A0A077Z913_TRITR Loading...

m7GpppX diphosphatase

AlphaFold DB , UniProt , Accession A0A077Z913, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,018 aa.

						>A0A077Z913_TRITR|A0A077Z913
MVNQQDGTHLIKHLHPTIIRNMVCSLPEIPDATVETNALMRTAPSNELPPFKSLTLRECLDGSAKMALEFESWIRTHCQKLSEANKLDLDFRNVVEEVEMRLAPVQYAGGTCRLLAGVMHFHPNIIPRLRGVRLCVNSAKCHFLKKKFSYKTCCPEAGRRQLAEKTSMNESQKALLSKYIMEFKLNGLEMSDKKKRLWVEEYRRRLFDTYSLVDIQIFAVSILRRNGRLYFRFRPIRIIPFCVTVVSGLPEGPFGNCSIVALDSRKKLQGLATTFGYDCYASMALHGRMAKSVDDVENMIVSLKDAVSPKFADQCKGMTDLAASVDFLRPPLRPWDVDYYARKLAEMKYGYTRYFLLDFIDCIQFYRVSFNTISEYFPCSHVMPALLKLLEDMFDVQFLDAGEKAERWSDMVNVTVVGYTPIVYVHLNLSSSNIRGEKPALFHWDHLINFFREIGRSLQLLLTRMPFWELASGETLERDCVMVVPYVLENLLMQPQHLSAISAHYSTGAKLSLEEALNFRKAIQAAQLPMLVRDIFKSDFDLLIHKSNMGFWFDMYREKSKEYFPFGWEKGDYHPCNDLLVADDQAAASNYKQLWSEVVACDLLQAMGVVSKGTDQASVRQFCDSRKKTMLRFKRCYLATDGSLTQSETFRRFTGRSLPSVNGMLNMRFLLSNVEMEKSTPDDNVLSDFEILKVLKSDDDMKLIAVQARKRPRNELNANDDGSQDAVVVLEKKPFTEETVAAFASDSSTRLTTVMHNDIYSVFNGTNADKVLLFTLWSHASELNGKPLIVPIICVRLCQLFDAAVKVTTIYPATAEHIRKWSEQPFFMVSETPEDYKQTTEPYILKNKLSLEWVYALLGGKAEAERVIYNDEDAVNGFILAPSLRWDGVRKEQMDLTAIVRRRDLKSIRDLRADHLPLLYNLWAKCTTTIKEKYNVEANEMRIYFHYQPTYYHLHVHFTYLKEWNIGTAAGRAHLFADVVQNLQTDGDYYAKRTMYFTLREDDPLLTLLGRRNAFIRQ
					

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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	26	Very low	29.3	Very low	243 Å²	243	158.4 Å²	158.4	100%	1.197	85%	0.853	S	S	*	*				0	96.8	0	-74.1	-179	68.4	0	0	108.9
2	V	30.8	Very low	29.2	Very low	142 Å²	142	161.5 Å²	161.5	86%	0.861	85%	0.853	S	S	*	*			trans	-135.2	122.7	161.9	178.2	0	0	0	0	105.1
3	N	28.9	Very low	29.3	Very low	158 Å²	158	162.8 Å²	162.8	85%	0.845	85%	0.851	S	S	*	*			trans	-54.5	136.7	-171.6	-92.7	-30	0	0	0	113	Q5	N3-Q5 VanDerWaalsContact C-N 3.33Å; N3-Q5 PolarHBondContact O-N 3.07Å
4	Q	30	Very low	29.3	Very low	198 Å²	198	158.8 Å²	158.8	93%	0.925	83%	0.83	S	S	*	*	S	Bend	trans	-82.4	19.8	-175.6	-89.2	-173.3	-18	0	0	115.4
5	Q	30.9	Very low	29.2	Very low	175 Å²	175	159.5 Å²	159.5	82%	0.818	83%	0.827	S	S	*	*			trans	-99.8	-8.4	-166	-81.3	-168.7	-19.2	0	0	118.9	N3	N3-Q5 VanDerWaalsContact C-N 3.33Å; N3-Q5 PolarHBondContact O-N 3.07Å
6	D	34.1	Very low	29.4	Very low	158 Å²	158	156.5 Å²	156.5	85%	0.845	82%	0.82	S	S	*	*			trans	-125	71.7	-178.4	-67.5	-39.5	0	0	0	113.3
7	G	28.8	Very low	29.7	Very low	80 Å²	80	154.8 Å²	154.8	83%	0.825	82%	0.818	S	S	*	*			trans	-85.3	1.9	-172.7	0	0	0	0	0	117.6
8	T	29.8	Very low	30.1	Very low	128 Å²	128	152.8 Å²	152.8	79%	0.785	81%	0.806	S	S	*	*	S	Bend	trans	-119.4	-0.2	-162.5	32.7	0	0	0	0	118
9	H	27.7	Very low	30.6	Very low	183 Å²	183	152.8 Å²	152.8	85%	0.847	81%	0.806	S	S	*	*	S	Bend	trans	-115.7	6.5	-172.9	-82.7	-70.9	0	0	0	118.6
10	L	26.4	Very low	31.1	Very low	136 Å²	136	154 Å²	154	71%	0.712	80%	0.798	S	S	*	*			trans	-108.7	11.1	-162.6	-109.3	151.9	0	0	0	119.2
11	I	28.6	Very low	31.6	Very low	141 Å²	141	153.7 Å²	153.7	72%	0.723	80%	0.798	S	S	*	*	S	Bend	trans	-105.7	-14.8	-171.7	-59.8	-177.3	0	0	0	115.9	F254	I11-F254 HydrophobicContact CD1-CE1 4.34Å; I11-F254 HydrophobicContact CD1-CZ 4.02Å
12	K	28.5	Very low	32.2	Very low	196 Å²	196	150.7 Å²	150.7	85%	0.852	78%	0.783	S	S	*	*	S	Bend	trans	-92.8	-11.6	-170.8	-85.2	-172.4	175.5	-179.3	0	118.5
13	H	29.9	Very low	32.8	Very low	179 Å²	179	150.4 Å²	150.4	83%	0.829	78%	0.782	S	S	*	*			trans	-143.9	83.9	-178.9	-69.2	-40.8	0	0	0	113.1
14	L	30.3	Very low	33.5	Very low	106 Å²	106	147.9 Å²	147.9	56%	0.555	78%	0.775	S	S	*	*			trans	-125.3	86.2	164.7	-78.2	170.4	0	0	0	110.9	I18	L14-I18 HydrophobicContact CD2-CD1 3.94Å
15	H	27.4	Very low	34.2	Very low	170 Å²	170	143.8 Å²	143.8	79%	0.787	77%	0.768	S	S	*	*			trans	-69.9	153.4	161	-157.2	-97	0	0	0	110	T17	H15-T17 PolarHBondContact O-N 2.95Å
16	P	32.9	Very low	35.4	Very low	111 Å²	111	142.1 Å²	142.1	72%	0.721	76%	0.764	S	S	*	*	S	Bend	trans	-93.5	84.9	-161.8	35.2	-33.4	0	0	0	114
17	T	33.4	Very low	36.5	Very low	127 Å²	127	139 Å²	139	78%	0.779	75%	0.753	S	S	*	*			trans	-158.5	36.5	160.4	-8.3	0	0	0	0	115	H15	H15-T17 PolarHBondContact O-N 2.95Å
18	I	37.6	Very low	38.3	Very low	119 Å²	119	142 Å²	142	61%	0.61	75%	0.745	S	S	*	*			trans	-98.8	104.1	170.5	-58.4	178.7	0	0	0	108.2	L14 R20	L14-I18 HydrophobicContact CD2-CD1 3.94Å; I18-R20 HydrophobicContact CG2-CG 4.01Å; I18-R20 PolarHBondContact O-N 2.81Å
19	I	38.6	Very low	40.3	Very low	154 Å²	154	141 Å²	141	79%	0.79	73%	0.734	S	S	*	*			trans	-59.2	87.2	162	-58.9	169.5	0	0	0	106	N21	I19-N21 PolarHBondContact O-N 3.27Å
20	R	41.9	Very low	42.6	Very low	175 Å²	175	132.8 Å²	132.8	66%	0.66	70%	0.697	S	S	*	*			trans	-70.5	113.6	172.3	-74.4	-175.2	176.6	172.2	-0.6	106.1	I18 M22	I18-R20 HydrophobicContact CG2-CG 4.01Å; I18-R20 PolarHBondContact O-N 2.81Å; R20-M22 VanDerWaalsContact C-N 3.28Å; R20-M22 PolarHBondContact O-N 2.84Å
21	N	40.9	Very low	45.2	Very low	149 Å²	149	133.5 Å²	133.5	80%	0.797	70%	0.701	S	S	*	*			trans	-52	100.4	160.4	-73.9	-25.4	0	0	0	106.8	I19 V23	I19-N21 PolarHBondContact O-N 3.27Å; N21-V23 PolarHBondContact O-N 3.28Å
22	M	38.9	Very low	48	Very low	179 Å²	179	127.2 Å²	127.2	88%	0.882	67%	0.67	S	S	*	*			trans	-72.9	100.9	176.5	-75	-174.7	84.6	0	0	106.7	R20 C24	R20-M22 VanDerWaalsContact C-N 3.28Å; R20-M22 PolarHBondContact O-N 2.84Å; M22-C24 VanDerWaalsContact C-N 3.28Å; M22-C24 PolarHBondContact O-N 3.38Å
23	V	43.8	Very low	50.8	Low	137 Å²	137	120.3 Å²	120.3	83%	0.83	65%	0.645	S	S	*	*			trans	-68	96.8	162.7	-178.9	0	0	0	0	106.2	N21 S25	N21-V23 PolarHBondContact O-N 3.28Å; V23-S25 PolarHBondContact O-N 3.3Å
24	C	42.6	Very low	53.5	Low	105 Å²	105	115.3 Å²	115.3	71%	0.709	63%	0.627	S	S	*	*			trans	-79.4	98	170.7	-154.6	0	0	0	0	106.7	M22 L26	M22-C24 VanDerWaalsContact C-N 3.28Å; M22-C24 PolarHBondContact O-N 3.38Å; C24-L26 PolarHBondContact O-N 3.25Å
25	S	45.4	Very low	56.2	Low	111 Å²	111	117.2 Å²	117.2	78%	0.776	63%	0.633	S	S	*	*			trans	-65.2	105.4	168.2	-171.3	0	0	0	0	107	V23	V23-S25 PolarHBondContact O-N 3.3Å
26	L	55.3	Low	59.1	Low	140 Å²	140	113.4 Å²	113.4	73%	0.733	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-62.5	144.2	167.6	-65.3	173.5	0	0	0	108.2	C24 E28	C24-L26 PolarHBondContact O-N 3.25Å; L26-E28 PolarHBondContact O-N 2.68Å
27	P	58.7	Low	61.9	Low	94 Å²	94	108.4 Å²	108.4	61%	0.61	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-58	134.5	172.5	23.6	-31	0	0	0	109.1	I29	P27-I29 PolarHBondContact O-N 3.11Å; P27-I29 VanDerWaalsContact O-N 3.14Å
28	E	65.4	Low	64.5	Low	142 Å²	142	102.8 Å²	102.8	66%	0.664	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-55.9	117.9	171.5	-170.1	-179	174.7	0	0	108	L26 P30 R57	L26-E28 PolarHBondContact O-N 2.68Å; E28-P30 WeakPolarHBondContact O-CD 3.39Å; E28-R57 IonicContact OE1-NH2 2.67Å
29	I	71.5	Confident	66.9	Low	108 Å²	108	97.1 Å²	97.1	55%	0.554	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-81.8	117.2	175.3	-59.3	176.1	0	0	0	106.1	P27 L68	P27-I29 PolarHBondContact O-N 3.11Å; P27-I29 VanDerWaalsContact O-N 3.14Å; I29-L68 HydrophobicContact CB-CD1 4.44Å; I29-L68 HydrophobicContact CG1-CD1 4.2Å; I29-L68 HydrophobicContact CG2-CD1 4.14Å
30	P	76.5	Confident	69.3	Low	10 Å²	10	90.2 Å²	90.2	7%	0.065	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-65.8	141.9	178.7	-18.1	31.3	0	0	0	111.5	E28 A32 D61 A64 K65	E28-P30 WeakPolarHBondContact O-CD 3.39Å; P30-A32 HydrophobicContact CB-CB 4.32Å; P30-A32 PolarHBondContact O-N 2.73Å; P30-D61 HydrophobicContact CB-CB 3.77Å; P30-D61 HydrophobicContact CG-CB 4.31Å; P30-A64 HydrophobicContact CG-CB 4Å; P30-K65 PolarHBondContact O-NZ 3.36Å
31	D	82	Confident	71.6	Confident	150 Å²	150	87.2 Å²	87.2	80%	0.802	48%	0.479	S	S	*	.			trans	-77.1	12.4	172.6	-68.9	-27.1	0	0	0	112.8	T33	D31-T33 PolarHBondContact O-N 2.94Å
32	A	86	Confident	73.8	Confident	9 Å²	9	80.8 Å²	80.8	7%	0.074	45%	0.446	C	S	.	.			trans	-62.1	134.7	176.2	0	0	0	0	0	110.9	P30 N37 M40 D61 K65	P30-A32 HydrophobicContact CB-CB 4.32Å; P30-A32 PolarHBondContact O-N 2.73Å; A32-N37 HydrophobicContact CB-CB 4.08Å; A32-M40 HydrophobicContact CB-SD 3.84Å; A32-D61 HydrophobicContact CB-CB 4.28Å; A32-K65 HydrophobicContact CB-CB 4.27Å; A32-K65 WeakPolarHBondContact O-CE 3.38Å; A32-K65 WeakPolarHBondContact O-CG 3.33Å
33	T	88.1	Confident	76	Confident	51 Å²	51	72.2 Å²	72.2	31%	0.313	40%	0.404	S	S	.	.			trans	-132.7	170.7	173.2	73.2	0	0	0	0	109.9	D31 E35 T36 N37	D31-T33 PolarHBondContact O-N 2.94Å; T33-E35 WeakPolarHBondContact CB-OE2 3.38Å; T33-E35 PolarHBondContact O-N 3.42Å; T33-E35 PolarHBondContact OG1-N 2.97Å; T33-E35 PolarHBondContact OG1-OE2 3.47Å; T33-T36 PolarHBondContact N-OG1 2.96Å; T33-T36 PolarHBondContact O-N 3.28Å; T33-T36 PolarHBondContact O-OG1 2.9Å; T33-T36 PolarHBondContact OG1-N 2.97Å; T33-T36 PolarHBondContact OG1-OG1 3.02Å; T33-T36 VanDerWaalsContact OG1-OG1 3.11Å; T33-N37 VanDerWaalsContact O-CB 3.25Å; T33-N37 WeakPolarHBondContact O-CB 3.21Å; T33-N37 PolarHBondContact O-N 3.2Å
34	V	86.7	Confident	78.1	Confident	74 Å²	74	69.2 Å²	69.2	45%	0.448	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.1	176.4	-178.6	0	0	0	0	110.9	M40 R41	V34-M40 HydrophobicContact CG2-CB 4.43Å; V34-R41 HydrophobicContact CG1-CG 3.69Å; V34-R41 WeakPolarHBondContact O-CD 3.47Å; V34-R41 WeakPolarHBondContact O-CG 3.4Å; V34-R41 PolarHBondContact O-NH1 3.08Å
35	E	86.7	Confident	80	Confident	147 Å²	147	66.7 Å²	66.7	69%	0.687	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-38.3	178.1	-55.3	73.4	-158.5	0	0	111.9	T33 R41	T33-E35 WeakPolarHBondContact CB-OE2 3.38Å; T33-E35 PolarHBondContact O-N 3.42Å; T33-E35 PolarHBondContact OG1-N 2.97Å; T33-E35 PolarHBondContact OG1-OE2 3.47Å; E35-R41 VanDerWaalsContact C-NH1 3.33Å; E35-R41 PolarHBondContact O-NH1 2.66Å
36	T	88.9	Confident	81.6	Confident	90 Å²	90	63.8 Å²	63.8	55%	0.552	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-19.1	-173.9	58.5	0	0	0	0	113.9	T33	T33-T36 PolarHBondContact N-OG1 2.96Å; T33-T36 PolarHBondContact O-N 3.28Å; T33-T36 PolarHBondContact O-OG1 2.9Å; T33-T36 PolarHBondContact OG1-N 2.97Å; T33-T36 PolarHBondContact OG1-OG1 3.02Å; T33-T36 VanDerWaalsContact OG1-OG1 3.11Å
37	N	91.2	Very high	82.8	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.027	34%	0.335	C	S	.	.			trans	-122.6	116.7	-173	-168.7	-64.8	0	0	0	112.3	A32 T33 L39 M40 R41 E58 G62	A32-N37 HydrophobicContact CB-CB 4.08Å; T33-N37 VanDerWaalsContact O-CB 3.25Å; T33-N37 WeakPolarHBondContact O-CB 3.21Å; T33-N37 PolarHBondContact O-N 3.2Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.01Å; N37-L39 WeakPolarHBondContact OD1-CA 2.91Å; N37-L39 WeakPolarHBondContact OD1-CB 3.15Å; N37-L39 PolarHBondContact OD1-N 2.76Å; N37-M40 HydrophobicContact CB-CB 4.19Å; N37-M40 HydrophobicContact CB-CG 4.02Å; N37-M40 HydrophobicContact CB-SD 4.17Å; N37-M40 PolarHBondContact O-N 3.4Å; N37-M40 PolarHBondContact OD1-N 2.9Å; N37-R41 PolarHBondContact O-N 3.33Å; N37-E58 PolarHBondContact ND2-O 3.17Å; N37-G62 PolarHBondContact ND2-N 2.93Å
38	A	87.8	Confident	83.6	Confident	10 Å²	10	60.9 Å²	60.9	8%	0.083	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-30.3	-177.9	0	0	0	0	0	114	R41 T42 P50 L54	A38-R41 PolarHBondContact O-N 3.41Å; A38-T42 PolarHBondContact O-N 2.98Å; A38-T42 VanDerWaalsContact O-N 3.08Å; A38-T42 PolarHBondContact O-OG1 3.11Å; A38-P50 HydrophobicContact CB-CG 3.79Å; A38-L54 HydrophobicContact CB-CD1 4.35Å
39	L	87.3	Confident	84.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.8	-37.1	177.6	-172.3	60.4	0	0	0	111.3	N37 R41 T42 A43 P49 L54 C59 A108 T111	N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.01Å; N37-L39 WeakPolarHBondContact OD1-CA 2.91Å; N37-L39 WeakPolarHBondContact OD1-CB 3.15Å; N37-L39 PolarHBondContact OD1-N 2.76Å; L39-R41 PolarHBondContact O-N 3.26Å; L39-T42 PolarHBondContact O-N 3.02Å; L39-A43 WeakPolarHBondContact O-CB 3.47Å; L39-A43 PolarHBondContact O-N 3.23Å; L39-P49 HydrophobicContact CD1-CB 4.49Å; L39-L54 HydrophobicContact CB-CD1 4.33Å; L39-L54 HydrophobicContact CD1-CD2 4.48Å; L39-C59 HydrophobicContact CD2-CB 4.28Å; L39-A108 HydrophobicContact CD1-CB 4.44Å; L39-A108 HydrophobicContact CD2-CB 3.81Å; L39-A108 HydrophobicContact CG-CB 4Å; L39-T111 HydrophobicContact CD1-CG2 3.91Å
40	M	90.6	Very high	84.8	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-21.5	175.1	-66.9	-173.4	70.6	0	0	113.2	A32 V34 N37 P44 K65 M66	A32-M40 HydrophobicContact CB-SD 3.84Å; V34-M40 HydrophobicContact CG2-CB 4.43Å; N37-M40 HydrophobicContact CB-CB 4.19Å; N37-M40 HydrophobicContact CB-CG 4.02Å; N37-M40 HydrophobicContact CB-SD 4.17Å; N37-M40 PolarHBondContact O-N 3.4Å; N37-M40 PolarHBondContact OD1-N 2.9Å; M40-P44 WeakPolarHBondContact O-CD 3.47Å; M40-P44 WeakPolarHBondContact O-CG 3.47Å; M40-K65 HydrophobicContact CE-CB 4.36Å; M40-K65 HydrophobicContact CE-CG 3.72Å; M40-K65 HydrophobicContact SD-CB 4.09Å; M40-K65 HydrophobicContact SD-CG 3.9Å; M40-M66 HydrophobicContact CE-CG 4.24Å; M40-M66 HydrophobicContact CG-CG 4.07Å; M40-M66 HydrophobicContact CG-SD 4.2Å
41	R	89.2	Confident	84.9	Confident	112 Å²	112	54.2 Å²	54.2	42%	0.423	29%	0.291	S	S	.	.	H	α-helix	trans	-79.9	-49.1	170.7	-66	-169.5	-71	-88.3	9.5	112.9	V34 E35 N37 A38 L39 P44 S45	V34-R41 HydrophobicContact CG1-CG 3.69Å; V34-R41 WeakPolarHBondContact O-CD 3.47Å; V34-R41 WeakPolarHBondContact O-CG 3.4Å; V34-R41 PolarHBondContact O-NH1 3.08Å; E35-R41 VanDerWaalsContact C-NH1 3.33Å; E35-R41 PolarHBondContact O-NH1 2.66Å; N37-R41 PolarHBondContact O-N 3.33Å; A38-R41 PolarHBondContact O-N 3.41Å; L39-R41 PolarHBondContact O-N 3.26Å; R41-P44 WeakPolarHBondContact O-CD 3.44Å; R41-S45 PolarHBondContact O-OG 3.42Å
42	T	86.4	Confident	84.7	Confident	14 Å²	14	57.4 Å²	57.4	9%	0.086	30%	0.298	C	S	.	.	H	α-helix	trans	-78.8	-34.2	-170.8	48	0	0	0	0	113.1	A38 L39 S45 N46 E47	A38-T42 PolarHBondContact O-N 2.98Å; A38-T42 VanDerWaalsContact O-N 3.08Å; A38-T42 PolarHBondContact O-OG1 3.11Å; L39-T42 PolarHBondContact O-N 3.02Å; T42-S45 WeakPolarHBondContact CA-OG 3.5Å; T42-S45 PolarHBondContact O-N 2.96Å; T42-S45 PolarHBondContact O-OG 3.19Å; T42-S45 VanDerWaalsContact O-OG 3.07Å; T42-N46 PolarHBondContact O-N 3.14Å; T42-E47 HydrophobicContact CG2-CB 4.42Å; T42-E47 PolarHBondContact O-N 3.23Å
43	A	86.6	Confident	84.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-45.7	-179.1	0	0	0	0	0	112.2	L39 M66 P104 Y107 A108 Y419	L39-A43 WeakPolarHBondContact O-CB 3.47Å; L39-A43 PolarHBondContact O-N 3.23Å; A43-M66 HydrophobicContact CB-CE 3.86Å; A43-M66 HydrophobicContact CB-SD 4.26Å; A43-P104 HydrophobicContact CB-CB 4.5Å; A43-Y107 HydrophobicContact CB-CD1 3.56Å; A43-Y107 HydrophobicContact CB-CE1 4.16Å; A43-Y107 HydrophobicContact CB-CG 4.45Å; A43-A108 HydrophobicContact CB-CB 4.29Å; A43-Y419 WeakPolarHBondContact O-CE1 3.14Å; A43-Y419 VanDerWaalsContact O-CZ 3.23Å; A43-Y419 PolarHBondContact O-OH 2.81Å
44	P	86.2	Confident	84.4	Confident	74 Å²	74	58.6 Å²	58.6	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-70.3	-26.7	174.8	-22	35.6	0	0	0	114.9	M40 R41 N46 M66 P104	M40-P44 WeakPolarHBondContact O-CD 3.47Å; M40-P44 WeakPolarHBondContact O-CG 3.47Å; R41-P44 WeakPolarHBondContact O-CD 3.44Å; P44-N46 VanDerWaalsContact C-N 3.33Å; P44-M66 HydrophobicContact CG-CE 4.48Å; P44-P104 HydrophobicContact CG-CB 4.45Å
45	S	83.5	Confident	84.3	Confident	51 Å²	51	58.1 Å²	58.1	36%	0.357	31%	0.305	S	S	.	.	H	α-helix	trans	-82.6	-5.3	-176.9	61.9	0	0	0	0	114.3	R41 T42 E47	R41-S45 PolarHBondContact O-OG 3.42Å; T42-S45 WeakPolarHBondContact CA-OG 3.5Å; T42-S45 PolarHBondContact O-N 2.96Å; T42-S45 PolarHBondContact O-OG 3.19Å; T42-S45 VanDerWaalsContact O-OG 3.07Å; S45-E47 PolarHBondContact O-N 2.56Å; S45-E47 WeakPolarHBondContact OG-CB 3.46Å; S45-E47 VanDerWaalsContact OG-CD 3.27Å; S45-E47 WeakPolarHBondContact OG-CG 3.34Å; S45-E47 PolarHBondContact OG-OE2 2.78Å
46	N	79.1	Confident	83.9	Confident	51 Å²	51	52.3 Å²	52.3	27%	0.273	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	28.6	-171.2	-174	38.7	0	0	0	112.1	T42 P44 G418 Y419 T420	T42-N46 PolarHBondContact O-N 3.14Å; P44-N46 VanDerWaalsContact C-N 3.33Å; N46-G418 PolarHBondContact ND2-O 3.45Å; N46-Y419 HydrophobicContact CB-CD1 3.84Å; N46-Y419 HydrophobicContact CB-CE1 3.87Å; N46-Y419 HydrophobicContact CB-CG 4.48Å; N46-Y419 WeakPolarHBondContact OD1-CA 3.24Å; N46-Y419 WeakPolarHBondContact OD1-CD1 3.45Å; N46-T420 PolarHBondContact ND2-N 3.45Å; N46-T420 PolarHBondContact OD1-N 3.08Å
47	E	80.8	Confident	83.5	Confident	108 Å²	108	54 Å²	54	51%	0.505	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-92.4	148.6	172.6	-69.2	168.7	167.8	0	0	110.3	T42 S45 Y107	T42-E47 HydrophobicContact CG2-CB 4.42Å; T42-E47 PolarHBondContact O-N 3.23Å; S45-E47 PolarHBondContact O-N 2.56Å; S45-E47 WeakPolarHBondContact OG-CB 3.46Å; S45-E47 VanDerWaalsContact OG-CD 3.27Å; S45-E47 WeakPolarHBondContact OG-CG 3.34Å; S45-E47 PolarHBondContact OG-OE2 2.78Å; E47-Y107 PolarHBondContact O-OH 3.14Å
48	L	76.2	Confident	83.2	Confident	65 Å²	65	56.7 Å²	56.7	34%	0.34	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-58.4	136.2	176.5	-71.7	172.9	0	0	0	110.5	I422	L48-I422 HydrophobicContact CD2-CD1 3.45Å; L48-I422 VanDerWaalsContact CD2-CD1 3.45Å
49	P	78.8	Confident	82.9	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.032	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-63	145.9	176.9	-13.2	29.8	0	0	0	109.3	L39 F51 L54 Y107 T111	L39-P49 HydrophobicContact CD1-CB 4.49Å; P49-F51 HydrophobicContact CB-CD1 4.42Å; P49-F51 HydrophobicContact CB-CE1 4.09Å; P49-F51 HydrophobicContact CB-CE2 4.33Å; P49-F51 HydrophobicContact CB-CZ 4.04Å; P49-F51 HydrophobicContact CG-CE1 4.02Å; P49-F51 HydrophobicContact CG-CE2 4.05Å; P49-F51 HydrophobicContact CG-CZ 3.59Å; P49-F51 WeakPolarHBondContact O-CD2 3.38Å; P49-F51 PolarHBondContact O-N 2.79Å; P49-L54 HydrophobicContact CB-CD2 3.79Å; P49-Y107 WeakPolarHBondContact CD-OH 3.33Å; P49-Y107 HydrophobicContact CG-CE1 3.99Å; P49-T111 HydrophobicContact CB-CG2 3.9Å; P49-T111 HydrophobicContact CG-CG2 3.69Å
50	P	82.4	Confident	82.6	Confident	46 Å²	46	56.9 Å²	56.9	30%	0.299	29%	0.287	S	S	.	.			trans	-76.4	68.7	179.9	32	-34.9	0	0	0	110.4	A38 K52 S53 L54	A38-P50 HydrophobicContact CB-CG 3.79Å; P50-K52 PolarHBondContact O-N 2.92Å; P50-S53 PolarHBondContact O-N 3.24Å; P50-S53 PolarHBondContact O-OG 3.23Å; P50-L54 HydrophobicContact CG-CB 4.41Å; P50-L54 VanDerWaalsContact O-CB 3.25Å; P50-L54 WeakPolarHBondContact O-CB 3.3Å; P50-L54 PolarHBondContact O-N 3.41Å
51	F	77.7	Confident	82.3	Confident	68 Å²	68	58 Å²	58	30%	0.298	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-28.6	-170.9	-70.3	-66.9	0	0	0	114.5	P49 T111 L114 L115 Y424	P49-F51 HydrophobicContact CB-CD1 4.42Å; P49-F51 HydrophobicContact CB-CE1 4.09Å; P49-F51 HydrophobicContact CB-CE2 4.33Å; P49-F51 HydrophobicContact CB-CZ 4.04Å; P49-F51 HydrophobicContact CG-CE1 4.02Å; P49-F51 HydrophobicContact CG-CE2 4.05Å; P49-F51 HydrophobicContact CG-CZ 3.59Å; P49-F51 WeakPolarHBondContact O-CD2 3.38Å; P49-F51 PolarHBondContact O-N 2.79Å; F51-T111 HydrophobicContact CE1-CG2 3.99Å; F51-L114 HydrophobicContact CE1-CD2 3.66Å; F51-L114 HydrophobicContact CZ-CD2 3.82Å; F51-L115 HydrophobicContact CD1-CD1 4.45Å; F51-L115 HydrophobicContact CD1-CD2 4.2Å; F51-L115 HydrophobicContact CD1-CG 4.33Å; F51-Y424 VanDerWaalsContact CE2-OH 3.31Å; F51-Y424 WeakPolarHBondContact CE2-OH 3.24Å; F51-Y424 HydrophobicContact CZ-CE1 4.4Å; F51-Y424 AromaticContact CZ-CZ 3.92Å; F51-Y424 WeakPolarHBondContact CZ-OH 3.23Å
52	K	78.1	Confident	82.2	Confident	217 Å²	217	52.6 Å²	52.6	94%	0.943	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.2	178.5	-68.7	-176	178.9	177.2	0	113.1	P50	P50-K52 PolarHBondContact O-N 2.92Å
53	S	84.4	Confident	82	Confident	83 Å²	83	52 Å²	52	58%	0.58	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-19.5	-177.5	61.3	0	0	0	0	113.3	P50 T55	P50-S53 PolarHBondContact O-N 3.24Å; P50-S53 PolarHBondContact O-OG 3.23Å; S53-T55 PolarHBondContact O-N 3.47Å
54	L	84.1	Confident	81.7	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	28%	0.279	C	S	.	.			trans	-69.3	119.2	-174.7	-174.6	62	0	0	0	111.1	A38 L39 P49 P50 E58 C59 T111 L115	A38-L54 HydrophobicContact CB-CD1 4.35Å; L39-L54 HydrophobicContact CB-CD1 4.33Å; L39-L54 HydrophobicContact CD1-CD2 4.48Å; P49-L54 HydrophobicContact CB-CD2 3.79Å; P50-L54 HydrophobicContact CG-CB 4.41Å; P50-L54 VanDerWaalsContact O-CB 3.25Å; P50-L54 WeakPolarHBondContact O-CB 3.3Å; P50-L54 PolarHBondContact O-N 3.41Å; L54-E58 HydrophobicContact CD1-CB 4.06Å; L54-C59 WeakPolarHBondContact CD2-SG 3.37Å; L54-C59 WeakPolarHBondContact CG-SG 3.35Å; L54-T111 HydrophobicContact CD2-CG2 4.03Å; L54-L115 HydrophobicContact CD2-CD1 3.76Å; L54-L115 HydrophobicContact CG-CD1 3.99Å
55	T	84	Confident	81.7	Confident	63 Å²	63	51.7 Å²	51.7	39%	0.387	27%	0.265	S	S	.	.			trans	-86.9	155.1	177.8	68.3	0	0	0	0	111.6	S53 R57 E58 C59	S53-T55 PolarHBondContact O-N 3.47Å; T55-R57 PolarHBondContact O-N 3.29Å; T55-E58 WeakPolarHBondContact CB-OE2 3.12Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.08Å; T55-E58 PolarHBondContact N-OE2 2.68Å; T55-E58 PolarHBondContact O-N 3.23Å; T55-E58 WeakPolarHBondContact OG1-CB 3.43Å; T55-E58 VanDerWaalsContact OG1-CD 3.28Å; T55-E58 WeakPolarHBondContact OG1-CG 3.37Å; T55-E58 PolarHBondContact OG1-N 2.9Å; T55-E58 VanDerWaalsContact OG1-N 3.17Å; T55-E58 PolarHBondContact OG1-OE2 2.85Å; T55-C59 PolarHBondContact O-N 3.4Å; T55-C59 PolarHBondContact O-SG 3.34Å
56	L	78.5	Confident	81.8	Confident	26 Å²	26	49.9 Å²	49.9	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-35.2	173.1	176.9	66.4	0	0	0	112.3	C59 L60 A116 M119 H122 I125	L56-C59 WeakPolarHBondContact O-CB 3.49Å; L56-C59 PolarHBondContact O-N 3.08Å; L56-L60 HydrophobicContact CD1-CG 4.41Å; L56-L60 HydrophobicContact CG-CD1 4.27Å; L56-L60 WeakPolarHBondContact O-CG 3.1Å; L56-L60 PolarHBondContact O-N 3.4Å; L56-A116 HydrophobicContact CD1-CB 4.28Å; L56-M119 HydrophobicContact CB-SD 4.11Å; L56-H122 HydrophobicContact CD2-CB 4.15Å; L56-I125 HydrophobicContact CD1-CD1 3.84Å; L56-I125 HydrophobicContact CD1-CG1 4.29Å; L56-I125 HydrophobicContact CD2-CD1 3.39Å; L56-I125 HydrophobicContact CD2-CG1 3.96Å; L56-I125 HydrophobicContact CG-CD1 4.18Å
57	R	80.6	Confident	81.9	Confident	125 Å²	125	47.5 Å²	47.5	47%	0.472	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-48.3	178.4	-179.5	65.6	-169.3	-130.6	5.9	111	E28 T55 C59 L60 D61	E28-R57 IonicContact OE1-NH2 2.67Å; T55-R57 PolarHBondContact O-N 3.29Å; R57-C59 PolarHBondContact O-N 3.33Å; R57-L60 PolarHBondContact O-N 2.96Å; R57-D61 IonicContact CZ-OD1 3.91Å; R57-D61 IonicContact CZ-OD2 3.3Å; R57-D61 VanDerWaalsContact NE-CG 3.28Å; R57-D61 IonicContact NE-OD1 3.84Å; R57-D61 PolarHBondContact NE-OD1 3.26Å; R57-D61 VanDerWaalsContact NE-OD1 3.1Å; R57-D61 IonicContact NE-OD2 3.64Å; R57-D61 PolarHBondContact NE-OD2 3.2Å; R57-D61 IonicContact NH2-OD1 3.09Å; R57-D61 IonicContact NH2-OD2 3.71Å; R57-D61 PolarHBondContact NH2-OD2 2.86Å; R57-D61 WeakPolarHBondContact O-CB 3.37Å; R57-D61 PolarHBondContact O-N 3.34Å
58	E	84.9	Confident	81.9	Confident	61 Å²	61	44.8 Å²	44.8	29%	0.285	23%	0.227	S	C	.	.	H	α-helix	trans	-58.2	-39.4	175.1	-71.9	165.1	132.8	0	0	111.5	N37 L54 T55 G62	N37-E58 PolarHBondContact ND2-O 3.17Å; L54-E58 HydrophobicContact CD1-CB 4.06Å; T55-E58 WeakPolarHBondContact CB-OE2 3.12Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.08Å; T55-E58 PolarHBondContact N-OE2 2.68Å; T55-E58 PolarHBondContact O-N 3.23Å; T55-E58 WeakPolarHBondContact OG1-CB 3.43Å; T55-E58 VanDerWaalsContact OG1-CD 3.28Å; T55-E58 WeakPolarHBondContact OG1-CG 3.37Å; T55-E58 PolarHBondContact OG1-N 2.9Å; T55-E58 VanDerWaalsContact OG1-N 3.17Å; T55-E58 PolarHBondContact OG1-OE2 2.85Å; E58-G62 PolarHBondContact O-N 3.44Å
59	C	82.5	Confident	82.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-50.9	175.7	-73.2	0	0	0	0	112.5	L39 L54 T55 L56 R57 S63 C112 L115	L39-C59 HydrophobicContact CD2-CB 4.28Å; L54-C59 WeakPolarHBondContact CD2-SG 3.37Å; L54-C59 WeakPolarHBondContact CG-SG 3.35Å; T55-C59 PolarHBondContact O-N 3.4Å; T55-C59 PolarHBondContact O-SG 3.34Å; L56-C59 WeakPolarHBondContact O-CB 3.49Å; L56-C59 PolarHBondContact O-N 3.08Å; R57-C59 PolarHBondContact O-N 3.33Å; C59-S63 VanDerWaalsContact O-CB 3.29Å; C59-S63 WeakPolarHBondContact O-CB 3.35Å; C59-S63 PolarHBondContact O-N 2.79Å; C59-S63 PolarHBondContact O-OG 3.39Å; C59-C112 HydrophobicContact CB-CB 4.32Å; C59-C112 VanDerWaalsContact CB-SG 3.53Å; C59-C112 PolarHBondContact O-SG 3.2Å; C59-L115 WeakPolarHBondContact SG-CD1 3.39Å
60	L	79.8	Confident	82.7	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-47.9	179.2	-71.3	173	0	0	0	111.5	L56 R57 S63 A64 I125 R128 L129	L56-L60 HydrophobicContact CD1-CG 4.41Å; L56-L60 HydrophobicContact CG-CD1 4.27Å; L56-L60 WeakPolarHBondContact O-CG 3.1Å; L56-L60 PolarHBondContact O-N 3.4Å; R57-L60 PolarHBondContact O-N 2.96Å; L60-S63 PolarHBondContact O-OG 3.3Å; L60-S63 VanDerWaalsContact O-OG 3.07Å; L60-A64 WeakPolarHBondContact O-CB 3.5Å; L60-A64 PolarHBondContact O-N 2.62Å; L60-I125 HydrophobicContact CD1-CG1 4.29Å; L60-I125 HydrophobicContact CD2-CG2 4.27Å; L60-R128 HydrophobicContact CD2-CB 4.44Å; L60-L129 HydrophobicContact CD2-CD2 4.06Å; L60-L129 HydrophobicContact CD2-CG 4.28Å
61	D	84.9	Confident	82.4	Confident	30 Å²	30	46.6 Å²	46.6	16%	0.16	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-43.5	-177.6	-71	-4.1	0	0	0	111.2	P30 A32 R57 K65	P30-D61 HydrophobicContact CB-CB 3.77Å; P30-D61 HydrophobicContact CG-CB 4.31Å; A32-D61 HydrophobicContact CB-CB 4.28Å; R57-D61 IonicContact CZ-OD1 3.91Å; R57-D61 IonicContact CZ-OD2 3.3Å; R57-D61 VanDerWaalsContact NE-CG 3.28Å; R57-D61 IonicContact NE-OD1 3.84Å; R57-D61 PolarHBondContact NE-OD1 3.26Å; R57-D61 VanDerWaalsContact NE-OD1 3.1Å; R57-D61 IonicContact NE-OD2 3.64Å; R57-D61 PolarHBondContact NE-OD2 3.2Å; R57-D61 IonicContact NH2-OD1 3.09Å; R57-D61 IonicContact NH2-OD2 3.71Å; R57-D61 PolarHBondContact NH2-OD2 2.86Å; R57-D61 WeakPolarHBondContact O-CB 3.37Å; R57-D61 PolarHBondContact O-N 3.34Å; D61-K65 VanDerWaalsContact O-CB 3.25Å; D61-K65 WeakPolarHBondContact O-CB 3.25Å; D61-K65 PolarHBondContact O-N 3.36Å
62	G	86.6	Confident	82.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-48.4	176.8	0	0	0	0	0	112.2	N37 E58 A64 K65 M66	N37-G62 PolarHBondContact ND2-N 2.93Å; E58-G62 PolarHBondContact O-N 3.44Å; G62-A64 PolarHBondContact O-N 3.43Å; G62-K65 PolarHBondContact O-N 2.91Å; G62-M66 WeakPolarHBondContact O-CB 3.28Å; G62-M66 WeakPolarHBondContact O-CG 3.23Å; G62-M66 PolarHBondContact O-N 3.48Å
63	S	82.6	Confident	83.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-39.3	178.2	59.4	0	0	0	0	113.2	C59 L60 A67 C112	C59-S63 VanDerWaalsContact O-CB 3.29Å; C59-S63 WeakPolarHBondContact O-CB 3.35Å; C59-S63 PolarHBondContact O-N 2.79Å; C59-S63 PolarHBondContact O-OG 3.39Å; L60-S63 PolarHBondContact O-OG 3.3Å; L60-S63 VanDerWaalsContact O-OG 3.07Å; S63-A67 PolarHBondContact O-N 3.22Å; S63-C112 VanDerWaalsContact CB-SG 3.55Å; S63-C112 PolarHBondContact OG-SG 2.73Å
64	A	79.9	Confident	82.7	Confident	26 Å²	26	34.4 Å²	34.4	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-43.4	176	0	0	0	0	0	111.8	P30 L60 G62 A67 L68 V132	P30-A64 HydrophobicContact CG-CB 4Å; L60-A64 WeakPolarHBondContact O-CB 3.5Å; L60-A64 PolarHBondContact O-N 2.62Å; G62-A64 PolarHBondContact O-N 3.43Å; A64-A67 PolarHBondContact O-N 3.46Å; A64-L68 WeakPolarHBondContact O-CG 3.29Å; A64-L68 PolarHBondContact O-N 3.09Å; A64-V132 HydrophobicContact CB-CG2 4.07Å
65	K	86.4	Confident	82.1	Confident	42 Å²	42	39.4 Å²	39.4	18%	0.183	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-49.5	174.5	-175.8	65.7	163.1	-154.6	0	111.8	P30 A32 M40 D61 G62 A67 L68 E69	P30-K65 PolarHBondContact O-NZ 3.36Å; A32-K65 HydrophobicContact CB-CB 4.27Å; A32-K65 WeakPolarHBondContact O-CE 3.38Å; A32-K65 WeakPolarHBondContact O-CG 3.33Å; M40-K65 HydrophobicContact CE-CB 4.36Å; M40-K65 HydrophobicContact CE-CG 3.72Å; M40-K65 HydrophobicContact SD-CB 4.09Å; M40-K65 HydrophobicContact SD-CG 3.9Å; D61-K65 VanDerWaalsContact O-CB 3.25Å; D61-K65 WeakPolarHBondContact O-CB 3.25Å; D61-K65 PolarHBondContact O-N 3.36Å; G62-K65 PolarHBondContact O-N 2.91Å; K65-A67 VanDerWaalsContact C-N 3.28Å; K65-A67 PolarHBondContact O-N 2.92Å; K65-L68 PolarHBondContact O-N 2.85Å; K65-L68 VanDerWaalsContact O-N 3.16Å; K65-E69 WeakPolarHBondContact CE-OE1 3.39Å; K65-E69 WeakPolarHBondContact O-CG 3.32Å; K65-E69 PolarHBondContact O-N 3.36Å
66	M	86.7	Confident	82	Confident	13 Å²	13	39.2 Å²	39.2	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-36.4	178.6	-69.9	176	79.9	0	0	112.5	M40 A43 P44 G62 F70 P104 V105 A108	M40-M66 HydrophobicContact CE-CG 4.24Å; M40-M66 HydrophobicContact CG-CG 4.07Å; M40-M66 HydrophobicContact CG-SD 4.2Å; A43-M66 HydrophobicContact CB-CE 3.86Å; A43-M66 HydrophobicContact CB-SD 4.26Å; P44-M66 HydrophobicContact CG-CE 4.48Å; G62-M66 WeakPolarHBondContact O-CB 3.28Å; G62-M66 WeakPolarHBondContact O-CG 3.23Å; G62-M66 PolarHBondContact O-N 3.48Å; M66-F70 VanDerWaalsContact O-CB 3.28Å; M66-F70 WeakPolarHBondContact O-CB 3.48Å; M66-F70 PolarHBondContact O-N 3.25Å; M66-P104 HydrophobicContact CE-CB 3.38Å; M66-P104 WeakPolarHBondContact CE-O 3.33Å; M66-V105 HydrophobicContact CB-CG2 4.26Å; M66-A108 HydrophobicContact CE-CB 4.48Å; M66-A108 HydrophobicContact SD-CB 3.77Å
67	A	80.9	Confident	81.9	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-38.6	175.6	0	0	0	0	0	113.2	S63 A64 K65 F70 E71 V105 V132 V136	S63-A67 PolarHBondContact O-N 3.22Å; A64-A67 PolarHBondContact O-N 3.46Å; K65-A67 VanDerWaalsContact C-N 3.28Å; K65-A67 PolarHBondContact O-N 2.92Å; A67-F70 PolarHBondContact O-N 2.96Å; A67-E71 PolarHBondContact O-N 3.14Å; A67-V105 HydrophobicContact CB-CG1 4.05Å; A67-V132 HydrophobicContact CB-CG1 3.64Å; A67-V136 HydrophobicContact CB-CG2 4.03Å
68	L	80.8	Confident	81.4	Confident	50 Å²	50	32.6 Å²	32.6	26%	0.262	16%	0.164	S	C	.	.	H	α-helix	trans	-65.1	-43.1	173.9	-70.5	172	0	0	0	111.4	I29 A64 K65 F70 E71 S72	I29-L68 HydrophobicContact CB-CD1 4.44Å; I29-L68 HydrophobicContact CG1-CD1 4.2Å; I29-L68 HydrophobicContact CG2-CD1 4.14Å; A64-L68 WeakPolarHBondContact O-CG 3.29Å; A64-L68 PolarHBondContact O-N 3.09Å; K65-L68 PolarHBondContact O-N 2.85Å; K65-L68 VanDerWaalsContact O-N 3.16Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-E71 PolarHBondContact O-N 3.15Å; L68-S72 WeakPolarHBondContact O-CB 3.35Å; L68-S72 PolarHBondContact O-N 3.44Å
69	E	86.1	Confident	80.7	Confident	93 Å²	93	34 Å²	34	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-62.1	-42.5	175.1	-73.4	174.9	178.2	0	0	111.5	K65 S72 W73	K65-E69 WeakPolarHBondContact CE-OE1 3.39Å; K65-E69 WeakPolarHBondContact O-CG 3.32Å; K65-E69 PolarHBondContact O-N 3.36Å; E69-S72 PolarHBondContact O-N 2.91Å; E69-W73 VanDerWaalsContact O-CB 3.3Å; E69-W73 WeakPolarHBondContact O-CB 3.19Å; E69-W73 PolarHBondContact O-N 3.3Å
70	F	84.4	Confident	80.3	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-42.5	174.4	177.9	-102.4	0	0	0	112.4	M66 A67 L68 W73 I74 V98 R101 L102 V105 V136 A139	M66-F70 VanDerWaalsContact O-CB 3.28Å; M66-F70 WeakPolarHBondContact O-CB 3.48Å; M66-F70 PolarHBondContact O-N 3.25Å; A67-F70 PolarHBondContact O-N 2.96Å; L68-F70 VanDerWaalsContact C-N 3.34Å; F70-W73 HydrophobicContact CD2-CE3 4.17Å; F70-W73 HydrophobicContact CE2-CE3 4.18Å; F70-W73 HydrophobicContact CE2-CZ3 4.13Å; F70-W73 PolarHBondContact O-N 2.83Å; F70-I74 HydrophobicContact CD1-CD1 4.05Å; F70-I74 HydrophobicContact CE1-CD1 3.26Å; F70-I74 HydrophobicContact CE1-CG1 4.09Å; F70-I74 HydrophobicContact CE2-CD1 4.05Å; F70-I74 HydrophobicContact CE2-CG1 4.2Å; F70-I74 HydrophobicContact CZ-CD1 3.27Å; F70-I74 HydrophobicContact CZ-CG1 3.91Å; F70-I74 WeakPolarHBondContact O-CB 3.25Å; F70-I74 PolarHBondContact O-N 3.13Å; F70-V98 HydrophobicContact CZ-CG1 4.15Å; F70-R101 HydrophobicContact CD2-CB 4.18Å; F70-R101 HydrophobicContact CE2-CB 3.99Å; F70-L102 HydrophobicContact CD1-CD1 4.3Å; F70-L102 HydrophobicContact CE1-CD1 3.8Å; F70-L102 HydrophobicContact CE2-CB 3.81Å; F70-L102 HydrophobicContact CE2-CD1 4.2Å; F70-L102 HydrophobicContact CZ-CB 3.85Å; F70-L102 HydrophobicContact CZ-CD1 3.74Å; F70-L102 HydrophobicContact CZ-CG 4.3Å; F70-V105 HydrophobicContact CB-CG2 3.93Å; F70-V105 HydrophobicContact CD2-CG2 4.49Å; F70-V105 HydrophobicContact CG-CG2 4.25Å; F70-V136 HydrophobicContact CD1-CG2 4.35Å; F70-V136 HydrophobicContact CE1-CG1 4.25Å; F70-A139 HydrophobicContact CD1-CB 4.42Å; F70-A139 HydrophobicContact CE1-CB 4.31Å
71	E	77.5	Confident	79.7	Confident	53 Å²	53	40.2 Å²	40.2	25%	0.248	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-44.8	175.7	-172.9	-169	145.6	0	0	111.6	A67 L68 I74 R75 A139	A67-E71 PolarHBondContact O-N 3.14Å; L68-E71 PolarHBondContact O-N 3.15Å; E71-I74 PolarHBondContact O-N 2.99Å; E71-R75 PolarHBondContact O-N 3.4Å; E71-R75 VanDerWaalsContact O-N 3.07Å; E71-R75 IonicContact OE1-NH2 3.11Å; E71-R75 PolarHBondContact OE1-NH2 3.06Å; E71-A139 HydrophobicContact CB-CB 4.23Å; E71-A139 HydrophobicContact CG-CB 4.05Å
72	S	82.9	Confident	78.9	Confident	63 Å²	63	42.3 Å²	42.3	44%	0.441	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-46	176.5	-172.9	0	0	0	0	111.8	L68 E69 R75 T76	L68-S72 WeakPolarHBondContact O-CB 3.35Å; L68-S72 PolarHBondContact O-N 3.44Å; E69-S72 PolarHBondContact O-N 2.91Å; S72-R75 WeakPolarHBondContact O-CB 3.29Å; S72-R75 PolarHBondContact O-N 3.07Å; S72-T76 PolarHBondContact O-N 3.16Å; S72-T76 VanDerWaalsContact O-N 3.16Å; S72-T76 PolarHBondContact O-OG1 2.8Å; S72-T76 VanDerWaalsContact O-OG1 3.08Å
73	W	86.2	Confident	78.1	Confident	48 Å²	48	49.9 Å²	49.9	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-47.6	176	173.8	81.9	0	0	0	111.2	E69 F70 R75 T76 H77 E97 V98 R101	E69-W73 VanDerWaalsContact O-CB 3.3Å; E69-W73 WeakPolarHBondContact O-CB 3.19Å; E69-W73 PolarHBondContact O-N 3.3Å; F70-W73 HydrophobicContact CD2-CE3 4.17Å; F70-W73 HydrophobicContact CE2-CE3 4.18Å; F70-W73 HydrophobicContact CE2-CZ3 4.13Å; F70-W73 PolarHBondContact O-N 2.83Å; W73-R75 VanDerWaalsContact C-N 3.25Å; W73-R75 PolarHBondContact O-N 3.35Å; W73-T76 CarbonylContact O-C 3.11Å; W73-T76 WeakPolarHBondContact O-CB 3.32Å; W73-T76 PolarHBondContact O-N 3.27Å; W73-H77 HydrophobicContact CD2-CB 4.46Å; W73-H77 HydrophobicContact CH2-CB 4.1Å; W73-H77 AromaticContact CH2-CD2 3.62Å; W73-H77 AromaticContact CH2-CG 3.79Å; W73-H77 HydrophobicContact CZ2-CB 3.92Å; W73-H77 AromaticContact CZ2-CD2 3.93Å; W73-H77 AromaticContact CZ2-CG 3.67Å; W73-H77 AromaticContact CZ2-ND1 3.92Å; W73-H77 HydrophobicContact CZ3-CB 4.44Å; W73-H77 WeakPolarHBondContact O-CB 3.49Å; W73-H77 PolarHBondContact O-N 2.82Å; W73-E97 HydrophobicContact CH2-CG 4.13Å; W73-E97 HydrophobicContact CZ2-CG 4.02Å; W73-V98 HydrophobicContact CH2-CG2 4.24Å; W73-V98 HydrophobicContact CZ3-CG2 4.31Å; W73-R101 HydrophobicContact CD2-CB 4.48Å; W73-R101 HydrophobicContact CD2-CG 4.2Å; W73-R101 HydrophobicContact CE3-CB 4Å; W73-R101 HydrophobicContact CE3-CG 4.15Å; W73-R101 HydrophobicContact CH2-CB 3.96Å; W73-R101 HydrophobicContact CH2-CG 3.61Å; W73-R101 HydrophobicContact CZ2-CB 4.43Å; W73-R101 HydrophobicContact CZ2-CG 3.65Å; W73-R101 HydrophobicContact CZ3-CB 3.71Å; W73-R101 HydrophobicContact CZ3-CG 3.86Å
74	I	75.8	Confident	77.3	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-53.9	-46.4	177.2	-97.2	-173.8	0	0	0	110.1	F70 E71 T76 H77 C78 V98 A139 F143	F70-I74 HydrophobicContact CD1-CD1 4.05Å; F70-I74 HydrophobicContact CE1-CD1 3.26Å; F70-I74 HydrophobicContact CE1-CG1 4.09Å; F70-I74 HydrophobicContact CE2-CD1 4.05Å; F70-I74 HydrophobicContact CE2-CG1 4.2Å; F70-I74 HydrophobicContact CZ-CD1 3.27Å; F70-I74 HydrophobicContact CZ-CG1 3.91Å; F70-I74 WeakPolarHBondContact O-CB 3.25Å; F70-I74 PolarHBondContact O-N 3.13Å; E71-I74 PolarHBondContact O-N 2.99Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.28Å; I74-H77 WeakPolarHBondContact O-CB 3.47Å; I74-H77 PolarHBondContact O-N 3.22Å; I74-C78 PolarHBondContact O-N 2.99Å; I74-C78 PolarHBondContact O-SG 3.11Å; I74-V98 HydrophobicContact CD1-CG1 4.37Å; I74-A139 HydrophobicContact CB-CB 4.26Å; I74-A139 HydrophobicContact CD1-CB 3.67Å; I74-A139 HydrophobicContact CG2-CB 3.95Å; I74-A139 WeakPolarHBondContact CG2-O 3.32Å; I74-F143 HydrophobicContact CG2-CB 4.07Å
75	R	73	Confident	76.6	Confident	108 Å²	108	55 Å²	55	41%	0.408	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-42.1	-179.6	-175.6	179.7	-62.3	125.3	6.6	111.7	E71 S72 W73 C78 Q79	E71-R75 PolarHBondContact O-N 3.4Å; E71-R75 VanDerWaalsContact O-N 3.07Å; E71-R75 IonicContact OE1-NH2 3.11Å; E71-R75 PolarHBondContact OE1-NH2 3.06Å; S72-R75 WeakPolarHBondContact O-CB 3.29Å; S72-R75 PolarHBondContact O-N 3.07Å; W73-R75 VanDerWaalsContact C-N 3.25Å; W73-R75 PolarHBondContact O-N 3.35Å; R75-C78 WeakPolarHBondContact O-CB 3.37Å; R75-Q79 WeakPolarHBondContact O-CG 3.43Å; R75-Q79 PolarHBondContact O-N 3.36Å
