K	32.9	Very low	33.7	Very low	205 Å²	205	154.9 Å²	154.9	89%	0.891	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-56.9	123.4	171.9	-64.7	179.7	179.1	178.9	0	111.2
726	R	33	Very low	34.9	Very low	247 Å²	247	162.1 Å²	162.1	93%	0.932	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-84.7	149.7	169.5	-85	-174.4	161.1	110.7	-2.7	111.4	V724	V724-R726 PolarHBondContact O-N 3.12Å
727	K	31.3	Very low	36.6	Very low	209 Å²	209	158.6 Å²	158.6	91%	0.909	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-68.7	147.2	-170.3	-67.7	-178.5	177.1	-177.5	0	112.9
728	L	29.7	Very low	39.2	Very low	168 Å²	168	157.9 Å²	157.9	88%	0.88	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62.2	135.8	172.3	-178.4	64.7	0	0	0	110.9
729	K	31.7	Very low	41.9	Very low	190 Å²	190	153.4 Å²	153.4	83%	0.826	78%	0.777	S	S	*	*			trans	-90.1	112	168.9	-174.2	178.4	-179.3	-177.9	0	108.5	Q731	K729-Q731 PolarHBondContact O-N 3.22Å
730	Q	33.4	Very low	44.8	Very low	185 Å²	185	149.1 Å²	149.1	86%	0.864	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-66.1	118.4	179.8	-169.7	172.7	3.5	0	0	110.2
731	Q	33.1	Very low	47.4	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-100.2	137.1	160.2	-75.8	-177.4	-44.1	0	0	107.8	K729	K729-Q731 PolarHBondContact O-N 3.22Å
732	S	29.1	Very low	50	Low	112 Å²	112	145.3 Å²	145.3	78%	0.783	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-84.9	125.5	174.9	51.8	0	0	0	0	110.3	A734	S732-A734 PolarHBondContact O-N 2.83Å; S732-A734 VanDerWaalsContact O-N 3.1Å
733	E	42.7	Very low	53.1	Low	199 Å²	199	138.9 Å²	138.9	93%	0.93	70%	0.699	S	S	*	*			trans	-70.3	101.9	169	-68.9	-178.7	104.7	0	0	110.2
734	A	39.8	Very low	56.1	Low	88 Å²	88	134.4 Å²	134.4	73%	0.727	67%	0.665	S	S	*	*			trans	-75.8	138.1	161.1	0	0	0	0	0	109	S732 R736	S732-A734 PolarHBondContact O-N 2.83Å; S732-A734 VanDerWaalsContact O-N 3.1Å; A734-R736 PolarHBondContact O-N 2.81Å
735	A	45.7	Very low	59	Low	97 Å²	97	131 Å²	131	80%	0.802	64%	0.641	S	S	*	*			trans	-59	134.8	179.9	0	0	0	0	0	111.1	D737	A735-D737 PolarHBondContact O-N 2.78Å
736	R	56.8	Low	61.9	Low	251 Å²	251	129.2 Å²	129.2	95%	0.947	63%	0.628	S	S	*	*			trans	-75.7	97	174.3	-66.8	-173.5	-178.9	-164.1	1.1	109.2	A734	A734-R736 PolarHBondContact O-N 2.81Å
737	D	71.7	Confident	64.9	Low	93 Å²	93	118.5 Å²	118.5	50%	0.497	59%	0.588	S	S	.	*			trans	-50.8	142.9	172.7	-98.7	-34.1	0	0	0	111.8	A735 V739 R744 Y777	A735-D737 PolarHBondContact O-N 2.78Å; D737-V739 PolarHBondContact O-N 2.94Å; D737-R744 IonicContact OD1-NH2 2.9Å; D737-R744 IonicContact OD2-CZ 2.65Å; D737-R744 IonicContact OD2-NH1 3.61Å; D737-R744 IonicContact OD2-NH2 3.62Å; D737-R744 PolarHBondContact OD2-NH2 2.93Å; D737-Y777 PolarHBondContact OD1-OH 3.39Å
738	K	85.2	Confident	68	Low	107 Å²	107	108.7 Å²	108.7	47%	0.465	55%	0.546	S	S	.	.	S	Bend	trans	-57.4	-26.8	-178.6	-61.5	177.1	175.9	178.7	0	113.1	Y777 S780	K738-Y777 HydrophobicContact CB-CE2 3.9Å; K738-Y777 PolarHBondContact N-OH 3.32Å; K738-S780 PolarHBondContact NZ-O 2.61Å
739	V	88.2	Confident	71.1	Confident	0 Å²	0	104.3 Å²	104.3	0%	0	52%	0.523	C	S	.	.	S	Bend	trans	-141.7	127	-177.1	-171.8	0	0	0	0	108.2	D737 V743 R744 Y777 Y786	D737-V739 PolarHBondContact O-N 2.94Å; V739-V743 HydrophobicContact CG1-CB 4Å; V739-V743 HydrophobicContact CG1-CG1 3.89Å; V739-R744 HydrophobicContact CB-CG 4.14Å; V739-R744 HydrophobicContact CG1-CG 3.89Å; V739-R744 PolarHBondContact O-NE 3.36Å; V739-R744 PolarHBondContact O-NH2 2.88Å; V739-Y777 HydrophobicContact CB-CD2 4.13Å; V739-Y777 HydrophobicContact CB-CE2 3.81Å; V739-Y777 HydrophobicContact CG2-CD2 3.83Å; V739-Y777 HydrophobicContact CG2-CE2 3.7Å; V739-Y786 HydrophobicContact CB-CD2 4.48Å; V739-Y786 HydrophobicContact CB-CG 4.37Å; V739-Y786 HydrophobicContact CG1-CD1 3.78Å; V739-Y786 HydrophobicContact CG1-CD2 4.3Å; V739-Y786 HydrophobicContact CG1-CE1 4.17Å; V739-Y786 HydrophobicContact CG1-CG 3.89Å; V739-Y786 HydrophobicContact CG2-CD1 4.4Å; V739-Y786 HydrophobicContact CG2-CD2 3.82Å; V739-Y786 HydrophobicContact CG2-CG 3.66Å
740	P	92.2	Very high	74	Confident	57 Å²	57	97.4 Å²	97.4	37%	0.37	50%	0.495	S	S	.	.			trans	-54.7	142.8	176.6	-26.6	34.8	0	0	0	112.6	D742 V743 R744	P740-D742 VanDerWaalsContact C-N 3.29Å; P740-D742 PolarHBondContact O-N 3.46Å; P740-V743 HydrophobicContact CB-CG2 4.2Å; P740-V743 HydrophobicContact CG-CG2 4.43Å; P740-V743 WeakPolarHBondContact O-CB 3.39Å; P740-V743 PolarHBondContact O-N 3.09Å; P740-V743 VanDerWaalsContact O-N 3.14Å; P740-R744 PolarHBondContact O-N 3.19Å
741	H	90.3	Very high	77	Confident	110 Å²	110	88.6 Å²	88.6	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-55.3	-43.2	-177.1	-177.1	-87.7	0	0	0	112.4	V743 R744 Q745	H741-V743 PolarHBondContact O-N 2.64Å; H741-R744 WeakPolarHBondContact O-CA 3.31Å; H741-R744 WeakPolarHBondContact O-CB 3.49Å; H741-R744 PolarHBondContact O-N 3.38Å; H741-Q745 PolarHBondContact O-N 3.03Å
742	D	90.8	Very high	79.9	Confident	125 Å²	125	80.8 Å²	80.8	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-62.7	-32.6	-177.6	-34.5	-51.9	0	0	0	112.4	P740 R746	P740-D742 VanDerWaalsContact C-N 3.29Å; P740-D742 PolarHBondContact O-N 3.46Å; D742-R746 WeakPolarHBondContact O-CB 3.43Å; D742-R746 PolarHBondContact O-N 3.42Å; D742-R746 VanDerWaalsContact O-N 3.14Å
743	V	92.4	Very high	82.9	Confident	30 Å²	30	81 Å²	81	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-69.8	-41	174.5	178.2	0	0	0	0	110.1	V739 P740 H741 Y747 Y786 L787	V739-V743 HydrophobicContact CG1-CB 4Å; V739-V743 HydrophobicContact CG1-CG1 3.89Å; P740-V743 HydrophobicContact CB-CG2 4.2Å; P740-V743 HydrophobicContact CG-CG2 4.43Å; P740-V743 WeakPolarHBondContact O-CB 3.39Å; P740-V743 PolarHBondContact O-N 3.09Å; P740-V743 VanDerWaalsContact O-N 3.14Å; H741-V743 PolarHBondContact O-N 2.64Å; V743-Y747 WeakPolarHBondContact O-CD2 3.37Å; V743-Y786 HydrophobicContact CG1-CD1 4.22Å; V743-Y786 HydrophobicContact CG1-CE1 4.06Å; V743-L787 HydrophobicContact CG1-CD2 4Å
744	R	94.6	Very high	85.2	Confident	33 Å²	33	72 Å²	72	13%	0.125	36%	0.364	C	S	.	.	H	α-helix	trans	-66.3	-52.7	176.9	-71	-176.1	-90.2	147.9	-4	111.8	D737 V739 P740 H741 R746 Y747 V748 E773 Y786	D737-R744 IonicContact OD1-NH2 2.9Å; D737-R744 IonicContact OD2-CZ 2.65Å; D737-R744 IonicContact OD2-NH1 3.61Å; D737-R744 IonicContact OD2-NH2 3.62Å; D737-R744 PolarHBondContact OD2-NH2 2.93Å; V739-R744 HydrophobicContact CB-CG 4.14Å; V739-R744 HydrophobicContact CG1-CG 3.89Å; V739-R744 PolarHBondContact O-NE 3.36Å; V739-R744 PolarHBondContact O-NH2 2.88Å; P740-R744 PolarHBondContact O-N 3.19Å; H741-R744 WeakPolarHBondContact O-CA 3.31Å; H741-R744 WeakPolarHBondContact O-CB 3.49Å; H741-R744 PolarHBondContact O-N 3.38Å; R744-R746 PolarHBondContact O-N 3.16Å; R744-Y747 WeakPolarHBondContact O-CA 3.5Å; R744-Y747 PolarHBondContact O-N 3.11Å; R744-V748 PolarHBondContact O-N 3.24Å; R744-E773 WeakPolarHBondContact CB-OE1 3.19Å; R744-E773 WeakPolarHBondContact CD-OE1 3.16Å; R744-E773 WeakPolarHBondContact CG-OE1 3.35Å; R744-Y786 HydrophobicContact CG-CE2 3.99Å
745	Q	94.8	Very high	87.6	Confident	65 Å²	65	69.1 Å²	69.1	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-55.3	-37.2	178.2	-170.5	63.8	61.8	0	0	112.4	H741 Y747 V748 N749	H741-Q745 PolarHBondContact O-N 3.03Å; Q745-Y747 VanDerWaalsContact C-N 3.31Å; Q745-Y747 PolarHBondContact O-N 3.33Å; Q745-V748 PolarHBondContact O-N 3.46Å; Q745-N749 PolarHBondContact NE2-OD1 3.4Å; Q745-N749 VanDerWaalsContact O-CG 3.24Å; Q745-N749 PolarHBondContact O-N 3.16Å; Q745-N749 PolarHBondContact O-OD1 3Å; Q745-N749 VanDerWaalsContact O-OD1 3.04Å
746	R	94.5	Very high	89.8	Confident	167 Å²	167	68.1 Å²	68.1	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-57.7	-42.7	173.5	-174.2	-179.6	178.8	-168.1	0.6	112.2	D742 R744 M750	D742-R746 WeakPolarHBondContact O-CB 3.43Å; D742-R746 PolarHBondContact O-N 3.42Å; D742-R746 VanDerWaalsContact O-N 3.14Å; R744-R746 PolarHBondContact O-N 3.16Å; R746-M750 HydrophobicContact CG-SD 4.02Å; R746-M750 VanDerWaalsContact O-CG 3.23Å; R746-M750 WeakPolarHBondContact O-CG 3.5Å; R746-M750 PolarHBondContact O-N 3.08Å; R746-M750 VanDerWaalsContact O-N 3.07Å
747	Y	95.1	Very high	91.3	Very high	21 Å²	21	61.4 Å²	61.4	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-76.2	-33.6	176.9	-77.3	-84.3	0	0	0	113.1	V743 R744 Q745 N749 M750 F751 Y786 L787 A790 V791	V743-Y747 WeakPolarHBondContact O-CD2 3.37Å; R744-Y747 WeakPolarHBondContact O-CA 3.5Å; R744-Y747 PolarHBondContact O-N 3.11Å; Q745-Y747 VanDerWaalsContact C-N 3.31Å; Q745-Y747 PolarHBondContact O-N 3.33Å; Y747-N749 VanDerWaalsContact C-N 3.27Å; Y747-N749 PolarHBondContact O-N 3.4Å; Y747-M750 HydrophobicContact CD1-SD 4.49Å; Y747-M750 PolarHBondContact O-N 2.75Å; Y747-F751 HydrophobicContact CD1-CE1 4.46Å; Y747-F751 HydrophobicContact CD1-CZ 4.31Å; Y747-F751 WeakPolarHBondContact O-CB 3.41Å; Y747-F751 WeakPolarHBondContact O-CD2 3.25Å; Y747-F751 WeakPolarHBondContact O-CG 3.23Å; Y747-F751 PolarHBondContact O-N 3.04Å; Y747-Y786 AromaticContact CD2-CE1 3.76Å; Y747-Y786 HydrophobicContact CD2-CE1 3.76Å; Y747-Y786 HydrophobicContact CE2-CE1 4.21Å; Y747-Y786 HydrophobicContact CG-CE1 4.43Å; Y747-L787 HydrophobicContact CE2-CD2 3.64Å; Y747-A790 HydrophobicContact CD1-CB 3.45Å; Y747-A790 VanDerWaalsContact CD1-CB 3.45Å; Y747-A790 HydrophobicContact CD2-CB 4.06Å; Y747-A790 HydrophobicContact CE1-CB 3.53Å; Y747-A790 HydrophobicContact CE2-CB 4.16Å; Y747-A790 HydrophobicContact CG-CB 3.72Å; Y747-V791 HydrophobicContact CE1-CG2 4.14Å; Y747-V791 WeakPolarHBondContact OH-CG2 3.27Å
748	V	95.7	Very high	91.7	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-54.5	-47.7	168.6	-179.7	0	0	0	0	110.1	R744 Q745 F751 T752 F766 A769 L770 E773	R744-V748 PolarHBondContact O-N 3.24Å; Q745-V748 PolarHBondContact O-N 3.46Å; V748-F751 PolarHBondContact O-N 3.08Å; V748-T752 WeakPolarHBondContact O-CB 3.39Å; V748-T752 PolarHBondContact O-N 2.75Å; V748-T752 PolarHBondContact O-OG1 3.15Å; V748-F766 HydrophobicContact CG1-CD2 4.18Å; V748-F766 HydrophobicContact CG1-CE2 3.67Å; V748-F766 HydrophobicContact CG1-CZ 4.32Å; V748-A769 HydrophobicContact CG1-CB 4.25Å; V748-A769 WeakPolarHBondContact O-CB 3.45Å; V748-L770 HydrophobicContact CG1-CD2 3.73Å; V748-L770 HydrophobicContact CG1-CG 4.18Å; V748-L770 HydrophobicContact CG2-CD2 4Å; V748-E773 HydrophobicContact CG2-CB 3.81Å; V748-E773 HydrophobicContact CG2-CG 3.75Å
749	N	94.6	Very high	91.6	Very high	76 Å²	76	56.6 Å²	56.6	41%	0.406	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-47.8	178.1	-64.7	10.8	0	0	0	111.3	Q745 Y747 F751 T752 E753	Q745-N749 PolarHBondContact NE2-OD1 3.4Å; Q745-N749 VanDerWaalsContact O-CG 3.24Å; Q745-N749 PolarHBondContact O-N 3.16Å; Q745-N749 PolarHBondContact O-OD1 3Å; Q745-N749 VanDerWaalsContact O-OD1 3.04Å; Y747-N749 VanDerWaalsContact C-N 3.27Å; Y747-N749 PolarHBondContact O-N 3.4Å; N749-F751 PolarHBondContact O-N 3.28Å; N749-T752 WeakPolarHBondContact O-CB 3.47Å; N749-T752 PolarHBondContact O-N 3.3Å; N749-T752 VanDerWaalsContact O-N 3.16Å; N749-E753 WeakPolarHBondContact O-CG 3.36Å; N749-E753 PolarHBondContact O-N 2.96Å
750	M	94.4	Very high	91.3	Very high	45 Å²	45	62 Å²	62	22%	0.222	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-33.8	179.2	-66.6	170.9	82.4	0	0	113.2	R746 Y747 E754 L794	R746-M750 HydrophobicContact CG-SD 4.02Å; R746-M750 VanDerWaalsContact O-CG 3.23Å; R746-M750 WeakPolarHBondContact O-CG 3.5Å; R746-M750 PolarHBondContact O-N 3.08Å; R746-M750 VanDerWaalsContact O-N 3.07Å; Y747-M750 HydrophobicContact CD1-SD 4.49Å; Y747-M750 PolarHBondContact O-N 2.75Å; M750-E754 PolarHBondContact O-N 3.46Å; M750-L794 HydrophobicContact CB-CD1 3.98Å; M750-L794 HydrophobicContact CB-CD2 4.38Å; M750-L794 HydrophobicContact CE-CD2 3.62Å; M750-L794 WeakPolarHBondContact O-CD1 3.36Å
751	F	95.2	Very high	91.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.3	-40	171.7	-63.2	-32.5	0	0	0	111.2	Y747 V748 N749 E753 E754 F755 A769 E772 E773 V776 A790 A793 L794 L797	Y747-F751 HydrophobicContact CD1-CE1 4.46Å; Y747-F751 HydrophobicContact CD1-CZ 4.31Å; Y747-F751 WeakPolarHBondContact O-CB 3.41Å; Y747-F751 WeakPolarHBondContact O-CD2 3.25Å; Y747-F751 WeakPolarHBondContact O-CG 3.23Å; Y747-F751 PolarHBondContact O-N 3.04Å; V748-F751 PolarHBondContact O-N 3.08Å; N749-F751 PolarHBondContact O-N 3.28Å; F751-E753 VanDerWaalsContact C-N 3.34Å; F751-E753 PolarHBondContact O-N 3.2Å; F751-E754 PolarHBondContact O-N 2.9Å; F751-E754 VanDerWaalsContact O-N 3.13Å; F751-F755 HydrophobicContact CB-CD2 4.36Å; F751-F755 HydrophobicContact CB-CE2 4.34Å; F751-F755 WeakPolarHBondContact O-CD2 3.5Å; F751-F755 PolarHBondContact O-N 3.29Å; F751-A769 HydrophobicContact CB-CB 3.7Å; F751-E772 HydrophobicContact CD2-CB 4.36Å; F751-E772 HydrophobicContact CD2-CG 4.33Å; F751-E772 HydrophobicContact CE2-CG 4.23Å; F751-E772 HydrophobicContact CZ-CG 4.43Å; F751-E773 HydrophobicContact CD2-CB 4.17Å; F751-E773 HydrophobicContact CE2-CB 4.03Å; F751-V776 HydrophobicContact CE2-CG2 4.3Å; F751-V776 HydrophobicContact CZ-CG2 4.15Å; F751-A790 WeakPolarHBondContact CE1-O 3.45Å; F751-A790 HydrophobicContact CZ-CB 4.32Å; F751-A793 HydrophobicContact CE1-CB 3.83Å; F751-A793 HydrophobicContact CZ-CB 3.86Å; F751-L794 HydrophobicContact CD1-CB 4.43Å; F751-L794 HydrophobicContact CD1-CD1 3.8Å; F751-L794 HydrophobicContact CE1-CB 4.01Å; F751-L794 HydrophobicContact CE1-CD1 4.2Å; F751-L797 HydrophobicContact CB-CD1 4.29Å; F751-L797 HydrophobicContact CD1-CD1 3.69Å; F751-L797 HydrophobicContact CE1-CD1 4.39Å; F751-L797 HydrophobicContact CG-CD1 4.23Å
752	T	93.8	Very high	91.4	Very high	16 Å²	16	61.4 Å²	61.4	10%	0.098	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-44.6	175.7	-51.8	0	0	0	0	110.2	V748 N749 E754 F755 L756 A765 F766 A769	V748-T752 WeakPolarHBondContact O-CB 3.39Å; V748-T752 PolarHBondContact O-N 2.75Å; V748-T752 PolarHBondContact O-OG1 3.15Å; N749-T752 WeakPolarHBondContact O-CB 3.47Å; N749-T752 PolarHBondContact O-N 3.3Å; N749-T752 VanDerWaalsContact O-N 3.16Å; T752-E754 VanDerWaalsContact C-N 3.27Å; T752-E754 PolarHBondContact O-N 3.35Å; T752-F755 PolarHBondContact O-N 2.95Å; T752-L756 HydrophobicContact CG2-CD1 4.01Å; T752-L756 HydrophobicContact CG2-CG 4.26Å; T752-L756 VanDerWaalsContact O-CB 3.31Å; T752-L756 WeakPolarHBondContact O-CB 3.1Å; T752-L756 WeakPolarHBondContact O-CG 3.44Å; T752-L756 PolarHBondContact O-N 3.02Å; T752-A765 HydrophobicContact CG2-CB 4.22Å; T752-F766 HydrophobicContact CG2-CB 4.34Å; T752-F766 HydrophobicContact CG2-CD2 4.31Å; T752-A769 WeakPolarHBondContact OG1-CB 3.45Å
753	E	92.1	Very high	91.3	Very high	117 Å²	117	60.9 Å²	60.9	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-57.9	-33.1	174	-75	171.5	-154	0	0	113.5	N749 F751 K757	N749-E753 WeakPolarHBondContact O-CG 3.36Å; N749-E753 PolarHBondContact O-N 2.96Å; F751-E753 VanDerWaalsContact C-N 3.34Å; F751-E753 PolarHBondContact O-N 3.2Å; E753-K757 WeakPolarHBondContact O-CE 3.32Å
754	E	90.6	Very high	91.2	Very high	10 Å²	10	63.5 Å²	63.5	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-80.7	-42	174.4	-66.9	-55.2	146.7	0	0	112.9	M750 F751 T752 L756 K757 L794 L797 K798 S801	M750-E754 PolarHBondContact O-N 3.46Å; F751-E754 PolarHBondContact O-N 2.9Å; F751-E754 VanDerWaalsContact O-N 3.13Å; T752-E754 VanDerWaalsContact C-N 3.27Å; T752-E754 PolarHBondContact O-N 3.35Å; E754-L756 VanDerWaalsContact C-N 3.33Å; E754-L756 PolarHBondContact O-N 2.78Å; E754-K757 WeakPolarHBondContact O-CB 3.39Å; E754-K757 PolarHBondContact O-N 3.35Å; E754-K757 VanDerWaalsContact O-N 3.11Å; E754-K757 IonicContact OE1-NZ 3.49Å; E754-K757 PolarHBondContact OE1-NZ 3.24Å; E754-K757 WeakPolarHBondContact OE2-CD 3.41Å; E754-K757 WeakPolarHBondContact OE2-CE 3.49Å; E754-K757 IonicContact OE2-NZ 2.72Å; E754-K757 PolarHBondContact OE2-NZ 2.99Å; E754-L794 HydrophobicContact CG-CD1 3.67Å; E754-L797 HydrophobicContact CB-CB 3.91Å; E754-L797 HydrophobicContact CG-CB 4.26Å; E754-K798 HydrophobicContact CG-CG 3.96Å; E754-K798 WeakPolarHBondContact OE1-CE 3.43Å; E754-K798 VanDerWaalsContact OE1-CG 3.26Å; E754-K798 WeakPolarHBondContact OE1-CG 3.44Å; E754-K798 WeakPolarHBondContact OE2-CG 3.44Å; E754-S801 PolarHBondContact OE2-OG 2.78Å
755	F	91.6	Very high	91	Very high	28 Å²	28	62 Å²	62	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-37.3	176.9	-77.4	-61.2	0	0	0	111.9	F751 T752 K757 T758 T759 A765 K768 A769 E772 L797	F751-F755 HydrophobicContact CB-CD2 4.36Å; F751-F755 HydrophobicContact CB-CE2 4.34Å; F751-F755 WeakPolarHBondContact O-CD2 3.5Å; F751-F755 PolarHBondContact O-N 3.29Å; T752-F755 PolarHBondContact O-N 2.95Å; F755-K757 PolarHBondContact O-N 2.66Å; F755-T758 PolarHBondContact O-N 3.22Å; F755-T758 PolarHBondContact O-OG1 3.3Å; F755-T758 VanDerWaalsContact O-OG1 3.08Å; F755-T759 PolarHBondContact O-N 2.69Å; F755-T759 PolarHBondContact O-OG1 3.14Å; F755-T759 VanDerWaalsContact O-OG1 3.13Å; F755-A765 HydrophobicContact CB-CB 3.88Å; F755-K768 HydrophobicContact CD1-CB 4.11Å; F755-K768 HydrophobicContact CD1-CD 4.17Å; F755-K768 HydrophobicContact CD2-CB 3.86Å; F755-K768 HydrophobicContact CE1-CB 4.03Å; F755-K768 HydrophobicContact CE1-CD 4.3Å; F755-K768 HydrophobicContact CE2-CB 3.79Å; F755-K768 HydrophobicContact CG-CB 4.03Å; F755-K768 HydrophobicContact CZ-CB 3.88Å; F755-A769 HydrophobicContact CD2-CB 4.14Å; F755-E772 HydrophobicContact CE2-CB 4.39Å; F755-L797 HydrophobicContact CD1-CD2 4.28Å; F755-L797 HydrophobicContact CD2-CD1 4.49Å; F755-L797 HydrophobicContact CE1-CD2 3.54Å; F755-L797 HydrophobicContact CE2-CD1 3.9Å; F755-L797 HydrophobicContact CE2-CD2 4.2Å; F755-L797 HydrophobicContact CZ-CD1 4.01Å; F755-L797 HydrophobicContact CZ-CD2 3.5Å; F755-L797 VanDerWaalsContact CZ-CD2 3.5Å; F755-L797 HydrophobicContact CZ-CG 4.43Å
756	L	90.4	Very high	91	Very high	76 Å²	76	62.6 Å²	62.6	40%	0.398	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.3	173.1	-76.7	171.4	0	0	0	114.7	T752 E754 V762 A765	T752-L756 HydrophobicContact CG2-CD1 4.01Å; T752-L756 HydrophobicContact CG2-CG 4.26Å; T752-L756 VanDerWaalsContact O-CB 3.31Å; T752-L756 WeakPolarHBondContact O-CB 3.1Å; T752-L756 WeakPolarHBondContact O-CG 3.44Å; T752-L756 PolarHBondContact O-N 3.02Å; E754-L756 VanDerWaalsContact C-N 3.33Å; E754-L756 PolarHBondContact O-N 2.78Å; L756-V762 HydrophobicContact CD2-CB 4.22Å; L756-V762 HydrophobicContact CD2-CG1 4.3Å; L756-V762 HydrophobicContact CD2-CG2 3.93Å; L756-A765 HydrophobicContact CD2-CB 3.79Å; L756-A765 HydrophobicContact CG-CB 3.81Å
757	K	88.3	Confident	90.9	Very high	110 Å²	110	60 Å²	60	48%	0.478	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.3	173	-58.4	170.1	-166.9	173	0	112.7	E753 E754 F755	E753-K757 WeakPolarHBondContact O-CE 3.32Å; E754-K757 WeakPolarHBondContact O-CB 3.39Å; E754-K757 PolarHBondContact O-N 3.35Å; E754-K757 VanDerWaalsContact O-N 3.11Å; E754-K757 IonicContact OE1-NZ 3.49Å; E754-K757 PolarHBondContact OE1-NZ 3.24Å; E754-K757 WeakPolarHBondContact OE2-CD 3.41Å; E754-K757 WeakPolarHBondContact OE2-CE 3.49Å; E754-K757 IonicContact OE2-NZ 2.72Å; E754-K757 PolarHBondContact OE2-NZ 2.99Å; F755-K757 PolarHBondContact O-N 2.66Å
758	T	80.9	Confident	90.7	Very high	80 Å²	80	62.7 Å²	62.7	49%	0.491	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-28.2	-174	60.4	0	0	0	0	113.8	F755 A804	F755-T758 PolarHBondContact O-N 3.22Å; F755-T758 PolarHBondContact O-OG1 3.3Å; F755-T758 VanDerWaalsContact O-OG1 3.08Å; T758-A804 HydrophobicContact CG2-CB 4.37Å
759	T	83.3	Confident	90.7	Very high	19 Å²	19	62.5 Å²	62.5	12%	0.117	33%	0.332	C	S	.	.			trans	-94.1	153	170.4	60.7	0	0	0	0	111.8	F755 D761 E764 A765 K768	F755-T759 PolarHBondContact O-N 2.69Å; F755-T759 PolarHBondContact O-OG1 3.14Å; F755-T759 VanDerWaalsContact O-OG1 3.13Å; T759-D761 PolarHBondContact OG1-O 3.2Å; T759-E764 WeakPolarHBondContact CB-OE2 3.48Å; T759-E764 HydrophobicContact CG2-CG 4.39Å; T759-A765 WeakPolarHBondContact OG1-CB 3.41Å; T759-K768 HydrophobicContact CG2-CD 4.15Å; T759-K768 VanDerWaalsContact CG2-NZ 3.35Å
760	A	82.1	Confident	90.6	Very high	112 Å²	112	61.6 Å²	61.6	93%	0.926	33%	0.326	S	S	*	.	S	Bend	trans	-91.3	-24.1	177.4	0	0	0	0	0	113.3
761	D	92	Very high	90.4	Very high	68 Å²	68	64 Å²	64	36%	0.364	34%	0.343	S	S	.	.			trans	-99.5	147.8	174.6	175.3	44	0	0	0	111.9	T759 N763 E764 A765	T759-D761 PolarHBondContact OG1-O 3.2Å; D761-N763 PolarHBondContact OD1-N 2.82Å; D761-N763 PolarHBondContact OD1-ND2 2.9Å; D761-N763 WeakPolarHBondContact OD2-CA 3.48Å; D761-N763 VanDerWaalsContact OD2-CB 3.29Å; D761-N763 WeakPolarHBondContact OD2-CB 3.27Å; D761-N763 PolarHBondContact OD2-N 3.15Å; D761-N763 VanDerWaalsContact OD2-N 3.14Å; D761-N763 PolarHBondContact OD2-ND2 3.38Å; D761-E764 HydrophobicContact CB-CB 4Å; D761-E764 PolarHBondContact OD2-N 2.61Å; D761-A765 PolarHBondContact O-N 2.82Å
762	V	91.3	Very high	90.3	Very high	87 Å²	87	65.8 Å²	65.8	53%	0.527	35%	0.352	S	S	.	.	H	α-helix	trans	-80.5	-35.9	179.1	-176.6	0	0	0	0	111.3	L756 A765 F766	L756-V762 HydrophobicContact CD2-CB 4.22Å; L756-V762 HydrophobicContact CD2-CG1 4.3Å; L756-V762 HydrophobicContact CD2-CG2 3.93Å; V762-A765 WeakPolarHBondContact O-CB 3.28Å; V762-A765 PolarHBondContact O-N 2.59Å; V762-F766 WeakPolarHBondContact O-CB 3.1Å; V762-F766 PolarHBondContact O-N 3.07Å
763	N	88.9	Confident	90.3	Very high	114 Å²	114	65.9 Å²	65.9	61%	0.61	35%	0.351	S	S	*	.	H	α-helix	trans	-72.2	-43.3	179.7	-47	-84.6	0	0	0	110.1	D761 A765 F766 E767	D761-N763 PolarHBondContact OD1-N 2.82Å; D761-N763 PolarHBondContact OD1-ND2 2.9Å; D761-N763 WeakPolarHBondContact OD2-CA 3.48Å; D761-N763 VanDerWaalsContact OD2-CB 3.29Å; D761-N763 WeakPolarHBondContact OD2-CB 3.27Å; D761-N763 PolarHBondContact OD2-N 3.15Å; D761-N763 VanDerWaalsContact OD2-N 3.14Å; D761-N763 PolarHBondContact OD2-ND2 3.38Å; N763-A765 VanDerWaalsContact C-N 3.3Å; N763-A765 PolarHBondContact O-N 2.84Å; N763-F766 PolarHBondContact O-N 3.13Å; N763-F766 VanDerWaalsContact O-N 3.15Å; N763-E767 PolarHBondContact O-N 2.98Å
764	E	91.1	Very high	90.3	Very high	86 Å²	86	66.9 Å²	66.9	40%	0.402	35%	0.354	S	S	.	.	H	α-helix	trans	-56.4	-41.4	170.5	-165.8	-164	-176.8	0	0	112.1	T759 D761 K768	T759-E764 WeakPolarHBondContact CB-OE2 3.48Å; T759-E764 HydrophobicContact CG2-CG 4.39Å; D761-E764 HydrophobicContact CB-CB 4Å; D761-E764 PolarHBondContact OD2-N 2.61Å; E764-K768 VanDerWaalsContact CD-NZ 3.28Å; E764-K768 HydrophobicContact CG-CD 4.39Å; E764-K768 WeakPolarHBondContact O-CB 3.46Å; E764-K768 VanDerWaalsContact O-CG 3.27Å; E764-K768 WeakPolarHBondContact O-CG 3.38Å; E764-K768 PolarHBondContact O-N 3.33Å; E764-K768 VanDerWaalsContact O-N 3.16Å; E764-K768 WeakPolarHBondContact OE1-CE 3.42Å; E764-K768 IonicContact OE1-NZ 2.77Å; E764-K768 PolarHBondContact OE1-NZ 3.38Å; E764-K768 IonicContact OE2-NZ 3.66Å
765	A	91.2	Very high	90.2	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-42.6	175.3	0	0	0	0	0	112.3	T752 F755 L756 T759 D761 V762 N763 A769	T752-A765 HydrophobicContact CG2-CB 4.22Å; F755-A765 HydrophobicContact CB-CB 3.88Å; L756-A765 HydrophobicContact CD2-CB 3.79Å; L756-A765 HydrophobicContact CG-CB 3.81Å; T759-A765 WeakPolarHBondContact OG1-CB 3.41Å; D761-A765 PolarHBondContact O-N 2.82Å; V762-A765 WeakPolarHBondContact O-CB 3.28Å; V762-A765 PolarHBondContact O-N 2.59Å; N763-A765 VanDerWaalsContact C-N 3.3Å; N763-A765 PolarHBondContact O-N 2.84Å; A765-A769 WeakPolarHBondContact O-CB 3.35Å; A765-A769 PolarHBondContact O-N 2.77Å
766	F	94.8	Very high	90.2	Very high	78 Å²	78	67.2 Å²	67.2	34%	0.342	36%	0.361	S	S	.	.	H	α-helix	trans	-72	-42.1	-177.5	-172.5	-108.1	0	0	0	112.5	V748 T752 V762 N763 K768 A769 L770	V748-F766 HydrophobicContact CG1-CD2 4.18Å; V748-F766 HydrophobicContact CG1-CE2 3.67Å; V748-F766 HydrophobicContact CG1-CZ 4.32Å; T752-F766 HydrophobicContact CG2-CB 4.34Å; T752-F766 HydrophobicContact CG2-CD2 4.31Å; V762-F766 WeakPolarHBondContact O-CB 3.1Å; V762-F766 PolarHBondContact O-N 3.07Å; N763-F766 PolarHBondContact O-N 3.13Å; N763-F766 VanDerWaalsContact O-N 3.15Å; F766-K768 VanDerWaalsContact C-N 3.33Å; F766-K768 PolarHBondContact O-N 2.84Å; F766-A769 WeakPolarHBondContact O-CB 3.27Å; F766-A769 PolarHBondContact O-N 3Å; F766-A769 VanDerWaalsContact O-N 3.15Å; F766-L770 HydrophobicContact CD1-CD1 3.85Å; F766-L770 HydrophobicContact CD1-CG 4.33Å; F766-L770 HydrophobicContact CE1-CD1 3.51Å; F766-L770 HydrophobicContact CE1-CG 4.07Å; F766-L770 HydrophobicContact CZ-CD1 4.12Å; F766-L770 HydrophobicContact CZ-CD2 4.35Å; F766-L770 HydrophobicContact CZ-CG 4.26Å; F766-L770 WeakPolarHBondContact O-CG 3.37Å; F766-L770 PolarHBondContact O-N 2.96Å
767	E	92.1	Very high	90.3	Very high	114 Å²	114	65.3 Å²	65.3	53%	0.533	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-35.8	175.3	-72.2	-58.6	131.7	0	0	112.2	N763 T771	N763-E767 PolarHBondContact O-N 2.98Å; E767-T771 VanDerWaalsContact O-CB 3.32Å; E767-T771 WeakPolarHBondContact O-CB 3.34Å; E767-T771 PolarHBondContact O-N 3.16Å; E767-T771 PolarHBondContact O-OG1 2.85Å
768	K	91.1	Very high	90.2	Very high	77 Å²	77	65.2 Å²	65.2	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-41.7	170	-72.9	173.7	-174.4	172.8	0	111.8	F755 T759 E764 F766 T771 E772	F755-K768 HydrophobicContact CD1-CB 4.11Å; F755-K768 HydrophobicContact CD1-CD 4.17Å; F755-K768 HydrophobicContact CD2-CB 3.86Å; F755-K768 HydrophobicContact CE1-CB 4.03Å; F755-K768 HydrophobicContact CE1-CD 4.3Å; F755-K768 HydrophobicContact CE2-CB 3.79Å; F755-K768 HydrophobicContact CG-CB 4.03Å; F755-K768 HydrophobicContact CZ-CB 3.88Å; T759-K768 HydrophobicContact CG2-CD 4.15Å; T759-K768 VanDerWaalsContact CG2-NZ 3.35Å; E764-K768 VanDerWaalsContact CD-NZ 3.28Å; E764-K768 HydrophobicContact CG-CD 4.39Å; E764-K768 WeakPolarHBondContact O-CB 3.46Å; E764-K768 VanDerWaalsContact O-CG 3.27Å; E764-K768 WeakPolarHBondContact O-CG 3.38Å; E764-K768 PolarHBondContact O-N 3.33Å; E764-K768 VanDerWaalsContact O-N 3.16Å; E764-K768 WeakPolarHBondContact OE1-CE 3.42Å; E764-K768 IonicContact OE1-NZ 2.77Å; E764-K768 PolarHBondContact OE1-NZ 3.38Å; E764-K768 IonicContact OE2-NZ 3.66Å; F766-K768 VanDerWaalsContact C-N 3.33Å; F766-K768 PolarHBondContact O-N 2.84Å; K768-T771 PolarHBondContact O-N 2.68Å; K768-E772 WeakPolarHBondContact O-CB 3.36Å; K768-E772 PolarHBondContact O-N 3.16Å
769	A	94.1	Very high	90.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.8	0	0	0	0	0	113.1	V748 F751 T752 F755 A765 F766 E773	V748-A769 HydrophobicContact CG1-CB 4.25Å; V748-A769 WeakPolarHBondContact O-CB 3.45Å; F751-A769 HydrophobicContact CB-CB 3.7Å; T752-A769 WeakPolarHBondContact OG1-CB 3.45Å; F755-A769 HydrophobicContact CD2-CB 4.14Å; A765-A769 WeakPolarHBondContact O-CB 3.35Å; A765-A769 PolarHBondContact O-N 2.77Å; F766-A769 WeakPolarHBondContact O-CB 3.27Å; F766-A769 PolarHBondContact O-N 3Å; F766-A769 VanDerWaalsContact O-N 3.15Å; A769-E773 WeakPolarHBondContact O-CB 3.48Å; A769-E773 PolarHBondContact O-N 2.85Å
770	L	93.8	Very high	90.3	Very high	56 Å²	56	63.9 Å²	63.9	29%	0.293	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-39.9	173.4	-73.8	177.3	0	0	0	112	V748 F766 K774	V748-L770 HydrophobicContact CG1-CD2 3.73Å; V748-L770 HydrophobicContact CG1-CG 4.18Å; V748-L770 HydrophobicContact CG2-CD2 4Å; F766-L770 HydrophobicContact CD1-CD1 3.85Å; F766-L770 HydrophobicContact CD1-CG 4.33Å; F766-L770 HydrophobicContact CE1-CD1 3.51Å; F766-L770 HydrophobicContact CE1-CG 4.07Å; F766-L770 HydrophobicContact CZ-CD1 4.12Å; F766-L770 HydrophobicContact CZ-CD2 4.35Å; F766-L770 HydrophobicContact CZ-CG 4.26Å; F766-L770 WeakPolarHBondContact O-CG 3.37Å; F766-L770 PolarHBondContact O-N 2.96Å; L770-K774 WeakPolarHBondContact O-CB 3.41Å; L770-K774 PolarHBondContact O-N 2.99Å
771	T	90.3	Very high	90.3	Very high	95 Å²	95	63.9 Å²	63.9	58%	0.583	33%	0.326	S	S	*	.	H	α-helix	trans	-65.5	-43.9	177.7	-61.1	0	0	0	0	111.6	E767 K768 S775	E767-T771 VanDerWaalsContact O-CB 3.32Å; E767-T771 WeakPolarHBondContact O-CB 3.34Å; E767-T771 PolarHBondContact O-N 3.16Å; E767-T771 PolarHBondContact O-OG1 2.85Å; K768-T771 PolarHBondContact O-N 2.68Å; T771-S775 PolarHBondContact O-N 2.87Å; T771-S775 VanDerWaalsContact O-N 3.08Å
772	E	92.1	Very high	90	Very high	38 Å²	38	64.2 Å²	64.2	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-44.3	176	-173	70.1	170	0	0	111.3	F751 F755 K768 K774 S775 V776 A793 R796	F751-E772 HydrophobicContact CD2-CB 4.36Å; F751-E772 HydrophobicContact CD2-CG 4.33Å; F751-E772 HydrophobicContact CE2-CG 4.23Å; F751-E772 HydrophobicContact CZ-CG 4.43Å; F755-E772 HydrophobicContact CE2-CB 4.39Å; K768-E772 WeakPolarHBondContact O-CB 3.36Å; K768-E772 PolarHBondContact O-N 3.16Å; E772-K774 PolarHBondContact O-N 3.32Å; E772-S775 WeakPolarHBondContact O-CB 3.3Å; E772-S775 PolarHBondContact O-N 3.36Å; E772-V776 WeakPolarHBondContact O-CG2 3.16Å; E772-V776 PolarHBondContact O-N 2.71Å; E772-A793 HydrophobicContact CG-CB 4.29Å; E772-A793 WeakPolarHBondContact OE1-CB 3.47Å; E772-R796 IonicContact OE1-CZ 2.57Å; E772-R796 IonicContact OE1-NE 3.78Å; E772-R796 IonicContact OE1-NH2 3.36Å; E772-R796 PolarHBondContact OE1-NH2 3.15Å
773	E	94.8	Very high	89.8	Confident	18 Å²	18	64.8 Å²	64.8	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-42.9	175.6	-169.2	-79.8	150.4	0	0	112.1	R744 V748 F751 A769 S775 V776 Y777 Y786	R744-E773 WeakPolarHBondContact CB-OE1 3.19Å; R744-E773 WeakPolarHBondContact CD-OE1 3.16Å; R744-E773 WeakPolarHBondContact CG-OE1 3.35Å; V748-E773 HydrophobicContact CG2-CB 3.81Å; V748-E773 HydrophobicContact CG2-CG 3.75Å; F751-E773 HydrophobicContact CD2-CB 4.17Å; F751-E773 HydrophobicContact CE2-CB 4.03Å; A769-E773 WeakPolarHBondContact O-CB 3.48Å; A769-E773 PolarHBondContact O-N 2.85Å; E773-S775 VanDerWaalsContact C-N 3.27Å; E773-S775 PolarHBondContact O-N 3.43Å; E773-V776 CarbonylContact O-C 3.58Å; E773-V776 WeakPolarHBondContact O-CA 3.18Å; E773-V776 WeakPolarHBondContact O-CB 3.25Å; E773-V776 PolarHBondContact O-N 3.2Å; E773-V776 VanDerWaalsContact O-N 3.12Å; E773-Y777 WeakPolarHBondContact O-CB 3.14Å; E773-Y777 PolarHBondContact O-N 2.92Å; E773-Y786 WeakPolarHBondContact CG-OH 3.43Å; E773-Y786 WeakPolarHBondContact OE1-CE2 3.1Å; E773-Y786 PolarHBondContact OE1-OH 2.79Å
774	K	91.3	Very high	89.4	Confident	138 Å²	138	66 Å²	66	60%	0.6	33%	0.328	S	S	*	.	H	α-helix	trans	-61.6	-36.1	176.4	-172.7	175.6	-178.2	179.6	0	112	L770 E772 N778	L770-K774 WeakPolarHBondContact O-CB 3.41Å; L770-K774 PolarHBondContact O-N 2.99Å; E772-K774 PolarHBondContact O-N 3.32Å; K774-N778 VanDerWaalsContact O-CB 3.32Å; K774-N778 WeakPolarHBondContact O-CB 3.19Å; K774-N778 PolarHBondContact O-N 3.19Å; K774-N778 PolarHBondContact O-ND2 3.17Å; K774-N778 VanDerWaalsContact O-ND2 3.16Å
775	S	88.8	Confident	88.9	Confident	45 Å²	45	64.7 Å²	64.7	32%	0.315	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-47.6	171.8	-176.4	0	0	0	0	111.7	T771 E772 E773 N778 R779	T771-S775 PolarHBondContact O-N 2.87Å; T771-S775 VanDerWaalsContact O-N 3.08Å; E772-S775 WeakPolarHBondContact O-CB 3.3Å; E772-S775 PolarHBondContact O-N 3.36Å; E773-S775 VanDerWaalsContact C-N 3.27Å; E773-S775 PolarHBondContact O-N 3.43Å; S775-N778 PolarHBondContact O-N 2.76Å; S775-R779 WeakPolarHBondContact O-CB 3.39Å; S775-R779 WeakPolarHBondContact O-CD 3.3Å; S775-R779 WeakPolarHBondContact O-CG 3.33Å; S775-R779 PolarHBondContact O-N 3.23Å; S775-R779 VanDerWaalsContact O-N 3.07Å
776	V	91.8	Very high	88.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-46.6	175.5	172.8	0	0	0	0	111.3	F751 E772 E773 R779 S780 Y786 I789 A790 A793	F751-V776 HydrophobicContact CE2-CG2 4.3Å; F751-V776 HydrophobicContact CZ-CG2 4.15Å; E772-V776 WeakPolarHBondContact O-CG2 3.16Å; E772-V776 PolarHBondContact O-N 2.71Å; E773-V776 CarbonylContact O-C 3.58Å; E773-V776 WeakPolarHBondContact O-CA 3.18Å; E773-V776 WeakPolarHBondContact O-CB 3.25Å; E773-V776 PolarHBondContact O-N 3.2Å; E773-V776 VanDerWaalsContact O-N 3.12Å; V776-R779 PolarHBondContact O-N 2.73Å; V776-S780 WeakPolarHBondContact O-CB 3.37Å; V776-S780 PolarHBondContact O-N 3.45Å; V776-S780 VanDerWaalsContact O-N 3.11Å; V776-Y786 HydrophobicContact CB-CE2 4.37Å; V776-Y786 HydrophobicContact CG1-CD2 3.79Å; V776-Y786 HydrophobicContact CG1-CE2 3.58Å; V776-Y786 HydrophobicContact CG1-CG 4.45Å; V776-I789 HydrophobicContact CB-CG2 4.23Å; V776-I789 HydrophobicContact CG1-CB 4.05Å; V776-I789 HydrophobicContact CG1-CG2 4.02Å; V776-I789 HydrophobicContact CG2-CG2 4.05Å; V776-A790 HydrophobicContact CG1-CB 3.74Å; V776-A793 HydrophobicContact CG2-CB 4.1Å
777	Y	92.1	Very high	88.6	Confident	36 Å²	36	63.4 Å²	63.4	14%	0.141	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-47	179.1	-174.9	-117.4	0	0	0	112.3	D737 K738 V739 E773 R779 S780 Y786	D737-Y777 PolarHBondContact OD1-OH 3.39Å; K738-Y777 HydrophobicContact CB-CE2 3.9Å; K738-Y777 PolarHBondContact N-OH 3.32Å; V739-Y777 HydrophobicContact CB-CD2 4.13Å; V739-Y777 HydrophobicContact CB-CE2 3.81Å; V739-Y777 HydrophobicContact CG2-CD2 3.83Å; V739-Y777 HydrophobicContact CG2-CE2 3.7Å; E773-Y777 WeakPolarHBondContact O-CB 3.14Å; E773-Y777 PolarHBondContact O-N 2.92Å; Y777-R779 VanDerWaalsContact C-N 3.33Å; Y777-R779 PolarHBondContact O-N 2.97Å; Y777-S780 WeakPolarHBondContact O-CB 3.37Å; Y777-S780 PolarHBondContact O-N 3.04Å; Y777-S780 PolarHBondContact O-OG 3.16Å; Y777-Y786 HydrophobicContact CD2-CD2 4.22Å; Y777-Y786 HydrophobicContact CD2-CE2 4.41Å
778	N	85.6	Confident	88	Confident	109 Å²	109	59.1 Å²	59.1	58%	0.583	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-38.6	179.7	-73.6	-21.6	0	0	0	112.3	K774 S775 S780	K774-N778 VanDerWaalsContact O-CB 3.32Å; K774-N778 WeakPolarHBondContact O-CB 3.19Å; K774-N778 PolarHBondContact O-N 3.19Å; K774-N778 PolarHBondContact O-ND2 3.17Å; K774-N778 VanDerWaalsContact O-ND2 3.16Å; S775-N778 PolarHBondContact O-N 2.76Å; N778-S780 VanDerWaalsContact C-N 3.25Å; N778-S780 PolarHBondContact O-N 3.12Å
779	R	81.7	Confident	87.7	Confident	70 Å²	70	55.6 Å²	55.6	26%	0.264	29%	0.285	S	S	.	.	H	α-helix	trans	-73.6	-13.5	174.5	-70.9	162.1	64.6	-159.7	0.2	113.3	S775 V776 Y777 I789 E1097 V1099	S775-R779 WeakPolarHBondContact O-CB 3.39Å; S775-R779 WeakPolarHBondContact O-CD 3.3Å; S775-R779 WeakPolarHBondContact O-CG 3.33Å; S775-R779 PolarHBondContact O-N 3.23Å; S775-R779 VanDerWaalsContact O-N 3.07Å; V776-R779 PolarHBondContact O-N 2.73Å; Y777-R779 VanDerWaalsContact C-N 3.33Å; Y777-R779 PolarHBondContact O-N 2.97Å; R779-I789 HydrophobicContact CB-CD1 3.92Å; R779-E1097 PolarHBondContact NE-O 2.67Å; R779-E1097 PolarHBondContact NH2-O 2.88Å; R779-V1099 HydrophobicContact CG-CG2 4.41Å
780	S	85.9	Confident	87.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.			trans	-85.4	130.5	178.3	80.2	0	0	0	0	113.1	K738 V776 Y777 N778	K738-S780 PolarHBondContact NZ-O 2.61Å; V776-S780 WeakPolarHBondContact O-CB 3.37Å; V776-S780 PolarHBondContact O-N 3.45Å; V776-S780 VanDerWaalsContact O-N 3.11Å; Y777-S780 WeakPolarHBondContact O-CB 3.37Å; Y777-S780 PolarHBondContact O-N 3.04Å; Y777-S780 PolarHBondContact O-OG 3.16Å; N778-S780 VanDerWaalsContact C-N 3.25Å; N778-S780 PolarHBondContact O-N 3.12Å
781	V	81.3	Confident	87.2	Confident	113 Å²	113	56.5 Å²	56.5	69%	0.685	29%	0.293	S	S	*	.	S	Bend	trans	-89.2	-25.3	170.1	-64.5	0	0	0	0	112.5	K785	V781-K785 HydrophobicContact CG2-CB 4.16Å; V781-K785 HydrophobicContact CG2-CG 4.26Å
782	N	85.6	Confident	86.7	Confident	75 Å²	75	53 Å²	53	40%	0.401	27%	0.271	S	S	.	.	S	Bend	trans	-156.7	172.6	179.6	66.2	42.6	0	0	0	111.2	L784 K785 Y786	N782-L784 VanDerWaalsContact C-N 3.33Å; N782-L784 PolarHBondContact O-N 3.42Å; N782-L784 PolarHBondContact OD1-N 2.85Å; N782-K785 PolarHBondContact O-N 2.82Å; N782-K785 PolarHBondContact OD1-N 3.19Å; N782-Y786 WeakPolarHBondContact O-CB 3.32Å; N782-Y786 PolarHBondContact O-N 2.73Å
783	K	87.5	Confident	86.3	Confident	99 Å²	99	51.2 Å²	51.2	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-54.8	-37.2	178.8	-177.9	180	173.7	-175.8	0	114.7	L787	K783-L787 HydrophobicContact CG-CD1 4.26Å; K783-L787 VanDerWaalsContact O-CG 3.25Å; K783-L787 WeakPolarHBondContact O-CG 3.33Å; K783-L787 PolarHBondContact O-N 3.34Å
784	L	79.8	Confident	86	Confident	138 Å²	138	51 Å²	51	72%	0.723	26%	0.261	S	S	*	.	H	α-helix	trans	-70.5	-46	-179.6	-67.1	175.8	0	0	0	111.1	N782 Y786 L787 S788	N782-L784 VanDerWaalsContact C-N 3.33Å; N782-L784 PolarHBondContact O-N 3.42Å; N782-L784 PolarHBondContact OD1-N 2.85Å; L784-Y786 VanDerWaalsContact C-N 3.32Å; L784-Y786 PolarHBondContact O-N 2.98Å; L784-L787 PolarHBondContact O-N 2.95Å; L784-S788 PolarHBondContact O-N 3.28Å; L784-S788 VanDerWaalsContact O-N 3.11Å
785	K	81.4	Confident	85.5	Confident	59 Å²	59	48.8 Å²	48.8	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-63.3	-39.3	175.3	-170.7	58.5	165.2	176.1	0	111.3	V781 N782 S788 I789 I1094 E1097	V781-K785 HydrophobicContact CG2-CB 4.16Å; V781-K785 HydrophobicContact CG2-CG 4.26Å; N782-K785 PolarHBondContact O-N 2.82Å; N782-K785 PolarHBondContact OD1-N 3.19Å; K785-S788 PolarHBondContact O-N 2.89Å; K785-I789 HydrophobicContact CD-CD1 4.22Å; K785-I789 HydrophobicContact CD-CG1 4.39Å; K785-I789 HydrophobicContact CG-CD1 3.85Å; K785-I789 HydrophobicContact CG-CG1 4.48Å; K785-I789 WeakPolarHBondContact O-CD1 3.43Å; K785-I789 VanDerWaalsContact O-CG1 3.25Å; K785-I789 WeakPolarHBondContact O-CG1 3.46Å; K785-I789 PolarHBondContact O-N 3.31Å; K785-I1094 HydrophobicContact CD-CD1 4.03Å; K785-E1097 VanDerWaalsContact CE-OE1 3.27Å; K785-E1097 WeakPolarHBondContact CE-OE1 3.44Å; K785-E1097 IonicContact NZ-OE1 3.94Å; K785-E1097 PolarHBondContact NZ-OE1 3.25Å
786	Y	91.6	Very high	85.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.6	-51.4	171.3	177	-87.6	0	0	0	111.8	V739 V743 R744 Y747 E773 V776 Y777 N782 L784 S788 I789 A790	V739-Y786 HydrophobicContact CB-CD2 4.48Å; V739-Y786 HydrophobicContact CB-CG 4.37Å; V739-Y786 HydrophobicContact CG1-CD1 3.78Å; V739-Y786 HydrophobicContact CG1-CD2 4.3Å; V739-Y786 HydrophobicContact CG1-CE1 4.17Å; V739-Y786 HydrophobicContact CG1-CG 3.89Å; V739-Y786 HydrophobicContact CG2-CD1 4.4Å; V739-Y786 HydrophobicContact CG2-CD2 3.82Å; V739-Y786 HydrophobicContact CG2-CG 3.66Å; V743-Y786 HydrophobicContact CG1-CD1 4.22Å; V743-Y786 HydrophobicContact CG1-CE1 4.06Å; R744-Y786 HydrophobicContact CG-CE2 3.99Å; Y747-Y786 AromaticContact CD2-CE1 3.76Å; Y747-Y786 HydrophobicContact CD2-CE1 3.76Å; Y747-Y786 HydrophobicContact CE2-CE1 4.21Å; Y747-Y786 HydrophobicContact CG-CE1 4.43Å; E773-Y786 WeakPolarHBondContact CG-OH 3.43Å; E773-Y786 WeakPolarHBondContact OE1-CE2 3.1Å; E773-Y786 PolarHBondContact OE1-OH 2.79Å; V776-Y786 HydrophobicContact CB-CE2 4.37Å; V776-Y786 HydrophobicContact CG1-CD2 3.79Å; V776-Y786 HydrophobicContact CG1-CE2 3.58Å; V776-Y786 HydrophobicContact CG1-CG 4.45Å; Y777-Y786 HydrophobicContact CD2-CD2 4.22Å; Y777-Y786 HydrophobicContact CD2-CE2 4.41Å; N782-Y786 WeakPolarHBondContact O-CB 3.32Å; N782-Y786 PolarHBondContact O-N 2.73Å; L784-Y786 VanDerWaalsContact C-N 3.32Å; L784-Y786 PolarHBondContact O-N 2.98Å; Y786-S788 VanDerWaalsContact C-N 3.31Å; Y786-S788 PolarHBondContact O-N 3.14Å; Y786-I789 PolarHBondContact O-N 3.24Å; Y786-A790 HydrophobicContact CD1-CB 4.49Å; Y786-A790 HydrophobicContact CE1-CB 4.08Å; Y786-A790 WeakPolarHBondContact O-CB 3.47Å; Y786-A790 PolarHBondContact O-N 3.15Å
787	L	88.3	Confident	84.9	Confident	52 Å²	52	52 Å²	52	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-40.6	-179.1	-71.3	168.4	0	0	0	112	V743 Y747 K783 L784 V791	V743-L787 HydrophobicContact CG1-CD2 4Å; Y747-L787 HydrophobicContact CE2-CD2 3.64Å; K783-L787 HydrophobicContact CG-CD1 4.26Å; K783-L787 VanDerWaalsContact O-CG 3.25Å; K783-L787 WeakPolarHBondContact O-CG 3.33Å; K783-L787 PolarHBondContact O-N 3.34Å; L784-L787 PolarHBondContact O-N 2.95Å; L787-V791 WeakPolarHBondContact O-CB 3.47Å; L787-V791 VanDerWaalsContact O-CG2 3.26Å; L787-V791 WeakPolarHBondContact O-CG2 3.37Å; L787-V791 PolarHBondContact O-N 2.94Å
788	S	79.4	Confident	84.4	Confident	23 Å²	23	54.7 Å²	54.7	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-56	174.9	-172.7	0	0	0	0	112	L784 K785 Y786 A790 V791 N792 I1094	L784-S788 PolarHBondContact O-N 3.28Å; L784-S788 VanDerWaalsContact O-N 3.11Å; K785-S788 PolarHBondContact O-N 2.89Å; Y786-S788 VanDerWaalsContact C-N 3.31Å; Y786-S788 PolarHBondContact O-N 3.14Å; S788-A790 PolarHBondContact O-N 3.16Å; S788-V791 PolarHBondContact O-N 3.37Å; S788-N792 WeakPolarHBondContact O-CB 3.47Å; S788-N792 VanDerWaalsContact O-CG 3.32Å; S788-N792 PolarHBondContact O-N 3.02Å; S788-N792 PolarHBondContact O-ND2 3.13Å; S788-I1094 WeakPolarHBondContact OG-CD1 3.34Å; S788-I1094 WeakPolarHBondContact OG-CG1 3.46Å
789	I	84.7	Confident	83.8	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-37	-178.2	-56.9	159.6	0	0	0	110.3	V776 R779 K785 Y786 N792 A793 E1097	V776-I789 HydrophobicContact CB-CG2 4.23Å; V776-I789 HydrophobicContact CG1-CB 4.05Å; V776-I789 HydrophobicContact CG1-CG2 4.02Å; V776-I789 HydrophobicContact CG2-CG2 4.05Å; R779-I789 HydrophobicContact CB-CD1 3.92Å; K785-I789 HydrophobicContact CD-CD1 4.22Å; K785-I789 HydrophobicContact CD-CG1 4.39Å; K785-I789 HydrophobicContact CG-CD1 3.85Å; K785-I789 HydrophobicContact CG-CG1 4.48Å; K785-I789 WeakPolarHBondContact O-CD1 3.43Å; K785-I789 VanDerWaalsContact O-CG1 3.25Å; K785-I789 WeakPolarHBondContact O-CG1 3.46Å; K785-I789 PolarHBondContact O-N 3.31Å; Y786-I789 PolarHBondContact O-N 3.24Å; I789-N792 PolarHBondContact O-N 3.43Å; I789-A793 WeakPolarHBondContact O-CB 3.33Å; I789-A793 PolarHBondContact O-N 2.96Å; I789-E1097 WeakPolarHBondContact CA-OE2 3.36Å; I789-E1097 WeakPolarHBondContact CG1-OE1 3.49Å; I789-E1097 WeakPolarHBondContact CG1-OE2 3.5Å
790	A	89.8	Confident	83.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.7	-42.2	178.8	0	0	0	0	0	113	Y747 F751 V776 Y786 S788 A793 L794	Y747-A790 HydrophobicContact CD1-CB 3.45Å; Y747-A790 VanDerWaalsContact CD1-CB 3.45Å; Y747-A790 HydrophobicContact CD2-CB 4.06Å; Y747-A790 HydrophobicContact CE1-CB 3.53Å; Y747-A790 HydrophobicContact CE2-CB 4.16Å; Y747-A790 HydrophobicContact CG-CB 3.72Å; F751-A790 WeakPolarHBondContact CE1-O 3.45Å; F751-A790 HydrophobicContact CZ-CB 4.32Å; V776-A790 HydrophobicContact CG1-CB 3.74Å; Y786-A790 HydrophobicContact CD1-CB 4.49Å; Y786-A790 HydrophobicContact CE1-CB 4.08Å; Y786-A790 WeakPolarHBondContact O-CB 3.47Å; Y786-A790 PolarHBondContact O-N 3.15Å; S788-A790 PolarHBondContact O-N 3.16Å; A790-A793 PolarHBondContact O-N 3.46Å; A790-L794 WeakPolarHBondContact O-CB 3.31Å; A790-L794 PolarHBondContact O-N 2.73Å
791	V	88	Confident	82.3	Confident	75 Å²	75	56.2 Å²	56.2	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-40.6	174.4	170.3	0	0	0	0	111	Y747 L787 S788 L794 K795	Y747-V791 HydrophobicContact CE1-CG2 4.14Å; Y747-V791 WeakPolarHBondContact OH-CG2 3.27Å; L787-V791 WeakPolarHBondContact O-CB 3.47Å; L787-V791 VanDerWaalsContact O-CG2 3.26Å; L787-V791 WeakPolarHBondContact O-CG2 3.37Å; L787-V791 PolarHBondContact O-N 2.94Å; S788-V791 PolarHBondContact O-N 3.37Å; V791-L794 PolarHBondContact O-N 3.26Å; V791-K795 PolarHBondContact O-N 3.38Å
792	N	79.1	Confident	81.3	Confident	23 Å²	23	53.9 Å²	53.9	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-45.5	174.9	-75.2	-18.9	0	0	0	111.7	S788 I789 L794 K795 R796 I1094 E1097	S788-N792 WeakPolarHBondContact O-CB 3.47Å; S788-N792 VanDerWaalsContact O-CG 3.32Å; S788-N792 PolarHBondContact O-N 3.02Å; S788-N792 PolarHBondContact O-ND2 3.13Å; I789-N792 PolarHBondContact O-N 3.43Å; N792-L794 PolarHBondContact O-N 3.13Å; N792-K795 PolarHBondContact O-N 3.01Å; N792-R796 PolarHBondContact O-N 3.33Å; N792-I1094 PolarHBondContact ND2-O 2.92Å; N792-E1097 PolarHBondContact ND2-OE2 3.34Å
793	A	84.8	Confident	79.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-43.9	172.9	0	0	0	0	0	112.1	F751 E772 V776 I789 A790 K795 R796 L797	F751-A793 HydrophobicContact CE1-CB 3.83Å; F751-A793 HydrophobicContact CZ-CB 3.86Å; E772-A793 HydrophobicContact CG-CB 4.29Å; E772-A793 WeakPolarHBondContact OE1-CB 3.47Å; V776-A793 HydrophobicContact CG2-CB 4.1Å; I789-A793 WeakPolarHBondContact O-CB 3.33Å; I789-A793 PolarHBondContact O-N 2.96Å; A790-A793 PolarHBondContact O-N 3.46Å; A793-K795 PolarHBondContact O-N 2.93Å; A793-R796 WeakPolarHBondContact O-CB 3.48Å; A793-R796 PolarHBondContact O-N 2.63Å; A793-L797 WeakPolarHBondContact O-CG 3.24Å; A793-L797 PolarHBondContact O-N 3.21Å
794	L	87.4	Confident	77.8	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-37.3	177.7	-166.2	73.2	0	0	0	112.4	M750 F751 E754 A790 V791 N792 L797 K798	M750-L794 HydrophobicContact CB-CD1 3.98Å; M750-L794 HydrophobicContact CB-CD2 4.38Å; M750-L794 HydrophobicContact CE-CD2 3.62Å; M750-L794 WeakPolarHBondContact O-CD1 3.36Å; F751-L794 HydrophobicContact CD1-CB 4.43Å; F751-L794 HydrophobicContact CD1-CD1 3.8Å; F751-L794 HydrophobicContact CE1-CB 4.01Å; F751-L794 HydrophobicContact CE1-CD1 4.2Å; E754-L794 HydrophobicContact CG-CD1 3.67Å; A790-L794 WeakPolarHBondContact O-CB 3.31Å; A790-L794 PolarHBondContact O-N 2.73Å; V791-L794 PolarHBondContact O-N 3.26Å; N792-L794 PolarHBondContact O-N 3.13Å; L794-L797 PolarHBondContact O-N 3.05Å; L794-K798 HydrophobicContact CG-CD 4.24Å; L794-K798 WeakPolarHBondContact O-CB 3.3Å; L794-K798 VanDerWaalsContact O-CG 3.32Å; L794-K798 WeakPolarHBondContact O-CG 3.24Å; L794-K798 PolarHBondContact O-N 3.47Å
795	K	81.6	Confident	76.4	Confident	93 Å²	93	51.5 Å²	51.5	40%	0.404	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-43.9	174.3	-171	-178.1	177.8	-173.7	0	110.6	V791 N792 A793 K798 N799 R1093	V791-K795 PolarHBondContact O-N 3.38Å; N792-K795 PolarHBondContact O-N 3.01Å; A793-K795 PolarHBondContact O-N 2.93Å; K795-K798 PolarHBondContact O-N 3.04Å; K795-N799 VanDerWaalsContact O-CG 3.26Å; K795-N799 PolarHBondContact O-N 3.05Å; K795-N799 PolarHBondContact O-OD1 2.78Å; K795-R1093 VanDerWaalsContact NZ-NH1 3.11Å
796	R	83.4	Confident	74.6	Confident	102 Å²	102	58 Å²	58	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-57.4	-50.7	173.3	171.2	172.1	58.8	-104.8	1.1	111.9	E772 N792 A793 K798 N799 Q800	E772-R796 IonicContact OE1-CZ 2.57Å; E772-R796 IonicContact OE1-NE 3.78Å; E772-R796 IonicContact OE1-NH2 3.36Å; E772-R796 PolarHBondContact OE1-NH2 3.15Å; N792-R796 PolarHBondContact O-N 3.33Å; A793-R796 WeakPolarHBondContact O-CB 3.48Å; A793-R796 PolarHBondContact O-N 2.63Å; R796-K798 PolarHBondContact O-N 2.94Å; R796-N799 PolarHBondContact O-N 3.26Å; R796-Q800 WeakPolarHBondContact O-CG 3.37Å; R796-Q800 PolarHBondContact O-N 3.32Å; R796-Q800 VanDerWaalsContact O-N 3.12Å
797	L	82.9	Confident	72.3	Confident	10 Å²	10	64.1 Å²	64.1	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-39.7	179.7	-67.5	171.3	0	0	0	112.4	F751 E754 F755 A793 L794 Q800 S801	F751-L797 HydrophobicContact CB-CD1 4.29Å; F751-L797 HydrophobicContact CD1-CD1 3.69Å; F751-L797 HydrophobicContact CE1-CD1 4.39Å; F751-L797 HydrophobicContact CG-CD1 4.23Å; E754-L797 HydrophobicContact CB-CB 3.91Å; E754-L797 HydrophobicContact CG-CB 4.26Å; F755-L797 HydrophobicContact CD1-CD2 4.28Å; F755-L797 HydrophobicContact CD2-CD1 4.49Å; F755-L797 HydrophobicContact CE1-CD2 3.54Å; F755-L797 HydrophobicContact CE2-CD1 3.9Å; F755-L797 HydrophobicContact CE2-CD2 4.2Å; F755-L797 HydrophobicContact CZ-CD1 4.01Å; F755-L797 HydrophobicContact CZ-CD2 3.5Å; F755-L797 VanDerWaalsContact CZ-CD2 3.5Å; F755-L797 HydrophobicContact CZ-CG 4.43Å; A793-L797 WeakPolarHBondContact O-CG 3.24Å; A793-L797 PolarHBondContact O-N 3.21Å; L794-L797 PolarHBondContact O-N 3.05Å; L797-Q800 PolarHBondContact O-N 2.57Å; L797-S801 PolarHBondContact O-N 2.83Å; L797-S801 PolarHBondContact O-OG 3.48Å
798	K	83.3	Confident	69.8	Low	92 Å²	92	71.4 Å²	71.4	40%	0.4	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-40.5	174.5	-80	173.9	175.7	-179.9	0	113	E754 L794 K795 R796 Q800 S801 A802	E754-K798 HydrophobicContact CG-CG 3.96Å; E754-K798 WeakPolarHBondContact OE1-CE 3.43Å; E754-K798 VanDerWaalsContact OE1-CG 3.26Å; E754-K798 WeakPolarHBondContact OE1-CG 3.44Å; E754-K798 WeakPolarHBondContact OE2-CG 3.44Å; L794-K798 HydrophobicContact CG-CD 4.24Å; L794-K798 WeakPolarHBondContact O-CB 3.3Å; L794-K798 VanDerWaalsContact O-CG 3.32Å; L794-K798 WeakPolarHBondContact O-CG 3.24Å; L794-K798 PolarHBondContact O-N 3.47Å; K795-K798 PolarHBondContact O-N 3.04Å; R796-K798 PolarHBondContact O-N 2.94Å; K798-Q800 VanDerWaalsContact C-N 3.33Å; K798-S801 PolarHBondContact O-N 3.32Å; K798-S801 PolarHBondContact O-OG 3.35Å; K798-A802 VanDerWaalsContact O-CB 3.26Å; K798-A802 WeakPolarHBondContact O-CB 3.36Å; K798-A802 PolarHBondContact O-N 2.8Å
799	N	72.4	Confident	67.6	Low	100 Å²	100	78.6 Å²	78.6	54%	0.535	38%	0.383	S	S	.	.	H	α-helix	trans	-66.5	-37.5	177.1	-70.6	-1.4	0	0	0	111.4	K795 R796 T803	K795-N799 VanDerWaalsContact O-CG 3.26Å; K795-N799 PolarHBondContact O-N 3.05Å; K795-N799 PolarHBondContact O-OD1 2.78Å; R796-N799 PolarHBondContact O-N 3.26Å; N799-T803 WeakPolarHBondContact O-CG2 3.27Å; N799-T803 PolarHBondContact O-N 2.99Å; N799-T803 PolarHBondContact O-OG1 2.86Å
800	Q	69.9	Low	65.2	Low	103 Å²	103	84.8 Å²	84.8	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-65	-50	172.8	-67	169	-3.1	0	0	111.5	R796 L797 K798 A802 T803 A804	R796-Q800 WeakPolarHBondContact O-CG 3.37Å; R796-Q800 PolarHBondContact O-N 3.32Å; R796-Q800 VanDerWaalsContact O-N 3.12Å; L797-Q800 PolarHBondContact O-N 2.57Å; K798-Q800 VanDerWaalsContact C-N 3.33Å; Q800-A802 VanDerWaalsContact C-N 3.34Å; Q800-A802 PolarHBondContact O-N 2.8Å; Q800-T803 PolarHBondContact O-N 3.37Å; Q800-T803 VanDerWaalsContact O-N 3.15Å; Q800-T803 PolarHBondContact O-OG1 2.96Å; Q800-A804 PolarHBondContact O-N 3.41Å; Q800-A804 VanDerWaalsContact O-N 3.09Å
801	S	66.4	Low	62.7	Low	9 Å²	9	94.6 Å²	94.6	6%	0.063	47%	0.467	C	S	.	.	H	α-helix	trans	-67.4	-29.7	-178.3	75.4	0	0	0	0	113.6	E754 L797 K798	E754-S801 PolarHBondContact OE2-OG 2.78Å; L797-S801 PolarHBondContact O-N 2.83Å; L797-S801 PolarHBondContact O-OG 3.48Å; K798-S801 PolarHBondContact O-N 3.32Å; K798-S801 PolarHBondContact O-OG 3.35Å
802	A	59.5	Low	60.1	Low	63 Å²	63	95.9 Å²	95.9	52%	0.521	48%	0.479	S	S	.	.	H	α-helix	trans	-66.5	-38.7	171.5	0	0	0	0	0	112.6	K798 Q800	K798-A802 VanDerWaalsContact O-CB 3.26Å; K798-A802 WeakPolarHBondContact O-CB 3.36Å; K798-A802 PolarHBondContact O-N 2.8Å; Q800-A802 VanDerWaalsContact C-N 3.34Å; Q800-A802 PolarHBondContact O-N 2.8Å
803	T	51.2	Low	58.1	Low	43 Å²	43	103.1 Å²	103.1	26%	0.264	51%	0.512	S	S	.	.	H	α-helix	trans	-78.3	-33.5	-178.3	55	0	0	0	0	113.6	N799 Q800 K805 K806	N799-T803 WeakPolarHBondContact O-CG2 3.27Å; N799-T803 PolarHBondContact O-N 2.99Å; N799-T803 PolarHBondContact O-OG1 2.86Å; Q800-T803 PolarHBondContact O-N 3.37Å; Q800-T803 VanDerWaalsContact O-N 3.15Å; Q800-T803 PolarHBondContact O-OG1 2.96Å; T803-K805 PolarHBondContact O-N 3.28Å; T803-K806 PolarHBondContact O-N 3.02Å
804	A	49.3	Very low	56	Low	44 Å²	44	111 Å²	111	36%	0.364	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.1	173.5	0	0	0	0	0	114	T758 Q800	T758-A804 HydrophobicContact CG2-CB 4.37Å; Q800-A804 PolarHBondContact O-N 3.41Å; Q800-A804 VanDerWaalsContact O-N 3.09Å
805	K	50.8	Low	54.2	Low	176 Å²	176	114.9 Å²	114.9	77%	0.765	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-13.8	174.7	-68.5	-171.2	176.8	-174.4	0	115	T803	T803-K805 PolarHBondContact O-N 3.28Å
806	K	42.9	Very low	53.1	Low	195 Å²	195	116 Å²	116	85%	0.848	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-23.1	175.6	-87.9	-173.7	172.2	-178.8	0	113.9	T803	T803-K806 PolarHBondContact O-N 3.02Å
807	E	42.4	Very low	52.2	Low	128 Å²	128	111.1 Å²	111.1	60%	0.598	55%	0.554	S	S	*	*			trans	-124.1	71.9	-165.6	-68.2	170.5	140.2	0	0	111.2	Q809 R814	E807-Q809 PolarHBondContact O-N 3.32Å; E807-R814 IonicContact OE2-NH2 2.77Å
808	K	36.3	Very low	52	Low	206 Å²	206	114.3 Å²	114.3	90%	0.896	57%	0.571	S	S	*	*			trans	-86.7	45.6	170.5	-93.2	-161.3	173.5	-170.5	0	113.1
809	Q	34.2	Very low	52.1	Low	173 Å²	173	112.7 Å²	112.7	81%	0.808	57%	0.567	S	S	*	*	S	Bend	trans	-155.3	143.2	161.7	-112.6	168	14.6	0	0	109.8	E807	E807-Q809 PolarHBondContact O-N 3.32Å
810	T	32.8	Very low	52.6	Low	133 Å²	133	112.8 Å²	112.8	82%	0.816	57%	0.573	S	S	*	*			trans	63.1	88.9	-179.5	-45.8	0	0	0	0	114.9	S812	T810-S812 PolarHBondContact O-N 2.82Å
811	Q	37.7	Very low	53.2	Low	207 Å²	207	109.8 Å²	109.8	97%	0.967	56%	0.558	S	S	*	*			trans	-70.9	96	168.3	-177.8	178.8	3.7	0	0	110.3
812	S	33.1	Very low	53.5	Low	102 Å²	102	112.8 Å²	112.8	71%	0.713	57%	0.573	S	S	*	*			trans	-120.5	158.8	159.7	-168.5	0	0	0	0	109.4	T810	T810-S812 PolarHBondContact O-N 2.82Å
813	Q	37.4	Very low	53.9	Low	175 Å²	175	116.5 Å²	116.5	82%	0.818	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-63.2	142.2	163.6	-58.2	-166.5	27.5	0	0	108.2	P815	Q813-P815 WeakPolarHBondContact O-CD 3.28Å
814	R	42	Very low	54.3	Low	166 Å²	166	125.2 Å²	125.2	63%	0.626	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-61.1	120.2	164.9	-76.9	-178.2	165.2	-150.4	-11.6	106.9	E807 K816	E807-R814 IonicContact OE2-NH2 2.77Å; R814-K816 PolarHBondContact O-N 2.91Å
815	P	48.1	Very low	54.7	Low	92 Å²	92	127 Å²	127	60%	0.597	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-60.8	135	175.2	26.5	-33.1	0	0	0	108.4	Q813	Q813-P815 WeakPolarHBondContact O-CD 3.28Å
816	K	59.7	Low	55	Low	117 Å²	117	121.1 Å²	121.1	51%	0.509	58%	0.583	S	S	.	*	S	Bend	trans	-69.6	138.4	151.9	-76.3	-174	162.7	-131	0	106.4	R814 F999 D1103	R814-K816 PolarHBondContact O-N 2.91Å; K816-F999 VanDerWaalsContact O-CE2 3.29Å; K816-F999 WeakPolarHBondContact O-CE2 3.31Å; K816-D1103 IonicContact NZ-OD1 2.71Å; K816-D1103 PolarHBondContact NZ-OD1 2.91Å
817	G	64.1	Low	55.4	Low	0 Å²	0	120.3 Å²	120.3	0%	0	58%	0.58	C	S	.	*	S	Bend	trans	71.4	172.7	-174.6	0	0	0	0	0	113.6	I819 D997	G817-I819 VanDerWaalsContact C-N 3.32Å; G817-I819 PolarHBondContact O-N 2.84Å; G817-D997 CarbonylContact C-O 3.59Å; G817-D997 VanDerWaalsContact CA-CG 3.49Å; G817-D997 VanDerWaalsContact CA-OD2 3.31Å; G817-D997 WeakPolarHBondContact CA-OD2 3.41Å; G817-D997 PolarHBondContact N-OD2 2.77Å
818	N	78.9	Confident	55.9	Low	76 Å²	76	119.5 Å²	119.5	41%	0.406	58%	0.576	S	S	.	*			trans	55.8	39.4	173.3	-52.2	-10	0	0	0	114.1	P820 D997 T998 F999 N1024	N818-P820 VanDerWaalsContact O-CD 3.27Å; N818-P820 WeakPolarHBondContact O-CD 3.37Å; N818-D997 CarbonylContact C-O 3.55Å; N818-D997 VanDerWaalsContact CA-O 3.24Å; N818-D997 WeakPolarHBondContact CA-O 3.22Å; N818-D997 PolarHBondContact N-O 2.96Å; N818-T998 PolarHBondContact OD1-OG1 2.86Å; N818-F999 PolarHBondContact OD1-N 2.77Å; N818-N1024 PolarHBondContact OD1-ND2 3.28Å
819	I	84	Confident	56.5	Low	59 Å²	59	117.1 Å²	117.1	30%	0.303	57%	0.573	S	S	.	*	B	Isolated β-bridge	trans	-85.7	103.7	163	-60.6	174.5	0	0	0	107.4	G817 V994 D997	G817-I819 VanDerWaalsContact C-N 3.32Å; G817-I819 PolarHBondContact O-N 2.84Å; I819-V994 HydrophobicContact CD1-CB 4.31Å; I819-V994 HydrophobicContact CD1-CG1 3.83Å; I819-D997 HydrophobicContact CB-CB 4.04Å; I819-D997 HydrophobicContact CD1-CB 4.12Å; I819-D997 HydrophobicContact CG1-CB 4.22Å; I819-D997 PolarHBondContact N-O 3.07Å; I819-D997 PolarHBondContact O-N 3.45Å
820	P	83.3	Confident	57.5	Low	102 Å²	102	111.6 Å²	111.6	66%	0.662	56%	0.563	S	S	*	*			trans	-67	148.6	-179.6	29.3	-35.9	0	0	0	111	N818 N822	N818-P820 VanDerWaalsContact O-CD 3.27Å; N818-P820 WeakPolarHBondContact O-CD 3.37Å; P820-N822 PolarHBondContact O-N 3.48Å
821	F	82.6	Confident	59.4	Low	40 Å²	40	107 Å²	107	18%	0.175	53%	0.533	C	S	.	.			trans	-55.3	123.8	-177.9	172.5	-121.9	0	0	0	111.9	Q823 M826 V995 Y996 T1034 F1038	F821-Q823 HydrophobicContact CD1-CG 4.11Å; F821-Q823 HydrophobicContact CE1-CG 3.42Å; F821-Q823 VanDerWaalsContact CE1-CG 3.42Å; F821-Q823 HydrophobicContact CZ-CG 3.94Å; F821-M826 HydrophobicContact CE2-CE 3.96Å; F821-M826 HydrophobicContact CE2-CG 4.36Å; F821-M826 HydrophobicContact CE2-SD 3.7Å; F821-M826 HydrophobicContact CZ-CE 4.5Å; F821-M826 HydrophobicContact CZ-CG 4.11Å; F821-M826 HydrophobicContact CZ-SD 3.63Å; F821-V995 HydrophobicContact CD2-CG1 3.71Å; F821-V995 HydrophobicContact CE2-CG1 3.68Å; F821-Y996 HydrophobicContact CB-CD2 4.13Å; F821-T1034 HydrophobicContact CB-CG2 3.8Å; F821-T1034 HydrophobicContact CG-CG2 4.4Å; F821-F1038 HydrophobicContact CD1-CD1 4.23Å; F821-F1038 AromaticContact CD2-CD1 3.74Å; F821-F1038 HydrophobicContact CD2-CD1 3.74Å; F821-F1038 AromaticContact CD2-CE1 3.73Å; F821-F1038 HydrophobicContact CD2-CE1 3.73Å; F821-F1038 HydrophobicContact CD2-CG 4.33Å; F821-F1038 HydrophobicContact CD2-CZ 4.3Å; F821-F1038 HydrophobicContact CE1-CB 4.12Å; F821-F1038 AromaticContact CE1-CD1 3.92Å; F821-F1038 HydrophobicContact CE1-CD1 3.92Å; F821-F1038 HydrophobicContact CE1-CG 4.28Å; F821-F1038 HydrophobicContact CE2-CB 4.02Å; F821-F1038 AromaticContact CE2-CD1 3.41Å; F821-F1038 HydrophobicContact CE2-CD1 3.41Å; F821-F1038 VanDerWaalsContact CE2-CD1 3.41Å; F821-F1038 HydrophobicContact CE2-CD2 4.02Å; F821-F1038 AromaticContact CE2-CE1 3.79Å; F821-F1038 HydrophobicContact CE2-CE1 3.79Å; F821-F1038 HydrophobicContact CE2-CE2 4.34Å; F821-F1038 AromaticContact CE2-CG 3.54Å; F821-F1038 HydrophobicContact CE2-CG 3.54Å; F821-F1038 HydrophobicContact CE2-CZ 4.24Å; F821-F1038 HydrophobicContact CG-CD1 4.16Å; F821-F1038 HydrophobicContact CG-CE1 4.25Å; F821-F1038 HydrophobicContact CZ-CB 3.48Å; F821-F1038 VanDerWaalsContact CZ-CB 3.48Å; F821-F1038 AromaticContact CZ-CD1 3.52Å; F821-F1038 HydrophobicContact CZ-CD1 3.52Å; F821-F1038 HydrophobicContact CZ-CD2 4.35Å; F821-F1038 HydrophobicContact CZ-CE1 4.34Å; F821-F1038 AromaticContact CZ-CG 3.53Å; F821-F1038 HydrophobicContact CZ-CG 3.53Å
822	N	72.9	Confident	61.8	Low	71 Å²	71	101.3 Å²	101.3	38%	0.38	51%	0.509	S	S	.	.			trans	-113.6	90.6	-174.4	-166.4	-32.4	0	0	0	112.2	P820 R824 K825	P820-N822 PolarHBondContact O-N 3.48Å; N822-R824 PolarHBondContact O-N 2.96Å; N822-R824 WeakPolarHBondContact OD1-CB 3.48Å; N822-R824 PolarHBondContact OD1-N 2.85Å; N822-R824 VanDerWaalsContact OD1-N 3.13Å; N822-K825 HydrophobicContact CB-CG 4.35Å; N822-K825 WeakPolarHBondContact O-CB 3.17Å; N822-K825 PolarHBondContact O-N 2.99Å
823	Q	68.5	Low	64.4	Low	141 Å²	141	101.4 Å²	101.4	66%	0.659	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-49.1	-25.7	176.9	-70.7	179.5	-13.1	0	0	114.7	F821 K825 M826	F821-Q823 HydrophobicContact CD1-CG 4.11Å; F821-Q823 HydrophobicContact CE1-CG 3.42Å; F821-Q823 VanDerWaalsContact CE1-CG 3.42Å; F821-Q823 HydrophobicContact CZ-CG 3.94Å; Q823-K825 VanDerWaalsContact C-N 3.27Å; Q823-K825 PolarHBondContact O-N 3.37Å; Q823-M826 WeakPolarHBondContact O-CB 3.45Å; Q823-M826 VanDerWaalsContact O-CG 3.29Å; Q823-M826 WeakPolarHBondContact O-CG 3.36Å; Q823-M826 PolarHBondContact O-N 3.21Å
824	R	58.6	Low	67	Low	227 Å²	227	94 Å²	94	86%	0.857	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-71.8	-20.6	179.6	-57.4	-176.2	-177.1	176.3	1.9	113	N822 M826	N822-R824 PolarHBondContact O-N 2.96Å; N822-R824 WeakPolarHBondContact OD1-CB 3.48Å; N822-R824 PolarHBondContact OD1-N 2.85Å; N822-R824 VanDerWaalsContact OD1-N 3.13Å; R824-M826 VanDerWaalsContact C-N 3.31Å
825	K	58.7	Low	69.4	Low	80 Å²	80	87 Å²	87	35%	0.348	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-77.7	-12.3	173.6	-64.6	-168.5	-177.8	-174.3	0	113.7	N822 Q823 K827 Q993 V994	N822-K825 HydrophobicContact CB-CG 4.35Å; N822-K825 WeakPolarHBondContact O-CB 3.17Å; N822-K825 PolarHBondContact O-N 2.99Å; Q823-K825 VanDerWaalsContact C-N 3.27Å; Q823-K825 PolarHBondContact O-N 3.37Å; K825-K827 VanDerWaalsContact C-N 3.3Å; K825-K827 PolarHBondContact O-N 3.45Å; K825-Q993 HydrophobicContact CD-CB 4.48Å; K825-V994 PolarHBondContact NZ-O 3.46Å
826	M	56.9	Low	71.6	Confident	54 Å²	54	87.7 Å²	87.7	27%	0.266	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-74.2	-16.4	-177.3	-54.5	-90	85	0	0	113.7	F821 Q823 R824 E828 Y967 V995 F1038	F821-M826 HydrophobicContact CE2-CE 3.96Å; F821-M826 HydrophobicContact CE2-CG 4.36Å; F821-M826 HydrophobicContact CE2-SD 3.7Å; F821-M826 HydrophobicContact CZ-CE 4.5Å; F821-M826 HydrophobicContact CZ-CG 4.11Å; F821-M826 HydrophobicContact CZ-SD 3.63Å; Q823-M826 WeakPolarHBondContact O-CB 3.45Å; Q823-M826 VanDerWaalsContact O-CG 3.29Å; Q823-M826 WeakPolarHBondContact O-CG 3.36Å; Q823-M826 PolarHBondContact O-N 3.21Å; R824-M826 VanDerWaalsContact C-N 3.31Å; M826-E828 PolarHBondContact O-N 2.89Å; M826-Y967 HydrophobicContact CE-CE1 3.48Å; M826-Y967 VanDerWaalsContact CE-CE1 3.48Å; M826-Y967 WeakPolarHBondContact CE-OH 3.4Å; M826-Y967 PolarHBondContact SD-OH 2.79Å; M826-V995 HydrophobicContact CE-CG1 3.61Å; M826-V995 HydrophobicContact CE-CG2 4.14Å; M826-F1038 HydrophobicContact CE-CD2 4.27Å; M826-F1038 HydrophobicContact SD-CB 3.99Å; M826-F1038 HydrophobicContact SD-CD2 4.09Å; M826-F1038 HydrophobicContact SD-CG 4.26Å
827	K	51.7	Low	73.2	Confident	177 Å²	177	85.7 Å²	85.7	77%	0.77	43%	0.434	S	S	*	.			trans	-97	46.2	-166.6	-69.2	-163	172.5	-169.5	0	114.4	K825	K825-K827 VanDerWaalsContact C-N 3.3Å; K825-K827 PolarHBondContact O-N 3.45Å
828	E	53.3	Low	74.6	Confident	111 Å²	111	85.7 Å²	85.7	52%	0.519	43%	0.434	S	S	.	.			trans	-96.9	95	167.4	-64.4	-167.4	125.5	0	0	109.1	M826 G830 S991	M826-E828 PolarHBondContact O-N 2.89Å; E828-G830 PolarHBondContact O-N 2.86Å; E828-S991 WeakPolarHBondContact OE2-CB 3.38Å; E828-S991 PolarHBondContact OE2-OG 2.91Å
829	N	48.6	Very low	75.4	Confident	157 Å²	157	86.7 Å²	86.7	84%	0.84	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	13.9	-175.1	-72.8	7	0	0	0	115.1
830	G	54.9	Low	75.9	Confident	57 Å²	57	87 Å²	87	59%	0.588	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-19.1	-178.7	0	0	0	0	0	114.9	E828 L832	E828-G830 PolarHBondContact O-N 2.86Å; G830-L832 VanDerWaalsContact C-N 3.34Å; G830-L832 PolarHBondContact O-N 3.3Å