76	T	81.1	Confident	75.4	Confident	59 Å²	59	58.6 Å²	58.6	36%	0.362	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-41.6	177	-50.8	0	0	0	0	111.3	S72 W73 I74 C78 Q79 K80	S72-T76 PolarHBondContact O-N 3.16Å; S72-T76 VanDerWaalsContact O-N 3.16Å; S72-T76 PolarHBondContact O-OG1 2.8Å; S72-T76 VanDerWaalsContact O-OG1 3.08Å; W73-T76 CarbonylContact O-C 3.11Å; W73-T76 WeakPolarHBondContact O-CB 3.32Å; W73-T76 PolarHBondContact O-N 3.27Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.28Å; T76-C78 VanDerWaalsContact C-N 3.33Å; T76-C78 PolarHBondContact O-N 3.07Å; T76-Q79 WeakPolarHBondContact O-CB 3.46Å; T76-Q79 PolarHBondContact O-N 3.45Å; T76-Q79 VanDerWaalsContact O-N 3.14Å; T76-K80 WeakPolarHBondContact O-CG 3.25Å; T76-K80 PolarHBondContact O-N 3.39Å
77	H	77	Confident	74	Confident	11 Å²	11	63.9 Å²	63.9	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-41.9	175.4	-165.2	50	0	0	0	111.6	W73 I74 Q79 K80 L81 N93 E97	W73-H77 HydrophobicContact CD2-CB 4.46Å; W73-H77 HydrophobicContact CH2-CB 4.1Å; W73-H77 AromaticContact CH2-CD2 3.62Å; W73-H77 AromaticContact CH2-CG 3.79Å; W73-H77 HydrophobicContact CZ2-CB 3.92Å; W73-H77 AromaticContact CZ2-CD2 3.93Å; W73-H77 AromaticContact CZ2-CG 3.67Å; W73-H77 AromaticContact CZ2-ND1 3.92Å; W73-H77 HydrophobicContact CZ3-CB 4.44Å; W73-H77 WeakPolarHBondContact O-CB 3.49Å; W73-H77 PolarHBondContact O-N 2.82Å; I74-H77 WeakPolarHBondContact O-CB 3.47Å; I74-H77 PolarHBondContact O-N 3.22Å; H77-Q79 VanDerWaalsContact C-N 3.3Å; H77-Q79 PolarHBondContact O-N 3.44Å; H77-K80 PolarHBondContact O-N 2.97Å; H77-L81 VanDerWaalsContact NE2-CD1 3.32Å; H77-L81 WeakPolarHBondContact NE2-CD1 3.41Å; H77-L81 WeakPolarHBondContact O-CB 3.34Å; H77-L81 WeakPolarHBondContact O-CG 3.36Å; H77-L81 PolarHBondContact O-N 3.43Å; H77-N93 PolarHBondContact NE2-O 2.9Å; H77-E97 VanDerWaalsContact CE1-CD 3.44Å; H77-E97 IonicContact CE1-OE1 3.59Å; H77-E97 IonicContact CE1-OE2 3.67Å; H77-E97 PolarHBondContact CE1-OE2 2.75Å; H77-E97 IonicContact NE2-OE2 3.97Å
78	C	69.4	Low	73.4	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.007	35%	0.348	C	S	.	.	H	α-helix	trans	-56.1	-44.8	173	-58.9	0	0	0	0	112	I74 R75 T76 S82 F143 K146	I74-C78 PolarHBondContact O-N 2.99Å; I74-C78 PolarHBondContact O-SG 3.11Å; R75-C78 WeakPolarHBondContact O-CB 3.37Å; T76-C78 VanDerWaalsContact C-N 3.33Å; T76-C78 PolarHBondContact O-N 3.07Å; C78-S82 WeakPolarHBondContact O-CB 3.5Å; C78-S82 PolarHBondContact O-N 2.96Å; C78-S82 PolarHBondContact O-OG 2.85Å; C78-F143 HydrophobicContact CB-CD2 4.41Å; C78-F143 WeakPolarHBondContact SG-CA 3.46Å; C78-F143 VanDerWaalsContact SG-CD2 3.56Å; C78-K146 HydrophobicContact CB-CD 4.1Å
79	Q	71.3	Confident	72.8	Confident	90 Å²	90	67.8 Å²	67.8	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-66.3	-51.4	-178.3	-74.6	170.5	-30.1	0	0	110.3	R75 T76 H77 L81 S82 E83	R75-Q79 WeakPolarHBondContact O-CG 3.43Å; R75-Q79 PolarHBondContact O-N 3.36Å; T76-Q79 WeakPolarHBondContact O-CB 3.46Å; T76-Q79 PolarHBondContact O-N 3.45Å; T76-Q79 VanDerWaalsContact O-N 3.14Å; H77-Q79 VanDerWaalsContact C-N 3.3Å; H77-Q79 PolarHBondContact O-N 3.44Å; Q79-L81 VanDerWaalsContact C-N 3.32Å; Q79-L81 PolarHBondContact O-N 2.91Å; Q79-S82 WeakPolarHBondContact CA-OG 3.37Å; Q79-S82 WeakPolarHBondContact O-CA 3.2Å; Q79-S82 WeakPolarHBondContact O-CB 3.45Å; Q79-S82 PolarHBondContact O-N 3.39Å; Q79-S82 PolarHBondContact O-OG 2.83Å; Q79-E83 PolarHBondContact O-N 2.97Å; Q79-E83 VanDerWaalsContact O-N 3.08Å
80	K	73.4	Confident	72.1	Confident	134 Å²	134	65.6 Å²	65.6	58%	0.583	33%	0.334	S	S	*	.	H	α-helix	trans	-53.5	-48.6	175.1	-72.2	-179.4	177.2	-177.2	0	111.9	T76 H77 S82 E83 A84	T76-K80 WeakPolarHBondContact O-CG 3.25Å; T76-K80 PolarHBondContact O-N 3.39Å; H77-K80 PolarHBondContact O-N 2.97Å; K80-S82 VanDerWaalsContact C-N 3.31Å; K80-S82 PolarHBondContact O-N 3.31Å; K80-E83 PolarHBondContact O-N 2.91Å; K80-A84 PolarHBondContact O-N 2.87Å
81	L	67.8	Low	71.7	Confident	11 Å²	11	65.3 Å²	65.3	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-35.9	178.3	-69.1	170.5	0	0	0	111.2	H77 Q79 E83 A84 L89 F143 K147	H77-L81 VanDerWaalsContact NE2-CD1 3.32Å; H77-L81 WeakPolarHBondContact NE2-CD1 3.41Å; H77-L81 WeakPolarHBondContact O-CB 3.34Å; H77-L81 WeakPolarHBondContact O-CG 3.36Å; H77-L81 PolarHBondContact O-N 3.43Å; Q79-L81 VanDerWaalsContact C-N 3.32Å; Q79-L81 PolarHBondContact O-N 2.91Å; L81-E83 VanDerWaalsContact C-N 3.26Å; L81-E83 PolarHBondContact O-N 3.31Å; L81-A84 WeakPolarHBondContact O-CB 3.41Å; L81-A84 PolarHBondContact O-N 3.22Å; L81-L89 HydrophobicContact CD2-CD2 3.52Å; L81-F143 HydrophobicContact CD1-CE2 3.39Å; L81-F143 HydrophobicContact CD1-CZ 3.69Å; L81-K147 VanDerWaalsContact C-NZ 3.3Å; L81-K147 WeakPolarHBondContact O-CE 3.47Å; L81-K147 PolarHBondContact O-NZ 3.08Å
82	S	66.5	Low	71.9	Confident	75 Å²	75	71.3 Å²	71.3	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-28.6	177.2	72.2	0	0	0	0	114	C78 Q79 K80	C78-S82 WeakPolarHBondContact O-CB 3.5Å; C78-S82 PolarHBondContact O-N 2.96Å; C78-S82 PolarHBondContact O-OG 2.85Å; Q79-S82 WeakPolarHBondContact CA-OG 3.37Å; Q79-S82 WeakPolarHBondContact O-CA 3.2Å; Q79-S82 WeakPolarHBondContact O-CB 3.45Å; Q79-S82 PolarHBondContact O-N 3.39Å; Q79-S82 PolarHBondContact O-OG 2.83Å; K80-S82 VanDerWaalsContact C-N 3.31Å; K80-S82 PolarHBondContact O-N 3.31Å
83	E	71.1	Confident	71.6	Confident	158 Å²	158	70.5 Å²	70.5	74%	0.738	34%	0.344	S	S	*	.	H	α-helix	trans	-87.4	-22.4	176.3	-67.3	164.8	-170.3	0	0	112.4	Q79 K80 L81	Q79-E83 PolarHBondContact O-N 2.97Å; Q79-E83 VanDerWaalsContact O-N 3.08Å; K80-E83 PolarHBondContact O-N 2.91Å; L81-E83 VanDerWaalsContact C-N 3.26Å; L81-E83 PolarHBondContact O-N 3.31Å
84	A	65.4	Low	70.9	Confident	37 Å²	37	68.7 Å²	68.7	31%	0.306	34%	0.338	S	S	.	.	S	Bend	trans	-63.6	144	179.2	0	0	0	0	0	112.5	K80 L81 K86 L89	K80-A84 PolarHBondContact O-N 2.87Å; L81-A84 WeakPolarHBondContact O-CB 3.41Å; L81-A84 PolarHBondContact O-N 3.22Å; A84-K86 PolarHBondContact O-N 3.31Å; A84-L89 HydrophobicContact CB-CD2 4.28Å
85	N	65.1	Low	70.9	Confident	97 Å²	97	68.7 Å²	68.7	52%	0.519	34%	0.338	S	S	.	.			trans	-63.6	136.9	175.5	-163.1	-4	0	0	0	109.8	L87 D88	N85-L87 PolarHBondContact O-N 2.9Å; N85-D88 PolarHBondContact O-N 3Å
86	K	60.3	Low	71.3	Confident	117 Å²	117	66.3 Å²	66.3	51%	0.509	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.5	-23.6	-179.7	-67.5	-176.7	-179.7	-178.2	0	112.3	A84 D88 K165	A84-K86 PolarHBondContact O-N 3.31Å; K86-D88 PolarHBondContact O-N 3.07Å; K86-K165 PolarHBondContact O-NZ 2.99Å
87	L	57.9	Low	71.4	Confident	124 Å²	124	66.7 Å²	66.7	65%	0.649	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.6	-21.8	178.1	-75.3	164.6	0	0	0	113.2	N85 K165	N85-L87 PolarHBondContact O-N 2.9Å; L87-K165 PolarHBondContact O-NZ 3.35Å
88	D	68.4	Low	71.5	Confident	105 Å²	105	66.4 Å²	66.4	56%	0.561	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-101.3	1	-172.2	-54.8	-32.6	0	0	0	114	N85 K86 N93	N85-D88 PolarHBondContact O-N 3Å; K86-D88 PolarHBondContact O-N 3.07Å; D88-N93 PolarHBondContact O-ND2 3.48Å
89	L	67.9	Low	72.2	Confident	30 Å²	30	66.4 Å²	66.4	16%	0.157	33%	0.328	C	S	.	.			trans	-90.2	130.3	-177	-59.5	175.1	0	0	0	112	L81 A84 V94	L81-L89 HydrophobicContact CD2-CD2 3.52Å; A84-L89 HydrophobicContact CB-CD2 4.28Å; L89-V94 HydrophobicContact CB-CG2 4.29Å; L89-V94 HydrophobicContact CD2-CG2 4.21Å
90	D	72.2	Confident	72.9	Confident	46 Å²	46	66.8 Å²	66.8	25%	0.246	33%	0.331	C	S	.	.			trans	-140.8	-179.9	175.7	71.2	12.8	0	0	0	111.9	R92 N93 V94	D90-R92 VanDerWaalsContact C-N 3.25Å; D90-R92 PolarHBondContact O-N 3.32Å; D90-R92 WeakPolarHBondContact OD1-CA 3.2Å; D90-R92 WeakPolarHBondContact OD1-CB 3.18Å; D90-R92 PolarHBondContact OD1-N 3.16Å; D90-N93 PolarHBondContact N-OD1 3.3Å; D90-N93 PolarHBondContact O-OD1 2.95Å; D90-N93 VanDerWaalsContact OD1-CG 3.27Å; D90-N93 PolarHBondContact OD1-N 3.06Å; D90-N93 PolarHBondContact OD1-OD1 3.36Å; D90-V94 VanDerWaalsContact O-CB 3.29Å; D90-V94 WeakPolarHBondContact O-CB 3.28Å; D90-V94 VanDerWaalsContact O-CG2 3.23Å; D90-V94 WeakPolarHBondContact O-CG2 3.48Å; D90-V94 PolarHBondContact O-N 2.92Å
91	F	76.2	Confident	73.5	Confident	3 Å²	3	67 Å²	67	1%	0.013	33%	0.328	C	S	.	.	H	α-helix	trans	-61.4	-36.1	179.5	-178.8	-83.8	0	0	0	112.3	V95 E96 L162 M168 Q172 L175 L176 F467	F91-V95 HydrophobicContact CD1-CB 4.48Å; F91-V95 HydrophobicContact CD2-CB 4.05Å; F91-V95 HydrophobicContact CD2-CG2 4.12Å; F91-V95 HydrophobicContact CE1-CB 4.23Å; F91-V95 HydrophobicContact CE1-CG1 4.4Å; F91-V95 HydrophobicContact CE2-CB 3.81Å; F91-V95 HydrophobicContact CE2-CG1 3.82Å; F91-V95 HydrophobicContact CE2-CG2 4.14Å; F91-V95 HydrophobicContact CG-CB 4.39Å; F91-V95 HydrophobicContact CZ-CB 3.93Å; F91-V95 HydrophobicContact CZ-CG1 3.75Å; F91-V95 PolarHBondContact O-N 3.38Å; F91-E96 HydrophobicContact CD1-CB 4.18Å; F91-E96 HydrophobicContact CE1-CB 3.98Å; F91-E96 PolarHBondContact O-N 3.17Å; F91-E96 VanDerWaalsContact O-N 3.09Å; F91-L162 HydrophobicContact CB-CD2 4.38Å; F91-M168 HydrophobicContact CB-CG 4.44Å; F91-M168 HydrophobicContact CB-SD 4.32Å; F91-M168 HydrophobicContact CD2-SD 3.88Å; F91-M168 HydrophobicContact CG-SD 4.42Å; F91-Q172 HydrophobicContact CD1-CB 4.24Å; F91-Q172 HydrophobicContact CD1-CG 3.77Å; F91-Q172 HydrophobicContact CD2-CB 4.09Å; F91-Q172 HydrophobicContact CE1-CB 4.01Å; F91-Q172 HydrophobicContact CE1-CG 3.51Å; F91-Q172 HydrophobicContact CE2-CB 3.82Å; F91-Q172 HydrophobicContact CE2-CG 4.27Å; F91-Q172 WeakPolarHBondContact CE2-O 3.38Å; F91-Q172 HydrophobicContact CG-CB 4.28Å; F91-Q172 HydrophobicContact CG-CG 4.28Å; F91-Q172 HydrophobicContact CZ-CB 3.77Å; F91-Q172 HydrophobicContact CZ-CG 3.75Å; F91-L175 HydrophobicContact CZ-CD2 4.04Å; F91-L176 HydrophobicContact CE2-CB 4.41Å; F91-F467 HydrophobicContact CE1-CE1 4.29Å; F91-F467 AromaticContact CE1-CZ 3.79Å; F91-F467 HydrophobicContact CE1-CZ 3.79Å; F91-F467 HydrophobicContact CZ-CE2 4.38Å; F91-F467 HydrophobicContact CZ-CZ 4.06Å
92	R	80.6	Confident	74.2	Confident	179 Å²	179	66.4 Å²	66.4	68%	0.675	33%	0.325	S	S	*	.	I	π-helix	trans	-68.5	-47.8	-172.4	-177	-179.4	175.4	-176	-0.4	111.3	D90 E96 E97	D90-R92 VanDerWaalsContact C-N 3.25Å; D90-R92 PolarHBondContact O-N 3.32Å; D90-R92 WeakPolarHBondContact OD1-CA 3.2Å; D90-R92 WeakPolarHBondContact OD1-CB 3.18Å; D90-R92 PolarHBondContact OD1-N 3.16Å; R92-E96 WeakPolarHBondContact O-CB 3.45Å; R92-E97 PolarHBondContact O-N 2.93Å
93	N	76.6	Confident	75.1	Confident	46 Å²	46	63.1 Å²	63.1	25%	0.246	30%	0.303	C	S	.	.	I	π-helix	trans	-83.7	-14.2	-179.1	66.2	15.9	0	0	0	114.3	H77 D88 D90	H77-N93 PolarHBondContact NE2-O 2.9Å; D88-N93 PolarHBondContact O-ND2 3.48Å; D90-N93 PolarHBondContact N-OD1 3.3Å; D90-N93 PolarHBondContact O-OD1 2.95Å; D90-N93 VanDerWaalsContact OD1-CG 3.27Å; D90-N93 PolarHBondContact OD1-N 3.06Å; D90-N93 PolarHBondContact OD1-OD1 3.36Å
94	V	72.4	Confident	75.9	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	27%	0.274	C	S	.	.	I	π-helix	trans	-96.3	-54.3	176.5	178.9	0	0	0	0	112.3	L89 D90 V98 F143	L89-V94 HydrophobicContact CB-CG2 4.29Å; L89-V94 HydrophobicContact CD2-CG2 4.21Å; D90-V94 VanDerWaalsContact O-CB 3.29Å; D90-V94 WeakPolarHBondContact O-CB 3.28Å; D90-V94 VanDerWaalsContact O-CG2 3.23Å; D90-V94 WeakPolarHBondContact O-CG2 3.48Å; D90-V94 PolarHBondContact O-N 2.92Å; V94-V98 WeakPolarHBondContact O-CG2 3.44Å; V94-F143 HydrophobicContact CG1-CE1 4.3Å; V94-F143 HydrophobicContact CG1-CZ 3.91Å; V94-F143 VanDerWaalsContact O-CE1 3.29Å; V94-F143 WeakPolarHBondContact O-CE1 3.41Å; V94-F143 VanDerWaalsContact O-CZ 3.25Å; V94-F143 WeakPolarHBondContact O-CZ 3.39Å
95	V	76	Confident	76.8	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.012	26%	0.262	C	S	.	.	I	π-helix	trans	-102.4	-50.1	-169	-176.7	0	0	0	0	111.2	F91 E97 V98 E99 L175 Y179	F91-V95 HydrophobicContact CD1-CB 4.48Å; F91-V95 HydrophobicContact CD2-CB 4.05Å; F91-V95 HydrophobicContact CD2-CG2 4.12Å; F91-V95 HydrophobicContact CE1-CB 4.23Å; F91-V95 HydrophobicContact CE1-CG1 4.4Å; F91-V95 HydrophobicContact CE2-CB 3.81Å; F91-V95 HydrophobicContact CE2-CG1 3.82Å; F91-V95 HydrophobicContact CE2-CG2 4.14Å; F91-V95 HydrophobicContact CG-CB 4.39Å; F91-V95 HydrophobicContact CZ-CB 3.93Å; F91-V95 HydrophobicContact CZ-CG1 3.75Å; F91-V95 PolarHBondContact O-N 3.38Å; V95-E97 PolarHBondContact O-N 3.41Å; V95-V98 WeakPolarHBondContact O-CB 3.36Å; V95-V98 PolarHBondContact O-N 2.92Å; V95-V98 VanDerWaalsContact O-N 3.13Å; V95-E99 PolarHBondContact O-N 3.38Å; V95-E99 VanDerWaalsContact O-N 3.15Å; V95-L175 HydrophobicContact CG1-CD2 3.77Å; V95-L175 HydrophobicContact CG1-CG 4.34Å; V95-Y179 HydrophobicContact CG1-CD2 4.22Å; V95-Y179 HydrophobicContact CG1-CE2 3.98Å
96	E	80.6	Confident	77.6	Confident	59 Å²	59	52 Å²	52	28%	0.276	24%	0.244	S	C	.	.	I	π-helix	trans	-64.8	-39.3	-175	-168.6	170.5	176.7	0	0	112.3	F91 R92 V98 E99 M100 F467	F91-E96 HydrophobicContact CD1-CB 4.18Å; F91-E96 HydrophobicContact CE1-CB 3.98Å; F91-E96 PolarHBondContact O-N 3.17Å; F91-E96 VanDerWaalsContact O-N 3.09Å; R92-E96 WeakPolarHBondContact O-CB 3.45Å; E96-V98 PolarHBondContact O-N 2.78Å; E96-E99 PolarHBondContact O-N 3.06Å; E96-E99 VanDerWaalsContact O-N 3.14Å; E96-M100 WeakPolarHBondContact O-CG 3.16Å; E96-M100 PolarHBondContact O-N 2.84Å; E96-F467 HydrophobicContact CG-CE1 4.21Å
97	E	82.3	Confident	78.7	Confident	67 Å²	67	47.8 Å²	47.8	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-35.9	174.7	-169.5	175.1	174	0	0	112.5	W73 H77 R92 V95 R101	W73-E97 HydrophobicContact CH2-CG 4.13Å; W73-E97 HydrophobicContact CZ2-CG 4.02Å; H77-E97 VanDerWaalsContact CE1-CD 3.44Å; H77-E97 IonicContact CE1-OE1 3.59Å; H77-E97 IonicContact CE1-OE2 3.67Å; H77-E97 PolarHBondContact CE1-OE2 2.75Å; H77-E97 IonicContact NE2-OE2 3.97Å; R92-E97 PolarHBondContact O-N 2.93Å; V95-E97 PolarHBondContact O-N 3.41Å; E97-R101 WeakPolarHBondContact O-CB 3.44Å; E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.33Å; E97-R101 PolarHBondContact O-N 3.4Å
98	V	79.6	Confident	79.9	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-42.8	175.7	176.1	0	0	0	0	110.9	F70 W73 I74 V94 V95 E96 R101 L102 F143	F70-V98 HydrophobicContact CZ-CG1 4.15Å; W73-V98 HydrophobicContact CH2-CG2 4.24Å; W73-V98 HydrophobicContact CZ3-CG2 4.31Å; I74-V98 HydrophobicContact CD1-CG1 4.37Å; V94-V98 WeakPolarHBondContact O-CG2 3.44Å; V95-V98 WeakPolarHBondContact O-CB 3.36Å; V95-V98 PolarHBondContact O-N 2.92Å; V95-V98 VanDerWaalsContact O-N 3.13Å; E96-V98 PolarHBondContact O-N 2.78Å; V98-R101 PolarHBondContact O-N 3.36Å; V98-L102 WeakPolarHBondContact O-CB 3.33Å; V98-L102 PolarHBondContact O-N 2.74Å; V98-F143 HydrophobicContact CG2-CD1 3.94Å; V98-F143 HydrophobicContact CG2-CE1 3.61Å; V98-F143 HydrophobicContact CG2-CZ 4.07Å
99	E	83.6	Confident	80.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-47.2	175.3	-67.4	-58.6	108.8	0	0	111.3	V95 E96 R101 L102 A103 K140 L175 Y179 V417 F467	V95-E99 PolarHBondContact O-N 3.38Å; V95-E99 VanDerWaalsContact O-N 3.15Å; E96-E99 PolarHBondContact O-N 3.06Å; E96-E99 VanDerWaalsContact O-N 3.14Å; E99-R101 VanDerWaalsContact C-N 3.32Å; E99-R101 PolarHBondContact O-N 3.33Å; E99-L102 PolarHBondContact O-N 2.75Å; E99-L102 VanDerWaalsContact O-N 3.11Å; E99-A103 PolarHBondContact O-N 2.81Å; E99-K140 IonicContact OE1-NZ 3.46Å; E99-L175 HydrophobicContact CG-CD2 3.9Å; E99-Y179 PolarHBondContact OE1-OH 3.2Å; E99-V417 HydrophobicContact CB-CG1 4.35Å; E99-F467 HydrophobicContact CB-CD1 4.5Å; E99-F467 HydrophobicContact CG-CD1 4.22Å
100	M	86.1	Confident	80.9	Confident	98 Å²	98	36.9 Å²	36.9	48%	0.483	17%	0.174	S	C	.	.	H	α-helix	trans	-60.4	-39.8	179.2	-68.9	-60.8	-59.6	0	0	112.5	E96 L102 P104 V417	E96-M100 WeakPolarHBondContact O-CG 3.16Å; E96-M100 PolarHBondContact O-N 2.84Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-P104 WeakPolarHBondContact O-CD 3.45Å; M100-V417 HydrophobicContact CG-CG1 4.25Å; M100-V417 HydrophobicContact SD-CG1 3.38Å; M100-V417 WeakPolarHBondContact SD-CG1 3.21Å
101	R	85.9	Confident	81.2	Confident	137 Å²	137	35.1 Å²	35.1	52%	0.517	17%	0.165	S	C	.	.	H	α-helix	trans	-75	-23.8	177.6	-70.4	-67	-170.4	155.5	-1	113.4	F70 W73 E97 V98 E99	F70-R101 HydrophobicContact CD2-CB 4.18Å; F70-R101 HydrophobicContact CE2-CB 3.99Å; W73-R101 HydrophobicContact CD2-CB 4.48Å; W73-R101 HydrophobicContact CD2-CG 4.2Å; W73-R101 HydrophobicContact CE3-CB 4Å; W73-R101 HydrophobicContact CE3-CG 4.15Å; W73-R101 HydrophobicContact CH2-CB 3.96Å; W73-R101 HydrophobicContact CH2-CG 3.61Å; W73-R101 HydrophobicContact CZ2-CB 4.43Å; W73-R101 HydrophobicContact CZ2-CG 3.65Å; W73-R101 HydrophobicContact CZ3-CB 3.71Å; W73-R101 HydrophobicContact CZ3-CG 3.86Å; E97-R101 WeakPolarHBondContact O-CB 3.44Å; E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.33Å; E97-R101 PolarHBondContact O-N 3.4Å; V98-R101 PolarHBondContact O-N 3.36Å; E99-R101 VanDerWaalsContact C-N 3.32Å; E99-R101 PolarHBondContact O-N 3.33Å
102	L	83.4	Confident	81.3	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-82.9	-32.4	179.5	178.7	65.3	0	0	0	112.9	F70 V98 E99 M100 P104 V105 Q106 V136	F70-L102 HydrophobicContact CD1-CD1 4.3Å; F70-L102 HydrophobicContact CE1-CD1 3.8Å; F70-L102 HydrophobicContact CE2-CB 3.81Å; F70-L102 HydrophobicContact CE2-CD1 4.2Å; F70-L102 HydrophobicContact CZ-CB 3.85Å; F70-L102 HydrophobicContact CZ-CD1 3.74Å; F70-L102 HydrophobicContact CZ-CG 4.3Å; V98-L102 WeakPolarHBondContact O-CB 3.33Å; V98-L102 PolarHBondContact O-N 2.74Å; E99-L102 PolarHBondContact O-N 2.75Å; E99-L102 VanDerWaalsContact O-N 3.11Å; M100-L102 VanDerWaalsContact C-N 3.32Å; L102-P104 VanDerWaalsContact C-CD 3.49Å; L102-V105 HydrophobicContact CD1-CB 4.22Å; L102-V105 WeakPolarHBondContact O-CA 3.19Å; L102-V105 WeakPolarHBondContact O-CB 3.46Å; L102-V105 PolarHBondContact O-N 3.33Å; L102-Q106 HydrophobicContact CD1-CG 4.21Å; L102-Q106 HydrophobicContact CD2-CG 4.27Å; L102-Q106 HydrophobicContact CG-CG 3.86Å; L102-Q106 PolarHBondContact O-N 3.35Å; L102-V136 HydrophobicContact CD1-CB 4.48Å; L102-V136 HydrophobicContact CD1-CG1 3.34Å; L102-V136 HydrophobicContact CD1-CG2 4.33Å
103	A	86	Confident	81	Confident	6 Å²	6	32.2 Å²	32.2	5%	0.05	15%	0.154	C	C	.	.	H	α-helix	trans	-51.4	-44.6	-174.8	0	0	0	0	0	114	E99 V105 Q106 Y107 V417 Y419	E99-A103 PolarHBondContact O-N 2.81Å; A103-V105 VanDerWaalsContact C-N 3.3Å; A103-V105 PolarHBondContact O-N 3.17Å; A103-Q106 PolarHBondContact O-N 2.87Å; A103-Y107 WeakPolarHBondContact O-CB 3.25Å; A103-Y107 PolarHBondContact O-N 2.95Å; A103-V417 HydrophobicContact CB-CB 3.93Å; A103-V417 HydrophobicContact CB-CG1 3.7Å; A103-Y419 HydrophobicContact CB-CD2 3.75Å; A103-Y419 HydrophobicContact CB-CE2 3.47Å; A103-Y419 VanDerWaalsContact CB-CE2 3.47Å
104	P	87.6	Confident	80.9	Confident	21 Å²	21	31 Å²	31	14%	0.136	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-37.1	174.5	-20.1	28.4	0	0	0	113.4	A43 P44 M66 M100 L102 A108 Y419	A43-P104 HydrophobicContact CB-CB 4.5Å; P44-P104 HydrophobicContact CG-CB 4.45Å; M66-P104 HydrophobicContact CE-CB 3.38Å; M66-P104 WeakPolarHBondContact CE-O 3.33Å; M100-P104 WeakPolarHBondContact O-CD 3.45Å; L102-P104 VanDerWaalsContact C-CD 3.49Å; P104-A108 WeakPolarHBondContact O-CB 3.49Å; P104-A108 PolarHBondContact O-N 2.88Å; P104-Y419 WeakPolarHBondContact CG-OH 3.45Å
105	V	84.1	Confident	81	Confident	9 Å²	9	31.1 Å²	31.1	6%	0.055	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-40.9	179.1	-170.3	0	0	0	0	110.6	M66 A67 F70 L102 A103 G109 V136	M66-V105 HydrophobicContact CB-CG2 4.26Å; A67-V105 HydrophobicContact CB-CG1 4.05Å; F70-V105 HydrophobicContact CB-CG2 3.93Å; F70-V105 HydrophobicContact CD2-CG2 4.49Å; F70-V105 HydrophobicContact CG-CG2 4.25Å; L102-V105 HydrophobicContact CD1-CB 4.22Å; L102-V105 WeakPolarHBondContact O-CA 3.19Å; L102-V105 WeakPolarHBondContact O-CB 3.46Å; L102-V105 PolarHBondContact O-N 3.33Å; A103-V105 VanDerWaalsContact C-N 3.3Å; A103-V105 PolarHBondContact O-N 3.17Å; V105-G109 PolarHBondContact O-N 3.04Å; V105-V136 HydrophobicContact CG1-CG2 3.74Å
106	Q	81.4	Confident	80.6	Confident	29 Å²	29	31.6 Å²	31.6	14%	0.136	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-42.3	176.1	-76.3	174.5	-31.1	0	0	111.7	L102 A103 G109 G110	L102-Q106 HydrophobicContact CD1-CG 4.21Å; L102-Q106 HydrophobicContact CD2-CG 4.27Å; L102-Q106 HydrophobicContact CG-CG 3.86Å; L102-Q106 PolarHBondContact O-N 3.35Å; A103-Q106 PolarHBondContact O-N 2.87Å; Q106-G109 PolarHBondContact O-N 2.9Å; Q106-G110 PolarHBondContact O-N 3.42Å
107	Y	84	Confident	79.8	Confident	28 Å²	28	31.6 Å²	31.6	11%	0.11	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-50.6	173.8	-177.4	-87.6	0	0	0	111.6	A43 E47 P49 A103 G109 G110 T111 Y419 I422	A43-Y107 HydrophobicContact CB-CD1 3.56Å; A43-Y107 HydrophobicContact CB-CE1 4.16Å; A43-Y107 HydrophobicContact CB-CG 4.45Å; E47-Y107 PolarHBondContact O-OH 3.14Å; P49-Y107 WeakPolarHBondContact CD-OH 3.33Å; P49-Y107 HydrophobicContact CG-CE1 3.99Å; A103-Y107 WeakPolarHBondContact O-CB 3.25Å; A103-Y107 PolarHBondContact O-N 2.95Å; Y107-G109 PolarHBondContact O-N 2.95Å; Y107-G110 PolarHBondContact O-N 3.5Å; Y107-T111 PolarHBondContact O-N 2.9Å; Y107-T111 PolarHBondContact O-OG1 3.34Å; Y107-Y419 AromaticContact CD2-CD1 3.66Å; Y107-Y419 HydrophobicContact CD2-CD1 3.66Å; Y107-Y419 AromaticContact CD2-CE1 3.92Å; Y107-Y419 HydrophobicContact CD2-CE1 3.92Å; Y107-Y419 HydrophobicContact CE2-CD1 4.16Å; Y107-Y419 HydrophobicContact CE2-CE1 4.49Å; Y107-Y419 HydrophobicContact CG-CD1 4.26Å; Y107-Y419 HydrophobicContact CG-CE1 4.08Å; Y107-I422 HydrophobicContact CE2-CD1 4.49Å
108	A	82.8	Confident	79	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-48.6	176.4	0	0	0	0	0	111.1	L39 A43 M66 P104 G110 T111 C112	L39-A108 HydrophobicContact CD1-CB 4.44Å; L39-A108 HydrophobicContact CD2-CB 3.81Å; L39-A108 HydrophobicContact CG-CB 4Å; A43-A108 HydrophobicContact CB-CB 4.29Å; M66-A108 HydrophobicContact CE-CB 4.48Å; M66-A108 HydrophobicContact SD-CB 3.77Å; P104-A108 WeakPolarHBondContact O-CB 3.49Å; P104-A108 PolarHBondContact O-N 2.88Å; A108-G110 VanDerWaalsContact C-N 3.3Å; A108-G110 PolarHBondContact O-N 3.45Å; A108-T111 WeakPolarHBondContact O-CB 3.22Å; A108-T111 PolarHBondContact O-N 3.3Å; A108-C112 PolarHBondContact O-N 3.49Å; A108-C112 PolarHBondContact O-SG 3.37Å
109	G	78.1	Confident	78.3	Confident	5 Å²	5	36.9 Å²	36.9	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-34.3	177.9	0	0	0	0	0	113.8	V105 Q106 Y107 R113	V105-G109 PolarHBondContact O-N 3.04Å; Q106-G109 PolarHBondContact O-N 2.9Å; Y107-G109 PolarHBondContact O-N 2.95Å; G109-R113 WeakPolarHBondContact O-CG 3.43Å; G109-R113 PolarHBondContact O-N 2.96Å; G109-R113 PolarHBondContact O-NH1 2.87Å; G109-R113 VanDerWaalsContact O-NH1 3.13Å
110	G	79.3	Confident	77	Confident	24 Å²	24	45.6 Å²	45.6	25%	0.247	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-47.3	172.2	0	0	0	0	0	112.2	Q106 Y107 A108 C112 R113 L114	Q106-G110 PolarHBondContact O-N 3.42Å; Y107-G110 PolarHBondContact O-N 3.5Å; A108-G110 VanDerWaalsContact C-N 3.3Å; A108-G110 PolarHBondContact O-N 3.45Å; G110-C112 VanDerWaalsContact C-N 3.32Å; G110-C112 PolarHBondContact O-N 3.42Å; G110-R113 PolarHBondContact O-N 2.78Å; G110-R113 VanDerWaalsContact O-N 3.16Å; G110-L114 PolarHBondContact O-N 2.9Å
111	T	79.6	Confident	75.6	Confident	9 Å²	9	46.6 Å²	46.6	6%	0.055	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-42.9	175.6	-58.4	0	0	0	0	111.7	L39 P49 F51 L54 Y107 A108 R113 L114 L115	L39-T111 HydrophobicContact CD1-CG2 3.91Å; P49-T111 HydrophobicContact CB-CG2 3.9Å; P49-T111 HydrophobicContact CG-CG2 3.69Å; F51-T111 HydrophobicContact CE1-CG2 3.99Å; L54-T111 HydrophobicContact CD2-CG2 4.03Å; Y107-T111 PolarHBondContact O-N 2.9Å; Y107-T111 PolarHBondContact O-OG1 3.34Å; A108-T111 WeakPolarHBondContact O-CB 3.22Å; A108-T111 PolarHBondContact O-N 3.3Å; T111-R113 PolarHBondContact O-N 3.45Å; T111-L114 WeakPolarHBondContact O-CB 3.44Å; T111-L114 PolarHBondContact O-N 3.23Å; T111-L115 HydrophobicContact CG2-CD1 4.19Å; T111-L115 PolarHBondContact O-N 3.14Å
112	C	77.5	Confident	74.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-44	175.6	-59.1	0	0	0	0	112.6	C59 S63 A108 G110 L114 L115 A116 L129	C59-C112 HydrophobicContact CB-CB 4.32Å; C59-C112 VanDerWaalsContact CB-SG 3.53Å; C59-C112 PolarHBondContact O-SG 3.2Å; S63-C112 VanDerWaalsContact CB-SG 3.55Å; S63-C112 PolarHBondContact OG-SG 2.73Å; A108-C112 PolarHBondContact O-N 3.49Å; A108-C112 PolarHBondContact O-SG 3.37Å; G110-C112 VanDerWaalsContact C-N 3.32Å; G110-C112 PolarHBondContact O-N 3.42Å; C112-L114 VanDerWaalsContact C-N 3.29Å; C112-L114 PolarHBondContact O-N 3.06Å; C112-L115 PolarHBondContact O-N 2.86Å; C112-A116 WeakPolarHBondContact O-CB 3.39Å; C112-A116 PolarHBondContact O-N 3.34Å; C112-L129 HydrophobicContact CB-CD1 4.3Å; C112-L129 HydrophobicContact CB-CD2 3.57Å
113	R	75.2	Confident	72.8	Confident	122 Å²	122	48.7 Å²	48.7	46%	0.46	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-40.3	178.2	-76	-170.8	-59.9	-83.9	5.9	111.3	G109 G110 T111 G117 L129	G109-R113 WeakPolarHBondContact O-CG 3.43Å; G109-R113 PolarHBondContact O-N 2.96Å; G109-R113 PolarHBondContact O-NH1 2.87Å; G109-R113 VanDerWaalsContact O-NH1 3.13Å; G110-R113 PolarHBondContact O-N 2.78Å; G110-R113 VanDerWaalsContact O-N 3.16Å; T111-R113 PolarHBondContact O-N 3.45Å; R113-G117 PolarHBondContact O-N 3.38Å; R113-L129 HydrophobicContact CG-CD1 3.71Å
114	L	73.9	Confident	71.4	Confident	19 Å²	19	52.8 Å²	52.8	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-56.4	176.5	175.1	67	0	0	0	111.5	F51 G110 T111 C112 A116 G117 V118 Y424 H426	F51-L114 HydrophobicContact CE1-CD2 3.66Å; F51-L114 HydrophobicContact CZ-CD2 3.82Å; G110-L114 PolarHBondContact O-N 2.9Å; T111-L114 WeakPolarHBondContact O-CB 3.44Å; T111-L114 PolarHBondContact O-N 3.23Å; C112-L114 VanDerWaalsContact C-N 3.29Å; C112-L114 PolarHBondContact O-N 3.06Å; L114-A116 PolarHBondContact O-N 3.46Å; L114-G117 PolarHBondContact O-N 3.03Å; L114-V118 PolarHBondContact O-N 2.95Å; L114-Y424 HydrophobicContact CD1-CD1 3.82Å; L114-Y424 HydrophobicContact CD1-CD2 3.95Å; L114-Y424 HydrophobicContact CD1-CG 3.48Å; L114-Y424 VanDerWaalsContact CD1-CG 3.48Å; L114-Y424 HydrophobicContact CD2-CD1 3.64Å; L114-Y424 HydrophobicContact CD2-CD2 3.62Å; L114-Y424 HydrophobicContact CD2-CE1 3.49Å; L114-Y424 VanDerWaalsContact CD2-CE1 3.49Å; L114-Y424 HydrophobicContact CD2-CE2 3.47Å; L114-Y424 VanDerWaalsContact CD2-CE2 3.47Å; L114-Y424 HydrophobicContact CD2-CG 3.7Å; L114-Y424 HydrophobicContact CG-CD1 4.38Å; L114-Y424 HydrophobicContact CG-CD2 4.33Å; L114-Y424 HydrophobicContact CG-CG 4.22Å; L114-H426 VanDerWaalsContact CD1-CE1 3.49Å; L114-H426 WeakPolarHBondContact CD1-CE1 3.49Å; L114-H426 WeakPolarHBondContact CD1-NE2 3.34Å
115	L	73.6	Confident	70.1	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-35.8	-179.1	-80	166.8	0	0	0	112	F51 L54 C59 T111 C112 G117 V118 M119	F51-L115 HydrophobicContact CD1-CD1 4.45Å; F51-L115 HydrophobicContact CD1-CD2 4.2Å; F51-L115 HydrophobicContact CD1-CG 4.33Å; L54-L115 HydrophobicContact CD2-CD1 3.76Å; L54-L115 HydrophobicContact CG-CD1 3.99Å; C59-L115 WeakPolarHBondContact SG-CD1 3.39Å; T111-L115 HydrophobicContact CG2-CD1 4.19Å; T111-L115 PolarHBondContact O-N 3.14Å; C112-L115 PolarHBondContact O-N 2.86Å; L115-G117 VanDerWaalsContact C-N 3.27Å; L115-G117 PolarHBondContact O-N 3.47Å; L115-V118 PolarHBondContact O-N 3.36Å; L115-M119 HydrophobicContact CD2-CG 4.5Å; L115-M119 HydrophobicContact CD2-SD 4.32Å; L115-M119 VanDerWaalsContact O-CB 3.23Å; L115-M119 WeakPolarHBondContact O-CB 3.25Å; L115-M119 WeakPolarHBondContact O-CG 3.46Å; L115-M119 PolarHBondContact O-N 3.41Å
116	A	68.5	Low	68.9	Low	11 Å²	11	55 Å²	55	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-27.3	174.4	0	0	0	0	0	114.2	L56 C112 L114 I125	L56-A116 HydrophobicContact CD1-CB 4.28Å; C112-A116 WeakPolarHBondContact O-CB 3.39Å; C112-A116 PolarHBondContact O-N 3.34Å; L114-A116 PolarHBondContact O-N 3.46Å; A116-I125 HydrophobicContact CB-CD1 3.65Å; A116-I125 HydrophobicContact CB-CG2 3.76Å
117	G	64.2	Low	67.8	Low	60 Å²	60	56.7 Å²	56.7	62%	0.619	31%	0.309	S	S	*	.	H	α-helix	trans	-81.7	-26.6	176.7	0	0	0	0	0	113.8	R113 L114 L115	R113-G117 PolarHBondContact O-N 3.38Å; L114-G117 PolarHBondContact O-N 3.03Å; L115-G117 VanDerWaalsContact C-N 3.27Å; L115-G117 PolarHBondContact O-N 3.47Å
118	V	64.4	Low	66.7	Low	98 Å²	98	60.4 Å²	60.4	59%	0.594	32%	0.323	S	S	*	.	H	α-helix	trans	-95.1	-41.9	-178.7	-178	0	0	0	0	112.2	L114 L115 H426	L114-V118 PolarHBondContact O-N 2.95Å; L115-V118 PolarHBondContact O-N 3.36Å; V118-H426 WeakPolarHBondContact CG2-CE1 3.22Å
119	M	64.3	Low	65.7	Low	85 Å²	85	61.4 Å²	61.4	42%	0.419	33%	0.328	S	S	.	.	S	Bend	trans	-78	165.2	175.4	-61.3	-170.9	131.2	0	0	110.6	L56 L115 F121	L56-M119 HydrophobicContact CB-SD 4.11Å; L115-M119 HydrophobicContact CD2-CG 4.5Å; L115-M119 HydrophobicContact CD2-SD 4.32Å; L115-M119 VanDerWaalsContact O-CB 3.23Å; L115-M119 WeakPolarHBondContact O-CB 3.25Å; L115-M119 WeakPolarHBondContact O-CG 3.46Å; L115-M119 PolarHBondContact O-N 3.41Å; M119-F121 PolarHBondContact O-N 3.12Å
120	H	57.6	Low	64.9	Low	184 Å²	184	67.5 Å²	67.5	85%	0.852	35%	0.35	S	S	*	.			trans	-47.1	119.2	174.7	-74.4	-65.8	0	0	0	110.8	H122	H120-H122 PolarHBondContact O-N 3.44Å
121	F	55.9	Low	64	Low	118 Å²	118	67.8 Å²	67.8	52%	0.518	35%	0.352	S	S	.	.			trans	-55.9	109.1	178.7	-177.5	-93.8	0	0	0	109.6	M119 I126	M119-F121 PolarHBondContact O-N 3.12Å; F121-I126 HydrophobicContact CE2-CD1 3.76Å; F121-I126 HydrophobicContact CE2-CG1 4.2Å; F121-I126 HydrophobicContact CZ-CD1 3.65Å; F121-I126 HydrophobicContact CZ-CG1 4.2Å
122	H	56.2	Low	63	Low	95 Å²	95	68.3 Å²	68.3	44%	0.44	36%	0.355	S	S	.	.			trans	-92.4	120.9	174.7	-175.3	-67.8	0	0	0	108.6	L56 H120 N124 I125	L56-H122 HydrophobicContact CD2-CB 4.15Å; H120-H122 PolarHBondContact O-N 3.44Å; H122-N124 PolarHBondContact ND1-N 2.98Å; H122-N124 PolarHBondContact O-N 3.27Å; H122-N124 VanDerWaalsContact O-N 3.07Å; H122-I125 HydrophobicContact CB-CD1 3.63Å; H122-I125 HydrophobicContact CB-CG1 3.8Å; H122-I125 WeakPolarHBondContact O-CB 3.19Å; H122-I125 WeakPolarHBondContact O-CD1 3.17Å; H122-I125 VanDerWaalsContact O-CG1 3.24Å; H122-I125 WeakPolarHBondContact O-CG1 3.43Å; H122-I125 PolarHBondContact O-N 3.47Å
123	P	54.6	Low	62.3	Low	86 Å²	86	74.8 Å²	74.8	56%	0.558	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.1	-168.2	19.8	-31.6	0	0	0	113.7	I125 P127	P123-I125 VanDerWaalsContact C-N 3.29Å; P123-I125 PolarHBondContact O-N 2.52Å; P123-P127 WeakPolarHBondContact O-CD 3.11Å
124	N	57.4	Low	61.6	Low	92 Å²	92	73.1 Å²	73.1	49%	0.492	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2	179.5	-60.3	-25.5	0	0	0	114.9	H122 R128	H122-N124 PolarHBondContact ND1-N 2.98Å; H122-N124 PolarHBondContact O-N 3.27Å; H122-N124 VanDerWaalsContact O-N 3.07Å; N124-R128 VanDerWaalsContact O-CG 3.31Å; N124-R128 WeakPolarHBondContact O-CG 3.42Å; N124-R128 PolarHBondContact O-N 3.33Å
125	I	59.4	Low	60.8	Low	2 Å²	2	74.4 Å²	74.4	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-68.3	-50.7	-179.3	-66.7	165.1	0	0	0	111.2	L56 L60 A116 H122 P123 R128 L129	L56-I125 HydrophobicContact CD1-CD1 3.84Å; L56-I125 HydrophobicContact CD1-CG1 4.29Å; L56-I125 HydrophobicContact CD2-CD1 3.39Å; L56-I125 HydrophobicContact CD2-CG1 3.96Å; L56-I125 HydrophobicContact CG-CD1 4.18Å; L60-I125 HydrophobicContact CD1-CG1 4.29Å; L60-I125 HydrophobicContact CD2-CG2 4.27Å; A116-I125 HydrophobicContact CB-CD1 3.65Å; A116-I125 HydrophobicContact CB-CG2 3.76Å; H122-I125 HydrophobicContact CB-CD1 3.63Å; H122-I125 HydrophobicContact CB-CG1 3.8Å; H122-I125 WeakPolarHBondContact O-CB 3.19Å; H122-I125 WeakPolarHBondContact O-CD1 3.17Å; H122-I125 VanDerWaalsContact O-CG1 3.24Å; H122-I125 WeakPolarHBondContact O-CG1 3.43Å; H122-I125 PolarHBondContact O-N 3.47Å; P123-I125 VanDerWaalsContact C-N 3.29Å; P123-I125 PolarHBondContact O-N 2.52Å; I125-R128 PolarHBondContact O-N 3.04Å; I125-R128 VanDerWaalsContact O-N 3.12Å; I125-L129 HydrophobicContact CG2-CD1 3.44Å; I125-L129 VanDerWaalsContact CG2-CD1 3.44Å; I125-L129 HydrophobicContact CG2-CG 3.87Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 2.9Å
126	I	59.3	Low	60.3	Low	74 Å²	74	74.2 Å²	74.2	38%	0.379	39%	0.389	S	S	.	.	H	α-helix	trans	-59.1	-48.5	-174.2	-65	-179.7	0	0	0	110.9	F121 R128 L129 R130	F121-I126 HydrophobicContact CE2-CD1 3.76Å; F121-I126 HydrophobicContact CE2-CG1 4.2Å; F121-I126 HydrophobicContact CZ-CD1 3.65Å; F121-I126 HydrophobicContact CZ-CG1 4.2Å; I126-R128 VanDerWaalsContact C-N 3.32Å; I126-R128 PolarHBondContact O-N 3.03Å; I126-L129 PolarHBondContact O-N 3.28Å; I126-R130 HydrophobicContact CG2-CG 4.29Å; I126-R130 WeakPolarHBondContact O-CB 3.4Å; I126-R130 WeakPolarHBondContact O-CG 3.36Å; I126-R130 PolarHBondContact O-N 3.07Å
127	P	57.6	Low	60	Low	65 Å²	65	76.8 Å²	76.8	42%	0.422	40%	0.401	S	S	.	.	H	α-helix	trans	-58.3	-41.1	175.3	-25.6	35.2	0	0	0	113	P123 R130 G131	P123-P127 WeakPolarHBondContact O-CD 3.11Å; P127-R130 PolarHBondContact O-N 2.99Å; P127-G131 PolarHBondContact O-N 3Å
128	R	61.2	Low	59.6	Low	106 Å²	106	77.4 Å²	77.4	40%	0.4	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-48.3	177.5	-75.7	-179	177	-159.3	-3.6	112	L60 N124 I125 I126 R130 G131 V132	L60-R128 HydrophobicContact CD2-CB 4.44Å; N124-R128 VanDerWaalsContact O-CG 3.31Å; N124-R128 WeakPolarHBondContact O-CG 3.42Å; N124-R128 PolarHBondContact O-N 3.33Å; I125-R128 PolarHBondContact O-N 3.04Å; I125-R128 VanDerWaalsContact O-N 3.12Å; I126-R128 VanDerWaalsContact C-N 3.32Å; I126-R128 PolarHBondContact O-N 3.03Å; R128-R130 VanDerWaalsContact C-N 3.33Å; R128-R130 PolarHBondContact O-N 3.47Å; R128-G131 WeakPolarHBondContact O-CA 3.38Å; R128-G131 PolarHBondContact O-N 2.9Å; R128-G131 VanDerWaalsContact O-N 3.08Å; R128-V132 WeakPolarHBondContact O-CG2 3.47Å; R128-V132 PolarHBondContact O-N 3.22Å
129	L	61.3	Low	59.4	Low	22 Å²	22	72.9 Å²	72.9	12%	0.115	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-36.3	177.2	-67.5	178.7	0	0	0	112.5	L60 C112 R113 I125 I126 V132 R133	L60-L129 HydrophobicContact CD2-CD2 4.06Å; L60-L129 HydrophobicContact CD2-CG 4.28Å; C112-L129 HydrophobicContact CB-CD1 4.3Å; C112-L129 HydrophobicContact CB-CD2 3.57Å; R113-L129 HydrophobicContact CG-CD1 3.71Å; I125-L129 HydrophobicContact CG2-CD1 3.44Å; I125-L129 VanDerWaalsContact CG2-CD1 3.44Å; I125-L129 HydrophobicContact CG2-CG 3.87Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 2.9Å; I126-L129 PolarHBondContact O-N 3.28Å; L129-V132 PolarHBondContact O-N 2.67Å; L129-R133 PolarHBondContact O-N 2.97Å
130	R	61.5	Low	59.2	Low	133 Å²	133	69.5 Å²	69.5	50%	0.502	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-44.2	169.8	-78.3	-178.4	177	-179.4	-0.7	110.7	I126 P127 R128 R133 L134	I126-R130 HydrophobicContact CG2-CG 4.29Å; I126-R130 WeakPolarHBondContact O-CB 3.4Å; I126-R130 WeakPolarHBondContact O-CG 3.36Å; I126-R130 PolarHBondContact O-N 3.07Å; P127-R130 PolarHBondContact O-N 2.99Å; R128-R130 VanDerWaalsContact C-N 3.33Å; R128-R130 PolarHBondContact O-N 3.47Å; R130-R133 PolarHBondContact O-N 2.94Å; R130-L134 WeakPolarHBondContact O-CB 3.39Å; R130-L134 VanDerWaalsContact O-CG 3.24Å; R130-L134 WeakPolarHBondContact O-CG 3.37Å; R130-L134 PolarHBondContact O-N 3.48Å
131	G	60.5	Low	59.2	Low	29 Å²	29	63 Å²	63	30%	0.299	33%	0.326	S	S	.	.	H	α-helix	trans	-55.9	-50.3	174.3	0	0	0	0	0	112.4	P127 R128 R133 L134 C135	P127-G131 PolarHBondContact O-N 3Å; R128-G131 WeakPolarHBondContact O-CA 3.38Å; R128-G131 PolarHBondContact O-N 2.9Å; R128-G131 VanDerWaalsContact O-N 3.08Å; G131-R133 PolarHBondContact O-N 3.25Å; G131-L134 PolarHBondContact O-N 2.83Å; G131-C135 PolarHBondContact O-N 3.37Å; G131-C135 PolarHBondContact O-SG 2.9Å; G131-C135 VanDerWaalsContact O-SG 3.4Å
132	V	59.4	Low	59.2	Low	21 Å²	21	61.2 Å²	61.2	13%	0.127	32%	0.32	C	S	.	.	H	α-helix	trans	-55.7	-48.2	175.3	173.7	0	0	0	0	111.2	A64 A67 R128 L129 L134 C135 V136	A64-V132 HydrophobicContact CB-CG2 4.07Å; A67-V132 HydrophobicContact CB-CG1 3.64Å; R128-V132 WeakPolarHBondContact O-CG2 3.47Å; R128-V132 PolarHBondContact O-N 3.22Å; L129-V132 PolarHBondContact O-N 2.67Å; V132-L134 PolarHBondContact O-N 3.34Å; V132-C135 PolarHBondContact O-N 3Å; V132-V136 WeakPolarHBondContact O-CG2 3.3Å; V132-V136 PolarHBondContact O-N 3.26Å
133	R	63.2	Low	59.3	Low	135 Å²	135	56.8 Å²	56.8	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-65.9	-37.2	178.8	-173.3	157.8	-178.2	169.1	-2.3	112.8	L129 R130 G131 V136 N137	L129-R133 PolarHBondContact O-N 2.97Å; R130-R133 PolarHBondContact O-N 2.94Å; G131-R133 PolarHBondContact O-N 3.25Å; R133-V136 PolarHBondContact O-N 2.77Å; R133-N137 WeakPolarHBondContact O-CB 3.41Å; R133-N137 VanDerWaalsContact O-CG 3.28Å; R133-N137 PolarHBondContact O-N 3.07Å