831	D	73.5	Confident	76.5	Confident	35 Å²	35	84.2 Å²	84.2	19%	0.187	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.7	-161.9	-76.8	-12.7	0	0	0	116.3	V833 L834 Y835 S990	D831-V833 VanDerWaalsContact C-N 3.29Å; D831-V833 PolarHBondContact O-N 3.25Å; D831-L834 WeakPolarHBondContact O-CB 3.43Å; D831-L834 PolarHBondContact O-N 2.68Å; D831-Y835 VanDerWaalsContact O-CB 3.28Å; D831-Y835 WeakPolarHBondContact O-CB 3.41Å; D831-Y835 PolarHBondContact O-N 3.31Å; D831-S990 VanDerWaalsContact CG-OG 3.28Å; D831-S990 WeakPolarHBondContact OD1-CB 3.37Å; D831-S990 PolarHBondContact OD1-OG 3.03Å; D831-S990 VanDerWaalsContact OD2-CB 3.25Å; D831-S990 WeakPolarHBondContact OD2-CB 3.36Å; D831-S990 PolarHBondContact OD2-OG 3.37Å
832	L	86.4	Confident	77.2	Confident	89 Å²	89	84 Å²	84	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-59.1	-39.2	178.9	-76.3	170.7	0	0	0	112.7	G830 E836 C963	G830-L832 VanDerWaalsContact C-N 3.34Å; G830-L832 PolarHBondContact O-N 3.3Å; L832-E836 PolarHBondContact O-N 2.97Å; L832-E836 VanDerWaalsContact O-N 3.08Å; L832-C963 HydrophobicContact CD2-CB 3.65Å; L832-C963 HydrophobicContact CG-CB 4.01Å
833	V	88.8	Confident	78.4	Confident	104 Å²	104	81.2 Å²	81.2	63%	0.63	42%	0.416	S	S	*	.	H	α-helix	trans	-72.1	-36	178.5	-178.2	0	0	0	0	111.3	D831 I837	D831-V833 VanDerWaalsContact C-N 3.29Å; D831-V833 PolarHBondContact O-N 3.25Å; V833-I837 HydrophobicContact CG1-CD1 4Å; V833-I837 WeakPolarHBondContact O-CD1 3.28Å; V833-I837 VanDerWaalsContact O-CG1 3.24Å; V833-I837 WeakPolarHBondContact O-CG1 3.46Å; V833-I837 PolarHBondContact O-N 3.2Å
834	L	91.3	Very high	79.7	Confident	20 Å²	20	77.6 Å²	77.6	11%	0.105	40%	0.404	C	S	.	.	H	α-helix	trans	-65	-46	174.4	174.6	59.3	0	0	0	110.7	D831 I837 L838 V966 L1116 M1119	D831-L834 WeakPolarHBondContact O-CB 3.43Å; D831-L834 PolarHBondContact O-N 2.68Å; L834-I837 PolarHBondContact O-N 3.07Å; L834-L838 HydrophobicContact CD1-CD1 3.57Å; L834-L838 HydrophobicContact CD1-CG 3.98Å; L834-L838 HydrophobicContact CG-CD1 3.9Å; L834-L838 WeakPolarHBondContact O-CB 3.47Å; L834-L838 WeakPolarHBondContact O-CG 3.4Å; L834-L838 PolarHBondContact O-N 2.95Å; L834-V966 HydrophobicContact CG-CG2 4.32Å; L834-L1116 HydrophobicContact CD1-CD2 3.69Å; L834-L1116 HydrophobicContact CD2-CD2 4.47Å; L834-M1119 HydrophobicContact CD1-CE 3.56Å; L834-M1119 HydrophobicContact CD1-SD 3.56Å; L834-M1119 VanDerWaalsContact CD1-SD 3.56Å
835	Y	93.6	Very high	81.3	Confident	18 Å²	18	72.6 Å²	72.6	7%	0.071	39%	0.394	C	S	.	.	H	α-helix	trans	-60	-55.2	179.4	177	-91.8	0	0	0	112.5	D831 I837 L838 K839 P964 V966 D1042 I1044	D831-Y835 VanDerWaalsContact O-CB 3.28Å; D831-Y835 WeakPolarHBondContact O-CB 3.41Å; D831-Y835 PolarHBondContact O-N 3.31Å; Y835-I837 PolarHBondContact O-N 3.01Å; Y835-L838 PolarHBondContact O-N 2.88Å; Y835-L838 VanDerWaalsContact O-N 3.14Å; Y835-K839 HydrophobicContact CE1-CD 4.09Å; Y835-K839 WeakPolarHBondContact O-CB 3.45Å; Y835-K839 PolarHBondContact O-N 2.93Å; Y835-P964 HydrophobicContact CE1-CG 4.24Å; Y835-P964 HydrophobicContact CE2-CB 3.86Å; Y835-P964 HydrophobicContact CE2-CG 3.86Å; Y835-V966 HydrophobicContact CD2-CG2 4.09Å; Y835-D1042 VanDerWaalsContact CE2-O 3.25Å; Y835-D1042 WeakPolarHBondContact CE2-O 3.12Å; Y835-D1042 PolarHBondContact OH-O 3.48Å; Y835-I1044 HydrophobicContact CD2-CD1 3.46Å; Y835-I1044 VanDerWaalsContact CD2-CD1 3.46Å; Y835-I1044 HydrophobicContact CD2-CG1 3.9Å; Y835-I1044 HydrophobicContact CE2-CD1 3.63Å; Y835-I1044 HydrophobicContact CE2-CG1 3.68Å; Y835-I1044 HydrophobicContact CG-CD1 4.11Å; Y835-I1044 WeakPolarHBondContact O-CD1 3.34Å
836	E	93.1	Very high	82.9	Confident	106 Å²	106	75.1 Å²	75.1	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-24.4	-178.4	-69.1	-60.7	146.9	0	0	113.1	L832 K839	L832-E836 PolarHBondContact O-N 2.97Å; L832-E836 VanDerWaalsContact O-N 3.08Å; E836-K839 IonicContact OE1-NZ 3.78Å; E836-K839 PolarHBondContact OE1-NZ 3.23Å; E836-K839 WeakPolarHBondContact OE2-CD 3.32Å; E836-K839 IonicContact OE2-NZ 2.98Å; E836-K839 PolarHBondContact OE2-NZ 3.4Å
837	I	93.1	Very high	84.6	Confident	75 Å²	75	75.9 Å²	75.9	39%	0.385	41%	0.41	S	S	.	.	H	α-helix	trans	-76.4	-44.4	170.9	-62.7	166.9	0	0	0	111	V833 L834 Y835 K839 G840 Y841 M1119	V833-I837 HydrophobicContact CG1-CD1 4Å; V833-I837 WeakPolarHBondContact O-CD1 3.28Å; V833-I837 VanDerWaalsContact O-CG1 3.24Å; V833-I837 WeakPolarHBondContact O-CG1 3.46Å; V833-I837 PolarHBondContact O-N 3.2Å; L834-I837 PolarHBondContact O-N 3.07Å; Y835-I837 PolarHBondContact O-N 3.01Å; I837-K839 VanDerWaalsContact C-N 3.29Å; I837-K839 PolarHBondContact O-N 3.41Å; I837-G840 PolarHBondContact O-N 3.03Å; I837-Y841 HydrophobicContact CG2-CE2 4.06Å; I837-Y841 VanDerWaalsContact O-CD2 3.26Å; I837-Y841 WeakPolarHBondContact O-CD2 3.31Å; I837-Y841 WeakPolarHBondContact O-CE2 3.23Å; I837-M1119 HydrophobicContact CB-CE 3.84Å; I837-M1119 HydrophobicContact CD1-CE 3.94Å; I837-M1119 HydrophobicContact CG2-CE 3.7Å; I837-M1119 HydrophobicContact CG2-CG 3.86Å; I837-M1119 HydrophobicContact CG2-SD 4.18Å
838	L	95.1	Very high	86.6	Confident	1 Å²	1	68 Å²	68	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-68.2	-27.2	-179.4	-75.9	176.8	0	0	0	113.7	L834 Y835 G840 Y841 T842 V966 I1044 M1115 M1119	L834-L838 HydrophobicContact CD1-CD1 3.57Å; L834-L838 HydrophobicContact CD1-CG 3.98Å; L834-L838 HydrophobicContact CG-CD1 3.9Å; L834-L838 WeakPolarHBondContact O-CB 3.47Å; L834-L838 WeakPolarHBondContact O-CG 3.4Å; L834-L838 PolarHBondContact O-N 2.95Å; Y835-L838 PolarHBondContact O-N 2.88Å; Y835-L838 VanDerWaalsContact O-N 3.14Å; L838-G840 PolarHBondContact O-N 3.42Å; L838-G840 VanDerWaalsContact O-N 3.15Å; L838-Y841 HydrophobicContact CD2-CD2 4.49Å; L838-Y841 WeakPolarHBondContact O-CA 3.38Å; L838-Y841 PolarHBondContact O-N 3.11Å; L838-T842 PolarHBondContact O-N 3.33Å; L838-V966 HydrophobicContact CD1-CB 4.46Å; L838-V966 HydrophobicContact CD1-CG1 3.45Å; L838-V966 VanDerWaalsContact CD1-CG1 3.45Å; L838-V966 HydrophobicContact CD1-CG2 4.27Å; L838-I1044 HydrophobicContact CB-CD1 3.79Å; L838-M1115 HydrophobicContact CD2-CB 4.01Å; L838-M1115 HydrophobicContact CD2-CE 3.64Å; L838-M1115 HydrophobicContact CD2-CG 4.46Å; L838-M1119 HydrophobicContact CD1-SD 4.45Å; L838-M1119 HydrophobicContact CD2-CG 4.24Å; L838-M1119 HydrophobicContact CD2-SD 3.56Å; L838-M1119 VanDerWaalsContact CD2-SD 3.56Å; L838-M1119 HydrophobicContact CG-SD 3.73Å
839	K	94.7	Very high	88.4	Confident	97 Å²	97	65.9 Å²	65.9	42%	0.422	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.4	168.9	-168.1	178.8	176.3	-171.3	0	113.6	Y835 E836 I837 Y841 T842 I1044	Y835-K839 HydrophobicContact CE1-CD 4.09Å; Y835-K839 WeakPolarHBondContact O-CB 3.45Å; Y835-K839 PolarHBondContact O-N 2.93Å; E836-K839 IonicContact OE1-NZ 3.78Å; E836-K839 PolarHBondContact OE1-NZ 3.23Å; E836-K839 WeakPolarHBondContact OE2-CD 3.32Å; E836-K839 IonicContact OE2-NZ 2.98Å; E836-K839 PolarHBondContact OE2-NZ 3.4Å; I837-K839 VanDerWaalsContact C-N 3.29Å; I837-K839 PolarHBondContact O-N 3.41Å; K839-Y841 VanDerWaalsContact C-N 3.29Å; K839-T842 PolarHBondContact O-OG1 3.28Å; K839-T842 VanDerWaalsContact O-OG1 3.13Å; K839-I1044 HydrophobicContact CB-CD1 4.37Å
840	G	94.9	Very high	90.5	Very high	66 Å²	66	64.4 Å²	64.4	68%	0.68	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	0.3	168	0	0	0	0	0	115.1	I837 L838	I837-G840 PolarHBondContact O-N 3.03Å; L838-G840 PolarHBondContact O-N 3.42Å; L838-G840 VanDerWaalsContact O-N 3.15Å
841	Y	96.5	Very high	92.2	Very high	42 Å²	42	63 Å²	63	17%	0.165	34%	0.335	C	S	.	.	S	Bend	trans	-127.9	5.6	179.9	-54.4	-103.5	0	0	0	112.6	I837 L838 K839 V1070 M1115 K1118 M1119 D1122	I837-Y841 HydrophobicContact CG2-CE2 4.06Å; I837-Y841 VanDerWaalsContact O-CD2 3.26Å; I837-Y841 WeakPolarHBondContact O-CD2 3.31Å; I837-Y841 WeakPolarHBondContact O-CE2 3.23Å; L838-Y841 HydrophobicContact CD2-CD2 4.49Å; L838-Y841 WeakPolarHBondContact O-CA 3.38Å; L838-Y841 PolarHBondContact O-N 3.11Å; K839-Y841 VanDerWaalsContact C-N 3.29Å; Y841-V1070 HydrophobicContact CD1-CG1 4.02Å; Y841-V1070 HydrophobicContact CD1-CG2 4.4Å; Y841-M1115 HydrophobicContact CD1-CE 3.91Å; Y841-M1115 HydrophobicContact CD2-CE 4.31Å; Y841-M1115 HydrophobicContact CE1-CE 4.4Å; Y841-M1115 HydrophobicContact CG-CE 3.85Å; Y841-K1118 HydrophobicContact CE1-CG 4.04Å; Y841-M1119 HydrophobicContact CE2-CG 4.34Å; Y841-D1122 PolarHBondContact OH-OD2 3.12Å
842	T	97.4	Very high	93.1	Very high	36 Å²	36	63.4 Å²	63.4	22%	0.221	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-68.9	140.2	173.7	47.8	0	0	0	0	109.9	L838 K839 I1044 T1063 V1064 V1065	L838-T842 PolarHBondContact O-N 3.33Å; K839-T842 PolarHBondContact O-OG1 3.28Å; K839-T842 VanDerWaalsContact O-OG1 3.13Å; T842-I1044 HydrophobicContact CG2-CG1 4.33Å; T842-T1063 HydrophobicContact CG2-CG2 3.77Å; T842-V1064 CarbonylContact C-O 3.52Å; T842-V1064 VanDerWaalsContact CA-O 3.26Å; T842-V1064 WeakPolarHBondContact CA-O 3.24Å; T842-V1065 HydrophobicContact CG2-CG2 3.71Å
843	L	96.1	Very high	93.5	Very high	13 Å²	13	59.1 Å²	59.1	7%	0.068	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-60.5	143.2	175.7	-58.3	179.5	0	0	0	110.5	Q847 M848 Y853 V1064 D1066 V1069	L843-Q847 HydrophobicContact CB-CB 4.18Å; L843-Q847 HydrophobicContact CD2-CB 4.3Å; L843-M848 HydrophobicContact CB-CG 3.85Å; L843-M848 HydrophobicContact CD1-CG 4.24Å; L843-Y853 HydrophobicContact CD1-CD2 4.11Å; L843-Y853 HydrophobicContact CD1-CE2 3.61Å; L843-V1064 HydrophobicContact CD1-CB 4.45Å; L843-V1064 HydrophobicContact CD1-CG1 4.31Å; L843-V1064 PolarHBondContact N-O 2.96Å; L843-D1066 HydrophobicContact CD1-CB 4.33Å; L843-V1069 HydrophobicContact CD2-CB 4.02Å; L843-V1069 HydrophobicContact CD2-CG1 3.83Å; L843-V1069 HydrophobicContact CD2-CG2 4.14Å
844	T	95.8	Very high	93.7	Very high	64 Å²	64	54.5 Å²	54.5	39%	0.393	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-79.8	164.6	166.1	76	0	0	0	0	110.7	E846 Q847 M848	T844-E846 WeakPolarHBondContact CB-OE2 3.35Å; T844-E846 PolarHBondContact O-N 3.39Å; T844-E846 PolarHBondContact OG1-OE2 2.94Å; T844-Q847 VanDerWaalsContact N-OE1 3.15Å; T844-Q847 WeakPolarHBondContact O-CB 3.3Å; T844-Q847 PolarHBondContact O-N 3.02Å; T844-Q847 PolarHBondContact OG1-N 3.21Å; T844-M848 WeakPolarHBondContact O-CG 3.18Å; T844-M848 PolarHBondContact O-N 3.33Å
845	D	92.4	Very high	93.8	Very high	122 Å²	122	55.9 Å²	55.9	65%	0.652	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-37	178.2	-66.4	-33.9	0	0	0	111.7	M848 I849	D845-M848 PolarHBondContact O-N 3.07Å; D845-I849 VanDerWaalsContact O-CG1 3.29Å; D845-I849 WeakPolarHBondContact O-CG1 3.39Å; D845-I849 PolarHBondContact O-N 3.33Å
846	E	92.9	Very high	93.7	Very high	133 Å²	133	59.9 Å²	59.9	62%	0.621	32%	0.315	S	S	*	.	H	α-helix	trans	-66.5	-40.4	175	-50.9	81.8	-179.8	0	0	111.9	T844 I849 E850	T844-E846 WeakPolarHBondContact CB-OE2 3.35Å; T844-E846 PolarHBondContact O-N 3.39Å; T844-E846 PolarHBondContact OG1-OE2 2.94Å; E846-I849 PolarHBondContact O-N 2.96Å; E846-E850 WeakPolarHBondContact O-CB 3.47Å; E846-E850 PolarHBondContact O-N 3.34Å
847	Q	92.9	Very high	93.7	Very high	70 Å²	70	56.5 Å²	56.5	33%	0.327	30%	0.299	S	S	.	.	H	α-helix	trans	-69.2	-34	176.3	-69.3	-178.7	-36	0	0	112.2	L843 T844 N851	L843-Q847 HydrophobicContact CB-CB 4.18Å; L843-Q847 HydrophobicContact CD2-CB 4.3Å; T844-Q847 VanDerWaalsContact N-OE1 3.15Å; T844-Q847 WeakPolarHBondContact O-CB 3.3Å; T844-Q847 PolarHBondContact O-N 3.02Å; T844-Q847 PolarHBondContact OG1-N 3.21Å; Q847-N851 VanDerWaalsContact O-CB 3.32Å; Q847-N851 WeakPolarHBondContact O-CB 3.25Å; Q847-N851 PolarHBondContact O-N 3Å; Q847-N851 PolarHBondContact O-ND2 2.64Å
848	M	93.4	Very high	93.4	Very high	11 Å²	11	58.7 Å²	58.7	5%	0.054	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-43.1	171.9	-75.1	-170.5	70.6	0	0	111.1	L843 T844 D845 N851 N852 Y853 H1061	L843-M848 HydrophobicContact CB-CG 3.85Å; L843-M848 HydrophobicContact CD1-CG 4.24Å; T844-M848 WeakPolarHBondContact O-CG 3.18Å; T844-M848 PolarHBondContact O-N 3.33Å; D845-M848 PolarHBondContact O-N 3.07Å; M848-N851 PolarHBondContact O-N 3.39Å; M848-N852 PolarHBondContact O-N 2.91Å; M848-Y853 HydrophobicContact CB-CG 4.43Å; M848-Y853 HydrophobicContact CE-CD1 4.12Å; M848-Y853 HydrophobicContact CE-CG 4.03Å; M848-Y853 HydrophobicContact CG-CG 4.39Å; M848-Y853 PolarHBondContact O-N 2.89Å; M848-H1061 WeakPolarHBondContact CE-O 3.35Å
849	I	91.9	Very high	93.2	Very high	68 Å²	68	66.3 Å²	66.3	35%	0.349	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-50.2	174.2	-70.1	165.7	0	0	0	110.8	D845 E846 N851 N852 V855 F867	D845-I849 VanDerWaalsContact O-CG1 3.29Å; D845-I849 WeakPolarHBondContact O-CG1 3.39Å; D845-I849 PolarHBondContact O-N 3.33Å; E846-I849 PolarHBondContact O-N 2.96Å; I849-N851 VanDerWaalsContact C-N 3.31Å; I849-N851 PolarHBondContact O-N 3.12Å; I849-N852 PolarHBondContact O-N 2.66Å; I849-N852 VanDerWaalsContact O-N 3.09Å; I849-V855 HydrophobicContact CG1-CG2 4.45Å; I849-F867 HydrophobicContact CB-CD2 4.3Å; I849-F867 HydrophobicContact CD1-CE2 4.49Å; I849-F867 HydrophobicContact CG1-CD2 4.03Å; I849-F867 HydrophobicContact CG1-CE2 3.82Å; I849-F867 HydrophobicContact CG1-CZ 4.32Å; I849-F867 HydrophobicContact CG2-CB 4.1Å; I849-F867 HydrophobicContact CG2-CD1 4.27Å; I849-F867 HydrophobicContact CG2-CD2 3.89Å; I849-F867 HydrophobicContact CG2-CE2 4.4Å; I849-F867 HydrophobicContact CG2-CG 3.82Å
850	E	91.1	Very high	92.9	Very high	126 Å²	126	66.8 Å²	66.8	59%	0.589	36%	0.356	S	S	*	.	H	α-helix	trans	-58.8	-40.8	178.6	-173.2	-175.5	-165.3	0	0	112.2	E846 N852	E846-E850 WeakPolarHBondContact O-CB 3.47Å; E846-E850 PolarHBondContact O-N 3.34Å; E850-N852 VanDerWaalsContact C-N 3.3Å; E850-N852 PolarHBondContact O-N 3.03Å; E850-N852 PolarHBondContact O-ND2 3.39Å; E850-N852 VanDerWaalsContact O-ND2 3.11Å
851	N	90.9	Very high	92.5	Very high	28 Å²	28	69.2 Å²	69.2	15%	0.15	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.9	179.3	-71.5	-90.4	0	0	0	113.9	Q847 M848 I849 Y853 V1069	Q847-N851 VanDerWaalsContact O-CB 3.32Å; Q847-N851 WeakPolarHBondContact O-CB 3.25Å; Q847-N851 PolarHBondContact O-N 3Å; Q847-N851 PolarHBondContact O-ND2 2.64Å; M848-N851 PolarHBondContact O-N 3.39Å; I849-N851 VanDerWaalsContact C-N 3.31Å; I849-N851 PolarHBondContact O-N 3.12Å; N851-Y853 HydrophobicContact CB-CD2 3.84Å; N851-Y853 HydrophobicContact CB-CE2 3.74Å; N851-V1069 WeakPolarHBondContact OD1-CG2 3.33Å
852	N	92.1	Very high	92.1	Very high	42 Å²	42	68.5 Å²	68.5	23%	0.225	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	39.4	175.3	-58.6	-88.3	0	0	0	114.8	M848 I849 E850 L866 S868	M848-N852 PolarHBondContact O-N 2.91Å; I849-N852 PolarHBondContact O-N 2.66Å; I849-N852 VanDerWaalsContact O-N 3.09Å; E850-N852 VanDerWaalsContact C-N 3.3Å; E850-N852 PolarHBondContact O-N 3.03Å; E850-N852 PolarHBondContact O-ND2 3.39Å; E850-N852 VanDerWaalsContact O-ND2 3.11Å; N852-L866 WeakPolarHBondContact O-CD2 3.33Å; N852-S868 PolarHBondContact ND2-OG 2.99Å; N852-S868 VanDerWaalsContact ND2-OG 3.16Å; N852-S868 WeakPolarHBondContact OD1-CB 3.43Å; N852-S868 PolarHBondContact OD1-N 3.49Å; N852-S868 PolarHBondContact OD1-OG 2.9Å
853	Y	95	Very high	91.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.36	C	S	.	.			trans	-67.4	149.2	167.2	-79	-99.6	0	0	0	110.9	L843 M848 N851 V855 L1050 E1051 L1054 V1064 D1066	L843-Y853 HydrophobicContact CD1-CD2 4.11Å; L843-Y853 HydrophobicContact CD1-CE2 3.61Å; M848-Y853 HydrophobicContact CB-CG 4.43Å; M848-Y853 HydrophobicContact CE-CD1 4.12Å; M848-Y853 HydrophobicContact CE-CG 4.03Å; M848-Y853 HydrophobicContact CG-CG 4.39Å; M848-Y853 PolarHBondContact O-N 2.89Å; N851-Y853 HydrophobicContact CB-CD2 3.84Å; N851-Y853 HydrophobicContact CB-CE2 3.74Å; Y853-V855 PolarHBondContact O-N 3.47Å; Y853-L1050 HydrophobicContact CE1-CB 3.88Å; Y853-L1050 PolarHBondContact OH-N 3.47Å; Y853-E1051 HydrophobicContact CD1-CB 4.4Å; Y853-E1051 HydrophobicContact CD2-CB 4.04Å; Y853-E1051 HydrophobicContact CE1-CB 4.32Å; Y853-E1051 VanDerWaalsContact CE1-N 3.33Å; Y853-E1051 HydrophobicContact CE2-CB 3.96Å; Y853-E1051 HydrophobicContact CG-CB 4.24Å; Y853-E1051 PolarHBondContact OH-N 3.31Å; Y853-E1051 PolarHBondContact OH-OE2 2.9Å; Y853-L1054 HydrophobicContact CD1-CD1 3.88Å; Y853-L1054 HydrophobicContact CE1-CD1 3.95Å; Y853-V1064 HydrophobicContact CD1-CG2 4.46Å; Y853-V1064 HydrophobicContact CE1-CB 4.39Å; Y853-V1064 HydrophobicContact CE1-CG1 3.78Å; Y853-V1064 HydrophobicContact CE1-CG2 4.25Å; Y853-D1066 WeakPolarHBondContact OH-CB 3.49Å; Y853-D1066 PolarHBondContact OH-OD2 3.04Å
854	P	94.4	Very high	91.7	Very high	6 Å²	6	67 Å²	67	4%	0.039	36%	0.358	C	S	.	.			trans	-69	118.2	177.8	27.9	-33.5	0	0	0	110.9	A864 L866 F950 L1054 L1060	P854-A864 HydrophobicContact CB-CB 4.03Å; P854-L866 HydrophobicContact CB-CD2 4.23Å; P854-F950 HydrophobicContact CB-CD1 4.32Å; P854-F950 HydrophobicContact CB-CE1 3.59Å; P854-F950 HydrophobicContact CB-CZ 4.29Å; P854-F950 HydrophobicContact CG-CE1 4.03Å; P854-L1054 HydrophobicContact CG-CB 3.98Å; P854-L1060 HydrophobicContact CB-CD2 3.98Å; P854-L1060 WeakPolarHBondContact O-CD2 3.31Å
855	V	92.6	Very high	91.5	Very high	50 Å²	50	66 Å²	66	30%	0.303	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.5	174.6	179.7	0	0	0	0	109.4	I849 Y853 H857 A864 V865 F867	I849-V855 HydrophobicContact CG1-CG2 4.45Å; Y853-V855 PolarHBondContact O-N 3.47Å; V855-H857 PolarHBondContact O-N 3.41Å; V855-A864 CarbonylContact O-C 3.56Å; V855-A864 VanDerWaalsContact O-CA 3.26Å; V855-A864 WeakPolarHBondContact O-CA 3.39Å; V855-V865 PolarHBondContact N-O 3.1Å; V855-V865 VanDerWaalsContact N-O 3.16Å; V855-V865 PolarHBondContact O-N 3.1Å; V855-F867 HydrophobicContact CB-CE2 3.95Å; V855-F867 HydrophobicContact CG2-CE2 3.87Å
856	Q	92.1	Very high	91.3	Very high	102 Å²	102	62.5 Å²	62.5	48%	0.477	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.4	-179.4	-169.6	170.8	-21.6	0	0	111.9	L1060	Q856-L1060 HydrophobicContact CB-CD1 3.87Å; Q856-L1060 HydrophobicContact CG-CD1 4.05Å
857	H	91.6	Very high	90.8	Very high	34 Å²	34	61.4 Å²	61.4	16%	0.157	33%	0.326	C	S	.	.			trans	-68.8	124.9	174.3	-170.8	-59.2	0	0	0	110.2	V855 E859 K860 S863 V865	V855-H857 PolarHBondContact O-N 3.41Å; H857-E859 VanDerWaalsContact C-N 3.35Å; H857-E859 IonicContact CE1-OE2 3.44Å; H857-E859 PolarHBondContact ND1-N 3.05Å; H857-E859 PolarHBondContact O-N 2.96Å; H857-K860 HydrophobicContact CB-CB 4.04Å; H857-K860 PolarHBondContact ND1-N 3.32Å; H857-K860 PolarHBondContact O-N 2.96Å; H857-S863 WeakPolarHBondContact CB-O 3.44Å; H857-S863 PolarHBondContact N-O 3.43Å; H857-V865 HydrophobicContact CB-CG2 3.82Å
858	P	88.6	Confident	89.9	Confident	121 Å²	121	61.2 Å²	61.2	79%	0.786	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-41.4	-171.2	21.1	-32.6	0	0	0	113
859	E	89.5	Confident	88.1	Confident	161 Å²	161	68.6 Å²	68.6	75%	0.752	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8	-178.8	-51	176.9	150	0	0	114.9	H857	H857-E859 VanDerWaalsContact C-N 3.35Å; H857-E859 IonicContact CE1-OE2 3.44Å; H857-E859 PolarHBondContact ND1-N 3.05Å; H857-E859 PolarHBondContact O-N 2.96Å
860	K	88	Confident	86.5	Confident	108 Å²	108	71.2 Å²	71.2	47%	0.47	38%	0.381	S	S	.	.			trans	-134.9	89.2	-167.5	-66.2	178.6	-172	157.7	0	111.7	H857 G862 S863	H857-K860 HydrophobicContact CB-CB 4.04Å; H857-K860 PolarHBondContact ND1-N 3.32Å; H857-K860 PolarHBondContact O-N 2.96Å; K860-G862 PolarHBondContact O-N 2.64Å; K860-S863 PolarHBondContact O-N 3.03Å
861	P	86.8	Confident	84.7	Confident	116 Å²	116	74.8 Å²	74.8	75%	0.753	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	128.9	171.7	-23.3	34.2	0	0	0	110.9
862	G	88.8	Confident	83.1	Confident	28 Å²	28	79.5 Å²	79.5	29%	0.289	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	3.4	-176.4	0	0	0	0	0	115.4	K860 G949 F950	K860-G862 PolarHBondContact O-N 2.64Å; G862-G949 PolarHBondContact O-N 2.65Å; G862-F950 WeakPolarHBondContact CA-O 3.37Å; G862-F950 PolarHBondContact O-N 2.83Å
863	S	92.6	Very high	81.6	Confident	14 Å²	14	79.7 Å²	79.7	10%	0.098	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-114.4	152.5	167.6	-54.9	0	0	0	0	111.2	H857 K860 L947 D948	H857-S863 WeakPolarHBondContact CB-O 3.44Å; H857-S863 PolarHBondContact N-O 3.43Å; K860-S863 PolarHBondContact O-N 3.03Å; S863-L947 CarbonylContact C-O 3.57Å; S863-L947 WeakPolarHBondContact CA-O 3.41Å; S863-D948 WeakPolarHBondContact CB-OD1 3.48Å; S863-D948 PolarHBondContact OG-OD1 3Å
864	A	92.7	Very high	80.1	Confident	4 Å²	4	87 Å²	87	3%	0.033	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	163	175.8	0	0	0	0	0	112.4	P854 V855 L947 F950 L1060	P854-A864 HydrophobicContact CB-CB 4.03Å; V855-A864 CarbonylContact O-C 3.56Å; V855-A864 VanDerWaalsContact O-CA 3.26Å; V855-A864 WeakPolarHBondContact O-CA 3.39Å; A864-L947 PolarHBondContact N-O 2.91Å; A864-F950 HydrophobicContact CB-CD1 3.8Å; A864-F950 HydrophobicContact CB-CD2 3.84Å; A864-F950 HydrophobicContact CB-CE1 3.77Å; A864-F950 HydrophobicContact CB-CE2 3.85Å; A864-F950 HydrophobicContact CB-CG 3.83Å; A864-F950 HydrophobicContact CB-CZ 3.8Å; A864-L1060 HydrophobicContact CB-CD2 4.21Å
865	V	91.3	Very high	79.4	Confident	41 Å²	41	89.2 Å²	89.2	25%	0.248	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142	169.6	175.9	0	0	0	0	108.6	V855 H857 F867	V855-V865 PolarHBondContact N-O 3.1Å; V855-V865 VanDerWaalsContact N-O 3.16Å; V855-V865 PolarHBondContact O-N 3.1Å; H857-V865 HydrophobicContact CB-CG2 3.82Å; V865-F867 HydrophobicContact CG1-CE2 4.45Å; V865-F867 HydrophobicContact CG1-CZ 4.35Å
866	L	88.3	Confident	78.9	Confident	50 Å²	50	91 Å²	91	26%	0.262	50%	0.5	S	S	.	.			trans	-119.7	139.2	169.3	-57.9	178.3	0	0	0	107.9	N852 P854 L947	N852-L866 WeakPolarHBondContact O-CD2 3.33Å; P854-L866 HydrophobicContact CB-CD2 4.23Å; L866-L947 HydrophobicContact CD1-CD2 3.8Å; L866-L947 HydrophobicContact CG-CD1 4.48Å; L866-L947 HydrophobicContact CG-CD2 3.95Å
867	F	82.3	Confident	78.8	Confident	109 Å²	109	89.4 Å²	89.4	48%	0.478	49%	0.494	S	S	.	.			trans	-92.4	-5.7	-168.9	-68.6	-89.8	0	0	0	115	I849 V855 V865	I849-F867 HydrophobicContact CB-CD2 4.3Å; I849-F867 HydrophobicContact CD1-CE2 4.49Å; I849-F867 HydrophobicContact CG1-CD2 4.03Å; I849-F867 HydrophobicContact CG1-CE2 3.82Å; I849-F867 HydrophobicContact CG1-CZ 4.32Å; I849-F867 HydrophobicContact CG2-CB 4.1Å; I849-F867 HydrophobicContact CG2-CD1 4.27Å; I849-F867 HydrophobicContact CG2-CD2 3.89Å; I849-F867 HydrophobicContact CG2-CE2 4.4Å; I849-F867 HydrophobicContact CG2-CG 3.82Å; V855-F867 HydrophobicContact CB-CE2 3.95Å; V855-F867 HydrophobicContact CG2-CE2 3.87Å; V865-F867 HydrophobicContact CG1-CE2 4.45Å; V865-F867 HydrophobicContact CG1-CZ 4.35Å
868	S	74.3	Confident	78.8	Confident	67 Å²	67	91.9 Å²	91.9	47%	0.469	50%	0.504	S	S	.	.	S	Bend	trans	-85.7	137.3	173.9	-79.5	0	0	0	0	113.8	N852 K870	N852-S868 PolarHBondContact ND2-OG 2.99Å; N852-S868 VanDerWaalsContact ND2-OG 3.16Å; N852-S868 WeakPolarHBondContact OD1-CB 3.43Å; N852-S868 PolarHBondContact OD1-N 3.49Å; N852-S868 PolarHBondContact OD1-OG 2.9Å; S868-K870 PolarHBondContact O-N 2.98Å
869	D	54.3	Low	79	Confident	166 Å²	166	89 Å²	89	89%	0.888	48%	0.478	S	S	*	.			trans	-66.8	66.3	167.8	-72.5	-47.8	0	0	0	113.3	K871	D869-K871 PolarHBondContact O-N 2.77Å; D869-K871 VanDerWaalsContact O-N 3.12Å
870	K	59.9	Low	79.2	Confident	123 Å²	123	85.6 Å²	85.6	54%	0.535	46%	0.464	S	S	.	.			trans	-61.6	114.5	157	-78.3	-158	-178.6	-166.2	0	107.2	S868 V872 D943	S868-K870 PolarHBondContact O-N 2.98Å; K870-V872 VanDerWaalsContact C-N 3.34Å; K870-V872 PolarHBondContact O-N 2.94Å; K870-D943 PolarHBondContact NZ-O 3.42Å; K870-D943 IonicContact NZ-OD2 3.91Å; K870-D943 PolarHBondContact NZ-OD2 3.49Å
871	K	53.5	Low	79.5	Confident	201 Å²	201	80.5 Å²	80.5	87%	0.874	44%	0.442	S	S	*	.			trans	-60.1	89.6	179.4	-71.6	-174.2	176.8	-178.4	0	111.8	D869 S873	D869-K871 PolarHBondContact O-N 2.77Å; D869-K871 VanDerWaalsContact O-N 3.12Å; K871-S873 PolarHBondContact O-N 2.77Å
872	V	55.7	Low	79.8	Confident	127 Å²	127	77.5 Å²	77.5	77%	0.77	42%	0.423	S	S	*	.			trans	-61	130.2	171.5	-176.9	0	0	0	0	108.3	K870 T874	K870-V872 VanDerWaalsContact C-N 3.34Å; K870-V872 PolarHBondContact O-N 2.94Å; V872-T874 PolarHBondContact O-N 2.88Å
873	S	61.5	Low	80	Confident	46 Å²	46	77.9 Å²	77.9	32%	0.322	42%	0.416	S	S	.	.			trans	-67.2	127.9	174.2	-163	0	0	0	0	109.2	K871 D875	K871-S873 PolarHBondContact O-N 2.77Å; S873-D875 PolarHBondContact O-N 3.09Å; S873-D875 VanDerWaalsContact O-N 3.17Å
874	T	64.3	Low	80.1	Confident	154 Å²	154	79.5 Å²	79.5	95%	0.945	43%	0.426	S	S	*	.	S	Bend	trans	-64.2	-15.4	175.2	48.7	0	0	0	0	113	V872	V872-T874 PolarHBondContact O-N 2.88Å
875	D	79.3	Confident	80.1	Confident	51 Å²	51	81.7 Å²	81.7	27%	0.273	45%	0.449	S	S	.	.	S	Bend	trans	-99	109.5	169.4	-174.2	-21.1	0	0	0	110.1	S873 L877 K878	S873-D875 PolarHBondContact O-N 3.09Å; S873-D875 VanDerWaalsContact O-N 3.17Å; D875-L877 PolarHBondContact O-N 3.48Å; D875-L877 VanDerWaalsContact O-N 3.07Å; D875-L877 WeakPolarHBondContact OD1-CA 3.46Å; D875-L877 WeakPolarHBondContact OD1-CB 3.34Å; D875-L877 PolarHBondContact OD1-N 2.73Å; D875-K878 HydrophobicContact CB-CB 4.17Å; D875-K878 HydrophobicContact CB-CD 4.26Å; D875-K878 HydrophobicContact CB-CG 4.12Å; D875-K878 PolarHBondContact O-N 3.1Å; D875-K878 IonicContact OD2-NZ 3.72Å; D875-K878 PolarHBondContact OD2-NZ 3.36Å
876	S	81.7	Confident	80.2	Confident	89 Å²	89	81.6 Å²	81.6	62%	0.622	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11	179.8	61.7	0	0	0	0	114.3	R879	S876-R879 PolarHBondContact O-NH1 3.05Å; S876-R879 PolarHBondContact O-NH2 3.27Å; S876-R879 VanDerWaalsContact O-NH2 3.13Å
877	L	89.4	Confident	80.5	Confident	67 Å²	67	83.2 Å²	83.2	35%	0.351	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	2.7	175.2	-56.2	178.7	0	0	0	113.4	D875 S889 V890 K892	D875-L877 PolarHBondContact O-N 3.48Å; D875-L877 VanDerWaalsContact O-N 3.07Å; D875-L877 WeakPolarHBondContact OD1-CA 3.46Å; D875-L877 WeakPolarHBondContact OD1-CB 3.34Å; D875-L877 PolarHBondContact OD1-N 2.73Å; L877-S889 CarbonylContact O-C 3.59Å; L877-S889 WeakPolarHBondContact O-CA 3.49Å; L877-V890 WeakPolarHBondContact CB-O 3.42Å; L877-V890 PolarHBondContact O-N 3.48Å; L877-K892 HydrophobicContact CD2-CG 4.28Å
878	K	91.7	Very high	81	Confident	87 Å²	87	78.2 Å²	78.2	38%	0.378	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.8	172	-68.3	-172.5	-179.6	83	0	112.1	D875 T887 Y888	D875-K878 HydrophobicContact CB-CB 4.17Å; D875-K878 HydrophobicContact CB-CD 4.26Å; D875-K878 HydrophobicContact CB-CG 4.12Å; D875-K878 PolarHBondContact O-N 3.1Å; D875-K878 IonicContact OD2-NZ 3.72Å; D875-K878 PolarHBondContact OD2-NZ 3.36Å; K878-T887 HydrophobicContact CB-CG2 4.09Å; K878-T887 HydrophobicContact CD-CG2 4.07Å; K878-T887 HydrophobicContact CG-CG2 4.41Å; K878-Y888 WeakPolarHBondContact CA-O 3.38Å
879	R	92.3	Very high	82	Confident	60 Å²	60	77.7 Å²	77.7	23%	0.226	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.3	174.3	-63.6	-65.4	177.6	-82.2	-6.6	109.6	S876 T887 Y888 V890	S876-R879 PolarHBondContact O-NH1 3.05Å; S876-R879 PolarHBondContact O-NH2 3.27Å; S876-R879 VanDerWaalsContact O-NH2 3.13Å; R879-T887 CarbonylContact O-C 3.45Å; R879-T887 WeakPolarHBondContact O-CA 3.47Å; R879-Y888 HydrophobicContact CB-CD1 4.25Å; R879-Y888 HydrophobicContact CB-CD2 4.48Å; R879-Y888 HydrophobicContact CB-CE1 3.65Å; R879-Y888 HydrophobicContact CB-CE2 3.93Å; R879-Y888 VanDerWaalsContact CB-CZ 3.49Å; R879-Y888 PolarHBondContact N-O 2.91Å; R879-Y888 VanDerWaalsContact O-CD1 3.24Å; R879-Y888 WeakPolarHBondContact O-CD1 3.29Å; R879-Y888 PolarHBondContact O-N 3.27Å; R879-V890 HydrophobicContact CG-CG1 4.03Å; R879-V890 HydrophobicContact CG-CG2 3.89Å
880	I	93.9	Very high	83.8	Confident	89 Å²	89	69.9 Å²	69.9	46%	0.456	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.7	173.1	-60.8	176.2	0	0	0	107.8	C882 H942	I880-C882 PolarHBondContact O-N 3.49Å; I880-H942 WeakPolarHBondContact O-CB 3.31Å
881	C	94.9	Very high	85.3	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.007	38%	0.38	C	S	.	.			trans	-77.8	115.5	179	-173.7	0	0	0	0	110.8	R883 C884 G885 A886 Y888 H940 V941	C881-R883 PolarHBondContact O-N 2.78Å; C881-R883 VanDerWaalsContact O-N 3.09Å; C881-C884 VanDerWaalsContact CB-SG 3.53Å; C881-C884 PolarHBondContact O-N 2.79Å; C881-C884 PolarHBondContact SG-SG 3.5Å; C881-G885 WeakPolarHBondContact O-CA 3.3Å; C881-G885 PolarHBondContact O-N 2.96Å; C881-A886 WeakPolarHBondContact CB-O 3.46Å; C881-A886 PolarHBondContact N-O 3.15Å; C881-Y888 HydrophobicContact CB-CD1 4.24Å; C881-Y888 HydrophobicContact CB-CE1 4.06Å; C881-H940 HydrophobicContact CB-CB 3.85Å; C881-V941 CarbonylContact C-O 3.59Å; C881-V941 VanDerWaalsContact CA-O 3.23Å; C881-V941 WeakPolarHBondContact CA-O 3.38Å; C881-V941 PolarHBondContact SG-O 3.43Å
882	C	93.6	Very high	87	Confident	54 Å²	54	65 Å²	65	37%	0.365	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.1	179.8	63.7	0	0	0	0	113.3	I880 V941 D943	I880-C882 PolarHBondContact O-N 3.49Å; C882-V941 PolarHBondContact N-O 2.9Å; C882-V941 PolarHBondContact SG-O 3.24Å; C882-D943 HydrophobicContact CB-CB 4.13Å; C882-D943 WeakPolarHBondContact CB-OD1 3.4Å
883	R	93.4	Very high	88.6	Confident	36 Å²	36	63.2 Å²	63.2	14%	0.136	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-32.3	178.6	-66.1	-178.4	175.3	179.2	-4.8	114.8	C881 Y904 V941 D1008 N1010	C881-R883 PolarHBondContact O-N 2.78Å; C881-R883 VanDerWaalsContact O-N 3.09Å; R883-Y904 HydrophobicContact CB-CD2 3.78Å; R883-Y904 HydrophobicContact CB-CE2 4.42Å; R883-Y904 HydrophobicContact CB-CG 3.88Å; R883-Y904 HydrophobicContact CG-CD2 4.08Å; R883-Y904 HydrophobicContact CG-CE2 4.24Å; R883-Y904 PolarHBondContact NH1-OH 3.47Å; R883-Y904 VanDerWaalsContact O-CB 3.3Å; R883-Y904 WeakPolarHBondContact O-CB 3.02Å; R883-V941 HydrophobicContact CG-CG2 3.87Å; R883-D1008 IonicContact CZ-OD2 3.38Å; R883-D1008 IonicContact NH1-OD2 2.71Å; R883-D1008 PolarHBondContact NH1-OD2 3.25Å; R883-D1008 IonicContact NH2-OD2 2.96Å; R883-D1008 PolarHBondContact NH2-OD2 2.94Å; R883-N1010 PolarHBondContact NH2-OD1 2.99Å
884	C	93.1	Very high	89.9	Confident	47 Å²	47	61.2 Å²	61.2	32%	0.318	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-0.1	-172	63.6	0	0	0	0	115.4	C881 A886 N903 H940	C881-C884 VanDerWaalsContact CB-SG 3.53Å; C881-C884 PolarHBondContact O-N 2.79Å; C881-C884 PolarHBondContact SG-SG 3.5Å; C884-A886 PolarHBondContact O-N 3.38Å; C884-A886 VanDerWaalsContact O-N 3.1Å; C884-N903 VanDerWaalsContact CB-O 3.3Å; C884-N903 WeakPolarHBondContact CB-O 3.37Å; C884-H940 PolarHBondContact SG-ND1 3.33Å; C884-H940 VanDerWaalsContact SG-ND1 3.42Å
885	G	92.7	Very high	91.2	Very high	50 Å²	50	58.6 Å²	58.6	52%	0.515	33%	0.332	S	S	.	.			trans	72.3	-8.8	-178.6	0	0	0	0	0	115.6	C881 T887	C881-G885 WeakPolarHBondContact O-CA 3.3Å; C881-G885 PolarHBondContact O-N 2.96Å; G885-T887 PolarHBondContact O-N 2.77Å
886	A	93.4	Very high	91.9	Very high	39 Å²	39	57.8 Å²	57.8	32%	0.322	33%	0.327	S	S	.	.			trans	-61.7	135.3	178.3	0	0	0	0	0	111.6	C881 C884	C881-A886 WeakPolarHBondContact CB-O 3.46Å; C881-A886 PolarHBondContact N-O 3.15Å; C884-A886 PolarHBondContact O-N 3.38Å; C884-A886 VanDerWaalsContact O-N 3.1Å
887	T	94.6	Very high	92.4	Very high	84 Å²	84	58.9 Å²	58.9	52%	0.515	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126	171.7	-59.1	0	0	0	0	109.5	K878 R879 G885	K878-T887 HydrophobicContact CB-CG2 4.09Å; K878-T887 HydrophobicContact CD-CG2 4.07Å; K878-T887 HydrophobicContact CG-CG2 4.41Å; R879-T887 CarbonylContact O-C 3.45Å; R879-T887 WeakPolarHBondContact O-CA 3.47Å; G885-T887 PolarHBondContact O-N 2.77Å
888	Y	93.9	Very high	92.4	Very high	5 Å²	5	64 Å²	64	2%	0.02	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	163.8	-179.3	64.6	-78.9	0	0	0	110.8	K878 R879 C881 V890 H896 H940 H942	K878-Y888 WeakPolarHBondContact CA-O 3.38Å; R879-Y888 HydrophobicContact CB-CD1 4.25Å; R879-Y888 HydrophobicContact CB-CD2 4.48Å; R879-Y888 HydrophobicContact CB-CE1 3.65Å; R879-Y888 HydrophobicContact CB-CE2 3.93Å; R879-Y888 VanDerWaalsContact CB-CZ 3.49Å; R879-Y888 PolarHBondContact N-O 2.91Å; R879-Y888 VanDerWaalsContact O-CD1 3.24Å; R879-Y888 WeakPolarHBondContact O-CD1 3.29Å; R879-Y888 PolarHBondContact O-N 3.27Å; C881-Y888 HydrophobicContact CB-CD1 4.24Å; C881-Y888 HydrophobicContact CB-CE1 4.06Å; Y888-V890 HydrophobicContact CD2-CG1 3.99Å; Y888-V890 HydrophobicContact CE2-CG1 3.67Å; Y888-H896 AromaticContact CD2-CD2 3.57Å; Y888-H896 AromaticContact CD2-NE2 3.83Å; Y888-H896 AromaticContact CE2-CD2 3.58Å; Y888-H896 AromaticContact CE2-NE2 3.34Å; Y888-H896 VanDerWaalsContact CE2-NE2 3.34Å; Y888-H896 WeakPolarHBondContact CE2-NE2 3.34Å; Y888-H940 HydrophobicContact CD1-CB 3.34Å; Y888-H940 AromaticContact CD1-CG 3.89Å; Y888-H940 HydrophobicContact CD2-CB 4.04Å; Y888-H940 HydrophobicContact CE1-CB 3.42Å; Y888-H940 VanDerWaalsContact CE1-CB 3.42Å; Y888-H940 HydrophobicContact CE2-CB 4.09Å; Y888-H940 HydrophobicContact CG-CB 3.66Å; Y888-H942 PolarHBondContact OH-CD2 3.17Å
889	S	94	Very high	92.1	Very high	55 Å²	55	65.9 Å²	65.9	39%	0.385	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.5	-174.7	-52.9	0	0	0	0	112.3	L877 L897	L877-S889 CarbonylContact O-C 3.59Å; L877-S889 WeakPolarHBondContact O-CA 3.49Å; S889-L897 PolarHBondContact O-N 3.42Å
890	V	93.5	Very high	92	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.012	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-119.6	150.4	179.5	-64	0	0	0	0	110.7	L877 R879 Y888 G894 K895	L877-V890 WeakPolarHBondContact CB-O 3.42Å; L877-V890 PolarHBondContact O-N 3.48Å; R879-V890 HydrophobicContact CG-CG1 4.03Å; R879-V890 HydrophobicContact CG-CG2 3.89Å; Y888-V890 HydrophobicContact CD2-CG1 3.99Å; Y888-V890 HydrophobicContact CE2-CG1 3.67Å; V890-G894 WeakPolarHBondContact CB-O 3.37Å; V890-G894 WeakPolarHBondContact CG1-O 3.26Å; V890-K895 CarbonylContact C-O 3.58Å; V890-K895 WeakPolarHBondContact CA-O 3.34Å
891	G	91.6	Very high	92.1	Very high	16 Å²	16	68 Å²	68	17%	0.165	37%	0.369	C	S	.	.			trans	-76.8	175.8	171	0	0	0	0	0	112	T893 G894 K895	G891-T893 PolarHBondContact O-N 2.82Å; G891-G894 PolarHBondContact O-N 3.29Å; G891-K895 PolarHBondContact N-O 3.09Å
892	K	89.1	Confident	92.1	Very high	205 Å²	205	68 Å²	68	89%	0.891	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.6	176.5	-64.4	-174.3	177.3	-174.3	0	114	L877	L877-K892 HydrophobicContact CD2-CG 4.28Å
893	T	88.4	Confident	92.2	Very high	90 Å²	90	68.9 Å²	68.9	55%	0.552	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	13.3	178.9	54.8	0	0	0	0	113.5	G891 K895 Q978	G891-T893 PolarHBondContact O-N 2.82Å; T893-K895 PolarHBondContact O-N 2.8Å; T893-Q978 PolarHBondContact O-NE2 2.96Å
894	G	88.7	Confident	92.3	Very high	4 Å²	4	67.8 Å²	67.8	4%	0.041	37%	0.366	C	S	.	.	S	Bend	trans	77	-24.2	-178.4	0	0	0	0	0	115.1	V890 G891 H896 V977	V890-G894 WeakPolarHBondContact CB-O 3.37Å; V890-G894 WeakPolarHBondContact CG1-O 3.26Å; G891-G894 PolarHBondContact O-N 3.29Å; G894-H896 PolarHBondContact O-N 2.73Å; G894-V977 CarbonylContact C-O 3.31Å; G894-V977 WeakPolarHBondContact CA-O 3.4Å
895	K	92.2	Very high	92.3	Very high	99 Å²	99	67 Å²	67	43%	0.43	36%	0.358	S	S	.	.			trans	-55.5	135.5	174.4	-68.9	175.3	178.6	-80.8	0	112.2	V890 G891 T893 V977 E1005	V890-K895 CarbonylContact C-O 3.58Å; V890-K895 WeakPolarHBondContact CA-O 3.34Å; G891-K895 PolarHBondContact N-O 3.09Å; T893-K895 PolarHBondContact O-N 2.8Å; K895-V977 HydrophobicContact CG-CG1 4.23Å; K895-E1005 IonicContact NZ-OE1 2.59Å; K895-E1005 IonicContact NZ-OE2 3.58Å; K895-E1005 PolarHBondContact NZ-OE2 2.89Å
896	H	93.6	Very high	92.3	Very high	35 Å²	35	68.3 Å²	68.3	16%	0.162	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-59.4	135.8	178.6	-56.2	58.2	0	0	0	112.1	Y888 G894 R898 L939 H940	Y888-H896 AromaticContact CD2-CD2 3.57Å; Y888-H896 AromaticContact CD2-NE2 3.83Å; Y888-H896 AromaticContact CE2-CD2 3.58Å; Y888-H896 AromaticContact CE2-NE2 3.34Å; Y888-H896 VanDerWaalsContact CE2-NE2 3.34Å; Y888-H896 WeakPolarHBondContact CE2-NE2 3.34Å; G894-H896 PolarHBondContact O-N 2.73Å; H896-R898 VanDerWaalsContact C-N 3.27Å; H896-R898 WeakPolarHBondContact CB-O 3.22Å; H896-L939 HydrophobicContact CB-CD2 4.28Å; H896-H940 PolarHBondContact NE2-O 3.39Å
897	L	92.3	Very high	92.1	Very high	111 Å²	111	66.8 Å²	66.8	58%	0.581	34%	0.336	S	S	*	.	S	Bend	trans	-76.9	-16.9	173.4	-62.3	-178.3	0	0	0	112.7	S889	S889-L897 PolarHBondContact O-N 3.42Å
898	R	88.7	Confident	91.8	Very high	176 Å²	176	71.4 Å²	71.4	66%	0.664	35%	0.349	S	S	*	.	S	Bend	trans	-145.7	142.2	178.3	-66.1	178.8	179	166.2	1.3	110.4	H896 E900	H896-R898 VanDerWaalsContact C-N 3.27Å; H896-R898 WeakPolarHBondContact CB-O 3.22Å; R898-E900 HydrophobicContact CB-CG 3.89Å; R898-E900 WeakPolarHBondContact CD-OE1 3.41Å; R898-E900 IonicContact NH1-OE1 3.26Å; R898-E900 PolarHBondContact O-N 2.65Å
899	T	87.3	Confident	91.7	Very high	126 Å²	126	72.9 Å²	72.9	77%	0.773	37%	0.366	S	S	*	.			trans	-81.6	92	169.7	52.5	0	0	0	0	109	L939	T899-L939 HydrophobicContact CG2-CD2 4.28Å
900	E	89.7	Confident	91.5	Very high	69 Å²	69	73.3 Å²	73.3	32%	0.322	37%	0.366	S	S	.	.			trans	-109.7	130	-179.8	-68.8	173.6	179	0	0	109.5	R898 C902	R898-E900 HydrophobicContact CB-CG 3.89Å; R898-E900 WeakPolarHBondContact CD-OE1 3.41Å; R898-E900 IonicContact NH1-OE1 3.26Å; R898-E900 PolarHBondContact O-N 2.65Å; E900-C902 PolarHBondContact O-N 3.36Å
901	E	94.7	Very high	91.4	Very high	124 Å²	124	77.6 Å²	77.6	58%	0.579	39%	0.392	S	S	*	.			trans	-77	118.9	-172.6	-66.2	-171.2	140.7	0	0	112	N903 F937	E901-N903 PolarHBondContact O-N 2.67Å; E901-F937 CarbonylContact C-O 3.56Å; E901-F937 WeakPolarHBondContact CA-O 3.47Å
902	C	95.8	Very high	91.1	Very high	0 Å²	0	80 Å²	80	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	99.8	177.1	178.5	0	0	0	0	110.7	E900 Y904 M936 F937 L939	E900-C902 PolarHBondContact O-N 3.36Å; C902-Y904 WeakPolarHBondContact O-CD1 3.29Å; C902-M936 CarbonylContact O-C 3.56Å; C902-M936 WeakPolarHBondContact O-CA 3.23Å; C902-F937 HydrophobicContact CB-CB 4.47Å; C902-F937 PolarHBondContact N-O 3.09Å; C902-F937 PolarHBondContact O-N 3.42Å; C902-L939 WeakPolarHBondContact CB-O 3.46Å
903	N	95.7	Very high	91.1	Very high	73 Å²	73	81.5 Å²	81.5	39%	0.39	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.6	172.2	-66.2	-55.2	0	0	0	110.3	C884 E901 M936	C884-N903 VanDerWaalsContact CB-O 3.3Å; C884-N903 WeakPolarHBondContact CB-O 3.37Å; E901-N903 PolarHBondContact O-N 2.67Å; N903-M936 WeakPolarHBondContact OD1-CB 3.16Å; N903-M936 WeakPolarHBondContact OD1-CG 3.31Å; N903-M936 PolarHBondContact OD1-SD 2.9Å
904	Y	95.2	Very high	91.2	Very high	14 Å²	14	79.8 Å²	79.8	6%	0.055	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	165.3	-171.4	72.5	-68.6	0	0	0	114.4	R883 C902 G933 C934 Q935 F937	R883-Y904 HydrophobicContact CB-CD2 3.78Å; R883-Y904 HydrophobicContact CB-CE2 4.42Å; R883-Y904 HydrophobicContact CB-CG 3.88Å; R883-Y904 HydrophobicContact CG-CD2 4.08Å; R883-Y904 HydrophobicContact CG-CE2 4.24Å; R883-Y904 PolarHBondContact NH1-OH 3.47Å; R883-Y904 VanDerWaalsContact O-CB 3.3Å; R883-Y904 WeakPolarHBondContact O-CB 3.02Å; C902-Y904 WeakPolarHBondContact O-CD1 3.29Å; Y904-G933 CarbonylContact O-C 3.58Å; Y904-G933 VanDerWaalsContact O-C 3.31Å; Y904-G933 VanDerWaalsContact O-CA 3.25Å; Y904-G933 WeakPolarHBondContact O-CA 3.48Å; Y904-C934 PolarHBondContact O-N 3.13Å; Y904-Q935 HydrophobicContact CD1-CB 4.37Å; Y904-Q935 VanDerWaalsContact CD1-O 3.23Å; Y904-Q935 WeakPolarHBondContact CD1-O 3.36Å; Y904-Q935 HydrophobicContact CE1-CB 4.01Å; Y904-Q935 HydrophobicContact CE1-CG 3.79Å; Y904-Q935 PolarHBondContact N-O 2.91Å; Y904-Q935 PolarHBondContact O-N 3.33Å; Y904-Q935 PolarHBondContact OH-NE2 3.18Å; Y904-F937 HydrophobicContact CE1-CB 4.03Å
905	H	94	Very high	91.1	Very high	30 Å²	30	86.2 Å²	86.2	14%	0.139	43%	0.432	C	S	.	.			trans	-105.4	122.7	165.5	-67.7	-66.4	0	0	0	108.5	G907 Y922 C925 A931 P932 C934	H905-G907 VanDerWaalsContact C-N 3.3Å; H905-Y922 HydrophobicContact CB-CD1 3.8Å; H905-Y922 HydrophobicContact CB-CE1 4.15Å; H905-Y922 HydrophobicContact CB-CG 4.08Å; H905-Y922 AromaticContact CD2-CD1 3.9Å; H905-Y922 AromaticContact CD2-CD2 3.54Å; H905-Y922 AromaticContact CD2-CE1 3.75Å; H905-Y922 AromaticContact CD2-CE2 3.35Å; H905-Y922 WeakPolarHBondContact CD2-CE2 3.38Å; H905-Y922 AromaticContact CD2-CG 3.81Å; H905-Y922 AromaticContact CD2-CZ 3.48Å; H905-Y922 VanDerWaalsContact CD2-CZ 3.48Å; H905-Y922 AromaticContact CE1-CD2 3.83Å; H905-Y922 AromaticContact CG-CD1 3.86Å; H905-Y922 AromaticContact CG-CD2 3.86Å; H905-Y922 AromaticContact CG-CG 3.72Å; H905-Y922 AromaticContact NE2-CD2 3.51Å; H905-Y922 AromaticContact NE2-CE2 3.41Å; H905-Y922 WeakPolarHBondContact NE2-CE2 3.42Å; H905-C925 VanDerWaalsContact CE1-SG 3.6Å; H905-A931 PolarHBondContact NE2-O 3.25Å; H905-P932 PolarHBondContact CE1-O 2.62Å; H905-P932 PolarHBondContact NE2-O 3.46Å; H905-C934 PolarHBondContact CE1-N 3.36Å; H905-C934 VanDerWaalsContact CE1-N 3.25Å; H905-C934 PolarHBondContact ND1-N 2.58Å; H905-C934 VanDerWaalsContact ND1-N 3.2Å; H905-C934 PolarHBondContact ND1-SG 2.86Å
906	Y	91.4	Very high	91	Very high	77 Å²	77	86 Å²	86	30%	0.302	46%	0.457	S	S	.	.			trans	-79.5	-15.1	174.9	72.1	-96.3	0	0	0	112.8	C924 Q935 R1012 F1013	Y906-C924 HydrophobicContact CD1-CB 3.69Å; Y906-C924 HydrophobicContact CD2-CB 3.99Å; Y906-C924 HydrophobicContact CE1-CB 3.29Å; Y906-C924 HydrophobicContact CE2-CB 3.63Å; Y906-C924 HydrophobicContact CG-CB 4.01Å; Y906-Q935 HydrophobicContact CD1-CB 4.5Å; Y906-R1012 VanDerWaalsContact CE1-CZ 3.44Å; Y906-F1013 HydrophobicContact CD2-CZ 4.21Å
907	G	89.6	Confident	90.8	Very high	8 Å²	8	86.2 Å²	86.2	8%	0.082	47%	0.469	C	S	.	.	S	Bend	trans	-97.2	133.6	-179	0	0	0	0	0	111.9	H905 Y922 S923 C924	H905-G907 VanDerWaalsContact C-N 3.3Å; G907-Y922 WeakPolarHBondContact O-CD1 3.1Å; G907-S923 WeakPolarHBondContact CA-OG 3.46Å; G907-C924 PolarHBondContact N-SG 2.82Å; G907-C924 VanDerWaalsContact N-SG 3.42Å
908	K	89.5	Confident	90.8	Very high	181 Å²	181	85.4 Å²	85.4	79%	0.787	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-61.7	154	174.5	-60.6	-175.5	-179.5	-177.1	0	111	V910 S923	K908-V910 PolarHBondContact O-N 2.85Å; K908-S923 PolarHBondContact N-OG 3.28Å; K908-S923 PolarHBondContact O-N 3.45Å; K908-S923 PolarHBondContact O-OG 3.21Å
909	G	91.3	Very high	91	Very high	36 Å²	36	80 Å²	80	37%	0.371	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	122.2	170.3	0	0	0	0	0	110.6
910	V	89.9	Confident	91.3	Very high	64 Å²	64	76.2 Å²	76.2	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.9	177.9	175.8	0	0	0	0	109.1	K908 N912 T920 R921	K908-V910 PolarHBondContact O-N 2.85Å; V910-N912 PolarHBondContact O-ND2 3.49Å; V910-T920 WeakPolarHBondContact O-CA 3.47Å; V910-R921 PolarHBondContact N-O 3Å; V910-R921 PolarHBondContact O-N 2.88Å
911	T	90.4	Very high	91.5	Very high	91 Å²	91	76.5 Å²	76.5	56%	0.558	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	106.6	-173.5	-61.8	0	0	0	0	109.8	V918 T920	T911-V918 HydrophobicContact CG2-CG1 3.27Å; T911-T920 WeakPolarHBondContact OG1-CG2 3.11Å; T911-T920 PolarHBondContact OG1-OG1 3.38Å
912	N	85.8	Confident	91.5	Very high	67 Å²	67	72.3 Å²	72.3	36%	0.358	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.9	-175	-64.3	-72.2	0	0	0	111.1	V910 V918 E919	V910-N912 PolarHBondContact O-ND2 3.49Å; N912-V918 CarbonylContact O-C 3.56Å; N912-V918 WeakPolarHBondContact O-CA 3.34Å; N912-V918 WeakPolarHBondContact O-CG1 3.4Å; N912-E919 PolarHBondContact N-O 3.39Å; N912-E919 PolarHBondContact O-N 3.11Å
913	R	89.7	Confident	91.2	Very high	237 Å²	237	75 Å²	75	89%	0.894	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.1	168.8	-65.8	-177.6	179.9	-179.2	-0.9	109.2
914	V	89.6	Confident	91	Very high	53 Å²	53	72.7 Å²	72.7	32%	0.321	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.7	-178.1	-65.9	0	0	0	0	110.2	G916 G917 E919	V914-G916 PolarHBondContact O-N 3.29Å; V914-G917 PolarHBondContact N-O 2.71Å; V914-G917 PolarHBondContact O-N 2.87Å; V914-E919 HydrophobicContact CG1-CB 4.12Å; V914-E919 HydrophobicContact CG2-CB 3.94Å
915	P	88	Confident	90.8	Very high	140 Å²	140	74.6 Å²	74.6	91%	0.909	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	116.2	172.8	-23.5	34.8	0	0	0	110.6
916	G	88.3	Confident	90.7	Very high	94 Å²	94	77.8 Å²	77.8	97%	0.969	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	0.1	-175.5	0	0	0	0	0	115.9	V914	V914-G916 PolarHBondContact O-N 3.29Å
917	G	90.6	Very high	90.7	Very high	39 Å²	39	75.1 Å²	75.1	40%	0.402	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-138.2	171.3	0	0	0	0	0	115.2	V914	V914-G917 PolarHBondContact N-O 2.71Å; V914-G917 PolarHBondContact O-N 2.87Å
918	V	91.9	Very high	90.9	Very high	95 Å²	95	78.2 Å²	78.2	58%	0.576	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.4	-179.3	-169.6	0	0	0	0	108.4	T911 N912	T911-V918 HydrophobicContact CG2-CG1 3.27Å; N912-V918 CarbonylContact O-C 3.56Å; N912-V918 WeakPolarHBondContact O-CA 3.34Å; N912-V918 WeakPolarHBondContact O-CG1 3.4Å
919	E	92.3	Very high	91	Very high	63 Å²	63	74.1 Å²	74.1	29%	0.294	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124	-177.1	-171.4	-175.6	-145.7	0	0	110.5	N912 V914 R921	N912-E919 PolarHBondContact N-O 3.39Å; N912-E919 PolarHBondContact O-N 3.11Å; V914-E919 HydrophobicContact CG1-CB 4.12Å; V914-E919 HydrophobicContact CG2-CB 3.94Å; E919-R921 HydrophobicContact CG-CG 4.31Å; E919-R921 IonicContact OE1-CZ 2.64Å; E919-R921 IonicContact OE1-NE 2.64Å; E919-R921 PolarHBondContact OE1-NE 2.89Å; E919-R921 IonicContact OE1-NH2 3.98Å; E919-R921 PolarHBondContact OE1-NH2 3.36Å; E919-R921 IonicContact OE2-CZ 3.73Å; E919-R921 VanDerWaalsContact OE2-CZ 3.26Å; E919-R921 IonicContact OE2-NE 2.9Å; E919-R921 PolarHBondContact OE2-NE 3.19Å; E919-R921 IonicContact OE2-NH2 2.66Å; E919-R921 PolarHBondContact OE2-NH2 2.92Å
920	T	94.6	Very high	90.9	Very high	45 Å²	45	75.7 Å²	75.7	28%	0.276	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128	175.3	-51.1	0	0	0	0	110.5	V910 T911 M929	V910-T920 WeakPolarHBondContact O-CA 3.47Å; T911-T920 WeakPolarHBondContact OG1-CG2 3.11Å; T911-T920 PolarHBondContact OG1-OG1 3.38Å; T920-M929 HydrophobicContact CG2-CG 3.5Å; T920-M929 VanDerWaalsContact CG2-CG 3.5Å; T920-M929 HydrophobicContact CG2-SD 3.74Å; T920-M929 PolarHBondContact O-N 2.69Å
921	R	93.6	Very high	91	Very high	75 Å²	75	74 Å²	74	28%	0.283	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.4	179.3	-69.4	177.7	176.4	-91.8	-6.9	110.7	V910 E919 S923 Q926 G927	V910-R921 PolarHBondContact N-O 3Å; V910-R921 PolarHBondContact O-N 2.88Å; E919-R921 HydrophobicContact CG-CG 4.31Å; E919-R921 IonicContact OE1-CZ 2.64Å; E919-R921 IonicContact OE1-NE 2.64Å; E919-R921 PolarHBondContact OE1-NE 2.89Å; E919-R921 IonicContact OE1-NH2 3.98Å; E919-R921 PolarHBondContact OE1-NH2 3.36Å; E919-R921 IonicContact OE2-CZ 3.73Å; E919-R921 VanDerWaalsContact OE2-CZ 3.26Å; E919-R921 IonicContact OE2-NE 2.9Å; E919-R921 PolarHBondContact OE2-NE 3.19Å; E919-R921 IonicContact OE2-NH2 2.66Å; E919-R921 PolarHBondContact OE2-NH2 2.92Å; R921-S923 PolarHBondContact O-N 2.9Å; R921-Q926 WeakPolarHBondContact CD-O 3.37Å; R921-Q926 PolarHBondContact NH1-O 3.25Å; R921-G927 CarbonylContact C-O 3.59Å; R921-G927 VanDerWaalsContact CA-O 3.23Å; R921-G927 WeakPolarHBondContact CA-O 3.37Å; R921-G927 WeakPolarHBondContact CB-O 3.38Å
922	Y	94	Very high	91.2	Very high	37 Å²	37	75.3 Å²	75.3	15%	0.145	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	126.6	175.9	-65.1	-74.7	0	0	0	111.1	H905 G907 C924 C925 Q926 G927 V928 M929 G930	H905-Y922 HydrophobicContact CB-CD1 3.8Å; H905-Y922 HydrophobicContact CB-CE1 4.15Å; H905-Y922 HydrophobicContact CB-CG 4.08Å; H905-Y922 AromaticContact CD2-CD1 3.9Å; H905-Y922 AromaticContact CD2-CD2 3.54Å; H905-Y922 AromaticContact CD2-CE1 3.75Å; H905-Y922 AromaticContact CD2-CE2 3.35Å; H905-Y922 WeakPolarHBondContact CD2-CE2 3.38Å; H905-Y922 AromaticContact CD2-CG 3.81Å; H905-Y922 AromaticContact CD2-CZ 3.48Å; H905-Y922 VanDerWaalsContact CD2-CZ 3.48Å; H905-Y922 AromaticContact CE1-CD2 3.83Å; H905-Y922 AromaticContact CG-CD1 3.86Å; H905-Y922 AromaticContact CG-CD2 3.86Å; H905-Y922 AromaticContact CG-CG 3.72Å; H905-Y922 AromaticContact NE2-CD2 3.51Å; H905-Y922 AromaticContact NE2-CE2 3.41Å; H905-Y922 WeakPolarHBondContact NE2-CE2 3.42Å; G907-Y922 WeakPolarHBondContact O-CD1 3.1Å; Y922-C924 PolarHBondContact O-N 3.2Å; Y922-C924 VanDerWaalsContact O-N 3.11Å; Y922-C925 PolarHBondContact O-N 2.85Å; Y922-Q926 WeakPolarHBondContact O-CA 3.38Å; Y922-Q926 PolarHBondContact O-N 2.91Å; Y922-G927 PolarHBondContact N-O 3.18Å; Y922-V928 WeakPolarHBondContact CD2-O 3.23Å; Y922-V928 WeakPolarHBondContact CE2-O 3.49Å; Y922-M929 HydrophobicContact CD1-SD 3.97Å; Y922-M929 HydrophobicContact CD2-SD 4.44Å; Y922-M929 HydrophobicContact CE1-CE 3.88Å; Y922-M929 HydrophobicContact CE1-SD 3.66Å; Y922-M929 HydrophobicContact CE2-SD 4.17Å; Y922-M929 HydrophobicContact CG-SD 4.34Å; Y922-G930 PolarHBondContact OH-N 2.91Å
923	S	90.6	Very high	91.5	Very high	57 Å²	57	73.2 Å²	73.2	40%	0.399	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.1	-175.2	63.5	0	0	0	0	114.4	G907 K908 R921 Q926	G907-S923 WeakPolarHBondContact CA-OG 3.46Å; K908-S923 PolarHBondContact N-OG 3.28Å; K908-S923 PolarHBondContact O-N 3.45Å; K908-S923 PolarHBondContact O-OG 3.21Å; R921-S923 PolarHBondContact O-N 2.9Å; S923-Q926 PolarHBondContact O-NE2 2.88Å
924	C	90.1	Very high	91.7	Very high	23 Å²	23	64.7 Å²	64.7	16%	0.155	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-31	-178.6	48.6	0	0	0	0	115	Y906 G907 Y922	Y906-C924 HydrophobicContact CD1-CB 3.69Å; Y906-C924 HydrophobicContact CD2-CB 3.99Å; Y906-C924 HydrophobicContact CE1-CB 3.29Å; Y906-C924 HydrophobicContact CE2-CB 3.63Å; Y906-C924 HydrophobicContact CG-CB 4.01Å; G907-C924 PolarHBondContact N-SG 2.82Å; G907-C924 VanDerWaalsContact N-SG 3.42Å; Y922-C924 PolarHBondContact O-N 3.2Å; Y922-C924 VanDerWaalsContact O-N 3.11Å
925	C	91.7	Very high	91.9	Very high	55 Å²	55	64.5 Å²	64.5	37%	0.372	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-6.5	-170.9	63.7	0	0	0	0	114.4	H905 Y922 G927 C934	H905-C925 VanDerWaalsContact CE1-SG 3.6Å; Y922-C925 PolarHBondContact O-N 2.85Å; C925-G927 PolarHBondContact O-N 3.41Å; C925-G927 VanDerWaalsContact O-N 3.14Å; C925-G927 PolarHBondContact SG-N 3.13Å; C925-G927 VanDerWaalsContact SG-N 3.35Å; C925-C934 HydrophobicContact CB-CB 3.56Å
926	Q	92.4	Very high	92.2	Very high	97 Å²	97	63.9 Å²	63.9	45%	0.453	41%	0.411	S	S	.	.			trans	57.2	17	-170.7	-54.8	-59.3	-39.2	0	0	114.4	R921 Y922 S923	R921-Q926 WeakPolarHBondContact CD-O 3.37Å; R921-Q926 PolarHBondContact NH1-O 3.25Å; Y922-Q926 WeakPolarHBondContact O-CA 3.38Å; Y922-Q926 PolarHBondContact O-N 2.91Å; S923-Q926 PolarHBondContact O-NE2 2.88Å
927	G	91.4	Very high	92.4	Very high	20 Å²	20	61.9 Å²	61.9	21%	0.206	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-66.1	149.9	168.6	0	0	0	0	0	111.5	R921 Y922 C925	R921-G927 CarbonylContact C-O 3.59Å; R921-G927 VanDerWaalsContact CA-O 3.23Å; R921-G927 WeakPolarHBondContact CA-O 3.37Å; R921-G927 WeakPolarHBondContact CB-O 3.38Å; Y922-G927 PolarHBondContact N-O 3.18Å; C925-G927 PolarHBondContact O-N 3.41Å; C925-G927 VanDerWaalsContact O-N 3.14Å; C925-G927 PolarHBondContact SG-N 3.13Å; C925-G927 VanDerWaalsContact SG-N 3.35Å
928	V	92.4	Very high	92.6	Very high	73 Å²	73	68 Å²	68	44%	0.442	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-63.9	151.8	175.3	-62.4	0	0	0	0	111.1	Y922 G930 A931	Y922-V928 WeakPolarHBondContact CD2-O 3.23Å; Y922-V928 WeakPolarHBondContact CE2-O 3.49Å; V928-G930 PolarHBondContact O-N 3.36Å; V928-A931 HydrophobicContact CG2-CB 4.24Å; V928-A931 WeakPolarHBondContact O-CB 3.41Å; V928-A931 PolarHBondContact O-N 3.47Å; V928-A931 VanDerWaalsContact O-N 3.08Å
929	M	92.3	Very high	92.7	Very high	95 Å²	95	65.3 Å²	65.3	47%	0.468	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	137.8	173.6	-68.8	-59.1	-68.2	0	0	111.4	T920 Y922 A931	T920-M929 HydrophobicContact CG2-CG 3.5Å; T920-M929 VanDerWaalsContact CG2-CG 3.5Å; T920-M929 HydrophobicContact CG2-SD 3.74Å; T920-M929 PolarHBondContact O-N 2.69Å; Y922-M929 HydrophobicContact CD1-SD 3.97Å; Y922-M929 HydrophobicContact CD2-SD 4.44Å; Y922-M929 HydrophobicContact CE1-CE 3.88Å; Y922-M929 HydrophobicContact CE1-SD 3.66Å; Y922-M929 HydrophobicContact CE2-SD 4.17Å; Y922-M929 HydrophobicContact CG-SD 4.34Å; M929-A931 VanDerWaalsContact C-N 3.29Å; M929-A931 PolarHBondContact O-N 3.06Å
930	G	89.9	Confident	92.8	Very high	69 Å²	69	62.9 Å²	62.9	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-4.6	-175.5	0	0	0	0	0	115.4	Y922 V928	Y922-G930 PolarHBondContact OH-N 2.91Å; V928-G930 PolarHBondContact O-N 3.36Å
931	A	92.1	Very high	92.9	Very high	28 Å²	28	60.8 Å²	60.8	23%	0.231	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-61.3	148.2	168.7	0	0	0	0	0	111.4	H905 V928 M929	H905-A931 PolarHBondContact NE2-O 3.25Å; V928-A931 HydrophobicContact CG2-CB 4.24Å; V928-A931 WeakPolarHBondContact O-CB 3.41Å; V928-A931 PolarHBondContact O-N 3.47Å; V928-A931 VanDerWaalsContact O-N 3.08Å; M929-A931 VanDerWaalsContact C-N 3.29Å; M929-A931 PolarHBondContact O-N 3.06Å
932	P	92.7	Very high	92.9	Very high	120 Å²	120	57.8 Å²	57.8	78%	0.779	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-59.4	150.2	176	26.4	-35.5	0	0	0	111.8	H905 C934	H905-P932 PolarHBondContact CE1-O 2.62Å; H905-P932 PolarHBondContact NE2-O 3.46Å; P932-C934 PolarHBondContact O-N 2.66Å
933	G	93.8	Very high	92.8	Very high	22 Å²	22	59 Å²	59	23%	0.227	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-55.1	132.1	-173.5	0	0	0	0	0	114.2	Y904 Q935	Y904-G933 CarbonylContact O-C 3.58Å; Y904-G933 VanDerWaalsContact O-C 3.31Å; Y904-G933 VanDerWaalsContact O-CA 3.25Å; Y904-G933 WeakPolarHBondContact O-CA 3.48Å; G933-Q935 VanDerWaalsContact C-N 3.32Å
934	C	93.7	Very high	92.8	Very high	58 Å²	58	62 Å²	62	39%	0.392	35%	0.351	S	S	.	.	S	Bend	trans	-81.1	-7.9	-180	74.6	0	0	0	0	114.5	Y904 H905 C925 P932	Y904-C934 PolarHBondContact O-N 3.13Å; H905-C934 PolarHBondContact CE1-N 3.36Å; H905-C934 VanDerWaalsContact CE1-N 3.25Å; H905-C934 PolarHBondContact ND1-N 2.58Å; H905-C934 VanDerWaalsContact ND1-N 3.2Å; H905-C934 PolarHBondContact ND1-SG 2.86Å; C925-C934 HydrophobicContact CB-CB 3.56Å; P932-C934 PolarHBondContact O-N 2.66Å
935	Q	93	Very high	92.9	Very high	50 Å²	50	61.9 Å²	61.9	23%	0.234	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.3	174.8	-175.8	167.2	-18.1	0	0	109.5	Y904 Y906 G933	Y904-Q935 HydrophobicContact CD1-CB 4.37Å; Y904-Q935 VanDerWaalsContact CD1-O 3.23Å; Y904-Q935 WeakPolarHBondContact CD1-O 3.36Å; Y904-Q935 HydrophobicContact CE1-CB 4.01Å; Y904-Q935 HydrophobicContact CE1-CG 3.79Å; Y904-Q935 PolarHBondContact N-O 2.91Å; Y904-Q935 PolarHBondContact O-N 3.33Å; Y904-Q935 PolarHBondContact OH-NE2 3.18Å; Y906-Q935 HydrophobicContact CD1-CB 4.5Å; G933-Q935 VanDerWaalsContact C-N 3.32Å
936	M	93.6	Very high	92.7	Very high	126 Å²	126	61.6 Å²	61.6	62%	0.621	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.8	177.4	-39.5	-164.6	-53.7	0	0	108.7	C902 N903	C902-M936 CarbonylContact O-C 3.56Å; C902-M936 WeakPolarHBondContact O-CA 3.23Å; N903-M936 WeakPolarHBondContact OD1-CB 3.16Å; N903-M936 WeakPolarHBondContact OD1-CG 3.31Å; N903-M936 PolarHBondContact OD1-SD 2.9Å
937	F	94.4	Very high	92.7	Very high	52 Å²	52	59.2 Å²	59.2	23%	0.228	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.2	172.6	-163.8	-95.7	0	0	0	110.4	E901 C902 Y904 L939 I1007 D1008	E901-F937 CarbonylContact C-O 3.56Å; E901-F937 WeakPolarHBondContact CA-O 3.47Å; C902-F937 HydrophobicContact CB-CB 4.47Å; C902-F937 PolarHBondContact N-O 3.09Å; C902-F937 PolarHBondContact O-N 3.42Å; Y904-F937 HydrophobicContact CE1-CB 4.03Å; F937-L939 WeakPolarHBondContact CD1-O 3.39Å; F937-L939 PolarHBondContact O-N 3.15Å; F937-L939 VanDerWaalsContact O-N 3.17Å; F937-I1007 HydrophobicContact CE1-CG2 3.88Å; F937-I1007 WeakPolarHBondContact CZ-O 3.43Å; F937-D1008 HydrophobicContact CE1-CB 4.01Å; F937-D1008 HydrophobicContact CE2-CB 4.28Å; F937-D1008 WeakPolarHBondContact CE2-OD2 3.13Å; F937-D1008 HydrophobicContact CZ-CB 3.65Å
938	K	93.1	Very high	92.7	Very high	167 Å²	167	62.4 Å²	62.4	73%	0.726	35%	0.35	S	S	*	.	S	Bend	trans	-67.1	-18.9	-168	-65.5	-179.1	-179.4	174.7	0	115.4
939	L	94.9	Very high	92.7	Very high	39 Å²	39	61 Å²	61	20%	0.204	35%	0.351	C	S	.	.	S	Bend	trans	-144.3	157	-174.7	-67.5	176.5	0	0	0	110.4	H896 T899 C902 F937 I1007	H896-L939 HydrophobicContact CB-CD2 4.28Å; T899-L939 HydrophobicContact CG2-CD2 4.28Å; C902-L939 WeakPolarHBondContact CB-O 3.46Å; F937-L939 WeakPolarHBondContact CD1-O 3.39Å; F937-L939 PolarHBondContact O-N 3.15Å; F937-L939 VanDerWaalsContact O-N 3.17Å; L939-I1007 HydrophobicContact CB-CG2 3.94Å; L939-I1007 HydrophobicContact CD1-CG2 4Å
940	H	94.9	Very high	92.9	Very high	13 Å²	13	57 Å²	57	6%	0.06	33%	0.331	C	S	.	.			trans	-81.4	151.9	167.8	-62.5	-78.8	0	0	0	111.1	C881 C884 Y888 H896	C881-H940 HydrophobicContact CB-CB 3.85Å; C884-H940 PolarHBondContact SG-ND1 3.33Å; C884-H940 VanDerWaalsContact SG-ND1 3.42Å; Y888-H940 HydrophobicContact CD1-CB 3.34Å; Y888-H940 AromaticContact CD1-CG 3.89Å; Y888-H940 HydrophobicContact CD2-CB 4.04Å; Y888-H940 HydrophobicContact CE1-CB 3.42Å; Y888-H940 VanDerWaalsContact CE1-CB 3.42Å; Y888-H940 HydrophobicContact CE2-CB 4.09Å; Y888-H940 HydrophobicContact CG-CB 3.66Å; H896-H940 PolarHBondContact NE2-O 3.39Å
941	V	95.2	Very high	93.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	31%	0.309	C	S	.	.			trans	-134.5	157.1	-180	-62.6	0	0	0	0	110.7	C881 C882 R883 Y975 I1007	C881-V941 CarbonylContact C-O 3.59Å; C881-V941 VanDerWaalsContact CA-O 3.23Å; C881-V941 WeakPolarHBondContact CA-O 3.38Å; C881-V941 PolarHBondContact SG-O 3.43Å; C882-V941 PolarHBondContact N-O 2.9Å; C882-V941 PolarHBondContact SG-O 3.24Å; R883-V941 HydrophobicContact CG-CG2 3.87Å; V941-Y975 HydrophobicContact CB-CD1 3.6Å; V941-Y975 HydrophobicContact CB-CE1 4.26Å; V941-Y975 HydrophobicContact CB-CG 3.76Å; V941-Y975 HydrophobicContact CG1-CD1 4.39Å; V941-Y975 HydrophobicContact CG1-CG 4.06Å; V941-Y975 HydrophobicContact CG2-CD1 3.72Å; V941-Y975 HydrophobicContact CG2-CD2 4.27Å; V941-Y975 HydrophobicContact CG2-CE1 3.92Å; V941-Y975 HydrophobicContact CG2-CE2 4.48Å; V941-Y975 HydrophobicContact CG2-CG 3.88Å; V941-I1007 HydrophobicContact CG1-CB 4.16Å; V941-I1007 HydrophobicContact CG1-CD1 4.27Å; V941-I1007 HydrophobicContact CG1-CG2 3.58Å
942	H	94	Very high	93.3	Very high	11 Å²	11	57.1 Å²	57.1	5%	0.051	32%	0.317	C	S	.	.			trans	-136	152.4	-176.2	66	112.2	0	0	0	112.7	I880 Y888 Y944 Q978 G979	I880-H942 WeakPolarHBondContact O-CB 3.31Å; Y888-H942 PolarHBondContact OH-CD2 3.17Å; H942-Y944 VanDerWaalsContact C-N 3.31Å; H942-Y944 WeakPolarHBondContact ND1-CB 3.1Å; H942-Y944 PolarHBondContact O-N 2.71Å; H942-Q978 VanDerWaalsContact CE1-C 3.48Å; H942-Q978 PolarHBondContact CE1-O 3.16Å; H942-G979 PolarHBondContact NE2-N 2.88Å; H942-G979 CarbonylContact O-C 3.6Å; H942-G979 WeakPolarHBondContact O-CA 3.31Å
943	D	92.2	Very high	93.5	Very high	64 Å²	64	52 Å²	52	34%	0.342	28%	0.284	S	S	.	.			trans	-93.8	31.1	-176.8	66.4	-62.1	0	0	0	113.2	K870 C882 L980	K870-D943 PolarHBondContact NZ-O 3.42Å; K870-D943 IonicContact NZ-OD2 3.91Å; K870-D943 PolarHBondContact NZ-OD2 3.49Å; C882-D943 HydrophobicContact CB-CB 4.13Å; C882-D943 WeakPolarHBondContact CB-OD1 3.4Å; D943-L980 HydrophobicContact CB-CD1 4.01Å
944	Y	91.2	Very high	93.4	Very high	118 Å²	118	54.1 Å²	54.1	46%	0.463	30%	0.299	S	S	.	.			trans	-72.7	144	174	-179.6	-102.5	0	0	0	110	H942 Q978 G979 L980	H942-Y944 VanDerWaalsContact C-N 3.31Å; H942-Y944 WeakPolarHBondContact ND1-CB 3.1Å; H942-Y944 PolarHBondContact O-N 2.71Å; Y944-Q978 WeakPolarHBondContact CD1-O 3.26Å; Y944-G979 WeakPolarHBondContact O-CA 3.36Å; Y944-L980 PolarHBondContact O-N 2.69Å
945	L	90.9	Very high	93.3	Very high	22 Å²	22	56 Å²	56	12%	0.115	31%	0.311	C	S	.	.			trans	-121.8	127.7	175.6	-63.5	166.5	0	0	0	106.9	L947 L980 C1055 L1056	L945-L947 PolarHBondContact O-N 2.81Å; L945-L980 HydrophobicContact CD2-CB 3.91Å; L945-C1055 HydrophobicContact CD1-CB 3.85Å; L945-L1056 HydrophobicContact CD2-CD2 3.54Å; L945-L1056 HydrophobicContact CD2-CG 4Å
946	S	89.3	Confident	93	Very high	49 Å²	49	56.6 Å²	56.6	34%	0.343	31%	0.311	S	S	.	.			trans	-71.3	122	174.2	170.3	0	0	0	0	109.2	D948	S946-D948 VanDerWaalsContact C-N 3.25Å; S946-D948 PolarHBondContact O-N 2.81Å
947	L	91.1	Very high	92.4	Very high	46 Å²	46	59.8 Å²	59.8	24%	0.241	32%	0.316	C	S	.	.			trans	-86.3	12.9	-178.9	-58.7	-175.4	0	0	0	113.6	S863 A864 L866 L945 F950	S863-L947 CarbonylContact C-O 3.57Å; S863-L947 WeakPolarHBondContact CA-O 3.41Å; A864-L947 PolarHBondContact N-O 2.91Å; L866-L947 HydrophobicContact CD1-CD2 3.8Å; L866-L947 HydrophobicContact CG-CD1 4.48Å; L866-L947 HydrophobicContact CG-CD2 3.95Å; L945-L947 PolarHBondContact O-N 2.81Å; L947-F950 WeakPolarHBondContact O-CD2 3.43Å
948	D	91.1	Very high	91.2	Very high	88 Å²	88	64.1 Å²	64.1	47%	0.471	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-117.8	143.6	-176.5	-62.3	-55	0	0	0	112	S863 S946 K1058	S863-D948 WeakPolarHBondContact CB-OD1 3.48Å; S863-D948 PolarHBondContact OG-OD1 3Å; S946-D948 VanDerWaalsContact C-N 3.25Å; S946-D948 PolarHBondContact O-N 2.81Å; D948-K1058 WeakPolarHBondContact O-CD 3.32Å; D948-K1058 WeakPolarHBondContact O-CE 3.36Å; D948-K1058 PolarHBondContact O-NZ 3.03Å
949	G	92.6	Very high	90.1	Very high	44 Å²	44	60.5 Å²	60.5	45%	0.454	34%	0.344	S	S	.	.	S	Bend	trans	92.1	29.8	-176.4	0	0	0	0	0	113.7	G862 K1058	G862-G949 PolarHBondContact O-N 2.65Å; G949-K1058 WeakPolarHBondContact O-CB 3.48Å