134	L	59.9	Low	59.2	Low	88 Å²	88	53.1 Å²	53.1	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-66	-41.9	175.1	-74	170	0	0	0	111.7	R130 G131 V132 N137 S138	R130-L134 WeakPolarHBondContact O-CB 3.39Å; R130-L134 VanDerWaalsContact O-CG 3.24Å; R130-L134 WeakPolarHBondContact O-CG 3.37Å; R130-L134 PolarHBondContact O-N 3.48Å; G131-L134 PolarHBondContact O-N 2.83Å; V132-L134 PolarHBondContact O-N 3.34Å; L134-N137 PolarHBondContact O-N 2.94Å; L134-S138 WeakPolarHBondContact O-CB 3.39Å; L134-S138 PolarHBondContact O-N 3.37Å
135	C	57.8	Low	59	Low	45 Å²	45	53.3 Å²	53.3	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-58.8	-49.3	173.7	-73.7	0	0	0	0	111.1	G131 V132 N137 S138 A139	G131-C135 PolarHBondContact O-N 3.37Å; G131-C135 PolarHBondContact O-SG 2.9Å; G131-C135 VanDerWaalsContact O-SG 3.4Å; V132-C135 PolarHBondContact O-N 3Å; C135-N137 PolarHBondContact O-N 3.14Å; C135-S138 PolarHBondContact O-N 2.88Å; C135-A139 WeakPolarHBondContact O-CB 3.36Å; C135-A139 PolarHBondContact O-N 3.4Å
136	V	61.5	Low	58.6	Low	10 Å²	10	58.1 Å²	58.1	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-50.5	175.8	164.5	0	0	0	0	111.8	A67 F70 L102 V105 V132 R133 S138 A139 K140	A67-V136 HydrophobicContact CB-CG2 4.03Å; F70-V136 HydrophobicContact CD1-CG2 4.35Å; F70-V136 HydrophobicContact CE1-CG1 4.25Å; L102-V136 HydrophobicContact CD1-CB 4.48Å; L102-V136 HydrophobicContact CD1-CG1 3.34Å; L102-V136 HydrophobicContact CD1-CG2 4.33Å; V105-V136 HydrophobicContact CG1-CG2 3.74Å; V132-V136 WeakPolarHBondContact O-CG2 3.3Å; V132-V136 PolarHBondContact O-N 3.26Å; R133-V136 PolarHBondContact O-N 2.77Å; V136-S138 PolarHBondContact O-N 2.93Å; V136-A139 WeakPolarHBondContact O-CB 3.4Å; V136-A139 PolarHBondContact O-N 3.33Å; V136-K140 PolarHBondContact O-N 3Å
137	N	63.3	Low	58.3	Low	65 Å²	65	57.2 Å²	57.2	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-65.7	-39.5	-179.7	-74.6	-3	0	0	0	112	R133 L134 C135 A139 K140 C141	R133-N137 WeakPolarHBondContact O-CB 3.41Å; R133-N137 VanDerWaalsContact O-CG 3.28Å; R133-N137 PolarHBondContact O-N 3.07Å; L134-N137 PolarHBondContact O-N 2.94Å; C135-N137 PolarHBondContact O-N 3.14Å; N137-A139 VanDerWaalsContact C-N 3.34Å; N137-K140 WeakPolarHBondContact O-CB 3.47Å; N137-K140 PolarHBondContact O-N 3.18Å; N137-C141 PolarHBondContact O-N 3.1Å; N137-C141 PolarHBondContact O-SG 3.22Å; N137-C141 VanDerWaalsContact O-SG 3.36Å
138	S	56.2	Low	57.9	Low	73 Å²	73	55.6 Å²	55.6	51%	0.51	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-43.6	175.4	-178	0	0	0	0	111.2	L134 C135 V136 C141 H142	L134-S138 WeakPolarHBondContact O-CB 3.39Å; L134-S138 PolarHBondContact O-N 3.37Å; C135-S138 PolarHBondContact O-N 2.88Å; V136-S138 PolarHBondContact O-N 2.93Å; S138-C141 PolarHBondContact O-N 3.01Å; S138-H142 WeakPolarHBondContact O-CB 3.01Å; S138-H142 PolarHBondContact O-N 3.1Å
139	A	58.5	Low	57	Low	3 Å²	3	54.4 Å²	54.4	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-47.9	175.4	0	0	0	0	0	111.1	F70 E71 I74 C135 V136 N137 C141 H142 F143	F70-A139 HydrophobicContact CD1-CB 4.42Å; F70-A139 HydrophobicContact CE1-CB 4.31Å; E71-A139 HydrophobicContact CB-CB 4.23Å; E71-A139 HydrophobicContact CG-CB 4.05Å; I74-A139 HydrophobicContact CB-CB 4.26Å; I74-A139 HydrophobicContact CD1-CB 3.67Å; I74-A139 HydrophobicContact CG2-CB 3.95Å; I74-A139 WeakPolarHBondContact CG2-O 3.32Å; C135-A139 WeakPolarHBondContact O-CB 3.36Å; C135-A139 PolarHBondContact O-N 3.4Å; V136-A139 WeakPolarHBondContact O-CB 3.4Å; V136-A139 PolarHBondContact O-N 3.33Å; N137-A139 VanDerWaalsContact C-N 3.34Å; A139-C141 PolarHBondContact O-N 3.5Å; A139-H142 PolarHBondContact O-N 2.91Å; A139-F143 PolarHBondContact O-N 3.33Å
140	K	61	Low	55.9	Low	13 Å²	13	58.5 Å²	58.5	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-54.3	-53	173.2	-70.2	-174.1	176.4	-158.7	0	111.7	E99 V136 N137 H142 F143 L144 Y179 E469	E99-K140 IonicContact OE1-NZ 3.46Å; V136-K140 PolarHBondContact O-N 3Å; N137-K140 WeakPolarHBondContact O-CB 3.47Å; N137-K140 PolarHBondContact O-N 3.18Å; K140-H142 VanDerWaalsContact C-N 3.3Å; K140-H142 PolarHBondContact O-N 3.09Å; K140-F143 WeakPolarHBondContact O-CB 3.3Å; K140-F143 PolarHBondContact O-N 2.64Å; K140-L144 HydrophobicContact CB-CD1 4.39Å; K140-L144 WeakPolarHBondContact O-CD1 3.34Å; K140-L144 WeakPolarHBondContact O-CG 3.45Å; K140-L144 PolarHBondContact O-N 3.03Å; K140-L144 VanDerWaalsContact O-N 3.12Å; K140-Y179 PolarHBondContact NZ-OH 3.43Å; K140-E469 IonicContact NZ-OE1 2.62Å; K140-E469 PolarHBondContact NZ-OE1 3.38Å
141	C	57.9	Low	54.9	Low	47 Å²	47	62.7 Å²	62.7	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-39	180	-73	0	0	0	0	112.5	N137 S138 A139 K145	N137-C141 PolarHBondContact O-N 3.1Å; N137-C141 PolarHBondContact O-SG 3.22Å; N137-C141 VanDerWaalsContact O-SG 3.36Å; S138-C141 PolarHBondContact O-N 3.01Å; A139-C141 PolarHBondContact O-N 3.5Å; C141-K145 VanDerWaalsContact O-CB 3.28Å; C141-K145 WeakPolarHBondContact O-CB 3.38Å; C141-K145 PolarHBondContact O-N 3.24Å
142	H	56.6	Low	53.7	Low	82 Å²	82	65.2 Å²	65.2	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-44.6	178	-169.2	94.7	0	0	0	112.2	S138 A139 K140 L144 K145 K146	S138-H142 WeakPolarHBondContact O-CB 3.01Å; S138-H142 PolarHBondContact O-N 3.1Å; A139-H142 PolarHBondContact O-N 2.91Å; K140-H142 VanDerWaalsContact C-N 3.3Å; K140-H142 PolarHBondContact O-N 3.09Å; H142-L144 VanDerWaalsContact C-N 3.31Å; H142-L144 PolarHBondContact O-N 2.87Å; H142-K145 PolarHBondContact O-N 3.28Å; H142-K146 VanDerWaalsContact NE2-CE 3.3Å; H142-K146 WeakPolarHBondContact NE2-CE 3.24Å; H142-K146 PolarHBondContact O-N 2.97Å; H142-K146 VanDerWaalsContact O-N 3.14Å
143	F	56.6	Low	52.6	Low	2 Å²	2	67.2 Å²	67.2	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-53.9	-50.1	175.1	169.1	-119.7	0	0	0	111.9	I74 C78 L81 V94 V98 A139 K140 K146 K147	I74-F143 HydrophobicContact CG2-CB 4.07Å; C78-F143 HydrophobicContact CB-CD2 4.41Å; C78-F143 WeakPolarHBondContact SG-CA 3.46Å; C78-F143 VanDerWaalsContact SG-CD2 3.56Å; L81-F143 HydrophobicContact CD1-CE2 3.39Å; L81-F143 HydrophobicContact CD1-CZ 3.69Å; V94-F143 HydrophobicContact CG1-CE1 4.3Å; V94-F143 HydrophobicContact CG1-CZ 3.91Å; V94-F143 VanDerWaalsContact O-CE1 3.29Å; V94-F143 WeakPolarHBondContact O-CE1 3.41Å; V94-F143 VanDerWaalsContact O-CZ 3.25Å; V94-F143 WeakPolarHBondContact O-CZ 3.39Å; V98-F143 HydrophobicContact CG2-CD1 3.94Å; V98-F143 HydrophobicContact CG2-CE1 3.61Å; V98-F143 HydrophobicContact CG2-CZ 4.07Å; A139-F143 PolarHBondContact O-N 3.33Å; K140-F143 WeakPolarHBondContact O-CB 3.3Å; K140-F143 PolarHBondContact O-N 2.64Å; F143-K146 PolarHBondContact O-N 3.23Å; F143-K147 PolarHBondContact O-N 2.99Å
144	L	52.8	Low	51.5	Low	8 Å²	8	62.9 Å²	62.9	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-75.6	-36	-172	-65	147.1	0	0	0	110.4	K140 H142 K146 K147 F148 F183	K140-L144 HydrophobicContact CB-CD1 4.39Å; K140-L144 WeakPolarHBondContact O-CD1 3.34Å; K140-L144 WeakPolarHBondContact O-CG 3.45Å; K140-L144 PolarHBondContact O-N 3.03Å; K140-L144 VanDerWaalsContact O-N 3.12Å; H142-L144 VanDerWaalsContact C-N 3.31Å; H142-L144 PolarHBondContact O-N 2.87Å; L144-K146 PolarHBondContact O-N 3.37Å; L144-K147 PolarHBondContact O-N 3.14Å; L144-F148 HydrophobicContact CB-CD2 4.27Å; L144-F148 HydrophobicContact CD2-CD2 4.13Å; L144-F148 HydrophobicContact CD2-CE2 3.62Å; L144-F148 WeakPolarHBondContact O-CD2 3.4Å; L144-F148 PolarHBondContact O-N 2.76Å; L144-F183 HydrophobicContact CB-CE1 3.74Å; L144-F183 HydrophobicContact CB-CE2 3.84Å; L144-F183 HydrophobicContact CB-CZ 3.41Å; L144-F183 VanDerWaalsContact CB-CZ 3.41Å; L144-F183 HydrophobicContact CD1-CE1 3.55Å; L144-F183 HydrophobicContact CD1-CE2 4.19Å; L144-F183 HydrophobicContact CD1-CZ 3.13Å; L144-F183 HydrophobicContact CD2-CE2 4.12Å; L144-F183 HydrophobicContact CD2-CZ 3.84Å; L144-F183 HydrophobicContact CG-CE1 4.12Å; L144-F183 HydrophobicContact CG-CE2 4.18Å; L144-F183 HydrophobicContact CG-CZ 3.53Å
145	K	53.6	Low	51	Low	97 Å²	97	59 Å²	59	42%	0.422	31%	0.31	S	S	.	.	H	α-helix	trans	-55.9	-51.3	171	-175.4	-177.4	172.2	-167.6	0	112.4	C141 H142 K147 S149 L188	C141-K145 VanDerWaalsContact O-CB 3.28Å; C141-K145 WeakPolarHBondContact O-CB 3.38Å; C141-K145 PolarHBondContact O-N 3.24Å; H142-K145 PolarHBondContact O-N 3.28Å; K145-K147 PolarHBondContact O-N 2.8Å; K145-S149 WeakPolarHBondContact O-CB 3.29Å; K145-S149 PolarHBondContact O-N 2.67Å; K145-S149 VanDerWaalsContact O-N 3.16Å; K145-L188 HydrophobicContact CB-CD2 3.59Å; K145-L188 HydrophobicContact CD-CD2 4.22Å; K145-L188 HydrophobicContact CG-CD2 3.59Å
146	K	51.9	Low	50.5	Low	103 Å²	103	62.2 Å²	62.2	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-28.8	-176.5	-89.6	-172.7	172.3	179.2	0	112.7	C78 H142 F143 L144	C78-K146 HydrophobicContact CB-CD 4.1Å; H142-K146 VanDerWaalsContact NE2-CE 3.3Å; H142-K146 WeakPolarHBondContact NE2-CE 3.24Å; H142-K146 PolarHBondContact O-N 2.97Å; H142-K146 VanDerWaalsContact O-N 3.14Å; F143-K146 PolarHBondContact O-N 3.23Å; L144-K146 PolarHBondContact O-N 3.37Å
147	K	51.6	Low	49.9	Very low	55 Å²	55	63.2 Å²	63.2	24%	0.239	33%	0.33	C	S	.	.	H	α-helix	trans	-95.7	-43.9	-175.1	-91.4	-78.1	165.6	175.6	0	114.6	L81 F143 L144 K145 S149	L81-K147 VanDerWaalsContact C-NZ 3.3Å; L81-K147 WeakPolarHBondContact O-CE 3.47Å; L81-K147 PolarHBondContact O-NZ 3.08Å; F143-K147 PolarHBondContact O-N 2.99Å; L144-K147 PolarHBondContact O-N 3.14Å; K145-K147 PolarHBondContact O-N 2.8Å; K147-S149 VanDerWaalsContact C-N 3.26Å; K147-S149 PolarHBondContact O-N 3.16Å
148	F	49.5	Very low	49.4	Very low	30 Å²	30	60.7 Å²	60.7	13%	0.132	32%	0.319	C	S	.	.	H	α-helix	trans	-81.7	-4	178.1	-68.6	-79.2	0	0	0	113.3	L144 Y150 L162 L176	L144-F148 HydrophobicContact CB-CD2 4.27Å; L144-F148 HydrophobicContact CD2-CD2 4.13Å; L144-F148 HydrophobicContact CD2-CE2 3.62Å; L144-F148 WeakPolarHBondContact O-CD2 3.4Å; L144-F148 PolarHBondContact O-N 2.76Å; F148-Y150 PolarHBondContact O-N 2.92Å; F148-L162 HydrophobicContact CE1-CD1 4.29Å; F148-L162 HydrophobicContact CZ-CD1 4.05Å; F148-L176 HydrophobicContact CZ-CD1 4.42Å
149	S	43.3	Very low	49.2	Very low	81 Å²	81	61.6 Å²	61.6	57%	0.566	31%	0.312	S	S	*	.			trans	-71.1	68.4	167.7	-168.1	0	0	0	0	110.7	K145 K147	K145-S149 WeakPolarHBondContact O-CB 3.29Å; K145-S149 PolarHBondContact O-N 2.67Å; K145-S149 VanDerWaalsContact O-N 3.16Å; K147-S149 VanDerWaalsContact C-N 3.26Å; K147-S149 PolarHBondContact O-N 3.16Å
150	Y	36.8	Very low	48.9	Very low	109 Å²	109	69.1 Å²	69.1	43%	0.427	34%	0.339	S	S	.	.			trans	-58.2	154.1	151.4	-121.5	-103.1	0	0	0	108.3	F148 T152	F148-Y150 PolarHBondContact O-N 2.92Å; Y150-T152 CarbonylContact C-O 3.58Å; Y150-T152 WeakPolarHBondContact CB-O 3.2Å; Y150-T152 VanDerWaalsContact CD1-OG1 3.26Å; Y150-T152 WeakPolarHBondContact CD1-OG1 3.27Å; Y150-T152 CarbonylContact O-C 3.56Å; Y150-T152 PolarHBondContact O-N 3.17Å
151	K	41.3	Very low	48.6	Very low	220 Å²	220	72 Å²	72	96%	0.957	35%	0.353	S	S	*	.	S	Bend	trans	-56.2	-16.7	165.6	-81.7	-178.2	173	179.4	0	112.5
152	T	35.4	Very low	48.5	Very low	82 Å²	82	70.5 Å²	70.5	50%	0.503	34%	0.341	S	S	.	.	S	Bend	trans	-102.2	110	162.2	48.8	0	0	0	0	107.6	Y150 C154	Y150-T152 CarbonylContact C-O 3.58Å; Y150-T152 WeakPolarHBondContact CB-O 3.2Å; Y150-T152 VanDerWaalsContact CD1-OG1 3.26Å; Y150-T152 WeakPolarHBondContact CD1-OG1 3.27Å; Y150-T152 CarbonylContact O-C 3.56Å; Y150-T152 PolarHBondContact O-N 3.17Å; T152-C154 PolarHBondContact O-N 2.94Å
153	C	35.8	Very low	48.4	Very low	64 Å²	64	69 Å²	69	43%	0.432	34%	0.344	S	S	.	.			trans	-64.7	61.9	-179.9	-59.1	0	0	0	0	112.9	P155	C153-P155 WeakPolarHBondContact O-CD 3.27Å
154	C	41.3	Very low	48.1	Very low	43 Å²	43	76.4 Å²	76.4	29%	0.291	38%	0.378	S	S	.	.			trans	-124.7	93.2	-169.4	-166.9	0	0	0	0	110	T152 E156 A157	T152-C154 PolarHBondContact O-N 2.94Å; C154-E156 PolarHBondContact O-N 3.33Å; C154-E156 VanDerWaalsContact O-N 3.14Å; C154-A157 HydrophobicContact CB-CB 4.43Å; C154-A157 WeakPolarHBondContact O-CB 3.37Å; C154-A157 PolarHBondContact O-N 3.49Å
155	P	47.8	Very low	48.2	Very low	7 Å²	7	80.1 Å²	80.1	5%	0.045	39%	0.394	C	S	.	.	H	α-helix	trans	-50.1	-29.8	169.5	-27.7	35.5	0	0	0	113.6	C153 A157 G158 R159 I180 E189	C153-P155 WeakPolarHBondContact O-CD 3.27Å; P155-A157 VanDerWaalsContact C-N 3.28Å; P155-A157 PolarHBondContact O-N 2.95Å; P155-G158 PolarHBondContact O-N 3.44Å; P155-R159 PolarHBondContact O-N 3.49Å; P155-I180 HydrophobicContact CB-CB 4.47Å; P155-I180 HydrophobicContact CB-CG1 4.11Å; P155-I180 HydrophobicContact CB-CG2 3.72Å; P155-E189 WeakPolarHBondContact CD-OE1 3.45Å; P155-E189 HydrophobicContact CG-CG 3.93Å; P155-E189 VanDerWaalsContact CG-OE1 3.29Å; P155-E189 WeakPolarHBondContact CG-OE1 3.34Å
156	E	48.3	Very low	48.2	Very low	113 Å²	113	78.2 Å²	78.2	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-33.2	175.2	-63	-176.2	151.6	0	0	113	C154 R159 R160	C154-E156 PolarHBondContact O-N 3.33Å; C154-E156 VanDerWaalsContact O-N 3.14Å; E156-R159 WeakPolarHBondContact O-CB 3.14Å; E156-R159 PolarHBondContact O-N 3.05Å; E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.23Å
157	A	48.4	Very low	49	Very low	30 Å²	30	79.1 Å²	79.1	25%	0.248	41%	0.41	C	S	.	.	H	α-helix	trans	-65.5	-41.9	176.5	0	0	0	0	0	111.3	C154 P155 R159 R160 Q161	C154-A157 HydrophobicContact CB-CB 4.43Å; C154-A157 WeakPolarHBondContact O-CB 3.37Å; C154-A157 PolarHBondContact O-N 3.49Å; P155-A157 VanDerWaalsContact C-N 3.28Å; P155-A157 PolarHBondContact O-N 2.95Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-R160 PolarHBondContact O-N 3.08Å; A157-Q161 PolarHBondContact O-N 3.37Å
158	G	52.4	Low	50.2	Low	12 Å²	12	77.2 Å²	77.2	12%	0.124	40%	0.402	C	S	.	.	H	α-helix	trans	-67.2	-34.4	173.8	0	0	0	0	0	112.4	P155 Q161 L162	P155-G158 PolarHBondContact O-N 3.44Å; G158-Q161 PolarHBondContact O-N 3.24Å; G158-L162 WeakPolarHBondContact O-CB 3.43Å; G158-L162 PolarHBondContact O-N 2.79Å
159	R	51.6	Low	51.8	Low	93 Å²	93	79.4 Å²	79.4	35%	0.351	42%	0.415	S	S	.	.	H	α-helix	trans	-61.9	-46.6	172.3	-140.6	-171.3	-136.4	-119	20.6	111.9	P155 E156 A157 A163 L176 S177 I180	P155-R159 PolarHBondContact O-N 3.49Å; E156-R159 WeakPolarHBondContact O-CB 3.14Å; E156-R159 PolarHBondContact O-N 3.05Å; A157-R159 VanDerWaalsContact C-N 3.32Å; R159-A163 WeakPolarHBondContact O-CB 3.42Å; R159-A163 PolarHBondContact O-N 2.94Å; R159-L176 HydrophobicContact CG-CD2 3.91Å; R159-L176 HydrophobicContact CG-CG 4.36Å; R159-S177 PolarHBondContact NH1-OG 3.48Å; R159-S177 VanDerWaalsContact NH1-OG 3.08Å; R159-S177 PolarHBondContact NH2-OG 3.4Å; R159-I180 HydrophobicContact CB-CD1 3.98Å; R159-I180 HydrophobicContact CG-CD1 3.55Å
160	R	54	Low	53.5	Low	161 Å²	161	81 Å²	81	61%	0.608	41%	0.414	S	S	*	.	H	α-helix	trans	-59.6	-46.1	175.6	-73.4	-180	-171.8	162.8	5.9	110.8	E156 A157 L162 A163 E164	E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.23Å; A157-R160 PolarHBondContact O-N 3.08Å; R160-L162 PolarHBondContact O-N 2.97Å; R160-A163 PolarHBondContact O-N 3.33Å; R160-E164 VanDerWaalsContact O-CB 3.28Å; R160-E164 WeakPolarHBondContact O-CB 3.35Å; R160-E164 WeakPolarHBondContact O-CG 3.42Å; R160-E164 PolarHBondContact O-N 2.86Å
161	Q	53.4	Low	55.7	Low	73 Å²	73	76.6 Å²	76.6	34%	0.341	40%	0.399	S	S	.	.	H	α-helix	trans	-67.5	-39.7	-178.2	-162.1	176.1	12.3	0	0	113.7	A157 G158	A157-Q161 PolarHBondContact O-N 3.37Å; G158-Q161 PolarHBondContact O-N 3.24Å
162	L	55.7	Low	57.7	Low	15 Å²	15	67.6 Å²	67.6	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-70.6	-38.1	174.7	-84.7	151	0	0	0	111.9	F91 F148 G158 R160 L176	F91-L162 HydrophobicContact CB-CD2 4.38Å; F148-L162 HydrophobicContact CE1-CD1 4.29Å; F148-L162 HydrophobicContact CZ-CD1 4.05Å; G158-L162 WeakPolarHBondContact O-CB 3.43Å; G158-L162 PolarHBondContact O-N 2.79Å; R160-L162 PolarHBondContact O-N 2.97Å; L162-L176 HydrophobicContact CB-CD2 4.32Å; L162-L176 HydrophobicContact CD1-CD1 4.32Å; L162-L176 HydrophobicContact CD1-CD2 4.38Å
163	A	54.1	Low	59.9	Low	52 Å²	52	67.8 Å²	67.8	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-74.4	-29.7	-179.6	0	0	0	0	0	113.9	R159 R160 M168	R159-A163 WeakPolarHBondContact O-CB 3.42Å; R159-A163 PolarHBondContact O-N 2.94Å; R160-A163 PolarHBondContact O-N 3.33Å; A163-M168 VanDerWaalsContact CA-CE 3.5Å; A163-M168 HydrophobicContact CB-CE 3.59Å
164	E	52	Low	62.1	Low	156 Å²	156	65.4 Å²	65.4	73%	0.729	34%	0.339	S	S	*	.	H	α-helix	trans	-73.7	-22.7	-177.5	-80.5	168.9	-168.3	0	0	113.5	R160	R160-E164 VanDerWaalsContact O-CB 3.28Å; R160-E164 WeakPolarHBondContact O-CB 3.35Å; R160-E164 WeakPolarHBondContact O-CG 3.42Å; R160-E164 PolarHBondContact O-N 2.86Å
165	K	53.2	Low	64	Low	86 Å²	86	63.3 Å²	63.3	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-96.2	-34.4	-171.3	-81.8	-171.4	174.5	179.1	0	115.9	K86 L87	K86-K165 PolarHBondContact O-NZ 2.99Å; L87-K165 PolarHBondContact O-NZ 3.35Å
166	T	55.4	Low	65.4	Low	57 Å²	57	63.2 Å²	63.2	35%	0.35	32%	0.324	S	S	.	.	S	Bend	trans	-132.2	139	179.3	38.3	0	0	0	0	108.9	M168	T166-M168 PolarHBondContact O-N 2.89Å
167	S	68.4	Low	66.7	Low	123 Å²	123	59.4 Å²	59.4	86%	0.86	31%	0.31	S	S	*	.			trans	-65.9	85.2	172.4	63.6	0	0	0	0	108.5	N169	S167-N169 PolarHBondContact O-N 3.36Å
168	M	76.6	Confident	68.1	Low	14 Å²	14	59.7 Å²	59.7	7%	0.069	31%	0.306	C	S	.	.			trans	-58.8	134.1	174.4	-72	-171.9	-66.7	0	0	108.4	F91 A163 T166 Q172 K173 L176	F91-M168 HydrophobicContact CB-CG 4.44Å; F91-M168 HydrophobicContact CB-SD 4.32Å; F91-M168 HydrophobicContact CD2-SD 3.88Å; F91-M168 HydrophobicContact CG-SD 4.42Å; A163-M168 VanDerWaalsContact CA-CE 3.5Å; A163-M168 HydrophobicContact CB-CE 3.59Å; T166-M168 PolarHBondContact O-N 2.89Å; M168-Q172 VanDerWaalsContact CA-OE1 3.3Å; M168-Q172 HydrophobicContact CB-CB 4.05Å; M168-Q172 HydrophobicContact CG-CB 4.32Å; M168-K173 HydrophobicContact CB-CG 3.84Å; M168-K173 HydrophobicContact CE-CG 4.21Å; M168-K173 WeakPolarHBondContact O-CE 3.09Å; M168-L176 HydrophobicContact CE-CD2 4.03Å; M168-L176 HydrophobicContact SD-CD2 4.12Å
169	N	82.9	Confident	69.1	Low	77 Å²	77	59.4 Å²	59.4	41%	0.412	30%	0.301	S	S	.	.			trans	-73.3	173	169.9	68.1	32.2	0	0	0	110.2	S167 S171 Q172 K173	S167-N169 PolarHBondContact O-N 3.36Å; N169-S171 VanDerWaalsContact C-N 3.33Å; N169-S171 PolarHBondContact O-N 3.11Å; N169-S171 PolarHBondContact OD1-N 3.39Å; N169-S171 PolarHBondContact OD1-OG 3.32Å; N169-Q172 PolarHBondContact O-N 3.1Å; N169-Q172 WeakPolarHBondContact OD1-CB 3.22Å; N169-Q172 WeakPolarHBondContact OD1-CG 3.26Å; N169-Q172 PolarHBondContact OD1-N 2.82Å; N169-K173 WeakPolarHBondContact O-CG 3.33Å; N169-K173 PolarHBondContact O-N 2.93Å
170	E	79.1	Confident	70	Confident	113 Å²	113	55.9 Å²	55.9	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-64.2	-34.7	-176.1	-65.8	-55.2	120.1	0	0	113.3	K173 A174	E170-K173 PolarHBondContact O-N 3.15Å; E170-K173 IonicContact OE1-NZ 2.86Å; E170-K173 PolarHBondContact OE1-NZ 3.32Å; E170-A174 VanDerWaalsContact O-CB 3.32Å; E170-A174 WeakPolarHBondContact O-CB 3.33Å; E170-A174 PolarHBondContact O-N 2.9Å
171	S	82.6	Confident	70.9	Confident	17 Å²	17	52 Å²	52	12%	0.119	28%	0.279	C	S	.	.	H	α-helix	trans	-70.5	-38	178.2	60.2	0	0	0	0	112.3	N169 A174 L175 L470	N169-S171 VanDerWaalsContact C-N 3.33Å; N169-S171 PolarHBondContact O-N 3.11Å; N169-S171 PolarHBondContact OD1-N 3.39Å; N169-S171 PolarHBondContact OD1-OG 3.32Å; S171-A174 PolarHBondContact O-N 3.22Å; S171-L175 PolarHBondContact O-N 3.39Å; S171-L470 WeakPolarHBondContact O-CD1 3.45Å
172	Q	83.9	Confident	71.7	Confident	32 Å²	32	52 Å²	52	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-44.6	174	-69.4	173	-33.7	0	0	111.3	F91 M168 N169 A174 L175 L176 F467	F91-Q172 HydrophobicContact CD1-CB 4.24Å; F91-Q172 HydrophobicContact CD1-CG 3.77Å; F91-Q172 HydrophobicContact CD2-CB 4.09Å; F91-Q172 HydrophobicContact CE1-CB 4.01Å; F91-Q172 HydrophobicContact CE1-CG 3.51Å; F91-Q172 HydrophobicContact CE2-CB 3.82Å; F91-Q172 HydrophobicContact CE2-CG 4.27Å; F91-Q172 WeakPolarHBondContact CE2-O 3.38Å; F91-Q172 HydrophobicContact CG-CB 4.28Å; F91-Q172 HydrophobicContact CG-CG 4.28Å; F91-Q172 HydrophobicContact CZ-CB 3.77Å; F91-Q172 HydrophobicContact CZ-CG 3.75Å; M168-Q172 VanDerWaalsContact CA-OE1 3.3Å; M168-Q172 HydrophobicContact CB-CB 4.05Å; M168-Q172 HydrophobicContact CG-CB 4.32Å; N169-Q172 PolarHBondContact O-N 3.1Å; N169-Q172 WeakPolarHBondContact OD1-CB 3.22Å; N169-Q172 WeakPolarHBondContact OD1-CG 3.26Å; N169-Q172 PolarHBondContact OD1-N 2.82Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 2.61Å; Q172-L175 PolarHBondContact O-N 3.43Å; Q172-L176 WeakPolarHBondContact O-CB 3.32Å; Q172-L176 PolarHBondContact O-N 3.46Å; Q172-F467 HydrophobicContact CG-CE2 4Å; Q172-F467 HydrophobicContact CG-CZ 4.01Å
173	K	80.5	Confident	72.3	Confident	85 Å²	85	51.7 Å²	51.7	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-42	174.6	-69.7	174.8	-169.9	161.5	0	111.9	M168 N169 E170 S177	M168-K173 HydrophobicContact CB-CG 3.84Å; M168-K173 HydrophobicContact CE-CG 4.21Å; M168-K173 WeakPolarHBondContact O-CE 3.09Å; N169-K173 WeakPolarHBondContact O-CG 3.33Å; N169-K173 PolarHBondContact O-N 2.93Å; E170-K173 PolarHBondContact O-N 3.15Å; E170-K173 IonicContact OE1-NZ 2.86Å; E170-K173 PolarHBondContact OE1-NZ 3.32Å; K173-S177 VanDerWaalsContact O-CB 3.29Å; K173-S177 WeakPolarHBondContact O-CB 3.02Å; K173-S177 PolarHBondContact O-N 3.32Å; K173-S177 PolarHBondContact O-OG 3.48Å
174	A	82.3	Confident	72.9	Confident	14 Å²	14	53.3 Å²	53.3	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-46	178.5	0	0	0	0	0	111.5	E170 S171 Q172 L176 S177 K178 L470	E170-A174 VanDerWaalsContact O-CB 3.32Å; E170-A174 WeakPolarHBondContact O-CB 3.33Å; E170-A174 PolarHBondContact O-N 2.9Å; S171-A174 PolarHBondContact O-N 3.22Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 2.61Å; A174-L176 PolarHBondContact O-N 3.5Å; A174-S177 WeakPolarHBondContact O-CB 3.44Å; A174-S177 PolarHBondContact O-N 2.8Å; A174-K178 PolarHBondContact O-N 3Å; A174-L470 HydrophobicContact CB-CD1 3.89Å; A174-L470 HydrophobicContact CB-CD2 4.48Å
175	L	81.5	Confident	73.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-48.3	178.3	-176.3	61.1	0	0	0	111.4	F91 V95 E99 S171 Q172 S177 K178 Y179 F467 E469 L470	F91-L175 HydrophobicContact CZ-CD2 4.04Å; V95-L175 HydrophobicContact CG1-CD2 3.77Å; V95-L175 HydrophobicContact CG1-CG 4.34Å; E99-L175 HydrophobicContact CG-CD2 3.9Å; S171-L175 PolarHBondContact O-N 3.39Å; Q172-L175 PolarHBondContact O-N 3.43Å; L175-S177 PolarHBondContact O-N 2.93Å; L175-K178 WeakPolarHBondContact O-CB 3.4Å; L175-K178 PolarHBondContact O-N 2.83Å; L175-Y179 HydrophobicContact CD1-CE1 4.15Å; L175-Y179 HydrophobicContact CD1-CE2 4.16Å; L175-Y179 HydrophobicContact CD2-CE2 4.44Å; L175-Y179 HydrophobicContact CG-CD2 4.39Å; L175-Y179 HydrophobicContact CG-CE2 4.16Å; L175-Y179 PolarHBondContact O-N 2.98Å; L175-F467 HydrophobicContact CB-CD2 4.36Å; L175-F467 HydrophobicContact CD2-CB 4.13Å; L175-F467 HydrophobicContact CD2-CD1 3.95Å; L175-F467 HydrophobicContact CD2-CD2 4.08Å; L175-F467 HydrophobicContact CD2-CE1 4.4Å; L175-F467 HydrophobicContact CD2-CG 3.79Å; L175-E469 HydrophobicContact CD1-CB 3.58Å; L175-E469 HydrophobicContact CD1-CG 4.19Å; L175-L470 HydrophobicContact CB-CD1 3.99Å; L175-L470 HydrophobicContact CD1-CG 4.4Å
176	L	76.3	Confident	74.3	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-38.5	177.3	-177.5	61.4	0	0	0	111.3	F91 F148 R159 L162 M168 Q172 A174 Y179 I180	F91-L176 HydrophobicContact CE2-CB 4.41Å; F148-L176 HydrophobicContact CZ-CD1 4.42Å; R159-L176 HydrophobicContact CG-CD2 3.91Å; R159-L176 HydrophobicContact CG-CG 4.36Å; L162-L176 HydrophobicContact CB-CD2 4.32Å; L162-L176 HydrophobicContact CD1-CD1 4.32Å; L162-L176 HydrophobicContact CD1-CD2 4.38Å; M168-L176 HydrophobicContact CE-CD2 4.03Å; M168-L176 HydrophobicContact SD-CD2 4.12Å; Q172-L176 WeakPolarHBondContact O-CB 3.32Å; Q172-L176 PolarHBondContact O-N 3.46Å; A174-L176 PolarHBondContact O-N 3.5Å; L176-Y179 PolarHBondContact O-N 3.33Å; L176-I180 HydrophobicContact CD1-CD1 4.19Å; L176-I180 HydrophobicContact CG-CD1 4.02Å; L176-I180 WeakPolarHBondContact O-CG1 3.29Å; L176-I180 PolarHBondContact O-N 3.39Å; L176-I180 VanDerWaalsContact O-N 3.08Å
177	S	77.3	Confident	74.6	Confident	34 Å²	34	45.2 Å²	45.2	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-44.8	177.2	-62.1	0	0	0	0	112.8	R159 K173 A174 L175 I180 M181	R159-S177 PolarHBondContact NH1-OG 3.48Å; R159-S177 VanDerWaalsContact NH1-OG 3.08Å; R159-S177 PolarHBondContact NH2-OG 3.4Å; K173-S177 VanDerWaalsContact O-CB 3.29Å; K173-S177 WeakPolarHBondContact O-CB 3.02Å; K173-S177 PolarHBondContact O-N 3.32Å; K173-S177 PolarHBondContact O-OG 3.48Å; A174-S177 WeakPolarHBondContact O-CB 3.44Å; A174-S177 PolarHBondContact O-N 2.8Å; L175-S177 PolarHBondContact O-N 2.93Å; S177-I180 PolarHBondContact O-N 3.27Å; S177-M181 PolarHBondContact O-N 3.26Å; S177-M181 VanDerWaalsContact O-N 3.07Å
178	K	77.5	Confident	74.4	Confident	35 Å²	35	41.2 Å²	41.2	15%	0.152	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-50	177.3	-174.7	-174.1	-179.6	-167.1	0	111.1	A174 L175 I180 M181 E182 E469 L470	A174-K178 PolarHBondContact O-N 3Å; L175-K178 WeakPolarHBondContact O-CB 3.4Å; L175-K178 PolarHBondContact O-N 2.83Å; K178-I180 VanDerWaalsContact C-N 3.34Å; K178-I180 PolarHBondContact O-N 3.48Å; K178-M181 WeakPolarHBondContact O-CB 3.49Å; K178-M181 PolarHBondContact O-N 3Å; K178-M181 VanDerWaalsContact O-N 3.08Å; K178-E182 VanDerWaalsContact CE-OE1 3.26Å; K178-E182 WeakPolarHBondContact CE-OE1 3.18Å; K178-E182 PolarHBondContact O-N 3.04Å; K178-E469 HydrophobicContact CD-CB 4.38Å; K178-E469 PolarHBondContact NZ-O 3.27Å; K178-E469 IonicContact NZ-OE2 2.75Å; K178-E469 PolarHBondContact NZ-OE2 3.15Å; K178-L470 HydrophobicContact CD-CD2 4.29Å
179	Y	73.2	Confident	73.7	Confident	7 Å²	7	44.1 Å²	44.1	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-44.9	178.5	-77.6	-7.6	0	0	0	112.6	V95 E99 K140 L175 L176 M181 E182 F183 E469	V95-Y179 HydrophobicContact CG1-CD2 4.22Å; V95-Y179 HydrophobicContact CG1-CE2 3.98Å; E99-Y179 PolarHBondContact OE1-OH 3.2Å; K140-Y179 PolarHBondContact NZ-OH 3.43Å; L175-Y179 HydrophobicContact CD1-CE1 4.15Å; L175-Y179 HydrophobicContact CD1-CE2 4.16Å; L175-Y179 HydrophobicContact CD2-CE2 4.44Å; L175-Y179 HydrophobicContact CG-CD2 4.39Å; L175-Y179 HydrophobicContact CG-CE2 4.16Å; L175-Y179 PolarHBondContact O-N 2.98Å; L176-Y179 PolarHBondContact O-N 3.33Å; Y179-M181 VanDerWaalsContact C-N 3.33Å; Y179-M181 PolarHBondContact O-N 3.41Å; Y179-E182 PolarHBondContact O-N 3.35Å; Y179-F183 VanDerWaalsContact C-CE2 3.43Å; Y179-F183 HydrophobicContact CG-CZ 4.34Å; Y179-F183 WeakPolarHBondContact O-CD1 3.44Å; Y179-F183 WeakPolarHBondContact O-CD2 3.1Å; Y179-F183 WeakPolarHBondContact O-CE2 3.28Å; Y179-F183 WeakPolarHBondContact O-CG 3.01Å; Y179-F183 WeakPolarHBondContact O-CZ 3.38Å; Y179-F183 PolarHBondContact O-N 3.46Å; Y179-E469 HydrophobicContact CE1-CG 4.08Å
180	I	71.1	Confident	72.9	Confident	18 Å²	18	41.3 Å²	41.3	9%	0.092	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-42.5	175.5	-70.4	166.4	0	0	0	111.9	P155 R159 L176 S177 K178 F183 K184	P155-I180 HydrophobicContact CB-CB 4.47Å; P155-I180 HydrophobicContact CB-CG1 4.11Å; P155-I180 HydrophobicContact CB-CG2 3.72Å; R159-I180 HydrophobicContact CB-CD1 3.98Å; R159-I180 HydrophobicContact CG-CD1 3.55Å; L176-I180 HydrophobicContact CD1-CD1 4.19Å; L176-I180 HydrophobicContact CG-CD1 4.02Å; L176-I180 WeakPolarHBondContact O-CG1 3.29Å; L176-I180 PolarHBondContact O-N 3.39Å; L176-I180 VanDerWaalsContact O-N 3.08Å; S177-I180 PolarHBondContact O-N 3.27Å; K178-I180 VanDerWaalsContact C-N 3.34Å; K178-I180 PolarHBondContact O-N 3.48Å; I180-F183 WeakPolarHBondContact O-CB 3.36Å; I180-F183 PolarHBondContact O-N 2.82Å; I180-K184 PolarHBondContact O-N 3.2Å
181	M	72.6	Confident	72.4	Confident	80 Å²	80	39.1 Å²	39.1	39%	0.394	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-46.4	177.7	-173.1	-179	-66.2	0	0	111.8	S177 K178 Y179 F183 K184 L185	S177-M181 PolarHBondContact O-N 3.26Å; S177-M181 VanDerWaalsContact O-N 3.07Å; K178-M181 WeakPolarHBondContact O-CB 3.49Å; K178-M181 PolarHBondContact O-N 3Å; K178-M181 VanDerWaalsContact O-N 3.08Å; Y179-M181 VanDerWaalsContact C-N 3.33Å; Y179-M181 PolarHBondContact O-N 3.41Å; M181-F183 PolarHBondContact O-N 3Å; M181-K184 PolarHBondContact O-N 3.41Å; M181-L185 HydrophobicContact CG-CD1 4.28Å; M181-L185 WeakPolarHBondContact O-CG 2.98Å; M181-L185 PolarHBondContact O-N 2.92Å
182	E	70.6	Confident	71.6	Confident	73 Å²	73	44.4 Å²	44.4	34%	0.341	23%	0.229	S	C	.	.	H	α-helix	trans	-58.4	-36.7	175.2	-71.8	-179.7	170.8	0	0	111.3	K178 Y179 L185 N186	K178-E182 VanDerWaalsContact CE-OE1 3.26Å; K178-E182 WeakPolarHBondContact CE-OE1 3.18Å; K178-E182 PolarHBondContact O-N 3.04Å; Y179-E182 PolarHBondContact O-N 3.35Å; E182-L185 PolarHBondContact O-N 3.4Å; E182-N186 WeakPolarHBondContact O-CB 3.4Å; E182-N186 PolarHBondContact O-N 2.88Å; E182-N186 PolarHBondContact O-ND2 2.91Å
183	F	67.2	Low	71	Confident	9 Å²	9	51 Å²	51	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-44.2	176.1	-59.9	-30	0	0	0	113.5	L144 Y179 I180 M181 L185 N186 G187 L188	L144-F183 HydrophobicContact CB-CE1 3.74Å; L144-F183 HydrophobicContact CB-CE2 3.84Å; L144-F183 HydrophobicContact CB-CZ 3.41Å; L144-F183 VanDerWaalsContact CB-CZ 3.41Å; L144-F183 HydrophobicContact CD1-CE1 3.55Å; L144-F183 HydrophobicContact CD1-CE2 4.19Å; L144-F183 HydrophobicContact CD1-CZ 3.13Å; L144-F183 HydrophobicContact CD2-CE2 4.12Å; L144-F183 HydrophobicContact CD2-CZ 3.84Å; L144-F183 HydrophobicContact CG-CE1 4.12Å; L144-F183 HydrophobicContact CG-CE2 4.18Å; L144-F183 HydrophobicContact CG-CZ 3.53Å; Y179-F183 VanDerWaalsContact C-CE2 3.43Å; Y179-F183 HydrophobicContact CG-CZ 4.34Å; Y179-F183 WeakPolarHBondContact O-CD1 3.44Å; Y179-F183 WeakPolarHBondContact O-CD2 3.1Å; Y179-F183 WeakPolarHBondContact O-CE2 3.28Å; Y179-F183 WeakPolarHBondContact O-CG 3.01Å; Y179-F183 WeakPolarHBondContact O-CZ 3.38Å; Y179-F183 PolarHBondContact O-N 3.46Å; I180-F183 WeakPolarHBondContact O-CB 3.36Å; I180-F183 PolarHBondContact O-N 2.82Å; M181-F183 PolarHBondContact O-N 3Å; F183-L185 VanDerWaalsContact C-N 3.26Å; F183-L185 PolarHBondContact O-N 3.22Å; F183-N186 CarbonylContact O-C 3.43Å; F183-N186 PolarHBondContact O-N 2.9Å; F183-N186 VanDerWaalsContact O-N 3.12Å; F183-G187 PolarHBondContact O-N 2.91Å; F183-L188 HydrophobicContact CB-CB 4.07Å; F183-L188 HydrophobicContact CB-CD1 3.45Å; F183-L188 VanDerWaalsContact CB-CD1 3.45Å; F183-L188 HydrophobicContact CB-CG 4.36Å; F183-L188 HydrophobicContact CD1-CD1 3.44Å; F183-L188 VanDerWaalsContact CD1-CD1 3.44Å; F183-L188 HydrophobicContact CG-CD1 3.61Å; F183-L188 PolarHBondContact O-N 3.42Å; F183-L188 VanDerWaalsContact O-N 3.15Å
184	K	67.1	Low	70.5	Confident	85 Å²	85	51.4 Å²	51.4	37%	0.37	26%	0.258	S	S	.	.	H	α-helix	trans	-58.4	-43.9	176.4	-172.1	178.2	-177.4	-172.1	0	110.3	I180 M181 N186 G187 F275	I180-K184 PolarHBondContact O-N 3.2Å; M181-K184 PolarHBondContact O-N 3.41Å; K184-N186 VanDerWaalsContact C-N 3.29Å; K184-N186 PolarHBondContact O-N 2.93Å; K184-G187 PolarHBondContact O-N 3.44Å; K184-F275 WeakPolarHBondContact O-CE1 3.41Å
185	L	68.3	Low	69.7	Low	51 Å²	51	52.6 Å²	52.6	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-69.1	-24.5	177.7	-66	175.4	0	0	0	113.5	M181 E182 F183	M181-L185 HydrophobicContact CG-CD1 4.28Å; M181-L185 WeakPolarHBondContact O-CG 2.98Å; M181-L185 PolarHBondContact O-N 2.92Å; E182-L185 PolarHBondContact O-N 3.4Å; F183-L185 VanDerWaalsContact C-N 3.26Å; F183-L185 PolarHBondContact O-N 3.22Å
186	N	66.6	Low	68.9	Low	77 Å²	77	61.3 Å²	61.3	41%	0.412	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	12.2	174.3	-75.2	-70.3	0	0	0	113.8	E182 F183 K184 L188	E182-N186 WeakPolarHBondContact O-CB 3.4Å; E182-N186 PolarHBondContact O-N 2.88Å; E182-N186 PolarHBondContact O-ND2 2.91Å; F183-N186 CarbonylContact O-C 3.43Å; F183-N186 PolarHBondContact O-N 2.9Å; F183-N186 VanDerWaalsContact O-N 3.12Å; K184-N186 VanDerWaalsContact C-N 3.29Å; K184-N186 PolarHBondContact O-N 2.93Å; N186-L188 PolarHBondContact O-N 2.92Å
187	G	62.2	Low	68.4	Low	1 Å²	1	65.3 Å²	65.3	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	23.4	170.8	0	0	0	0	0	116	F183 K184 M190	F183-G187 PolarHBondContact O-N 2.91Å; K184-G187 PolarHBondContact O-N 3.44Å; G187-M190 WeakPolarHBondContact CA-SD 3.5Å; G187-M190 WeakPolarHBondContact O-CB 3.47Å; G187-M190 WeakPolarHBondContact O-CG 3.45Å; G187-M190 PolarHBondContact O-N 3.18Å
188	L	62.5	Low	67.8	Low	40 Å²	40	65.8 Å²	65.8	21%	0.209	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.7	-179.1	-88.4	148.8	0	0	0	114.3	K145 F183 N186 M190	K145-L188 HydrophobicContact CB-CD2 3.59Å; K145-L188 HydrophobicContact CD-CD2 4.22Å; K145-L188 HydrophobicContact CG-CD2 3.59Å; F183-L188 HydrophobicContact CB-CB 4.07Å; F183-L188 HydrophobicContact CB-CD1 3.45Å; F183-L188 VanDerWaalsContact CB-CD1 3.45Å; F183-L188 HydrophobicContact CB-CG 4.36Å; F183-L188 HydrophobicContact CD1-CD1 3.44Å; F183-L188 VanDerWaalsContact CD1-CD1 3.44Å; F183-L188 HydrophobicContact CG-CD1 3.61Å; F183-L188 PolarHBondContact O-N 3.42Å; F183-L188 VanDerWaalsContact O-N 3.15Å; N186-L188 PolarHBondContact O-N 2.92Å; L188-M190 VanDerWaalsContact C-N 3.26Å; L188-M190 PolarHBondContact O-N 3.13Å
189	E	63.2	Low	67	Low	74 Å²	74	66.2 Å²	66.2	35%	0.346	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.4	177.3	-63.4	-179.1	167.1	0	0	113.3	P155	P155-E189 WeakPolarHBondContact CD-OE1 3.45Å; P155-E189 HydrophobicContact CG-CG 3.93Å; P155-E189 VanDerWaalsContact CG-OE1 3.29Å; P155-E189 WeakPolarHBondContact CG-OE1 3.34Å
190	M	65.9	Low	66.4	Low	19 Å²	19	71 Å²	71	9%	0.094	34%	0.34	C	S	.	.	S	Bend	trans	-73.3	141.4	-175.2	-62.3	173.2	67.9	0	0	111.2	G187 L188 K194 K195 W198 T274 F275	G187-M190 WeakPolarHBondContact CA-SD 3.5Å; G187-M190 WeakPolarHBondContact O-CB 3.47Å; G187-M190 WeakPolarHBondContact O-CG 3.45Å; G187-M190 PolarHBondContact O-N 3.18Å; L188-M190 VanDerWaalsContact C-N 3.26Å; L188-M190 PolarHBondContact O-N 3.13Å; M190-K194 HydrophobicContact CB-CB 4.07Å; M190-K194 HydrophobicContact CE-CB 3.51Å; M190-K194 HydrophobicContact CE-CD 4.47Å; M190-K194 VanDerWaalsContact CE-O 3.31Å; M190-K194 WeakPolarHBondContact CE-O 3.37Å; M190-K195 HydrophobicContact CB-CB 4.5Å; M190-W198 HydrophobicContact CE-CB 3.94Å; M190-W198 HydrophobicContact SD-CB 4.35Å; M190-W198 HydrophobicContact SD-CG 4.45Å; M190-T274 HydrophobicContact CE-CG2 3.33Å; M190-F275 HydrophobicContact CG-CE1 4.19Å; M190-F275 HydrophobicContact SD-CD1 4.16Å; M190-F275 HydrophobicContact SD-CE1 3.51Å; M190-F275 VanDerWaalsContact SD-CE1 3.51Å; M190-F275 HydrophobicContact SD-CE2 4.3Å; M190-F275 HydrophobicContact SD-CZ 3.58Å; M190-F275 VanDerWaalsContact SD-CZ 3.58Å
191	S	67.6	Low	65.9	Low	67 Å²	67	71.6 Å²	71.6	47%	0.469	34%	0.342	S	S	.	.			trans	-58.9	153.2	169.3	65.8	0	0	0	0	111.1	K193 K194 K195	S191-K193 PolarHBondContact O-N 3.37Å; S191-K194 PolarHBondContact O-N 2.85Å; S191-K195 WeakPolarHBondContact O-CB 3.43Å; S191-K195 PolarHBondContact O-N 3.08Å
192	D	67	Low	65.2	Low	128 Å²	128	72 Å²	72	68%	0.684	34%	0.34	S	S	*	.	H	α-helix	trans	-52.8	-35.1	-178.5	-77	-33.8	0	0	0	113	K195 R196	D192-K195 PolarHBondContact O-N 2.87Å; D192-R196 WeakPolarHBondContact O-CG 3.43Å; D192-R196 PolarHBondContact O-N 3Å
193	K	71.3	Confident	64.3	Low	169 Å²	169	76.4 Å²	76.4	74%	0.735	35%	0.353	S	S	*	.	H	α-helix	trans	-62.9	-53.2	174.4	-175.3	-179.8	179.7	-178.8	0	111.9	S191 K195 R196 L197	S191-K193 PolarHBondContact O-N 3.37Å; K193-K195 VanDerWaalsContact C-N 3.26Å; K193-K195 PolarHBondContact O-N 2.99Å; K193-R196 PolarHBondContact O-N 3.16Å; K193-L197 PolarHBondContact O-N 3.46Å
194	K	70.3	Confident	63.6	Low	94 Å²	94	81.8 Å²	81.8	41%	0.409	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-35	178.5	-74.4	-166.7	171.6	-164.1	0	111.1	M190 S191 L197 W198 T274	M190-K194 HydrophobicContact CB-CB 4.07Å; M190-K194 HydrophobicContact CE-CB 3.51Å; M190-K194 HydrophobicContact CE-CD 4.47Å; M190-K194 VanDerWaalsContact CE-O 3.31Å; M190-K194 WeakPolarHBondContact CE-O 3.37Å; S191-K194 PolarHBondContact O-N 2.85Å; K194-L197 WeakPolarHBondContact O-CB 3.46Å; K194-L197 PolarHBondContact O-N 3.45Å; K194-W198 PolarHBondContact O-N 3.18Å; K194-T274 PolarHBondContact NZ-O 3.45Å; K194-T274 VanDerWaalsContact NZ-O 3.14Å