950	F	96.1	Very high	89.2	Confident	10 Å²	10	62 Å²	62	4%	0.044	35%	0.353	C	S	.	.			trans	-80.9	142.4	177.4	-81.9	-107.8	0	0	0	112.4	P854 G862 A864 L947 C1055 K1058 L1060	P854-F950 HydrophobicContact CB-CD1 4.32Å; P854-F950 HydrophobicContact CB-CE1 3.59Å; P854-F950 HydrophobicContact CB-CZ 4.29Å; P854-F950 HydrophobicContact CG-CE1 4.03Å; G862-F950 WeakPolarHBondContact CA-O 3.37Å; G862-F950 PolarHBondContact O-N 2.83Å; A864-F950 HydrophobicContact CB-CD1 3.8Å; A864-F950 HydrophobicContact CB-CD2 3.84Å; A864-F950 HydrophobicContact CB-CE1 3.77Å; A864-F950 HydrophobicContact CB-CE2 3.85Å; A864-F950 HydrophobicContact CB-CG 3.83Å; A864-F950 HydrophobicContact CB-CZ 3.8Å; L947-F950 WeakPolarHBondContact O-CD2 3.43Å; F950-C1055 HydrophobicContact CZ-CB 4.49Å; F950-K1058 CarbonylContact C-O 3.6Å; F950-K1058 VanDerWaalsContact CA-O 3.25Å; F950-K1058 WeakPolarHBondContact CA-O 3.3Å; F950-K1058 HydrophobicContact CD1-CB 4.08Å; F950-K1058 HydrophobicContact CD2-CB 3.84Å; F950-K1058 HydrophobicContact CD2-CG 4.2Å; F950-K1058 HydrophobicContact CE1-CB 4.22Å; F950-K1058 HydrophobicContact CE2-CB 3.93Å; F950-K1058 HydrophobicContact CE2-CD 4.43Å; F950-K1058 HydrophobicContact CE2-CG 3.9Å; F950-K1058 HydrophobicContact CG-CB 3.9Å; F950-K1058 HydrophobicContact CZ-CB 4.14Å; F950-K1058 HydrophobicContact CZ-CG 4.22Å; F950-L1060 HydrophobicContact CB-CD1 4.09Å; F950-L1060 HydrophobicContact CB-CG 4.07Å; F950-L1060 HydrophobicContact CD1-CD2 3.69Å; F950-L1060 HydrophobicContact CD1-CG 3.88Å; F950-L1060 HydrophobicContact CE1-CD2 4.36Å; F950-L1060 HydrophobicContact CG-CD2 4.44Å; F950-L1060 HydrophobicContact CG-CG 4.41Å
951	V	96	Very high	88	Confident	41 Å²	41	67.3 Å²	67.3	25%	0.248	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.6	175	-63.2	0	0	0	0	110.1	Q1032 L1036 K1058 L1059 L1060	V951-Q1032 HydrophobicContact CG2-CB 4.13Å; V951-Q1032 HydrophobicContact CG2-CG 3.94Å; V951-L1036 HydrophobicContact CB-CD1 4.2Å; V951-L1036 HydrophobicContact CG2-CD1 3.94Å; V951-K1058 PolarHBondContact N-O 2.77Å; V951-L1059 HydrophobicContact CG2-CD1 3.97Å; V951-L1059 WeakPolarHBondContact O-CA 3.44Å; V951-L1060 PolarHBondContact O-N 3.45Å
952	S	95.8	Very high	87.4	Confident	59 Å²	59	70.4 Å²	70.4	41%	0.413	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.2	179.5	-50.3	0	0	0	0	111.5	A954 L1060	S952-A954 PolarHBondContact O-N 3.26Å; S952-L1060 WeakPolarHBondContact CA-O 3.45Å
953	T	95.6	Very high	86.8	Confident	13 Å²	13	71.3 Å²	71.3	8%	0.08	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-64.9	129.9	170.2	52.9	0	0	0	0	110.4	L1036 I1039 A1041 L1059 L1060 H1061	T953-L1036 HydrophobicContact CG2-CD2 4.06Å; T953-I1039 HydrophobicContact CG2-CG2 4.07Å; T953-A1041 WeakPolarHBondContact OG1-CA 3.47Å; T953-L1059 HydrophobicContact CG2-CD1 3.81Å; T953-L1059 HydrophobicContact CG2-CD2 4.42Å; T953-L1059 HydrophobicContact CG2-CG 4.25Å; T953-L1060 PolarHBondContact N-O 3.12Å; T953-L1060 PolarHBondContact OG1-O 3.3Å; T953-H1061 HydrophobicContact CG2-CB 3.94Å; T953-H1061 PolarHBondContact OG1-ND1 3.3Å
954	A	93.3	Very high	86.6	Confident	65 Å²	65	69.4 Å²	69.4	54%	0.537	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-80.9	143.5	179.4	0	0	0	0	0	112	S952 S1040 A1041	S952-A954 PolarHBondContact O-N 3.26Å; A954-S1040 CarbonylContact O-C 3.49Å; A954-S1040 WeakPolarHBondContact O-CA 3.48Å; A954-S1040 WeakPolarHBondContact O-CB 3.36Å; A954-A1041 PolarHBondContact O-N 2.79Å
955	P	90.9	Very high	86.6	Confident	99 Å²	99	64 Å²	64	64%	0.643	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-65.4	152.2	173.3	29.3	-35.5	0	0	0	111.4	A1041	P955-A1041 HydrophobicContact CB-CB 4.33Å
956	R	85.9	Confident	86.7	Confident	62 Å²	62	63 Å²	63	23%	0.234	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-69.6	157.7	178.9	-63.4	-166.7	71.4	-146.2	0.9	111.9	D960 S962 C963 S1040 D1042	R956-D960 IonicContact CZ-OD2 3.61Å; R956-D960 PolarHBondContact NH1-O 3.49Å; R956-D960 IonicContact NH2-OD2 2.79Å; R956-D960 PolarHBondContact NH2-OD2 3.32Å; R956-S962 PolarHBondContact NH1-O 3Å; R956-S962 PolarHBondContact NH1-OG 2.79Å; R956-S962 PolarHBondContact NH2-OG 3.48Å; R956-C963 PolarHBondContact NH1-O 3.02Å; R956-S1040 WeakPolarHBondContact CD-OG 3.45Å; R956-S1040 WeakPolarHBondContact CG-OG 3.31Å; R956-D1042 HydrophobicContact CG-CB 4.25Å; R956-D1042 WeakPolarHBondContact CG-OD2 3.42Å; R956-D1042 PolarHBondContact N-OD2 3Å
957	R	82.3	Confident	87.1	Confident	193 Å²	193	61.6 Å²	61.6	73%	0.728	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-70.8	132.6	173.2	-65.1	-178.1	178.8	-177.5	-0.1	109	S959 D960	R957-S959 WeakPolarHBondContact CB-OG 3.33Å; R957-S959 PolarHBondContact O-N 3.26Å; R957-D960 WeakPolarHBondContact O-CB 3.19Å; R957-D960 PolarHBondContact O-N 3.43Å
958	P	69	Low	87.4	Confident	143 Å²	143	59.4 Å²	59.4	93%	0.929	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.4	178.2	-27.7	35.9	0	0	0	115.5	D960	P958-D960 VanDerWaalsContact C-N 3.29Å
959	S	70.8	Confident	87.7	Confident	90 Å²	90	55.2 Å²	55.2	63%	0.629	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.1	170.9	48.7	0	0	0	0	114.5	R957 S961	R957-S959 WeakPolarHBondContact CB-OG 3.33Å; R957-S959 PolarHBondContact O-N 3.26Å; S959-S961 PolarHBondContact O-N 3.42Å
960	D	74.7	Confident	87.9	Confident	70 Å²	70	54.1 Å²	54.1	37%	0.374	32%	0.324	S	S	.	.			trans	-92.3	82.9	-162.6	-71.1	23.8	0	0	0	112.3	R956 R957 P958 S962	R956-D960 IonicContact CZ-OD2 3.61Å; R956-D960 PolarHBondContact NH1-O 3.49Å; R956-D960 IonicContact NH2-OD2 2.79Å; R956-D960 PolarHBondContact NH2-OD2 3.32Å; R957-D960 WeakPolarHBondContact O-CB 3.19Å; R957-D960 PolarHBondContact O-N 3.43Å; P958-D960 VanDerWaalsContact C-N 3.29Å; D960-S962 PolarHBondContact O-N 2.76Å
961	S	70.6	Confident	87.9	Confident	125 Å²	125	53.9 Å²	53.9	87%	0.874	32%	0.323	S	S	*	.			trans	-68	11.6	177.5	60.5	0	0	0	0	116	S959	S959-S961 PolarHBondContact O-N 3.42Å
962	S	81.2	Confident	87.9	Confident	67 Å²	67	52.5 Å²	52.5	47%	0.469	31%	0.314	S	S	.	.	S	Bend	trans	-81.7	160.2	172.9	76.3	0	0	0	0	111.6	R956 D960	R956-S962 PolarHBondContact NH1-O 3Å; R956-S962 PolarHBondContact NH1-OG 2.79Å; R956-S962 PolarHBondContact NH2-OG 3.48Å; D960-S962 PolarHBondContact O-N 2.76Å
963	C	83	Confident	87.8	Confident	30 Å²	30	51.5 Å²	51.5	20%	0.203	30%	0.304	C	S	.	.			trans	-52.6	137.3	165.3	-169.2	0	0	0	0	110.6	L832 R956 G965	L832-C963 HydrophobicContact CD2-CB 3.65Å; L832-C963 HydrophobicContact CG-CB 4.01Å; R956-C963 PolarHBondContact NH1-O 3.02Å; C963-G965 PolarHBondContact O-N 3.38Å; C963-G965 PolarHBondContact SG-N 3.1Å; C963-G965 VanDerWaalsContact SG-N 3.39Å
964	P	87	Confident	87.7	Confident	24 Å²	24	50.9 Å²	50.9	16%	0.156	30%	0.3	C	S	.	.			trans	-66.1	-15.6	169.2	-25	37.5	0	0	0	114.4	Y835 D1042 T1043	Y835-P964 HydrophobicContact CE1-CG 4.24Å; Y835-P964 HydrophobicContact CE2-CB 3.86Å; Y835-P964 HydrophobicContact CE2-CG 3.86Å; P964-D1042 HydrophobicContact CB-CB 3.83Å; P964-D1042 WeakPolarHBondContact CB-O 3.3Å; P964-D1042 HydrophobicContact CG-CB 3.94Å; P964-T1043 WeakPolarHBondContact O-CB 3.44Å; P964-T1043 PolarHBondContact O-OG1 3.03Å
965	G	90.8	Very high	87.9	Confident	5 Å²	5	49.4 Å²	49.4	5%	0.052	28%	0.28	C	S	.	.			trans	94.3	159	179	0	0	0	0	0	113.6	C963 I1044	C963-G965 PolarHBondContact O-N 3.38Å; C963-G965 PolarHBondContact SG-N 3.1Å; C963-G965 VanDerWaalsContact SG-N 3.39Å; G965-I1044 PolarHBondContact O-N 3.04Å; G965-I1044 VanDerWaalsContact O-N 3.08Å
966	V	94.8	Very high	88.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.2	172.9	-173.3	0	0	0	0	107.5	L834 Y835 L838 S990 I1044 V1046 M1112	L834-V966 HydrophobicContact CG-CG2 4.32Å; Y835-V966 HydrophobicContact CD2-CG2 4.09Å; L838-V966 HydrophobicContact CD1-CB 4.46Å; L838-V966 HydrophobicContact CD1-CG1 3.45Å; L838-V966 VanDerWaalsContact CD1-CG1 3.45Å; L838-V966 HydrophobicContact CD1-CG2 4.27Å; V966-S990 PolarHBondContact O-N 2.92Å; V966-I1044 WeakPolarHBondContact CA-O 3.39Å; V966-I1044 HydrophobicContact CG1-CB 4.22Å; V966-I1044 HydrophobicContact CG1-CG2 4.1Å; V966-I1044 HydrophobicContact CG2-CB 4.3Å; V966-I1044 HydrophobicContact CG2-CD1 4.34Å; V966-V1046 HydrophobicContact CG1-CG2 3.93Å; V966-M1112 HydrophobicContact CG1-CE 3.99Å; V966-M1112 HydrophobicContact CG1-SD 4.48Å
967	Y	96.4	Very high	88.4	Confident	20 Å²	20	42.3 Å²	42.3	8%	0.078	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.6	177.7	-55.5	-67.5	0	0	0	110.3	M826 V987 I988 V995 F1038 T1043 I1044 L1045 V1046	M826-Y967 HydrophobicContact CE-CE1 3.48Å; M826-Y967 VanDerWaalsContact CE-CE1 3.48Å; M826-Y967 WeakPolarHBondContact CE-OH 3.4Å; M826-Y967 PolarHBondContact SD-OH 2.79Å; Y967-V987 HydrophobicContact CD1-CG1 4.47Å; Y967-V987 HydrophobicContact CG-CG1 4.16Å; Y967-I988 CarbonylContact C-O 3.54Å; Y967-I988 VanDerWaalsContact CA-O 3.23Å; Y967-I988 WeakPolarHBondContact CA-O 3.34Å; Y967-V995 HydrophobicContact CD1-CG2 4.43Å; Y967-V995 HydrophobicContact CE1-CG2 4.41Å; Y967-F1038 HydrophobicContact CD2-CD2 4.35Å; Y967-F1038 HydrophobicContact CD2-CE2 4.16Å; Y967-F1038 AromaticContact CE2-CD2 3.92Å; Y967-F1038 HydrophobicContact CE2-CD2 3.92Å; Y967-F1038 HydrophobicContact CE2-CE2 4.17Å; Y967-F1038 HydrophobicContact CG-CE2 4.44Å; Y967-T1043 HydrophobicContact CD2-CG2 3.5Å; Y967-T1043 HydrophobicContact CE2-CG2 3.61Å; Y967-I1044 PolarHBondContact N-O 2.83Å; Y967-L1045 CarbonylContact O-C 3.52Å; Y967-L1045 WeakPolarHBondContact O-CA 3.2Å; Y967-V1046 PolarHBondContact O-N 2.83Å
968	S	97.5	Very high	88.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.9	161.3	57.1	0	0	0	0	111.4	V987 I988 V1046 A1108	S968-V987 CarbonylContact O-C 3Å; S968-V987 WeakPolarHBondContact O-CA 3.47Å; S968-I988 PolarHBondContact N-O 3.16Å; S968-I988 PolarHBondContact O-N 3.31Å; S968-V1046 CarbonylContact C-O 3.32Å; S968-V1046 WeakPolarHBondContact CA-O 3.02Å; S968-V1046 VanDerWaalsContact CB-O 3.3Å; S968-V1046 WeakPolarHBondContact CB-O 3.23Å; S968-A1108 WeakPolarHBondContact CB-O 3.18Å; S968-A1108 PolarHBondContact OG-O 3.11Å
969	L	97.3	Very high	90.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.3	-174.4	-178.6	149.1	0	0	0	109.5	V985 T986 V987 V1046 L1050 D1053 L1057	L969-V985 HydrophobicContact CD1-CG2 4.36Å; L969-V985 HydrophobicContact CG-CG2 4.35Å; L969-T986 WeakPolarHBondContact CA-O 3.49Å; L969-V987 HydrophobicContact CD1-CG2 4.04Å; L969-V987 HydrophobicContact CG-CG2 4.37Å; L969-V1046 PolarHBondContact N-O 3.43Å; L969-L1050 HydrophobicContact CD2-CD2 3.78Å; L969-D1053 HydrophobicContact CD2-CB 3.94Å; L969-L1057 HydrophobicContact CD1-CD1 3.86Å; L969-L1057 HydrophobicContact CD2-CD1 3.92Å
970	D	97.6	Very high	91.2	Very high	20 Å²	20	26.1 Å²	26.1	11%	0.107	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	138	176	-166.7	83	0	0	0	108.9	T986 T1104 A1108	D970-T986 PolarHBondContact N-O 3.02Å; D970-T986 PolarHBondContact O-N 2.87Å; D970-T1104 HydrophobicContact CB-CG2 4.33Å; D970-T1104 WeakPolarHBondContact O-CG2 3.18Å; D970-T1104 VanDerWaalsContact OD2-CA 3.3Å; D970-T1104 WeakPolarHBondContact OD2-CA 3.47Å; D970-T1104 VanDerWaalsContact OD2-CG2 3.23Å; D970-T1104 WeakPolarHBondContact OD2-CG2 3.09Å; D970-A1108 HydrophobicContact CB-CB 3.72Å
971	C	96.2	Very high	92.2	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.034	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.4	-176.3	-57.2	0	0	0	0	113.4	M973 L982 R984 D1053	C971-M973 WeakPolarHBondContact O-CE 3.48Å; C971-L982 HydrophobicContact CB-CD1 3.56Å; C971-R984 CarbonylContact C-O 3.54Å; C971-R984 VanDerWaalsContact CA-O 3.31Å; C971-R984 WeakPolarHBondContact CA-O 3.48Å; C971-D1053 HydrophobicContact CB-CB 4.44Å; C971-D1053 WeakPolarHBondContact CB-OD1 3.15Å; C971-D1053 PolarHBondContact N-OD1 3.47Å; C971-D1053 PolarHBondContact SG-OD1 3.08Å; C971-D1053 VanDerWaalsContact SG-OD1 3.33Å
972	E	95.1	Very high	93.4	Very high	13 Å²	13	18.6 Å²	18.6	6%	0.061	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	151.5	162.5	-67.2	-60.4	176.7	0	0	112.3	S983 R984 S1014 I1016 T1104	E972-S983 PolarHBondContact O-N 3.38Å; E972-S983 PolarHBondContact O-OG 2.95Å; E972-R984 HydrophobicContact CB-CB 4.04Å; E972-R984 HydrophobicContact CG-CB 4.42Å; E972-R984 PolarHBondContact N-O 3.43Å; E972-R984 PolarHBondContact O-N 3.01Å; E972-S1014 WeakPolarHBondContact OE2-CA 3.44Å; E972-S1014 WeakPolarHBondContact OE2-CB 3.25Å; E972-I1016 HydrophobicContact CB-CD1 3.4Å; E972-I1016 HydrophobicContact CB-CG1 4.34Å; E972-I1016 HydrophobicContact CG-CD1 3.93Å; E972-I1016 HydrophobicContact CG-CG1 4.42Å; E972-T1104 HydrophobicContact CG-CG2 3.69Å
973	M	93.8	Very high	94	Very high	38 Å²	38	15.4 Å²	15.4	19%	0.187	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.2	-172.5	61.3	-151.4	72.3	0	0	112.3	C971 L980 E981 S983 T1052 L1056	C971-M973 WeakPolarHBondContact O-CE 3.48Å; M973-L980 HydrophobicContact CB-CD2 4.45Å; M973-L980 HydrophobicContact CG-CD2 4.2Å; M973-E981 WeakPolarHBondContact CA-O 3.3Å; M973-S983 WeakPolarHBondContact CA-OG 3.38Å; M973-S983 PolarHBondContact N-OG 3.38Å; M973-T1052 HydrophobicContact CE-CG2 4.42Å; M973-T1052 HydrophobicContact SD-CG2 4.06Å; M973-L1056 HydrophobicContact CB-CD1 3.67Å; M973-L1056 HydrophobicContact CE-CD1 3.79Å; M973-L1056 HydrophobicContact CG-CD1 4.32Å; M973-L1056 HydrophobicContact SD-CD1 3.75Å
974	C	94.8	Very high	94.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	161	178.5	66.9	0	0	0	0	111.1	L980 E981 P1002 V1006	C974-L980 WeakPolarHBondContact O-CA 3.44Å; C974-E981 PolarHBondContact N-O 2.9Å; C974-E981 PolarHBondContact O-N 3.35Å; C974-E981 PolarHBondContact SG-O 3.5Å; C974-P1002 VanDerWaalsContact SG-CG 3.51Å; C974-V1006 HydrophobicContact CB-CG1 4.11Å
975	Y	95.9	Very high	95	Very high	33 Å²	33	13.2 Å²	13.2	13%	0.129	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.8	174.4	-66.3	-84	0	0	0	110	V941 G979 L980 I1007 D1008 N1010	V941-Y975 HydrophobicContact CB-CD1 3.6Å; V941-Y975 HydrophobicContact CB-CE1 4.26Å; V941-Y975 HydrophobicContact CB-CG 3.76Å; V941-Y975 HydrophobicContact CG1-CD1 4.39Å; V941-Y975 HydrophobicContact CG1-CG 4.06Å; V941-Y975 HydrophobicContact CG2-CD1 3.72Å; V941-Y975 HydrophobicContact CG2-CD2 4.27Å; V941-Y975 HydrophobicContact CG2-CE1 3.92Å; V941-Y975 HydrophobicContact CG2-CE2 4.48Å; V941-Y975 HydrophobicContact CG2-CG 3.88Å; Y975-G979 CarbonylContact C-O 3.6Å; Y975-G979 WeakPolarHBondContact CA-O 3.01Å; Y975-L980 HydrophobicContact CD1-CD2 3.64Å; Y975-L980 HydrophobicContact CD1-CG 4.12Å; Y975-L980 HydrophobicContact CD2-CD2 4.34Å; Y975-L980 HydrophobicContact CE1-CD1 4.48Å; Y975-L980 HydrophobicContact CE1-CD2 3.47Å; Y975-L980 VanDerWaalsContact CE1-CD2 3.47Å; Y975-L980 HydrophobicContact CE1-CG 3.91Å; Y975-L980 HydrophobicContact CE2-CD2 4.17Å; Y975-L980 HydrophobicContact CG-CD2 4.1Å; Y975-I1007 PolarHBondContact O-N 3.01Å; Y975-D1008 PolarHBondContact N-O 3.48Å; Y975-D1008 PolarHBondContact O-N 3.31Å; Y975-D1008 VanDerWaalsContact O-N 3.1Å; Y975-N1010 HydrophobicContact CD2-CB 4.3Å; Y975-N1010 HydrophobicContact CE2-CB 4.31Å
976	T	95.2	Very high	95.3	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	173.5	179.4	78.9	0	0	0	0	110.6	Q978 G979 E981 P1002 E1005 V1006 I1007	T976-Q978 PolarHBondContact O-N 3.33Å; T976-G979 PolarHBondContact N-O 3.38Å; T976-G979 PolarHBondContact O-N 3.1Å; T976-E981 VanDerWaalsContact CB-OE2 3.27Å; T976-E981 WeakPolarHBondContact CB-OE2 3.37Å; T976-E981 HydrophobicContact CG2-CB 4.02Å; T976-E981 HydrophobicContact CG2-CG 4.26Å; T976-E981 WeakPolarHBondContact CG2-OE2 3.23Å; T976-E981 VanDerWaalsContact OG1-CD 3.31Å; T976-E981 PolarHBondContact OG1-OE2 2.99Å; T976-P1002 HydrophobicContact CG2-CB 4.05Å; T976-E1005 CarbonylContact C-O 3.56Å; T976-E1005 VanDerWaalsContact CA-O 3.24Å; T976-E1005 WeakPolarHBondContact CA-O 3.49Å; T976-E1005 VanDerWaalsContact CB-O 3.3Å; T976-E1005 WeakPolarHBondContact CB-O 3.23Å; T976-V1006 HydrophobicContact CG2-CB 4.41Å; T976-V1006 HydrophobicContact CG2-CG2 4Å; T976-I1007 VanDerWaalsContact C-CD1 3.46Å; T976-I1007 WeakPolarHBondContact O-CD1 3.06Å
977	V	93.8	Very high	95.4	Very high	11 Å²	11	13 Å²	13	7%	0.067	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-6	-179.4	-65	0	0	0	0	115.1	G894 K895 N1004 E1005 I1007	G894-V977 CarbonylContact C-O 3.31Å; G894-V977 WeakPolarHBondContact CA-O 3.4Å; K895-V977 HydrophobicContact CG-CG1 4.23Å; V977-N1004 HydrophobicContact CG2-CB 3.95Å; V977-E1005 HydrophobicContact CG1-CB 4.22Å; V977-E1005 HydrophobicContact CG2-CB 4.11Å; V977-E1005 PolarHBondContact N-O 3.47Å; V977-I1007 HydrophobicContact CG1-CD1 4.21Å; V977-I1007 HydrophobicContact CG1-CG1 4.1Å
978	Q	91.6	Very high	95.3	Very high	63 Å²	63	12.1 Å²	12.1	29%	0.294	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-8	172.8	-63.6	-63	-12.8	0	0	114.6	T893 H942 Y944 T976 N1004	T893-Q978 PolarHBondContact O-NE2 2.96Å; H942-Q978 VanDerWaalsContact CE1-C 3.48Å; H942-Q978 PolarHBondContact CE1-O 3.16Å; Y944-Q978 WeakPolarHBondContact CD1-O 3.26Å; T976-Q978 PolarHBondContact O-N 3.33Å; Q978-N1004 HydrophobicContact CG-CB 4.27Å; Q978-N1004 VanDerWaalsContact CG-CG 3.48Å; Q978-N1004 VanDerWaalsContact CG-OD1 3.28Å; Q978-N1004 WeakPolarHBondContact CG-OD1 3.21Å
979	G	93.4	Very high	95.1	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141	-132	179.8	0	0	0	0	0	113	H942 Y944 Y975 T976	H942-G979 PolarHBondContact NE2-N 2.88Å; H942-G979 CarbonylContact O-C 3.6Å; H942-G979 WeakPolarHBondContact O-CA 3.31Å; Y944-G979 WeakPolarHBondContact O-CA 3.36Å; Y975-G979 CarbonylContact C-O 3.6Å; Y975-G979 WeakPolarHBondContact CA-O 3.01Å; T976-G979 PolarHBondContact N-O 3.38Å; T976-G979 PolarHBondContact O-N 3.1Å
980	L	94.6	Very high	94.8	Very high	22 Å²	22	12.9 Å²	12.9	12%	0.115	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.3	170.5	-78	167.8	0	0	0	110.5	D943 Y944 L945 M973 C974 Y975 L1056	D943-L980 HydrophobicContact CB-CD1 4.01Å; Y944-L980 PolarHBondContact O-N 2.69Å; L945-L980 HydrophobicContact CD2-CB 3.91Å; M973-L980 HydrophobicContact CB-CD2 4.45Å; M973-L980 HydrophobicContact CG-CD2 4.2Å; C974-L980 WeakPolarHBondContact O-CA 3.44Å; Y975-L980 HydrophobicContact CD1-CD2 3.64Å; Y975-L980 HydrophobicContact CD1-CG 4.12Å; Y975-L980 HydrophobicContact CD2-CD2 4.34Å; Y975-L980 HydrophobicContact CE1-CD1 4.48Å; Y975-L980 HydrophobicContact CE1-CD2 3.47Å; Y975-L980 VanDerWaalsContact CE1-CD2 3.47Å; Y975-L980 HydrophobicContact CE1-CG 3.91Å; Y975-L980 HydrophobicContact CE2-CD2 4.17Å; Y975-L980 HydrophobicContact CG-CD2 4.1Å; L980-L1056 HydrophobicContact CB-CD2 4.09Å; L980-L1056 WeakPolarHBondContact O-CD2 3.3Å
981	E	95.5	Very high	94.4	Very high	32 Å²	32	14 Å²	14	15%	0.15	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.6	174.7	-68.2	-178	133.5	0	0	111.6	M973 C974 T976 P1002 N1004	M973-E981 WeakPolarHBondContact CA-O 3.3Å; C974-E981 PolarHBondContact N-O 2.9Å; C974-E981 PolarHBondContact O-N 3.35Å; C974-E981 PolarHBondContact SG-O 3.5Å; T976-E981 VanDerWaalsContact CB-OE2 3.27Å; T976-E981 WeakPolarHBondContact CB-OE2 3.37Å; T976-E981 HydrophobicContact CG2-CB 4.02Å; T976-E981 HydrophobicContact CG2-CG 4.26Å; T976-E981 WeakPolarHBondContact CG2-OE2 3.23Å; T976-E981 VanDerWaalsContact OG1-CD 3.31Å; T976-E981 PolarHBondContact OG1-OE2 2.99Å; E981-P1002 HydrophobicContact CB-CB 4.09Å; E981-N1004 PolarHBondContact OE1-ND2 3.29Å; E981-N1004 WeakPolarHBondContact OE2-CB 3.26Å; E981-N1004 PolarHBondContact OE2-N 2.73Å
982	L	95.7	Very high	94.2	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.9	-178.5	-173.9	66.3	0	0	0	111.7	C971 R984 V1000 L1028 L1056 L1057	C971-L982 HydrophobicContact CB-CD1 3.56Å; L982-R984 WeakPolarHBondContact CD1-O 3.46Å; L982-V1000 HydrophobicContact CD2-CB 4.29Å; L982-V1000 HydrophobicContact CD2-CG1 4.21Å; L982-V1000 HydrophobicContact CD2-CG2 3.78Å; L982-V1000 HydrophobicContact CG-CB 4.1Å; L982-V1000 HydrophobicContact CG-CG1 4.35Å; L982-V1000 HydrophobicContact CG-CG2 3.87Å; L982-L1028 HydrophobicContact CD2-CD1 3.73Å; L982-L1056 HydrophobicContact CB-CB 4.33Å; L982-L1056 HydrophobicContact CD1-CB 4.43Å; L982-L1057 HydrophobicContact CD2-CD2 3.54Å; L982-L1057 HydrophobicContact CD2-CG 4.24Å
983	S	94.6	Very high	93.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	-18.1	179	54.5	0	0	0	0	114.8	E972 M973 F999 V1000 I1016	E972-S983 PolarHBondContact O-N 3.38Å; E972-S983 PolarHBondContact O-OG 2.95Å; M973-S983 WeakPolarHBondContact CA-OG 3.38Å; M973-S983 PolarHBondContact N-OG 3.38Å; S983-F999 CarbonylContact O-C 3.51Å; S983-F999 WeakPolarHBondContact O-CA 3.45Å; S983-V1000 PolarHBondContact O-N 3.12Å; S983-I1016 VanDerWaalsContact OG-CD1 3.28Å; S983-I1016 WeakPolarHBondContact OG-CD1 3.31Å
984	R	94.8	Very high	93.8	Very high	8 Å²	8	21 Å²	21	3%	0.03	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	149.9	163.6	-173.2	-173.3	177.4	-164.4	-1.1	110.2	C971 E972 L982 D997 T998 F999 I1016 D1103 T1104	C971-R984 CarbonylContact C-O 3.54Å; C971-R984 VanDerWaalsContact CA-O 3.31Å; C971-R984 WeakPolarHBondContact CA-O 3.48Å; E972-R984 HydrophobicContact CB-CB 4.04Å; E972-R984 HydrophobicContact CG-CB 4.42Å; E972-R984 PolarHBondContact N-O 3.43Å; E972-R984 PolarHBondContact O-N 3.01Å; L982-R984 WeakPolarHBondContact CD1-O 3.46Å; R984-D997 IonicContact CZ-OD1 3.75Å; R984-D997 IonicContact CZ-OD2 2.62Å; R984-D997 IonicContact NE-OD1 3.61Å; R984-D997 PolarHBondContact NE-OD1 3.43Å; R984-D997 IonicContact NE-OD2 3.16Å; R984-D997 IonicContact NH2-OD1 2.69Å; R984-D997 PolarHBondContact NH2-OD1 2.98Å; R984-D997 IonicContact NH2-OD2 3.61Å; R984-D997 PolarHBondContact NH2-OD2 2.67Å; R984-T998 CarbonylContact C-O 3.57Å; R984-T998 VanDerWaalsContact CA-O 3.28Å; R984-T998 WeakPolarHBondContact CA-O 3.4Å; R984-T998 VanDerWaalsContact CG-O 3.27Å; R984-T998 WeakPolarHBondContact CG-O 3.46Å; R984-F999 HydrophobicContact CB-CD1 4.01Å; R984-F999 HydrophobicContact CB-CE1 4.48Å; R984-F999 HydrophobicContact CG-CD1 4.05Å; R984-F999 HydrophobicContact CG-CE1 4.29Å; R984-I1016 HydrophobicContact CB-CD1 3.67Å; R984-D1103 IonicContact CZ-OD1 2.67Å; R984-D1103 IonicContact NH1-OD1 3.54Å; R984-D1103 PolarHBondContact NH1-OD1 3.28Å; R984-D1103 IonicContact NH2-OD1 2.66Å; R984-D1103 PolarHBondContact NH2-OD1 3.18Å; R984-T1104 PolarHBondContact NE-OG1 2.89Å; R984-T1104 PolarHBondContact NH1-OG1 2.88Å
985	V	96.4	Very high	93.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.7	167.4	58.5	0	0	0	0	109.8	L969 V987 Y996 D997 T998 V1000 V1031 L1057	L969-V985 HydrophobicContact CD1-CG2 4.36Å; L969-V985 HydrophobicContact CG-CG2 4.35Å; V985-V987 HydrophobicContact CG2-CG2 4.33Å; V985-Y996 HydrophobicContact CG1-CD1 4.38Å; V985-Y996 HydrophobicContact CG1-CE1 3.93Å; V985-D997 WeakPolarHBondContact O-CA 3.36Å; V985-T998 HydrophobicContact CG1-CG2 3.82Å; V985-T998 PolarHBondContact N-O 2.93Å; V985-T998 PolarHBondContact O-N 3.21Å; V985-V1000 HydrophobicContact CG1-CG2 4.32Å; V985-V1031 HydrophobicContact CG1-CG1 3.84Å; V985-L1057 HydrophobicContact CB-CD2 4.48Å; V985-L1057 HydrophobicContact CG2-CD2 4.26Å
986	T	96.8	Very high	93.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.7	170.8	-55.6	0	0	0	0	110.5	L969 D970 I988 V994 Y996 D997 T1104	L969-T986 WeakPolarHBondContact CA-O 3.49Å; D970-T986 PolarHBondContact N-O 3.02Å; D970-T986 PolarHBondContact O-N 2.87Å; T986-I988 HydrophobicContact CG2-CD1 4.42Å; T986-I988 HydrophobicContact CG2-CG1 4.15Å; T986-V994 HydrophobicContact CG2-CG1 4.02Å; T986-V994 HydrophobicContact CG2-CG2 4.43Å; T986-Y996 WeakPolarHBondContact CA-O 3.46Å; T986-D997 HydrophobicContact CG2-CB 4.14Å; T986-D997 PolarHBondContact OG1-OD1 2.91Å; T986-T1104 WeakPolarHBondContact OG1-CB 3.43Å; T986-T1104 PolarHBondContact OG1-OG1 3.04Å
987	V	96.9	Very high	93.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.3	178.5	-172.2	0	0	0	0	109.7	Y967 S968 L969 V985 V995 Y996 L1035 F1038	Y967-V987 HydrophobicContact CD1-CG1 4.47Å; Y967-V987 HydrophobicContact CG-CG1 4.16Å; S968-V987 CarbonylContact O-C 3Å; S968-V987 WeakPolarHBondContact O-CA 3.47Å; L969-V987 HydrophobicContact CD1-CG2 4.04Å; L969-V987 HydrophobicContact CG-CG2 4.37Å; V985-V987 HydrophobicContact CG2-CG2 4.33Å; V987-V995 PolarHBondContact O-N 3.11Å; V987-Y996 HydrophobicContact CG2-CD1 4.29Å; V987-Y996 PolarHBondContact N-O 3.41Å; V987-Y996 PolarHBondContact O-N 2.92Å; V987-L1035 HydrophobicContact CG2-CD2 3.83Å; V987-F1038 HydrophobicContact CG1-CE2 4.24Å; V987-F1038 HydrophobicContact CG1-CZ 4.23Å
988	I	94.4	Very high	93.7	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142	-172	-65.6	-169.6	0	0	0	110.3	Y967 S968 T986 Q993 V994 G1105 A1108 A1109	Y967-I988 CarbonylContact C-O 3.54Å; Y967-I988 VanDerWaalsContact CA-O 3.23Å; Y967-I988 WeakPolarHBondContact CA-O 3.34Å; S968-I988 PolarHBondContact N-O 3.16Å; S968-I988 PolarHBondContact O-N 3.31Å; T986-I988 HydrophobicContact CG2-CD1 4.42Å; T986-I988 HydrophobicContact CG2-CG1 4.15Å; I988-Q993 CarbonylContact C-O 3.6Å; I988-Q993 WeakPolarHBondContact CA-O 3.46Å; I988-V994 HydrophobicContact CD1-CG2 4.07Å; I988-V994 HydrophobicContact CG1-CG2 4.07Å; I988-G1105 WeakPolarHBondContact CD1-O 3.24Å; I988-A1108 HydrophobicContact CD1-CB 3.94Å; I988-A1108 HydrophobicContact CG1-CB 4.16Å; I988-A1109 HydrophobicContact CD1-CB 3.91Å
989	S	92.6	Very high	93.8	Very high	5 Å²	5	17.3 Å²	17.3	4%	0.035	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	160.1	175	62.2	0	0	0	0	113.2	S991 L992 Q993	S989-S991 PolarHBondContact O-N 3.23Å; S989-S991 VanDerWaalsContact O-N 3.16Å; S989-S991 PolarHBondContact OG-N 3.14Å; S989-S991 PolarHBondContact OG-OG 3.47Å; S989-L992 WeakPolarHBondContact O-CA 3.44Å; S989-L992 PolarHBondContact O-N 3.04Å; S989-Q993 PolarHBondContact N-O 3.08Å; S989-Q993 WeakPolarHBondContact OG-CB 3.36Å; S989-Q993 PolarHBondContact OG-N 2.98Å; S989-Q993 VanDerWaalsContact OG-N 3.07Å; S989-Q993 PolarHBondContact OG-O 2.87Å
990	S	91.4	Very high	93.9	Very high	11 Å²	11	17.4 Å²	17.4	8%	0.077	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-31.5	-48.7	152.8	51.2	0	0	0	0	114.3	D831 V966 L992	D831-S990 VanDerWaalsContact CG-OG 3.28Å; D831-S990 WeakPolarHBondContact OD1-CB 3.37Å; D831-S990 PolarHBondContact OD1-OG 3.03Å; D831-S990 VanDerWaalsContact OD2-CB 3.25Å; D831-S990 WeakPolarHBondContact OD2-CB 3.36Å; D831-S990 PolarHBondContact OD2-OG 3.37Å; V966-S990 PolarHBondContact O-N 2.92Å; S990-L992 PolarHBondContact O-N 3.08Å; S990-L992 VanDerWaalsContact O-N 3.15Å
991	S	89.1	Confident	93.8	Very high	42 Å²	42	21.7 Å²	21.7	29%	0.294	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	17	178.2	54.8	0	0	0	0	115.2	E828 S989 Q993	E828-S991 WeakPolarHBondContact OE2-CB 3.38Å; E828-S991 PolarHBondContact OE2-OG 2.91Å; S989-S991 PolarHBondContact O-N 3.23Å; S989-S991 VanDerWaalsContact O-N 3.16Å; S989-S991 PolarHBondContact OG-N 3.14Å; S989-S991 PolarHBondContact OG-OG 3.47Å; S991-Q993 PolarHBondContact O-N 2.97Å; S991-Q993 PolarHBondContact O-NE2 2.8Å
992	L	91	Very high	93.7	Very high	66 Å²	66	20.8 Å²	20.8	35%	0.346	11%	0.107	S	C	.	.	S	Bend	trans	55.3	30.7	178.4	-54.5	176.9	0	0	0	113.6	S989 S990 M1112 E1113	S989-L992 WeakPolarHBondContact O-CA 3.44Å; S989-L992 PolarHBondContact O-N 3.04Å; S990-L992 PolarHBondContact O-N 3.08Å; S990-L992 VanDerWaalsContact O-N 3.15Å; L992-M1112 HydrophobicContact CD2-CB 3.69Å; L992-M1112 HydrophobicContact CD2-CG 3.59Å; L992-E1113 HydrophobicContact CD1-CG 3.76Å; L992-E1113 HydrophobicContact CD2-CG 4.18Å
993	Q	90.4	Very high	93.5	Very high	101 Å²	101	26.2 Å²	26.2	47%	0.472	14%	0.136	S	C	.	.			trans	-101.7	132.2	175.9	-56.8	-50.9	-63.6	0	0	110.7	K825 I988 S989 S991 V995	K825-Q993 HydrophobicContact CD-CB 4.48Å; I988-Q993 CarbonylContact C-O 3.6Å; I988-Q993 WeakPolarHBondContact CA-O 3.46Å; S989-Q993 PolarHBondContact N-O 3.08Å; S989-Q993 WeakPolarHBondContact OG-CB 3.36Å; S989-Q993 PolarHBondContact OG-N 2.98Å; S989-Q993 VanDerWaalsContact OG-N 3.07Å; S989-Q993 PolarHBondContact OG-O 2.87Å; S991-Q993 PolarHBondContact O-N 2.97Å; S991-Q993 PolarHBondContact O-NE2 2.8Å; Q993-V995 PolarHBondContact O-N 3.07Å; Q993-V995 VanDerWaalsContact O-N 3.15Å
994	V	91.7	Very high	93.5	Very high	36 Å²	36	28.7 Å²	28.7	22%	0.218	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	118.2	170.3	-177.5	0	0	0	0	109.8	I819 K825 T986 I988 D997	I819-V994 HydrophobicContact CD1-CB 4.31Å; I819-V994 HydrophobicContact CD1-CG1 3.83Å; K825-V994 PolarHBondContact NZ-O 3.46Å; T986-V994 HydrophobicContact CG2-CG1 4.02Å; T986-V994 HydrophobicContact CG2-CG2 4.43Å; I988-V994 HydrophobicContact CD1-CG2 4.07Å; I988-V994 HydrophobicContact CG1-CG2 4.07Å; V994-D997 HydrophobicContact CG1-CB 3.8Å
995	V	92.4	Very high	93.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-38.3	179.5	168.8	0	0	0	0	110.5	F821 M826 Y967 V987 Q993 F1038	F821-V995 HydrophobicContact CD2-CG1 3.71Å; F821-V995 HydrophobicContact CE2-CG1 3.68Å; M826-V995 HydrophobicContact CE-CG1 3.61Å; M826-V995 HydrophobicContact CE-CG2 4.14Å; Y967-V995 HydrophobicContact CD1-CG2 4.43Å; Y967-V995 HydrophobicContact CE1-CG2 4.41Å; V987-V995 PolarHBondContact O-N 3.11Å; Q993-V995 PolarHBondContact O-N 3.07Å; Q993-V995 VanDerWaalsContact O-N 3.15Å; V995-F1038 HydrophobicContact CG1-CE2 4.23Å; V995-F1038 HydrophobicContact CG1-CZ 4.3Å
996	Y	95.3	Very high	93.3	Very high	11 Å²	11	35 Å²	35	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	137.6	-179.4	-178	-124	0	0	0	108.6	F821 V985 T986 V987 T998 V1031 T1034 L1035	F821-Y996 HydrophobicContact CB-CD2 4.13Å; V985-Y996 HydrophobicContact CG1-CD1 4.38Å; V985-Y996 HydrophobicContact CG1-CE1 3.93Å; T986-Y996 WeakPolarHBondContact CA-O 3.46Å; V987-Y996 HydrophobicContact CG2-CD1 4.29Å; V987-Y996 PolarHBondContact N-O 3.41Å; V987-Y996 PolarHBondContact O-N 2.92Å; Y996-T998 HydrophobicContact CE1-CG2 3.84Å; Y996-T998 HydrophobicContact CE2-CG2 4.21Å; Y996-T998 WeakPolarHBondContact OH-CG2 3.4Å; Y996-V1031 HydrophobicContact CE1-CG1 4.38Å; Y996-T1034 HydrophobicContact CD2-CG2 4.11Å; Y996-T1034 HydrophobicContact CE1-CG2 4.32Å; Y996-T1034 HydrophobicContact CE2-CG2 3.63Å; Y996-L1035 HydrophobicContact CD1-CD2 4.06Å; Y996-L1035 HydrophobicContact CE1-CD2 4.23Å