195	K	64.1	Low	62.9	Low	39 Å²	39	79 Å²	79	17%	0.17	36%	0.36	C	S	.	.	H	α-helix	trans	-66.1	-40.6	177.7	-173.4	175.3	-168.4	143.7	0	113.1	M190 S191 D192 K193 L197 W198 V199	M190-K195 HydrophobicContact CB-CB 4.5Å; S191-K195 WeakPolarHBondContact O-CB 3.43Å; S191-K195 PolarHBondContact O-N 3.08Å; D192-K195 PolarHBondContact O-N 2.87Å; K193-K195 VanDerWaalsContact C-N 3.26Å; K193-K195 PolarHBondContact O-N 2.99Å; K195-L197 VanDerWaalsContact C-N 3.33Å; K195-W198 WeakPolarHBondContact O-CB 3.33Å; K195-W198 PolarHBondContact O-N 3.33Å; K195-V199 HydrophobicContact CG-CG2 4.43Å; K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.05Å
196	R	65.4	Low	61.9	Low	183 Å²	183	79.6 Å²	79.6	69%	0.691	36%	0.364	S	S	*	.	H	α-helix	trans	-59.2	-46.6	173.8	-75.8	178.9	-174	-175.4	2.2	110.9	D192 K193 W198 V199 E200	D192-R196 WeakPolarHBondContact O-CG 3.43Å; D192-R196 PolarHBondContact O-N 3Å; K193-R196 PolarHBondContact O-N 3.16Å; R196-W198 VanDerWaalsContact C-N 3.31Å; R196-W198 PolarHBondContact O-N 3.19Å; R196-V199 PolarHBondContact O-N 3.45Å; R196-E200 WeakPolarHBondContact O-CB 3.09Å; R196-E200 VanDerWaalsContact O-CG 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.1Å; R196-E200 PolarHBondContact O-N 3.28Å
197	L	66.2	Low	60.9	Low	88 Å²	88	84.1 Å²	84.1	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-57.2	-44.4	174	-66.4	169.9	0	0	0	111.5	K193 K194 K195 E200 E201	K193-L197 PolarHBondContact O-N 3.46Å; K194-L197 WeakPolarHBondContact O-CB 3.46Å; K194-L197 PolarHBondContact O-N 3.45Å; K195-L197 VanDerWaalsContact C-N 3.33Å; L197-E200 PolarHBondContact O-N 3.39Å; L197-E201 VanDerWaalsContact O-CB 3.26Å; L197-E201 WeakPolarHBondContact O-CB 3.46Å; L197-E201 PolarHBondContact O-N 3.22Å
198	W	63.9	Low	60	Low	44 Å²	44	87.6 Å²	87.6	17%	0.167	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-45.7	176.3	179.1	84.5	0	0	0	113.4	M190 K194 K195 R196 E201 Y202 F275	M190-W198 HydrophobicContact CE-CB 3.94Å; M190-W198 HydrophobicContact SD-CB 4.35Å; M190-W198 HydrophobicContact SD-CG 4.45Å; K194-W198 PolarHBondContact O-N 3.18Å; K195-W198 WeakPolarHBondContact O-CB 3.33Å; K195-W198 PolarHBondContact O-N 3.33Å; R196-W198 VanDerWaalsContact C-N 3.31Å; R196-W198 PolarHBondContact O-N 3.19Å; W198-E201 PolarHBondContact O-N 2.96Å; W198-Y202 HydrophobicContact CZ2-CD2 4.39Å; W198-Y202 VanDerWaalsContact O-CB 3.26Å; W198-Y202 WeakPolarHBondContact O-CB 3.38Å; W198-Y202 PolarHBondContact O-N 3.49Å; W198-F275 AromaticContact CD1-CE2 3.84Å; W198-F275 AromaticContact NE1-CE2 3.98Å
199	V	60.9	Low	59	Low	45 Å²	45	88.1 Å²	88.1	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-40.9	178.2	172.3	0	0	0	0	110.9	K195 R196 E201 R203	K195-V199 HydrophobicContact CG-CG2 4.43Å; K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.05Å; R196-V199 PolarHBondContact O-N 3.45Å; V199-E201 VanDerWaalsContact C-N 3.35Å; V199-R203 HydrophobicContact CG1-CG 4.32Å; V199-R203 VanDerWaalsContact O-CB 3.28Å; V199-R203 WeakPolarHBondContact O-CB 3.15Å; V199-R203 VanDerWaalsContact O-CG 3.27Å; V199-R203 WeakPolarHBondContact O-CG 3.34Å; V199-R203 PolarHBondContact O-N 2.97Å
200	E	61.6	Low	58	Low	107 Å²	107	92 Å²	92	50%	0.5	42%	0.416	S	S	.	.	H	α-helix	trans	-61.1	-45.4	174.5	-75.5	170.7	-169.4	0	0	111	R196 L197 R204	R196-E200 WeakPolarHBondContact O-CB 3.09Å; R196-E200 VanDerWaalsContact O-CG 3.32Å; R196-E200 WeakPolarHBondContact O-CG 3.1Å; R196-E200 PolarHBondContact O-N 3.28Å; L197-E200 PolarHBondContact O-N 3.39Å; E200-R204 WeakPolarHBondContact O-CB 3.25Å; E200-R204 PolarHBondContact O-N 3.37Å
201	E	59.7	Low	56.8	Low	30 Å²	30	95.6 Å²	95.6	14%	0.14	44%	0.443	C	S	.	.	H	α-helix	trans	-63.4	-47.4	177.1	-164.4	58.4	-137.6	0	0	112	L197 W198 V199 R204 R205 K267	L197-E201 VanDerWaalsContact O-CB 3.26Å; L197-E201 WeakPolarHBondContact O-CB 3.46Å; L197-E201 PolarHBondContact O-N 3.22Å; W198-E201 PolarHBondContact O-N 2.96Å; V199-E201 VanDerWaalsContact C-N 3.35Å; E201-R204 WeakPolarHBondContact O-CB 3.32Å; E201-R204 PolarHBondContact O-N 2.83Å; E201-R204 IonicContact OE1-NH1 3.7Å; E201-R204 PolarHBondContact OE1-NH1 2.98Å; E201-R204 IonicContact OE2-CZ 3.95Å; E201-R204 IonicContact OE2-NH1 3.83Å; E201-R204 PolarHBondContact OE2-NH1 3.29Å; E201-R204 IonicContact OE2-NH2 3.7Å; E201-R204 PolarHBondContact OE2-NH2 3.06Å; E201-R205 WeakPolarHBondContact O-CG 3.41Å; E201-R205 PolarHBondContact O-N 3.33Å; E201-R205 VanDerWaalsContact O-N 3.12Å; E201-K267 WeakPolarHBondContact OE1-CA 3.18Å; E201-K267 WeakPolarHBondContact OE1-CB 3.5Å; E201-K267 WeakPolarHBondContact OE1-CG 3.39Å
202	Y	57.6	Low	55.6	Low	90 Å²	90	93.9 Å²	93.9	35%	0.353	43%	0.428	S	S	.	.	H	α-helix	trans	-63.6	-42.1	178.1	-176.4	-100.8	0	0	0	112.3	W198 R205 L206	W198-Y202 HydrophobicContact CZ2-CD2 4.39Å; W198-Y202 VanDerWaalsContact O-CB 3.26Å; W198-Y202 WeakPolarHBondContact O-CB 3.38Å; W198-Y202 PolarHBondContact O-N 3.49Å; Y202-R205 WeakPolarHBondContact O-CB 3.26Å; Y202-R205 PolarHBondContact O-N 3.28Å; Y202-L206 HydrophobicContact CD1-CD1 3.83Å; Y202-L206 HydrophobicContact CD1-CG 4.47Å; Y202-L206 HydrophobicContact CE1-CD1 3.29Å; Y202-L206 HydrophobicContact CE1-CG 3.99Å; Y202-L206 PolarHBondContact O-N 2.8Å
203	R	51.9	Low	54.4	Low	164 Å²	164	89.2 Å²	89.2	62%	0.619	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-43.6	173.4	-78.8	177.8	176.4	-175	-1.6	111.4	V199 R205 L206 F207	V199-R203 HydrophobicContact CG1-CG 4.32Å; V199-R203 VanDerWaalsContact O-CB 3.28Å; V199-R203 WeakPolarHBondContact O-CB 3.15Å; V199-R203 VanDerWaalsContact O-CG 3.27Å; V199-R203 WeakPolarHBondContact O-CG 3.34Å; V199-R203 PolarHBondContact O-N 2.97Å; R203-R205 PolarHBondContact O-N 3.45Å; R203-L206 PolarHBondContact O-N 3.08Å; R203-F207 WeakPolarHBondContact O-CD2 3.47Å; R203-F207 PolarHBondContact O-N 3.07Å
204	R	52.7	Low	52.8	Low	123 Å²	123	86.5 Å²	86.5	46%	0.464	40%	0.398	S	S	.	.	H	α-helix	trans	-57.2	-32.8	175.7	-128.2	-175.6	-68.1	125	3.8	111.7	E200 E201	E200-R204 WeakPolarHBondContact O-CB 3.25Å; E200-R204 PolarHBondContact O-N 3.37Å; E201-R204 WeakPolarHBondContact O-CB 3.32Å; E201-R204 PolarHBondContact O-N 2.83Å; E201-R204 IonicContact OE1-NH1 3.7Å; E201-R204 PolarHBondContact OE1-NH1 2.98Å; E201-R204 IonicContact OE2-CZ 3.95Å; E201-R204 IonicContact OE2-NH1 3.83Å; E201-R204 PolarHBondContact OE2-NH1 3.29Å; E201-R204 IonicContact OE2-NH2 3.7Å; E201-R204 PolarHBondContact OE2-NH2 3.06Å
205	R	53	Low	51.3	Low	26 Å²	26	89 Å²	89	10%	0.098	41%	0.414	C	S	.	.	H	α-helix	trans	-75.3	-48	175.9	-67.1	175.2	-173.9	-167.2	-0.3	113.8	E201 Y202 R203 F207 D208 T209 K267 L271 D584	E201-R205 WeakPolarHBondContact O-CG 3.41Å; E201-R205 PolarHBondContact O-N 3.33Å; E201-R205 VanDerWaalsContact O-N 3.12Å; Y202-R205 WeakPolarHBondContact O-CB 3.26Å; Y202-R205 PolarHBondContact O-N 3.28Å; R203-R205 PolarHBondContact O-N 3.45Å; R205-F207 VanDerWaalsContact C-N 3.27Å; R205-F207 PolarHBondContact O-N 3.39Å; R205-D208 PolarHBondContact O-N 3.5Å; R205-D208 VanDerWaalsContact O-N 3.11Å; R205-T209 PolarHBondContact O-N 3.15Å; R205-T209 PolarHBondContact O-OG1 3.27Å; R205-K267 HydrophobicContact CG-CD 4.07Å; R205-K267 VanDerWaalsContact NH2-C 3.25Å; R205-K267 PolarHBondContact NH2-O 3.05Å; R205-L271 VanDerWaalsContact NH2-CB 3.25Å; R205-D584 IonicContact NH1-OD2 2.8Å
206	L	47.3	Very low	50.2	Low	64 Å²	64	88.5 Å²	88.5	34%	0.335	41%	0.412	S	S	.	.	H	α-helix	trans	-55.2	-44.5	-177.6	-86.6	169	0	0	0	111.2	Y202 R203 D208 Y210	Y202-L206 HydrophobicContact CD1-CD1 3.83Å; Y202-L206 HydrophobicContact CD1-CG 4.47Å; Y202-L206 HydrophobicContact CE1-CD1 3.29Å; Y202-L206 HydrophobicContact CE1-CG 3.99Å; Y202-L206 PolarHBondContact O-N 2.8Å; R203-L206 PolarHBondContact O-N 3.08Å; L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 2.89Å; L206-Y210 HydrophobicContact CD2-CE2 3.95Å; L206-Y210 WeakPolarHBondContact O-CD2 3.43Å
207	F	44.8	Very low	49.1	Very low	172 Å²	172	84.2 Å²	84.2	75%	0.754	40%	0.402	S	S	*	.	H	α-helix	trans	-61.8	-33	-179.9	-86.4	-81.1	0	0	0	113.9	R203 R205	R203-F207 WeakPolarHBondContact O-CD2 3.47Å; R203-F207 PolarHBondContact O-N 3.07Å; R205-F207 VanDerWaalsContact C-N 3.27Å; R205-F207 PolarHBondContact O-N 3.39Å
208	D	43.9	Very low	47.7	Very low	73 Å²	73	86.6 Å²	86.6	39%	0.39	41%	0.409	S	S	.	.	H	α-helix	trans	-89.8	-30.7	-176.4	-64.5	-24.7	0	0	0	112.9	R205 L206 Y210 S211 K267	R205-D208 PolarHBondContact O-N 3.5Å; R205-D208 VanDerWaalsContact O-N 3.11Å; L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 2.89Å; D208-Y210 PolarHBondContact O-N 3Å; D208-S211 PolarHBondContact O-N 3.22Å; D208-S211 PolarHBondContact O-OG 2.95Å; D208-S211 VanDerWaalsContact O-OG 3.09Å; D208-K267 IonicContact OD2-NZ 3.53Å; D208-K267 PolarHBondContact OD2-NZ 2.96Å
209	T	40.6	Very low	46.5	Very low	51 Å²	51	86.4 Å²	86.4	31%	0.313	42%	0.417	S	S	.	.	H	α-helix	trans	-71.2	-32.8	-174.7	-32.8	0	0	0	0	111.8	R205 S211 L212 V213	R205-T209 PolarHBondContact O-N 3.15Å; R205-T209 PolarHBondContact O-OG1 3.27Å; T209-S211 PolarHBondContact O-N 3.31Å; T209-L212 PolarHBondContact O-N 3.43Å; T209-V213 HydrophobicContact CG2-CG2 4.05Å
210	Y	41.8	Very low	45.5	Very low	156 Å²	156	85 Å²	85	61%	0.612	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.5	178.7	-82.3	-73.6	0	0	0	113.6	L206 D208 L212	L206-Y210 HydrophobicContact CD2-CE2 3.95Å; L206-Y210 WeakPolarHBondContact O-CD2 3.43Å; D208-Y210 PolarHBondContact O-N 3Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 2.76Å
211	S	41.5	Very low	44.6	Very low	94 Å²	94	82.4 Å²	82.4	66%	0.657	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.6	179.3	72.1	0	0	0	0	114.2	D208 T209	D208-S211 PolarHBondContact O-N 3.22Å; D208-S211 PolarHBondContact O-OG 2.95Å; D208-S211 VanDerWaalsContact O-OG 3.09Å; T209-S211 PolarHBondContact O-N 3.31Å
212	L	42.1	Very low	43.7	Very low	31 Å²	31	84.3 Å²	84.3	16%	0.162	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-34.5	-167.3	-69	160.4	0	0	0	114.5	T209 Y210 D214 V260	T209-L212 PolarHBondContact O-N 3.43Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 2.76Å; L212-D214 PolarHBondContact O-N 3.32Å; L212-V260 HydrophobicContact CD1-CG1 3.54Å; L212-V260 HydrophobicContact CD1-CG2 4.41Å
213	V	41.8	Very low	42.9	Very low	30 Å²	30	81.1 Å²	81.1	18%	0.182	40%	0.401	C	S	.	.	H	α-helix	trans	-73.6	-31.1	-165	179.4	0	0	0	0	113.4	T209 I215 I217	T209-V213 HydrophobicContact CG2-CG2 4.05Å; V213-I215 PolarHBondContact O-N 3.19Å; V213-I217 HydrophobicContact CG1-CD1 3.56Å; V213-I217 HydrophobicContact CG1-CG1 4.44Å
214	D	38.6	Very low	42.5	Very low	113 Å²	113	78 Å²	78	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-77.5	-24.9	-170.1	-74	-19.6	0	0	0	114	L212	L212-D214 PolarHBondContact O-N 3.32Å
215	I	38.9	Very low	42	Very low	145 Å²	145	81.9 Å²	81.9	74%	0.744	40%	0.404	S	S	*	.	H	α-helix	trans	-88.9	-31.4	-176.4	-63.3	175.9	0	0	0	112.2	V213	V213-I215 PolarHBondContact O-N 3.19Å
216	Q	40.3	Very low	41.4	Very low	30 Å²	30	84.1 Å²	84.1	14%	0.14	42%	0.418	C	S	.	.	H	α-helix	trans	-83.5	-34.1	-172.2	-71.3	-177.4	-23.6	0	0	114.4	F218 S247	Q216-F218 VanDerWaalsContact C-N 3.3Å; Q216-F218 PolarHBondContact O-N 3.12Å; Q216-S247 PolarHBondContact NE2-O 3.39Å
217	I	42.4	Very low	41.3	Very low	93 Å²	93	83.2 Å²	83.2	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-64.1	-35.4	-174.6	-66	177	0	0	0	112	V213 S221	V213-I217 HydrophobicContact CG1-CD1 3.56Å; V213-I217 HydrophobicContact CG1-CG1 4.44Å; I217-S221 PolarHBondContact O-N 3.42Å; I217-S221 PolarHBondContact O-OG 2.76Å
218	F	36	Very low	41.2	Very low	137 Å²	137	80.4 Å²	80.4	60%	0.601	41%	0.409	S	S	*	.	H	α-helix	trans	-73.1	-43.4	-172.7	-152.9	-96.9	0	0	0	112.5	Q216 I222	Q216-F218 VanDerWaalsContact C-N 3.3Å; Q216-F218 PolarHBondContact O-N 3.12Å; F218-I222 HydrophobicContact CD1-CD1 3.86Å; F218-I222 HydrophobicContact CE1-CD1 3.61Å; F218-I222 HydrophobicContact CZ-CD1 4.2Å; F218-I222 WeakPolarHBondContact O-CG1 3.42Å
219	A	38.4	Very low	41.6	Very low	41 Å²	41	78.5 Å²	78.5	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-71.6	-41.6	-176.3	0	0	0	0	0	113	L223	A219-L223 PolarHBondContact O-N 3.47Å
220	V	41.8	Very low	42.7	Very low	15 Å²	15	79.4 Å²	79.4	9%	0.091	40%	0.396	C	S	.	.	H	α-helix	trans	-75.6	-36.7	-173.4	-178.5	0	0	0	0	112	I222 L223 R224 N577	V220-I222 PolarHBondContact O-N 2.95Å; V220-L223 PolarHBondContact O-N 3.23Å; V220-R224 HydrophobicContact CG1-CG 4.14Å; V220-R224 PolarHBondContact O-N 3.19Å; V220-N577 VanDerWaalsContact CG2-ND2 3.33Å; V220-N577 WeakPolarHBondContact CG2-ND2 3.43Å; V220-N577 WeakPolarHBondContact CG2-OD1 3.38Å
221	S	42	Very low	43.7	Very low	52 Å²	52	77 Å²	77	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-67.3	-38	-178.1	78.4	0	0	0	0	112.5	I217 L223 R225	I217-S221 PolarHBondContact O-N 3.42Å; I217-S221 PolarHBondContact O-OG 2.76Å; S221-L223 VanDerWaalsContact C-N 3.31Å; S221-L223 PolarHBondContact O-N 2.71Å; S221-R225 WeakPolarHBondContact O-CB 3.44Å; S221-R225 WeakPolarHBondContact O-CG 3.37Å; S221-R225 PolarHBondContact O-N 3.05Å
222	I	39.7	Very low	45	Very low	71 Å²	71	79.9 Å²	79.9	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-33.5	178.7	-64.9	174.3	0	0	0	110.8	F218 V220 N226	F218-I222 HydrophobicContact CD1-CD1 3.86Å; F218-I222 HydrophobicContact CE1-CD1 3.61Å; F218-I222 HydrophobicContact CZ-CD1 4.2Å; F218-I222 WeakPolarHBondContact O-CG1 3.42Å; V220-I222 PolarHBondContact O-N 2.95Å; I222-N226 WeakPolarHBondContact O-CB 3.4Å; I222-N226 PolarHBondContact O-ND2 3.47Å
223	L	41.6	Very low	46.5	Very low	22 Å²	22	84.7 Å²	84.7	12%	0.115	41%	0.406	C	S	.	.	H	α-helix	trans	-86.7	-36.1	-177.2	-68.9	172.3	0	0	0	113.7	A219 V220 S221 V243	A219-L223 PolarHBondContact O-N 3.47Å; V220-L223 PolarHBondContact O-N 3.23Å; S221-L223 VanDerWaalsContact C-N 3.31Å; S221-L223 PolarHBondContact O-N 2.71Å; L223-V243 HydrophobicContact CD1-CB 3.61Å; L223-V243 HydrophobicContact CD1-CG1 3.29Å; L223-V243 HydrophobicContact CD1-CG2 4.08Å
224	R	43.4	Very low	48.2	Very low	99 Å²	99	86.7 Å²	86.7	37%	0.374	41%	0.41	S	S	.	.	H	α-helix	trans	-70.8	-35.6	175.6	-79.3	-167.1	-174.1	163.6	13.4	112.9	V220 H574 D578	V220-R224 HydrophobicContact CG1-CG 4.14Å; V220-R224 PolarHBondContact O-N 3.19Å; R224-H574 PolarHBondContact NH2-CE1 3.03Å; R224-H574 PolarHBondContact NH2-NE2 2.52Å; R224-H574 VanDerWaalsContact NH2-NE2 3.16Å; R224-D578 IonicContact CZ-OD1 2.77Å; R224-D578 IonicContact NH1-OD1 2.96Å; R224-D578 PolarHBondContact NH1-OD1 3.2Å; R224-D578 IonicContact NH2-OD1 3.93Å; R224-D578 PolarHBondContact NH2-OD1 3.08Å; R224-D578 IonicContact NH2-OD2 2.76Å
225	R	42.3	Very low	49.9	Very low	204 Å²	204	84.1 Å²	84.1	77%	0.77	40%	0.399	S	S	*	.	H	α-helix	trans	-83.3	-29.4	-173.7	-74.5	-175.4	172.8	176.7	-2.2	114.3	S221	S221-R225 WeakPolarHBondContact O-CB 3.44Å; S221-R225 WeakPolarHBondContact O-CG 3.37Å; S221-R225 PolarHBondContact O-N 3.05Å
226	N	40.7	Very low	51.2	Low	73 Å²	73	80.3 Å²	80.3	39%	0.39	38%	0.38	S	S	.	.	S	Bend	trans	-81.6	128.9	176.7	-68.1	-36.7	0	0	0	107.4	I222 R228	I222-N226 WeakPolarHBondContact O-CB 3.4Å; I222-N226 PolarHBondContact O-ND2 3.47Å; N226-R228 HydrophobicContact CB-CG 3.98Å; N226-R228 PolarHBondContact O-N 3.37Å
227	G	44.3	Very low	52.7	Low	45 Å²	45	79 Å²	79	46%	0.464	37%	0.373	S	S	.	.	S	Bend	trans	-58.9	34.3	178.2	0	0	0	0	0	116.7	L229 Y230	G227-L229 PolarHBondContact O-N 2.85Å; G227-Y230 WeakPolarHBondContact O-CD2 3.2Å; G227-Y230 PolarHBondContact O-N 3.25Å; G227-Y230 VanDerWaalsContact O-N 3.08Å
228	R	44.1	Very low	54.2	Low	113 Å²	113	77 Å²	77	43%	0.426	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-67.2	-14.7	176.9	-61.1	-174.3	177	-174.2	-0.8	113.2	N226 Y230 F231 P240	N226-R228 HydrophobicContact CB-CG 3.98Å; N226-R228 PolarHBondContact O-N 3.37Å; R228-Y230 PolarHBondContact O-N 3.43Å; R228-F231 HydrophobicContact CB-CD2 4.38Å; R228-F231 HydrophobicContact CB-CE2 4.18Å; R228-F231 HydrophobicContact CG-CE2 4.19Å; R228-F231 WeakPolarHBondContact O-CD2 3.38Å; R228-P240 HydrophobicContact CB-CG 4.05Å
229	L	52.2	Low	55.7	Low	33 Å²	33	75.4 Å²	75.4	17%	0.173	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-73.4	-11.4	170.1	-71.4	161.1	0	0	0	112.6	G227 P240 D338	G227-L229 PolarHBondContact O-N 2.85Å; L229-P240 HydrophobicContact CD2-CB 4.43Å; L229-D338 HydrophobicContact CB-CB 4.37Å
230	Y	62.5	Low	56.7	Low	70 Å²	70	73.7 Å²	73.7	28%	0.275	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-101.2	16.1	-174.1	-53.5	-64.7	0	0	0	114.9	G227 R228 D338 R342	G227-Y230 WeakPolarHBondContact O-CD2 3.2Å; G227-Y230 PolarHBondContact O-N 3.25Å; G227-Y230 VanDerWaalsContact O-N 3.08Å; R228-Y230 PolarHBondContact O-N 3.43Å; Y230-D338 HydrophobicContact CE1-CB 4.4Å; Y230-D338 WeakPolarHBondContact CE1-O 3.31Å; Y230-R342 HydrophobicContact CD1-CB 4.18Å; Y230-R342 HydrophobicContact CD1-CG 4.41Å; Y230-R342 HydrophobicContact CE1-CB 4.02Å; Y230-R342 HydrophobicContact CE1-CG 4.42Å
231	F	63.7	Low	58	Low	105 Å²	105	74.8 Å²	74.8	46%	0.461	35%	0.349	S	S	.	.			trans	-81.5	134.2	175.1	-73.3	-75.3	0	0	0	111.9	R228 F233 I236 R237	R228-F231 HydrophobicContact CB-CD2 4.38Å; R228-F231 HydrophobicContact CB-CE2 4.18Å; R228-F231 HydrophobicContact CG-CE2 4.19Å; R228-F231 WeakPolarHBondContact O-CD2 3.38Å; F231-F233 VanDerWaalsContact C-N 3.25Å; F231-F233 PolarHBondContact O-N 2.64Å; F231-I236 HydrophobicContact CB-CB 4.27Å; F231-I236 HydrophobicContact CB-CG2 3.98Å; F231-I236 HydrophobicContact CD2-CG2 3.44Å; F231-I236 VanDerWaalsContact CD2-CG2 3.44Å; F231-I236 HydrophobicContact CE2-CG2 4.15Å; F231-I236 HydrophobicContact CG-CG2 3.88Å; F231-R237 VanDerWaalsContact O-CD 3.23Å; F231-R237 WeakPolarHBondContact O-CD 3.49Å; F231-R237 WeakPolarHBondContact O-CG 3.31Å
232	R	69.2	Low	59.1	Low	155 Å²	155	74.8 Å²	74.8	59%	0.585	35%	0.349	S	S	*	.	S	Bend	trans	-59.4	-36.8	174.4	-174.9	177	-173.5	-172.9	2.7	112.2	R234 V325 D326 Y339	R232-R234 PolarHBondContact O-N 2.98Å; R232-R234 VanDerWaalsContact O-N 3.08Å; R232-V325 PolarHBondContact NH2-O 3.06Å; R232-D326 IonicContact CZ-OD1 3.96Å; R232-D326 VanDerWaalsContact CZ-OD1 3.29Å; R232-D326 IonicContact NE-OD1 2.96Å; R232-D326 PolarHBondContact NE-OD1 3.22Å; R232-D326 IonicContact NH2-OD1 3.59Å; R232-D326 PolarHBondContact NH2-OD1 3.2Å; R232-Y339 HydrophobicContact CB-CE2 4.42Å; R232-Y339 WeakPolarHBondContact CB-OH 3.31Å; R232-Y339 WeakPolarHBondContact CG-OH 3.32Å
233	F	72	Confident	60.1	Low	132 Å²	132	73.6 Å²	73.6	58%	0.579	34%	0.344	S	S	*	.	S	Bend	trans	-71.1	106.1	179.9	-171.5	-120	0	0	0	111.1	F231 P235 I236	F231-F233 VanDerWaalsContact C-N 3.25Å; F231-F233 PolarHBondContact O-N 2.64Å; F233-P235 HydrophobicContact CD1-CB 4.19Å; F233-P235 HydrophobicContact CD1-CG 4.17Å; F233-P235 HydrophobicContact CE1-CB 3.7Å; F233-P235 HydrophobicContact CE1-CG 3.6Å; F233-P235 HydrophobicContact CE2-CG 4.06Å; F233-P235 HydrophobicContact CZ-CB 4.15Å; F233-P235 HydrophobicContact CZ-CG 3.54Å; F233-I236 HydrophobicContact CB-CD1 4.3Å; F233-I236 HydrophobicContact CD1-CD1 3.8Å; F233-I236 HydrophobicContact CD1-CG1 3.85Å; F233-I236 PolarHBondContact O-N 3.07Å
234	R	78.4	Confident	61.1	Low	72 Å²	72	73.2 Å²	73.2	27%	0.272	34%	0.343	S	S	.	.	H	α-helix	trans	-54.2	-40.8	-170.8	-170.2	170.7	-171.9	-134.8	6.8	115.2	R232 I236 R237 I238 L328 D336	R232-R234 PolarHBondContact O-N 2.98Å; R232-R234 VanDerWaalsContact O-N 3.08Å; R234-I236 PolarHBondContact O-N 3.24Å; R234-R237 WeakPolarHBondContact O-CB 3.47Å; R234-R237 PolarHBondContact O-N 3.01Å; R234-I238 HydrophobicContact CG-CD1 4.39Å; R234-I238 PolarHBondContact O-N 3.28Å; R234-L328 VanDerWaalsContact CZ-CD1 3.42Å; R234-L328 VanDerWaalsContact NH1-CD1 3.33Å; R234-D336 IonicContact CZ-OD1 2.89Å; R234-D336 IonicContact CZ-OD2 3.64Å; R234-D336 IonicContact NE-OD1 2.67Å; R234-D336 PolarHBondContact NE-OD1 3.39Å; R234-D336 IonicContact NE-OD2 3.57Å; R234-D336 PolarHBondContact NE-OD2 2.81Å; R234-D336 IonicContact NH2-OD2 2.69Å; R234-D336 PolarHBondContact NH2-OD2 2.93Å
235	P	73.7	Confident	62	Low	59 Å²	59	68.8 Å²	68.8	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-57.5	-32.5	176.6	-29	38.3	0	0	0	114.5	F233 R237 I238 I239	F233-P235 HydrophobicContact CD1-CB 4.19Å; F233-P235 HydrophobicContact CD1-CG 4.17Å; F233-P235 HydrophobicContact CE1-CB 3.7Å; F233-P235 HydrophobicContact CE1-CG 3.6Å; F233-P235 HydrophobicContact CE2-CG 4.06Å; F233-P235 HydrophobicContact CZ-CB 4.15Å; F233-P235 HydrophobicContact CZ-CG 3.54Å; P235-R237 VanDerWaalsContact C-N 3.3Å; P235-R237 PolarHBondContact O-N 3.3Å; P235-I238 PolarHBondContact O-N 3.11Å; P235-I239 WeakPolarHBondContact O-CG1 3.1Å; P235-I239 PolarHBondContact O-N 3.49Å
236	I	66.4	Low	62.6	Low	65 Å²	65	62.3 Å²	62.3	33%	0.333	31%	0.31	S	S	.	.	H	α-helix	trans	-70.6	-26.9	176.6	-68.2	167	0	0	0	111.6	F231 F233 R234 P240	F231-I236 HydrophobicContact CB-CB 4.27Å; F231-I236 HydrophobicContact CB-CG2 3.98Å; F231-I236 HydrophobicContact CD2-CG2 3.44Å; F231-I236 VanDerWaalsContact CD2-CG2 3.44Å; F231-I236 HydrophobicContact CE2-CG2 4.15Å; F231-I236 HydrophobicContact CG-CG2 3.88Å; F233-I236 HydrophobicContact CB-CD1 4.3Å; F233-I236 HydrophobicContact CD1-CD1 3.8Å; F233-I236 HydrophobicContact CD1-CG1 3.85Å; F233-I236 PolarHBondContact O-N 3.07Å; R234-I236 PolarHBondContact O-N 3.24Å; I236-P240 WeakPolarHBondContact O-CD 3.25Å; I236-P240 WeakPolarHBondContact O-CG 3.49Å
237	R	72.3	Confident	63.1	Low	2 Å²	2	60.4 Å²	60.4	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-75.8	-34	173.9	-61.6	-176.2	-67.9	-174.9	-1.4	112.3	F231 R234 P235 P240 F241 W335 D336 Y339	F231-R237 VanDerWaalsContact O-CD 3.23Å; F231-R237 WeakPolarHBondContact O-CD 3.49Å; F231-R237 WeakPolarHBondContact O-CG 3.31Å; R234-R237 WeakPolarHBondContact O-CB 3.47Å; R234-R237 PolarHBondContact O-N 3.01Å; P235-R237 VanDerWaalsContact C-N 3.3Å; P235-R237 PolarHBondContact O-N 3.3Å; R237-P240 WeakPolarHBondContact O-CD 3.39Å; R237-F241 PolarHBondContact O-N 3.43Å; R237-W335 HydrophobicContact CB-CB 4.46Å; R237-D336 IonicContact CZ-OD1 3.4Å; R237-D336 VanDerWaalsContact CZ-OD1 3.23Å; R237-D336 IonicContact NE-OD1 2.65Å; R237-D336 IonicContact NH1-OD1 2.7Å; R237-D336 IonicContact NH2-OD1 2.74Å; R237-D336 PolarHBondContact NH2-OD1 3.42Å; R237-Y339 VanDerWaalsContact NH1-CB 3.32Å
238	I	73.2	Confident	63.3	Low	52 Å²	52	58.3 Å²	58.3	27%	0.267	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-42.2	178.5	-65.1	171.6	0	0	0	110.5	R234 P235 F241 C242 W335	R234-I238 HydrophobicContact CG-CD1 4.39Å; R234-I238 PolarHBondContact O-N 3.28Å; P235-I238 PolarHBondContact O-N 3.11Å; I238-F241 PolarHBondContact O-N 2.97Å; I238-C242 VanDerWaalsContact CG2-SG 3.54Å; I238-C242 WeakPolarHBondContact O-CB 3.23Å; I238-C242 PolarHBondContact O-N 2.85Å; I238-C242 PolarHBondContact O-SG 2.96Å; I238-C242 VanDerWaalsContact O-SG 3.42Å; I238-W335 HydrophobicContact CD1-CZ2 4.46Å; I238-W335 HydrophobicContact CG1-CD2 3.88Å; I238-W335 HydrophobicContact CG1-CG 3.81Å; I238-W335 HydrophobicContact CG1-CZ2 4.44Å
239	I	66.9	Low	63.3	Low	104 Å²	104	57 Å²	57	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-57.7	-54.9	-175.8	-66.2	162.7	0	0	0	112.4	P235 F241 C242 V243	P235-I239 WeakPolarHBondContact O-CG1 3.1Å; P235-I239 PolarHBondContact O-N 3.49Å; I239-F241 VanDerWaalsContact C-N 3.3Å; I239-F241 PolarHBondContact O-N 2.99Å; I239-C242 PolarHBondContact O-N 3.2Å; I239-V243 HydrophobicContact CG2-CG2 4.37Å; I239-V243 VanDerWaalsContact O-CG2 3.28Å; I239-V243 WeakPolarHBondContact O-CG2 3.36Å; I239-V243 PolarHBondContact O-N 3.03Å
240	P	61.3	Low	62.9	Low	5 Å²	5	58.2 Å²	58.2	3%	0.032	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-37.5	175.8	-23.8	31.9	0	0	0	113.5	R228 L229 I236 R237 T244	R228-P240 HydrophobicContact CB-CG 4.05Å; L229-P240 HydrophobicContact CD2-CB 4.43Å; I236-P240 WeakPolarHBondContact O-CD 3.25Å; I236-P240 WeakPolarHBondContact O-CG 3.49Å; R237-P240 WeakPolarHBondContact O-CD 3.39Å; P240-T244 VanDerWaalsContact O-CB 3.27Å; P240-T244 WeakPolarHBondContact O-CB 3.24Å; P240-T244 PolarHBondContact O-N 3.03Å; P240-T244 PolarHBondContact O-OG1 3.5Å
241	F	68.1	Low	61.8	Low	38 Å²	38	64.7 Å²	64.7	17%	0.167	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-55.4	176.3	177.7	-93.8	0	0	0	110.5	R237 I238 I239 V243 T244 V245 P334 W335	R237-F241 PolarHBondContact O-N 3.43Å; I238-F241 PolarHBondContact O-N 2.97Å; I239-F241 VanDerWaalsContact C-N 3.3Å; I239-F241 PolarHBondContact O-N 2.99Å; F241-V243 VanDerWaalsContact C-N 3.31Å; F241-V243 PolarHBondContact O-N 3.5Å; F241-T244 PolarHBondContact O-N 3.16Å; F241-T244 VanDerWaalsContact O-N 3.07Å; F241-V245 HydrophobicContact CD1-CG2 4.22Å; F241-V245 HydrophobicContact CD2-CG2 4.15Å; F241-V245 HydrophobicContact CE1-CB 4.5Å; F241-V245 HydrophobicContact CE1-CG2 3.92Å; F241-V245 HydrophobicContact CE2-CG2 3.81Å; F241-V245 HydrophobicContact CG-CG2 4.34Å; F241-V245 HydrophobicContact CZ-CG2 3.71Å; F241-V245 VanDerWaalsContact O-CB 3.25Å; F241-V245 WeakPolarHBondContact O-CB 3.31Å; F241-V245 WeakPolarHBondContact O-CG2 3.39Å; F241-V245 PolarHBondContact O-N 3.17Å; F241-P334 HydrophobicContact CD2-CB 4.15Å; F241-P334 HydrophobicContact CE1-CB 4.48Å; F241-P334 HydrophobicContact CE2-CB 3.39Å; F241-P334 HydrophobicContact CE2-CG 4.32Å; F241-P334 HydrophobicContact CZ-CB 3.58Å; F241-P334 HydrophobicContact CZ-CG 4.02Å; F241-W335 HydrophobicContact CB-CB 3.81Å; F241-W335 AromaticContact CD1-CE3 3.5Å; F241-W335 HydrophobicContact CD1-CE3 3.5Å; F241-W335 HydrophobicContact CD1-CZ3 4.09Å; F241-W335 HydrophobicContact CD2-CB 4.5Å; F241-W335 AromaticContact CE1-CE3 3.72Å; F241-W335 HydrophobicContact CE1-CE3 3.72Å; F241-W335 AromaticContact CE1-CZ3 3.98Å; F241-W335 HydrophobicContact CE1-CZ3 3.98Å; F241-W335 HydrophobicContact CG-CB 4.06Å; F241-W335 HydrophobicContact CG-CE3 4.09Å; F241-W335 HydrophobicContact CZ-CE3 4.48Å
242	C	66	Low	60.7	Low	52 Å²	52	61.8 Å²	61.8	35%	0.351	32%	0.324	S	S	.	.	H	α-helix	trans	-55.5	-45.1	176.9	-72.9	0	0	0	0	111.3	I238 I239 V245 V246	I238-C242 VanDerWaalsContact CG2-SG 3.54Å; I238-C242 WeakPolarHBondContact O-CB 3.23Å; I238-C242 PolarHBondContact O-N 2.85Å; I238-C242 PolarHBondContact O-SG 2.96Å; I238-C242 VanDerWaalsContact O-SG 3.42Å; I239-C242 PolarHBondContact O-N 3.2Å; C242-V245 PolarHBondContact O-N 3.44Å; C242-V246 WeakPolarHBondContact O-CA 3.3Å; C242-V246 WeakPolarHBondContact O-CB 3.13Å; C242-V246 WeakPolarHBondContact O-CG2 3.45Å; C242-V246 PolarHBondContact O-N 3.1Å
243	V	60.6	Low	59.1	Low	45 Å²	45	60 Å²	60	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-46.5	176.4	177.8	0	0	0	0	110.5	L223 I239 F241 V245 V246 S247	L223-V243 HydrophobicContact CD1-CB 3.61Å; L223-V243 HydrophobicContact CD1-CG1 3.29Å; L223-V243 HydrophobicContact CD1-CG2 4.08Å; I239-V243 HydrophobicContact CG2-CG2 4.37Å; I239-V243 VanDerWaalsContact O-CG2 3.28Å; I239-V243 WeakPolarHBondContact O-CG2 3.36Å; I239-V243 PolarHBondContact O-N 3.03Å; F241-V243 VanDerWaalsContact C-N 3.31Å; F241-V243 PolarHBondContact O-N 3.5Å; V243-V245 PolarHBondContact O-N 2.89Å; V243-V245 VanDerWaalsContact O-N 3.14Å; V243-V246 PolarHBondContact O-N 3.31Å; V243-S247 VanDerWaalsContact CG1-OG 3.23Å; V243-S247 WeakPolarHBondContact CG1-OG 3.49Å; V243-S247 WeakPolarHBondContact O-CB 3.42Å; V243-S247 PolarHBondContact O-N 3.45Å; V243-S247 PolarHBondContact O-OG 3.38Å
244	T	61	Low	57.7	Low	15 Å²	15	61 Å²	61	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-27.8	178.6	-56.5	0	0	0	0	112.5	P240 F241 N577	P240-T244 VanDerWaalsContact O-CB 3.27Å; P240-T244 WeakPolarHBondContact O-CB 3.24Å; P240-T244 PolarHBondContact O-N 3.03Å; P240-T244 PolarHBondContact O-OG1 3.5Å; F241-T244 PolarHBondContact O-N 3.16Å; F241-T244 VanDerWaalsContact O-N 3.07Å; T244-N577 PolarHBondContact O-ND2 3.36Å
245	V	62.6	Low	56.2	Low	5 Å²	5	58.3 Å²	58.3	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-96.7	-33.4	-173.7	169.1	0	0	0	0	112.4	F241 C242 V243 G571 D572	F241-V245 HydrophobicContact CD1-CG2 4.22Å; F241-V245 HydrophobicContact CD2-CG2 4.15Å; F241-V245 HydrophobicContact CE1-CB 4.5Å; F241-V245 HydrophobicContact CE1-CG2 3.92Å; F241-V245 HydrophobicContact CE2-CG2 3.81Å; F241-V245 HydrophobicContact CG-CG2 4.34Å; F241-V245 HydrophobicContact CZ-CG2 3.71Å; F241-V245 VanDerWaalsContact O-CB 3.25Å; F241-V245 WeakPolarHBondContact O-CB 3.31Å; F241-V245 WeakPolarHBondContact O-CG2 3.39Å; F241-V245 PolarHBondContact O-N 3.17Å; C242-V245 PolarHBondContact O-N 3.44Å; V243-V245 PolarHBondContact O-N 2.89Å; V243-V245 VanDerWaalsContact O-N 3.14Å; V245-G571 WeakPolarHBondContact CG1-O 3.3Å; V245-D572 HydrophobicContact CG1-CB 3.89Å; V245-D572 WeakPolarHBondContact CG1-OD1 3.43Å
246	V	55.4	Low	55	Low	68 Å²	68	59.7 Å²	59.7	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-96.6	-21.5	-176	179.3	0	0	0	0	112.4	C242 V243 G248 L249	C242-V246 WeakPolarHBondContact O-CA 3.3Å; C242-V246 WeakPolarHBondContact O-CB 3.13Å; C242-V246 WeakPolarHBondContact O-CG2 3.45Å; C242-V246 PolarHBondContact O-N 3.1Å; V243-V246 PolarHBondContact O-N 3.31Å; V246-G248 PolarHBondContact O-N 3.12Å; V246-L249 HydrophobicContact CG1-CD1 4.3Å; V246-L249 WeakPolarHBondContact O-CB 3.29Å; V246-L249 PolarHBondContact O-N 2.85Å
247	S	51.2	Low	54.6	Low	33 Å²	33	57 Å²	57	23%	0.231	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-11.7	177	-60.2	0	0	0	0	113.8	Q216 V243 L249	Q216-S247 PolarHBondContact NE2-O 3.39Å; V243-S247 VanDerWaalsContact CG1-OG 3.23Å; V243-S247 WeakPolarHBondContact CG1-OG 3.49Å; V243-S247 WeakPolarHBondContact O-CB 3.42Å; V243-S247 PolarHBondContact O-N 3.45Å; V243-S247 PolarHBondContact O-OG 3.38Å; S247-L249 PolarHBondContact O-N 2.85Å
248	G	48.7	Very low	54.2	Low	1 Å²	1	58.6 Å²	58.6	1%	0.01	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-1.7	166.5	0	0	0	0	0	114.9	V246 P250 C257	V246-G248 PolarHBondContact O-N 3.12Å; G248-P250 WeakPolarHBondContact O-CD 3.37Å; G248-C257 WeakPolarHBondContact O-CB 3.45Å; G248-C257 PolarHBondContact O-SG 2.9Å
249	L	44.3	Very low	53.8	Low	87 Å²	87	60.8 Å²	60.8	46%	0.455	35%	0.345	S	S	.	.	S	Bend	trans	-115.6	89.8	176.4	-68	166.8	0	0	0	108.6	V246 S247 E251 Y573	V246-L249 HydrophobicContact CG1-CD1 4.3Å; V246-L249 WeakPolarHBondContact O-CB 3.29Å; V246-L249 PolarHBondContact O-N 2.85Å; S247-L249 PolarHBondContact O-N 2.85Å; L249-E251 PolarHBondContact O-N 2.64Å; L249-Y573 HydrophobicContact CD1-CD2 4.1Å; L249-Y573 HydrophobicContact CD1-CE2 4.2Å
250	P	43.5	Very low	53.6	Low	57 Å²	57	57.7 Å²	57.7	37%	0.37	33%	0.331	S	S	.	.			trans	-56.4	128.7	166.9	-19	28.2	0	0	0	109.2	G248 G252 C257	G248-P250 WeakPolarHBondContact O-CD 3.37Å; P250-G252 PolarHBondContact O-N 2.95Å; P250-C257 VanDerWaalsContact CD-SG 3.57Å
251	E	39.8	Very low	54	Low	206 Å²	206	57.7 Å²	57.7	96%	0.963	33%	0.331	S	S	*	.	S	Bend	trans	-60.8	108.5	160.2	-71.1	-169.2	169.2	0	0	107.7	L249	L249-E251 PolarHBondContact O-N 2.64Å
252	G	40.2	Very low	54.1	Low	44 Å²	44	58.4 Å²	58.4	45%	0.454	34%	0.336	S	S	.	.	S	Bend	trans	151.5	159.2	176.7	0	0	0	0	0	113	P250 F254 G255	P250-G252 PolarHBondContact O-N 2.95Å; G252-F254 PolarHBondContact O-N 3.18Å; G252-G255 PolarHBondContact O-N 3.32Å
253	P	36.5	Very low	54.4	Low	118 Å²	118	59 Å²	59	77%	0.766	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.3	-178.7	24.2	-32.5	0	0	0	114.1
254	F	42	Very low	54.9	Low	154 Å²	154	57.8 Å²	57.8	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-2	175.4	-55.3	-72.5	0	0	0	113.7	I11 G252 N256	I11-F254 HydrophobicContact CD1-CE1 4.34Å; I11-F254 HydrophobicContact CD1-CZ 4.02Å; G252-F254 PolarHBondContact O-N 3.18Å; F254-N256 PolarHBondContact O-N 3.02Å
255	G	46.6	Very low	55.8	Low	14 Å²	14	58 Å²	58	14%	0.144	33%	0.329	C	S	.	.			trans	-70.6	32.2	-177.8	0	0	0	0	0	115.5	G252 C257	G252-G255 PolarHBondContact O-N 3.32Å; G255-C257 PolarHBondContact O-N 3.45Å; G255-C257 VanDerWaalsContact O-N 3.13Å
256	N	48.4	Very low	56.5	Low	88 Å²	88	65.2 Å²	65.2	47%	0.471	36%	0.36	S	S	.	.			trans	-85.4	42.9	-176.6	-98.8	-12.2	0	0	0	111.6	F254 S258 I259 V260	F254-N256 PolarHBondContact O-N 3.02Å; N256-S258 PolarHBondContact O-N 2.68Å; N256-I259 HydrophobicContact CB-CB 4.14Å; N256-I259 HydrophobicContact CB-CD1 4.23Å; N256-I259 WeakPolarHBondContact ND2-CD1 3.41Å; N256-I259 WeakPolarHBondContact O-CA 3.07Å; N256-I259 PolarHBondContact O-N 3.35Å; N256-V260 WeakPolarHBondContact O-CG2 3.31Å; N256-V260 PolarHBondContact O-N 2.85Å
257	C	59	Low	57.5	Low	9 Å²	9	62.6 Å²	62.6	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-55.1	-28.8	-174.3	-67.3	0	0	0	0	113.3	G248 P250 G255 A261 C576	G248-C257 WeakPolarHBondContact O-CB 3.45Å; G248-C257 PolarHBondContact O-SG 2.9Å; P250-C257 VanDerWaalsContact CD-SG 3.57Å; G255-C257 PolarHBondContact O-N 3.45Å; G255-C257 VanDerWaalsContact O-N 3.13Å; C257-A261 WeakPolarHBondContact O-CB 3.26Å; C257-A261 PolarHBondContact O-N 3.07Å; C257-C576 HydrophobicContact CB-CB 3.82Å
258	S	63.5	Low	58.9	Low	36 Å²	36	61.2 Å²	61.2	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-67.8	-42.5	172	-174	0	0	0	0	113.5	N256 A261 L262 F551 W552	N256-S258 PolarHBondContact O-N 2.68Å; S258-A261 WeakPolarHBondContact O-CB 3.33Å; S258-A261 PolarHBondContact O-N 2.97Å; S258-L262 WeakPolarHBondContact O-CG 3.48Å; S258-L262 PolarHBondContact O-N 3.35Å; S258-F551 WeakPolarHBondContact OG-CE2 3.47Å; S258-F551 WeakPolarHBondContact OG-CZ 3.34Å; S258-W552 PolarHBondContact OG-NE1 3.17Å
259	I	65.1	Low	60.5	Low	97 Å²	97	62.4 Å²	62.4	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-69.3	-40.1	175.6	-71.6	163.3	0	0	0	110	N256 A261 L262 D263	N256-I259 HydrophobicContact CB-CB 4.14Å; N256-I259 HydrophobicContact CB-CD1 4.23Å; N256-I259 WeakPolarHBondContact ND2-CD1 3.41Å; N256-I259 WeakPolarHBondContact O-CA 3.07Å; N256-I259 PolarHBondContact O-N 3.35Å; I259-A261 VanDerWaalsContact C-N 3.33Å; I259-A261 PolarHBondContact O-N 2.97Å; I259-L262 PolarHBondContact O-N 3.14Å; I259-D263 WeakPolarHBondContact O-CB 3.46Å; I259-D263 PolarHBondContact O-N 3.3Å
260	V	63	Low	62.2	Low	39 Å²	39	59.7 Å²	59.7	24%	0.236	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-44.4	174.2	173.2	0	0	0	0	110.7	L212 N256 D263 S264	L212-V260 HydrophobicContact CD1-CG1 3.54Å; L212-V260 HydrophobicContact CD1-CG2 4.41Å; N256-V260 WeakPolarHBondContact O-CG2 3.31Å; N256-V260 PolarHBondContact O-N 2.85Å; V260-D263 PolarHBondContact O-N 3.37Å; V260-S264 VanDerWaalsContact O-CB 3.23Å; V260-S264 WeakPolarHBondContact O-CB 3.48Å; V260-S264 PolarHBondContact O-N 2.92Å; V260-S264 PolarHBondContact O-OG 3.42Å
261	A	68.1	Low	63.8	Low	5 Å²	5	57.6 Å²	57.6	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-47.5	174.7	0	0	0	0	0	110.9	C257 S258 I259 D263 R265 V581	C257-A261 WeakPolarHBondContact O-CB 3.26Å; C257-A261 PolarHBondContact O-N 3.07Å; S258-A261 WeakPolarHBondContact O-CB 3.33Å; S258-A261 PolarHBondContact O-N 2.97Å; I259-A261 VanDerWaalsContact C-N 3.33Å; I259-A261 PolarHBondContact O-N 2.97Å; A261-D263 PolarHBondContact O-N 3.07Å; A261-R265 WeakPolarHBondContact O-CB 3.28Å; A261-R265 PolarHBondContact O-N 3.22Å; A261-V581 VanDerWaalsContact CA-CG1 3.4Å; A261-V581 HydrophobicContact CB-CB 3.68Å; A261-V581 HydrophobicContact CB-CG1 3.5Å; A261-V581 HydrophobicContact CB-CG2 3.98Å; A261-V581 WeakPolarHBondContact O-CG1 3.33Å
262	L	71.6	Confident	65.9	Low	53 Å²	53	47.8 Å²	47.8	28%	0.277	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-44.6	176.6	-75.1	173.4	0	0	0	113.1	S258 I259 K266 F551	S258-L262 WeakPolarHBondContact O-CG 3.48Å; S258-L262 PolarHBondContact O-N 3.35Å; I259-L262 PolarHBondContact O-N 3.14Å; L262-K266 WeakPolarHBondContact O-CG 3.46Å; L262-K266 PolarHBondContact O-N 2.77Å; L262-F551 HydrophobicContact CD1-CD2 3.94Å; L262-F551 HydrophobicContact CD1-CE2 3.85Å; L262-F551 HydrophobicContact CD2-CD2 4.06Å; L262-F551 HydrophobicContact CG-CD2 4.33Å; L262-F551 HydrophobicContact CG-CE2 4.33Å
263	D	71	Confident	68	Low	65 Å²	65	50 Å²	50	35%	0.348	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-47	179.7	-173	52	0	0	0	110.9	I259 V260 A261 R265 K266 K267	I259-D263 WeakPolarHBondContact O-CB 3.46Å; I259-D263 PolarHBondContact O-N 3.3Å; V260-D263 PolarHBondContact O-N 3.37Å; A261-D263 PolarHBondContact O-N 3.07Å; D263-R265 VanDerWaalsContact C-N 3.31Å; D263-R265 PolarHBondContact O-N 3.18Å; D263-K266 WeakPolarHBondContact O-CB 3.42Å; D263-K266 PolarHBondContact O-N 3.47Å; D263-K266 VanDerWaalsContact O-N 3.12Å; D263-K267 VanDerWaalsContact O-CG 3.23Å; D263-K267 WeakPolarHBondContact O-CG 3.47Å; D263-K267 PolarHBondContact O-N 2.85Å; D263-K267 WeakPolarHBondContact OD2-CE 3.26Å; D263-K267 IonicContact OD2-NZ 2.83Å; D263-K267 PolarHBondContact OD2-NZ 2.62Å
264	S	72.5	Confident	70.1	Confident	19 Å²	19	46 Å²	46	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-56.3	-44.8	175.8	-57.8	0	0	0	0	111.5	V260 K267 L268 V581	V260-S264 VanDerWaalsContact O-CB 3.23Å; V260-S264 WeakPolarHBondContact O-CB 3.48Å; V260-S264 PolarHBondContact O-N 2.92Å; V260-S264 PolarHBondContact O-OG 3.42Å; S264-K267 WeakPolarHBondContact O-CB 3.24Å; S264-K267 PolarHBondContact O-N 2.97Å; S264-L268 VanDerWaalsContact O-CG 3.3Å; S264-L268 WeakPolarHBondContact O-CG 3.32Å; S264-L268 PolarHBondContact O-N 2.66Å; S264-V581 WeakPolarHBondContact CB-O 3.29Å