997	D	94.9	Very high	93.2	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	123	171.7	179.5	14.7	0	0	0	106.8	G817 N818 I819 R984 V985 T986 V994	G817-D997 CarbonylContact C-O 3.59Å; G817-D997 VanDerWaalsContact CA-CG 3.49Å; G817-D997 VanDerWaalsContact CA-OD2 3.31Å; G817-D997 WeakPolarHBondContact CA-OD2 3.41Å; G817-D997 PolarHBondContact N-OD2 2.77Å; N818-D997 CarbonylContact C-O 3.55Å; N818-D997 VanDerWaalsContact CA-O 3.24Å; N818-D997 WeakPolarHBondContact CA-O 3.22Å; N818-D997 PolarHBondContact N-O 2.96Å; I819-D997 HydrophobicContact CB-CB 4.04Å; I819-D997 HydrophobicContact CD1-CB 4.12Å; I819-D997 HydrophobicContact CG1-CB 4.22Å; I819-D997 PolarHBondContact N-O 3.07Å; I819-D997 PolarHBondContact O-N 3.45Å; R984-D997 IonicContact CZ-OD1 3.75Å; R984-D997 IonicContact CZ-OD2 2.62Å; R984-D997 IonicContact NE-OD1 3.61Å; R984-D997 PolarHBondContact NE-OD1 3.43Å; R984-D997 IonicContact NE-OD2 3.16Å; R984-D997 IonicContact NH2-OD1 2.69Å; R984-D997 PolarHBondContact NH2-OD1 2.98Å; R984-D997 IonicContact NH2-OD2 3.61Å; R984-D997 PolarHBondContact NH2-OD2 2.67Å; V985-D997 WeakPolarHBondContact O-CA 3.36Å; T986-D997 HydrophobicContact CG2-CB 4.14Å; T986-D997 PolarHBondContact OG1-OD1 2.91Å; V994-D997 HydrophobicContact CG1-CB 3.8Å
998	T	94.1	Very high	93.1	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.2	177.5	-168.3	0	0	0	0	110.8	N818 R984 V985 Y996 V1000 N1024 V1031	N818-T998 PolarHBondContact OD1-OG1 2.86Å; R984-T998 CarbonylContact C-O 3.57Å; R984-T998 VanDerWaalsContact CA-O 3.28Å; R984-T998 WeakPolarHBondContact CA-O 3.4Å; R984-T998 VanDerWaalsContact CG-O 3.27Å; R984-T998 WeakPolarHBondContact CG-O 3.46Å; V985-T998 HydrophobicContact CG1-CG2 3.82Å; V985-T998 PolarHBondContact N-O 2.93Å; V985-T998 PolarHBondContact O-N 3.21Å; Y996-T998 HydrophobicContact CE1-CG2 3.84Å; Y996-T998 HydrophobicContact CE2-CG2 4.21Å; Y996-T998 WeakPolarHBondContact OH-CG2 3.4Å; T998-V1000 HydrophobicContact CG2-CG2 4.32Å; T998-N1024 PolarHBondContact OG1-ND2 3.2Å; T998-V1031 HydrophobicContact CG2-CG2 3.93Å
999	F	94.4	Very high	93	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	154.3	158.3	-61.7	-71.8	0	0	0	109	K816 N818 S983 R984 I1016 D1020 N1024	K816-F999 VanDerWaalsContact O-CE2 3.29Å; K816-F999 WeakPolarHBondContact O-CE2 3.31Å; N818-F999 PolarHBondContact OD1-N 2.77Å; S983-F999 CarbonylContact O-C 3.51Å; S983-F999 WeakPolarHBondContact O-CA 3.45Å; R984-F999 HydrophobicContact CB-CD1 4.01Å; R984-F999 HydrophobicContact CB-CE1 4.48Å; R984-F999 HydrophobicContact CG-CD1 4.05Å; R984-F999 HydrophobicContact CG-CE1 4.29Å; F999-I1016 HydrophobicContact CD1-CD1 4.35Å; F999-I1016 HydrophobicContact CD1-CG1 4.44Å; F999-I1016 HydrophobicContact CE1-CD1 4.46Å; F999-I1016 HydrophobicContact CE1-CG1 4.12Å; F999-D1020 HydrophobicContact CD1-CB 3.93Å; F999-D1020 HydrophobicContact CD2-CB 4.23Å; F999-D1020 HydrophobicContact CE1-CB 3.68Å; F999-D1020 HydrophobicContact CE2-CB 3.99Å; F999-D1020 HydrophobicContact CG-CB 4.19Å; F999-D1020 HydrophobicContact CZ-CB 3.7Å; F999-N1024 HydrophobicContact CB-CB 4.08Å; F999-N1024 PolarHBondContact O-ND2 2.86Å
1000	V	94.2	Very high	93	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.203	C	C	.	.			trans	-123.4	134.9	177	-171.5	0	0	0	0	107.2	L982 S983 V985 T998 P1002 L1028 V1031	L982-V1000 HydrophobicContact CD2-CB 4.29Å; L982-V1000 HydrophobicContact CD2-CG1 4.21Å; L982-V1000 HydrophobicContact CD2-CG2 3.78Å; L982-V1000 HydrophobicContact CG-CB 4.1Å; L982-V1000 HydrophobicContact CG-CG1 4.35Å; L982-V1000 HydrophobicContact CG-CG2 3.87Å; S983-V1000 PolarHBondContact O-N 3.12Å; V985-V1000 HydrophobicContact CG1-CG2 4.32Å; T998-V1000 HydrophobicContact CG2-CG2 4.32Å; V1000-P1002 WeakPolarHBondContact O-CD 2.86Å; V1000-L1028 HydrophobicContact CG1-CB 4.44Å; V1000-V1031 HydrophobicContact CG1-CG2 4.29Å; V1000-V1031 HydrophobicContact CG2-CG2 3.72Å
1001	K	93.5	Very high	92.9	Very high	112 Å²	112	41.9 Å²	41.9	49%	0.487	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-84.6	118	173.5	-177.1	-172.1	168.8	-164.8	0	108.5	T1026	K1001-T1026 PolarHBondContact N-O 3.38Å
1002	P	93.6	Very high	92.8	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.091	22%	0.223	C	C	.	.			trans	-63.5	148.1	173.6	-21.2	34.2	0	0	0	111.5	C974 T976 E981 V1000 N1004 V1006 V1021	C974-P1002 VanDerWaalsContact SG-CG 3.51Å; T976-P1002 HydrophobicContact CG2-CB 4.05Å; E981-P1002 HydrophobicContact CB-CB 4.09Å; V1000-P1002 WeakPolarHBondContact O-CD 2.86Å; P1002-N1004 VanDerWaalsContact C-N 3.33Å; P1002-V1006 HydrophobicContact CB-CG2 4.28Å; P1002-V1006 HydrophobicContact CG-CG2 3.87Å; P1002-V1021 VanDerWaalsContact CD-CG1 3.47Å; P1002-V1021 HydrophobicContact CG-CG1 4.43Å
1003	D	91.7	Very high	92.6	Very high	119 Å²	119	45.6 Å²	45.6	64%	0.636	22%	0.222	S	C	*	.	S	Bend	trans	-73.5	-28.3	177.5	-69.5	-40.3	0	0	0	111.8
1004	N	93.4	Very high	92.6	Very high	53 Å²	53	40.9 Å²	40.9	28%	0.283	20%	0.2	S	C	.	.	S	Bend	trans	-105	164.5	-178.7	-64.4	-87.3	0	0	0	113.3	V977 Q978 E981 P1002 V1006	V977-N1004 HydrophobicContact CG2-CB 3.95Å; Q978-N1004 HydrophobicContact CG-CB 4.27Å; Q978-N1004 VanDerWaalsContact CG-CG 3.48Å; Q978-N1004 VanDerWaalsContact CG-OD1 3.28Å; Q978-N1004 WeakPolarHBondContact CG-OD1 3.21Å; E981-N1004 PolarHBondContact OE1-ND2 3.29Å; E981-N1004 WeakPolarHBondContact OE2-CB 3.26Å; E981-N1004 PolarHBondContact OE2-N 2.73Å; P1002-N1004 VanDerWaalsContact C-N 3.33Å; N1004-V1006 PolarHBondContact O-N 3.49Å
1005	E	93.1	Very high	92.4	Very high	109 Å²	109	40.3 Å²	40.3	51%	0.509	20%	0.202	S	C	.	.			trans	-65	119.5	179.1	-177.4	179.3	-151.1	0	0	111.4	K895 T976 V977	K895-E1005 IonicContact NZ-OE1 2.59Å; K895-E1005 IonicContact NZ-OE2 3.58Å; K895-E1005 PolarHBondContact NZ-OE2 2.89Å; T976-E1005 CarbonylContact C-O 3.56Å; T976-E1005 VanDerWaalsContact CA-O 3.24Å; T976-E1005 WeakPolarHBondContact CA-O 3.49Å; T976-E1005 VanDerWaalsContact CB-O 3.3Å; T976-E1005 WeakPolarHBondContact CB-O 3.23Å; V977-E1005 HydrophobicContact CG1-CB 4.22Å; V977-E1005 HydrophobicContact CG2-CB 4.11Å; V977-E1005 PolarHBondContact N-O 3.47Å
1006	V	94.6	Very high	92.3	Very high	32 Å²	32	40.4 Å²	40.4	19%	0.194	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.3	-179.9	-172.9	0	0	0	0	110.7	C974 T976 P1002 N1004 Y1009	C974-V1006 HydrophobicContact CB-CG1 4.11Å; T976-V1006 HydrophobicContact CG2-CB 4.41Å; T976-V1006 HydrophobicContact CG2-CG2 4Å; P1002-V1006 HydrophobicContact CB-CG2 4.28Å; P1002-V1006 HydrophobicContact CG-CG2 3.87Å; N1004-V1006 PolarHBondContact O-N 3.49Å; V1006-Y1009 HydrophobicContact CB-CE1 4.07Å; V1006-Y1009 HydrophobicContact CB-CE2 4.26Å; V1006-Y1009 HydrophobicContact CG1-CD1 3.89Å; V1006-Y1009 HydrophobicContact CG1-CD2 4.06Å; V1006-Y1009 HydrophobicContact CG1-CE1 3.75Å; V1006-Y1009 HydrophobicContact CG1-CE2 3.93Å; V1006-Y1009 HydrophobicContact CG1-CG 4.04Å; V1006-Y1009 HydrophobicContact CG2-CE1 3.93Å
1007	I	94.5	Very high	91.9	Very high	26 Å²	26	41.4 Å²	41.4	13%	0.133	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-43.6	173.6	-62	161.4	0	0	0	110.3	F937 L939 V941 Y975 T976 V977	F937-I1007 HydrophobicContact CE1-CG2 3.88Å; F937-I1007 WeakPolarHBondContact CZ-O 3.43Å; L939-I1007 HydrophobicContact CB-CG2 3.94Å; L939-I1007 HydrophobicContact CD1-CG2 4Å; V941-I1007 HydrophobicContact CG1-CB 4.16Å; V941-I1007 HydrophobicContact CG1-CD1 4.27Å; V941-I1007 HydrophobicContact CG1-CG2 3.58Å; Y975-I1007 PolarHBondContact O-N 3.01Å; T976-I1007 VanDerWaalsContact C-CD1 3.46Å; T976-I1007 WeakPolarHBondContact O-CD1 3.06Å; V977-I1007 HydrophobicContact CG1-CD1 4.21Å; V977-I1007 HydrophobicContact CG1-CG1 4.1Å
1008	D	94.3	Very high	91.7	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	118.5	-178.4	-169.9	-17	0	0	0	110.7	R883 F937 Y975 N1010	R883-D1008 IonicContact CZ-OD2 3.38Å; R883-D1008 IonicContact NH1-OD2 2.71Å; R883-D1008 PolarHBondContact NH1-OD2 3.25Å; R883-D1008 IonicContact NH2-OD2 2.96Å; R883-D1008 PolarHBondContact NH2-OD2 2.94Å; F937-D1008 HydrophobicContact CE1-CB 4.01Å; F937-D1008 HydrophobicContact CE2-CB 4.28Å; F937-D1008 WeakPolarHBondContact CE2-OD2 3.13Å; F937-D1008 HydrophobicContact CZ-CB 3.65Å; Y975-D1008 PolarHBondContact N-O 3.48Å; Y975-D1008 PolarHBondContact O-N 3.31Å; Y975-D1008 VanDerWaalsContact O-N 3.1Å; D1008-N1010 PolarHBondContact O-N 2.85Å; D1008-N1010 VanDerWaalsContact O-N 3.09Å; D1008-N1010 WeakPolarHBondContact OD1-CA 3.32Å; D1008-N1010 PolarHBondContact OD1-N 2.97Å
1009	Y	92.9	Very high	91.3	Very high	31 Å²	31	51.4 Å²	51.4	12%	0.122	26%	0.257	C	S	.	.			trans	-64.1	-8.3	175.1	-69.3	-78.5	0	0	0	113.9	V1006 T1011 S1014 I1016 E1018 V1021	V1006-Y1009 HydrophobicContact CB-CE1 4.07Å; V1006-Y1009 HydrophobicContact CB-CE2 4.26Å; V1006-Y1009 HydrophobicContact CG1-CD1 3.89Å; V1006-Y1009 HydrophobicContact CG1-CD2 4.06Å; V1006-Y1009 HydrophobicContact CG1-CE1 3.75Å; V1006-Y1009 HydrophobicContact CG1-CE2 3.93Å; V1006-Y1009 HydrophobicContact CG1-CG 4.04Å; V1006-Y1009 HydrophobicContact CG2-CE1 3.93Å; Y1009-T1011 PolarHBondContact O-N 3.06Å; Y1009-S1014 PolarHBondContact O-OG 3.19Å; Y1009-I1016 HydrophobicContact CD1-CG2 4.23Å; Y1009-E1018 HydrophobicContact CD2-CB 3.91Å; Y1009-E1018 HydrophobicContact CD2-CG 4.39Å; Y1009-E1018 HydrophobicContact CE2-CB 3.54Å; Y1009-E1018 HydrophobicContact CE2-CG 3.54Å; Y1009-V1021 HydrophobicContact CD1-CB 4.33Å; Y1009-V1021 HydrophobicContact CD1-CG2 3.87Å; Y1009-V1021 HydrophobicContact CE1-CB 3.65Å; Y1009-V1021 HydrophobicContact CE1-CG1 3.99Å; Y1009-V1021 HydrophobicContact CE1-CG2 3.7Å
1010	N	92.2	Very high	90.9	Very high	21 Å²	21	53.6 Å²	53.6	11%	0.112	27%	0.269	C	S	.	.			trans	64	20.9	178.1	-157.4	43	0	0	0	113.5	R883 Y975 D1008 R1012 F1013 S1014	R883-N1010 PolarHBondContact NH2-OD1 2.99Å; Y975-N1010 HydrophobicContact CD2-CB 4.3Å; Y975-N1010 HydrophobicContact CE2-CB 4.31Å; D1008-N1010 PolarHBondContact O-N 2.85Å; D1008-N1010 VanDerWaalsContact O-N 3.09Å; D1008-N1010 WeakPolarHBondContact OD1-CA 3.32Å; D1008-N1010 PolarHBondContact OD1-N 2.97Å; N1010-R1012 PolarHBondContact O-N 3.47Å; N1010-F1013 PolarHBondContact O-N 3.42Å; N1010-S1014 PolarHBondContact O-N 2.82Å; N1010-S1014 PolarHBondContact O-OG 3.24Å
1011	T	90.5	Very high	90.4	Very high	60 Å²	60	53.7 Å²	53.7	37%	0.368	27%	0.27	S	S	.	.	H	α-helix	trans	-49.3	-29.1	-166.1	-45.1	0	0	0	0	115.8	Y1009 F1013 S1014 G1015 I1016	Y1009-T1011 PolarHBondContact O-N 3.06Å; T1011-F1013 PolarHBondContact O-N 2.66Å; T1011-S1014 WeakPolarHBondContact CA-OG 3.35Å; T1011-S1014 PolarHBondContact N-OG 3.43Å; T1011-G1015 WeakPolarHBondContact O-CA 3.43Å; T1011-G1015 PolarHBondContact O-N 2.95Å; T1011-I1016 VanDerWaalsContact CB-O 3.3Å; T1011-I1016 WeakPolarHBondContact CB-O 3.33Å; T1011-I1016 WeakPolarHBondContact CG2-O 3.27Å; T1011-I1016 PolarHBondContact OG1-O 3.4Å
1012	R	86.1	Confident	89.8	Confident	112 Å²	112	54.3 Å²	54.3	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-54.6	-37.3	172.4	174.9	-171.5	-74.5	-75.9	8	111.9	Y906 N1010 G1101	Y906-R1012 VanDerWaalsContact CE1-CZ 3.44Å; N1010-R1012 PolarHBondContact O-N 3.47Å; R1012-G1101 WeakPolarHBondContact O-CA 3.5Å
1013	F	88	Confident	88.8	Confident	74 Å²	74	56.6 Å²	56.6	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-103.5	-46.7	-178.3	-58.1	-76.9	0	0	0	110.4	Y906 N1010 T1011 G1101 H1102	Y906-F1013 HydrophobicContact CD2-CZ 4.21Å; N1010-F1013 PolarHBondContact O-N 3.42Å; T1011-F1013 PolarHBondContact O-N 2.66Å; F1013-G1101 CarbonylContact O-C 3.6Å; F1013-G1101 VanDerWaalsContact O-CA 3.31Å; F1013-G1101 WeakPolarHBondContact O-CA 3.44Å; F1013-H1102 WeakPolarHBondContact O-CB 3.45Å; F1013-H1102 PolarHBondContact O-CD2 3.25Å; F1013-H1102 VanDerWaalsContact O-CG 3.25Å; F1013-H1102 PolarHBondContact O-N 2.89Å
1014	S	89.5	Confident	88.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-82.5	-19.3	-172.8	60.4	0	0	0	0	116.2	E972 Y1009 N1010 T1011 I1016	E972-S1014 WeakPolarHBondContact OE2-CA 3.44Å; E972-S1014 WeakPolarHBondContact OE2-CB 3.25Å; Y1009-S1014 PolarHBondContact O-OG 3.19Å; N1010-S1014 PolarHBondContact O-N 2.82Å; N1010-S1014 PolarHBondContact O-OG 3.24Å; T1011-S1014 WeakPolarHBondContact CA-OG 3.35Å; T1011-S1014 PolarHBondContact N-OG 3.43Å; S1014-I1016 PolarHBondContact O-N 3.5Å; S1014-I1016 PolarHBondContact OG-N 3.37Å
1015	G	87.8	Confident	87.5	Confident	24 Å²	24	56.1 Å²	56.1	25%	0.247	29%	0.291	C	S	.	.			trans	66.7	4.2	-174.5	0	0	0	0	0	115	T1011 C1100	T1011-G1015 WeakPolarHBondContact O-CA 3.43Å; T1011-G1015 PolarHBondContact O-N 2.95Å; G1015-C1100 WeakPolarHBondContact CA-O 3.49Å
1016	I	89.4	Confident	87.5	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.275	C	S	.	.			trans	-84.9	128.8	-179	-69.4	179.7	0	0	0	110.6	E972 S983 R984 F999 Y1009 T1011 S1014 D1020 V1021	E972-I1016 HydrophobicContact CB-CD1 3.4Å; E972-I1016 HydrophobicContact CB-CG1 4.34Å; E972-I1016 HydrophobicContact CG-CD1 3.93Å; E972-I1016 HydrophobicContact CG-CG1 4.42Å; S983-I1016 VanDerWaalsContact OG-CD1 3.28Å; S983-I1016 WeakPolarHBondContact OG-CD1 3.31Å; R984-I1016 HydrophobicContact CB-CD1 3.67Å; F999-I1016 HydrophobicContact CD1-CD1 4.35Å; F999-I1016 HydrophobicContact CD1-CG1 4.44Å; F999-I1016 HydrophobicContact CE1-CD1 4.46Å; F999-I1016 HydrophobicContact CE1-CG1 4.12Å; Y1009-I1016 HydrophobicContact CD1-CG2 4.23Å; T1011-I1016 VanDerWaalsContact CB-O 3.3Å; T1011-I1016 WeakPolarHBondContact CB-O 3.33Å; T1011-I1016 WeakPolarHBondContact CG2-O 3.27Å; T1011-I1016 PolarHBondContact OG1-O 3.4Å; S1014-I1016 PolarHBondContact O-N 3.5Å; S1014-I1016 PolarHBondContact OG-N 3.37Å; I1016-D1020 HydrophobicContact CG2-CB 4.4Å; I1016-V1021 HydrophobicContact CG2-CG2 3.45Å; I1016-V1021 VanDerWaalsContact CG2-CG2 3.45Å
1017	S	87.9	Confident	87.5	Confident	33 Å²	33	52.4 Å²	52.4	23%	0.231	28%	0.277	C	S	.	.			trans	-88.3	165.8	172.3	70.1	0	0	0	0	112.3	E1019 D1020	S1017-E1019 WeakPolarHBondContact CB-OE2 3.4Å; S1017-E1019 PolarHBondContact O-N 3.45Å; S1017-D1020 WeakPolarHBondContact CB-OD2 3.39Å; S1017-D1020 PolarHBondContact N-OD2 2.86Å; S1017-D1020 PolarHBondContact O-N 3.37Å; S1017-D1020 PolarHBondContact OG-N 2.8Å; S1017-D1020 VanDerWaalsContact OG-N 3.1Å; S1017-D1020 PolarHBondContact OG-OD2 3.05Å
1018	E	89.3	Confident	87.6	Confident	89 Å²	89	52.1 Å²	52.1	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-67.3	-30.7	173.9	178.2	166.2	-144.1	0	0	110.8	Y1009 K1022	Y1009-E1018 HydrophobicContact CD2-CB 3.91Å; Y1009-E1018 HydrophobicContact CD2-CG 4.39Å; Y1009-E1018 HydrophobicContact CE2-CB 3.54Å; Y1009-E1018 HydrophobicContact CE2-CG 3.54Å; E1018-K1022 HydrophobicContact CG-CD 3.83Å; E1018-K1022 HydrophobicContact CG-CG 4.4Å; E1018-K1022 WeakPolarHBondContact O-CB 3.26Å; E1018-K1022 VanDerWaalsContact O-CG 3.31Å; E1018-K1022 WeakPolarHBondContact O-CG 3.46Å; E1018-K1022 PolarHBondContact O-N 2.87Å; E1018-K1022 WeakPolarHBondContact OE1-CE 3.35Å; E1018-K1022 IonicContact OE1-NZ 3.26Å; E1018-K1022 PolarHBondContact OE1-NZ 3.37Å; E1018-K1022 IonicContact OE2-NZ 2.73Å
1019	E	87	Confident	87.6	Confident	135 Å²	135	57.2 Å²	57.2	63%	0.631	30%	0.297	S	S	*	.	H	α-helix	trans	-67	-41.3	176.6	-65.1	77.7	-177.3	0	0	112.7	S1017 V1021 G1023	S1017-E1019 WeakPolarHBondContact CB-OE2 3.4Å; S1017-E1019 PolarHBondContact O-N 3.45Å; E1019-V1021 VanDerWaalsContact C-N 3.33Å; E1019-V1021 PolarHBondContact O-N 3.22Å; E1019-G1023 WeakPolarHBondContact O-CA 3.49Å; E1019-G1023 PolarHBondContact O-N 2.84Å
1020	D	86.1	Confident	87.8	Confident	52 Å²	52	60.4 Å²	60.4	28%	0.278	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-43.8	178.5	-65.4	-53.2	0	0	0	111.6	F999 I1016 S1017 N1024	F999-D1020 HydrophobicContact CD1-CB 3.93Å; F999-D1020 HydrophobicContact CD2-CB 4.23Å; F999-D1020 HydrophobicContact CE1-CB 3.68Å; F999-D1020 HydrophobicContact CE2-CB 3.99Å; F999-D1020 HydrophobicContact CG-CB 4.19Å; F999-D1020 HydrophobicContact CZ-CB 3.7Å; I1016-D1020 HydrophobicContact CG2-CB 4.4Å; S1017-D1020 WeakPolarHBondContact CB-OD2 3.39Å; S1017-D1020 PolarHBondContact N-OD2 2.86Å; S1017-D1020 PolarHBondContact O-N 3.37Å; S1017-D1020 PolarHBondContact OG-N 2.8Å; S1017-D1020 VanDerWaalsContact OG-N 3.1Å; S1017-D1020 PolarHBondContact OG-OD2 3.05Å; D1020-N1024 PolarHBondContact O-N 3.44Å
1021	V	83.5	Confident	88	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-80.8	-38	-176.8	-178	0	0	0	0	112.1	P1002 Y1009 I1016 E1019 G1023	P1002-V1021 VanDerWaalsContact CD-CG1 3.47Å; P1002-V1021 HydrophobicContact CG-CG1 4.43Å; Y1009-V1021 HydrophobicContact CD1-CB 4.33Å; Y1009-V1021 HydrophobicContact CD1-CG2 3.87Å; Y1009-V1021 HydrophobicContact CE1-CB 3.65Å; Y1009-V1021 HydrophobicContact CE1-CG1 3.99Å; Y1009-V1021 HydrophobicContact CE1-CG2 3.7Å; I1016-V1021 HydrophobicContact CG2-CG2 3.45Å; I1016-V1021 VanDerWaalsContact CG2-CG2 3.45Å; E1019-V1021 VanDerWaalsContact C-N 3.33Å; E1019-V1021 PolarHBondContact O-N 3.22Å; V1021-G1023 VanDerWaalsContact C-N 3.33Å
1022	K	80.6	Confident	88.3	Confident	125 Å²	125	57.3 Å²	57.3	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-70.4	-31	174	-73.5	179.7	-175.2	170.8	0	112.6	E1018	E1018-K1022 HydrophobicContact CG-CD 3.83Å; E1018-K1022 HydrophobicContact CG-CG 4.4Å; E1018-K1022 WeakPolarHBondContact O-CB 3.26Å; E1018-K1022 VanDerWaalsContact O-CG 3.31Å; E1018-K1022 WeakPolarHBondContact O-CG 3.46Å; E1018-K1022 PolarHBondContact O-N 2.87Å; E1018-K1022 WeakPolarHBondContact OE1-CE 3.35Å; E1018-K1022 IonicContact OE1-NZ 3.26Å; E1018-K1022 PolarHBondContact OE1-NZ 3.37Å; E1018-K1022 IonicContact OE2-NZ 2.73Å
1023	G	72.9	Confident	88.7	Confident	62 Å²	62	56.1 Å²	56.1	64%	0.639	30%	0.296	S	S	*	.	H	α-helix	trans	-75.4	-20.4	178.5	0	0	0	0	0	114	E1019 V1021	E1019-G1023 WeakPolarHBondContact O-CA 3.49Å; E1019-G1023 PolarHBondContact O-N 2.84Å; V1021-G1023 VanDerWaalsContact C-N 3.33Å
1024	N	77.9	Confident	89.1	Confident	20 Å²	20	54.5 Å²	54.5	11%	0.107	29%	0.292	C	S	.	.			trans	-100.8	156.1	173	-159.1	17	0	0	0	112.9	N818 T998 F999 D1020 T1026	N818-N1024 PolarHBondContact OD1-ND2 3.28Å; T998-N1024 PolarHBondContact OG1-ND2 3.2Å; F999-N1024 HydrophobicContact CB-CB 4.08Å; F999-N1024 PolarHBondContact O-ND2 2.86Å; D1020-N1024 PolarHBondContact O-N 3.44Å; N1024-T1026 WeakPolarHBondContact ND2-CB 3.19Å; N1024-T1026 PolarHBondContact ND2-OG1 2.85Å; N1024-T1026 PolarHBondContact OD1-OG1 2.71Å
1025	H	80.4	Confident	89.4	Confident	142 Å²	142	54.5 Å²	54.5	66%	0.657	29%	0.292	S	S	*	.			trans	-124.5	-4	-179.1	-61.6	-13.3	0	0	0	113.4	S1027	H1025-S1027 PolarHBondContact O-N 3.37Å
1026	T	92.4	Very high	89.8	Confident	29 Å²	29	56.1 Å²	56.1	18%	0.178	30%	0.295	C	S	.	.			trans	-57.8	118.3	176.1	-45.6	0	0	0	0	111.2	K1001 N1024 E1030 V1031	K1001-T1026 PolarHBondContact N-O 3.38Å; N1024-T1026 WeakPolarHBondContact ND2-CB 3.19Å; N1024-T1026 PolarHBondContact ND2-OG1 2.85Å; N1024-T1026 PolarHBondContact OD1-OG1 2.71Å; T1026-E1030 HydrophobicContact CG2-CB 4Å; T1026-V1031 HydrophobicContact CG2-CG2 3.92Å
1027	S	94.8	Very high	90	Very high	34 Å²	34	59.4 Å²	59.4	24%	0.238	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-79.2	159.6	174.6	62.6	0	0	0	0	112.1	H1025 K1029 E1030 V1031	H1025-S1027 PolarHBondContact O-N 3.37Å; S1027-K1029 PolarHBondContact O-N 3.24Å; S1027-E1030 WeakPolarHBondContact CB-OE2 3.42Å; S1027-E1030 PolarHBondContact N-OE2 3.29Å; S1027-E1030 PolarHBondContact O-N 3.08Å; S1027-E1030 VanDerWaalsContact O-N 3.16Å; S1027-E1030 WeakPolarHBondContact OG-CG 3.34Å; S1027-E1030 PolarHBondContact OG-N 3.43Å; S1027-E1030 PolarHBondContact OG-OE2 3.1Å; S1027-V1031 PolarHBondContact O-N 2.67Å
1028	L	95.8	Very high	90.1	Very high	20 Å²	20	59 Å²	59	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-54.9	-36.2	172.2	176.3	61	0	0	0	111.9	L982 V1000 V1031 Q1032 K1058	L982-L1028 HydrophobicContact CD2-CD1 3.73Å; V1000-L1028 HydrophobicContact CG1-CB 4.44Å; L1028-V1031 WeakPolarHBondContact O-CB 3.37Å; L1028-V1031 PolarHBondContact O-N 2.72Å; L1028-Q1032 WeakPolarHBondContact O-CG 3.39Å; L1028-Q1032 PolarHBondContact O-N 3.04Å; L1028-K1058 HydrophobicContact CD2-CD 3.96Å; L1028-K1058 HydrophobicContact CD2-CG 4.22Å
1029	K	95.4	Very high	90.4	Very high	130 Å²	130	55 Å²	55	57%	0.565	29%	0.293	S	S	*	.	H	α-helix	trans	-66	-43.5	177.8	-172.8	-177.8	173.2	-172.1	0	112.5	S1027 V1031 Q1032 D1033	S1027-K1029 PolarHBondContact O-N 3.24Å; K1029-V1031 PolarHBondContact O-N 3.43Å; K1029-Q1032 WeakPolarHBondContact O-CB 3.49Å; K1029-Q1032 PolarHBondContact O-N 3.29Å; K1029-Q1032 VanDerWaalsContact O-N 3.13Å; K1029-D1033 WeakPolarHBondContact CE-OD2 3.22Å; K1029-D1033 WeakPolarHBondContact O-CB 3.33Å; K1029-D1033 PolarHBondContact O-N 3.18Å
1030	E	95.4	Very high	90.8	Very high	98 Å²	98	49.3 Å²	49.3	46%	0.458	27%	0.268	S	S	.	.	H	α-helix	trans	-65.4	-30.1	177.7	-70.6	159.7	126.8	0	0	111.9	T1026 S1027 T1034	T1026-E1030 HydrophobicContact CG2-CB 4Å; S1027-E1030 WeakPolarHBondContact CB-OE2 3.42Å; S1027-E1030 PolarHBondContact N-OE2 3.29Å; S1027-E1030 PolarHBondContact O-N 3.08Å; S1027-E1030 VanDerWaalsContact O-N 3.16Å; S1027-E1030 WeakPolarHBondContact OG-CG 3.34Å; S1027-E1030 PolarHBondContact OG-N 3.43Å; S1027-E1030 PolarHBondContact OG-OE2 3.1Å; E1030-T1034 VanDerWaalsContact O-CB 3.27Å; E1030-T1034 WeakPolarHBondContact O-CB 3.46Å; E1030-T1034 PolarHBondContact O-N 3.06Å; E1030-T1034 PolarHBondContact O-OG1 3.11Å
1031	V	96.3	Very high	91.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-51.3	168.3	173.8	0	0	0	0	110.8	V985 Y996 T998 V1000 T1026 S1027 L1028 K1029 T1034 L1035 L1057	V985-V1031 HydrophobicContact CG1-CG1 3.84Å; Y996-V1031 HydrophobicContact CE1-CG1 4.38Å; T998-V1031 HydrophobicContact CG2-CG2 3.93Å; V1000-V1031 HydrophobicContact CG1-CG2 4.29Å; V1000-V1031 HydrophobicContact CG2-CG2 3.72Å; T1026-V1031 HydrophobicContact CG2-CG2 3.92Å; S1027-V1031 PolarHBondContact O-N 2.67Å; L1028-V1031 WeakPolarHBondContact O-CB 3.37Å; L1028-V1031 PolarHBondContact O-N 2.72Å; K1029-V1031 PolarHBondContact O-N 3.43Å; V1031-T1034 PolarHBondContact O-N 3.13Å; V1031-L1035 HydrophobicContact CG1-CD1 3.79Å; V1031-L1035 HydrophobicContact CG1-CG 4.23Å; V1031-L1035 WeakPolarHBondContact O-CB 3.42Å; V1031-L1035 VanDerWaalsContact O-CG 3.31Å; V1031-L1035 WeakPolarHBondContact O-CG 3.23Å; V1031-L1035 PolarHBondContact O-N 3.46Å; V1031-L1057 HydrophobicContact CG1-CD2 3.83Å
1032	Q	96.9	Very high	91.7	Very high	16 Å²	16	50.9 Å²	50.9	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-51.5	177.1	-72.5	173.2	-26	0	0	112	V951 L1028 K1029 T1034 L1035 L1036 L1057 K1058	V951-Q1032 HydrophobicContact CG2-CB 4.13Å; V951-Q1032 HydrophobicContact CG2-CG 3.94Å; L1028-Q1032 WeakPolarHBondContact O-CG 3.39Å; L1028-Q1032 PolarHBondContact O-N 3.04Å; K1029-Q1032 WeakPolarHBondContact O-CB 3.49Å; K1029-Q1032 PolarHBondContact O-N 3.29Å; K1029-Q1032 VanDerWaalsContact O-N 3.13Å; Q1032-T1034 VanDerWaalsContact C-N 3.25Å; Q1032-T1034 PolarHBondContact O-N 2.84Å; Q1032-L1035 PolarHBondContact O-N 3.35Å; Q1032-L1036 WeakPolarHBondContact O-CB 3.25Å; Q1032-L1036 VanDerWaalsContact O-CG 3.27Å; Q1032-L1036 WeakPolarHBondContact O-CG 3.33Å; Q1032-L1036 PolarHBondContact O-N 2.92Å; Q1032-L1057 PolarHBondContact NE2-O 2.61Å; Q1032-K1058 PolarHBondContact NE2-O 3.31Å
1033	D	96.1	Very high	92.4	Very high	88 Å²	88	44.9 Å²	44.9	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-36.4	177.6	-71.3	-26.5	0	0	0	111.3	K1029 S1037	K1029-D1033 WeakPolarHBondContact CE-OD2 3.22Å; K1029-D1033 WeakPolarHBondContact O-CB 3.33Å; K1029-D1033 PolarHBondContact O-N 3.18Å; D1033-S1037 PolarHBondContact O-N 2.67Å
1034	T	95.8	Very high	93.5	Very high	39 Å²	39	42 Å²	42	24%	0.239	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-46.2	175.4	-59.3	0	0	0	0	112.1	F821 Y996 E1030 V1031 Q1032 S1037 F1038	F821-T1034 HydrophobicContact CB-CG2 3.8Å; F821-T1034 HydrophobicContact CG-CG2 4.4Å; Y996-T1034 HydrophobicContact CD2-CG2 4.11Å; Y996-T1034 HydrophobicContact CE1-CG2 4.32Å; Y996-T1034 HydrophobicContact CE2-CG2 3.63Å; E1030-T1034 VanDerWaalsContact O-CB 3.27Å; E1030-T1034 WeakPolarHBondContact O-CB 3.46Å; E1030-T1034 PolarHBondContact O-N 3.06Å; E1030-T1034 PolarHBondContact O-OG1 3.11Å; V1031-T1034 PolarHBondContact O-N 3.13Å; Q1032-T1034 VanDerWaalsContact C-N 3.25Å; Q1032-T1034 PolarHBondContact O-N 2.84Å; T1034-S1037 WeakPolarHBondContact O-CB 3.34Å; T1034-S1037 PolarHBondContact O-N 3.48Å; T1034-S1037 PolarHBondContact O-OG 2.99Å; T1034-F1038 WeakPolarHBondContact O-CD1 3.47Å
1035	L	96.3	Very high	94.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-46.9	179.4	-69.7	176.4	0	0	0	111.3	V987 Y996 V1031 Q1032 S1037 F1038 I1039 L1057	V987-L1035 HydrophobicContact CG2-CD2 3.83Å; Y996-L1035 HydrophobicContact CD1-CD2 4.06Å; Y996-L1035 HydrophobicContact CE1-CD2 4.23Å; V1031-L1035 HydrophobicContact CG1-CD1 3.79Å; V1031-L1035 HydrophobicContact CG1-CG 4.23Å; V1031-L1035 WeakPolarHBondContact O-CB 3.42Å; V1031-L1035 VanDerWaalsContact O-CG 3.31Å; V1031-L1035 WeakPolarHBondContact O-CG 3.23Å; V1031-L1035 PolarHBondContact O-N 3.46Å; Q1032-L1035 PolarHBondContact O-N 3.35Å; L1035-S1037 PolarHBondContact O-N 3.13Å; L1035-S1037 VanDerWaalsContact O-N 3.09Å; L1035-F1038 HydrophobicContact CD2-CE1 4.18Å; L1035-F1038 HydrophobicContact CD2-CZ 4.02Å; L1035-F1038 PolarHBondContact O-N 2.88Å; L1035-F1038 VanDerWaalsContact O-N 3.11Å; L1035-I1039 HydrophobicContact CB-CD1 4.14Å; L1035-I1039 HydrophobicContact CD2-CD1 3.79Å; L1035-I1039 HydrophobicContact CG-CD1 4.47Å; L1035-I1039 WeakPolarHBondContact O-CB 3.42Å; L1035-I1039 PolarHBondContact O-N 3.29Å; L1035-L1057 HydrophobicContact CD1-CD1 4.37Å; L1035-L1057 HydrophobicContact CD1-CD2 3.74Å
1036	L	95.7	Very high	95.4	Very high	59 Å²	59	34.3 Å²	34.3	31%	0.309	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-14.9	176.4	-67.7	172.2	0	0	0	113.5	V951 T953 Q1032 F1038 L1059	V951-L1036 HydrophobicContact CB-CD1 4.2Å; V951-L1036 HydrophobicContact CG2-CD1 3.94Å; T953-L1036 HydrophobicContact CG2-CD2 4.06Å; Q1032-L1036 WeakPolarHBondContact O-CB 3.25Å; Q1032-L1036 VanDerWaalsContact O-CG 3.27Å; Q1032-L1036 WeakPolarHBondContact O-CG 3.33Å; Q1032-L1036 PolarHBondContact O-N 2.92Å; L1036-F1038 VanDerWaalsContact C-N 3.28Å; L1036-F1038 PolarHBondContact O-N 2.86Å; L1036-L1059 HydrophobicContact CD2-CD1 4.06Å
1037	S	93.8	Very high	95.6	Very high	70 Å²	70	32.9 Å²	32.9	49%	0.49	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.2	175.1	81.9	0	0	0	0	114.3	D1033 T1034 L1035	D1033-S1037 PolarHBondContact O-N 2.67Å; T1034-S1037 WeakPolarHBondContact O-CB 3.34Å; T1034-S1037 PolarHBondContact O-N 3.48Å; T1034-S1037 PolarHBondContact O-OG 2.99Å; L1035-S1037 PolarHBondContact O-N 3.13Å; L1035-S1037 VanDerWaalsContact O-N 3.09Å
1038	F	90.8	Very high	95.7	Very high	26 Å²	26	33.2 Å²	33.2	11%	0.114	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.4	-15.9	178.9	73.4	-86.8	0	0	0	115.7	F821 M826 Y967 V987 V995 T1034 L1035 L1036	F821-F1038 HydrophobicContact CD1-CD1 4.23Å; F821-F1038 AromaticContact CD2-CD1 3.74Å; F821-F1038 HydrophobicContact CD2-CD1 3.74Å; F821-F1038 AromaticContact CD2-CE1 3.73Å; F821-F1038 HydrophobicContact CD2-CE1 3.73Å; F821-F1038 HydrophobicContact CD2-CG 4.33Å; F821-F1038 HydrophobicContact CD2-CZ 4.3Å; F821-F1038 HydrophobicContact CE1-CB 4.12Å; F821-F1038 AromaticContact CE1-CD1 3.92Å; F821-F1038 HydrophobicContact CE1-CD1 3.92Å; F821-F1038 HydrophobicContact CE1-CG 4.28Å; F821-F1038 HydrophobicContact CE2-CB 4.02Å; F821-F1038 AromaticContact CE2-CD1 3.41Å; F821-F1038 HydrophobicContact CE2-CD1 3.41Å; F821-F1038 VanDerWaalsContact CE2-CD1 3.41Å; F821-F1038 HydrophobicContact CE2-CD2 4.02Å; F821-F1038 AromaticContact CE2-CE1 3.79Å; F821-F1038 HydrophobicContact CE2-CE1 3.79Å; F821-F1038 HydrophobicContact CE2-CE2 4.34Å; F821-F1038 AromaticContact CE2-CG 3.54Å; F821-F1038 HydrophobicContact CE2-CG 3.54Å; F821-F1038 HydrophobicContact CE2-CZ 4.24Å; F821-F1038 HydrophobicContact CG-CD1 4.16Å; F821-F1038 HydrophobicContact CG-CE1 4.25Å; F821-F1038 HydrophobicContact CZ-CB 3.48Å; F821-F1038 VanDerWaalsContact CZ-CB 3.48Å; F821-F1038 AromaticContact CZ-CD1 3.52Å; F821-F1038 HydrophobicContact CZ-CD1 3.52Å; F821-F1038 HydrophobicContact CZ-CD2 4.35Å; F821-F1038 HydrophobicContact CZ-CE1 4.34Å; F821-F1038 AromaticContact CZ-CG 3.53Å; F821-F1038 HydrophobicContact CZ-CG 3.53Å; M826-F1038 HydrophobicContact CE-CD2 4.27Å; M826-F1038 HydrophobicContact SD-CB 3.99Å; M826-F1038 HydrophobicContact SD-CD2 4.09Å; M826-F1038 HydrophobicContact SD-CG 4.26Å; Y967-F1038 HydrophobicContact CD2-CD2 4.35Å; Y967-F1038 HydrophobicContact CD2-CE2 4.16Å; Y967-F1038 AromaticContact CE2-CD2 3.92Å; Y967-F1038 HydrophobicContact CE2-CD2 3.92Å; Y967-F1038 HydrophobicContact CE2-CE2 4.17Å; Y967-F1038 HydrophobicContact CG-CE2 4.44Å; V987-F1038 HydrophobicContact CG1-CE2 4.24Å; V987-F1038 HydrophobicContact CG1-CZ 4.23Å; V995-F1038 HydrophobicContact CG1-CE2 4.23Å; V995-F1038 HydrophobicContact CG1-CZ 4.3Å; T1034-F1038 WeakPolarHBondContact O-CD1 3.47Å; L1035-F1038 HydrophobicContact CD2-CE1 4.18Å; L1035-F1038 HydrophobicContact CD2-CZ 4.02Å; L1035-F1038 PolarHBondContact O-N 2.88Å; L1035-F1038 VanDerWaalsContact O-N 3.11Å; L1036-F1038 VanDerWaalsContact C-N 3.28Å; L1036-F1038 PolarHBondContact O-N 2.86Å
1039	I	94.5	Very high	95.7	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	18%	0.178	C	C	.	.			trans	-95.4	114.3	172.5	-57.5	174.3	0	0	0	108.3	T953 L1035 T1043 L1045	T953-I1039 HydrophobicContact CG2-CG2 4.07Å; L1035-I1039 HydrophobicContact CB-CD1 4.14Å; L1035-I1039 HydrophobicContact CD2-CD1 3.79Å; L1035-I1039 HydrophobicContact CG-CD1 4.47Å; L1035-I1039 WeakPolarHBondContact O-CB 3.42Å; L1035-I1039 PolarHBondContact O-N 3.29Å; I1039-T1043 HydrophobicContact CG2-CG2 4.22Å; I1039-L1045 HydrophobicContact CD1-CD2 4Å; I1039-L1045 HydrophobicContact CG1-CD2 4.42Å; I1039-L1045 HydrophobicContact CG2-CD1 4.27Å; I1039-L1045 HydrophobicContact CG2-CD2 4.05Å; I1039-L1045 HydrophobicContact CG2-CG 4.38Å
1040	S	94.6	Very high	95.8	Very high	16 Å²	16	26.7 Å²	26.7	11%	0.112	15%	0.151	C	C	.	.			trans	-99.6	171.3	174.4	65.1	0	0	0	0	111.4	A954 R956 D1042 T1043 H1061	A954-S1040 CarbonylContact O-C 3.49Å; A954-S1040 WeakPolarHBondContact O-CA 3.48Å; A954-S1040 WeakPolarHBondContact O-CB 3.36Å; R956-S1040 WeakPolarHBondContact CD-OG 3.45Å; R956-S1040 WeakPolarHBondContact CG-OG 3.31Å; S1040-D1042 PolarHBondContact O-N 3.25Å; S1040-D1042 PolarHBondContact OG-N 3.2Å; S1040-T1043 PolarHBondContact N-OG1 3.3Å; S1040-T1043 WeakPolarHBondContact O-CB 3.2Å; S1040-T1043 PolarHBondContact O-N 2.88Å; S1040-T1043 VanDerWaalsContact O-N 3.11Å; S1040-T1043 PolarHBondContact OG-N 3.34Å; S1040-T1043 PolarHBondContact OG-OG1 3.43Å; S1040-H1061 PolarHBondContact O-CE1 3.3Å
1041	A	95.4	Very high	95.7	Very high	28 Å²	28	23.8 Å²	23.8	23%	0.231	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.4	172.3	0	0	0	0	0	111.6	T953 A954 P955 T1043 H1061 T1063	T953-A1041 WeakPolarHBondContact OG1-CA 3.47Å; A954-A1041 PolarHBondContact O-N 2.79Å; P955-A1041 HydrophobicContact CB-CB 4.33Å; A1041-T1043 VanDerWaalsContact C-N 3.33Å; A1041-T1043 PolarHBondContact O-N 3.04Å; A1041-H1061 PolarHBondContact O-CE1 3.48Å; A1041-T1063 WeakPolarHBondContact O-CB 3.4Å; A1041-T1063 PolarHBondContact O-OG1 3.38Å
1042	D	93.7	Very high	95.6	Very high	62 Å²	62	26.1 Å²	26.1	33%	0.332	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.7	-179.9	-47.8	-93	0	0	0	113.9	Y835 R956 P964 S1040	Y835-D1042 VanDerWaalsContact CE2-O 3.25Å; Y835-D1042 WeakPolarHBondContact CE2-O 3.12Å; Y835-D1042 PolarHBondContact OH-O 3.48Å; R956-D1042 HydrophobicContact CG-CB 4.25Å; R956-D1042 WeakPolarHBondContact CG-OD2 3.42Å; R956-D1042 PolarHBondContact N-OD2 3Å; P964-D1042 HydrophobicContact CB-CB 3.83Å; P964-D1042 WeakPolarHBondContact CB-O 3.3Å; P964-D1042 HydrophobicContact CG-CB 3.94Å; S1040-D1042 PolarHBondContact O-N 3.25Å; S1040-D1042 PolarHBondContact OG-N 3.2Å
1043	T	95.4	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-81.2	127	-176.8	-62.1	0	0	0	0	110.6	P964 Y967 I1039 S1040 A1041 L1045 H1061	P964-T1043 WeakPolarHBondContact O-CB 3.44Å; P964-T1043 PolarHBondContact O-OG1 3.03Å; Y967-T1043 HydrophobicContact CD2-CG2 3.5Å; Y967-T1043 HydrophobicContact CE2-CG2 3.61Å; I1039-T1043 HydrophobicContact CG2-CG2 4.22Å; S1040-T1043 PolarHBondContact N-OG1 3.3Å; S1040-T1043 WeakPolarHBondContact O-CB 3.2Å; S1040-T1043 PolarHBondContact O-N 2.88Å; S1040-T1043 VanDerWaalsContact O-N 3.11Å; S1040-T1043 PolarHBondContact OG-N 3.34Å; S1040-T1043 PolarHBondContact OG-OG1 3.43Å; A1041-T1043 VanDerWaalsContact C-N 3.33Å; A1041-T1043 PolarHBondContact O-N 3.04Å; T1043-L1045 PolarHBondContact O-N 3.36Å; T1043-H1061 PolarHBondContact O-CE1 3.16Å; T1043-H1061 PolarHBondContact O-NE2 2.94Å; T1043-H1061 VanDerWaalsContact O-NE2 3.07Å
1044	I	97.1	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.6	178.8	-66.2	166.7	0	0	0	110.8	Y835 L838 K839 T842 G965 V966 Y967 V1046 T1063 V1065	Y835-I1044 HydrophobicContact CD2-CD1 3.46Å; Y835-I1044 VanDerWaalsContact CD2-CD1 3.46Å; Y835-I1044 HydrophobicContact CD2-CG1 3.9Å; Y835-I1044 HydrophobicContact CE2-CD1 3.63Å; Y835-I1044 HydrophobicContact CE2-CG1 3.68Å; Y835-I1044 HydrophobicContact CG-CD1 4.11Å; Y835-I1044 WeakPolarHBondContact O-CD1 3.34Å; L838-I1044 HydrophobicContact CB-CD1 3.79Å; K839-I1044 HydrophobicContact CB-CD1 4.37Å; T842-I1044 HydrophobicContact CG2-CG1 4.33Å; G965-I1044 PolarHBondContact O-N 3.04Å; G965-I1044 VanDerWaalsContact O-N 3.08Å; V966-I1044 WeakPolarHBondContact CA-O 3.39Å; V966-I1044 HydrophobicContact CG1-CB 4.22Å; V966-I1044 HydrophobicContact CG1-CG2 4.1Å; V966-I1044 HydrophobicContact CG2-CB 4.3Å; V966-I1044 HydrophobicContact CG2-CD1 4.34Å; Y967-I1044 PolarHBondContact N-O 2.83Å; I1044-V1046 HydrophobicContact CG2-CG2 4.01Å; I1044-T1063 WeakPolarHBondContact CA-O 3.48Å; I1044-T1063 HydrophobicContact CB-CG2 4.39Å; I1044-T1063 HydrophobicContact CG1-CG2 3.63Å; I1044-V1065 HydrophobicContact CG2-CB 4.36Å; I1044-V1065 HydrophobicContact CG2-CG2 3.63Å
1045	L	98.1	Very high	95.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.4	170.3	-61.1	-172.6	0	0	0	111.7	Y967 I1039 T1043 L1054 T1063 V1064 V1065	Y967-L1045 CarbonylContact O-C 3.52Å; Y967-L1045 WeakPolarHBondContact O-CA 3.2Å; I1039-L1045 HydrophobicContact CD1-CD2 4Å; I1039-L1045 HydrophobicContact CG1-CD2 4.42Å; I1039-L1045 HydrophobicContact CG2-CD1 4.27Å; I1039-L1045 HydrophobicContact CG2-CD2 4.05Å; I1039-L1045 HydrophobicContact CG2-CG 4.38Å; T1043-L1045 PolarHBondContact O-N 3.36Å; L1045-L1054 HydrophobicContact CD1-CD2 4.37Å; L1045-T1063 PolarHBondContact N-O 2.96Å; L1045-V1064 CarbonylContact O-C 3.23Å; L1045-V1064 WeakPolarHBondContact O-CA 3.49Å; L1045-V1065 PolarHBondContact O-N 3.06Å
1046	V	98.4	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.6	-177.6	-173.3	0	0	0	0	110.7	V966 Y967 S968 L969 I1044 V1065 C1111 M1112 M1115	V966-V1046 HydrophobicContact CG1-CG2 3.93Å; Y967-V1046 PolarHBondContact O-N 2.83Å; S968-V1046 CarbonylContact C-O 3.32Å; S968-V1046 WeakPolarHBondContact CA-O 3.02Å; S968-V1046 VanDerWaalsContact CB-O 3.3Å; S968-V1046 WeakPolarHBondContact CB-O 3.23Å; L969-V1046 PolarHBondContact N-O 3.43Å; I1044-V1046 HydrophobicContact CG2-CG2 4.01Å; V1046-V1065 WeakPolarHBondContact CA-O 3.15Å; V1046-V1065 HydrophobicContact CG2-CB 4.28Å; V1046-C1111 HydrophobicContact CG1-CB 4.34Å; V1046-M1112 HydrophobicContact CG2-CE 4.26Å; V1046-M1115 HydrophobicContact CG1-CB 4.43Å; V1046-M1115 HydrophobicContact CG1-CG 3.62Å
1047	G	97.9	Very high	95.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	-155.2	178.6	0	0	0	0	0	114.2	V1065 T1067	G1047-V1065 PolarHBondContact N-O 3.35Å; G1047-T1067 WeakPolarHBondContact O-CB 3.45Å; G1047-T1067 WeakPolarHBondContact O-CG2 3.25Å; G1047-T1067 PolarHBondContact O-N 2.91Å; G1047-T1067 PolarHBondContact O-OG1 3.14Å
1048	H	97.3	Very high	95.9	Very high	40 Å²	40	16.1 Å²	16.1	19%	0.185	9%	0.091	C	C	.	.	S	Bend	trans	-143.7	94.5	-177.2	-171.3	81.8	0	0	0	112.3	D1066 T1067 L1081 L1083	H1048-D1066 WeakPolarHBondContact CA-OD1 3.45Å; H1048-T1067 WeakPolarHBondContact CB-OG1 3.43Å; H1048-T1067 PolarHBondContact ND1-OG1 3.3Å; H1048-L1081 PolarHBondContact CE1-O 2.83Å; H1048-L1081 PolarHBondContact NE2-O 3.11Å; H1048-L1083 HydrophobicContact CB-CB 4.45Å; H1048-L1083 HydrophobicContact CB-CD1 4.09Å; H1048-L1083 HydrophobicContact CB-CD2 4.45Å; H1048-L1083 PolarHBondContact CE1-N 3.3Å; H1048-L1083 VanDerWaalsContact CE1-N 3.33Å; H1048-L1083 PolarHBondContact NE2-N 3.46Å
1049	G	95.2	Very high	96.2	Very high	13 Å²	13	15 Å²	15	13%	0.134	9%	0.086	C	C	.	.	S	Bend	trans	80.1	34.1	-173.2	0	0	0	0	0	113.6	E1051 T1052 D1066	G1049-E1051 WeakPolarHBondContact CA-OE2 3.2Å; G1049-E1051 PolarHBondContact O-N 2.92Å; G1049-T1052 PolarHBondContact O-N 3.22Å; G1049-D1066 PolarHBondContact N-OD1 2.91Å; G1049-D1066 PolarHBondContact N-OD2 3.08Å
1050	L	96.5	Very high	96.2	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-7.1	-174.6	-74.1	178.7	0	0	0	114.5	Y853 L969 T1052 D1053 L1054 V1064	Y853-L1050 HydrophobicContact CE1-CB 3.88Å; Y853-L1050 PolarHBondContact OH-N 3.47Å; L969-L1050 HydrophobicContact CD2-CD2 3.78Å; L1050-T1052 PolarHBondContact O-N 3.36Å; L1050-D1053 HydrophobicContact CD2-CB 3.76Å; L1050-D1053 PolarHBondContact O-N 3.05Å; L1050-L1054 WeakPolarHBondContact O-CB 3.47Å; L1050-L1054 WeakPolarHBondContact O-CG 3.41Å; L1050-L1054 PolarHBondContact O-N 3.46Å; L1050-V1064 HydrophobicContact CB-CG1 4.34Å; L1050-V1064 HydrophobicContact CD1-CG1 3.9Å
1051	E	94.9	Very high	96.4	Very high	37 Å²	37	15.2 Å²	15.2	17%	0.173	9%	0.085	C	C	.	.	H	α-helix	trans	-53.6	-34.5	169.8	63.5	-92	-161.1	0	0	112.1	Y853 G1049 C1055 K1080	Y853-E1051 HydrophobicContact CD1-CB 4.4Å; Y853-E1051 HydrophobicContact CD2-CB 4.04Å; Y853-E1051 HydrophobicContact CE1-CB 4.32Å; Y853-E1051 VanDerWaalsContact CE1-N 3.33Å; Y853-E1051 HydrophobicContact CE2-CB 3.96Å; Y853-E1051 HydrophobicContact CG-CB 4.24Å; Y853-E1051 PolarHBondContact OH-N 3.31Å; Y853-E1051 PolarHBondContact OH-OE2 2.9Å; G1049-E1051 WeakPolarHBondContact CA-OE2 3.2Å; G1049-E1051 PolarHBondContact O-N 2.92Å; E1051-C1055 PolarHBondContact O-N 2.97Å; E1051-C1055 PolarHBondContact O-SG 2.79Å; E1051-K1080 IonicContact OE1-NZ 2.65Å; E1051-K1080 PolarHBondContact OE1-NZ 3.11Å; E1051-K1080 IonicContact OE2-NZ 3.21Å; E1051-K1080 PolarHBondContact OE2-NZ 3.16Å
1052	T	94.3	Very high	96.3	Very high	49 Å²	49	15.6 Å²	15.6	30%	0.301	9%	0.093	S	C	.	.	H	α-helix	trans	-82.5	-45.1	-179.6	-56.6	0	0	0	0	111.5	M973 G1049 L1050 L1054 C1055 L1056	M973-T1052 HydrophobicContact CE-CG2 4.42Å; M973-T1052 HydrophobicContact SD-CG2 4.06Å; G1049-T1052 PolarHBondContact O-N 3.22Å; L1050-T1052 PolarHBondContact O-N 3.36Å; T1052-L1054 PolarHBondContact O-N 2.88Å; T1052-C1055 WeakPolarHBondContact O-CB 3.33Å; T1052-C1055 PolarHBondContact O-N 2.87Å; T1052-L1056 HydrophobicContact CG2-CD1 3.9Å; T1052-L1056 HydrophobicContact CG2-CG 4.47Å; T1052-L1056 WeakPolarHBondContact O-CG 3.25Å; T1052-L1056 PolarHBondContact O-N 3.15Å
1053	D	97.3	Very high	96.5	Very high	9 Å²	9	14.3 Å²	14.3	5%	0.048	9%	0.087	C	C	.	.	H	α-helix	trans	-56.8	-47.8	177	-60.8	-105	0	0	0	112.2	L969 C971 L1050 C1055 L1056 L1057	L969-D1053 HydrophobicContact CD2-CB 3.94Å; C971-D1053 HydrophobicContact CB-CB 4.44Å; C971-D1053 WeakPolarHBondContact CB-OD1 3.15Å; C971-D1053 PolarHBondContact N-OD1 3.47Å; C971-D1053 PolarHBondContact SG-OD1 3.08Å; C971-D1053 VanDerWaalsContact SG-OD1 3.33Å; L1050-D1053 HydrophobicContact CD2-CB 3.76Å; L1050-D1053 PolarHBondContact O-N 3.05Å; D1053-C1055 VanDerWaalsContact C-N 3.32Å; D1053-C1055 PolarHBondContact O-N 2.86Å; D1053-L1056 PolarHBondContact O-N 3.44Å; D1053-L1056 VanDerWaalsContact O-N 3.16Å; D1053-L1057 WeakPolarHBondContact O-CB 3.48Å; D1053-L1057 WeakPolarHBondContact O-CG 3.23Å; D1053-L1057 PolarHBondContact O-N 2.95Å
1054	L	97.1	Very high	96.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-69.2	-30.5	-179.6	-68.4	174.6	0	0	0	112.3	Y853 P854 L1045 L1050 T1052 K1058 L1059 V1064	Y853-L1054 HydrophobicContact CD1-CD1 3.88Å; Y853-L1054 HydrophobicContact CE1-CD1 3.95Å; P854-L1054 HydrophobicContact CG-CB 3.98Å; L1045-L1054 HydrophobicContact CD1-CD2 4.37Å; L1050-L1054 WeakPolarHBondContact O-CB 3.47Å; L1050-L1054 WeakPolarHBondContact O-CG 3.41Å; L1050-L1054 PolarHBondContact O-N 3.46Å; T1052-L1054 PolarHBondContact O-N 2.88Å; L1054-K1058 WeakPolarHBondContact O-CA 3.41Å; L1054-K1058 PolarHBondContact O-N 2.93Å; L1054-L1059 HydrophobicContact CD2-CB 4.08Å; L1054-L1059 HydrophobicContact CD2-CD2 3.99Å; L1054-L1059 HydrophobicContact CD2-CG 4.28Å; L1054-L1059 PolarHBondContact O-N 2.76Å; L1054-V1064 HydrophobicContact CD1-CG2 3.82Å
1055	C	95.9	Very high	96.7	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.027	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-39.8	169.2	-73.1	0	0	0	0	112.6	L945 F950 E1051 T1052 D1053 K1058	L945-C1055 HydrophobicContact CD1-CB 3.85Å; F950-C1055 HydrophobicContact CZ-CB 4.49Å; E1051-C1055 PolarHBondContact O-N 2.97Å; E1051-C1055 PolarHBondContact O-SG 2.79Å; T1052-C1055 WeakPolarHBondContact O-CB 3.33Å; T1052-C1055 PolarHBondContact O-N 2.87Å; D1053-C1055 VanDerWaalsContact C-N 3.32Å; D1053-C1055 PolarHBondContact O-N 2.86Å; C1055-K1058 WeakPolarHBondContact O-CG 3.47Å; C1055-K1058 PolarHBondContact O-N 2.85Å
1056	L	95.4	Very high	96.6	Very high	8 Å²	8	14.2 Å²	14.2	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-75.3	-36.4	-178.7	-72.1	168.4	0	0	0	113.1	L945 M973 L980 L982 T1052 D1053 K1058	L945-L1056 HydrophobicContact CD2-CD2 3.54Å; L945-L1056 HydrophobicContact CD2-CG 4Å; M973-L1056 HydrophobicContact CB-CD1 3.67Å; M973-L1056 HydrophobicContact CE-CD1 3.79Å; M973-L1056 HydrophobicContact CG-CD1 4.32Å; M973-L1056 HydrophobicContact SD-CD1 3.75Å; L980-L1056 HydrophobicContact CB-CD2 4.09Å; L980-L1056 WeakPolarHBondContact O-CD2 3.3Å; L982-L1056 HydrophobicContact CB-CB 4.33Å; L982-L1056 HydrophobicContact CD1-CB 4.43Å; T1052-L1056 HydrophobicContact CG2-CD1 3.9Å; T1052-L1056 HydrophobicContact CG2-CG 4.47Å; T1052-L1056 WeakPolarHBondContact O-CG 3.25Å; T1052-L1056 PolarHBondContact O-N 3.15Å; D1053-L1056 PolarHBondContact O-N 3.44Å; D1053-L1056 VanDerWaalsContact O-N 3.16Å; L1056-K1058 PolarHBondContact O-N 2.98Å
1057	L	96.9	Very high	96.6	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.2	168	-72	165.8	0	0	0	112.6	L969 L982 V985 V1031 Q1032 L1035 D1053 L1059	L969-L1057 HydrophobicContact CD1-CD1 3.86Å; L969-L1057 HydrophobicContact CD2-CD1 3.92Å; L982-L1057 HydrophobicContact CD2-CD2 3.54Å; L982-L1057 HydrophobicContact CD2-CG 4.24Å; V985-L1057 HydrophobicContact CB-CD2 4.48Å; V985-L1057 HydrophobicContact CG2-CD2 4.26Å; V1031-L1057 HydrophobicContact CG1-CD2 3.83Å; Q1032-L1057 PolarHBondContact NE2-O 2.61Å; L1035-L1057 HydrophobicContact CD1-CD1 4.37Å; L1035-L1057 HydrophobicContact CD1-CD2 3.74Å; D1053-L1057 WeakPolarHBondContact O-CB 3.48Å; D1053-L1057 WeakPolarHBondContact O-CG 3.23Å; D1053-L1057 PolarHBondContact O-N 2.95Å; L1057-L1059 VanDerWaalsContact C-N 3.29Å; L1057-L1059 HydrophobicContact CB-CB 4.01Å; L1057-L1059 PolarHBondContact O-N 3.21Å
1058	K	96.6	Very high	96.4	Very high	39 Å²	39	14.5 Å²	14.5	17%	0.17	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	50.3	-169.9	-52.6	-178.2	176.1	-171	0	111.4	D948 G949 F950 V951 L1028 Q1032 L1054 C1055 L1056	D948-K1058 WeakPolarHBondContact O-CD 3.32Å; D948-K1058 WeakPolarHBondContact O-CE 3.36Å; D948-K1058 PolarHBondContact O-NZ 3.03Å; G949-K1058 WeakPolarHBondContact O-CB 3.48Å; F950-K1058 CarbonylContact C-O 3.6Å; F950-K1058 VanDerWaalsContact CA-O 3.25Å; F950-K1058 WeakPolarHBondContact CA-O 3.3Å; F950-K1058 HydrophobicContact CD1-CB 4.08Å; F950-K1058 HydrophobicContact CD2-CB 3.84Å; F950-K1058 HydrophobicContact CD2-CG 4.2Å; F950-K1058 HydrophobicContact CE1-CB 4.22Å; F950-K1058 HydrophobicContact CE2-CB 3.93Å; F950-K1058 HydrophobicContact CE2-CD 4.43Å; F950-K1058 HydrophobicContact CE2-CG 3.9Å; F950-K1058 HydrophobicContact CG-CB 3.9Å; F950-K1058 HydrophobicContact CZ-CB 4.14Å; F950-K1058 HydrophobicContact CZ-CG 4.22Å; V951-K1058 PolarHBondContact N-O 2.77Å; L1028-K1058 HydrophobicContact CD2-CD 3.96Å; L1028-K1058 HydrophobicContact CD2-CG 4.22Å; Q1032-K1058 PolarHBondContact NE2-O 3.31Å; L1054-K1058 WeakPolarHBondContact O-CA 3.41Å; L1054-K1058 PolarHBondContact O-N 2.93Å; C1055-K1058 WeakPolarHBondContact O-CG 3.47Å; C1055-K1058 PolarHBondContact O-N 2.85Å; L1056-K1058 PolarHBondContact O-N 2.98Å
1059	L	96.9	Very high	96.3	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.5	-173	-174.6	65.5	0	0	0	110.3	V951 T953 L1036 L1054 L1057 H1061	V951-L1059 HydrophobicContact CG2-CD1 3.97Å; V951-L1059 WeakPolarHBondContact O-CA 3.44Å; T953-L1059 HydrophobicContact CG2-CD1 3.81Å; T953-L1059 HydrophobicContact CG2-CD2 4.42Å; T953-L1059 HydrophobicContact CG2-CG 4.25Å; L1036-L1059 HydrophobicContact CD2-CD1 4.06Å; L1054-L1059 HydrophobicContact CD2-CB 4.08Å; L1054-L1059 HydrophobicContact CD2-CD2 3.99Å; L1054-L1059 HydrophobicContact CD2-CG 4.28Å; L1054-L1059 PolarHBondContact O-N 2.76Å; L1057-L1059 VanDerWaalsContact C-N 3.29Å; L1057-L1059 HydrophobicContact CB-CB 4.01Å; L1057-L1059 PolarHBondContact O-N 3.21Å; L1059-H1061 HydrophobicContact CG-CB 4.39Å
1060	L	96.4	Very high	96.3	Very high	15 Å²	15	14.9 Å²	14.9	8%	0.079	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.6	172.8	-59.2	171.6	0	0	0	108.6	P854 Q856 A864 F950 V951 S952 T953	P854-L1060 HydrophobicContact CB-CD2 3.98Å; P854-L1060 WeakPolarHBondContact O-CD2 3.31Å; Q856-L1060 HydrophobicContact CB-CD1 3.87Å; Q856-L1060 HydrophobicContact CG-CD1 4.05Å; A864-L1060 HydrophobicContact CB-CD2 4.21Å; F950-L1060 HydrophobicContact CB-CD1 4.09Å; F950-L1060 HydrophobicContact CB-CG 4.07Å; F950-L1060 HydrophobicContact CD1-CD2 3.69Å; F950-L1060 HydrophobicContact CD1-CG 3.88Å; F950-L1060 HydrophobicContact CE1-CD2 4.36Å; F950-L1060 HydrophobicContact CG-CD2 4.44Å; F950-L1060 HydrophobicContact CG-CG 4.41Å; V951-L1060 PolarHBondContact O-N 3.45Å; S952-L1060 WeakPolarHBondContact CA-O 3.45Å; T953-L1060 PolarHBondContact N-O 3.12Å; T953-L1060 PolarHBondContact OG1-O 3.3Å
1061	H	96.8	Very high	96.3	Very high	9 Å²	9	15.1 Å²	15.1	4%	0.042	9%	0.092	C	C	.	.			trans	-150.9	127.8	-175.8	177.8	72.8	0	0	0	110.6	M848 T953 S1040 A1041 T1043 L1059 T1063	M848-H1061 WeakPolarHBondContact CE-O 3.35Å; T953-H1061 HydrophobicContact CG2-CB 3.94Å; T953-H1061 PolarHBondContact OG1-ND1 3.3Å; S1040-H1061 PolarHBondContact O-CE1 3.3Å; A1041-H1061 PolarHBondContact O-CE1 3.48Å; T1043-H1061 PolarHBondContact O-CE1 3.16Å; T1043-H1061 PolarHBondContact O-NE2 2.94Å; T1043-H1061 VanDerWaalsContact O-NE2 3.07Å; L1059-H1061 HydrophobicContact CG-CB 4.39Å; H1061-T1063 PolarHBondContact NE2-N 3.02Å; H1061-T1063 PolarHBondContact NE2-O 3.15Å
1062	G	95.2	Very high	96.1	Very high	37 Å²	37	18 Å²	18	38%	0.381	11%	0.114	S	C	.	.			trans	-94	-24.7	-172.5	0	0	0	0	0	115.9	V1064	G1062-V1064 PolarHBondContact O-N 3.39Å
1063	T	96.8	Very high	96	Very high	34 Å²	34	18.3 Å²	18.3	21%	0.209	11%	0.111	C	C	.	.			trans	-87.8	59.4	-170.1	-53.7	0	0	0	0	111.8	T842 A1041 I1044 L1045 H1061	T842-T1063 HydrophobicContact CG2-CG2 3.77Å; A1041-T1063 WeakPolarHBondContact O-CB 3.4Å; A1041-T1063 PolarHBondContact O-OG1 3.38Å; I1044-T1063 WeakPolarHBondContact CA-O 3.48Å; I1044-T1063 HydrophobicContact CB-CG2 4.39Å; I1044-T1063 HydrophobicContact CG1-CG2 3.63Å; L1045-T1063 PolarHBondContact N-O 2.96Å; H1061-T1063 PolarHBondContact NE2-N 3.02Å; H1061-T1063 PolarHBondContact NE2-O 3.15Å
1064	V	98	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.6	-175.1	-178.6	0	0	0	0	112	T842 L843 Y853 L1045 L1050 L1054 G1062	T842-V1064 CarbonylContact C-O 3.52Å; T842-V1064 VanDerWaalsContact CA-O 3.26Å; T842-V1064 WeakPolarHBondContact CA-O 3.24Å; L843-V1064 HydrophobicContact CD1-CB 4.45Å; L843-V1064 HydrophobicContact CD1-CG1 4.31Å; L843-V1064 PolarHBondContact N-O 2.96Å; Y853-V1064 HydrophobicContact CD1-CG2 4.46Å; Y853-V1064 HydrophobicContact CE1-CB 4.39Å; Y853-V1064 HydrophobicContact CE1-CG1 3.78Å; Y853-V1064 HydrophobicContact CE1-CG2 4.25Å; L1045-V1064 CarbonylContact O-C 3.23Å; L1045-V1064 WeakPolarHBondContact O-CA 3.49Å; L1050-V1064 HydrophobicContact CB-CG1 4.34Å; L1050-V1064 HydrophobicContact CD1-CG1 3.9Å; L1054-V1064 HydrophobicContact CD1-CG2 3.82Å; G1062-V1064 PolarHBondContact O-N 3.39Å
1065	V	98.1	Very high	95.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	98.7	168.9	177.2	0	0	0	0	108.7	T842 I1044 L1045 V1046 G1047 V1070 M1115	T842-V1065 HydrophobicContact CG2-CG2 3.71Å; I1044-V1065 HydrophobicContact CG2-CB 4.36Å; I1044-V1065 HydrophobicContact CG2-CG2 3.63Å; L1045-V1065 PolarHBondContact O-N 3.06Å; V1046-V1065 WeakPolarHBondContact CA-O 3.15Å; V1046-V1065 HydrophobicContact CG2-CB 4.28Å; G1047-V1065 PolarHBondContact N-O 3.35Å; V1065-V1070 HydrophobicContact CG1-CG2 4.25Å; V1065-M1115 HydrophobicContact CG1-CE 3.71Å; V1065-M1115 HydrophobicContact CG1-CG 4.13Å; V1065-M1115 HydrophobicContact CG1-SD 3.85Å
1066	D	97.5	Very high	94.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116	179.5	-174.6	3.1	0	0	0	111.8	L843 Y853 H1048 G1049 S1068 V1069 V1070 K1080	L843-D1066 HydrophobicContact CD1-CB 4.33Å; Y853-D1066 WeakPolarHBondContact OH-CB 3.49Å; Y853-D1066 PolarHBondContact OH-OD2 3.04Å; H1048-D1066 WeakPolarHBondContact CA-OD1 3.45Å; G1049-D1066 PolarHBondContact N-OD1 2.91Å; G1049-D1066 PolarHBondContact N-OD2 3.08Å; D1066-S1068 PolarHBondContact O-N 2.92Å; D1066-S1068 VanDerWaalsContact OD1-CB 3.3Å; D1066-S1068 WeakPolarHBondContact OD1-CB 3.47Å; D1066-S1068 PolarHBondContact OD1-N 3.39Å; D1066-S1068 PolarHBondContact OD1-OG 2.7Å; D1066-S1068 PolarHBondContact OD2-OG 2.87Å; D1066-V1069 HydrophobicContact CB-CB 4.41Å; D1066-V1069 HydrophobicContact CB-CG2 4.09Å; D1066-V1069 PolarHBondContact O-N 2.88Å; D1066-V1070 WeakPolarHBondContact O-CG2 3.47Å; D1066-V1070 PolarHBondContact O-N 3.43Å; D1066-K1080 IonicContact OD2-NZ 2.94Å; D1066-K1080 PolarHBondContact OD2-NZ 3.43Å
1067	T	97.3	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-22.8	174.7	60.9	0	0	0	0	113.1	G1047 H1048 V1069 F1071 C1111 L1114 M1115	G1047-T1067 WeakPolarHBondContact O-CB 3.45Å; G1047-T1067 WeakPolarHBondContact O-CG2 3.25Å; G1047-T1067 PolarHBondContact O-N 2.91Å; G1047-T1067 PolarHBondContact O-OG1 3.14Å; H1048-T1067 WeakPolarHBondContact CB-OG1 3.43Å; H1048-T1067 PolarHBondContact ND1-OG1 3.3Å; T1067-V1069 PolarHBondContact O-N 3.16Å; T1067-F1071 WeakPolarHBondContact O-CB 3.32Å; T1067-F1071 WeakPolarHBondContact O-CD2 3.27Å; T1067-F1071 PolarHBondContact O-N 3.46Å; T1067-F1071 VanDerWaalsContact O-N 3.15Å; T1067-C1111 HydrophobicContact CG2-CB 4.27Å; T1067-L1114 HydrophobicContact CG2-CB 4.37Å; T1067-M1115 HydrophobicContact CG2-CG 3.96Å; T1067-M1115 HydrophobicContact CG2-SD 4.03Å
1068	S	95.1	Very high	93.4	Very high	5 Å²	5	46.5 Å²	46.5	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-70.5	-21.6	174.9	92.4	0	0	0	0	113.1	D1066 K1080	D1066-S1068 PolarHBondContact O-N 2.92Å; D1066-S1068 VanDerWaalsContact OD1-CB 3.3Å; D1066-S1068 WeakPolarHBondContact OD1-CB 3.47Å; D1066-S1068 PolarHBondContact OD1-N 3.39Å; D1066-S1068 PolarHBondContact OD1-OG 2.7Å; D1066-S1068 PolarHBondContact OD2-OG 2.87Å; S1068-K1080 VanDerWaalsContact OG-CD 3.25Å; S1068-K1080 WeakPolarHBondContact OG-CD 3.36Å; S1068-K1080 WeakPolarHBondContact OG-CE 3.49Å; S1068-K1080 PolarHBondContact OG-NZ 2.96Å
1069	V	94.5	Very high	93	Very high	36 Å²	36	48.1 Å²	48.1	22%	0.218	27%	0.274	C	S	.	.	H	α-helix	trans	-97.3	-43.2	175.4	-177.5	0	0	0	0	111.1	L843 N851 D1066 T1067 F1071 P1072	L843-V1069 HydrophobicContact CD2-CB 4.02Å; L843-V1069 HydrophobicContact CD2-CG1 3.83Å; L843-V1069 HydrophobicContact CD2-CG2 4.14Å; N851-V1069 WeakPolarHBondContact OD1-CG2 3.33Å; D1066-V1069 HydrophobicContact CB-CB 4.41Å; D1066-V1069 HydrophobicContact CB-CG2 4.09Å; D1066-V1069 PolarHBondContact O-N 2.88Å; T1067-V1069 PolarHBondContact O-N 3.16Å; V1069-F1071 PolarHBondContact O-N 3.02Å; V1069-P1072 WeakPolarHBondContact O-CD 3.2Å
1070	V	95.6	Very high	92.7	Very high	26 Å²	26	51.7 Å²	51.7	16%	0.158	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-26.5	178.4	174	0	0	0	0	112.7	Y841 V1065 D1066 P1072 M1115 K1118	Y841-V1070 HydrophobicContact CD1-CG1 4.02Å; Y841-V1070 HydrophobicContact CD1-CG2 4.4Å; V1065-V1070 HydrophobicContact CG1-CG2 4.25Å; D1066-V1070 WeakPolarHBondContact O-CG2 3.47Å; D1066-V1070 PolarHBondContact O-N 3.43Å; V1070-P1072 VanDerWaalsContact C-CD 3.47Å; V1070-P1072 VanDerWaalsContact O-CD 3.27Å; V1070-P1072 WeakPolarHBondContact O-CD 3.39Å; V1070-M1115 HydrophobicContact CB-SD 4.19Å; V1070-M1115 HydrophobicContact CG1-CE 4.03Å; V1070-M1115 HydrophobicContact CG1-SD 3.84Å; V1070-M1115 HydrophobicContact CG2-CE 4.34Å; V1070-M1115 HydrophobicContact CG2-SD 4.19Å; V1070-K1118 HydrophobicContact CG1-CG 4.13Å
1071	F	95.3	Very high	92.5	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.026	29%	0.293	C	S	.	.	S	Bend	trans	-114.3	76.6	173.7	-64.1	-94.7	0	0	0	110.6	T1067 V1069 L1086 Y1090 L1114 M1115 W1117 K1118	T1067-F1071 WeakPolarHBondContact O-CB 3.32Å; T1067-F1071 WeakPolarHBondContact O-CD2 3.27Å; T1067-F1071 PolarHBondContact O-N 3.46Å; T1067-F1071 VanDerWaalsContact O-N 3.15Å; V1069-F1071 PolarHBondContact O-N 3.02Å; F1071-L1086 HydrophobicContact CB-CD1 4.05Å; F1071-L1086 HydrophobicContact CB-CD2 3.46Å; F1071-L1086 VanDerWaalsContact CB-CD2 3.46Å; F1071-L1086 HydrophobicContact CB-CG 4.42Å; F1071-L1086 HydrophobicContact CD1-CD2 4.29Å; F1071-L1086 HydrophobicContact CD2-CD1 4.34Å; F1071-L1086 HydrophobicContact CG-CD1 4.35Å; F1071-L1086 HydrophobicContact CG-CD2 3.95Å; F1071-Y1090 AromaticContact CD1-CD2 3.75Å; F1071-Y1090 HydrophobicContact CD1-CD2 3.75Å; F1071-Y1090 HydrophobicContact CD1-CE1 4.47Å; F1071-Y1090 AromaticContact CD1-CE2 3.31Å; F1071-Y1090 HydrophobicContact CD1-CE2 3.31Å; F1071-Y1090 HydrophobicContact CD1-CG 4.49Å; F1071-Y1090 AromaticContact CD1-CZ 3.72Å; F1071-Y1090 HydrophobicContact CE1-CD1 4.36Å; F1071-Y1090 AromaticContact CE1-CD2 3.63Å; F1071-Y1090 HydrophobicContact CE1-CD2 3.63Å; F1071-Y1090 HydrophobicContact CE1-CE1 4.37Å; F1071-Y1090 AromaticContact CE1-CE2 3.67Å; F1071-Y1090 HydrophobicContact CE1-CE2 3.67Å; F1071-Y1090 HydrophobicContact CE1-CG 4Å; F1071-Y1090 HydrophobicContact CG-CE2 4.29Å; F1071-L1114 HydrophobicContact CE2-CB 4.04Å; F1071-L1114 HydrophobicContact CZ-CB 4.21Å; F1071-L1114 HydrophobicContact CZ-CD2 4.2Å; F1071-M1115 HydrophobicContact CE2-SD 4.4Å; F1071-W1117 HydrophobicContact CE1-CE3 4.18Å; F1071-W1117 HydrophobicContact CE1-CZ3 4.1Å; F1071-W1117 HydrophobicContact CZ-CE3 4.3Å; F1071-K1118 HydrophobicContact CE1-CD 4.08Å; F1071-K1118 HydrophobicContact CE2-CB 4.48Å; F1071-K1118 HydrophobicContact CZ-CB 3.91Å; F1071-K1118 HydrophobicContact CZ-CD 4.12Å; F1071-K1118 HydrophobicContact CZ-CG 4.33Å
1072	P	92	Very high	92.3	Very high	97 Å²	97	54.7 Å²	54.7	63%	0.63	31%	0.31	S	S	*	.			trans	-67.5	145.9	-172.5	27.8	-35.8	0	0	0	112.7	V1069 V1070	V1069-P1072 WeakPolarHBondContact O-CD 3.2Å; V1070-P1072 VanDerWaalsContact C-CD 3.47Å; V1070-P1072 VanDerWaalsContact O-CD 3.27Å; V1070-P1072 WeakPolarHBondContact O-CD 3.39Å
1073	H	91.9	Very high	92.3	Very high	55 Å²	55	53.2 Å²	53.2	26%	0.255	29%	0.293	S	S	.	.			trans	-71.6	144.2	176	-171.8	-101.8	0	0	0	111.7	L1075 G1076 N1079 L1081	H1073-L1075 PolarHBondContact ND1-N 2.76Å; H1073-L1075 PolarHBondContact O-N 3.12Å; H1073-G1076 PolarHBondContact O-N 2.93Å; H1073-N1079 HydrophobicContact CB-CB 4.02Å; H1073-N1079 WeakPolarHBondContact CB-O 3.4Å; H1073-N1079 VanDerWaalsContact ND1-CB 3.29Å; H1073-N1079 WeakPolarHBondContact ND1-CB 3.49Å; H1073-L1081 HydrophobicContact CB-CG 4.28Å
1074	R	89.7	Confident	92.1	Very high	222 Å²	222	53.5 Å²	53.5	84%	0.838	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.7	-177.4	-64	179	-176.2	-104.1	-0.1	115.3	E1089	R1074-E1089 IonicContact NH2-OE1 2.67Å
1075	L	88.3	Confident	91.8	Very high	134 Å²	134	55.9 Å²	55.9	70%	0.702	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	5.2	175	-54.6	-179	0	0	0	113.3	H1073	H1073-L1075 PolarHBondContact ND1-N 2.76Å; H1073-L1075 PolarHBondContact O-N 3.12Å
1076	G	86.3	Confident	91.7	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	31%	0.31	C	S	.	.			trans	67.3	-179	-175.6	0	0	0	0	0	115	H1073 N1079	H1073-G1076 PolarHBondContact O-N 2.93Å; G1076-N1079 VanDerWaalsContact O-CB 3.3Å; G1076-N1079 WeakPolarHBondContact O-CB 3.18Å; G1076-N1079 PolarHBondContact O-N 3.33Å; G1076-N1079 VanDerWaalsContact O-N 3.12Å; G1076-N1079 PolarHBondContact O-ND2 3.17Å
1077	P	80.8	Confident	91.5	Very high	107 Å²	107	55.9 Å²	55.9	70%	0.695	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	150.9	172	-25.2	35.3	0	0	0	112.5	N1079	P1077-N1079 VanDerWaalsContact C-N 3.25Å
1078	P	82.3	Confident	91.2	Very high	128 Å²	128	57.7 Å²	57.7	83%	0.831	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.6	13.6	-0.1	35.8	-37.6	0	0	0	113.6	K1080	P1078-K1080 PolarHBondContact O-N 3.07Å
1079	N	87.4	Confident	91.1	Very high	73 Å²	73	60.8 Å²	60.8	39%	0.39	34%	0.339	S	S	.	.			trans	-78	114.9	-179.4	-50.1	-87.5	0	0	0	110	H1073 G1076 P1077	H1073-N1079 HydrophobicContact CB-CB 4.02Å; H1073-N1079 WeakPolarHBondContact CB-O 3.4Å; H1073-N1079 VanDerWaalsContact ND1-CB 3.29Å; H1073-N1079 WeakPolarHBondContact ND1-CB 3.49Å; G1076-N1079 VanDerWaalsContact O-CB 3.3Å; G1076-N1079 WeakPolarHBondContact O-CB 3.18Å; G1076-N1079 PolarHBondContact O-N 3.33Å; G1076-N1079 VanDerWaalsContact O-N 3.12Å; G1076-N1079 PolarHBondContact O-ND2 3.17Å; P1077-N1079 VanDerWaalsContact C-N 3.25Å
1080	K	90.7	Very high	91	Very high	77 Å²	77	62.1 Å²	62.1	34%	0.335	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-96.9	141.5	165.6	-71.2	179.5	166.5	-161.6	0	109.8	E1051 D1066 S1068 P1078	E1051-K1080 IonicContact OE1-NZ 2.65Å; E1051-K1080 PolarHBondContact OE1-NZ 3.11Å; E1051-K1080 IonicContact OE2-NZ 3.21Å; E1051-K1080 PolarHBondContact OE2-NZ 3.16Å; D1066-K1080 IonicContact OD2-NZ 2.94Å; D1066-K1080 PolarHBondContact OD2-NZ 3.43Å; S1068-K1080 VanDerWaalsContact OG-CD 3.25Å; S1068-K1080 WeakPolarHBondContact OG-CD 3.36Å; S1068-K1080 WeakPolarHBondContact OG-CE 3.49Å; S1068-K1080 PolarHBondContact OG-NZ 2.96Å; P1078-K1080 PolarHBondContact O-N 3.07Å
1081	L	92.6	Very high	90.8	Very high	30 Å²	30	62.8 Å²	62.8	16%	0.157	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.8	141.7	167.2	-80.1	168.3	0	0	0	109.1	H1048 H1073 L1086	H1048-L1081 PolarHBondContact CE1-O 2.83Å; H1048-L1081 PolarHBondContact NE2-O 3.11Å; H1073-L1081 HydrophobicContact CB-CG 4.28Å; L1081-L1086 HydrophobicContact CB-CD2 3.74Å; L1081-L1086 HydrophobicContact CB-CG 4.13Å; L1081-L1086 HydrophobicContact CD1-CD2 3.68Å; L1081-L1086 HydrophobicContact CG-CD2 4.31Å
1082	S	93.1	Very high	90.4	Very high	57 Å²	57	71.8 Å²	71.8	40%	0.399	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-79.3	147.1	175.9	77.3	0	0	0	0	111.8	N1084 S1085 L1086	S1082-N1084 PolarHBondContact O-N 3.41Å; S1082-N1084 VanDerWaalsContact O-N 3.13Å; S1082-S1085 WeakPolarHBondContact O-CA 3.42Å; S1082-S1085 VanDerWaalsContact O-CB 3.23Å; S1082-S1085 WeakPolarHBondContact O-CB 3.43Å; S1082-S1085 PolarHBondContact O-N 3.29Å; S1082-S1085 PolarHBondContact OG-N 3.39Å; S1082-S1085 PolarHBondContact OG-OG 3.07Å; S1082-L1086 PolarHBondContact O-N 3.24Å
1083	L	95.1	Very high	90.1	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-49.1	-42.6	177	-170.8	63	0	0	0	112.3	H1048 S1085 L1086 T1087 I1095 D1107 A1110 L1114	H1048-L1083 HydrophobicContact CB-CB 4.45Å; H1048-L1083 HydrophobicContact CB-CD1 4.09Å; H1048-L1083 HydrophobicContact CB-CD2 4.45Å; H1048-L1083 PolarHBondContact CE1-N 3.3Å; H1048-L1083 VanDerWaalsContact CE1-N 3.33Å; H1048-L1083 PolarHBondContact NE2-N 3.46Å; L1083-S1085 VanDerWaalsContact C-N 3.33Å; L1083-S1085 PolarHBondContact O-N 2.95Å; L1083-L1086 WeakPolarHBondContact O-CB 3.44Å; L1083-L1086 PolarHBondContact O-N 3Å; L1083-L1086 VanDerWaalsContact O-N 3.11Å; L1083-T1087 WeakPolarHBondContact O-CG2 3.37Å; L1083-T1087 PolarHBondContact O-N 3.03Å; L1083-T1087 PolarHBondContact O-OG1 2.78Å; L1083-I1095 HydrophobicContact CB-CD1 4.21Å; L1083-I1095 HydrophobicContact CD2-CD1 3.76Å; L1083-I1095 HydrophobicContact CG-CD1 3.63Å; L1083-D1107 HydrophobicContact CD2-CB 3.81Å; L1083-A1110 HydrophobicContact CD1-CB 4.35Å; L1083-A1110 HydrophobicContact CD2-CB 4.25Å; L1083-A1110 HydrophobicContact CG-CB 4.39Å; L1083-L1114 HydrophobicContact CD1-CD1 3.58Å
1084	N	91.7	Very high	89.7	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.214	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-39.6	176.2	-151.5	-53	0	0	0	113.2	S1082 T1087 A1088 I1094 I1095 Q1096	S1082-N1084 PolarHBondContact O-N 3.41Å; S1082-N1084 VanDerWaalsContact O-N 3.13Å; N1084-T1087 PolarHBondContact O-OG1 3Å; N1084-A1088 VanDerWaalsContact O-CB 3.23Å; N1084-A1088 WeakPolarHBondContact O-CB 3.32Å; N1084-A1088 PolarHBondContact O-N 2.71Å; N1084-A1088 VanDerWaalsContact O-N 3.11Å; N1084-I1094 WeakPolarHBondContact OD1-CG2 3.49Å; N1084-I1095 HydrophobicContact CB-CG1 4.23Å; N1084-I1095 PolarHBondContact ND2-O 2.99Å; N1084-Q1096 PolarHBondContact ND2-OE1 3.47Å
1085	S	92.4	Very high	89.5	Confident	50 Å²	50	56.8 Å²	56.8	35%	0.35	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-45.4	172.8	-50.1	0	0	0	0	111	S1082 L1083 A1088 E1089	S1082-S1085 WeakPolarHBondContact O-CA 3.42Å; S1082-S1085 VanDerWaalsContact O-CB 3.23Å; S1082-S1085 WeakPolarHBondContact O-CB 3.43Å; S1082-S1085 PolarHBondContact O-N 3.29Å; S1082-S1085 PolarHBondContact OG-N 3.39Å; S1082-S1085 PolarHBondContact OG-OG 3.07Å; L1083-S1085 VanDerWaalsContact C-N 3.33Å; L1083-S1085 PolarHBondContact O-N 2.95Å; S1085-A1088 PolarHBondContact O-N 2.72Å; S1085-E1089 WeakPolarHBondContact O-CB 3.36Å; S1085-E1089 PolarHBondContact O-N 3.48Å