265	R	78.2	Confident	71.8	Confident	21 Å²	21	40.7 Å²	40.7	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-45.2	175.2	-179.1	179.3	164.5	-164.7	0.3	112.8	A261 D263 K267 L268 Q269 I544 S547 G550 V581	A261-R265 WeakPolarHBondContact O-CB 3.28Å; A261-R265 PolarHBondContact O-N 3.22Å; D263-R265 VanDerWaalsContact C-N 3.31Å; D263-R265 PolarHBondContact O-N 3.18Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.04Å; R265-L268 PolarHBondContact O-N 3.21Å; R265-Q269 PolarHBondContact O-N 3.4Å; R265-I544 VanDerWaalsContact CZ-O 3.25Å; R265-I544 PolarHBondContact NE-O 3.4Å; R265-I544 PolarHBondContact NH2-O 2.75Å; R265-S547 VanDerWaalsContact NH2-C 3.31Å; R265-S547 PolarHBondContact NH2-O 3.21Å; R265-S547 PolarHBondContact NH2-OG 3.2Å; R265-G550 PolarHBondContact NH1-O 2.91Å; R265-V581 HydrophobicContact CB-CG1 4.38Å
266	K	78.3	Confident	73.6	Confident	156 Å²	156	43.1 Å²	43.1	68%	0.678	25%	0.251	S	S	*	.	H	α-helix	trans	-59.4	-41.8	175.8	-75.6	178	-179.5	-179.8	0	111.4	L262 D263 Q269 G270	L262-K266 WeakPolarHBondContact O-CG 3.46Å; L262-K266 PolarHBondContact O-N 2.77Å; D263-K266 WeakPolarHBondContact O-CB 3.42Å; D263-K266 PolarHBondContact O-N 3.47Å; D263-K266 VanDerWaalsContact O-N 3.12Å; K266-Q269 PolarHBondContact O-N 3.4Å; K266-G270 PolarHBondContact O-N 3.36Å
267	K	75.5	Confident	75.4	Confident	12 Å²	12	40.9 Å²	40.9	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-42	176.3	-64.6	174.1	167.4	159	0	111.6	E201 R205 D208 D263 S264 R265 G270 L271	E201-K267 WeakPolarHBondContact OE1-CA 3.18Å; E201-K267 WeakPolarHBondContact OE1-CB 3.5Å; E201-K267 WeakPolarHBondContact OE1-CG 3.39Å; R205-K267 HydrophobicContact CG-CD 4.07Å; R205-K267 VanDerWaalsContact NH2-C 3.25Å; R205-K267 PolarHBondContact NH2-O 3.05Å; D208-K267 IonicContact OD2-NZ 3.53Å; D208-K267 PolarHBondContact OD2-NZ 2.96Å; D263-K267 VanDerWaalsContact O-CG 3.23Å; D263-K267 WeakPolarHBondContact O-CG 3.47Å; D263-K267 PolarHBondContact O-N 2.85Å; D263-K267 WeakPolarHBondContact OD2-CE 3.26Å; D263-K267 IonicContact OD2-NZ 2.83Å; D263-K267 PolarHBondContact OD2-NZ 2.62Å; S264-K267 WeakPolarHBondContact O-CB 3.24Å; S264-K267 PolarHBondContact O-N 2.97Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.04Å; K267-G270 PolarHBondContact O-N 2.88Å; K267-L271 PolarHBondContact O-N 3.45Å
268	L	80.1	Confident	76.8	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-43	176.6	-69.6	173.6	0	0	0	112	S264 R265 L271 A272 Y280 D584 A587	S264-L268 VanDerWaalsContact O-CG 3.3Å; S264-L268 WeakPolarHBondContact O-CG 3.32Å; S264-L268 PolarHBondContact O-N 2.66Å; R265-L268 PolarHBondContact O-N 3.21Å; L268-L271 WeakPolarHBondContact O-CB 3.35Å; L268-L271 PolarHBondContact O-N 3.41Å; L268-A272 PolarHBondContact O-N 3.34Å; L268-Y280 HydrophobicContact CB-CD1 4.25Å; L268-Y280 HydrophobicContact CB-CD2 3.79Å; L268-Y280 HydrophobicContact CB-CE2 4.26Å; L268-Y280 HydrophobicContact CB-CG 3.79Å; L268-Y280 HydrophobicContact CD1-CD1 4.24Å; L268-Y280 HydrophobicContact CD1-CE1 4.24Å; L268-Y280 HydrophobicContact CD2-CD1 4.49Å; L268-Y280 HydrophobicContact CD2-CD2 4.07Å; L268-Y280 HydrophobicContact CD2-CE1 4.1Å; L268-Y280 HydrophobicContact CD2-CE2 3.62Å; L268-Y280 HydrophobicContact CD2-CG 4.48Å; L268-Y280 HydrophobicContact CG-CD2 4.45Å; L268-Y280 HydrophobicContact CG-CE2 4.45Å; L268-Y280 WeakPolarHBondContact O-CD2 3.39Å; L268-D584 HydrophobicContact CD2-CB 3.72Å; L268-A587 HydrophobicContact CD1-CB 3.67Å
269	Q	83.3	Confident	78	Confident	25 Å²	25	46.2 Å²	46.2	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-44.6	174.4	-176.3	61.3	25.1	0	0	111.8	R265 K266 L271 A272 T273 D278 N548	R265-Q269 PolarHBondContact O-N 3.4Å; K266-Q269 PolarHBondContact O-N 3.4Å; Q269-L271 PolarHBondContact O-N 3.38Å; Q269-A272 WeakPolarHBondContact O-CB 3.35Å; Q269-A272 PolarHBondContact O-N 2.82Å; Q269-A272 VanDerWaalsContact O-N 3.15Å; Q269-T273 PolarHBondContact O-N 3.23Å; Q269-T273 PolarHBondContact O-OG1 3.45Å; Q269-T273 VanDerWaalsContact O-OG1 3.09Å; Q269-D278 PolarHBondContact NE2-O 3.07Å; Q269-N548 VanDerWaalsContact CG-OD1 3.26Å; Q269-N548 WeakPolarHBondContact CG-OD1 3.39Å; Q269-N548 PolarHBondContact NE2-OD1 3.47Å; Q269-N548 PolarHBondContact OE1-OD1 3Å
270	G	79.9	Confident	79.1	Confident	30 Å²	30	42.5 Å²	42.5	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-35.7	176.4	0	0	0	0	0	112.8	K266 K267 T274	K266-G270 PolarHBondContact O-N 3.36Å; K267-G270 PolarHBondContact O-N 2.88Å; G270-T274 WeakPolarHBondContact O-CB 3.41Å; G270-T274 PolarHBondContact O-N 3.47Å; G270-T274 PolarHBondContact O-OG1 3.05Å
271	L	77.6	Confident	80.4	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.073	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-50.1	173.3	-175.1	69.5	0	0	0	111.8	R205 K267 L268 Q269 T273 T274 F275 Y280 M283	R205-L271 VanDerWaalsContact NH2-CB 3.25Å; K267-L271 PolarHBondContact O-N 3.45Å; L268-L271 WeakPolarHBondContact O-CB 3.35Å; L268-L271 PolarHBondContact O-N 3.41Å; Q269-L271 PolarHBondContact O-N 3.38Å; L271-T273 VanDerWaalsContact C-N 3.33Å; L271-T273 PolarHBondContact O-N 3.01Å; L271-T274 WeakPolarHBondContact O-CB 3.36Å; L271-T274 PolarHBondContact O-N 2.96Å; L271-T274 VanDerWaalsContact O-N 3.08Å; L271-F275 HydrophobicContact CD1-CD2 3.9Å; L271-F275 HydrophobicContact CD1-CE2 3.53Å; L271-F275 HydrophobicContact CG-CD2 4Å; L271-F275 HydrophobicContact CG-CE2 4.01Å; L271-F275 WeakPolarHBondContact O-CD2 3.33Å; L271-F275 PolarHBondContact O-N 2.84Å; L271-F275 VanDerWaalsContact O-N 3.1Å; L271-Y280 HydrophobicContact CD2-CE2 4.4Å; L271-M283 HydrophobicContact CD2-CE 4.02Å; L271-M283 HydrophobicContact CD2-SD 4.26Å; L271-M283 HydrophobicContact CG-CE 4.09Å; L271-M283 HydrophobicContact CG-SD 4.12Å
272	A	83.9	Confident	81.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-49	177.8	0	0	0	0	0	111.4	L268 Q269 T274 F275 G276 Y277 M283	L268-A272 PolarHBondContact O-N 3.34Å; Q269-A272 WeakPolarHBondContact O-CB 3.35Å; Q269-A272 PolarHBondContact O-N 2.82Å; Q269-A272 VanDerWaalsContact O-N 3.15Å; A272-T274 VanDerWaalsContact C-N 3.3Å; A272-T274 PolarHBondContact O-N 3.39Å; A272-F275 CarbonylContact O-C 3.58Å; A272-F275 PolarHBondContact O-N 3.25Å; A272-F275 VanDerWaalsContact O-N 3.15Å; A272-G276 PolarHBondContact O-N 2.83Å; A272-Y277 CarbonylContact C-O 3.55Å; A272-Y277 PolarHBondContact O-N 3.27Å; A272-M283 HydrophobicContact CB-CB 4.33Å; A272-M283 HydrophobicContact CB-SD 4.37Å
273	T	84.8	Confident	82.2	Confident	89 Å²	89	40.7 Å²	40.7	55%	0.546	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-40	176.4	-54.2	0	0	0	0	112.1	Q269 L271 F275 G276	Q269-T273 PolarHBondContact O-N 3.23Å; Q269-T273 PolarHBondContact O-OG1 3.45Å; Q269-T273 VanDerWaalsContact O-OG1 3.09Å; L271-T273 VanDerWaalsContact C-N 3.33Å; L271-T273 PolarHBondContact O-N 3.01Å; T273-F275 VanDerWaalsContact C-N 3.29Å; T273-F275 PolarHBondContact O-N 3.21Å; T273-G276 PolarHBondContact O-N 2.92Å; T273-G276 VanDerWaalsContact O-N 3.11Å
274	T	80	Confident	82.9	Confident	35 Å²	35	38 Å²	38	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-38.3	179.7	-61	0	0	0	0	111.8	M190 K194 G270 L271 A272 G276	M190-T274 HydrophobicContact CE-CG2 3.33Å; K194-T274 PolarHBondContact NZ-O 3.45Å; K194-T274 VanDerWaalsContact NZ-O 3.14Å; G270-T274 WeakPolarHBondContact O-CB 3.41Å; G270-T274 PolarHBondContact O-N 3.47Å; G270-T274 PolarHBondContact O-OG1 3.05Å; L271-T274 WeakPolarHBondContact O-CB 3.36Å; L271-T274 PolarHBondContact O-N 2.96Å; L271-T274 VanDerWaalsContact O-N 3.08Å; A272-T274 VanDerWaalsContact C-N 3.3Å; A272-T274 PolarHBondContact O-N 3.39Å; T274-G276 VanDerWaalsContact C-N 3.34Å
275	F	78.1	Confident	83.7	Confident	43 Å²	43	37.2 Å²	37.2	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-81.5	-7.9	176	-80.2	-75.3	0	0	0	114.4	K184 M190 W198 L271 A272 T273 Y277 M283	K184-F275 WeakPolarHBondContact O-CE1 3.41Å; M190-F275 HydrophobicContact CG-CE1 4.19Å; M190-F275 HydrophobicContact SD-CD1 4.16Å; M190-F275 HydrophobicContact SD-CE1 3.51Å; M190-F275 VanDerWaalsContact SD-CE1 3.51Å; M190-F275 HydrophobicContact SD-CE2 4.3Å; M190-F275 HydrophobicContact SD-CZ 3.58Å; M190-F275 VanDerWaalsContact SD-CZ 3.58Å; W198-F275 AromaticContact CD1-CE2 3.84Å; W198-F275 AromaticContact NE1-CE2 3.98Å; L271-F275 HydrophobicContact CD1-CD2 3.9Å; L271-F275 HydrophobicContact CD1-CE2 3.53Å; L271-F275 HydrophobicContact CG-CD2 4Å; L271-F275 HydrophobicContact CG-CE2 4.01Å; L271-F275 WeakPolarHBondContact O-CD2 3.33Å; L271-F275 PolarHBondContact O-N 2.84Å; L271-F275 VanDerWaalsContact O-N 3.1Å; A272-F275 CarbonylContact O-C 3.58Å; A272-F275 PolarHBondContact O-N 3.25Å; A272-F275 VanDerWaalsContact O-N 3.15Å; T273-F275 VanDerWaalsContact C-N 3.29Å; T273-F275 PolarHBondContact O-N 3.21Å; F275-Y277 HydrophobicContact CB-CD2 3.63Å; F275-Y277 HydrophobicContact CB-CE2 3.73Å; F275-M283 HydrophobicContact CD2-CE 3.41Å; F275-M283 VanDerWaalsContact CD2-CE 3.41Å; F275-M283 HydrophobicContact CD2-SD 4.03Å; F275-M283 HydrophobicContact CE2-CE 3.67Å; F275-M283 HydrophobicContact CG-CE 4.05Å; F275-M283 HydrophobicContact CZ-CE 4.47Å
276	G	83.5	Confident	84.1	Confident	64 Å²	64	38.7 Å²	38.7	66%	0.66	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	24.8	178.9	0	0	0	0	0	114.6	A272 T273 T274	A272-G276 PolarHBondContact O-N 2.83Å; T273-G276 PolarHBondContact O-N 2.92Å; T273-G276 VanDerWaalsContact O-N 3.11Å; T274-G276 VanDerWaalsContact C-N 3.34Å
277	Y	86.9	Confident	84.3	Confident	42 Å²	42	32.6 Å²	32.6	17%	0.165	20%	0.203	C	C	.	.			trans	-97.8	146.4	170.4	-62.6	-87.6	0	0	0	110.6	A272 F275 C279 M283 H286	A272-Y277 CarbonylContact C-O 3.55Å; A272-Y277 PolarHBondContact O-N 3.27Å; F275-Y277 HydrophobicContact CB-CD2 3.63Å; F275-Y277 HydrophobicContact CB-CE2 3.73Å; Y277-C279 VanDerWaalsContact C-N 3.35Å; Y277-C279 PolarHBondContact O-N 2.77Å; Y277-M283 HydrophobicContact CD1-CB 4.23Å; Y277-M283 HydrophobicContact CD2-CB 3.7Å; Y277-M283 HydrophobicContact CD2-CG 3.7Å; Y277-M283 HydrophobicContact CD2-SD 4.27Å; Y277-M283 HydrophobicContact CE2-CB 4.19Å; Y277-M283 HydrophobicContact CE2-CG 3.81Å; Y277-M283 HydrophobicContact CG-CB 3.73Å; Y277-M283 HydrophobicContact CG-CG 4.25Å; Y277-H286 HydrophobicContact CE1-CB 4.27Å; Y277-H286 AromaticContact CE1-CD2 3.98Å; Y277-H286 AromaticContact CZ-CD2 3.9Å; Y277-H286 PolarHBondContact OH-CD2 2.8Å
278	D	88.3	Confident	85	Confident	143 Å²	143	33.7 Å²	33.7	77%	0.765	21%	0.207	S	C	*	.	S	Bend	trans	-64.5	-38.9	-179	-60.9	-37.8	0	0	0	112.7	Q269	Q269-D278 PolarHBondContact NE2-O 3.07Å
279	C	89.1	Confident	85.5	Confident	14 Å²	14	33.5 Å²	33.5	10%	0.095	21%	0.206	C	C	.	.	S	Bend	trans	-147.9	164.7	-179.9	66.2	0	0	0	0	111.4	Y277 A281 S282 M283 H545	Y277-C279 VanDerWaalsContact C-N 3.35Å; Y277-C279 PolarHBondContact O-N 2.77Å; C279-A281 VanDerWaalsContact C-N 3.29Å; C279-A281 PolarHBondContact O-N 3.04Å; C279-S282 PolarHBondContact O-N 2.92Å; C279-M283 PolarHBondContact O-N 3.39Å; C279-H545 WeakPolarHBondContact CB-O 3.36Å
280	Y	86.9	Confident	85.8	Confident	18 Å²	18	32.3 Å²	32.3	7%	0.071	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-34.9	179.3	-172.4	-103.2	0	0	0	112.8	L268 L271 S282 M283 A284 H545 D584 A587 A588	L268-Y280 HydrophobicContact CB-CD1 4.25Å; L268-Y280 HydrophobicContact CB-CD2 3.79Å; L268-Y280 HydrophobicContact CB-CE2 4.26Å; L268-Y280 HydrophobicContact CB-CG 3.79Å; L268-Y280 HydrophobicContact CD1-CD1 4.24Å; L268-Y280 HydrophobicContact CD1-CE1 4.24Å; L268-Y280 HydrophobicContact CD2-CD1 4.49Å; L268-Y280 HydrophobicContact CD2-CD2 4.07Å; L268-Y280 HydrophobicContact CD2-CE1 4.1Å; L268-Y280 HydrophobicContact CD2-CE2 3.62Å; L268-Y280 HydrophobicContact CD2-CG 4.48Å; L268-Y280 HydrophobicContact CG-CD2 4.45Å; L268-Y280 HydrophobicContact CG-CE2 4.45Å; L268-Y280 WeakPolarHBondContact O-CD2 3.39Å; L271-Y280 HydrophobicContact CD2-CE2 4.4Å; Y280-S282 VanDerWaalsContact C-N 3.34Å; Y280-S282 PolarHBondContact O-N 3.31Å; Y280-M283 HydrophobicContact CD2-SD 4.38Å; Y280-M283 HydrophobicContact CE2-SD 4.32Å; Y280-M283 WeakPolarHBondContact O-CB 3.13Å; Y280-M283 PolarHBondContact O-N 2.79Å; Y280-M283 VanDerWaalsContact O-N 3.16Å; Y280-A284 HydrophobicContact CD1-CB 4.44Å; Y280-A284 HydrophobicContact CE1-CB 4.08Å; Y280-A284 WeakPolarHBondContact O-CB 3.25Å; Y280-A284 PolarHBondContact O-N 3.3Å; Y280-H545 HydrophobicContact CD1-CB 4.41Å; Y280-H545 AromaticContact CD1-ND1 3.99Å; Y280-H545 PolarHBondContact N-O 3.01Å; Y280-D584 PolarHBondContact OH-O 2.86Å; Y280-A587 HydrophobicContact CD1-CB 4.06Å; Y280-A587 HydrophobicContact CE1-CB 3.5Å; Y280-A588 HydrophobicContact CD1-CB 4.3Å
281	A	90.2	Very high	86.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-46.2	176	0	0	0	0	0	111.8	C279 M283 A284 L285 V293 L542 H545 K546 A588	C279-A281 VanDerWaalsContact C-N 3.29Å; C279-A281 PolarHBondContact O-N 3.04Å; A281-M283 VanDerWaalsContact C-N 3.33Å; A281-M283 PolarHBondContact O-N 3.48Å; A281-A284 PolarHBondContact O-N 3.03Å; A281-L285 WeakPolarHBondContact O-CB 3.41Å; A281-L285 WeakPolarHBondContact O-CD1 3.49Å; A281-L285 PolarHBondContact O-N 3.45Å; A281-V293 HydrophobicContact CB-CG2 3.99Å; A281-L542 HydrophobicContact CB-CD2 4.3Å; A281-H545 HydrophobicContact CB-CB 4.15Å; A281-H545 PolarHBondContact N-O 2.82Å; A281-K546 HydrophobicContact CB-CG 4.08Å; A281-A588 HydrophobicContact CB-CB 4.08Å
282	S	89.9	Confident	86.7	Confident	42 Å²	42	38.7 Å²	38.7	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-42.4	175.6	-179.9	0	0	0	0	112.2	C279 Y280 H286	C279-S282 PolarHBondContact O-N 2.92Å; Y280-S282 VanDerWaalsContact C-N 3.34Å; Y280-S282 PolarHBondContact O-N 3.31Å; S282-H286 PolarHBondContact O-N 3.01Å
283	M	87.5	Confident	87.1	Confident	17 Å²	17	39.4 Å²	39.4	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-43.7	174.8	-176.2	-180	175.7	0	0	112.4	L271 A272 F275 Y277 C279 Y280 A281 L285 H286	L271-M283 HydrophobicContact CD2-CE 4.02Å; L271-M283 HydrophobicContact CD2-SD 4.26Å; L271-M283 HydrophobicContact CG-CE 4.09Å; L271-M283 HydrophobicContact CG-SD 4.12Å; A272-M283 HydrophobicContact CB-CB 4.33Å; A272-M283 HydrophobicContact CB-SD 4.37Å; F275-M283 HydrophobicContact CD2-CE 3.41Å; F275-M283 VanDerWaalsContact CD2-CE 3.41Å; F275-M283 HydrophobicContact CD2-SD 4.03Å; F275-M283 HydrophobicContact CE2-CE 3.67Å; F275-M283 HydrophobicContact CG-CE 4.05Å; F275-M283 HydrophobicContact CZ-CE 4.47Å; Y277-M283 HydrophobicContact CD1-CB 4.23Å; Y277-M283 HydrophobicContact CD2-CB 3.7Å; Y277-M283 HydrophobicContact CD2-CG 3.7Å; Y277-M283 HydrophobicContact CD2-SD 4.27Å; Y277-M283 HydrophobicContact CE2-CB 4.19Å; Y277-M283 HydrophobicContact CE2-CG 3.81Å; Y277-M283 HydrophobicContact CG-CB 3.73Å; Y277-M283 HydrophobicContact CG-CG 4.25Å; C279-M283 PolarHBondContact O-N 3.39Å; Y280-M283 HydrophobicContact CD2-SD 4.38Å; Y280-M283 HydrophobicContact CE2-SD 4.32Å; Y280-M283 WeakPolarHBondContact O-CB 3.13Å; Y280-M283 PolarHBondContact O-N 2.79Å; Y280-M283 VanDerWaalsContact O-N 3.16Å; A281-M283 VanDerWaalsContact C-N 3.33Å; A281-M283 PolarHBondContact O-N 3.48Å; M283-L285 VanDerWaalsContact C-N 3.29Å; M283-L285 PolarHBondContact O-N 2.87Å; M283-H286 WeakPolarHBondContact O-CB 3.32Å; M283-H286 PolarHBondContact O-N 3.28Å
284	A	85.8	Confident	87.4	Confident	9 Å²	9	39.9 Å²	39.9	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-31	-177.5	0	0	0	0	0	113	Y280 A281 H286 R288 A588	Y280-A284 HydrophobicContact CD1-CB 4.44Å; Y280-A284 HydrophobicContact CE1-CB 4.08Å; Y280-A284 WeakPolarHBondContact O-CB 3.25Å; Y280-A284 PolarHBondContact O-N 3.3Å; A281-A284 PolarHBondContact O-N 3.03Å; A284-H286 VanDerWaalsContact C-N 3.33Å; A284-R288 PolarHBondContact O-NE 3.41Å; A284-R288 PolarHBondContact O-NH2 2.81Å; A284-A588 HydrophobicContact CB-CB 3.85Å
285	L	89.9	Confident	87.9	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-78.2	-10.9	176	-87.6	141.5	0	0	0	114.1	A281 M283 G287 R288 A290 V293 V296 L542 Y591	A281-L285 WeakPolarHBondContact O-CB 3.41Å; A281-L285 WeakPolarHBondContact O-CD1 3.49Å; A281-L285 PolarHBondContact O-N 3.45Å; M283-L285 VanDerWaalsContact C-N 3.29Å; M283-L285 PolarHBondContact O-N 2.87Å; L285-G287 PolarHBondContact O-N 2.81Å; L285-R288 HydrophobicContact CD2-CB 4.43Å; L285-R288 VanDerWaalsContact O-CB 3.28Å; L285-R288 WeakPolarHBondContact O-CB 3.48Å; L285-R288 WeakPolarHBondContact O-CG 3.42Å; L285-R288 PolarHBondContact O-N 2.8Å; L285-A290 HydrophobicContact CD2-CB 3.72Å; L285-V293 HydrophobicContact CD1-CB 4.21Å; L285-V293 HydrophobicContact CD1-CG2 3.54Å; L285-V296 HydrophobicContact CD1-CG2 4.47Å; L285-V296 HydrophobicContact CD2-CG2 3.72Å; L285-L542 HydrophobicContact CD1-CD2 4.4Å; L285-Y591 HydrophobicContact CD2-CE1 4.3Å; L285-Y591 VanDerWaalsContact CD2-OH 3.24Å; L285-Y591 WeakPolarHBondContact CD2-OH 3.33Å; L285-Y591 HydrophobicContact CG-CE1 4.43Å
286	H	86.7	Confident	88.6	Confident	53 Å²	53	36.9 Å²	36.9	25%	0.245	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	123	177.6	-174	-73.1	0	0	0	111.4	Y277 S282 M283 A284 R288	Y277-H286 HydrophobicContact CE1-CB 4.27Å; Y277-H286 AromaticContact CE1-CD2 3.98Å; Y277-H286 AromaticContact CZ-CD2 3.9Å; Y277-H286 PolarHBondContact OH-CD2 2.8Å; S282-H286 PolarHBondContact O-N 3.01Å; M283-H286 WeakPolarHBondContact O-CB 3.32Å; M283-H286 PolarHBondContact O-N 3.28Å; A284-H286 VanDerWaalsContact C-N 3.33Å; H286-R288 PolarHBondContact O-NH1 3.03Å
287	G	83.3	Confident	89.1	Confident	27 Å²	27	36.1 Å²	36.1	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	24.9	-176.9	0	0	0	0	0	113.7	L285 E477	L285-G287 PolarHBondContact O-N 2.81Å; G287-E477 VanDerWaalsContact O-CG 3.25Å; G287-E477 WeakPolarHBondContact O-CG 3.46Å
288	R	89.1	Confident	89.2	Confident	35 Å²	35	36.3 Å²	36.3	13%	0.132	20%	0.195	C	C	.	.	S	Bend	trans	-97.5	158.4	169	-59.8	-59.9	172.1	-92.9	-15.7	110.8	A284 L285 H286 A290 K291 D479	A284-R288 PolarHBondContact O-NE 3.41Å; A284-R288 PolarHBondContact O-NH2 2.81Å; L285-R288 HydrophobicContact CD2-CB 4.43Å; L285-R288 VanDerWaalsContact O-CB 3.28Å; L285-R288 WeakPolarHBondContact O-CB 3.48Å; L285-R288 WeakPolarHBondContact O-CG 3.42Å; L285-R288 PolarHBondContact O-N 2.8Å; H286-R288 PolarHBondContact O-NH1 3.03Å; R288-A290 PolarHBondContact O-N 3.19Å; R288-K291 PolarHBondContact O-N 3Å; R288-D479 WeakPolarHBondContact CB-OD1 3.35Å; R288-D479 WeakPolarHBondContact CD-OD1 3.47Å
289	M	91.7	Very high	89.5	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.6	172	-177.2	-178.1	177.3	0	0	111	K291 D479 C480 V599 Q646 S647 F650	M289-K291 PolarHBondContact O-N 2.91Å; M289-K291 VanDerWaalsContact O-N 3.15Å; M289-D479 WeakPolarHBondContact CA-OD2 3.04Å; M289-D479 WeakPolarHBondContact CB-OD2 3.2Å; M289-D479 PolarHBondContact N-OD1 3.36Å; M289-D479 VanDerWaalsContact N-OD1 3.11Å; M289-D479 PolarHBondContact N-OD2 3.22Å; M289-C480 WeakPolarHBondContact CB-SG 3.46Å; M289-C480 PolarHBondContact SD-SG 3.41Å; M289-V599 HydrophobicContact CE-CG2 4.03Å; M289-V599 HydrophobicContact SD-CG2 3.88Å; M289-Q646 HydrophobicContact CB-CB 4.34Å; M289-Q646 HydrophobicContact CG-CB 4.39Å; M289-Q646 HydrophobicContact SD-CB 4.05Å; M289-S647 WeakPolarHBondContact CG-OG 3.32Å; M289-F650 HydrophobicContact CE-CB 3.73Å; M289-F650 HydrophobicContact CE-CD1 4.21Å; M289-F650 HydrophobicContact CE-CD2 4.31Å; M289-F650 HydrophobicContact CE-CG 3.83Å
290	A	89.8	Confident	89.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-1	178.6	0	0	0	0	0	115.3	L285 R288 S292 D295 V296 D479 Y591 W595	L285-A290 HydrophobicContact CD2-CB 3.72Å; R288-A290 PolarHBondContact O-N 3.19Å; A290-S292 PolarHBondContact O-N 3.31Å; A290-S292 VanDerWaalsContact O-O 3.09Å; A290-D295 WeakPolarHBondContact O-CB 3.37Å; A290-V296 HydrophobicContact CB-CG2 3.65Å; A290-D479 WeakPolarHBondContact CB-OD2 3.34Å; A290-D479 PolarHBondContact N-OD2 3.23Å; A290-Y591 HydrophobicContact CB-CE2 3.84Å; A290-W595 VanDerWaalsContact CA-CZ2 3.48Å; A290-W595 HydrophobicContact CB-CD2 3.88Å; A290-W595 HydrophobicContact CB-CE3 3.92Å; A290-W595 HydrophobicContact CB-CH2 3.75Å; A290-W595 HydrophobicContact CB-CZ2 3.69Å; A290-W595 HydrophobicContact CB-CZ3 3.87Å
291	K	85.7	Confident	90.2	Very high	140 Å²	140	31.2 Å²	31.2	61%	0.609	17%	0.17	S	C	*	.			trans	48.2	-47.7	172	-66.1	-173.8	-176.2	-178.7	0	119.5	R288 M289	R288-K291 PolarHBondContact O-N 3Å; M289-K291 PolarHBondContact O-N 2.91Å; M289-K291 VanDerWaalsContact O-N 3.15Å
292	S	90.7	Very high	90.2	Very high	38 Å²	38	32.4 Å²	32.4	27%	0.266	18%	0.178	S	C	.	.	S	Bend	trans	-137.3	164.7	-177.3	73	0	0	0	0	112	A290 D294 D295	A290-S292 PolarHBondContact O-N 3.31Å; A290-S292 VanDerWaalsContact O-O 3.09Å; S292-D294 VanDerWaalsContact C-N 3.3Å; S292-D295 PolarHBondContact N-OD2 3.05Å; S292-D295 PolarHBondContact OG-N 2.92Å; S292-D295 PolarHBondContact OG-OD2 3.31Å
293	V	90.7	Very high	90.3	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-38.6	172.9	175.6	0	0	0	0	110.8	A281 L285 D295 V296 E297 K546	A281-V293 HydrophobicContact CB-CG2 3.99Å; L285-V293 HydrophobicContact CD1-CB 4.21Å; L285-V293 HydrophobicContact CD1-CG2 3.54Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 3.14Å; V293-V296 PolarHBondContact O-N 3.43Å; V293-V296 VanDerWaalsContact O-N 3.13Å; V293-E297 HydrophobicContact CG1-CG 4.29Å; V293-E297 PolarHBondContact O-N 3.34Å; V293-K546 HydrophobicContact CG1-CD 3.52Å; V293-K546 HydrophobicContact CG1-CG 4.02Å
294	D	90.9	Very high	90.7	Very high	99 Å²	99	31.2 Å²	31.2	53%	0.529	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-39.4	-177.8	-61.1	-18.2	0	0	0	111.7	S292 V296 E297 N298	S292-D294 VanDerWaalsContact C-N 3.3Å; D294-V296 VanDerWaalsContact C-N 3.27Å; D294-V296 PolarHBondContact O-N 3.49Å; D294-E297 PolarHBondContact O-N 2.85Å; D294-N298 WeakPolarHBondContact O-CB 3.46Å; D294-N298 PolarHBondContact O-N 3.28Å; D294-N298 PolarHBondContact O-ND2 3.33Å
295	D	90.5	Very high	90.8	Very high	15 Å²	15	32.4 Å²	32.4	8%	0.08	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-41.7	175.6	-70.1	-48.8	0	0	0	111.8	A290 S292 V293 M299 W595 L776	A290-D295 WeakPolarHBondContact O-CB 3.37Å; S292-D295 PolarHBondContact N-OD2 3.05Å; S292-D295 PolarHBondContact OG-N 2.92Å; S292-D295 PolarHBondContact OG-OD2 3.31Å; V293-D295 VanDerWaalsContact C-N 3.32Å; V293-D295 PolarHBondContact O-N 3.14Å; D295-M299 PolarHBondContact O-N 2.91Å; D295-W595 HydrophobicContact CB-CH2 4.07Å; D295-W595 HydrophobicContact CB-CZ3 4.39Å; D295-L776 VanDerWaalsContact OD1-CD1 3.23Å; D295-L776 WeakPolarHBondContact OD1-CD1 3.43Å
296	V	93.1	Very high	90.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-72.7	-41	178.6	-170.6	0	0	0	0	111.4	L285 A290 V293 D294 N298 M299 I300 L542 Y591 W595	L285-V296 HydrophobicContact CD1-CG2 4.47Å; L285-V296 HydrophobicContact CD2-CG2 3.72Å; A290-V296 HydrophobicContact CB-CG2 3.65Å; V293-V296 PolarHBondContact O-N 3.43Å; V293-V296 VanDerWaalsContact O-N 3.13Å; D294-V296 VanDerWaalsContact C-N 3.27Å; D294-V296 PolarHBondContact O-N 3.49Å; V296-N298 VanDerWaalsContact C-N 3.32Å; V296-N298 PolarHBondContact O-N 2.96Å; V296-M299 HydrophobicContact CG1-CE 4.21Å; V296-M299 WeakPolarHBondContact O-CB 3.38Å; V296-M299 PolarHBondContact O-N 3.3Å; V296-I300 HydrophobicContact CG1-CD1 3.92Å; V296-I300 HydrophobicContact CG1-CG1 4.45Å; V296-I300 WeakPolarHBondContact O-CG1 3.36Å; V296-I300 PolarHBondContact O-N 2.94Å; V296-L542 HydrophobicContact CB-CD1 3.94Å; V296-L542 HydrophobicContact CG1-CD1 3.53Å; V296-Y591 HydrophobicContact CB-CD2 4.34Å; V296-Y591 HydrophobicContact CB-CG 4.46Å; V296-Y591 VanDerWaalsContact CG1-CB 3.46Å; V296-Y591 HydrophobicContact CG1-CD1 3.97Å; V296-Y591 HydrophobicContact CG1-CD2 3.48Å; V296-Y591 VanDerWaalsContact CG1-CD2 3.48Å; V296-Y591 HydrophobicContact CG1-CE2 4.23Å; V296-Y591 HydrophobicContact CG1-CG 3.36Å; V296-Y591 HydrophobicContact CG2-CD1 4.4Å; V296-Y591 HydrophobicContact CG2-CD2 3.8Å; V296-Y591 HydrophobicContact CG2-CE1 4.25Å; V296-Y591 HydrophobicContact CG2-CE2 3.67Å; V296-Y591 HydrophobicContact CG2-CG 4.19Å; V296-W595 HydrophobicContact CG2-CE3 4.44Å; V296-W595 HydrophobicContact CG2-CZ3 4.39Å
297	E	93.6	Very high	90.9	Very high	48 Å²	48	30.9 Å²	30.9	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177	-73.5	-176.9	143.2	0	0	111.4	V293 D294 M299 I300 V301 L542 K546	V293-E297 HydrophobicContact CG1-CG 4.29Å; V293-E297 PolarHBondContact O-N 3.34Å; D294-E297 PolarHBondContact O-N 2.85Å; E297-M299 PolarHBondContact O-N 3.4Å; E297-I300 PolarHBondContact O-N 2.96Å; E297-I300 VanDerWaalsContact O-N 3.15Å; E297-V301 VanDerWaalsContact O-CG2 3.29Å; E297-V301 WeakPolarHBondContact O-CG2 3.42Å; E297-V301 PolarHBondContact O-N 3.33Å; E297-L542 HydrophobicContact CG-CD1 4.32Å; E297-K546 WeakPolarHBondContact OE1-CD 3.19Å; E297-K546 IonicContact OE1-NZ 3.33Å; E297-K546 PolarHBondContact OE1-NZ 3.22Å; E297-K546 IonicContact OE2-NZ 2.68Å; E297-K546 PolarHBondContact OE2-NZ 3.35Å
298	N	90.8	Very high	91.3	Very high	47 Å²	47	31.3 Å²	31.3	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-61.4	-44.3	175.2	-66.6	-25.9	0	0	0	112	D294 V296 I300 V301 S302 L772	D294-N298 WeakPolarHBondContact O-CB 3.46Å; D294-N298 PolarHBondContact O-N 3.28Å; D294-N298 PolarHBondContact O-ND2 3.33Å; V296-N298 VanDerWaalsContact C-N 3.32Å; V296-N298 PolarHBondContact O-N 2.96Å; N298-I300 VanDerWaalsContact C-N 3.34Å; N298-I300 PolarHBondContact O-N 2.8Å; N298-V301 PolarHBondContact O-N 3.36Å; N298-S302 PolarHBondContact O-N 2.75Å; N298-S302 PolarHBondContact O-OG 3.24Å; N298-L772 WeakPolarHBondContact ND2-CD2 3.47Å; N298-L772 WeakPolarHBondContact OD1-CD2 3.24Å
299	M	93.7	Very high	91.4	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-46.7	172.9	-178.6	-166.8	67.1	0	0	110.9	D295 V296 E297 S302 L303 L594 W595 V598 V661	D295-M299 PolarHBondContact O-N 2.91Å; V296-M299 HydrophobicContact CG1-CE 4.21Å; V296-M299 WeakPolarHBondContact O-CB 3.38Å; V296-M299 PolarHBondContact O-N 3.3Å; E297-M299 PolarHBondContact O-N 3.4Å; M299-S302 PolarHBondContact O-N 3.11Å; M299-L303 HydrophobicContact CG-CD1 3.93Å; M299-L303 HydrophobicContact CG-CG 4.35Å; M299-L303 WeakPolarHBondContact O-CB 3.37Å; M299-L303 WeakPolarHBondContact O-CG 3.29Å; M299-L303 PolarHBondContact O-N 3.46Å; M299-L303 HydrophobicContact SD-CD1 4.47Å; M299-L594 HydrophobicContact CE-CB 3.94Å; M299-W595 HydrophobicContact CB-CE3 4.39Å; M299-W595 HydrophobicContact CB-CZ3 4.18Å; M299-W595 HydrophobicContact CE-CB 4.34Å; M299-W595 HydrophobicContact CE-CE3 3.91Å; M299-W595 HydrophobicContact SD-CB 4.16Å; M299-W595 HydrophobicContact SD-CD2 4.2Å; M299-W595 HydrophobicContact SD-CE3 3.49Å; M299-W595 HydrophobicContact SD-CZ3 4.19Å; M299-V598 HydrophobicContact CG-CG2 4.2Å; M299-V598 HydrophobicContact SD-CB 4.27Å; M299-V598 HydrophobicContact SD-CG2 3.9Å; M299-V661 HydrophobicContact CB-CG1 4.47Å; M299-V661 HydrophobicContact CG-CG1 3.89Å
300	I	96.2	Very high	91.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-46.1	-178.9	-74.5	167.5	0	0	0	111.5	V296 E297 N298 L303 K304 I535 D539 L542	V296-I300 HydrophobicContact CG1-CD1 3.92Å; V296-I300 HydrophobicContact CG1-CG1 4.45Å; V296-I300 WeakPolarHBondContact O-CG1 3.36Å; V296-I300 PolarHBondContact O-N 2.94Å; E297-I300 PolarHBondContact O-N 2.96Å; E297-I300 VanDerWaalsContact O-N 3.15Å; N298-I300 VanDerWaalsContact C-N 3.34Å; N298-I300 PolarHBondContact O-N 2.8Å; I300-L303 PolarHBondContact O-N 3.23Å; I300-K304 VanDerWaalsContact O-CB 3.24Å; I300-K304 WeakPolarHBondContact O-CB 3.44Å; I300-K304 PolarHBondContact O-N 3.03Å; I300-I535 HydrophobicContact CG2-CG2 4.04Å; I300-D539 HydrophobicContact CD1-CB 4.47Å; I300-D539 HydrophobicContact CG2-CB 3.75Å; I300-L542 HydrophobicContact CD1-CD1 3.56Å
301	V	94.1	Very high	91.5	Very high	55 Å²	55	37.6 Å²	37.6	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-49.7	179.5	175.9	0	0	0	0	110	E297 N298 L303 K304 D305 D769	E297-V301 VanDerWaalsContact O-CG2 3.29Å; E297-V301 WeakPolarHBondContact O-CG2 3.42Å; E297-V301 PolarHBondContact O-N 3.33Å; N298-V301 PolarHBondContact O-N 3.36Å; V301-L303 VanDerWaalsContact C-N 3.3Å; V301-L303 PolarHBondContact O-N 2.97Å; V301-K304 WeakPolarHBondContact O-CB 3.34Å; V301-K304 PolarHBondContact O-N 3.35Å; V301-K304 VanDerWaalsContact O-N 3.07Å; V301-D305 WeakPolarHBondContact O-CB 3.4Å; V301-D305 PolarHBondContact O-N 2.82Å; V301-D769 WeakPolarHBondContact CG1-OD1 3.38Å
302	S	90	Very high	91.8	Very high	25 Å²	25	32.8 Å²	32.8	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-29.8	-179.3	-56.4	0	0	0	0	114.3	N298 M299 A306 D769	N298-S302 PolarHBondContact O-N 2.75Å; N298-S302 PolarHBondContact O-OG 3.24Å; M299-S302 PolarHBondContact O-N 3.11Å; S302-A306 WeakPolarHBondContact O-CB 3.32Å; S302-A306 PolarHBondContact O-N 3.23Å; S302-D769 WeakPolarHBondContact CA-OD1 3.49Å; S302-D769 WeakPolarHBondContact CA-OD2 3.15Å; S302-D769 WeakPolarHBondContact CB-OD1 3.37Å; S302-D769 PolarHBondContact N-OD1 3.04Å; S302-D769 PolarHBondContact OG-OD1 2.99Å
303	L	92.8	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.7	-44.7	170.3	-68.3	-180	0	0	0	111.6	M299 I300 V301 A306 V307 I535 V598 V661 M664 L665	M299-L303 HydrophobicContact CG-CD1 3.93Å; M299-L303 HydrophobicContact CG-CG 4.35Å; M299-L303 WeakPolarHBondContact O-CB 3.37Å; M299-L303 WeakPolarHBondContact O-CG 3.29Å; M299-L303 PolarHBondContact O-N 3.46Å; M299-L303 HydrophobicContact SD-CD1 4.47Å; I300-L303 PolarHBondContact O-N 3.23Å; V301-L303 VanDerWaalsContact C-N 3.3Å; V301-L303 PolarHBondContact O-N 2.97Å; L303-A306 PolarHBondContact O-N 3.12Å; L303-V307 WeakPolarHBondContact O-CG1 3.48Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.45Å; L303-V307 PolarHBondContact O-N 3.1Å; L303-I535 HydrophobicContact CB-CD1 3.8Å; L303-I535 HydrophobicContact CB-CG1 4.2Å; L303-I535 HydrophobicContact CD1-CG1 4.44Å; L303-V598 HydrophobicContact CD1-CG2 4.29Å; L303-V661 HydrophobicContact CD2-CB 3.98Å; L303-V661 HydrophobicContact CD2-CG1 4.13Å; L303-V661 HydrophobicContact CG-CG1 4.27Å; L303-M664 HydrophobicContact CD1-CE 3.65Å; L303-M664 HydrophobicContact CD2-CE 3.18Å; L303-M664 HydrophobicContact CG-CE 4.01Å; L303-L665 HydrophobicContact CD2-CD2 3.93Å; L303-L665 HydrophobicContact CD2-CG 4.4Å
304	K	95	Very high	92	Very high	34 Å²	34	36.2 Å²	36.2	15%	0.148	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-50.9	-179.8	179.4	-170	-176.9	-177	0	111.3	I300 V301 A306 V307 S308 I535 E562 Y563	I300-K304 VanDerWaalsContact O-CB 3.24Å; I300-K304 WeakPolarHBondContact O-CB 3.44Å; I300-K304 PolarHBondContact O-N 3.03Å; V301-K304 WeakPolarHBondContact O-CB 3.34Å; V301-K304 PolarHBondContact O-N 3.35Å; V301-K304 VanDerWaalsContact O-N 3.07Å; K304-A306 VanDerWaalsContact C-N 3.28Å; K304-A306 PolarHBondContact O-N 3.5Å; K304-V307 WeakPolarHBondContact O-CG2 3.41Å; K304-V307 PolarHBondContact O-N 2.95Å; K304-S308 VanDerWaalsContact O-CB 3.25Å; K304-S308 WeakPolarHBondContact O-CB 3.22Å; K304-S308 PolarHBondContact O-N 2.79Å; K304-S308 PolarHBondContact O-OG 3.42Å; K304-I535 HydrophobicContact CB-CG2 4.36Å; K304-E562 IonicContact NZ-OE2 2.74Å; K304-E562 PolarHBondContact NZ-OE2 3.23Å; K304-Y563 HydrophobicContact CB-CE1 4.12Å; K304-Y563 HydrophobicContact CD-CE1 3.9Å; K304-Y563 HydrophobicContact CD-CE2 4.3Å; K304-Y563 HydrophobicContact CG-CD1 4.32Å; K304-Y563 HydrophobicContact CG-CE1 3.67Å
305	D	89.6	Confident	92.1	Very high	33 Å²	33	32 Å²	32	18%	0.176	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-36.2	-176	-73.9	-0.1	0	0	0	110.8	V301 P309 S748 D769	V301-D305 WeakPolarHBondContact O-CB 3.4Å; V301-D305 PolarHBondContact O-N 2.82Å; D305-P309 WeakPolarHBondContact O-CD 3.4Å; D305-S748 WeakPolarHBondContact OD2-CB 3.39Å; D305-D769 WeakPolarHBondContact CB-OD2 3.36Å
306	A	86.8	Confident	92.2	Very high	24 Å²	24	38 Å²	38	20%	0.198	21%	0.209	C	C	.	.	H	α-helix	trans	-71.3	-40.8	173.8	0	0	0	0	0	113.9	S302 L303 K304 L665	S302-A306 WeakPolarHBondContact O-CB 3.32Å; S302-A306 PolarHBondContact O-N 3.23Å; L303-A306 PolarHBondContact O-N 3.12Å; K304-A306 VanDerWaalsContact C-N 3.28Å; K304-A306 PolarHBondContact O-N 3.5Å; A306-L665 HydrophobicContact CB-CD1 3.66Å; A306-L665 HydrophobicContact CB-CD2 3.64Å; A306-L665 HydrophobicContact CB-CG 4.3Å
307	V	91.1	Very high	92.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-82.3	-29	-176.4	-60.3	0	0	0	0	113.5	L303 K304 K310 F311 L528 L531 V532 I535 L670	L303-V307 WeakPolarHBondContact O-CG1 3.48Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.45Å; L303-V307 PolarHBondContact O-N 3.1Å; K304-V307 WeakPolarHBondContact O-CG2 3.41Å; K304-V307 PolarHBondContact O-N 2.95Å; V307-K310 PolarHBondContact O-N 3.31Å; V307-F311 WeakPolarHBondContact O-CB 3.2Å; V307-F311 PolarHBondContact O-N 3.34Å; V307-L528 HydrophobicContact CB-CD1 4.24Å; V307-L528 HydrophobicContact CG1-CD1 4.31Å; V307-L531 HydrophobicContact CG1-CD2 3.86Å; V307-L531 HydrophobicContact CG1-CG 4.42Å; V307-V532 HydrophobicContact CB-CG2 4.21Å; V307-V532 HydrophobicContact CG2-CG2 3.88Å; V307-I535 HydrophobicContact CG1-CD1 4.08Å; V307-I535 HydrophobicContact CG2-CD1 3.78Å; V307-L670 HydrophobicContact CG1-CD1 3.76Å
308	S	92.2	Very high	92	Very high	36 Å²	36	36.6 Å²	36.6	25%	0.252	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-47.7	-169.7	-63	0	0	0	0	113	K304 K310 F311 A312	K304-S308 VanDerWaalsContact O-CB 3.25Å; K304-S308 WeakPolarHBondContact O-CB 3.22Å; K304-S308 PolarHBondContact O-N 2.79Å; K304-S308 PolarHBondContact O-OG 3.42Å; S308-K310 VanDerWaalsContact C-N 3.33Å; S308-K310 PolarHBondContact O-N 3.48Å; S308-F311 PolarHBondContact O-N 2.85Å; S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 3.1Å
309	P	90	Very high	92.1	Very high	84 Å²	84	36 Å²	36	55%	0.545	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-40.5	176.6	-21.9	33.5	0	0	0	112.3	D305 A312 D313	D305-P309 WeakPolarHBondContact O-CD 3.4Å; P309-A312 PolarHBondContact O-N 3.09Å; P309-D313 WeakPolarHBondContact O-CB 3.36Å; P309-D313 PolarHBondContact O-N 3.17Å
310	K	90.3	Very high	91.9	Very high	82 Å²	82	40.6 Å²	40.6	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-39.9	178.5	-63.8	-65.7	-178.6	-174.7	0	111.9	V307 S308 Q314 L528 L670	V307-K310 PolarHBondContact O-N 3.31Å; S308-K310 VanDerWaalsContact C-N 3.33Å; S308-K310 PolarHBondContact O-N 3.48Å; K310-Q314 WeakPolarHBondContact O-CB 3.27Å; K310-Q314 PolarHBondContact O-N 2.79Å; K310-L528 HydrophobicContact CB-CD2 4.09Å; K310-L670 HydrophobicContact CB-CD2 4.45Å; K310-L670 WeakPolarHBondContact CE-O 3.41Å; K310-L670 HydrophobicContact CG-CD2 4.35Å
311	F	93.9	Very high	91.4	Very high	2 Å²	2	41 Å²	41	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-73.4	-35.6	178.6	-176.4	-120.6	0	0	0	112.1	V307 S308 Q314 C315 M318 V337 L528 P529 V532 F564 F566	V307-F311 WeakPolarHBondContact O-CB 3.2Å; V307-F311 PolarHBondContact O-N 3.34Å; S308-F311 PolarHBondContact O-N 2.85Å; F311-Q314 PolarHBondContact O-N 3.2Å; F311-C315 WeakPolarHBondContact O-CB 2.9Å; F311-C315 PolarHBondContact O-N 3.39Å; F311-C315 PolarHBondContact O-SG 2.89Å; F311-M318 HydrophobicContact CE2-CE 4.36Å; F311-V337 HydrophobicContact CE2-CG1 4.47Å; F311-L528 HydrophobicContact CB-CD2 4.36Å; F311-L528 HydrophobicContact CB-CG 4.46Å; F311-L528 HydrophobicContact CD2-CG 4.29Å; F311-P529 HydrophobicContact CE2-CB 3.83Å; F311-P529 HydrophobicContact CE2-CG 3.97Å; F311-P529 HydrophobicContact CZ-CB 4.46Å; F311-V532 HydrophobicContact CB-CG2 3.84Å; F311-V532 HydrophobicContact CD1-CB 4.38Å; F311-V532 HydrophobicContact CD1-CG1 3.94Å; F311-V532 HydrophobicContact CD1-CG2 4Å; F311-V532 HydrophobicContact CD2-CG2 4.08Å; F311-V532 HydrophobicContact CE1-CG1 4.02Å; F311-V532 HydrophobicContact CG-CB 4.46Å; F311-V532 HydrophobicContact CG-CG1 4.48Å; F311-V532 HydrophobicContact CG-CG2 3.7Å; F311-F564 HydrophobicContact CE1-CD1 4Å; F311-F564 HydrophobicContact CZ-CD1 4.39Å; F311-F566 HydrophobicContact CE1-CE1 4.48Å; F311-F566 HydrophobicContact CZ-CE1 4.17Å
312	A	92.1	Very high	91.1	Very high	38 Å²	38	38.4 Å²	38.4	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-44.1	172.6	0	0	0	0	0	111.7	S308 P309 C315 K316 P565	S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 3.1Å; P309-A312 PolarHBondContact O-N 3.09Å; A312-C315 WeakPolarHBondContact O-CB 3.25Å; A312-C315 PolarHBondContact O-N 2.8Å; A312-K316 PolarHBondContact O-N 3.14Å; A312-K316 VanDerWaalsContact O-N 3.16Å; A312-P565 HydrophobicContact CB-CG 4.48Å
313	D	91.5	Very high	91	Very high	110 Å²	110	39.1 Å²	39.1	59%	0.588	23%	0.225	S	C	*	.	H	α-helix	trans	-61.9	-45.5	172.8	-175.5	59.4	0	0	0	111.7	P309 C315 K316 G317	P309-D313 WeakPolarHBondContact O-CB 3.36Å; P309-D313 PolarHBondContact O-N 3.17Å; D313-C315 VanDerWaalsContact C-N 3.3Å; D313-C315 PolarHBondContact O-N 3.39Å; D313-K316 WeakPolarHBondContact O-CB 3.32Å; D313-K316 PolarHBondContact O-N 3.4Å; D313-K316 VanDerWaalsContact O-N 3.14Å; D313-G317 PolarHBondContact O-N 3.4Å; D313-G317 VanDerWaalsContact O-N 3.07Å
314	Q	93.4	Very high	90.5	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.075	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-39.9	175	-169.6	-179.5	56.8	0	0	112	K310 F311 K316 G317 M318 L344 A525 L528	K310-Q314 WeakPolarHBondContact O-CB 3.27Å; K310-Q314 PolarHBondContact O-N 2.79Å; F311-Q314 PolarHBondContact O-N 3.2Å; Q314-K316 VanDerWaalsContact C-N 3.32Å; Q314-K316 PolarHBondContact O-N 2.97Å; Q314-G317 PolarHBondContact O-N 3.31Å; Q314-M318 HydrophobicContact CG-CE 4.14Å; Q314-M318 HydrophobicContact CG-CG 4.41Å; Q314-M318 WeakPolarHBondContact O-CB 3.28Å; Q314-M318 VanDerWaalsContact O-CG 3.29Å; Q314-M318 WeakPolarHBondContact O-CG 3.33Å; Q314-M318 PolarHBondContact O-N 3.23Å; Q314-L344 HydrophobicContact CG-CD2 4.04Å; Q314-A525 PolarHBondContact NE2-O 2.91Å; Q314-L528 HydrophobicContact CB-CD2 4.37Å
315	C	93.2	Very high	89.7	Confident	11 Å²	11	42.8 Å²	42.8	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-37.6	176.3	-74.4	0	0	0	0	112.8	F311 A312 D313 M318 T319 P565	F311-C315 WeakPolarHBondContact O-CB 2.9Å; F311-C315 PolarHBondContact O-N 3.39Å; F311-C315 PolarHBondContact O-SG 2.89Å; A312-C315 WeakPolarHBondContact O-CB 3.25Å; A312-C315 PolarHBondContact O-N 2.8Å; D313-C315 VanDerWaalsContact C-N 3.3Å; D313-C315 PolarHBondContact O-N 3.39Å; C315-M318 HydrophobicContact CB-CE 4.27Å; C315-T319 WeakPolarHBondContact O-CB 3.42Å; C315-T319 PolarHBondContact O-N 3.12Å; C315-T319 PolarHBondContact O-OG1 3.48Å; C315-P565 HydrophobicContact CB-CG 4.49Å
316	K	92.2	Very high	89.3	Confident	139 Å²	139	42.9 Å²	42.9	60%	0.604	25%	0.254	S	S	*	.	H	α-helix	trans	-63	-51.9	173	-68	172.4	-179.4	177.1	0	110.3	A312 D313 Q314 M318 T319 D320	A312-K316 PolarHBondContact O-N 3.14Å; A312-K316 VanDerWaalsContact O-N 3.16Å; D313-K316 WeakPolarHBondContact O-CB 3.32Å; D313-K316 PolarHBondContact O-N 3.4Å; D313-K316 VanDerWaalsContact O-N 3.14Å; Q314-K316 VanDerWaalsContact C-N 3.32Å; Q314-K316 PolarHBondContact O-N 2.97Å; K316-M318 VanDerWaalsContact C-N 3.3Å; K316-M318 PolarHBondContact O-N 3.23Å; K316-T319 WeakPolarHBondContact O-CA 3.35Å; K316-T319 WeakPolarHBondContact O-CB 3.27Å; K316-T319 PolarHBondContact O-N 3.37Å; K316-D320 PolarHBondContact O-N 3.24Å
317	G	91.5	Very high	89.1	Confident	20 Å²	20	50.1 Å²	50.1	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-37.5	177.5	0	0	0	0	0	113.6	D313 Q314 L321	D313-G317 PolarHBondContact O-N 3.4Å; D313-G317 VanDerWaalsContact O-N 3.07Å; Q314-G317 PolarHBondContact O-N 3.31Å; G317-L321 WeakPolarHBondContact O-CB 3.41Å; G317-L321 PolarHBondContact O-N 2.94Å
318	M	92	Very high	88.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-37.9	173.6	-73.6	-172.5	-70	0	0	112.5	F311 Q314 C315 K316 A322 L332 V337 A341 L344	F311-M318 HydrophobicContact CE2-CE 4.36Å; Q314-M318 HydrophobicContact CG-CE 4.14Å; Q314-M318 HydrophobicContact CG-CG 4.41Å; Q314-M318 WeakPolarHBondContact O-CB 3.28Å; Q314-M318 VanDerWaalsContact O-CG 3.29Å; Q314-M318 WeakPolarHBondContact O-CG 3.33Å; Q314-M318 PolarHBondContact O-N 3.23Å; C315-M318 HydrophobicContact CB-CE 4.27Å; K316-M318 VanDerWaalsContact C-N 3.3Å; K316-M318 PolarHBondContact O-N 3.23Å; M318-A322 VanDerWaalsContact O-CB 3.24Å; M318-A322 WeakPolarHBondContact O-CB 3.31Å; M318-A322 PolarHBondContact O-N 2.94Å; M318-L332 HydrophobicContact CB-CD2 3.71Å; M318-L332 HydrophobicContact CE-CD2 3.97Å; M318-L332 HydrophobicContact SD-CD2 4.22Å; M318-V337 HydrophobicContact CE-CG1 4.02Å; M318-V337 HydrophobicContact SD-CG1 4.14Å; M318-V337 VanDerWaalsContact SD-O 3.35Å; M318-A341 HydrophobicContact SD-CB 3.67Å; M318-A341 PolarHBondContact SD-N 3.12Å; M318-L344 HydrophobicContact CG-CD2 4.38Å
319	T	92.2	Very high	88.3	Confident	33 Å²	33	60.1 Å²	60.1	20%	0.202	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-46	178.1	-58.1	0	0	0	0	110.7	C315 K316 L321 A322 A323 P330	C315-T319 WeakPolarHBondContact O-CB 3.42Å; C315-T319 PolarHBondContact O-N 3.12Å; C315-T319 PolarHBondContact O-OG1 3.48Å; K316-T319 WeakPolarHBondContact O-CA 3.35Å; K316-T319 WeakPolarHBondContact O-CB 3.27Å; K316-T319 PolarHBondContact O-N 3.37Å; T319-L321 VanDerWaalsContact C-N 3.32Å; T319-L321 PolarHBondContact O-N 3.15Å; T319-A322 PolarHBondContact O-N 3.38Å; T319-A323 WeakPolarHBondContact O-CB 3.4Å; T319-A323 PolarHBondContact O-N 3.11Å; T319-P330 HydrophobicContact CG2-CB 3.98Å; T319-P330 HydrophobicContact CG2-CG 3.76Å
320	D	89.6	Confident	87.8	Confident	107 Å²	107	60.2 Å²	60.2	57%	0.572	32%	0.316	S	S	*	.	H	α-helix	trans	-63.7	-40.2	177	-62.1	-23.4	0	0	0	111.4	K316 A323 S324	K316-D320 PolarHBondContact O-N 3.24Å; D320-A323 PolarHBondContact O-N 3.14Å; D320-S324 WeakPolarHBondContact O-CB 3.45Å; D320-S324 PolarHBondContact O-N 2.98Å; D320-S324 PolarHBondContact O-OG 3.39Å
321	L	85.9	Confident	87.5	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-42.5	177.1	-172.4	65.1	0	0	0	112	G317 T319 A323 S324 V325 Y340 K343 L344 M347 Y354	G317-L321 WeakPolarHBondContact O-CB 3.41Å; G317-L321 PolarHBondContact O-N 2.94Å; T319-L321 VanDerWaalsContact C-N 3.32Å; T319-L321 PolarHBondContact O-N 3.15Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.15Å; L321-S324 WeakPolarHBondContact CA-OG 3.49Å; L321-S324 PolarHBondContact O-N 3.1Å; L321-S324 PolarHBondContact O-OG 3.32Å; L321-V325 HydrophobicContact CD1-CG2 3.51Å; L321-V325 HydrophobicContact CG-CG2 4.17Å; L321-V325 WeakPolarHBondContact O-CB 3.17Å; L321-V325 WeakPolarHBondContact O-CG2 3.23Å; L321-V325 PolarHBondContact O-N 3.4Å; L321-Y340 HydrophobicContact CD2-CD1 4.21Å; L321-Y340 HydrophobicContact CG-CD1 4.27Å; L321-K343 HydrophobicContact CD2-CB 3.69Å; L321-L344 HydrophobicContact CD2-CB 4.16Å; L321-M347 HydrophobicContact CD1-CE 3.73Å; L321-M347 HydrophobicContact CD1-SD 3.36Å; L321-M347 WeakPolarHBondContact CD1-SD 3.47Å; L321-M347 HydrophobicContact CD2-CE 4.31Å; L321-M347 HydrophobicContact CD2-SD 3.99Å; L321-M347 HydrophobicContact CG-SD 4.34Å; L321-Y354 WeakPolarHBondContact CD1-OH 3.28Å
322	A	87.7	Confident	87.1	Confident	2 Å²	2	60 Å²	60	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-40.4	177.1	0	0	0	0	0	112	M318 T319 D326 F327 L328 L332 Y340	M318-A322 VanDerWaalsContact O-CB 3.24Å; M318-A322 WeakPolarHBondContact O-CB 3.31Å; M318-A322 PolarHBondContact O-N 2.94Å; T319-A322 PolarHBondContact O-N 3.38Å; A322-D326 CarbonylContact O-C 3.58Å; A322-D326 PolarHBondContact O-N 3.21Å; A322-F327 PolarHBondContact O-N 3.34Å; A322-L328 HydrophobicContact CB-CB 4Å; A322-L328 HydrophobicContact CB-CD2 4Å; A322-L328 WeakPolarHBondContact O-CB 3.46Å; A322-L328 PolarHBondContact O-N 3.47Å; A322-L332 HydrophobicContact CB-CD1 4.31Å; A322-Y340 VanDerWaalsContact CA-CE1 3.47Å; A322-Y340 HydrophobicContact CB-CD1 4.14Å; A322-Y340 HydrophobicContact CB-CD2 3.96Å; A322-Y340 HydrophobicContact CB-CE1 3.68Å; A322-Y340 HydrophobicContact CB-CE2 3.45Å; A322-Y340 VanDerWaalsContact CB-CE2 3.45Å; A322-Y340 HydrophobicContact CB-CG 4.28Å
323	A	87.6	Confident	86.9	Confident	40 Å²	40	62.2 Å²	62.2	33%	0.331	32%	0.323	S	S	.	.	H	α-helix	trans	-69.3	-37.9	177.6	0	0	0	0	0	112.8	T319 D320 L321 F327 L328	T319-A323 WeakPolarHBondContact O-CB 3.4Å; T319-A323 PolarHBondContact O-N 3.11Å; D320-A323 PolarHBondContact O-N 3.14Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.15Å; A323-F327 VanDerWaalsContact O-CA 3.27Å; A323-F327 WeakPolarHBondContact O-CA 3.32Å; A323-F327 PolarHBondContact O-N 3.41Å; A323-L328 WeakPolarHBondContact CA-O 3.09Å
324	S	83.1	Confident	86.4	Confident	75 Å²	75	58.1 Å²	58.1	52%	0.524	30%	0.302	S	S	.	.	H	α-helix	trans	-82	-39.5	-177.2	54.1	0	0	0	0	114.1	D320 L321	D320-S324 WeakPolarHBondContact O-CB 3.45Å; D320-S324 PolarHBondContact O-N 2.98Å; D320-S324 PolarHBondContact O-OG 3.39Å; L321-S324 WeakPolarHBondContact CA-OG 3.49Å; L321-S324 PolarHBondContact O-N 3.1Å; L321-S324 PolarHBondContact O-OG 3.32Å
325	V	77.8	Confident	85.8	Confident	35 Å²	35	59.1 Å²	59.1	21%	0.212	31%	0.305	C	S	.	.	H	α-helix	trans	-91.4	-39.6	-172.7	179.5	0	0	0	0	112.9	R232 L321 Y354	R232-V325 PolarHBondContact NH2-O 3.06Å; L321-V325 HydrophobicContact CD1-CG2 3.51Å; L321-V325 HydrophobicContact CG-CG2 4.17Å; L321-V325 WeakPolarHBondContact O-CB 3.17Å; L321-V325 WeakPolarHBondContact O-CG2 3.23Å; L321-V325 PolarHBondContact O-N 3.4Å; V325-Y354 HydrophobicContact CG2-CE1 3.93Å; V325-Y354 VanDerWaalsContact CG2-OH 3.32Å; V325-Y354 WeakPolarHBondContact CG2-OH 3.3Å
326	D	80.2	Confident	85.5	Confident	35 Å²	35	58.6 Å²	58.6	19%	0.187	30%	0.302	C	S	.	.	S	Bend	trans	-119.1	10	-172.8	-69.7	-36.8	0	0	0	112.2	R232 A322 L328 Y340	R232-D326 IonicContact CZ-OD1 3.96Å; R232-D326 VanDerWaalsContact CZ-OD1 3.29Å; R232-D326 IonicContact NE-OD1 2.96Å; R232-D326 PolarHBondContact NE-OD1 3.22Å; R232-D326 IonicContact NH2-OD1 3.59Å; R232-D326 PolarHBondContact NH2-OD1 3.2Å; A322-D326 CarbonylContact O-C 3.58Å; A322-D326 PolarHBondContact O-N 3.21Å; D326-L328 PolarHBondContact O-N 3.45Å; D326-Y340 WeakPolarHBondContact CB-OH 3.46Å; D326-Y340 PolarHBondContact OD2-OH 3.43Å
327	F	82.7	Confident	85.3	Confident	177 Å²	177	52.4 Å²	52.4	78%	0.776	28%	0.276	S	S	*	.			trans	50.9	31.2	179.9	-57.2	-79.6	0	0	0	113.3	A322 A323 R329	A322-F327 PolarHBondContact O-N 3.34Å; A323-F327 VanDerWaalsContact O-CA 3.27Å; A323-F327 WeakPolarHBondContact O-CA 3.32Å; A323-F327 PolarHBondContact O-N 3.41Å; F327-R329 PolarHBondContact O-N 2.8Å
328	L	84	Confident	84.9	Confident	25 Å²	25	52.4 Å²	52.4	13%	0.131	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-79.3	121.8	-176.8	-174.9	66.8	0	0	0	110.1	R234 A322 A323 D326 Y340	R234-L328 VanDerWaalsContact CZ-CD1 3.42Å; R234-L328 VanDerWaalsContact NH1-CD1 3.33Å; A322-L328 HydrophobicContact CB-CB 4Å; A322-L328 HydrophobicContact CB-CD2 4Å; A322-L328 WeakPolarHBondContact O-CB 3.46Å; A322-L328 PolarHBondContact O-N 3.47Å; A323-L328 WeakPolarHBondContact CA-O 3.09Å; D326-L328 PolarHBondContact O-N 3.45Å; L328-Y340 HydrophobicContact CD2-CE2 4.15Å
329	R	82.6	Confident	84.4	Confident	220 Å²	220	53 Å²	53	83%	0.83	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-70	134.3	174.7	-65.7	-175.8	-175.2	178.8	1.2	110.7	F327	F327-R329 PolarHBondContact O-N 2.8Å
330	P	81.2	Confident	84.3	Confident	87 Å²	87	51.6 Å²	51.6	57%	0.565	26%	0.264	S	S	*	.	S	Bend	trans	-57.2	158.7	170.4	-24	33.8	0	0	0	112.9	T319	T319-P330 HydrophobicContact CG2-CB 3.98Å; T319-P330 HydrophobicContact CG2-CG 3.76Å
331	P	82.4	Confident	84.2	Confident	72 Å²	72	46.5 Å²	46.5	47%	0.468	24%	0.237	S	C	.	.	S	Bend	cis	-81.1	155.7	0.6	33.4	-35.5	0	0	0	113
332	L	86.5	Confident	84.2	Confident	8 Å²	8	47 Å²	47	4%	0.042	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-57.9	139.3	167.5	-166	73.3	0	0	0	110	M318 A322 D336 V337 Y340 F566	M318-L332 HydrophobicContact CB-CD2 3.71Å; M318-L332 HydrophobicContact CE-CD2 3.97Å; M318-L332 HydrophobicContact SD-CD2 4.22Å; A322-L332 HydrophobicContact CB-CD1 4.31Å; L332-D336 HydrophobicContact CD1-CB 3.54Å; L332-D336 HydrophobicContact CG-CB 4.07Å; L332-V337 HydrophobicContact CD2-CG2 4.03Å; L332-Y340 HydrophobicContact CD1-CD2 3.76Å; L332-Y340 HydrophobicContact CD1-CE2 4.14Å; L332-F566 WeakPolarHBondContact O-CB 3.28Å
333	R	86.8	Confident	84	Confident	83 Å²	83	49.7 Å²	49.7	31%	0.313	25%	0.25	S	C	.	.			trans	-108.4	159.9	178.7	-62.1	-68.5	177.8	-179.9	-5.9	111.4	W335 D336 E569	R333-W335 VanDerWaalsContact C-N 3.29Å; R333-W335 HydrophobicContact CB-CD2 3.92Å; R333-W335 VanDerWaalsContact CB-CE2 3.43Å; R333-W335 HydrophobicContact CB-CE3 4.35Å; R333-W335 HydrophobicContact CB-CH2 4.01Å; R333-W335 HydrophobicContact CB-CZ2 3.5Å; R333-W335 VanDerWaalsContact CB-CZ2 3.5Å; R333-W335 HydrophobicContact CB-CZ3 4.41Å; R333-W335 HydrophobicContact CG-CH2 4.15Å; R333-W335 HydrophobicContact CG-CZ2 3.62Å; R333-W335 PolarHBondContact O-N 2.9Å; R333-W335 VanDerWaalsContact O-N 3.16Å; R333-D336 WeakPolarHBondContact CB-OD2 3.5Å; R333-D336 PolarHBondContact N-OD2 3.3Å; R333-D336 VanDerWaalsContact O-CB 3.3Å; R333-D336 WeakPolarHBondContact O-CB 3.44Å; R333-D336 PolarHBondContact O-N 3.46Å; R333-E569 WeakPolarHBondContact CD-OE2 3.43Å; R333-E569 IonicContact CZ-OE2 3.58Å; R333-E569 IonicContact NE-OE2 3.66Å; R333-E569 IonicContact NH1-OE2 2.72Å; R333-E569 PolarHBondContact NH1-OE2 2.86Å
334	P	81.7	Confident	84	Confident	25 Å²	25	50 Å²	50	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-39	-176.2	-29	35.3	0	0	0	115	F241 D336 V337 F566 E569	F241-P334 HydrophobicContact CD2-CB 4.15Å; F241-P334 HydrophobicContact CE1-CB 4.48Å; F241-P334 HydrophobicContact CE2-CB 3.39Å; F241-P334 HydrophobicContact CE2-CG 4.32Å; F241-P334 HydrophobicContact CZ-CB 3.58Å; F241-P334 HydrophobicContact CZ-CG 4.02Å; P334-D336 PolarHBondContact O-N 2.89Å; P334-V337 PolarHBondContact O-N 3.11Å; P334-F566 HydrophobicContact CB-CE2 4.25Å; P334-F566 HydrophobicContact CG-CD2 4Å; P334-F566 HydrophobicContact CG-CE2 3.83Å; P334-E569 HydrophobicContact CG-CB 4.1Å
335	W	81.9	Confident	84.2	Confident	37 Å²	37	46.6 Å²	46.6	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-10.5	177.7	53.9	76.9	0	0	0	114.5	R237 I238 F241 R333 E569	R237-W335 HydrophobicContact CB-CB 4.46Å; I238-W335 HydrophobicContact CD1-CZ2 4.46Å; I238-W335 HydrophobicContact CG1-CD2 3.88Å; I238-W335 HydrophobicContact CG1-CG 3.81Å; I238-W335 HydrophobicContact CG1-CZ2 4.44Å; F241-W335 HydrophobicContact CB-CB 3.81Å; F241-W335 AromaticContact CD1-CE3 3.5Å; F241-W335 HydrophobicContact CD1-CE3 3.5Å; F241-W335 HydrophobicContact CD1-CZ3 4.09Å; F241-W335 HydrophobicContact CD2-CB 4.5Å; F241-W335 AromaticContact CE1-CE3 3.72Å; F241-W335 HydrophobicContact CE1-CE3 3.72Å; F241-W335 AromaticContact CE1-CZ3 3.98Å; F241-W335 HydrophobicContact CE1-CZ3 3.98Å; F241-W335 HydrophobicContact CG-CB 4.06Å; F241-W335 HydrophobicContact CG-CE3 4.09Å; F241-W335 HydrophobicContact CZ-CE3 4.48Å; R333-W335 VanDerWaalsContact C-N 3.29Å; R333-W335 HydrophobicContact CB-CD2 3.92Å; R333-W335 VanDerWaalsContact CB-CE2 3.43Å; R333-W335 HydrophobicContact CB-CE3 4.35Å; R333-W335 HydrophobicContact CB-CH2 4.01Å; R333-W335 HydrophobicContact CB-CZ2 3.5Å; R333-W335 VanDerWaalsContact CB-CZ2 3.5Å; R333-W335 HydrophobicContact CB-CZ3 4.41Å; R333-W335 HydrophobicContact CG-CH2 4.15Å; R333-W335 HydrophobicContact CG-CZ2 3.62Å; R333-W335 PolarHBondContact O-N 2.9Å; R333-W335 VanDerWaalsContact O-N 3.16Å; W335-E569 HydrophobicContact CH2-CG 4.38Å; W335-E569 HydrophobicContact CZ3-CG 4Å
336	D	86.5	Confident	84.4	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-88.6	-24.8	176.9	-65	-49	0	0	0	111.6	R234 R237 L332 R333 P334 Y339 Y340	R234-D336 IonicContact CZ-OD1 2.89Å; R234-D336 IonicContact CZ-OD2 3.64Å; R234-D336 IonicContact NE-OD1 2.67Å; R234-D336 PolarHBondContact NE-OD1 3.39Å; R234-D336 IonicContact NE-OD2 3.57Å; R234-D336 PolarHBondContact NE-OD2 2.81Å; R234-D336 IonicContact NH2-OD2 2.69Å; R234-D336 PolarHBondContact NH2-OD2 2.93Å; R237-D336 IonicContact CZ-OD1 3.4Å; R237-D336 VanDerWaalsContact CZ-OD1 3.23Å; R237-D336 IonicContact NE-OD1 2.65Å; R237-D336 IonicContact NH1-OD1 2.7Å; R237-D336 IonicContact NH2-OD1 2.74Å; R237-D336 PolarHBondContact NH2-OD1 3.42Å; L332-D336 HydrophobicContact CD1-CB 3.54Å; L332-D336 HydrophobicContact CG-CB 4.07Å; R333-D336 WeakPolarHBondContact CB-OD2 3.5Å; R333-D336 PolarHBondContact N-OD2 3.3Å; R333-D336 VanDerWaalsContact O-CB 3.3Å; R333-D336 WeakPolarHBondContact O-CB 3.44Å; R333-D336 PolarHBondContact O-N 3.46Å; P334-D336 PolarHBondContact O-N 2.89Å; D336-Y339 PolarHBondContact O-N 3.25Å; D336-Y340 HydrophobicContact CB-CD2 3.8Å; D336-Y340 HydrophobicContact CB-CE2 3.78Å; D336-Y340 WeakPolarHBondContact O-CD2 3.4Å; D336-Y340 PolarHBondContact O-N 2.97Å; D336-Y340 VanDerWaalsContact O-N 3.08Å
337	V	88.1	Confident	84.4	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.055	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-56.2	-169	175.6	0	0	0	0	113.2	F311 M318 L332 P334 Y339 Y340 A341 P529 F566	F311-V337 HydrophobicContact CE2-CG1 4.47Å; M318-V337 HydrophobicContact CE-CG1 4.02Å; M318-V337 HydrophobicContact SD-CG1 4.14Å; M318-V337 VanDerWaalsContact SD-O 3.35Å; L332-V337 HydrophobicContact CD2-CG2 4.03Å; P334-V337 PolarHBondContact O-N 3.11Å; V337-Y339 VanDerWaalsContact C-N 3.26Å; V337-Y339 PolarHBondContact O-N 3Å; V337-Y340 PolarHBondContact O-N 3.28Å; V337-A341 WeakPolarHBondContact O-CB 3.29Å; V337-A341 PolarHBondContact O-N 3.25Å; V337-P529 HydrophobicContact CG1-CB 3.45Å; V337-P529 VanDerWaalsContact CG1-CB 3.45Å; V337-P529 HydrophobicContact CG1-CG 3.67Å; V337-F566 HydrophobicContact CG2-CD1 4.34Å; V337-F566 HydrophobicContact CG2-CE1 3.59Å; V337-F566 HydrophobicContact CG2-CZ 3.84Å
338	D	81.7	Confident	84.5	Confident	19 Å²	19	44.5 Å²	44.5	10%	0.102	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-35.3	-175.2	-70.9	-34.8	0	0	0	112	L229 Y230 R342 R533	L229-D338 HydrophobicContact CB-CB 4.37Å; Y230-D338 HydrophobicContact CE1-CB 4.4Å; Y230-D338 WeakPolarHBondContact CE1-O 3.31Å; D338-R342 WeakPolarHBondContact O-CB 3.41Å; D338-R342 PolarHBondContact O-N 3.02Å; D338-R533 IonicContact OD2-NH1 2.67Å
339	Y	83.3	Confident	84.3	Confident	14 Å²	14	45.6 Å²	45.6	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-53	176.7	173.6	-96.5	0	0	0	112	R232 R237 D336 V337 R342 K343	R232-Y339 HydrophobicContact CB-CE2 4.42Å; R232-Y339 WeakPolarHBondContact CB-OH 3.31Å; R232-Y339 WeakPolarHBondContact CG-OH 3.32Å; R237-Y339 VanDerWaalsContact NH1-CB 3.32Å; D336-Y339 PolarHBondContact O-N 3.25Å; V337-Y339 VanDerWaalsContact C-N 3.26Å; V337-Y339 PolarHBondContact O-N 3Å; Y339-R342 PolarHBondContact O-N 3.32Å; Y339-K343 HydrophobicContact CD1-CG 4.36Å; Y339-K343 HydrophobicContact CE1-CG 4.06Å; Y339-K343 HydrophobicContact CE2-CG 4.28Å; Y339-K343 WeakPolarHBondContact O-CG 3.29Å; Y339-K343 PolarHBondContact O-N 3.3Å
340	Y	88.7	Confident	83.6	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-74.2	-29.9	-175.8	-68.9	-66.2	0	0	0	112.2	L321 A322 D326 L328 L332 D336 V337 K343 L344	L321-Y340 HydrophobicContact CD2-CD1 4.21Å; L321-Y340 HydrophobicContact CG-CD1 4.27Å; A322-Y340 VanDerWaalsContact CA-CE1 3.47Å; A322-Y340 HydrophobicContact CB-CD1 4.14Å; A322-Y340 HydrophobicContact CB-CD2 3.96Å; A322-Y340 HydrophobicContact CB-CE1 3.68Å; A322-Y340 HydrophobicContact CB-CE2 3.45Å; A322-Y340 VanDerWaalsContact CB-CE2 3.45Å; A322-Y340 HydrophobicContact CB-CG 4.28Å; D326-Y340 WeakPolarHBondContact CB-OH 3.46Å; D326-Y340 PolarHBondContact OD2-OH 3.43Å; L328-Y340 HydrophobicContact CD2-CE2 4.15Å; L332-Y340 HydrophobicContact CD1-CD2 3.76Å; L332-Y340 HydrophobicContact CD1-CE2 4.14Å; D336-Y340 HydrophobicContact CB-CD2 3.8Å; D336-Y340 HydrophobicContact CB-CE2 3.78Å; D336-Y340 WeakPolarHBondContact O-CD2 3.4Å; D336-Y340 PolarHBondContact O-N 2.97Å; D336-Y340 VanDerWaalsContact O-N 3.08Å; V337-Y340 PolarHBondContact O-N 3.28Å; Y340-K343 PolarHBondContact O-N 2.87Å; Y340-L344 WeakPolarHBondContact O-CB 3.41Å; Y340-L344 PolarHBondContact O-N 3.46Å
341	A	89	Confident	82.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-45.4	172.1	0	0	0	0	0	111	M318 V337 A345 P529	M318-A341 HydrophobicContact SD-CB 3.67Å; M318-A341 PolarHBondContact SD-N 3.12Å; V337-A341 WeakPolarHBondContact O-CB 3.29Å; V337-A341 PolarHBondContact O-N 3.25Å; A341-A345 WeakPolarHBondContact O-CB 3.49Å; A341-A345 PolarHBondContact O-N 3.48Å; A341-P529 HydrophobicContact CB-CG 3.54Å
342	R	84.8	Confident	81.2	Confident	21 Å²	21	33 Å²	33	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-47.6	173.3	179.8	176.7	172.8	157.8	-2.3	111.2	Y230 D338 Y339 L344 A345 E346 F370 N371 A526	Y230-R342 HydrophobicContact CD1-CB 4.18Å; Y230-R342 HydrophobicContact CD1-CG 4.41Å; Y230-R342 HydrophobicContact CE1-CB 4.02Å; Y230-R342 HydrophobicContact CE1-CG 4.42Å; D338-R342 WeakPolarHBondContact O-CB 3.41Å; D338-R342 PolarHBondContact O-N 3.02Å; Y339-R342 PolarHBondContact O-N 3.32Å; R342-L344 PolarHBondContact O-N 2.9Å; R342-A345 PolarHBondContact O-N 3.3Å; R342-E346 HydrophobicContact CG-CG 4.29Å; R342-E346 IonicContact CZ-OE1 2.85Å; R342-E346 IonicContact NE-OE1 3.66Å; R342-E346 PolarHBondContact NE-OE1 3.35Å; R342-E346 VanDerWaalsContact NE-OE1 3.09Å; R342-E346 IonicContact NH2-OE1 2.97Å; R342-E346 WeakPolarHBondContact O-CB 3.48Å; R342-E346 VanDerWaalsContact O-CG 3.29Å; R342-E346 WeakPolarHBondContact O-CG 3.36Å; R342-E346 PolarHBondContact O-N 2.9Å; R342-F370 HydrophobicContact CG-CD2 3.82Å; R342-F370 HydrophobicContact CG-CE2 3.9Å; R342-F370 VanDerWaalsContact NH2-CB 3.34Å; R342-N371 PolarHBondContact NH2-OD1 3.28Å; R342-A526 HydrophobicContact CB-CB 4.45Å
343	K	83.8	Confident	79.3	Confident	59 Å²	59	39.3 Å²	39.3	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-42.9	179.8	-74.3	-72.3	170	-153.5	0	112.9	L321 Y339 Y340 E346 M347	L321-K343 HydrophobicContact CD2-CB 3.69Å; Y339-K343 HydrophobicContact CD1-CG 4.36Å; Y339-K343 HydrophobicContact CE1-CG 4.06Å; Y339-K343 HydrophobicContact CE2-CG 4.28Å; Y339-K343 WeakPolarHBondContact O-CG 3.29Å; Y339-K343 PolarHBondContact O-N 3.3Å; Y340-K343 PolarHBondContact O-N 2.87Å; K343-E346 IonicContact NZ-OE2 2.69Å; K343-E346 PolarHBondContact NZ-OE2 3.25Å; K343-E346 PolarHBondContact O-N 3.36Å; K343-M347 VanDerWaalsContact O-CG 3.29Å; K343-M347 WeakPolarHBondContact O-CG 3.47Å; K343-M347 PolarHBondContact O-N 2.91Å
344	L	88.5	Confident	76.9	Confident	46 Å²	46	41.8 Å²	41.8	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-42.7	177.2	-173.7	66.3	0	0	0	111.1	Q314 M318 L321 Y340 R342 M347 K348	Q314-L344 HydrophobicContact CG-CD2 4.04Å; M318-L344 HydrophobicContact CG-CD2 4.38Å; L321-L344 HydrophobicContact CD2-CB 4.16Å; Y340-L344 WeakPolarHBondContact O-CB 3.41Å; Y340-L344 PolarHBondContact O-N 3.46Å; R342-L344 PolarHBondContact O-N 2.9Å; L344-M347 PolarHBondContact O-N 3.43Å; L344-K348 VanDerWaalsContact O-CB 3.31Å; L344-K348 WeakPolarHBondContact O-CB 3.1Å; L344-K348 PolarHBondContact O-N 2.97Å
345	A	87.2	Confident	74.6	Confident	3 Å²	3	48.5 Å²	48.5	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-42.3	174.1	0	0	0	0	0	111.9	A341 R342 M347 K348 Y349 A522 A525 A526	A341-A345 WeakPolarHBondContact O-CB 3.49Å; A341-A345 PolarHBondContact O-N 3.48Å; R342-A345 PolarHBondContact O-N 3.3Å; A345-M347 VanDerWaalsContact C-N 3.33Å; A345-M347 PolarHBondContact O-N 2.66Å; A345-K348 PolarHBondContact O-N 3.49Å; A345-Y349 WeakPolarHBondContact O-CD2 3.46Å; A345-Y349 PolarHBondContact O-N 3.29Å; A345-A522 WeakPolarHBondContact CB-O 3.05Å; A345-A525 HydrophobicContact CB-CB 3.81Å; A345-A526 HydrophobicContact CB-CB 3.97Å
346	E	81.1	Confident	72.2	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-45.3	175.9	-72.9	175.2	168.3	0	0	110	R342 K343 G350 Y351 T352 F370	R342-E346 HydrophobicContact CG-CG 4.29Å; R342-E346 IonicContact CZ-OE1 2.85Å; R342-E346 IonicContact NE-OE1 3.66Å; R342-E346 PolarHBondContact NE-OE1 3.35Å; R342-E346 VanDerWaalsContact NE-OE1 3.09Å; R342-E346 IonicContact NH2-OE1 2.97Å; R342-E346 WeakPolarHBondContact O-CB 3.48Å; R342-E346 VanDerWaalsContact O-CG 3.29Å; R342-E346 WeakPolarHBondContact O-CG 3.36Å; R342-E346 PolarHBondContact O-N 2.9Å; K343-E346 IonicContact NZ-OE2 2.69Å; K343-E346 PolarHBondContact NZ-OE2 3.25Å; K343-E346 PolarHBondContact O-N 3.36Å; E346-G350 PolarHBondContact O-N 3.31Å; E346-Y351 CarbonylContact O-C 3.46Å; E346-Y351 VanDerWaalsContact O-CA 3.24Å; E346-Y351 WeakPolarHBondContact O-CA 3.2Å; E346-Y351 WeakPolarHBondContact O-CB 3.31Å; E346-Y351 PolarHBondContact O-N 3.39Å; E346-T352 WeakPolarHBondContact CB-OG1 3.43Å; E346-T352 PolarHBondContact O-N 3.45Å; E346-F370 HydrophobicContact CG-CD2 3.76Å; E346-F370 HydrophobicContact CG-CE2 3.89Å; E346-F370 WeakPolarHBondContact OE1-CD2 3.5Å; E346-F370 PolarHBondContact OE1-N 3.18Å
347	M	80.1	Confident	69.5	Low	49 Å²	49	60.3 Å²	60.3	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-46.2	178.1	-71.9	170.6	-171.7	0	0	113	L321 K343 L344 A345 Y349 G350 T352 Y354	L321-M347 HydrophobicContact CD1-CE 3.73Å; L321-M347 HydrophobicContact CD1-SD 3.36Å; L321-M347 WeakPolarHBondContact CD1-SD 3.47Å; L321-M347 HydrophobicContact CD2-CE 4.31Å; L321-M347 HydrophobicContact CD2-SD 3.99Å; L321-M347 HydrophobicContact CG-SD 4.34Å; K343-M347 VanDerWaalsContact O-CG 3.29Å; K343-M347 WeakPolarHBondContact O-CG 3.47Å; K343-M347 PolarHBondContact O-N 2.91Å; L344-M347 PolarHBondContact O-N 3.43Å; A345-M347 VanDerWaalsContact C-N 3.33Å; A345-M347 PolarHBondContact O-N 2.66Å; M347-Y349 VanDerWaalsContact C-N 3.26Å; M347-Y349 PolarHBondContact O-N 3.34Å; M347-G350 PolarHBondContact O-N 3.03Å; M347-T352 HydrophobicContact CE-CG2 3.69Å; M347-T352 HydrophobicContact CG-CG2 3.84Å; M347-T352 PolarHBondContact N-OG1 3.02Å; M347-Y354 HydrophobicContact CE-CE1 4.26Å; M347-Y354 HydrophobicContact CE-CE2 3.72Å; M347-Y354 WeakPolarHBondContact CE-OH 3.42Å; M347-Y354 HydrophobicContact CG-CE2 4.22Å; M347-Y354 HydrophobicContact SD-CE2 3.8Å; M347-Y354 PolarHBondContact SD-OH 3.23Å
348	K	83.8	Confident	67	Low	152 Å²	152	67.6 Å²	67.6	66%	0.661	33%	0.329	S	S	*	.	H	α-helix	trans	-62.1	-32.3	-176	-176.7	171.4	-178.4	171.1	0	113.2	L344 A345	L344-K348 VanDerWaalsContact O-CB 3.31Å; L344-K348 WeakPolarHBondContact O-CB 3.1Å; L344-K348 PolarHBondContact O-N 2.97Å; A345-K348 PolarHBondContact O-N 3.49Å
349	Y	81	Confident	64.6	Low	49 Å²	49	77 Å²	77	19%	0.192	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	20.4	-174.6	-61.5	-68.9	0	0	0	113.7	A345 M347 Y351 K521 A522 A525	A345-Y349 WeakPolarHBondContact O-CD2 3.46Å; A345-Y349 PolarHBondContact O-N 3.29Å; M347-Y349 VanDerWaalsContact C-N 3.26Å; M347-Y349 PolarHBondContact O-N 3.34Å; Y349-Y351 VanDerWaalsContact O-CD2 3.3Å; Y349-Y351 WeakPolarHBondContact O-CD2 3.47Å; Y349-Y351 WeakPolarHBondContact O-CE2 3.37Å; Y349-K521 HydrophobicContact CD1-CB 4.01Å; Y349-K521 HydrophobicContact CD1-CD 4.38Å; Y349-K521 HydrophobicContact CD2-CB 4.36Å; Y349-K521 HydrophobicContact CE1-CB 3.6Å; Y349-K521 HydrophobicContact CE1-CD 3.75Å; Y349-K521 HydrophobicContact CE1-CG 4.29Å; Y349-K521 HydrophobicContact CE2-CB 3.95Å; Y349-K521 HydrophobicContact CG-CB 4.38Å; Y349-A522 VanDerWaalsContact CD2-CA 3.5Å; Y349-A522 HydrophobicContact CD2-CB 3.81Å; Y349-A522 HydrophobicContact CG-CB 4.24Å; Y349-A525 HydrophobicContact CE2-CB 3.96Å
350	G	68.6	Low	62.2	Low	56 Å²	56	82.8 Å²	82.8	58%	0.577	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	16.7	170.9	0	0	0	0	0	115.5	E346 M347	E346-G350 PolarHBondContact O-N 3.31Å; M347-G350 PolarHBondContact O-N 3.03Å
351	Y	61.6	Low	59.6	Low	18 Å²	18	89.5 Å²	89.5	7%	0.071	44%	0.436	C	S	.	.			trans	-99	14	179.3	-62.5	-73.3	0	0	0	113.5	E346 Y349 V368 I373 E515 N518 F519 A522	E346-Y351 CarbonylContact O-C 3.46Å; E346-Y351 VanDerWaalsContact O-CA 3.24Å; E346-Y351 WeakPolarHBondContact O-CA 3.2Å; E346-Y351 WeakPolarHBondContact O-CB 3.31Å; E346-Y351 PolarHBondContact O-N 3.39Å; Y349-Y351 VanDerWaalsContact O-CD2 3.3Å; Y349-Y351 WeakPolarHBondContact O-CD2 3.47Å; Y349-Y351 WeakPolarHBondContact O-CE2 3.37Å; Y351-V368 CarbonylContact C-O 3.58Å; Y351-V368 WeakPolarHBondContact CA-O 3.44Å; Y351-V368 WeakPolarHBondContact CB-O 3.31Å; Y351-V368 HydrophobicContact CD1-CB 4.08Å; Y351-V368 HydrophobicContact CD1-CG1 3.54Å; Y351-V368 WeakPolarHBondContact CD1-O 3.46Å; Y351-V368 HydrophobicContact CE1-CG1 3.99Å; Y351-V368 CarbonylContact O-C 3.56Å; Y351-V368 VanDerWaalsContact O-C 3.32Å; Y351-I373 HydrophobicContact CE1-CD1 4.3Å; Y351-E515 PolarHBondContact OH-O 2.76Å; Y351-N518 HydrophobicContact CE2-CB 4.37Å; Y351-F519 VanDerWaalsContact OH-CA 3.24Å; Y351-F519 WeakPolarHBondContact OH-CA 3.32Å; Y351-F519 WeakPolarHBondContact OH-CB 3.47Å; Y351-F519 PolarHBondContact OH-N 3.4Å; Y351-F519 VanDerWaalsContact OH-N 3.07Å; Y351-A522 HydrophobicContact CD2-CB 3.89Å; Y351-A522 HydrophobicContact CE2-CB 3.89Å
352	T	51.1	Low	56.8	Low	40 Å²	40	94.8 Å²	94.8	25%	0.245	47%	0.472	C	S	.	.			trans	-133.9	144.4	172.9	-55.9	0	0	0	0	111.8	E346 M347	E346-T352 WeakPolarHBondContact CB-OG1 3.43Å; E346-T352 PolarHBondContact O-N 3.45Å; M347-T352 HydrophobicContact CE-CG2 3.69Å; M347-T352 HydrophobicContact CG-CG2 3.84Å; M347-T352 PolarHBondContact N-OG1 3.02Å
353	R	45.5	Very low	54.2	Low	141 Å²	141	101.1 Å²	101.1	53%	0.532	51%	0.506	S	S	.	.			trans	-111.8	134.6	171.6	-170.4	177.9	-169.5	172.8	6.3	109.8	Y366	R353-Y366 PolarHBondContact NH1-O 2.7Å
354	Y	38.1	Very low	51.6	Low	135 Å²	135	107.5 Å²	107.5	53%	0.529	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-101.7	124.6	158.5	-72.2	-84.7	0	0	0	107.7	L321 V325 M347	L321-Y354 WeakPolarHBondContact CD1-OH 3.28Å; V325-Y354 HydrophobicContact CG2-CE1 3.93Å; V325-Y354 VanDerWaalsContact CG2-OH 3.32Å; V325-Y354 WeakPolarHBondContact CG2-OH 3.3Å; M347-Y354 HydrophobicContact CE-CE1 4.26Å; M347-Y354 HydrophobicContact CE-CE2 3.72Å; M347-Y354 WeakPolarHBondContact CE-OH 3.42Å; M347-Y354 HydrophobicContact CG-CE2 4.22Å; M347-Y354 HydrophobicContact SD-CE2 3.8Å; M347-Y354 PolarHBondContact SD-OH 3.23Å
355	F	33.5	Very low	48.7	Very low	166 Å²	166	112 Å²	112	73%	0.728	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-101	121	147.7	-104.2	-71.5	0	0	0	106.2
356	L	30.3	Very low	46.2	Very low	143 Å²	143	119.9 Å²	119.9	75%	0.749	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-68.5	127.2	159.3	-98.6	129.9	0	0	0	107.6
357	L	30.2	Very low	43.9	Very low	142 Å²	142	129.4 Å²	129.4	74%	0.743	62%	0.62	S	S	*	*			trans	52.1	107.4	149.9	-62.4	161.5	0	0	0	117.3
358	D	34.8	Very low	42	Very low	162 Å²	162	129 Å²	129	87%	0.866	62%	0.62	S	S	*	*				-163.4	134.2	121	-90.2	-27.8	0	0	0	110.1	I360	D358-I360 PolarHBondContact O-N 3.01Å
359	F	32.4	Very low	40.7	Very low	215 Å²	215	123.2 Å²	123.2	94%	0.943	60%	0.6	S	S	*	*			trans	-83.1	30.1	-159.3	-153.7	-99.8	0	0	0	113.8
360	I	33	Very low	40	Very low	137 Å²	137	121 Å²	121	70%	0.703	59%	0.591	S	S	*	*			trans	-134.9	119.1	-166.2	-59.8	178.5	0	0	0	110.4	D358	D358-I360 PolarHBondContact O-N 3.01Å
361	D	32.8	Very low	40	Very low	144 Å²	144	122.6 Å²	122.6	77%	0.77	59%	0.586	S	S	*	*			trans	56	115.3	156.2	-59.7	-32.6	0	0	0	120.6
362	C	31	Very low	40.3	Very low	110 Å²	110	123.6 Å²	123.6	74%	0.743	59%	0.594	S	S	*	*			trans	58.2	96.6	140.8	-81.2	0	0	0	0	119.1	Q364	C362-Q364 PolarHBondContact O-N 3.11Å
363	I	30.6	Very low	41.8	Very low	155 Å²	155	121.9 Å²	121.9	80%	0.795	58%	0.584	S	S	*	*			trans	34.6	75.7	132.4	-46.5	175.9	0	0	0	114.1	F365	I363-F365 HydrophobicContact CG2-CE2 4.39Å
364	Q	28.8	Very low	43.6	Very low	192 Å²	192	116 Å²	116	90%	0.897	56%	0.564	S	S	*	*			trans	-123.7	134.5	161.4	-84.4	-170.7	-2.3	0	0	112.4	C362	C362-Q364 PolarHBondContact O-N 3.11Å
365	F	28.1	Very low	45.9	Very low	142 Å²	142	111 Å²	111	62%	0.623	55%	0.546	S	S	*	.			trans	-81	170.4	-162.6	-81	-114.8	0	0	0	113.9	I363	I363-F365 HydrophobicContact CG2-CE2 4.39Å
366	Y	33.2	Very low	48.7	Very low	168 Å²	168	105.4 Å²	105.4	66%	0.659	52%	0.52	S	S	*	.			trans	115.6	125.2	139.1	-57.2	-63.4	0	0	0	118.8	R353	R353-Y366 PolarHBondContact NH1-O 2.7Å
367	R	32.6	Very low	51.6	Low	201 Å²	201	98.6 Å²	98.6	76%	0.758	48%	0.484	S	S	*	.	S	Bend	trans	79.6	123	172.4	-71.5	-168.3	164.1	171.3	-4.6	117.5
368	V	41.4	Very low	54.5	Low	40 Å²	40	92.1 Å²	92.1	24%	0.242	45%	0.451	C	S	.	.			cis	-149.2	81.3	-4	-173.1	0	0	0	0	108.2	Y351 T372	Y351-V368 CarbonylContact C-O 3.58Å; Y351-V368 WeakPolarHBondContact CA-O 3.44Å; Y351-V368 WeakPolarHBondContact CB-O 3.31Å; Y351-V368 HydrophobicContact CD1-CB 4.08Å; Y351-V368 HydrophobicContact CD1-CG1 3.54Å; Y351-V368 WeakPolarHBondContact CD1-O 3.46Å; Y351-V368 HydrophobicContact CE1-CG1 3.99Å; Y351-V368 CarbonylContact O-C 3.56Å; Y351-V368 VanDerWaalsContact O-C 3.32Å; V368-T372 HydrophobicContact CG1-CG2 4.3Å
369	S	56	Low	57	Low	32 Å²	32	85.5 Å²	85.5	22%	0.224	42%	0.417	C	S	.	.			trans	-74.1	169.4	175.6	72.7	0	0	0	0	111.4	N371 T372 I373	S369-N371 PolarHBondContact O-N 2.74Å; S369-N371 WeakPolarHBondContact OG-CB 3.32Å; S369-N371 PolarHBondContact OG-N 3.21Å; S369-N371 VanDerWaalsContact OG-N 3.1Å; S369-T372 PolarHBondContact N-OG1 3.24Å; S369-T372 WeakPolarHBondContact O-CA 3.28Å; S369-T372 WeakPolarHBondContact O-CB 3.33Å; S369-T372 PolarHBondContact O-N 3.28Å; S369-I373 PolarHBondContact O-N 2.97Å
370	F	66.5	Low	59.7	Low	1 Å²	1	79.7 Å²	79.7	0%	0.004	40%	0.403	C	S	.	.	H	α-helix	trans	-50.6	-20.4	164.9	-83.2	-58.9	0	0	0	114	R342 E346 I373 W444 F519 A522 I523 A526	R342-F370 HydrophobicContact CG-CD2 3.82Å; R342-F370 HydrophobicContact CG-CE2 3.9Å; R342-F370 VanDerWaalsContact NH2-CB 3.34Å; E346-F370 HydrophobicContact CG-CD2 3.76Å; E346-F370 HydrophobicContact CG-CE2 3.89Å; E346-F370 WeakPolarHBondContact OE1-CD2 3.5Å; E346-F370 PolarHBondContact OE1-N 3.18Å; F370-I373 WeakPolarHBondContact O-CG2 3.26Å; F370-W444 AromaticContact CD1-CD1 3.77Å; F370-W444 HydrophobicContact CD1-CG 4.21Å; F370-W444 AromaticContact CG-CD1 3.84Å; F370-W444 AromaticContact CG-NE1 3.86Å; F370-F519 HydrophobicContact CD1-CD2 4.25Å; F370-F519 AromaticContact CD1-CE2 3.85Å; F370-F519 HydrophobicContact CD1-CE2 3.85Å; F370-F519 AromaticContact CE1-CD2 3.98Å; F370-F519 HydrophobicContact CE1-CD2 3.98Å; F370-F519 AromaticContact CE1-CE2 3.87Å; F370-F519 HydrophobicContact CE1-CE2 3.87Å; F370-A522 HydrophobicContact CE1-CB 4.1Å; F370-A522 HydrophobicContact CZ-CB 3.75Å; F370-I523 HydrophobicContact CD1-CG1 4.48Å; F370-I523 HydrophobicContact CE1-CG1 3.58Å; F370-I523 HydrophobicContact CZ-CG1 4.06Å; F370-A526 HydrophobicContact CE2-CB 4.25Å; F370-A526 HydrophobicContact CZ-CB 4.46Å
371	N	68	Low	62.5	Low	90 Å²	90	76.1 Å²	76.1	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-76.4	-29.4	173	-58	-18.1	0	0	0	112	R342 S369 S374 H443	R342-N371 PolarHBondContact NH2-OD1 3.28Å; S369-N371 PolarHBondContact O-N 2.74Å; S369-N371 WeakPolarHBondContact OG-CB 3.32Å; S369-N371 PolarHBondContact OG-N 3.21Å; S369-N371 VanDerWaalsContact OG-N 3.1Å; N371-S374 WeakPolarHBondContact O-CB 3.26Å; N371-S374 PolarHBondContact O-OG 3.34Å; N371-H443 PolarHBondContact OD1-CD2 3.02Å; N371-H443 PolarHBondContact OD1-NE2 2.85Å
372	T	69.3	Low	65.4	Low	40 Å²	40	69.2 Å²	69.2	25%	0.245	35%	0.346	C	S	.	.	H	α-helix	trans	-74.4	-36.8	177.8	-50.9	0	0	0	0	111.3	V368 S369 S374 E375	V368-T372 HydrophobicContact CG1-CG2 4.3Å; S369-T372 PolarHBondContact N-OG1 3.24Å; S369-T372 WeakPolarHBondContact O-CA 3.28Å; S369-T372 WeakPolarHBondContact O-CB 3.33Å; S369-T372 PolarHBondContact O-N 3.28Å; T372-S374 PolarHBondContact O-N 3.04Å; T372-S374 VanDerWaalsContact O-N 3.16Å; T372-E375 WeakPolarHBondContact O-CB 3.33Å; T372-E375 VanDerWaalsContact O-CG 3.32Å; T372-E375 WeakPolarHBondContact O-CG 3.34Å; T372-E375 PolarHBondContact O-N 3.19Å
373	I	81.1	Confident	68.2	Low	4 Å²	4	67 Å²	67	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-22.5	177.6	-151.1	-179	0	0	0	112.7	Y351 S369 F370 E375 Y376 F377 L511 F519	Y351-I373 HydrophobicContact CE1-CD1 4.3Å; S369-I373 PolarHBondContact O-N 2.97Å; F370-I373 WeakPolarHBondContact O-CG2 3.26Å; I373-E375 PolarHBondContact O-N 3.2Å; I373-E375 VanDerWaalsContact O-N 3.14Å; I373-Y376 HydrophobicContact CG1-CD2 4.34Å; I373-Y376 WeakPolarHBondContact O-CB 3.32Å; I373-Y376 PolarHBondContact O-N 3.32Å; I373-F377 HydrophobicContact CD1-CE2 4.49Å; I373-F377 HydrophobicContact CG1-CE2 4.24Å; I373-F377 VanDerWaalsContact O-CD2 3.29Å; I373-F377 WeakPolarHBondContact O-CD2 3.24Å; I373-L511 HydrophobicContact CD1-CD1 4.13Å; I373-L511 HydrophobicContact CG1-CD1 4.31Å; I373-L511 HydrophobicContact CG1-CD2 4.41Å; I373-F519 HydrophobicContact CD1-CB 3.52Å; I373-F519 HydrophobicContact CD1-CD1 3.59Å; I373-F519 HydrophobicContact CD1-CD2 3.24Å; I373-F519 HydrophobicContact CD1-CE1 4.03Å; I373-F519 HydrophobicContact CD1-CE2 3.71Å; I373-F519 HydrophobicContact CD1-CG 3.16Å; I373-F519 HydrophobicContact CD1-CZ 4.06Å; I373-F519 HydrophobicContact CG1-CD2 4.48Å; I373-F519 HydrophobicContact CG2-CD2 4.04Å; I373-F519 HydrophobicContact CG2-CE2 3.5Å; I373-F519 HydrophobicContact CG2-CZ 3.89Å
374	S	84.3	Confident	71.2	Confident	16 Å²	16	63 Å²	63	11%	0.112	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-58.7	-23.4	171.6	77.6	0	0	0	0	113.3	N371 T372 Y376 F377 F442	N371-S374 WeakPolarHBondContact O-CB 3.26Å; N371-S374 PolarHBondContact O-OG 3.34Å; T372-S374 PolarHBondContact O-N 3.04Å; T372-S374 VanDerWaalsContact O-N 3.16Å; S374-Y376 PolarHBondContact O-N 3.3Å; S374-F377 PolarHBondContact O-N 3.4Å; S374-F442 WeakPolarHBondContact CA-O 3.47Å; S374-F442 WeakPolarHBondContact CB-O 3.37Å