1086	L	95.5	Very high	89.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-47	179.5	-62	179.5	0	0	0	111.9	F1071 L1081 S1082 L1083 A1088 E1089 Y1090 L1114	F1071-L1086 HydrophobicContact CB-CD1 4.05Å; F1071-L1086 HydrophobicContact CB-CD2 3.46Å; F1071-L1086 VanDerWaalsContact CB-CD2 3.46Å; F1071-L1086 HydrophobicContact CB-CG 4.42Å; F1071-L1086 HydrophobicContact CD1-CD2 4.29Å; F1071-L1086 HydrophobicContact CD2-CD1 4.34Å; F1071-L1086 HydrophobicContact CG-CD1 4.35Å; F1071-L1086 HydrophobicContact CG-CD2 3.95Å; L1081-L1086 HydrophobicContact CB-CD2 3.74Å; L1081-L1086 HydrophobicContact CB-CG 4.13Å; L1081-L1086 HydrophobicContact CD1-CD2 3.68Å; L1081-L1086 HydrophobicContact CG-CD2 4.31Å; S1082-L1086 PolarHBondContact O-N 3.24Å; L1083-L1086 WeakPolarHBondContact O-CB 3.44Å; L1083-L1086 PolarHBondContact O-N 3Å; L1083-L1086 VanDerWaalsContact O-N 3.11Å; L1086-A1088 VanDerWaalsContact C-N 3.32Å; L1086-A1088 PolarHBondContact O-N 3.49Å; L1086-E1089 PolarHBondContact O-N 3.44Å; L1086-Y1090 HydrophobicContact CB-CD2 4.4Å; L1086-Y1090 HydrophobicContact CD2-CD2 4.25Å; L1086-Y1090 HydrophobicContact CD2-CE2 3.82Å; L1086-Y1090 VanDerWaalsContact O-CD2 3.31Å; L1086-Y1090 WeakPolarHBondContact O-CD2 3.48Å; L1086-Y1090 PolarHBondContact O-N 2.71Å; L1086-L1114 HydrophobicContact CB-CD1 3.68Å; L1086-L1114 HydrophobicContact CB-CD2 4.07Å; L1086-L1114 HydrophobicContact CD1-CD1 4.2Å
1087	T	94.3	Very high	88.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-34.3	178	64.4	0	0	0	0	112.2	L1083 N1084 L1091 R1092 R1093 I1095 A1110 L1114	L1083-T1087 WeakPolarHBondContact O-CG2 3.37Å; L1083-T1087 PolarHBondContact O-N 3.03Å; L1083-T1087 PolarHBondContact O-OG1 2.78Å; N1084-T1087 PolarHBondContact O-OG1 3Å; T1087-L1091 HydrophobicContact CG2-CD1 4.09Å; T1087-L1091 CarbonylContact O-C 3.57Å; T1087-L1091 VanDerWaalsContact O-C 3.32Å; T1087-L1091 WeakPolarHBondContact O-CA 3.2Å; T1087-L1091 WeakPolarHBondContact O-CB 3.48Å; T1087-L1091 PolarHBondContact O-N 3.11Å; T1087-L1091 VanDerWaalsContact O-N 3.1Å; T1087-R1092 PolarHBondContact O-N 3.29Å; T1087-R1093 CarbonylContact C-O 3.35Å; T1087-R1093 WeakPolarHBondContact CB-O 3.45Å; T1087-R1093 PolarHBondContact O-N 2.99Å; T1087-R1093 VanDerWaalsContact O-O 3.12Å; T1087-R1093 PolarHBondContact OG1-O 2.96Å; T1087-I1095 HydrophobicContact CG2-CD1 3.97Å; T1087-I1095 HydrophobicContact CG2-CG1 4.43Å; T1087-I1095 HydrophobicContact CG2-CG2 4.23Å; T1087-A1110 HydrophobicContact CG2-CB 3.68Å; T1087-L1114 HydrophobicContact CG2-CD1 4.19Å
1088	A	90.8	Very high	87.9	Confident	38 Å²	38	50.4 Å²	50.4	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-72.2	-35	177	0	0	0	0	0	112.7	N1084 S1085 L1086 R1092 R1093	N1084-A1088 VanDerWaalsContact O-CB 3.23Å; N1084-A1088 WeakPolarHBondContact O-CB 3.32Å; N1084-A1088 PolarHBondContact O-N 2.71Å; N1084-A1088 VanDerWaalsContact O-N 3.11Å; S1085-A1088 PolarHBondContact O-N 2.72Å; L1086-A1088 VanDerWaalsContact C-N 3.32Å; L1086-A1088 PolarHBondContact O-N 3.49Å; A1088-R1092 WeakPolarHBondContact O-CD 3.45Å; A1088-R1093 PolarHBondContact N-O 3.09Å; A1088-R1093 VanDerWaalsContact N-O 3.16Å
1089	E	92.1	Very high	87.2	Confident	70 Å²	70	49.9 Å²	49.9	33%	0.327	26%	0.259	S	S	.	.	H	α-helix	trans	-77.6	-50.9	177.5	-171.1	160.5	176.7	0	0	112	R1074 S1085 L1086 R1092	R1074-E1089 IonicContact NH2-OE1 2.67Å; S1085-E1089 WeakPolarHBondContact O-CB 3.36Å; S1085-E1089 PolarHBondContact O-N 3.48Å; L1086-E1089 PolarHBondContact O-N 3.44Å; E1089-R1092 PolarHBondContact O-NE 2.97Å; E1089-R1092 PolarHBondContact O-NH1 3Å; E1089-R1092 PolarHBondContact O-NH2 3.2Å
1090	Y	92.6	Very high	86.1	Confident	64 Å²	64	50.9 Å²	50.9	25%	0.251	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-48.8	-171.5	-59.2	-67.9	0	0	0	113.6	F1071 L1086 L1114 W1117	F1071-Y1090 AromaticContact CD1-CD2 3.75Å; F1071-Y1090 HydrophobicContact CD1-CD2 3.75Å; F1071-Y1090 HydrophobicContact CD1-CE1 4.47Å; F1071-Y1090 AromaticContact CD1-CE2 3.31Å; F1071-Y1090 HydrophobicContact CD1-CE2 3.31Å; F1071-Y1090 HydrophobicContact CD1-CG 4.49Å; F1071-Y1090 AromaticContact CD1-CZ 3.72Å; F1071-Y1090 HydrophobicContact CE1-CD1 4.36Å; F1071-Y1090 AromaticContact CE1-CD2 3.63Å; F1071-Y1090 HydrophobicContact CE1-CD2 3.63Å; F1071-Y1090 HydrophobicContact CE1-CE1 4.37Å; F1071-Y1090 AromaticContact CE1-CE2 3.67Å; F1071-Y1090 HydrophobicContact CE1-CE2 3.67Å; F1071-Y1090 HydrophobicContact CE1-CG 4Å; F1071-Y1090 HydrophobicContact CG-CE2 4.29Å; L1086-Y1090 HydrophobicContact CB-CD2 4.4Å; L1086-Y1090 HydrophobicContact CD2-CD2 4.25Å; L1086-Y1090 HydrophobicContact CD2-CE2 3.82Å; L1086-Y1090 VanDerWaalsContact O-CD2 3.31Å; L1086-Y1090 WeakPolarHBondContact O-CD2 3.48Å; L1086-Y1090 PolarHBondContact O-N 2.71Å; Y1090-L1114 HydrophobicContact CD2-CD2 4.26Å; Y1090-W1117 HydrophobicContact CD1-CE3 4.15Å; Y1090-W1117 AromaticContact CD1-CH2 3.37Å; Y1090-W1117 HydrophobicContact CD1-CH2 3.37Å; Y1090-W1117 AromaticContact CD1-CZ2 3.89Å; Y1090-W1117 HydrophobicContact CD1-CZ2 3.89Å; Y1090-W1117 AromaticContact CD1-CZ3 3.5Å; Y1090-W1117 HydrophobicContact CD1-CZ3 3.5Å; Y1090-W1117 VanDerWaalsContact CD1-CZ3 3.5Å; Y1090-W1117 AromaticContact CE1-CH2 3.96Å; Y1090-W1117 HydrophobicContact CE1-CH2 3.96Å; Y1090-W1117 HydrophobicContact CE1-CZ3 4.06Å; Y1090-W1117 HydrophobicContact CG-CE3 4.26Å; Y1090-W1117 HydrophobicContact CG-CH2 4.25Å; Y1090-W1117 HydrophobicContact CG-CZ3 4.05Å
1091	L	91.1	Very high	85.6	Confident	40 Å²	40	47.3 Å²	47.3	21%	0.209	26%	0.256	C	S	.	.	S	Bend	trans	-86	-8.6	-178.5	-52.9	-176.4	0	0	0	113.6	T1087 R1093 E1113 L1114 W1117	T1087-L1091 HydrophobicContact CG2-CD1 4.09Å; T1087-L1091 CarbonylContact O-C 3.57Å; T1087-L1091 VanDerWaalsContact O-C 3.32Å; T1087-L1091 WeakPolarHBondContact O-CA 3.2Å; T1087-L1091 WeakPolarHBondContact O-CB 3.48Å; T1087-L1091 PolarHBondContact O-N 3.11Å; T1087-L1091 VanDerWaalsContact O-N 3.1Å; L1091-R1093 HydrophobicContact CB-CB 4.36Å; L1091-R1093 PolarHBondContact O-N 3.06Å; L1091-R1093 VanDerWaalsContact O-N 3.16Å; L1091-E1113 HydrophobicContact CD1-CB 3.62Å; L1091-E1113 HydrophobicContact CD2-CB 4.45Å; L1091-L1114 HydrophobicContact CD1-CD2 4.21Å; L1091-L1114 HydrophobicContact CD1-CG 4.05Å; L1091-L1114 HydrophobicContact CD2-CD2 4.32Å; L1091-L1114 HydrophobicContact CG-CD2 3.88Å; L1091-L1114 HydrophobicContact CG-CG 4.28Å; L1091-W1117 HydrophobicContact CD2-CB 3.83Å; L1091-W1117 HydrophobicContact CD2-CG 4.06Å
1092	R	88.4	Confident	85.2	Confident	194 Å²	194	48.4 Å²	48.4	73%	0.732	26%	0.26	S	S	*	.			trans	53.1	27	-170.8	-51.8	-54.8	-176	-173.7	-5.7	113.7	T1087 A1088 E1089	T1087-R1092 PolarHBondContact O-N 3.29Å; A1088-R1092 WeakPolarHBondContact O-CD 3.45Å; E1089-R1092 PolarHBondContact O-NE 2.97Å; E1089-R1092 PolarHBondContact O-NH1 3Å; E1089-R1092 PolarHBondContact O-NH2 3.2Å
1093	R	85.4	Confident	85	Confident	22 Å²	22	47.8 Å²	47.8	8%	0.083	25%	0.252	C	S	.	.			trans	-112.7	127.8	177.6	-179.6	172	80.7	-155.8	12.9	109.7	K795 T1087 A1088 L1091 I1095 E1113	K795-R1093 VanDerWaalsContact NZ-NH1 3.11Å; T1087-R1093 CarbonylContact C-O 3.35Å; T1087-R1093 WeakPolarHBondContact CB-O 3.45Å; T1087-R1093 PolarHBondContact O-N 2.99Å; T1087-R1093 VanDerWaalsContact O-O 3.12Å; T1087-R1093 PolarHBondContact OG1-O 2.96Å; A1088-R1093 PolarHBondContact N-O 3.09Å; A1088-R1093 VanDerWaalsContact N-O 3.16Å; L1091-R1093 HydrophobicContact CB-CB 4.36Å; L1091-R1093 PolarHBondContact O-N 3.06Å; L1091-R1093 VanDerWaalsContact O-N 3.16Å; R1093-I1095 HydrophobicContact CG-CG2 4.2Å; R1093-E1113 IonicContact CZ-OE1 2.67Å; R1093-E1113 IonicContact CZ-OE2 3.64Å; R1093-E1113 IonicContact NH1-OE1 2.61Å; R1093-E1113 PolarHBondContact NH1-OE1 3.08Å; R1093-E1113 IonicContact NH1-OE2 3.24Å; R1093-E1113 PolarHBondContact NH1-OE2 3.08Å; R1093-E1113 IonicContact NH2-OE1 3.99Å; R1093-E1113 PolarHBondContact NH2-OE1 2.99Å; R1093-E1113 IonicContact NH2-OE2 3.23Å
1094	I	83.3	Confident	84.9	Confident	37 Å²	37	47.5 Å²	47.5	19%	0.19	25%	0.25	C	S	.	.			trans	-88.2	129.3	165.3	-47.2	-178.3	0	0	0	107.8	K785 S788 N792 N1084 E1097	K785-I1094 HydrophobicContact CD-CD1 4.03Å; S788-I1094 WeakPolarHBondContact OG-CD1 3.34Å; S788-I1094 WeakPolarHBondContact OG-CG1 3.46Å; N792-I1094 PolarHBondContact ND2-O 2.92Å; N1084-I1094 WeakPolarHBondContact OD1-CG2 3.49Å; I1094-E1097 HydrophobicContact CB-CG 4.1Å; I1094-E1097 HydrophobicContact CG2-CG 3.59Å
1095	I	85.4	Confident	84.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.			trans	-106.7	178.5	174.8	58.1	172.5	0	0	0	110.1	L1083 N1084 T1087 R1093 E1097 E1106 A1110	L1083-I1095 HydrophobicContact CB-CD1 4.21Å; L1083-I1095 HydrophobicContact CD2-CD1 3.76Å; L1083-I1095 HydrophobicContact CG-CD1 3.63Å; N1084-I1095 HydrophobicContact CB-CG1 4.23Å; N1084-I1095 PolarHBondContact ND2-O 2.99Å; T1087-I1095 HydrophobicContact CG2-CD1 3.97Å; T1087-I1095 HydrophobicContact CG2-CG1 4.43Å; T1087-I1095 HydrophobicContact CG2-CG2 4.23Å; R1093-I1095 HydrophobicContact CG-CG2 4.2Å; I1095-E1097 PolarHBondContact O-N 3.3Å; I1095-E1106 HydrophobicContact CB-CG 4.08Å; I1095-E1106 HydrophobicContact CG2-CG 3.84Å; I1095-A1110 HydrophobicContact CD1-CB 4.3Å
1096	Q	81.3	Confident	84.9	Confident	44 Å²	44	47.4 Å²	47.4	21%	0.206	25%	0.248	C	C	.	.			trans	55.8	21.3	170.5	-54.2	162	-24.7	0	0	114	N1084 S1098 H1102 E1106 D1107	N1084-Q1096 PolarHBondContact ND2-OE1 3.47Å; Q1096-S1098 PolarHBondContact O-N 2.81Å; Q1096-S1098 VanDerWaalsContact O-N 3.12Å; Q1096-H1102 HydrophobicContact CG-CB 4.41Å; Q1096-H1102 PolarHBondContact NE2-CE1 3.42Å; Q1096-H1102 PolarHBondContact NE2-ND1 2.89Å; Q1096-E1106 PolarHBondContact N-OE2 2.93Å; Q1096-D1107 WeakPolarHBondContact CG-OD1 3.39Å; Q1096-D1107 WeakPolarHBondContact CG-OD2 3.44Å; Q1096-D1107 PolarHBondContact NE2-OD2 3.24Å
1097	E	71.6	Confident	84.9	Confident	31 Å²	31	47.6 Å²	47.6	15%	0.145	25%	0.249	C	C	.	.			trans	-73.7	-1.8	-178.5	-57.4	-169.7	115.5	0	0	113	R779 K785 I789 N792 I1094 I1095	R779-E1097 PolarHBondContact NE-O 2.67Å; R779-E1097 PolarHBondContact NH2-O 2.88Å; K785-E1097 VanDerWaalsContact CE-OE1 3.27Å; K785-E1097 WeakPolarHBondContact CE-OE1 3.44Å; K785-E1097 IonicContact NZ-OE1 3.94Å; K785-E1097 PolarHBondContact NZ-OE1 3.25Å; I789-E1097 WeakPolarHBondContact CA-OE2 3.36Å; I789-E1097 WeakPolarHBondContact CG1-OE1 3.49Å; I789-E1097 WeakPolarHBondContact CG1-OE2 3.5Å; N792-E1097 PolarHBondContact ND2-OE2 3.34Å; I1094-E1097 HydrophobicContact CB-CG 4.1Å; I1094-E1097 HydrophobicContact CG2-CG 3.59Å; I1095-E1097 PolarHBondContact O-N 3.3Å
1098	S	69.6	Low	85	Confident	57 Å²	57	47.6 Å²	47.6	40%	0.399	25%	0.249	S	C	.	.			trans	-68.6	144	-175.6	168	0	0	0	0	111.6	Q1096 C1100 G1101	Q1096-S1098 PolarHBondContact O-N 2.81Å; Q1096-S1098 VanDerWaalsContact O-N 3.12Å; S1098-C1100 VanDerWaalsContact C-N 3.34Å; S1098-C1100 PolarHBondContact OG-N 3.5Å; S1098-G1101 WeakPolarHBondContact CB-O 3.29Å; S1098-G1101 PolarHBondContact OG-O 3.14Å
1099	V	65.9	Low	85.2	Confident	116 Å²	116	46.5 Å²	46.5	70%	0.703	24%	0.24	S	C	*	.	S	Bend	trans	-84.8	-18.6	172.8	-172.1	0	0	0	0	110.7	R779 G1101	R779-V1099 HydrophobicContact CG-CG2 4.41Å; V1099-G1101 VanDerWaalsContact C-N 3.35Å; V1099-G1101 PolarHBondContact O-N 2.92Å
1100	C	65	Low	85.4	Confident	95 Å²	95	43.1 Å²	43.1	64%	0.642	22%	0.224	S	C	*	.	S	Bend	trans	-100.5	45.3	-178.5	-50.3	0	0	0	0	110.4	G1015 S1098	G1015-C1100 WeakPolarHBondContact CA-O 3.49Å; S1098-C1100 VanDerWaalsContact C-N 3.34Å; S1098-C1100 PolarHBondContact OG-N 3.5Å
1101	G	80.4	Confident	85.7	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.01	21%	0.212	C	C	.	.			trans	63.2	-175.5	-175.8	0	0	0	0	0	115.5	R1012 F1013 S1098 V1099	R1012-G1101 WeakPolarHBondContact O-CA 3.5Å; F1013-G1101 CarbonylContact O-C 3.6Å; F1013-G1101 VanDerWaalsContact O-CA 3.31Å; F1013-G1101 WeakPolarHBondContact O-CA 3.44Å; S1098-G1101 WeakPolarHBondContact CB-O 3.29Å; S1098-G1101 PolarHBondContact OG-O 3.14Å; V1099-G1101 VanDerWaalsContact C-N 3.35Å; V1099-G1101 PolarHBondContact O-N 2.92Å
1102	H	84.9	Confident	86	Confident	54 Å²	54	38.2 Å²	38.2	25%	0.25	20%	0.202	C	C	.	.			trans	-74.8	-173.7	-177.6	-61.5	-172.9	0	0	0	111.3	F1013 Q1096 D1107	F1013-H1102 WeakPolarHBondContact O-CB 3.45Å; F1013-H1102 PolarHBondContact O-CD2 3.25Å; F1013-H1102 VanDerWaalsContact O-CG 3.25Å; F1013-H1102 PolarHBondContact O-N 2.89Å; Q1096-H1102 HydrophobicContact CG-CB 4.41Å; Q1096-H1102 PolarHBondContact NE2-CE1 3.42Å; Q1096-H1102 PolarHBondContact NE2-ND1 2.89Å; H1102-D1107 IonicContact CG-OD2 2.78Å; H1102-D1107 IonicContact ND1-OD2 2.73Å
1103	D	88.5	Confident	86.3	Confident	44 Å²	44	31.1 Å²	31.1	24%	0.235	18%	0.178	C	C	.	.			trans	-147.4	111.4	169.4	-166.1	52.1	0	0	0	107.9	K816 R984 G1105 E1106 D1107	K816-D1103 IonicContact NZ-OD1 2.71Å; K816-D1103 PolarHBondContact NZ-OD1 2.91Å; R984-D1103 IonicContact CZ-OD1 2.67Å; R984-D1103 IonicContact NH1-OD1 3.54Å; R984-D1103 PolarHBondContact NH1-OD1 3.28Å; R984-D1103 IonicContact NH2-OD1 2.66Å; R984-D1103 PolarHBondContact NH2-OD1 3.18Å; D1103-G1105 PolarHBondContact O-N 3.39Å; D1103-E1106 HydrophobicContact CB-CB 4.43Å; D1103-E1106 WeakPolarHBondContact O-CA 3.44Å; D1103-E1106 WeakPolarHBondContact O-CB 3.4Å; D1103-E1106 PolarHBondContact O-N 3.15Å; D1103-D1107 PolarHBondContact O-N 2.83Å; D1103-D1107 VanDerWaalsContact O-N 3.15Å
1104	T	91.9	Very high	86.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-50.4	-27	178.7	44.7	0	0	0	0	113.6	D970 E972 R984 T986 A1108	D970-T1104 HydrophobicContact CB-CG2 4.33Å; D970-T1104 WeakPolarHBondContact O-CG2 3.18Å; D970-T1104 VanDerWaalsContact OD2-CA 3.3Å; D970-T1104 WeakPolarHBondContact OD2-CA 3.47Å; D970-T1104 VanDerWaalsContact OD2-CG2 3.23Å; D970-T1104 WeakPolarHBondContact OD2-CG2 3.09Å; E972-T1104 HydrophobicContact CG-CG2 3.69Å; R984-T1104 PolarHBondContact NE-OG1 2.89Å; R984-T1104 PolarHBondContact NH1-OG1 2.88Å; T986-T1104 WeakPolarHBondContact OG1-CB 3.43Å; T986-T1104 PolarHBondContact OG1-OG1 3.04Å; T1104-A1108 WeakPolarHBondContact O-CB 3.46Å; T1104-A1108 PolarHBondContact O-N 2.96Å
1105	G	92.2	Very high	87.6	Confident	18 Å²	18	28.3 Å²	28.3	19%	0.186	17%	0.165	C	C	.	.	H	α-helix	trans	-71.9	-28.6	172.1	0	0	0	0	0	115.7	I988 D1103 A1109	I988-G1105 WeakPolarHBondContact CD1-O 3.24Å; D1103-G1105 PolarHBondContact O-N 3.39Å; G1105-A1109 VanDerWaalsContact O-CB 3.25Å; G1105-A1109 WeakPolarHBondContact O-CB 3.47Å
1106	E	92.9	Very high	88	Confident	71 Å²	71	31.4 Å²	31.4	33%	0.332	18%	0.181	S	C	.	.	H	α-helix	trans	-77.9	-39.7	170.2	177.5	163.6	-106.2	0	0	110.8	I1095 Q1096 D1103 A1110	I1095-E1106 HydrophobicContact CB-CG 4.08Å; I1095-E1106 HydrophobicContact CG2-CG 3.84Å; Q1096-E1106 PolarHBondContact N-OE2 2.93Å; D1103-E1106 HydrophobicContact CB-CB 4.43Å; D1103-E1106 WeakPolarHBondContact O-CA 3.44Å; D1103-E1106 WeakPolarHBondContact O-CB 3.4Å; D1103-E1106 PolarHBondContact O-N 3.15Å; E1106-A1110 WeakPolarHBondContact O-CB 3.06Å; E1106-A1110 PolarHBondContact O-N 3.34Å
1107	D	95.3	Very high	88.7	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-80.5	-44.5	-171.1	-69.9	-1.7	0	0	0	112	L1083 Q1096 H1102 D1103 A1109 A1110 C1111	L1083-D1107 HydrophobicContact CD2-CB 3.81Å; Q1096-D1107 WeakPolarHBondContact CG-OD1 3.39Å; Q1096-D1107 WeakPolarHBondContact CG-OD2 3.44Å; Q1096-D1107 PolarHBondContact NE2-OD2 3.24Å; H1102-D1107 IonicContact CG-OD2 2.78Å; H1102-D1107 IonicContact ND1-OD2 2.73Å; D1103-D1107 PolarHBondContact O-N 2.83Å; D1103-D1107 VanDerWaalsContact O-N 3.15Å; D1107-A1109 VanDerWaalsContact C-N 3.28Å; D1107-A1109 PolarHBondContact O-N 2.83Å; D1107-A1110 WeakPolarHBondContact O-CB 3.34Å; D1107-A1110 PolarHBondContact O-N 2.99Å; D1107-A1110 VanDerWaalsContact O-N 3.12Å; D1107-C1111 PolarHBondContact O-N 3.29Å; D1107-C1111 PolarHBondContact O-SG 3.14Å
1108	A	96.6	Very high	89.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-38	169	0	0	0	0	0	112.1	S968 D970 I988 T1104 C1111 M1112	S968-A1108 WeakPolarHBondContact CB-O 3.18Å; S968-A1108 PolarHBondContact OG-O 3.11Å; D970-A1108 HydrophobicContact CB-CB 3.72Å; I988-A1108 HydrophobicContact CD1-CB 3.94Å; I988-A1108 HydrophobicContact CG1-CB 4.16Å; T1104-A1108 WeakPolarHBondContact O-CB 3.46Å; T1104-A1108 PolarHBondContact O-N 2.96Å; A1108-C1111 PolarHBondContact O-N 3.25Å; A1108-M1112 PolarHBondContact O-N 3.14Å
1109	A	95.7	Very high	91	Very high	14 Å²	14	32.1 Å²	32.1	12%	0.116	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-34.9	176.6	0	0	0	0	0	111.9	I988 G1105 D1107 E1113	I988-A1109 HydrophobicContact CD1-CB 3.91Å; G1105-A1109 VanDerWaalsContact O-CB 3.25Å; G1105-A1109 WeakPolarHBondContact O-CB 3.47Å; D1107-A1109 VanDerWaalsContact C-N 3.28Å; D1107-A1109 PolarHBondContact O-N 2.83Å; A1109-E1113 WeakPolarHBondContact O-CB 3.48Å; A1109-E1113 WeakPolarHBondContact O-CG 3.45Å; A1109-E1113 PolarHBondContact O-N 3.01Å
1110	A	96.5	Very high	92.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-40.7	173.1	0	0	0	0	0	112.3	L1083 T1087 I1095 E1106 D1107 E1113 L1114	L1083-A1110 HydrophobicContact CD1-CB 4.35Å; L1083-A1110 HydrophobicContact CD2-CB 4.25Å; L1083-A1110 HydrophobicContact CG-CB 4.39Å; T1087-A1110 HydrophobicContact CG2-CB 3.68Å; I1095-A1110 HydrophobicContact CD1-CB 4.3Å; E1106-A1110 WeakPolarHBondContact O-CB 3.06Å; E1106-A1110 PolarHBondContact O-N 3.34Å; D1107-A1110 WeakPolarHBondContact O-CB 3.34Å; D1107-A1110 PolarHBondContact O-N 2.99Å; D1107-A1110 VanDerWaalsContact O-N 3.12Å; A1110-E1113 PolarHBondContact O-N 3.24Å; A1110-L1114 WeakPolarHBondContact O-CB 3.16Å; A1110-L1114 WeakPolarHBondContact O-CG 3.35Å; A1110-L1114 PolarHBondContact O-N 3.27Å
1111	C	97.6	Very high	93.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-46	177.1	-61.6	0	0	0	0	112	V1046 T1067 D1107 A1108 L1114 M1115	V1046-C1111 HydrophobicContact CG1-CB 4.34Å; T1067-C1111 HydrophobicContact CG2-CB 4.27Å; D1107-C1111 PolarHBondContact O-N 3.29Å; D1107-C1111 PolarHBondContact O-SG 3.14Å; A1108-C1111 PolarHBondContact O-N 3.25Å; C1111-L1114 PolarHBondContact O-N 3.06Å; C1111-M1115 PolarHBondContact O-N 2.69Å; C1111-M1115 VanDerWaalsContact O-N 3.16Å
1112	M	96.9	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-44.4	175.7	-173.4	66.3	68.4	0	0	112.1	V966 L992 V1046 A1108 L1114 M1115 L1116	V966-M1112 HydrophobicContact CG1-CE 3.99Å; V966-M1112 HydrophobicContact CG1-SD 4.48Å; L992-M1112 HydrophobicContact CD2-CB 3.69Å; L992-M1112 HydrophobicContact CD2-CG 3.59Å; V1046-M1112 HydrophobicContact CG2-CE 4.26Å; A1108-M1112 PolarHBondContact O-N 3.14Å; M1112-L1114 VanDerWaalsContact C-N 3.3Å; M1112-L1114 PolarHBondContact O-N 3.28Å; M1112-M1115 PolarHBondContact O-N 2.91Å; M1112-L1116 HydrophobicContact CG-CD1 4.05Å; M1112-L1116 HydrophobicContact CG-CG 4.47Å; M1112-L1116 WeakPolarHBondContact O-CG 3.42Å; M1112-L1116 PolarHBondContact O-N 3.11Å
1113	E	96.4	Very high	94.1	Very high	46 Å²	46	33 Å²	33	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-37.8	175.5	-78.7	-178.4	-136	0	0	112.6	L992 L1091 R1093 A1109 A1110 W1117	L992-E1113 HydrophobicContact CD1-CG 3.76Å; L992-E1113 HydrophobicContact CD2-CG 4.18Å; L1091-E1113 HydrophobicContact CD1-CB 3.62Å; L1091-E1113 HydrophobicContact CD2-CB 4.45Å; R1093-E1113 IonicContact CZ-OE1 2.67Å; R1093-E1113 IonicContact CZ-OE2 3.64Å; R1093-E1113 IonicContact NH1-OE1 2.61Å; R1093-E1113 PolarHBondContact NH1-OE1 3.08Å; R1093-E1113 IonicContact NH1-OE2 3.24Å; R1093-E1113 PolarHBondContact NH1-OE2 3.08Å; R1093-E1113 IonicContact NH2-OE1 3.99Å; R1093-E1113 PolarHBondContact NH2-OE1 2.99Å; R1093-E1113 IonicContact NH2-OE2 3.23Å; A1109-E1113 WeakPolarHBondContact O-CB 3.48Å; A1109-E1113 WeakPolarHBondContact O-CG 3.45Å; A1109-E1113 PolarHBondContact O-N 3.01Å; A1110-E1113 PolarHBondContact O-N 3.24Å; E1113-W1117 WeakPolarHBondContact O-CB 3.38Å; E1113-W1117 PolarHBondContact O-N 2.95Å
1114	L	97.7	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-42.8	176.2	-79.7	168	0	0	0	112.4	T1067 F1071 L1083 L1086 T1087 Y1090 L1091 A1110 C1111 M1112 W1117 K1118	T1067-L1114 HydrophobicContact CG2-CB 4.37Å; F1071-L1114 HydrophobicContact CE2-CB 4.04Å; F1071-L1114 HydrophobicContact CZ-CB 4.21Å; F1071-L1114 HydrophobicContact CZ-CD2 4.2Å; L1083-L1114 HydrophobicContact CD1-CD1 3.58Å; L1086-L1114 HydrophobicContact CB-CD1 3.68Å; L1086-L1114 HydrophobicContact CB-CD2 4.07Å; L1086-L1114 HydrophobicContact CD1-CD1 4.2Å; T1087-L1114 HydrophobicContact CG2-CD1 4.19Å; Y1090-L1114 HydrophobicContact CD2-CD2 4.26Å; L1091-L1114 HydrophobicContact CD1-CD2 4.21Å; L1091-L1114 HydrophobicContact CD1-CG 4.05Å; L1091-L1114 HydrophobicContact CD2-CD2 4.32Å; L1091-L1114 HydrophobicContact CG-CD2 3.88Å; L1091-L1114 HydrophobicContact CG-CG 4.28Å; A1110-L1114 WeakPolarHBondContact O-CB 3.16Å; A1110-L1114 WeakPolarHBondContact O-CG 3.35Å; A1110-L1114 PolarHBondContact O-N 3.27Å; C1111-L1114 PolarHBondContact O-N 3.06Å; M1112-L1114 VanDerWaalsContact C-N 3.3Å; M1112-L1114 PolarHBondContact O-N 3.28Å; L1114-W1117 WeakPolarHBondContact O-CB 3.21Å; L1114-W1117 PolarHBondContact O-N 2.85Å; L1114-K1118 PolarHBondContact O-N 2.62Å
1115	M	97	Very high	93.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.7	-42.5	177.4	-71.5	-50.8	-55.6	0	0	112.3	L838 Y841 V1046 V1065 T1067 V1070 F1071 C1111 M1112 W1117 K1118 M1119	L838-M1115 HydrophobicContact CD2-CB 4.01Å; L838-M1115 HydrophobicContact CD2-CE 3.64Å; L838-M1115 HydrophobicContact CD2-CG 4.46Å; Y841-M1115 HydrophobicContact CD1-CE 3.91Å; Y841-M1115 HydrophobicContact CD2-CE 4.31Å; Y841-M1115 HydrophobicContact CE1-CE 4.4Å; Y841-M1115 HydrophobicContact CG-CE 3.85Å; V1046-M1115 HydrophobicContact CG1-CB 4.43Å; V1046-M1115 HydrophobicContact CG1-CG 3.62Å; V1065-M1115 HydrophobicContact CG1-CE 3.71Å; V1065-M1115 HydrophobicContact CG1-CG 4.13Å; V1065-M1115 HydrophobicContact CG1-SD 3.85Å; T1067-M1115 HydrophobicContact CG2-CG 3.96Å; T1067-M1115 HydrophobicContact CG2-SD 4.03Å; V1070-M1115 HydrophobicContact CB-SD 4.19Å; V1070-M1115 HydrophobicContact CG1-CE 4.03Å; V1070-M1115 HydrophobicContact CG1-SD 3.84Å; V1070-M1115 HydrophobicContact CG2-CE 4.34Å; V1070-M1115 HydrophobicContact CG2-SD 4.19Å; F1071-M1115 HydrophobicContact CE2-SD 4.4Å; C1111-M1115 PolarHBondContact O-N 2.69Å; C1111-M1115 VanDerWaalsContact O-N 3.16Å; M1112-M1115 PolarHBondContact O-N 2.91Å; M1115-W1117 PolarHBondContact O-N 3.07Å; M1115-K1118 PolarHBondContact O-N 2.68Å; M1115-K1118 VanDerWaalsContact O-N 3.14Å; M1115-M1119 WeakPolarHBondContact O-CG 3.47Å; M1115-M1119 PolarHBondContact O-N 2.96Å
1116	L	94.4	Very high	91.7	Very high	64 Å²	64	50.3 Å²	50.3	34%	0.335	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-34.9	173.1	-68.6	171.6	0	0	0	112	L834 M1112 K1120	L834-L1116 HydrophobicContact CD1-CD2 3.69Å; L834-L1116 HydrophobicContact CD2-CD2 4.47Å; M1112-L1116 HydrophobicContact CG-CD1 4.05Å; M1112-L1116 HydrophobicContact CG-CG 4.47Å; M1112-L1116 WeakPolarHBondContact O-CG 3.42Å; M1112-L1116 PolarHBondContact O-N 3.11Å; L1116-K1120 WeakPolarHBondContact O-CB 3.42Å; L1116-K1120 PolarHBondContact O-N 3Å
1117	W	95.8	Very high	89.4	Confident	73 Å²	73	58.6 Å²	58.6	28%	0.277	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-48	171.4	-178.5	96.5	0	0	0	111.8	F1071 Y1090 L1091 E1113 L1114 M1115 M1119 K1120 E1121	F1071-W1117 HydrophobicContact CE1-CE3 4.18Å; F1071-W1117 HydrophobicContact CE1-CZ3 4.1Å; F1071-W1117 HydrophobicContact CZ-CE3 4.3Å; Y1090-W1117 HydrophobicContact CD1-CE3 4.15Å; Y1090-W1117 AromaticContact CD1-CH2 3.37Å; Y1090-W1117 HydrophobicContact CD1-CH2 3.37Å; Y1090-W1117 AromaticContact CD1-CZ2 3.89Å; Y1090-W1117 HydrophobicContact CD1-CZ2 3.89Å; Y1090-W1117 AromaticContact CD1-CZ3 3.5Å; Y1090-W1117 HydrophobicContact CD1-CZ3 3.5Å; Y1090-W1117 VanDerWaalsContact CD1-CZ3 3.5Å; Y1090-W1117 AromaticContact CE1-CH2 3.96Å; Y1090-W1117 HydrophobicContact CE1-CH2 3.96Å; Y1090-W1117 HydrophobicContact CE1-CZ3 4.06Å; Y1090-W1117 HydrophobicContact CG-CE3 4.26Å; Y1090-W1117 HydrophobicContact CG-CH2 4.25Å; Y1090-W1117 HydrophobicContact CG-CZ3 4.05Å; L1091-W1117 HydrophobicContact CD2-CB 3.83Å; L1091-W1117 HydrophobicContact CD2-CG 4.06Å; E1113-W1117 WeakPolarHBondContact O-CB 3.38Å; E1113-W1117 PolarHBondContact O-N 2.95Å; L1114-W1117 WeakPolarHBondContact O-CB 3.21Å; L1114-W1117 PolarHBondContact O-N 2.85Å; M1115-W1117 PolarHBondContact O-N 3.07Å; W1117-M1119 PolarHBondContact O-N 3.04Å; W1117-K1120 WeakPolarHBondContact O-CB 3.46Å; W1117-K1120 PolarHBondContact O-N 3.28Å; W1117-K1120 VanDerWaalsContact O-N 3.13Å; W1117-E1121 HydrophobicContact CH2-CB 4.09Å; W1117-E1121 HydrophobicContact CH2-CG 3.84Å; W1117-E1121 HydrophobicContact CZ2-CB 4.4Å; W1117-E1121 HydrophobicContact CZ2-CG 4.13Å; W1117-E1121 HydrophobicContact CZ3-CB 4.21Å; W1117-E1121 HydrophobicContact CZ3-CG 4.43Å; W1117-E1121 PolarHBondContact O-N 3.23Å
1118	K	95.8	Very high	89.1	Confident	44 Å²	44	61.3 Å²	61.3	19%	0.191	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-47.7	-178.9	-172	65.9	169.2	74.4	0	111.8	Y841 V1070 F1071 L1114 M1115 K1120 E1121 D1122	Y841-K1118 HydrophobicContact CE1-CG 4.04Å; V1070-K1118 HydrophobicContact CG1-CG 4.13Å; F1071-K1118 HydrophobicContact CE1-CD 4.08Å; F1071-K1118 HydrophobicContact CE2-CB 4.48Å; F1071-K1118 HydrophobicContact CZ-CB 3.91Å; F1071-K1118 HydrophobicContact CZ-CD 4.12Å; F1071-K1118 HydrophobicContact CZ-CG 4.33Å; L1114-K1118 PolarHBondContact O-N 2.62Å; M1115-K1118 PolarHBondContact O-N 2.68Å; M1115-K1118 VanDerWaalsContact O-N 3.14Å; K1118-K1120 VanDerWaalsContact C-N 3.27Å; K1118-K1120 PolarHBondContact O-N 3.13Å; K1118-E1121 PolarHBondContact O-N 3.49Å; K1118-E1121 VanDerWaalsContact O-N 3.13Å; K1118-D1122 IonicContact NZ-OD1 3.36Å; K1118-D1122 PolarHBondContact NZ-OD1 2.8Å; K1118-D1122 IonicContact NZ-OD2 3.48Å; K1118-D1122 PolarHBondContact NZ-OD2 3.1Å; K1118-D1122 PolarHBondContact O-N 3.3Å
1119	M	92.8	Very high	88.7	Confident	31 Å²	31	64.5 Å²	64.5	15%	0.153	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-40.6	175.4	-70.2	171.4	51.9	0	0	112.5	L834 I837 L838 Y841 M1115 W1117 G1123	L834-M1119 HydrophobicContact CD1-CE 3.56Å; L834-M1119 HydrophobicContact CD1-SD 3.56Å; L834-M1119 VanDerWaalsContact CD1-SD 3.56Å; I837-M1119 HydrophobicContact CB-CE 3.84Å; I837-M1119 HydrophobicContact CD1-CE 3.94Å; I837-M1119 HydrophobicContact CG2-CE 3.7Å; I837-M1119 HydrophobicContact CG2-CG 3.86Å; I837-M1119 HydrophobicContact CG2-SD 4.18Å; L838-M1119 HydrophobicContact CD1-SD 4.45Å; L838-M1119 HydrophobicContact CD2-CG 4.24Å; L838-M1119 HydrophobicContact CD2-SD 3.56Å; L838-M1119 VanDerWaalsContact CD2-SD 3.56Å; L838-M1119 HydrophobicContact CG-SD 3.73Å; Y841-M1119 HydrophobicContact CE2-CG 4.34Å; M1115-M1119 WeakPolarHBondContact O-CG 3.47Å; M1115-M1119 PolarHBondContact O-N 2.96Å; W1117-M1119 PolarHBondContact O-N 3.04Å; M1119-G1123 PolarHBondContact O-N 2.92Å
1120	K	92.1	Very high	88.3	Confident	154 Å²	154	67.3 Å²	67.3	67%	0.67	32%	0.318	S	S	*	.	H	α-helix	trans	-69.7	-33.1	178.7	-175.8	177.4	179.2	178.4	0	112.4	L1116 W1117 K1118	L1116-K1120 WeakPolarHBondContact O-CB 3.42Å; L1116-K1120 PolarHBondContact O-N 3Å; W1117-K1120 WeakPolarHBondContact O-CB 3.46Å; W1117-K1120 PolarHBondContact O-N 3.28Å; W1117-K1120 VanDerWaalsContact O-N 3.13Å; K1118-K1120 VanDerWaalsContact C-N 3.27Å; K1118-K1120 PolarHBondContact O-N 3.13Å
1121	E	92.8	Very high	87.8	Confident	59 Å²	59	71.3 Å²	71.3	28%	0.276	34%	0.337	S	S	.	.	H	α-helix	trans	-75.1	-48.7	177.8	-153.6	61.5	-138.7	0	0	111.2	W1117 K1118 G1123 K1124 L1125	W1117-E1121 HydrophobicContact CH2-CB 4.09Å; W1117-E1121 HydrophobicContact CH2-CG 3.84Å; W1117-E1121 HydrophobicContact CZ2-CB 4.4Å; W1117-E1121 HydrophobicContact CZ2-CG 4.13Å; W1117-E1121 HydrophobicContact CZ3-CB 4.21Å; W1117-E1121 HydrophobicContact CZ3-CG 4.43Å; W1117-E1121 PolarHBondContact O-N 3.23Å; K1118-E1121 PolarHBondContact O-N 3.49Å; K1118-E1121 VanDerWaalsContact O-N 3.13Å; E1121-G1123 PolarHBondContact O-N 3.29Å; E1121-K1124 WeakPolarHBondContact O-CB 3.15Å; E1121-K1124 PolarHBondContact O-N 2.84Å; E1121-K1124 WeakPolarHBondContact OE1-CE 3.17Å; E1121-K1124 IonicContact OE1-NZ 2.69Å; E1121-K1124 PolarHBondContact OE1-NZ 3.16Å; E1121-K1124 WeakPolarHBondContact OE2-CE 3.46Å; E1121-K1124 IonicContact OE2-NZ 2.71Å; E1121-K1124 PolarHBondContact OE2-NZ 3.43Å; E1121-L1125 PolarHBondContact O-N 3.42Å
1122	D	91	Very high	87.2	Confident	33 Å²	33	75.8 Å²	75.8	18%	0.176	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-28.8	176.7	-66.8	2.3	0	0	0	111.9	Y841 K1118 K1124 L1125 K1126	Y841-D1122 PolarHBondContact OH-OD2 3.12Å; K1118-D1122 IonicContact NZ-OD1 3.36Å; K1118-D1122 PolarHBondContact NZ-OD1 2.8Å; K1118-D1122 IonicContact NZ-OD2 3.48Å; K1118-D1122 PolarHBondContact NZ-OD2 3.1Å; K1118-D1122 PolarHBondContact O-N 3.3Å; D1122-K1124 VanDerWaalsContact C-N 3.27Å; D1122-K1124 PolarHBondContact O-N 3.48Å; D1122-L1125 PolarHBondContact O-N 3.38Å; D1122-K1126 WeakPolarHBondContact O-CG 3.47Å; D1122-K1126 PolarHBondContact O-N 2.9Å
1123	G	86.9	Confident	86.6	Confident	38 Å²	38	80.8 Å²	80.8	39%	0.392	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.8	171.5	0	0	0	0	0	115.2	M1119 E1121	M1119-G1123 PolarHBondContact O-N 2.92Å; E1121-G1123 PolarHBondContact O-N 3.29Å
1124	K	87.3	Confident	85.9	Confident	108 Å²	108	83.3 Å²	83.3	47%	0.47	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-39.7	167	-56.1	176.5	-152.8	162.7	0	111.4	E1121 D1122 K1126 K1127	E1121-K1124 WeakPolarHBondContact O-CB 3.15Å; E1121-K1124 PolarHBondContact O-N 2.84Å; E1121-K1124 WeakPolarHBondContact OE1-CE 3.17Å; E1121-K1124 IonicContact OE1-NZ 2.69Å; E1121-K1124 PolarHBondContact OE1-NZ 3.16Å; E1121-K1124 WeakPolarHBondContact OE2-CE 3.46Å; E1121-K1124 IonicContact OE2-NZ 2.71Å; E1121-K1124 PolarHBondContact OE2-NZ 3.43Å; D1122-K1124 VanDerWaalsContact C-N 3.27Å; D1122-K1124 PolarHBondContact O-N 3.48Å; K1124-K1126 PolarHBondContact O-N 3.29Å; K1124-K1126 VanDerWaalsContact O-N 3.16Å; K1124-K1127 PolarHBondContact O-N 3.36Å; K1124-K1127 VanDerWaalsContact O-N 3.15Å
1125	L	70.4	Confident	85	Confident	139 Å²	139	89.7 Å²	89.7	73%	0.728	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.5	-178.9	-73.3	158.9	0	0	0	113.6	E1121 D1122	E1121-L1125 PolarHBondContact O-N 3.42Å; D1122-L1125 PolarHBondContact O-N 3.38Å
1126	K	64.1	Low	84	Confident	178 Å²	178	97.2 Å²	97.2	77%	0.774	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	19.6	175.4	-64.9	176.8	-178.6	179.7	0	112.9	D1122 K1124	D1122-K1126 WeakPolarHBondContact O-CG 3.47Å; D1122-K1126 PolarHBondContact O-N 2.9Å; K1124-K1126 PolarHBondContact O-N 3.29Å; K1124-K1126 VanDerWaalsContact O-N 3.16Å
1127	K	44	Very low	83	Confident	245 Å²	245	100.2 Å²	100.2	100%	1.065	47%	0.47	S	S	*	.			trans	-126.8	0	174.3	-72.6	-168.3	173.3	-166.1	0	110.8	K1124	K1124-K1127 PolarHBondContact O-N 3.36Å; K1124-K1127 VanDerWaalsContact O-N 3.15Å

Retrieved 1,127 of 1,127 residues in 479 ms (Link to these results)

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