375	E	86.9	Confident	74.4	Confident	32 Å²	32	54.9 Å²	54.9	15%	0.15	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.8	-20.1	175.6	-62.7	-171.9	144.4	0	0	112.5	T372 I373 K438 L441 H504 Y505	T372-E375 WeakPolarHBondContact O-CB 3.33Å; T372-E375 VanDerWaalsContact O-CG 3.32Å; T372-E375 WeakPolarHBondContact O-CG 3.34Å; T372-E375 PolarHBondContact O-N 3.19Å; I373-E375 PolarHBondContact O-N 3.2Å; I373-E375 VanDerWaalsContact O-N 3.14Å; E375-K438 IonicContact OE1-NZ 2.75Å; E375-K438 PolarHBondContact OE1-NZ 3.45Å; E375-L441 HydrophobicContact CG-CD1 4.13Å; E375-H504 CarbonylContact O-C 3.58Å; E375-H504 WeakPolarHBondContact O-CA 3.41Å; E375-H504 IonicContact OE2-NE2 3.43Å; E375-Y505 HydrophobicContact CB-CD1 3.75Å; E375-Y505 HydrophobicContact CB-CE1 3.87Å; E375-Y505 HydrophobicContact CG-CD1 4.16Å; E375-Y505 HydrophobicContact CG-CE1 3.85Å; E375-Y505 PolarHBondContact O-N 2.91Å
376	Y	91.1	Very high	77.6	Confident	47 Å²	47	48.1 Å²	48.1	18%	0.184	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-86.4	-3.7	173.3	-71.3	-92.1	0	0	0	114.2	I373 S374 P378 S502 A503 H504 A509 L511	I373-Y376 HydrophobicContact CG1-CD2 4.34Å; I373-Y376 WeakPolarHBondContact O-CB 3.32Å; I373-Y376 PolarHBondContact O-N 3.32Å; S374-Y376 PolarHBondContact O-N 3.3Å; Y376-P378 WeakPolarHBondContact O-CD 3.42Å; Y376-S502 CarbonylContact O-C 3.55Å; Y376-S502 WeakPolarHBondContact O-CA 3.29Å; Y376-A503 CarbonylContact C-O 3.6Å; Y376-A503 CarbonylContact O-C 3.5Å; Y376-A503 PolarHBondContact O-N 2.72Å; Y376-A503 VanDerWaalsContact O-O 3.11Å; Y376-H504 HydrophobicContact CD1-CB 3.9Å; Y376-H504 HydrophobicContact CE1-CB 3.83Å; Y376-H504 AromaticContact CE2-CD2 3.74Å; Y376-H504 HydrophobicContact CG-CB 4.49Å; Y376-H504 AromaticContact CZ-CD2 3.76Å; Y376-A509 WeakPolarHBondContact CD1-O 3.26Å; Y376-A509 WeakPolarHBondContact CE1-O 3.33Å; Y376-L511 HydrophobicContact CD1-CD2 3.75Å; Y376-L511 HydrophobicContact CD1-CG 3.76Å; Y376-L511 HydrophobicContact CD2-CD2 3.85Å; Y376-L511 HydrophobicContact CD2-CG 4.46Å; Y376-L511 HydrophobicContact CE1-CD2 3.84Å; Y376-L511 HydrophobicContact CE1-CG 4.24Å; Y376-L511 HydrophobicContact CE2-CD2 3.93Å; Y376-L511 HydrophobicContact CG-CD1 4.45Å; Y376-L511 HydrophobicContact CG-CD2 3.75Å; Y376-L511 HydrophobicContact CG-CG 3.88Å
377	F	91.6	Very high	80.5	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.226	C	C	.	.			trans	-126	57.6	-176	-58.7	-72.1	0	0	0	112.4	I373 S374 C379 V382 F442 L447 L498 I501 L511 F519	I373-F377 HydrophobicContact CD1-CE2 4.49Å; I373-F377 HydrophobicContact CG1-CE2 4.24Å; I373-F377 VanDerWaalsContact O-CD2 3.29Å; I373-F377 WeakPolarHBondContact O-CD2 3.24Å; S374-F377 PolarHBondContact O-N 3.4Å; F377-C379 PolarHBondContact O-N 2.99Å; F377-V382 HydrophobicContact CB-CG2 3.83Å; F377-V382 HydrophobicContact CD1-CG2 4.02Å; F377-V382 HydrophobicContact CG-CG2 4.44Å; F377-F442 HydrophobicContact CB-CB 4Å; F377-F442 PolarHBondContact O-N 3.03Å; F377-L447 HydrophobicContact CD1-CD2 3.92Å; F377-L447 HydrophobicContact CD2-CD2 4.24Å; F377-L447 HydrophobicContact CE1-CD2 3.95Å; F377-L447 HydrophobicContact CE2-CD2 4.27Å; F377-L447 HydrophobicContact CG-CD2 4.07Å; F377-L447 HydrophobicContact CZ-CD2 4.13Å; F377-L498 HydrophobicContact CZ-CD2 4.41Å; F377-I501 HydrophobicContact CD1-CG1 4.46Å; F377-I501 HydrophobicContact CE1-CD1 4.45Å; F377-I501 HydrophobicContact CE1-CG1 4.09Å; F377-L511 HydrophobicContact CE2-CD1 4.11Å; F377-L511 HydrophobicContact CZ-CD1 3.71Å; F377-F519 AromaticContact CE2-CE1 4Å; F377-F519 HydrophobicContact CE2-CE1 4Å; F377-F519 HydrophobicContact CE2-CZ 4.41Å; F377-F519 HydrophobicContact CZ-CE1 4.16Å
378	P	90.6	Very high	83.4	Confident	6 Å²	6	40 Å²	40	4%	0.039	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-66.2	132.4	170.1	27.6	-30	0	0	0	110.1	Y376 S380 H381 V382 P439 L441 A503	Y376-P378 WeakPolarHBondContact O-CD 3.42Å; P378-S380 PolarHBondContact O-N 2.94Å; P378-H381 HydrophobicContact CG-CB 3.83Å; P378-H381 PolarHBondContact O-N 2.96Å; P378-V382 WeakPolarHBondContact O-CG2 3.47Å; P378-V382 PolarHBondContact O-N 3.32Å; P378-P439 HydrophobicContact CB-CG 4.16Å; P378-L441 HydrophobicContact CB-CD2 3.84Å; P378-A503 WeakPolarHBondContact CD-O 3.23Å
379	C	88.6	Confident	86	Confident	23 Å²	23	39.2 Å²	39.2	16%	0.155	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-38.9	-176.1	-176.5	0	0	0	0	112.5	F377 H381 V382 M383 L429 A440 F442	F377-C379 PolarHBondContact O-N 2.99Å; C379-H381 PolarHBondContact O-N 3.48Å; C379-V382 PolarHBondContact O-N 3.48Å; C379-M383 WeakPolarHBondContact O-CB 3.37Å; C379-M383 PolarHBondContact O-N 3.45Å; C379-M383 VanDerWaalsContact O-N 3.07Å; C379-L429 HydrophobicContact CB-CD1 4.12Å; C379-A440 HydrophobicContact CB-CB 4.22Å; C379-A440 WeakPolarHBondContact CB-O 3.49Å; C379-A440 PolarHBondContact N-O 3.34Å; C379-F442 HydrophobicContact CB-CD2 4.21Å; C379-F442 HydrophobicContact CB-CE2 3.79Å
380	S	87.5	Confident	87.8	Confident	93 Å²	93	37.7 Å²	37.7	65%	0.65	21%	0.205	S	C	*	.	H	α-helix	trans	-61.1	-24.1	176.1	52.9	0	0	0	0	114.1	P378 P384	P378-S380 PolarHBondContact O-N 2.94Å; S380-P384 VanDerWaalsContact O-CD 3.3Å; S380-P384 WeakPolarHBondContact O-CD 3.43Å; S380-P384 VanDerWaalsContact O-CG 3.3Å; S380-P384 WeakPolarHBondContact O-CG 3.45Å
381	H	92.3	Very high	89.2	Confident	61 Å²	61	40.7 Å²	40.7	28%	0.282	22%	0.219	S	C	.	.	H	α-helix	trans	-96.5	-45.3	174.8	-175.2	77.8	0	0	0	112	P378 C379 M383 P384 A385 I501 A503	P378-H381 HydrophobicContact CG-CB 3.83Å; P378-H381 PolarHBondContact O-N 2.96Å; C379-H381 PolarHBondContact O-N 3.48Å; H381-M383 VanDerWaalsContact C-N 3.32Å; H381-M383 PolarHBondContact O-N 2.99Å; H381-P384 VanDerWaalsContact O-CD 3.31Å; H381-P384 WeakPolarHBondContact O-CD 3.45Å; H381-P384 WeakPolarHBondContact O-CG 3.43Å; H381-A385 VanDerWaalsContact O-CB 3.25Å; H381-A385 WeakPolarHBondContact O-CB 3.44Å; H381-A385 PolarHBondContact O-N 2.93Å; H381-A385 VanDerWaalsContact O-N 3.14Å; H381-I501 PolarHBondContact CD2-O 2.87Å; H381-I501 VanDerWaalsContact CD2-O 3.3Å; H381-A503 VanDerWaalsContact CD2-CB 3.48Å; H381-A503 WeakPolarHBondContact CD2-CB 3.38Å; H381-A503 WeakPolarHBondContact NE2-CB 3.42Å
382	V	93.2	Very high	90.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-42.8	-175.7	172.6	0	0	0	0	111.1	F377 P378 C379 L386 F442 L447 F450	F377-V382 HydrophobicContact CB-CG2 3.83Å; F377-V382 HydrophobicContact CD1-CG2 4.02Å; F377-V382 HydrophobicContact CG-CG2 4.44Å; P378-V382 WeakPolarHBondContact O-CG2 3.47Å; P378-V382 PolarHBondContact O-N 3.32Å; C379-V382 PolarHBondContact O-N 3.48Å; V382-L386 WeakPolarHBondContact O-CB 3.39Å; V382-L386 PolarHBondContact O-N 3.28Å; V382-F442 HydrophobicContact CB-CD2 4.12Å; V382-F442 HydrophobicContact CB-CE2 4.08Å; V382-F442 HydrophobicContact CG1-CD2 4.16Å; V382-F442 HydrophobicContact CG1-CE2 4.01Å; V382-F442 HydrophobicContact CG2-CD2 4.18Å; V382-L447 HydrophobicContact CG1-CD1 4.02Å; V382-F450 HydrophobicContact CG1-CE1 4.42Å
383	M	90.8	Very high	91.5	Very high	62 Å²	62	38.7 Å²	38.7	31%	0.305	21%	0.207	S	C	.	.	H	α-helix	trans	-59.6	-60.5	-177.9	-173.6	69.2	81.6	0	0	112.6	C379 H381 A385 L386 L387 L427 F450	C379-M383 WeakPolarHBondContact O-CB 3.37Å; C379-M383 PolarHBondContact O-N 3.45Å; C379-M383 VanDerWaalsContact O-N 3.07Å; H381-M383 VanDerWaalsContact C-N 3.32Å; H381-M383 PolarHBondContact O-N 2.99Å; M383-A385 VanDerWaalsContact C-N 3.34Å; M383-A385 PolarHBondContact O-N 2.83Å; M383-L386 PolarHBondContact O-N 2.63Å; M383-L387 HydrophobicContact CG-CD1 4.47Å; M383-L387 WeakPolarHBondContact O-CG 3.26Å; M383-L387 PolarHBondContact O-N 3.47Å; M383-L427 HydrophobicContact CE-CD1 4.29Å; M383-F450 HydrophobicContact CE-CE2 4.19Å; M383-F450 HydrophobicContact CE-CZ 3.74Å; M383-F450 HydrophobicContact SD-CZ 3.76Å
384	P	92.4	Very high	92	Very high	73 Å²	73	38.5 Å²	38.5	47%	0.474	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-35.9	179.8	24.6	-34.3	0	0	0	113	S380 H381 L387 K388	S380-P384 VanDerWaalsContact O-CD 3.3Å; S380-P384 WeakPolarHBondContact O-CD 3.43Å; S380-P384 VanDerWaalsContact O-CG 3.3Å; S380-P384 WeakPolarHBondContact O-CG 3.45Å; H381-P384 VanDerWaalsContact O-CD 3.31Å; H381-P384 WeakPolarHBondContact O-CD 3.45Å; H381-P384 WeakPolarHBondContact O-CG 3.43Å; P384-L387 PolarHBondContact O-N 2.92Å; P384-K388 WeakPolarHBondContact O-CB 3.49Å; P384-K388 PolarHBondContact O-N 3Å
385	A	96.2	Very high	92.2	Very high	20 Å²	20	43.7 Å²	43.7	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-40.5	177.2	0	0	0	0	0	112	H381 M383 L389 I501	H381-A385 VanDerWaalsContact O-CB 3.25Å; H381-A385 WeakPolarHBondContact O-CB 3.44Å; H381-A385 PolarHBondContact O-N 2.93Å; H381-A385 VanDerWaalsContact O-N 3.14Å; M383-A385 VanDerWaalsContact C-N 3.34Å; M383-A385 PolarHBondContact O-N 2.83Å; A385-L389 PolarHBondContact O-N 3.49Å; A385-I501 HydrophobicContact CB-CB 4.31Å; A385-I501 HydrophobicContact CB-CG2 4.25Å
386	L	95.2	Very high	92.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-47.9	175.5	178.6	60.8	0	0	0	111.2	V382 M383 K388 L389 L390 F450 F451 I454 L492	V382-L386 WeakPolarHBondContact O-CB 3.39Å; V382-L386 PolarHBondContact O-N 3.28Å; M383-L386 PolarHBondContact O-N 2.63Å; L386-K388 VanDerWaalsContact C-N 3.27Å; L386-K388 PolarHBondContact O-N 3.24Å; L386-L389 WeakPolarHBondContact O-CB 3.5Å; L386-L389 PolarHBondContact O-N 3.02Å; L386-L390 HydrophobicContact CD1-CG 4.36Å; L386-L390 HydrophobicContact CG-CD1 4.32Å; L386-L390 HydrophobicContact CG-CG 4.42Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 2.87Å; L386-F450 HydrophobicContact CD2-CD1 4.13Å; L386-F450 HydrophobicContact CD2-CE1 3.43Å; L386-F450 VanDerWaalsContact CD2-CE1 3.43Å; L386-F450 HydrophobicContact CD2-CZ 3.97Å; L386-F451 HydrophobicContact CD2-CD1 4.39Å; L386-F451 HydrophobicContact CD2-CE1 4.43Å; L386-I454 HydrophobicContact CD2-CG1 4.02Å; L386-L492 HydrophobicContact CD1-CD1 3.6Å; L386-L492 HydrophobicContact CD1-CD2 3.59Å; L386-L492 HydrophobicContact CD1-CG 4.25Å
387	L	93.8	Very high	92.1	Very high	47 Å²	47	48.5 Å²	48.5	25%	0.246	26%	0.258	C	S	.	.	H	α-helix	trans	-55.2	-45.6	177.8	-67.6	-179.4	0	0	0	110.8	M383 P384 L389 L390 E391 F398	M383-L387 HydrophobicContact CG-CD1 4.47Å; M383-L387 WeakPolarHBondContact O-CG 3.26Å; M383-L387 PolarHBondContact O-N 3.47Å; P384-L387 PolarHBondContact O-N 2.92Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L387-L389 PolarHBondContact O-N 3.16Å; L387-L390 HydrophobicContact CD2-CD1 4.32Å; L387-L390 CarbonylContact O-C 3.59Å; L387-L390 WeakPolarHBondContact O-CA 3.3Å; L387-L390 WeakPolarHBondContact O-CB 3.39Å; L387-L390 PolarHBondContact O-N 3.24Å; L387-E391 WeakPolarHBondContact O-CG 3.42Å; L387-E391 PolarHBondContact O-N 3.09Å; L387-F398 HydrophobicContact CB-CD2 4.03Å; L387-F398 HydrophobicContact CB-CG 4.33Å; L387-F398 HydrophobicContact CD1-CB 4.24Å; L387-F398 HydrophobicContact CD1-CG 4.43Å; L387-F398 HydrophobicContact CD2-CD1 3.82Å; L387-F398 HydrophobicContact CD2-CD2 3.97Å; L387-F398 HydrophobicContact CD2-CE1 3.93Å; L387-F398 HydrophobicContact CD2-CE2 4.09Å; L387-F398 HydrophobicContact CD2-CG 3.84Å; L387-F398 HydrophobicContact CD2-CZ 4.06Å; L387-F398 HydrophobicContact CG-CD2 4.49Å; L387-F398 HydrophobicContact CG-CG 4.41Å
388	K	95.1	Very high	91.8	Very high	153 Å²	153	51.5 Å²	51.5	67%	0.665	27%	0.271	S	S	*	.	H	α-helix	trans	-59.2	-38.4	175.5	-172.9	174.2	-176.1	173.5	0	113.6	P384 L386 L390 D392	P384-K388 WeakPolarHBondContact O-CB 3.49Å; P384-K388 PolarHBondContact O-N 3Å; L386-K388 VanDerWaalsContact C-N 3.27Å; L386-K388 PolarHBondContact O-N 3.24Å; K388-L390 VanDerWaalsContact C-N 3.34Å; K388-D392 PolarHBondContact O-N 2.95Å
389	L	94.8	Very high	91.5	Very high	22 Å²	22	56.2 Å²	56.2	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-38.8	173	-74.1	177.5	0	0	0	111.7	A385 L386 L387 D392 M393 L492 H497 A500 I501	A385-L389 PolarHBondContact O-N 3.49Å; L386-L389 WeakPolarHBondContact O-CB 3.5Å; L386-L389 PolarHBondContact O-N 3.02Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L387-L389 PolarHBondContact O-N 3.16Å; L389-D392 PolarHBondContact O-N 3.41Å; L389-M393 HydrophobicContact CB-CE 4.37Å; L389-M393 WeakPolarHBondContact O-CB 3.39Å; L389-M393 VanDerWaalsContact O-CG 3.26Å; L389-M393 WeakPolarHBondContact O-CG 3.24Å; L389-M393 PolarHBondContact O-N 3.13Å; L389-L492 HydrophobicContact CD1-CD2 4.41Å; L389-H497 HydrophobicContact CD1-CB 4.38Å; L389-A500 HydrophobicContact CD1-CB 4.34Å; L389-A500 HydrophobicContact CD2-CB 4.49Å; L389-I501 HydrophobicContact CD1-CG2 3.43Å; L389-I501 VanDerWaalsContact CD1-CG2 3.43Å; L389-I501 HydrophobicContact CG-CG2 4.49Å
390	L	94.8	Very high	90.9	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-40.2	177.2	-62	177.6	0	0	0	111.5	L386 L387 K388 M393 F394 F398 I454 L458 L488	L386-L390 HydrophobicContact CD1-CG 4.36Å; L386-L390 HydrophobicContact CG-CD1 4.32Å; L386-L390 HydrophobicContact CG-CG 4.42Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 2.87Å; L387-L390 HydrophobicContact CD2-CD1 4.32Å; L387-L390 CarbonylContact O-C 3.59Å; L387-L390 WeakPolarHBondContact O-CA 3.3Å; L387-L390 WeakPolarHBondContact O-CB 3.39Å; L387-L390 PolarHBondContact O-N 3.24Å; K388-L390 VanDerWaalsContact C-N 3.34Å; L390-M393 HydrophobicContact CD2-CE 3.8Å; L390-M393 PolarHBondContact O-N 3.47Å; L390-F394 HydrophobicContact CB-CD2 4.3Å; L390-F394 HydrophobicContact CD2-CD2 4.03Å; L390-F394 HydrophobicContact CD2-CE2 3.72Å; L390-F394 WeakPolarHBondContact O-CB 3.34Å; L390-F394 WeakPolarHBondContact O-CD2 3.44Å; L390-F394 PolarHBondContact O-N 3.43Å; L390-F398 HydrophobicContact CB-CE2 3.68Å; L390-F398 HydrophobicContact CB-CZ 4.09Å; L390-F398 HydrophobicContact CD1-CE2 4.3Å; L390-F398 HydrophobicContact CD1-CZ 4.04Å; L390-I454 HydrophobicContact CD1-CG2 3.72Å; L390-I454 HydrophobicContact CD2-CG2 4.29Å; L390-L458 HydrophobicContact CD2-CD1 3.97Å; L390-L488 HydrophobicContact CD2-CD1 4.3Å
391	E	94.3	Very high	90	Very high	64 Å²	64	60.1 Å²	60.1	30%	0.299	31%	0.314	S	S	.	.	H	α-helix	trans	-56.9	-48.6	173.4	-64.8	-179.3	144.9	0	0	111.2	L387 D395 V396 F398	L387-E391 WeakPolarHBondContact O-CG 3.42Å; L387-E391 PolarHBondContact O-N 3.09Å; E391-D395 WeakPolarHBondContact O-CA 3.33Å; E391-D395 PolarHBondContact O-N 2.89Å; E391-V396 WeakPolarHBondContact CA-O 3.1Å; E391-V396 VanDerWaalsContact CB-O 3.27Å; E391-V396 WeakPolarHBondContact CB-O 3.47Å; E391-V396 VanDerWaalsContact CG-O 3.27Å; E391-V396 WeakPolarHBondContact CG-O 3.42Å; E391-F398 HydrophobicContact CG-CD2 3.58Å; E391-F398 HydrophobicContact CG-CE2 4.06Å; E391-F398 PolarHBondContact OE1-N 2.97Å
392	D	92.1	Very high	88.7	Confident	84 Å²	84	59.8 Å²	59.8	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-42.7	178.7	179	69.5	0	0	0	112.9	K388 L389 R626	K388-D392 PolarHBondContact O-N 2.95Å; L389-D392 PolarHBondContact O-N 3.41Å; D392-R626 IonicContact OD2-CZ 3.83Å; D392-R626 IonicContact OD2-NE 2.78Å; D392-R626 IonicContact OD2-NH2 2.9Å; D392-R626 PolarHBondContact OD2-NH2 3.23Å
393	M	93.7	Very high	87.1	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.015	37%	0.371	C	S	.	.	H	α-helix	trans	-72.8	-36	-177.6	-73.6	-171.4	-60.7	0	0	113.1	L389 L390 L491 L492 R626 M630	L389-M393 HydrophobicContact CB-CE 4.37Å; L389-M393 WeakPolarHBondContact O-CB 3.39Å; L389-M393 VanDerWaalsContact O-CG 3.26Å; L389-M393 WeakPolarHBondContact O-CG 3.24Å; L389-M393 PolarHBondContact O-N 3.13Å; L390-M393 HydrophobicContact CD2-CE 3.8Å; L390-M393 PolarHBondContact O-N 3.47Å; M393-L491 HydrophobicContact CE-CD2 4.35Å; M393-L491 HydrophobicContact SD-CD2 3.61Å; M393-L491 HydrophobicContact SD-CG 4.32Å; M393-L492 HydrophobicContact CE-CD2 4.36Å; M393-R626 HydrophobicContact CG-CG 4.18Å; M393-R626 HydrophobicContact SD-CG 4.33Å; M393-M630 HydrophobicContact CB-CB 4.16Å; M393-M630 HydrophobicContact CB-CG 4.25Å; M393-M630 HydrophobicContact CG-CG 4.29Å; M393-M630 WeakPolarHBondContact O-CB 3.46Å; M393-M630 HydrophobicContact SD-CG 4.41Å
394	F	92.2	Very high	85.2	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-112.9	-3	-168.4	-62.1	-59.4	0	0	0	114	L390 V396 L458 L488 M630 F633 K634 L638	L390-F394 HydrophobicContact CB-CD2 4.3Å; L390-F394 HydrophobicContact CD2-CD2 4.03Å; L390-F394 HydrophobicContact CD2-CE2 3.72Å; L390-F394 WeakPolarHBondContact O-CB 3.34Å; L390-F394 WeakPolarHBondContact O-CD2 3.44Å; L390-F394 PolarHBondContact O-N 3.43Å; F394-V396 HydrophobicContact CB-CG1 4.09Å; F394-V396 HydrophobicContact CB-CG2 4.21Å; F394-L458 HydrophobicContact CD2-CD1 4.17Å; F394-L458 HydrophobicContact CE2-CD1 3.68Å; F394-L458 HydrophobicContact CZ-CD1 4.31Å; F394-L488 HydrophobicContact CE2-CD1 4.27Å; F394-L488 HydrophobicContact CZ-CD1 4.33Å; F394-L488 HydrophobicContact CZ-CD2 4.49Å; F394-M630 HydrophobicContact CD1-CE 4.38Å; F394-M630 HydrophobicContact CE1-CE 3.32Å; F394-M630 HydrophobicContact CZ-CE 3.4Å; F394-M630 VanDerWaalsContact CZ-CE 3.4Å; F394-F633 HydrophobicContact CE1-CD1 4.1Å; F394-K634 HydrophobicContact CB-CD 4.3Å; F394-K634 HydrophobicContact CD1-CB 4.06Å; F394-K634 WeakPolarHBondContact O-CD 3.39Å; F394-K634 WeakPolarHBondContact O-CE 3.31Å; F394-K634 PolarHBondContact O-NZ 3.25Å; F394-L638 HydrophobicContact CD1-CD1 3.88Å; F394-L638 HydrophobicContact CE1-CD1 3.59Å; F394-L638 HydrophobicContact CZ-CD1 4.04Å
395	D	89.5	Confident	83.2	Confident	126 Å²	126	73.6 Å²	73.6	67%	0.674	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	62.9	-176.7	-173.6	38.8	0	0	0	110	E391 L631 K634	E391-D395 WeakPolarHBondContact O-CA 3.33Å; E391-D395 PolarHBondContact O-N 2.89Å; D395-L631 HydrophobicContact CB-CD2 3.7Å; D395-K634 PolarHBondContact O-NZ 3.47Å
396	V	88.7	Confident	80.9	Confident	26 Å²	26	80.9 Å²	80.9	16%	0.158	42%	0.417	C	S	.	.			trans	-135.3	164.4	179	-61.1	0	0	0	0	108.7	E391 F394 F398 L462	E391-V396 WeakPolarHBondContact CA-O 3.1Å; E391-V396 VanDerWaalsContact CB-O 3.27Å; E391-V396 WeakPolarHBondContact CB-O 3.47Å; E391-V396 VanDerWaalsContact CG-O 3.27Å; E391-V396 WeakPolarHBondContact CG-O 3.42Å; F394-V396 HydrophobicContact CB-CG1 4.09Å; F394-V396 HydrophobicContact CB-CG2 4.21Å; V396-F398 HydrophobicContact CG2-CD2 4.39Å; V396-F398 HydrophobicContact CG2-CE2 3.66Å; V396-F398 HydrophobicContact CG2-CZ 4.1Å; V396-L462 HydrophobicContact CG1-CD1 4.24Å; V396-L462 HydrophobicContact CG1-CD2 3.74Å
397	Q	86.7	Confident	78.4	Confident	154 Å²	154	90.2 Å²	90.2	72%	0.72	45%	0.452	S	S	*	.			trans	-125.9	133.9	174.1	-66.9	-178.8	1.8	0	0	109.3
398	F	86	Confident	76.2	Confident	63 Å²	63	95 Å²	95	28%	0.276	47%	0.467	S	S	.	.			trans	-103.7	116	170.9	-64.5	-86	0	0	0	109.1	L387 L390 E391 V396 L458	L387-F398 HydrophobicContact CB-CD2 4.03Å; L387-F398 HydrophobicContact CB-CG 4.33Å; L387-F398 HydrophobicContact CD1-CB 4.24Å; L387-F398 HydrophobicContact CD1-CG 4.43Å; L387-F398 HydrophobicContact CD2-CD1 3.82Å; L387-F398 HydrophobicContact CD2-CD2 3.97Å; L387-F398 HydrophobicContact CD2-CE1 3.93Å; L387-F398 HydrophobicContact CD2-CE2 4.09Å; L387-F398 HydrophobicContact CD2-CG 3.84Å; L387-F398 HydrophobicContact CD2-CZ 4.06Å; L387-F398 HydrophobicContact CG-CD2 4.49Å; L387-F398 HydrophobicContact CG-CG 4.41Å; L390-F398 HydrophobicContact CB-CE2 3.68Å; L390-F398 HydrophobicContact CB-CZ 4.09Å; L390-F398 HydrophobicContact CD1-CE2 4.3Å; L390-F398 HydrophobicContact CD1-CZ 4.04Å; E391-F398 HydrophobicContact CG-CD2 3.58Å; E391-F398 HydrophobicContact CG-CE2 4.06Å; E391-F398 PolarHBondContact OE1-N 2.97Å; V396-F398 HydrophobicContact CG2-CD2 4.39Å; V396-F398 HydrophobicContact CG2-CE2 3.66Å; V396-F398 HydrophobicContact CG2-CZ 4.1Å; F398-L458 HydrophobicContact CZ-CD2 4.49Å
399	L	82.8	Confident	73.8	Confident	106 Å²	106	90 Å²	90	56%	0.555	45%	0.451	S	S	*	.			trans	-104.9	131.6	179.3	-57.6	178	0	0	0	109.3	A401	L399-A401 PolarHBondContact O-N 3.41Å
400	D	77	Confident	71.6	Confident	156 Å²	156	96.1 Å²	96.1	83%	0.834	48%	0.484	S	S	*	.			trans	-69.6	122.6	170.2	-168	-17.8	0	0	0	108.9	G402	D400-G402 VanDerWaalsContact C-N 3.3Å; D400-G402 PolarHBondContact OD1-N 3.49Å
401	A	67.6	Low	69.3	Low	42 Å²	42	103.1 Å²	103.1	35%	0.347	52%	0.519	S	S	.	.			trans	-80.4	-14.5	-177.7	0	0	0	0	0	112	L399 A405	L399-A401 PolarHBondContact O-N 3.41Å; A401-A405 HydrophobicContact CB-CB 3.26Å; A401-A405 WeakPolarHBondContact O-CB 3.45Å
402	G	66	Low	67.2	Low	54 Å²	54	103.1 Å²	103.1	56%	0.557	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	60.3	-163.9	-175.9	0	0	0	0	0	113.6	D400 K404	D400-G402 VanDerWaalsContact C-N 3.3Å; D400-G402 PolarHBondContact OD1-N 3.49Å; G402-K404 VanDerWaalsContact C-N 3.29Å; G402-K404 PolarHBondContact O-N 2.94Å
403	E	58.7	Low	65.5	Low	201 Å²	201	106.3 Å²	106.3	94%	0.939	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-73.6	-15.9	-178.7	-64.3	-171	163.3	0	0	114.4
404	K	51.6	Low	64.2	Low	194 Å²	194	108 Å²	108	84%	0.843	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-115	10.1	-165.5	-74.2	-168.6	179.2	-177.6	0	115.6	G402 E406	G402-K404 VanDerWaalsContact C-N 3.29Å; G402-K404 PolarHBondContact O-N 2.94Å; K404-E406 VanDerWaalsContact C-N 3.34Å; K404-E406 PolarHBondContact O-N 3.42Å
405	A	50	Low	63.4	Low	30 Å²	30	111.3 Å²	111.3	25%	0.248	57%	0.571	C	S	.	*			trans	-69.9	89.3	-178.3	0	0	0	0	0	112.3	A401 R407	A401-A405 HydrophobicContact CB-CB 3.26Å; A401-A405 WeakPolarHBondContact O-CB 3.45Å; A405-R407 VanDerWaalsContact C-N 3.27Å
406	E	48.7	Very low	62.9	Low	173 Å²	173	105.6 Å²	105.6	81%	0.808	54%	0.54	S	S	*	.	S	Bend	trans	-73.3	-24.6	165.4	-70	-176.8	170.4	0	0	111	K404	K404-E406 VanDerWaalsContact C-N 3.34Å; K404-E406 PolarHBondContact O-N 3.42Å
407	R	41.3	Very low	62.6	Low	195 Å²	195	104.8 Å²	104.8	74%	0.736	54%	0.535	S	S	*	.	S	Bend	trans	-139.3	142	167.2	-75	-174	177	166.7	1.1	111.3	A405 S409	A405-R407 VanDerWaalsContact C-N 3.27Å; R407-S409 PolarHBondContact O-N 3.15Å
408	W	48.8	Very low	62.3	Low	149 Å²	149	99.5 Å²	99.5	56%	0.564	52%	0.522	S	S	*	.	S	Bend	trans	-73.1	118.8	160.9	-72.9	48.2	0	0	0	106	V412	W408-V412 HydrophobicContact CB-CG2 4.03Å
409	S	44.4	Very low	62.1	Low	48 Å²	48	97.8 Å²	97.8	34%	0.336	51%	0.514	S	S	.	.			trans	7.1	133.2	170.8	176.9	0	0	0	0	117.6	R407 M411 V412	R407-S409 PolarHBondContact O-N 3.15Å; S409-M411 PolarHBondContact O-N 2.99Å; S409-M411 WeakPolarHBondContact OG-CB 3.5Å; S409-M411 PolarHBondContact OG-N 3.48Å; S409-M411 VanDerWaalsContact OG-N 3.14Å; S409-V412 PolarHBondContact O-N 3.39Å
410	D	49.2	Very low	61.8	Low	150 Å²	150	95.1 Å²	95.1	80%	0.802	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-12.5	170.6	-65.6	-30.8	0	0	0	114	V412	D410-V412 VanDerWaalsContact C-N 3.33Å
411	M	45.5	Very low	61.9	Low	148 Å²	148	88.8 Å²	88.8	73%	0.729	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-10	173.5	-61.7	-163.4	-109.4	0	0	115	S409 N413	S409-M411 PolarHBondContact O-N 2.99Å; S409-M411 WeakPolarHBondContact OG-CB 3.5Å; S409-M411 PolarHBondContact OG-N 3.48Å; S409-M411 VanDerWaalsContact OG-N 3.14Å; M411-N413 PolarHBondContact O-N 2.92Å
412	V	50.6	Low	62.3	Low	63 Å²	63	89.4 Å²	89.4	38%	0.382	47%	0.466	S	S	.	.			trans	-75.7	88.2	176.6	-175.7	0	0	0	0	109.9	W408 S409 D410 V414 T420	W408-V412 HydrophobicContact CB-CG2 4.03Å; S409-V412 PolarHBondContact O-N 3.39Å; D410-V412 VanDerWaalsContact C-N 3.33Å; V412-V414 VanDerWaalsContact C-N 3.27Å; V412-V414 PolarHBondContact O-N 3.04Å; V412-T420 HydrophobicContact CG1-CG2 4.26Å
413	N	57.4	Low	63	Low	151 Å²	151	89 Å²	89	81%	0.807	45%	0.453	S	S	*	.			trans	-82.7	12	-177.8	-82.3	-20.6	0	0	0	115	M411	M411-N413 PolarHBondContact O-N 2.92Å
414	V	64.7	Low	63.8	Low	39 Å²	39	84.2 Å²	84.2	24%	0.236	43%	0.427	C	S	.	.			trans	-108.5	117.5	-178.1	178.8	0	0	0	0	109.7	V412 P421 T463	V412-V414 VanDerWaalsContact C-N 3.27Å; V412-V414 PolarHBondContact O-N 3.04Å; V414-P421 HydrophobicContact CG1-CG 4.19Å; V414-P421 WeakPolarHBondContact O-CD 3.12Å; V414-T463 WeakPolarHBondContact CG1-O 3.48Å
415	T	76.7	Confident	65	Low	70 Å²	70	77.7 Å²	77.7	43%	0.429	40%	0.403	S	S	.	.			trans	-125.2	138.5	171.7	63.2	0	0	0	0	110.9	Y419	T415-Y419 CarbonylContact C-O 3.32Å; T415-Y419 WeakPolarHBondContact CA-O 3.43Å
416	V	79.1	Confident	66.1	Low	5 Å²	5	81.5 Å²	81.5	3%	0.03	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-105.6	111	171.8	177.4	0	0	0	0	107.2	G418 Y419 P421 T463 W468 A471	V416-G418 PolarHBondContact O-N 3.37Å; V416-Y419 PolarHBondContact N-O 2.94Å; V416-Y419 WeakPolarHBondContact O-CB 3.33Å; V416-Y419 PolarHBondContact O-N 3.31Å; V416-P421 HydrophobicContact CG2-CG 4Å; V416-T463 HydrophobicContact CG2-CG2 4.05Å; V416-W468 HydrophobicContact CG1-CB 4.13Å; V416-W468 HydrophobicContact CG1-CE3 4.17Å; V416-A471 HydrophobicContact CB-CB 4.42Å; V416-A471 HydrophobicContact CG1-CB 3.8Å; V416-A471 HydrophobicContact CG2-CB 3.65Å
417	V	81.9	Confident	67.2	Low	10 Å²	10	76.2 Å²	76.2	6%	0.061	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	34.7	-175.1	-159.6	0	0	0	0	112.1	E99 M100 A103 Y419 P466 W468	E99-V417 HydrophobicContact CB-CG1 4.35Å; M100-V417 HydrophobicContact CG-CG1 4.25Å; M100-V417 HydrophobicContact SD-CG1 3.38Å; M100-V417 WeakPolarHBondContact SD-CG1 3.21Å; A103-V417 HydrophobicContact CB-CB 3.93Å; A103-V417 HydrophobicContact CB-CG1 3.7Å; V417-Y419 VanDerWaalsContact C-N 3.3Å; V417-Y419 WeakPolarHBondContact O-CD2 3.36Å; V417-Y419 PolarHBondContact O-N 3.1Å; V417-P466 WeakPolarHBondContact CA-O 3.41Å; V417-P466 WeakPolarHBondContact CG2-O 3.3Å; V417-P466 PolarHBondContact N-O 3.2Å; V417-W468 HydrophobicContact CG2-CB 4.32Å
418	G	80	Confident	68.4	Low	42 Å²	42	73.8 Å²	73.8	43%	0.433	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-3.2	-177	0	0	0	0	0	115.4	N46 V416	N46-G418 PolarHBondContact ND2-O 3.45Å; V416-G418 PolarHBondContact O-N 3.37Å
419	Y	81.4	Confident	69.4	Low	28 Å²	28	68.6 Å²	68.6	11%	0.11	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-95.2	143.5	178.3	-73.7	-100.1	0	0	0	112.4	A43 N46 A103 P104 Y107 T415 V416 V417 P421	A43-Y419 WeakPolarHBondContact O-CE1 3.14Å; A43-Y419 VanDerWaalsContact O-CZ 3.23Å; A43-Y419 PolarHBondContact O-OH 2.81Å; N46-Y419 HydrophobicContact CB-CD1 3.84Å; N46-Y419 HydrophobicContact CB-CE1 3.87Å; N46-Y419 HydrophobicContact CB-CG 4.48Å; N46-Y419 WeakPolarHBondContact OD1-CA 3.24Å; N46-Y419 WeakPolarHBondContact OD1-CD1 3.45Å; A103-Y419 HydrophobicContact CB-CD2 3.75Å; A103-Y419 HydrophobicContact CB-CE2 3.47Å; A103-Y419 VanDerWaalsContact CB-CE2 3.47Å; P104-Y419 WeakPolarHBondContact CG-OH 3.45Å; Y107-Y419 AromaticContact CD2-CD1 3.66Å; Y107-Y419 HydrophobicContact CD2-CD1 3.66Å; Y107-Y419 AromaticContact CD2-CE1 3.92Å; Y107-Y419 HydrophobicContact CD2-CE1 3.92Å; Y107-Y419 HydrophobicContact CE2-CD1 4.16Å; Y107-Y419 HydrophobicContact CE2-CE1 4.49Å; Y107-Y419 HydrophobicContact CG-CD1 4.26Å; Y107-Y419 HydrophobicContact CG-CE1 4.08Å; T415-Y419 CarbonylContact C-O 3.32Å; T415-Y419 WeakPolarHBondContact CA-O 3.43Å; V416-Y419 PolarHBondContact N-O 2.94Å; V416-Y419 WeakPolarHBondContact O-CB 3.33Å; V416-Y419 PolarHBondContact O-N 3.31Å; V417-Y419 VanDerWaalsContact C-N 3.3Å; V417-Y419 WeakPolarHBondContact O-CD2 3.36Å; V417-Y419 PolarHBondContact O-N 3.1Å; Y419-P421 WeakPolarHBondContact O-CD 3.29Å
420	T	77.1	Confident	70.2	Confident	50 Å²	50	68.7 Å²	68.7	31%	0.307	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-74.6	125.1	172.6	-55.1	0	0	0	0	108.8	N46 V412 I422	N46-T420 PolarHBondContact ND2-N 3.45Å; N46-T420 PolarHBondContact OD1-N 3.08Å; V412-T420 HydrophobicContact CG1-CG2 4.26Å; T420-I422 PolarHBondContact O-N 3.47Å
421	P	79.6	Confident	70.5	Confident	22 Å²	22	65.9 Å²	65.9	14%	0.143	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-63.5	127.9	176.8	-22.2	33.6	0	0	0	111.4	V414 V416 Y419 L460	V414-P421 HydrophobicContact CG1-CG 4.19Å; V414-P421 WeakPolarHBondContact O-CD 3.12Å; V416-P421 HydrophobicContact CG2-CG 4Å; Y419-P421 WeakPolarHBondContact O-CD 3.29Å; P421-L460 HydrophobicContact CB-CG 4.27Å
422	I	76.5	Confident	70.8	Confident	55 Å²	55	62.6 Å²	62.6	28%	0.282	36%	0.361	S	S	.	.			trans	-123.6	129.5	177	-55.9	161.9	0	0	0	108.6	L48 Y107 T420 Y424	L48-I422 HydrophobicContact CD2-CD1 3.45Å; L48-I422 VanDerWaalsContact CD2-CD1 3.45Å; Y107-I422 HydrophobicContact CE2-CD1 4.49Å; T420-I422 PolarHBondContact O-N 3.47Å; I422-Y424 HydrophobicContact CB-CE2 4.23Å; I422-Y424 HydrophobicContact CG2-CD2 4.14Å; I422-Y424 HydrophobicContact CG2-CE1 4.29Å; I422-Y424 HydrophobicContact CG2-CE2 3.39Å; I422-Y424 VanDerWaalsContact CG2-CZ 3.49Å
423	V	79.9	Confident	70.8	Confident	47 Å²	47	60.9 Å²	60.9	29%	0.285	35%	0.35	S	S	.	.			trans	-116.1	134.4	176.5	177.7	0	0	0	0	110.2	V425 S457 L460 L461	V423-V425 HydrophobicContact CG1-CG2 4.08Å; V423-S457 WeakPolarHBondContact CG1-OG 3.11Å; V423-L460 HydrophobicContact CG2-CB 4.06Å; V423-L460 HydrophobicContact CG2-CD2 3.79Å; V423-L460 HydrophobicContact CG2-CG 4.23Å; V423-L461 HydrophobicContact CB-CD2 4.44Å; V423-L461 HydrophobicContact CB-CG 4.45Å; V423-L461 HydrophobicContact CG2-CD1 4.31Å; V423-L461 HydrophobicContact CG2-CD2 3.95Å; V423-L461 HydrophobicContact CG2-CG 3.79Å
424	Y	76.2	Confident	70.6	Confident	99 Å²	99	60.6 Å²	60.6	39%	0.388	35%	0.347	S	S	.	.			trans	-115	123.6	173.9	-60.9	-88.6	0	0	0	109.6	F51 L114 I422	F51-Y424 VanDerWaalsContact CE2-OH 3.31Å; F51-Y424 WeakPolarHBondContact CE2-OH 3.24Å; F51-Y424 HydrophobicContact CZ-CE1 4.4Å; F51-Y424 AromaticContact CZ-CZ 3.92Å; F51-Y424 WeakPolarHBondContact CZ-OH 3.23Å; L114-Y424 HydrophobicContact CD1-CD1 3.82Å; L114-Y424 HydrophobicContact CD1-CD2 3.95Å; L114-Y424 HydrophobicContact CD1-CG 3.48Å; L114-Y424 VanDerWaalsContact CD1-CG 3.48Å; L114-Y424 HydrophobicContact CD2-CD1 3.64Å; L114-Y424 HydrophobicContact CD2-CD2 3.62Å; L114-Y424 HydrophobicContact CD2-CE1 3.49Å; L114-Y424 VanDerWaalsContact CD2-CE1 3.49Å; L114-Y424 HydrophobicContact CD2-CE2 3.47Å; L114-Y424 VanDerWaalsContact CD2-CE2 3.47Å; L114-Y424 HydrophobicContact CD2-CG 3.7Å; L114-Y424 HydrophobicContact CG-CD1 4.38Å; L114-Y424 HydrophobicContact CG-CD2 4.33Å; L114-Y424 HydrophobicContact CG-CG 4.22Å; I422-Y424 HydrophobicContact CB-CE2 4.23Å; I422-Y424 HydrophobicContact CG2-CD2 4.14Å; I422-Y424 HydrophobicContact CG2-CE1 4.29Å; I422-Y424 HydrophobicContact CG2-CE2 3.39Å; I422-Y424 VanDerWaalsContact CG2-CZ 3.49Å
425	V	76.7	Confident	70.1	Confident	58 Å²	58	70.6 Å²	70.6	35%	0.352	38%	0.381	S	S	.	.			trans	-109.7	110.9	178.2	-176	0	0	0	0	109.1	V423 L427 F450	V423-V425 HydrophobicContact CG1-CG2 4.08Å; V425-L427 HydrophobicContact CG1-CD2 3.8Å; V425-L427 HydrophobicContact CG1-CG 4.29Å; V425-F450 HydrophobicContact CG1-CD2 4.36Å; V425-F450 HydrophobicContact CG1-CE2 4.24Å
426	H	73.1	Confident	69.2	Low	110 Å²	110	69.4 Å²	69.4	51%	0.509	38%	0.382	S	S	.	.			trans	-92.5	118.5	176.1	-61.4	-74.6	0	0	0	110.6	L114 V118	L114-H426 VanDerWaalsContact CD1-CE1 3.49Å; L114-H426 WeakPolarHBondContact CD1-CE1 3.49Å; L114-H426 WeakPolarHBondContact CD1-NE2 3.34Å; V118-H426 WeakPolarHBondContact CG2-CE1 3.22Å
427	L	70.3	Confident	68.7	Low	61 Å²	61	79 Å²	79	32%	0.319	43%	0.427	S	S	.	.			trans	-104.8	118.6	179.9	-57.7	176.8	0	0	0	110	M383 V425 L429 F442 F450	M383-L427 HydrophobicContact CE-CD1 4.29Å; V425-L427 HydrophobicContact CG1-CD2 3.8Å; V425-L427 HydrophobicContact CG1-CG 4.29Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 HydrophobicContact CB-CD1 4.39Å; L427-L429 HydrophobicContact CB-CD2 4.14Å; L427-L429 HydrophobicContact CB-CG 3.93Å; L427-L429 PolarHBondContact O-N 2.65Å; L427-F442 HydrophobicContact CD1-CZ 4.07Å; L427-F450 HydrophobicContact CD1-CE2 4.39Å; L427-F450 HydrophobicContact CD2-CD2 3.54Å; L427-F450 HydrophobicContact CD2-CE2 4.03Å; L427-F450 HydrophobicContact CD2-CG 4.3Å
428	N	67.9	Low	68.2	Low	144 Å²	144	82.4 Å²	82.4	77%	0.77	44%	0.441	S	S	*	.			trans	-87.9	72.8	172.8	-168.9	18.9	0	0	0	110.1	H446	N428-H446 PolarHBondContact O-CE1 2.94Å; N428-H446 VanDerWaalsContact O-CE1 3.31Å
429	L	69.4	Low	68.3	Low	41 Å²	41	82.6 Å²	82.6	22%	0.215	43%	0.434	C	S	.	.			trans	-76.9	151	179.5	-55.7	178.3	0	0	0	110.5	C379 L427 S431 A440 F442	C379-L429 HydrophobicContact CB-CD1 4.12Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 HydrophobicContact CB-CD1 4.39Å; L427-L429 HydrophobicContact CB-CD2 4.14Å; L427-L429 HydrophobicContact CB-CG 3.93Å; L427-L429 PolarHBondContact O-N 2.65Å; L429-S431 PolarHBondContact O-N 2.65Å; L429-A440 HydrophobicContact CD1-CB 3.98Å; L429-F442 HydrophobicContact CD2-CD1 3.84Å; L429-F442 HydrophobicContact CD2-CE1 3.62Å; L429-F442 HydrophobicContact CD2-CG 4.49Å; L429-F442 HydrophobicContact CD2-CZ 4.12Å
430	S	61.4	Low	68.4	Low	50 Å²	50	82.9 Å²	82.9	35%	0.35	44%	0.442	S	S	.	.			trans	-63	135	-175.2	74.3	0	0	0	0	112	S432 N433	S430-S432 PolarHBondContact O-N 2.97Å; S430-S432 PolarHBondContact OG-OG 3.21Å; S430-N433 PolarHBondContact O-N 2.86Å; S430-N433 PolarHBondContact O-ND2 2.96Å; S430-N433 PolarHBondContact OG-ND2 3.02Å
431	S	54.3	Low	68.7	Low	91 Å²	91	81 Å²	81	64%	0.636	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-67.3	-16.7	-179.2	55.3	0	0	0	0	114	L429 N433 I434	L429-S431 PolarHBondContact O-N 2.65Å; S431-N433 PolarHBondContact O-N 3.14Å; S431-I434 PolarHBondContact O-N 2.58Å
432	S	51.8	Low	69	Low	78 Å²	78	80 Å²	80	55%	0.545	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-53.9	-17.1	172.4	56.7	0	0	0	0	113.2	S430	S430-S432 PolarHBondContact O-N 2.97Å; S430-S432 PolarHBondContact OG-OG 3.21Å
433	N	51.9	Low	69.1	Low	27 Å²	27	79.1 Å²	79.1	14%	0.144	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-98.9	-4.6	-177.3	-48.4	-26.9	0	0	0	113	S430 S431 P439 A440 L441	S430-N433 PolarHBondContact O-N 2.86Å; S430-N433 PolarHBondContact O-ND2 2.96Å; S430-N433 PolarHBondContact OG-ND2 3.02Å; S431-N433 PolarHBondContact O-N 3.14Å; N433-P439 VanDerWaalsContact CG-O 3.32Å; N433-A440 HydrophobicContact CB-CB 4.21Å; N433-A440 WeakPolarHBondContact ND2-CA 3.24Å; N433-L441 PolarHBondContact ND2-N 3.06Å
434	I	52.8	Low	69.1	Low	145 Å²	145	78 Å²	78	74%	0.744	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-27.4	179	-58.9	175.3	0	0	0	111	S431	S431-I434 PolarHBondContact O-N 2.58Å
435	R	54.8	Low	69.2	Low	249 Å²	249	75.2 Å²	75.2	94%	0.94	40%	0.401	S	S	*	.	S	Bend	trans	-110.5	-1.6	-178.6	-65.5	-170.4	178.3	-148.2	-0.1	114.3
436	G	58.2	Low	69.5	Low	45 Å²	45	75.1 Å²	75.1	46%	0.464	40%	0.397	S	S	.	.	S	Bend	trans	-115.3	165.8	-164.7	0	0	0	0	0	114.7	K438	G436-K438 PolarHBondContact O-N 2.81Å
437	E	66.8	Low	70.2	Confident	206 Å²	206	70 Å²	70	96%	0.963	37%	0.373	S	S	*	.	S	Bend	trans	-64.3	-14.1	173	-63.1	173.4	169.3	0	0	113.6
438	K	73.1	Confident	71	Confident	82 Å²	82	67.3 Å²	67.3	36%	0.357	36%	0.359	S	S	.	.	S	Bend	trans	-96.2	139.3	-177.4	-64.2	-168.1	-178.8	-168.6	0	111.7	E375 G436 Y505	E375-K438 IonicContact OE1-NZ 2.75Å; E375-K438 PolarHBondContact OE1-NZ 3.45Å; G436-K438 PolarHBondContact O-N 2.81Å; K438-Y505 HydrophobicContact CD-CE2 4.41Å; K438-Y505 VanDerWaalsContact CE-OH 3.24Å; K438-Y505 WeakPolarHBondContact CE-OH 3.36Å; K438-Y505 HydrophobicContact CG-CE2 4.03Å
439	P	80.6	Confident	71.8	Confident	46 Å²	46	64.1 Å²	64.1	30%	0.299	34%	0.342	S	S	.	.			trans	-67.2	169.4	175.1	29.9	-34.7	0	0	0	111.6	P378 N433 L441 Y505	P378-P439 HydrophobicContact CB-CG 4.16Å; N433-P439 VanDerWaalsContact CG-O 3.32Å; P439-L441 HydrophobicContact CG-CD2 4.14Å; P439-L441 WeakPolarHBondContact O-CG 3.45Å; P439-L441 PolarHBondContact O-N 3.38Å; P439-L441 VanDerWaalsContact O-N 3.1Å; P439-Y505 HydrophobicContact CG-CD2 4.04Å; P439-Y505 HydrophobicContact CG-CG 4.2Å
440	A	83.3	Confident	72.8	Confident	34 Å²	34	62.3 Å²	62.3	28%	0.281	33%	0.332	S	S	.	.			trans	-63.7	111.4	175.6	0	0	0	0	0	111.5	C379 L429 N433	C379-A440 HydrophobicContact CB-CB 4.22Å; C379-A440 WeakPolarHBondContact CB-O 3.49Å; C379-A440 PolarHBondContact N-O 3.34Å; L429-A440 HydrophobicContact CD1-CB 3.98Å; N433-A440 HydrophobicContact CB-CB 4.21Å; N433-A440 WeakPolarHBondContact ND2-CA 3.24Å
441	L	84.2	Confident	74.4	Confident	12 Å²	12	60 Å²	60	6%	0.063	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-99.8	142.3	-179	-56.8	-178.3	0	0	0	111.9	E375 P378 N433 P439	E375-L441 HydrophobicContact CG-CD1 4.13Å; P378-L441 HydrophobicContact CB-CD2 3.84Å; N433-L441 PolarHBondContact ND2-N 3.06Å; P439-L441 HydrophobicContact CG-CD2 4.14Å; P439-L441 WeakPolarHBondContact O-CG 3.45Å; P439-L441 PolarHBondContact O-N 3.38Å; P439-L441 VanDerWaalsContact O-N 3.1Å
442	F	85	Confident	76.1	Confident	1 Å²	1	57.9 Å²	57.9	0%	0.004	29%	0.294	C	S	.	.			trans	-82.5	115.8	167.2	-78.4	-78.7	0	0	0	110.3	S374 F377 C379 V382 L427 L429 H446 L447 F450	S374-F442 WeakPolarHBondContact CA-O 3.47Å; S374-F442 WeakPolarHBondContact CB-O 3.37Å; F377-F442 HydrophobicContact CB-CB 4Å; F377-F442 PolarHBondContact O-N 3.03Å; C379-F442 HydrophobicContact CB-CD2 4.21Å; C379-F442 HydrophobicContact CB-CE2 3.79Å; V382-F442 HydrophobicContact CB-CD2 4.12Å; V382-F442 HydrophobicContact CB-CE2 4.08Å; V382-F442 HydrophobicContact CG1-CD2 4.16Å; V382-F442 HydrophobicContact CG1-CE2 4.01Å; V382-F442 HydrophobicContact CG2-CD2 4.18Å; L427-F442 HydrophobicContact CD1-CZ 4.07Å; L429-F442 HydrophobicContact CD2-CD1 3.84Å; L429-F442 HydrophobicContact CD2-CE1 3.62Å; L429-F442 HydrophobicContact CD2-CG 4.49Å; L429-F442 HydrophobicContact CD2-CZ 4.12Å; F442-H446 HydrophobicContact CD1-CB 3.94Å; F442-L447 HydrophobicContact CB-CB 4.22Å; F442-L447 HydrophobicContact CB-CD1 4.22Å; F442-L447 HydrophobicContact CD2-CD1 4.48Å; F442-L447 HydrophobicContact CG-CD1 4.23Å; F442-F450 HydrophobicContact CE1-CB 4.03Å; F442-F450 HydrophobicContact CE1-CD1 4.14Å; F442-F450 HydrophobicContact CE1-CG 4.08Å; F442-F450 HydrophobicContact CE2-CD1 4.49Å; F442-F450 AromaticContact CZ-CD1 3.86Å; F442-F450 HydrophobicContact CZ-CD1 3.86Å; F442-F450 HydrophobicContact CZ-CE1 4.18Å; F442-F450 HydrophobicContact CZ-CG 4.13Å
443	H	80.5	Confident	77.9	Confident	35 Å²	35	58 Å²	58	16%	0.162	29%	0.286	C	S	.	.			trans	-67.1	155.9	158.5	-175.3	-101.7	0	0	0	109.3	N371 D445 H446 L447	N371-H443 PolarHBondContact OD1-CD2 3.02Å; N371-H443 PolarHBondContact OD1-NE2 2.85Å; H443-D445 VanDerWaalsContact C-N 3.27Å; H443-D445 IonicContact CE1-OD1 3.92Å; H443-D445 IonicContact CE1-OD2 3.84Å; H443-D445 IonicContact CG-OD1 3.72Å; H443-D445 IonicContact ND1-OD1 3.06Å; H443-D445 PolarHBondContact ND1-OD1 3.45Å; H443-D445 IonicContact ND1-OD2 3.29Å; H443-D445 PolarHBondContact ND1-OD2 2.95Å; H443-D445 PolarHBondContact O-N 3.27Å; H443-H446 WeakPolarHBondContact O-CB 3.48Å; H443-H446 PolarHBondContact O-N 2.65Å; H443-H446 VanDerWaalsContact O-N 3.1Å; H443-L447 PolarHBondContact O-N 3.09Å
444	W	79.5	Confident	79.8	Confident	23 Å²	23	57.5 Å²	57.5	9%	0.087	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-33.9	-170.2	69.8	-92.8	0	0	0	113.5	F370 L447 I448 F519 I523 Q527	F370-W444 AromaticContact CD1-CD1 3.77Å; F370-W444 HydrophobicContact CD1-CG 4.21Å; F370-W444 AromaticContact CG-CD1 3.84Å; F370-W444 AromaticContact CG-NE1 3.86Å; W444-L447 WeakPolarHBondContact O-CB 3.29Å; W444-L447 PolarHBondContact O-N 3.48Å; W444-I448 HydrophobicContact CE3-CD1 3.61Å; W444-I448 HydrophobicContact CZ3-CD1 3.73Å; W444-I448 WeakPolarHBondContact O-CG1 3.15Å; W444-I448 PolarHBondContact O-N 3.11Å; W444-F519 HydrophobicContact CB-CE2 3.9Å; W444-F519 HydrophobicContact CB-CZ 3.61Å; W444-I523 HydrophobicContact CB-CD1 4.16Å; W444-I523 HydrophobicContact CD2-CD1 4.33Å; W444-I523 HydrophobicContact CD2-CG1 4.26Å; W444-I523 HydrophobicContact CE3-CD1 3.98Å; W444-I523 HydrophobicContact CE3-CG1 4.03Å; W444-I523 HydrophobicContact CE3-CG2 4Å; W444-I523 HydrophobicContact CG-CD1 4.44Å; W444-I523 HydrophobicContact CZ3-CG2 3.84Å; W444-Q527 HydrophobicContact CH2-CG 4.47Å
445	D	77.8	Confident	81.7	Confident	41 Å²	41	50.6 Å²	50.6	22%	0.219	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-37.8	177	60.6	-2.8	0	0	0	111.9	H443 L447 I448 N449	H443-D445 VanDerWaalsContact C-N 3.27Å; H443-D445 IonicContact CE1-OD1 3.92Å; H443-D445 IonicContact CE1-OD2 3.84Å; H443-D445 IonicContact CG-OD1 3.72Å; H443-D445 IonicContact ND1-OD1 3.06Å; H443-D445 PolarHBondContact ND1-OD1 3.45Å; H443-D445 IonicContact ND1-OD2 3.29Å; H443-D445 PolarHBondContact ND1-OD2 2.95Å; H443-D445 PolarHBondContact O-N 3.27Å; D445-L447 VanDerWaalsContact C-N 3.31Å; D445-I448 PolarHBondContact O-N 3.02Å; D445-N449 WeakPolarHBondContact O-CB 3.37Å; D445-N449 VanDerWaalsContact O-CG 3.24Å; D445-N449 PolarHBondContact O-N 3.08Å; D445-N449 PolarHBondContact O-ND2 3.04Å
446	H	83.4	Confident	83.3	Confident	57 Å²	57	42.4 Å²	42.4	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-39.5	172.4	-61.8	173.3	0	0	0	110.3	N428 F442 H443 N449 F450	N428-H446 PolarHBondContact O-CE1 2.94Å; N428-H446 VanDerWaalsContact O-CE1 3.31Å; F442-H446 HydrophobicContact CD1-CB 3.94Å; H443-H446 WeakPolarHBondContact O-CB 3.48Å; H443-H446 PolarHBondContact O-N 2.65Å; H443-H446 VanDerWaalsContact O-N 3.1Å; H446-N449 PolarHBondContact O-N 2.93Å; H446-F450 WeakPolarHBondContact O-CB 3.37Å; H446-F450 PolarHBondContact O-N 2.97Å
447	L	86.7	Confident	84.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-48	176.7	-170.5	67.5	0	0	0	111.6	F377 V382 F442 H443 W444 D445 F450 F451 L498	F377-L447 HydrophobicContact CD1-CD2 3.92Å; F377-L447 HydrophobicContact CD2-CD2 4.24Å; F377-L447 HydrophobicContact CE1-CD2 3.95Å; F377-L447 HydrophobicContact CE2-CD2 4.27Å; F377-L447 HydrophobicContact CG-CD2 4.07Å; F377-L447 HydrophobicContact CZ-CD2 4.13Å; V382-L447 HydrophobicContact CG1-CD1 4.02Å; F442-L447 HydrophobicContact CB-CB 4.22Å; F442-L447 HydrophobicContact CB-CD1 4.22Å; F442-L447 HydrophobicContact CD2-CD1 4.48Å; F442-L447 HydrophobicContact CG-CD1 4.23Å; H443-L447 PolarHBondContact O-N 3.09Å; W444-L447 WeakPolarHBondContact O-CB 3.29Å; W444-L447 PolarHBondContact O-N 3.48Å; D445-L447 VanDerWaalsContact C-N 3.31Å; L447-F450 WeakPolarHBondContact O-CB 3.44Å; L447-F450 PolarHBondContact O-N 2.93Å; L447-F451 HydrophobicContact CD1-CE1 3.67Å; L447-F451 HydrophobicContact CD1-CE2 4.41Å; L447-F451 HydrophobicContact CD1-CZ 3.54Å; L447-F451 HydrophobicContact CD2-CE2 4.21Å; L447-F451 HydrophobicContact CD2-CZ 3.9Å; L447-F451 HydrophobicContact CG-CE1 3.97Å; L447-F451 HydrophobicContact CG-CE2 3.81Å; L447-F451 HydrophobicContact CG-CZ 3.42Å; L447-F451 VanDerWaalsContact CG-CZ 3.42Å; L447-F451 WeakPolarHBondContact O-CD1 3.42Å; L447-F451 VanDerWaalsContact O-CG 3.32Å; L447-F451 WeakPolarHBondContact O-CG 3.36Å; L447-F451 PolarHBondContact O-N 2.72Å; L447-L498 HydrophobicContact CD2-CD2 4.43Å
448	I	87.9	Confident	85.8	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-47.2	175.8	-75	175.7	0	0	0	111.3	W444 D445 F450 F451 R452 E489 M493 I523	W444-I448 HydrophobicContact CE3-CD1 3.61Å; W444-I448 HydrophobicContact CZ3-CD1 3.73Å; W444-I448 WeakPolarHBondContact O-CG1 3.15Å; W444-I448 PolarHBondContact O-N 3.11Å; D445-I448 PolarHBondContact O-N 3.02Å; I448-F450 VanDerWaalsContact C-N 3.28Å; I448-F450 PolarHBondContact O-N 3.33Å; I448-F451 PolarHBondContact O-N 3.1Å; I448-R452 WeakPolarHBondContact O-CG 3.42Å; I448-R452 PolarHBondContact O-N 3.36Å; I448-R452 VanDerWaalsContact O-N 3.11Å; I448-E489 HydrophobicContact CG2-CG 3.99Å; I448-E489 VanDerWaalsContact CG2-OE1 3.23Å; I448-E489 WeakPolarHBondContact CG2-OE1 3.42Å; I448-M493 HydrophobicContact CD1-CE 4.49Å; I448-M493 HydrophobicContact CG1-SD 4.01Å; I448-I523 HydrophobicContact CD1-CD1 4.41Å; I448-I523 HydrophobicContact CD1-CG2 4.01Å
449	N	84.7	Confident	86.6	Confident	77 Å²	77	27.4 Å²	27.4	41%	0.412	14%	0.137	S	C	.	.	H	α-helix	trans	-62.1	-39.6	177.4	-72.8	-35.5	0	0	0	111	D445 H446 F451 R452 E453	D445-N449 WeakPolarHBondContact O-CB 3.37Å; D445-N449 VanDerWaalsContact O-CG 3.24Å; D445-N449 PolarHBondContact O-N 3.08Å; D445-N449 PolarHBondContact O-ND2 3.04Å; H446-N449 PolarHBondContact O-N 2.93Å; N449-F451 PolarHBondContact O-N 3.22Å; N449-R452 WeakPolarHBondContact O-CB 3.48Å; N449-R452 PolarHBondContact O-N 2.65Å; N449-E453 WeakPolarHBondContact O-CG 3.25Å; N449-E453 PolarHBondContact O-N 2.61Å
450	F	90.5	Very high	86.7	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.013	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-43.8	175.9	-179.8	-129.1	0	0	0	111.8	V382 M383 L386 V425 L427 F442 H446 L447 I448 R452 E453 I454	V382-F450 HydrophobicContact CG1-CE1 4.42Å; M383-F450 HydrophobicContact CE-CE2 4.19Å; M383-F450 HydrophobicContact CE-CZ 3.74Å; M383-F450 HydrophobicContact SD-CZ 3.76Å; L386-F450 HydrophobicContact CD2-CD1 4.13Å; L386-F450 HydrophobicContact CD2-CE1 3.43Å; L386-F450 VanDerWaalsContact CD2-CE1 3.43Å; L386-F450 HydrophobicContact CD2-CZ 3.97Å; V425-F450 HydrophobicContact CG1-CD2 4.36Å; V425-F450 HydrophobicContact CG1-CE2 4.24Å; L427-F450 HydrophobicContact CD1-CE2 4.39Å; L427-F450 HydrophobicContact CD2-CD2 3.54Å; L427-F450 HydrophobicContact CD2-CE2 4.03Å; L427-F450 HydrophobicContact CD2-CG 4.3Å; F442-F450 HydrophobicContact CE1-CB 4.03Å; F442-F450 HydrophobicContact CE1-CD1 4.14Å; F442-F450 HydrophobicContact CE1-CG 4.08Å; F442-F450 HydrophobicContact CE2-CD1 4.49Å; F442-F450 AromaticContact CZ-CD1 3.86Å; F442-F450 HydrophobicContact CZ-CD1 3.86Å; F442-F450 HydrophobicContact CZ-CE1 4.18Å; F442-F450 HydrophobicContact CZ-CG 4.13Å; H446-F450 WeakPolarHBondContact O-CB 3.37Å; H446-F450 PolarHBondContact O-N 2.97Å; L447-F450 WeakPolarHBondContact O-CB 3.44Å; L447-F450 PolarHBondContact O-N 2.93Å; I448-F450 VanDerWaalsContact C-N 3.28Å; I448-F450 PolarHBondContact O-N 3.33Å; F450-R452 VanDerWaalsContact C-N 3.33Å; F450-R452 PolarHBondContact O-N 3.28Å; F450-E453 PolarHBondContact O-N 3.4Å; F450-I454 HydrophobicContact CD2-CG1 4.09Å; F450-I454 HydrophobicContact CE1-CG1 4.38Å; F450-I454 HydrophobicContact CE2-CD1 3.72Å; F450-I454 HydrophobicContact CE2-CG1 3.75Å; F450-I454 HydrophobicContact CZ-CD1 3.86Å; F450-I454 HydrophobicContact CZ-CG1 3.89Å; F450-I454 WeakPolarHBondContact O-CG1 3.48Å; F450-I454 PolarHBondContact O-N 3.18Å
451	F	93.7	Very high	86.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-40.1	175.5	-61.1	-19.3	0	0	0	113	L386 L447 I448 N449 I454 G455 L492 M493 I501	L386-F451 HydrophobicContact CD2-CD1 4.39Å; L386-F451 HydrophobicContact CD2-CE1 4.43Å; L447-F451 HydrophobicContact CD1-CE1 3.67Å; L447-F451 HydrophobicContact CD1-CE2 4.41Å; L447-F451 HydrophobicContact CD1-CZ 3.54Å; L447-F451 HydrophobicContact CD2-CE2 4.21Å; L447-F451 HydrophobicContact CD2-CZ 3.9Å; L447-F451 HydrophobicContact CG-CE1 3.97Å; L447-F451 HydrophobicContact CG-CE2 3.81Å; L447-F451 HydrophobicContact CG-CZ 3.42Å; L447-F451 VanDerWaalsContact CG-CZ 3.42Å; L447-F451 WeakPolarHBondContact O-CD1 3.42Å; L447-F451 VanDerWaalsContact O-CG 3.32Å; L447-F451 WeakPolarHBondContact O-CG 3.36Å; L447-F451 PolarHBondContact O-N 2.72Å; I448-F451 PolarHBondContact O-N 3.1Å; N449-F451 PolarHBondContact O-N 3.22Å; F451-I454 PolarHBondContact O-N 2.84Å; F451-G455 PolarHBondContact O-N 3.27Å; F451-L492 HydrophobicContact CB-CD1 3.93Å; F451-L492 HydrophobicContact CD1-CB 4.22Å; F451-L492 HydrophobicContact CD1-CD1 3.53Å; F451-L492 HydrophobicContact CD2-CB 3.63Å; F451-L492 HydrophobicContact CD2-CD1 4.28Å; F451-L492 HydrophobicContact CE1-CB 4.28Å; F451-L492 HydrophobicContact CE1-CD1 4.08Å; F451-L492 HydrophobicContact CE2-CB 3.7Å; F451-L492 HydrophobicContact CG-CB 3.91Å; F451-L492 HydrophobicContact CG-CD1 3.65Å; F451-L492 HydrophobicContact CG-CG 4.44Å; F451-L492 HydrophobicContact CZ-CB 4.03Å; F451-M493 HydrophobicContact CD2-CG 4.39Å; F451-M493 HydrophobicContact CD2-SD 4.42Å; F451-M493 HydrophobicContact CE2-CG 4.4Å; F451-M493 HydrophobicContact CE2-SD 4.01Å; F451-I501 HydrophobicContact CE1-CD1 3.97Å; F451-I501 HydrophobicContact CZ-CD1 3.47Å; F451-I501 VanDerWaalsContact CZ-CD1 3.47Å
452	R	91.9	Very high	87.1	Confident	47 Å²	47	28.9 Å²	28.9	18%	0.177	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-45.3	174.7	-69.1	175.2	-179.9	161.9	6.2	111.8	I448 N449 F450 G455 R456 P485 E489	I448-R452 WeakPolarHBondContact O-CG 3.42Å; I448-R452 PolarHBondContact O-N 3.36Å; I448-R452 VanDerWaalsContact O-N 3.11Å; N449-R452 WeakPolarHBondContact O-CB 3.48Å; N449-R452 PolarHBondContact O-N 2.65Å; F450-R452 VanDerWaalsContact C-N 3.33Å; F450-R452 PolarHBondContact O-N 3.28Å; R452-G455 PolarHBondContact O-N 3.16Å; R452-G455 VanDerWaalsContact O-N 3.16Å; R452-R456 PolarHBondContact O-N 3.3Å; R452-R456 VanDerWaalsContact O-N 3.1Å; R452-P485 HydrophobicContact CB-CB 4Å; R452-P485 HydrophobicContact CG-CB 4.27Å; R452-E489 HydrophobicContact CG-CB 4.18Å; R452-E489 IonicContact CZ-OE1 2.71Å; R452-E489 IonicContact CZ-OE2 3.94Å; R452-E489 IonicContact NE-OE1 3.83Å; R452-E489 IonicContact NE-OE2 3.77Å; R452-E489 PolarHBondContact NE-OE2 3.37Å; R452-E489 IonicContact NH2-OE1 3.68Å; R452-E489 PolarHBondContact NH2-OE1 3.09Å; R452-E489 IonicContact NH2-OE2 3.01Å; R452-E489 PolarHBondContact NH2-OE2 2.92Å
453	E	89.4	Confident	87.2	Confident	82 Å²	82	28.8 Å²	28.8	38%	0.383	14%	0.137	S	C	.	.	H	α-helix	trans	-68.2	-34.9	179.6	-66.3	-50.2	128.8	0	0	112.3	N449 F450 G455 R456 S457	N449-E453 WeakPolarHBondContact O-CG 3.25Å; N449-E453 PolarHBondContact O-N 2.61Å; F450-E453 PolarHBondContact O-N 3.4Å; E453-G455 VanDerWaalsContact C-N 3.33Å; E453-G455 PolarHBondContact O-N 3.05Å; E453-R456 PolarHBondContact O-N 3.06Å; E453-R456 IonicContact OE1-NE 3.49Å; E453-R456 PolarHBondContact OE1-NE 3.28Å; E453-R456 IonicContact OE2-NE 3.27Å; E453-S457 WeakPolarHBondContact O-CB 3.21Å; E453-S457 PolarHBondContact O-N 2.67Å; E453-S457 PolarHBondContact O-OG 2.88Å
454	I	91.7	Very high	87.5	Confident	15 Å²	15	36.3 Å²	36.3	8%	0.077	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-41.9	169.5	-69.4	-64.6	0	0	0	110.9	L386 L390 F450 F451 R456 S457 L458	L386-I454 HydrophobicContact CD2-CG1 4.02Å; L390-I454 HydrophobicContact CD1-CG2 3.72Å; L390-I454 HydrophobicContact CD2-CG2 4.29Å; F450-I454 HydrophobicContact CD2-CG1 4.09Å; F450-I454 HydrophobicContact CE1-CG1 4.38Å; F450-I454 HydrophobicContact CE2-CD1 3.72Å; F450-I454 HydrophobicContact CE2-CG1 3.75Å; F450-I454 HydrophobicContact CZ-CD1 3.86Å; F450-I454 HydrophobicContact CZ-CG1 3.89Å; F450-I454 WeakPolarHBondContact O-CG1 3.48Å; F450-I454 PolarHBondContact O-N 3.18Å; F451-I454 PolarHBondContact O-N 2.84Å; I454-R456 PolarHBondContact O-N 3.02Å; I454-S457 WeakPolarHBondContact O-CB 3.24Å; I454-S457 PolarHBondContact O-N 3.39Å; I454-S457 VanDerWaalsContact O-N 3.17Å; I454-L458 HydrophobicContact CG2-CD1 4.04Å; I454-L458 HydrophobicContact CG2-CG 4.36Å; I454-L458 WeakPolarHBondContact O-CG 3.36Å; I454-L458 PolarHBondContact O-N 3.06Å
455	G	91.3	Very high	87.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56	-47.3	173.6	0	0	0	0	0	113	F451 R452 E453 S457 L458 Q459	F451-G455 PolarHBondContact O-N 3.27Å; R452-G455 PolarHBondContact O-N 3.16Å; R452-G455 VanDerWaalsContact O-N 3.16Å; E453-G455 VanDerWaalsContact C-N 3.33Å; E453-G455 PolarHBondContact O-N 3.05Å; G455-S457 VanDerWaalsContact C-N 3.34Å; G455-S457 PolarHBondContact O-N 3.15Å; G455-L458 PolarHBondContact O-N 3.32Å; G455-Q459 PolarHBondContact O-N 2.93Å
456	R	88.7	Confident	88.2	Confident	78 Å²	78	36.1 Å²	36.1	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-42.7	174.6	-61.7	-174.7	-166.5	-82.9	3.3	112.1	R452 E453 I454 L458 Q459 L460 M482 P485	R452-R456 PolarHBondContact O-N 3.3Å; R452-R456 VanDerWaalsContact O-N 3.1Å; E453-R456 PolarHBondContact O-N 3.06Å; E453-R456 IonicContact OE1-NE 3.49Å; E453-R456 PolarHBondContact OE1-NE 3.28Å; E453-R456 IonicContact OE2-NE 3.27Å; I454-R456 PolarHBondContact O-N 3.02Å; R456-L458 VanDerWaalsContact C-N 3.31Å; R456-L458 PolarHBondContact O-N 2.74Å; R456-Q459 WeakPolarHBondContact O-CB 3.41Å; R456-Q459 PolarHBondContact O-N 2.78Å; R456-L460 PolarHBondContact O-N 2.74Å; R456-M482 PolarHBondContact NH2-SD 3.33Å; R456-P485 HydrophobicContact CG-CG 3.68Å
457	S	88.9	Confident	88.2	Confident	10 Å²	10	33.9 Å²	33.9	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-44	-179.4	-56.8	0	0	0	0	111	V423 E453 I454 G455 Q459 L460 L461	V423-S457 WeakPolarHBondContact CG1-OG 3.11Å; E453-S457 WeakPolarHBondContact O-CB 3.21Å; E453-S457 PolarHBondContact O-N 2.67Å; E453-S457 PolarHBondContact O-OG 2.88Å; I454-S457 WeakPolarHBondContact O-CB 3.24Å; I454-S457 PolarHBondContact O-N 3.39Å; I454-S457 VanDerWaalsContact O-N 3.17Å; G455-S457 VanDerWaalsContact C-N 3.34Å; G455-S457 PolarHBondContact O-N 3.15Å; S457-Q459 VanDerWaalsContact C-N 3.33Å; S457-Q459 PolarHBondContact O-N 3.39Å; S457-L460 PolarHBondContact O-N 2.71Å; S457-L461 WeakPolarHBondContact O-CB 3.4Å; S457-L461 VanDerWaalsContact O-CG 3.26Å; S457-L461 WeakPolarHBondContact O-CG 3.11Å; S457-L461 PolarHBondContact O-N 3.21Å
458	L	90.1	Very high	87.9	Confident	4 Å²	4	38 Å²	38	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-32.6	178.8	-69.8	170.3	0	0	0	113.1	L390 F394 F398 I454 G455 R456 L462 L488 L638	L390-L458 HydrophobicContact CD2-CD1 3.97Å; F394-L458 HydrophobicContact CD2-CD1 4.17Å; F394-L458 HydrophobicContact CE2-CD1 3.68Å; F394-L458 HydrophobicContact CZ-CD1 4.31Å; F398-L458 HydrophobicContact CZ-CD2 4.49Å; I454-L458 HydrophobicContact CG2-CD1 4.04Å; I454-L458 HydrophobicContact CG2-CG 4.36Å; I454-L458 WeakPolarHBondContact O-CG 3.36Å; I454-L458 PolarHBondContact O-N 3.06Å; G455-L458 PolarHBondContact O-N 3.32Å; R456-L458 VanDerWaalsContact C-N 3.31Å; R456-L458 PolarHBondContact O-N 2.74Å; L458-L462 HydrophobicContact CB-CD1 4.44Å; L458-L462 HydrophobicContact CD2-CD1 3.95Å; L458-L462 HydrophobicContact CD2-CG 4.43Å; L458-L462 VanDerWaalsContact O-CB 3.25Å; L458-L462 WeakPolarHBondContact O-CB 3.44Å; L458-L462 WeakPolarHBondContact O-CG 3.21Å; L458-L462 PolarHBondContact O-N 2.9Å; L458-L488 HydrophobicContact CD1-CD1 4.3Å; L458-L488 HydrophobicContact CD1-CG 4.4Å; L458-L638 HydrophobicContact CB-CD1 4.37Å; L458-L638 HydrophobicContact CB-CD2 4.24Å
459	Q	88	Confident	87.4	Confident	3 Å²	3	38.7 Å²	38.7	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-47.3	174.3	-67.2	-177.6	-72	0	0	110.6	G455 R456 S457 T463 V484 L638	G455-Q459 PolarHBondContact O-N 2.93Å; R456-Q459 WeakPolarHBondContact O-CB 3.41Å; R456-Q459 PolarHBondContact O-N 2.78Å; S457-Q459 VanDerWaalsContact C-N 3.33Å; S457-Q459 PolarHBondContact O-N 3.39Å; Q459-T463 WeakPolarHBondContact O-CB 3.48Å; Q459-T463 PolarHBondContact O-N 2.81Å; Q459-T463 VanDerWaalsContact O-N 3.15Å; Q459-V484 HydrophobicContact CG-CB 3.97Å; Q459-V484 HydrophobicContact CG-CG1 3.79Å; Q459-V484 HydrophobicContact CG-CG2 4.05Å; Q459-V484 VanDerWaalsContact NE2-CG2 3.28Å; Q459-L638 HydrophobicContact CG-CD2 3.9Å
460	L	84.4	Confident	87.3	Confident	34 Å²	34	35.2 Å²	35.2	18%	0.178	16%	0.157	C	C	.	.	H	α-helix	trans	-72.3	-38.2	-179.9	-172.3	61	0	0	0	113	P421 V423 R456 S457 T463	P421-L460 HydrophobicContact CB-CG 4.27Å; V423-L460 HydrophobicContact CG2-CB 4.06Å; V423-L460 HydrophobicContact CG2-CD2 3.79Å; V423-L460 HydrophobicContact CG2-CG 4.23Å; R456-L460 PolarHBondContact O-N 2.74Å; S457-L460 PolarHBondContact O-N 2.71Å; L460-T463 VanDerWaalsContact O-CG2 3.3Å; L460-T463 WeakPolarHBondContact O-CG2 3.38Å
461	L	87.2	Confident	86.9	Confident	59 Å²	59	35.1 Å²	35.1	31%	0.309	16%	0.156	S	C	.	.	H	α-helix	trans	-75.6	-29.1	-177	-69.2	171	0	0	0	113.4	V423 S457	V423-L461 HydrophobicContact CB-CD2 4.44Å; V423-L461 HydrophobicContact CB-CG 4.45Å; V423-L461 HydrophobicContact CG2-CD1 4.31Å; V423-L461 HydrophobicContact CG2-CD2 3.95Å; V423-L461 HydrophobicContact CG2-CG 3.79Å; S457-L461 WeakPolarHBondContact O-CB 3.4Å; S457-L461 VanDerWaalsContact O-CG 3.26Å; S457-L461 WeakPolarHBondContact O-CG 3.11Å; S457-L461 PolarHBondContact O-N 3.21Å
462	L	88.4	Confident	86	Confident	30 Å²	30	36.2 Å²	36.2	16%	0.157	16%	0.164	C	C	.	.	H	α-helix	trans	-108.4	-1.3	-174.6	-56.7	-178.8	0	0	0	114	V396 L458 L638 A639	V396-L462 HydrophobicContact CG1-CD1 4.24Å; V396-L462 HydrophobicContact CG1-CD2 3.74Å; L458-L462 HydrophobicContact CB-CD1 4.44Å; L458-L462 HydrophobicContact CD2-CD1 3.95Å; L458-L462 HydrophobicContact CD2-CG 4.43Å; L458-L462 VanDerWaalsContact O-CB 3.25Å; L458-L462 WeakPolarHBondContact O-CB 3.44Å; L458-L462 WeakPolarHBondContact O-CG 3.21Å; L458-L462 PolarHBondContact O-N 2.9Å; L462-L638 CarbonylContact C-O 3.49Å; L462-L638 HydrophobicContact CB-CB 4.14Å; L462-L638 HydrophobicContact CD1-CB 4.47Å; L462-L638 HydrophobicContact CD1-CD1 3.91Å; L462-A639 WeakPolarHBondContact O-CA 3.23Å
463	T	87.5	Confident	84.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.			trans	-55.8	144.4	174	-173.2	0	0	0	0	111.1	V414 V416 Q459 L460 M465 A471 L638 D641	V414-T463 WeakPolarHBondContact CG1-O 3.48Å; V416-T463 HydrophobicContact CG2-CG2 4.05Å; Q459-T463 WeakPolarHBondContact O-CB 3.48Å; Q459-T463 PolarHBondContact O-N 2.81Å; Q459-T463 VanDerWaalsContact O-N 3.15Å; L460-T463 VanDerWaalsContact O-CG2 3.3Å; L460-T463 WeakPolarHBondContact O-CG2 3.38Å; T463-M465 WeakPolarHBondContact OG1-CB 3.2Å; T463-M465 WeakPolarHBondContact OG1-CG 3.24Å; T463-M465 PolarHBondContact OG1-N 2.7Å; T463-M465 VanDerWaalsContact OG1-N 3.07Å; T463-A471 HydrophobicContact CG2-CB 3.78Å; T463-L638 VanDerWaalsContact CA-O 3.24Å; T463-L638 WeakPolarHBondContact CA-O 3.35Å; T463-L638 PolarHBondContact N-O 3.28Å; T463-D641 WeakPolarHBondContact CB-OD1 3.16Å; T463-D641 PolarHBondContact OG1-OD1 3.3Å
464	R	86.1	Confident	83.7	Confident	193 Å²	193	37 Å²	37	73%	0.728	17%	0.171	S	C	*	.			trans	-110.2	12.6	168.4	-61	-176.3	175.1	-171	-5	111.5	A639	R464-A639 WeakPolarHBondContact CB-O 3.42Å; R464-A639 HydrophobicContact CG-CB 4.18Å; R464-A639 PolarHBondContact N-O 3.4Å
465	M	86	Confident	82.5	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.049	18%	0.177	C	C	.	.			trans	-79.3	126.1	-179.1	-62.7	-57.6	-80.6	0	0	110.3	T463 F467 L470 A471 D641	T463-M465 WeakPolarHBondContact OG1-CB 3.2Å; T463-M465 WeakPolarHBondContact OG1-CG 3.24Å; T463-M465 PolarHBondContact OG1-N 2.7Å; T463-M465 VanDerWaalsContact OG1-N 3.07Å; M465-F467 PolarHBondContact O-N 3.34Å; M465-L470 HydrophobicContact CB-CB 4.14Å; M465-L470 HydrophobicContact CE-CB 3.5Å; M465-L470 HydrophobicContact CE-CD1 3.34Å; M465-L470 HydrophobicContact CE-CG 4.03Å; M465-L470 HydrophobicContact CG-CB 4.22Å; M465-A471 HydrophobicContact CB-CB 4.02Å; M465-D641 WeakPolarHBondContact CE-O 3.42Å; M465-D641 WeakPolarHBondContact CG-O 3.48Å; M465-D641 WeakPolarHBondContact CG-OD1 3.25Å; M465-D641 VanDerWaalsContact SD-O 3.4Å
466	P	85.7	Confident	81.9	Confident	50 Å²	50	38.4 Å²	38.4	33%	0.325	18%	0.18	S	C	.	.	S	Bend	trans	-78.1	-5.5	-177.4	31.9	-35.4	0	0	0	113.1	V417	V417-P466 WeakPolarHBondContact CA-O 3.41Å; V417-P466 WeakPolarHBondContact CG2-O 3.3Å; V417-P466 PolarHBondContact N-O 3.2Å
467	F	84	Confident	81.8	Confident	10 Å²	10	36.1 Å²	36.1	4%	0.044	17%	0.173	C	C	.	.	S	Bend	trans	-117.4	132.5	-173.7	-56.5	-62.7	0	0	0	111.6	F91 E96 E99 Q172 L175 M465 E469 L470 A471	F91-F467 HydrophobicContact CE1-CE1 4.29Å; F91-F467 AromaticContact CE1-CZ 3.79Å; F91-F467 HydrophobicContact CE1-CZ 3.79Å; F91-F467 HydrophobicContact CZ-CE2 4.38Å; F91-F467 HydrophobicContact CZ-CZ 4.06Å; E96-F467 HydrophobicContact CG-CE1 4.21Å; E99-F467 HydrophobicContact CB-CD1 4.5Å; E99-F467 HydrophobicContact CG-CD1 4.22Å; Q172-F467 HydrophobicContact CG-CE2 4Å; Q172-F467 HydrophobicContact CG-CZ 4.01Å; L175-F467 HydrophobicContact CB-CD2 4.36Å; L175-F467 HydrophobicContact CD2-CB 4.13Å; L175-F467 HydrophobicContact CD2-CD1 3.95Å; L175-F467 HydrophobicContact CD2-CD2 4.08Å; L175-F467 HydrophobicContact CD2-CE1 4.4Å; L175-F467 HydrophobicContact CD2-CG 3.79Å; M465-F467 PolarHBondContact O-N 3.34Å; F467-E469 PolarHBondContact O-N 3Å; F467-L470 HydrophobicContact CD2-CD1 4.28Å; F467-L470 PolarHBondContact O-N 2.94Å; F467-A471 VanDerWaalsContact O-CB 3.32Å; F467-A471 WeakPolarHBondContact O-CB 3.17Å; F467-A471 PolarHBondContact O-N 3.45Å
468	W	79.3	Confident	81.6	Confident	86 Å²	86	40.5 Å²	40.5	33%	0.326	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.5	-178.3	-177.5	-83.9	0	0	0	112.9	V416 V417 L470 A471	V416-W468 HydrophobicContact CG1-CB 4.13Å; V416-W468 HydrophobicContact CG1-CE3 4.17Å; V417-W468 HydrophobicContact CG2-CB 4.32Å; W468-L470 PolarHBondContact O-N 3.42Å; W468-L470 VanDerWaalsContact O-N 3.15Å; W468-A471 PolarHBondContact O-N 3.47Å
469	E	78.1	Confident	81.6	Confident	22 Å²	22	40.4 Å²	40.4	10%	0.103	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-7.7	-179.3	-68.1	-66.9	169	0	0	114.5	K140 L175 K178 Y179 F467 T475	K140-E469 IonicContact NZ-OE1 2.62Å; K140-E469 PolarHBondContact NZ-OE1 3.38Å; L175-E469 HydrophobicContact CD1-CB 3.58Å; L175-E469 HydrophobicContact CD1-CG 4.19Å; K178-E469 HydrophobicContact CD-CB 4.38Å; K178-E469 PolarHBondContact NZ-O 3.27Å; K178-E469 IonicContact NZ-OE2 2.75Å; K178-E469 PolarHBondContact NZ-OE2 3.15Å; Y179-E469 HydrophobicContact CE1-CG 4.08Å; F467-E469 PolarHBondContact O-N 3Å; E469-T475 WeakPolarHBondContact O-CB 3.11Å; E469-T475 WeakPolarHBondContact O-CG2 3.23Å; E469-T475 PolarHBondContact O-OG1 3.29Å
470	L	83.7	Confident	81.7	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-21.5	177.6	-56.8	179.6	0	0	0	112.9	S171 A174 L175 K178 M465 F467 W468 S472 D641	S171-L470 WeakPolarHBondContact O-CD1 3.45Å; A174-L470 HydrophobicContact CB-CD1 3.89Å; A174-L470 HydrophobicContact CB-CD2 4.48Å; L175-L470 HydrophobicContact CB-CD1 3.99Å; L175-L470 HydrophobicContact CD1-CG 4.4Å; K178-L470 HydrophobicContact CD-CD2 4.29Å; M465-L470 HydrophobicContact CB-CB 4.14Å; M465-L470 HydrophobicContact CE-CB 3.5Å; M465-L470 HydrophobicContact CE-CD1 3.34Å; M465-L470 HydrophobicContact CE-CG 4.03Å; M465-L470 HydrophobicContact CG-CB 4.22Å; F467-L470 HydrophobicContact CD2-CD1 4.28Å; F467-L470 PolarHBondContact O-N 2.94Å; W468-L470 PolarHBondContact O-N 3.42Å; W468-L470 VanDerWaalsContact O-N 3.15Å; L470-S472 VanDerWaalsContact C-N 3.31Å; L470-S472 PolarHBondContact O-N 2.97Å; L470-D641 CarbonylContact O-C 3.48Å
471	A	81.7	Confident	81.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	19%	0.185	C	C	.	.	S	Bend	trans	-80	-5.3	-173.9	0	0	0	0	0	115.2	V416 T463 M465 F467 W468 D641	V416-A471 HydrophobicContact CB-CB 4.42Å; V416-A471 HydrophobicContact CG1-CB 3.8Å; V416-A471 HydrophobicContact CG2-CB 3.65Å; T463-A471 HydrophobicContact CG2-CB 3.78Å; M465-A471 HydrophobicContact CB-CB 4.02Å; F467-A471 VanDerWaalsContact O-CB 3.32Å; F467-A471 WeakPolarHBondContact O-CB 3.17Å; F467-A471 PolarHBondContact O-N 3.45Å; W468-A471 PolarHBondContact O-N 3.47Å; A471-D641 VanDerWaalsContact C-OD2 3.27Å
472	S	73.2	Confident	82.2	Confident	22 Å²	22	37.7 Å²	37.7	15%	0.154	17%	0.174	C	C	.	.	S	Bend	trans	-116.5	136.7	-178.4	173	0	0	0	0	111	L470 E474 T475	L470-S472 VanDerWaalsContact C-N 3.31Å; L470-S472 PolarHBondContact O-N 2.97Å; S472-E474 PolarHBondContact O-N 2.87Å; S472-E474 PolarHBondContact OG-N 3.08Å; S472-T475 WeakPolarHBondContact O-CB 3.46Å; S472-T475 PolarHBondContact O-N 3.3Å; S472-T475 PolarHBondContact O-OG1 3.06Å
473	G	66.1	Low	82.5	Confident	6 Å²	6	36.3 Å²	36.3	6%	0.062	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-56.6	-22.2	171.5	0	0	0	0	0	114.1	T475 L476	G473-T475 PolarHBondContact O-N 3.12Å; G473-L476 PolarHBondContact O-N 3.39Å
474	E	67.5	Low	82.8	Confident	139 Å²	139	36.3 Å²	36.3	65%	0.65	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-66.8	-15.4	175.5	-63.4	-171.3	166.4	0	0	113.5	S472	S472-E474 PolarHBondContact O-N 2.87Å; S472-E474 PolarHBondContact OG-N 3.08Å
475	T	66.5	Low	83.2	Confident	33 Å²	33	27.1 Å²	27.1	20%	0.202	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-99.5	-4.6	-175.4	67.3	0	0	0	0	114.2	E469 S472 G473	E469-T475 WeakPolarHBondContact O-CB 3.11Å; E469-T475 WeakPolarHBondContact O-CG2 3.23Å; E469-T475 PolarHBondContact O-OG1 3.29Å; S472-T475 WeakPolarHBondContact O-CB 3.46Å; S472-T475 PolarHBondContact O-N 3.3Å; S472-T475 PolarHBondContact O-OG1 3.06Å; G473-T475 PolarHBondContact O-N 3.12Å
476	L	79.3	Confident	83.7	Confident	13 Å²	13	27.5 Å²	27.5	7%	0.068	13%	0.133	C	C	.	.	S	Bend	trans	-64.2	168.5	172.8	-63.3	178.4	0	0	0	111.4	G473 R478 V481	G473-L476 PolarHBondContact O-N 3.39Å; L476-R478 PolarHBondContact O-N 3.11Å; L476-V481 HydrophobicContact CB-CG2 4.46Å
477	E	87	Confident	84.3	Confident	30 Å²	30	25.1 Å²	25.1	14%	0.14	12%	0.117	C	C	.	.			trans	-50.2	133.4	168.2	-63.9	95.3	145.1	0	0	109.8	G287 D479 C480 V481 T645 Q646	G287-E477 VanDerWaalsContact O-CG 3.25Å; G287-E477 WeakPolarHBondContact O-CG 3.46Å; E477-D479 VanDerWaalsContact CB-OD1 3.32Å; E477-D479 WeakPolarHBondContact CB-OD1 3.46Å; E477-D479 PolarHBondContact O-N 3.37Å; E477-C480 WeakPolarHBondContact O-CA 3.32Å; E477-C480 PolarHBondContact O-N 2.95Å; E477-V481 PolarHBondContact O-N 2.87Å; E477-T645 VanDerWaalsContact OE1-CA 3.22Å; E477-T645 WeakPolarHBondContact OE1-CA 3.48Å; E477-T645 VanDerWaalsContact OE1-CB 3.29Å; E477-T645 WeakPolarHBondContact OE1-CB 3.39Å; E477-Q646 PolarHBondContact OE1-N 3.42Å; E477-Q646 WeakPolarHBondContact OE2-CB 3.41Å; E477-Q646 WeakPolarHBondContact OE2-CG 3.37Å; E477-Q646 PolarHBondContact OE2-N 3.08Å
478	R	83	Confident	84.8	Confident	102 Å²	102	24.6 Å²	24.6	39%	0.385	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.6	-168.3	-66.5	-173.3	179.3	175.2	0.9	113.7	L476 C480	L476-R478 PolarHBondContact O-N 3.11Å; R478-C480 VanDerWaalsContact C-N 3.29Å
479	D	90.1	Very high	85.6	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.5	176	60.2	-35.4	0	0	0	114.4	R288 M289 A290 E477 Y591 K592 W595 S596	R288-D479 WeakPolarHBondContact CB-OD1 3.35Å; R288-D479 WeakPolarHBondContact CD-OD1 3.47Å; M289-D479 WeakPolarHBondContact CA-OD2 3.04Å; M289-D479 WeakPolarHBondContact CB-OD2 3.2Å; M289-D479 PolarHBondContact N-OD1 3.36Å; M289-D479 VanDerWaalsContact N-OD1 3.11Å; M289-D479 PolarHBondContact N-OD2 3.22Å; A290-D479 WeakPolarHBondContact CB-OD2 3.34Å; A290-D479 PolarHBondContact N-OD2 3.23Å; E477-D479 VanDerWaalsContact CB-OD1 3.32Å; E477-D479 WeakPolarHBondContact CB-OD1 3.46Å; E477-D479 PolarHBondContact O-N 3.37Å; D479-Y591 HydrophobicContact CB-CE2 3.77Å; D479-K592 HydrophobicContact CB-CB 4.27Å; D479-W595 HydrophobicContact CB-CG 4.35Å; D479-S596 PolarHBondContact O-N 2.87Å; D479-S596 PolarHBondContact O-OG 3.17Å
480	C	91.5	Very high	86.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-4	-179.3	-63.4	0	0	0	0	114.8	M289 E477 R478 M482 V483 S596 Q646	M289-C480 WeakPolarHBondContact CB-SG 3.46Å; M289-C480 PolarHBondContact SD-SG 3.41Å; E477-C480 WeakPolarHBondContact O-CA 3.32Å; E477-C480 PolarHBondContact O-N 2.95Å; R478-C480 VanDerWaalsContact C-N 3.29Å; C480-M482 PolarHBondContact O-N 2.98Å; C480-V483 HydrophobicContact CB-CG2 3.98Å; C480-V483 WeakPolarHBondContact O-CB 3.35Å; C480-V483 WeakPolarHBondContact O-CG2 3.4Å; C480-V483 PolarHBondContact O-N 3.1Å; C480-S596 WeakPolarHBondContact CA-OG 3.16Å; C480-Q646 HydrophobicContact CB-CB 3.98Å; C480-Q646 HydrophobicContact CB-CG 3.6Å
481	V	89	Confident	87	Confident	25 Å²	25	19.5 Å²	19.5	15%	0.152	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.7	179.1	174	0	0	0	0	112.3	L476 E477	L476-V481 HydrophobicContact CB-CG2 4.46Å; E477-V481 PolarHBondContact O-N 2.87Å
482	M	92.3	Very high	87.6	Confident	14 Å²	14	19.4 Å²	19.4	7%	0.069	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-0.6	-176.1	-63.8	-69.5	-53.9	0	0	113.9	R456 C480 V484 P485 Y486 Q593 S596	R456-M482 PolarHBondContact NH2-SD 3.33Å; C480-M482 PolarHBondContact O-N 2.98Å; M482-V484 PolarHBondContact O-N 2.85Å; M482-P485 HydrophobicContact CE-CB 3.99Å; M482-P485 HydrophobicContact CE-CG 4.48Å; M482-P485 WeakPolarHBondContact O-CD 3.43Å; M482-P485 HydrophobicContact SD-CG 4.45Å; M482-Y486 HydrophobicContact CB-CD2 3.62Å; M482-Y486 HydrophobicContact CB-CE2 3.48Å; M482-Y486 VanDerWaalsContact CB-CE2 3.48Å; M482-Y486 HydrophobicContact CE-CE2 4.16Å; M482-Y486 HydrophobicContact CG-CE2 4.35Å; M482-Y486 WeakPolarHBondContact O-CB 3.43Å; M482-Y486 WeakPolarHBondContact O-CD2 3.46Å; M482-Y486 PolarHBondContact O-N 2.65Å; M482-Q593 VanDerWaalsContact CG-OE1 3.25Å; M482-S596 VanDerWaalsContact CB-CB 3.49Å; M482-S596 PolarHBondContact N-OG 2.7Å
483	V	94.8	Very high	88.6	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-58.2	-54.1	-178	172	0	0	0	0	111.1	C480 Y486 V487 V599 A600 L603 Y637	C480-V483 HydrophobicContact CB-CG2 3.98Å; C480-V483 WeakPolarHBondContact O-CB 3.35Å; C480-V483 WeakPolarHBondContact O-CG2 3.4Å; C480-V483 PolarHBondContact O-N 3.1Å; V483-Y486 PolarHBondContact O-N 3.07Å; V483-V487 HydrophobicContact CG1-CG2 4.4Å; V483-V487 VanDerWaalsContact O-CG2 3.31Å; V483-V487 WeakPolarHBondContact O-CG2 3.46Å; V483-V487 PolarHBondContact O-N 3.18Å; V483-V599 HydrophobicContact CG1-CG1 3.85Å; V483-V599 HydrophobicContact CG2-CB 3.94Å; V483-V599 HydrophobicContact CG2-CG1 3.8Å; V483-A600 WeakPolarHBondContact O-CB 2.98Å; V483-L603 HydrophobicContact CG1-CD1 3.73Å; V483-Y637 HydrophobicContact CG1-CD1 4.45Å; V483-Y637 HydrophobicContact CG1-CE1 4.05Å
484	V	94.1	Very high	89.9	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-64.7	-46.3	-179.2	177.9	0	0	0	0	112.2	Q459 M482 Y486 V487 L488 F633 Y637 L638	Q459-V484 HydrophobicContact CG-CB 3.97Å; Q459-V484 HydrophobicContact CG-CG1 3.79Å; Q459-V484 HydrophobicContact CG-CG2 4.05Å; Q459-V484 VanDerWaalsContact NE2-CG2 3.28Å; M482-V484 PolarHBondContact O-N 2.85Å; V484-Y486 VanDerWaalsContact C-N 3.31Å; V484-Y486 PolarHBondContact O-N 2.84Å; V484-V487 PolarHBondContact O-N 3.21Å; V484-L488 HydrophobicContact CG1-CD2 3.95Å; V484-L488 WeakPolarHBondContact O-CD2 3.18Å; V484-L488 PolarHBondContact O-N 3.02Å; V484-F633 HydrophobicContact CG1-CE1 4.38Å; V484-F633 HydrophobicContact CG1-CZ 4.34Å; V484-F633 HydrophobicContact CG2-CZ 4.07Å; V484-Y637 HydrophobicContact CG2-CD1 4.22Å; V484-L638 HydrophobicContact CG1-CD2 3.68Å; V484-L638 HydrophobicContact CG2-CD2 4.47Å
485	P	94.8	Very high	91.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-51.2	-45.5	170.7	-31.7	36.7	0	0	0	114.2	R452 R456 M482 L488 E489	R452-P485 HydrophobicContact CB-CB 4Å; R452-P485 HydrophobicContact CG-CB 4.27Å; R456-P485 HydrophobicContact CG-CG 3.68Å; M482-P485 HydrophobicContact CE-CB 3.99Å; M482-P485 HydrophobicContact CE-CG 4.48Å; M482-P485 WeakPolarHBondContact O-CD 3.43Å; M482-P485 HydrophobicContact SD-CG 4.45Å; P485-L488 PolarHBondContact O-N 3.19Å; P485-E489 WeakPolarHBondContact O-CB 3.21Å; P485-E489 PolarHBondContact O-N 3.23Å
486	Y	97	Very high	92.5	Very high	17 Å²	17	11.1 Å²	11.1	7%	0.067	5%	0.049	C	C	.	.	H	α-helix	trans	-72.4	-31.7	178.8	-75.2	-51.2	0	0	0	113.4	M482 V483 V484 E489 N490 Q593 E597 A600	M482-Y486 HydrophobicContact CB-CD2 3.62Å; M482-Y486 HydrophobicContact CB-CE2 3.48Å; M482-Y486 VanDerWaalsContact CB-CE2 3.48Å; M482-Y486 HydrophobicContact CE-CE2 4.16Å; M482-Y486 HydrophobicContact CG-CE2 4.35Å; M482-Y486 WeakPolarHBondContact O-CB 3.43Å; M482-Y486 WeakPolarHBondContact O-CD2 3.46Å; M482-Y486 PolarHBondContact O-N 2.65Å; V483-Y486 PolarHBondContact O-N 3.07Å; V484-Y486 VanDerWaalsContact C-N 3.31Å; V484-Y486 PolarHBondContact O-N 2.84Å; Y486-E489 VanDerWaalsContact CD1-OE2 3.24Å; Y486-E489 WeakPolarHBondContact CD1-OE2 3.39Å; Y486-N490 WeakPolarHBondContact O-CB 3.25Å; Y486-N490 PolarHBondContact O-N 3.26Å; Y486-N490 PolarHBondContact O-ND2 2.96Å; Y486-Q593 WeakPolarHBondContact CE2-O 3.41Å; Y486-Q593 PolarHBondContact OH-OE1 3.48Å; Y486-E597 HydrophobicContact CD1-CB 4.42Å; Y486-E597 HydrophobicContact CD1-CG 4.19Å; Y486-E597 HydrophobicContact CD2-CB 3.81Å; Y486-E597 HydrophobicContact CD2-CG 4.4Å; Y486-E597 HydrophobicContact CE1-CG 4.48Å; Y486-E597 HydrophobicContact CE2-CB 3.95Å; Y486-E597 HydrophobicContact CG-CB 4.08Å; Y486-E597 HydrophobicContact CG-CG 4.16Å; Y486-A600 VanDerWaalsContact CB-CB 3.45Å
487	V	96.9	Very high	93.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-49.7	171.5	168.9	0	0	0	0	109.2	V483 V484 N490 L491 A600 L603 L604 M607 F633	V483-V487 HydrophobicContact CG1-CG2 4.4Å; V483-V487 VanDerWaalsContact O-CG2 3.31Å; V483-V487 WeakPolarHBondContact O-CG2 3.46Å; V483-V487 PolarHBondContact O-N 3.18Å; V484-V487 PolarHBondContact O-N 3.21Å; V487-N490 PolarHBondContact O-N 3.47Å; V487-L491 WeakPolarHBondContact O-CB 3.33Å; V487-L491 PolarHBondContact O-N 3.34Å; V487-A600 HydrophobicContact CB-CB 4.49Å; V487-A600 HydrophobicContact CG2-CB 3.63Å; V487-L603 HydrophobicContact CG2-CB 4.44Å; V487-L603 HydrophobicContact CG2-CD1 4.2Å; V487-L604 HydrophobicContact CG1-CD2 4Å; V487-L604 HydrophobicContact CG1-CG 4.34Å; V487-M607 HydrophobicContact CG1-CE 4.26Å; V487-F633 HydrophobicContact CB-CE2 4.25Å; V487-F633 HydrophobicContact CB-CZ 3.9Å; V487-F633 HydrophobicContact CG1-CD2 4.47Å; V487-F633 HydrophobicContact CG1-CE1 4.09Å; V487-F633 HydrophobicContact CG1-CE2 3.83Å; V487-F633 HydrophobicContact CG1-CZ 3.59Å; V487-F633 HydrophobicContact CG2-CE2 3.94Å; V487-F633 HydrophobicContact CG2-CZ 4.03Å
488	L	95.8	Very high	93.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.4	-42.5	-179.2	-92.5	-61.4	0	0	0	112.2	L390 F394 L458 V484 P485 L491 L492 F633	L390-L488 HydrophobicContact CD2-CD1 4.3Å; F394-L488 HydrophobicContact CE2-CD1 4.27Å; F394-L488 HydrophobicContact CZ-CD1 4.33Å; F394-L488 HydrophobicContact CZ-CD2 4.49Å; L458-L488 HydrophobicContact CD1-CD1 4.3Å; L458-L488 HydrophobicContact CD1-CG 4.4Å; V484-L488 HydrophobicContact CG1-CD2 3.95Å; V484-L488 WeakPolarHBondContact O-CD2 3.18Å; V484-L488 PolarHBondContact O-N 3.02Å; P485-L488 PolarHBondContact O-N 3.19Å; L488-L491 PolarHBondContact O-N 2.62Å; L488-L492 HydrophobicContact CD1-CD1 4.26Å; L488-L492 VanDerWaalsContact O-CB 3.31Å; L488-L492 WeakPolarHBondContact O-CB 3.4Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 2.95Å; L488-F633 HydrophobicContact CD2-CE1 4.35Å
489	E	94.9	Very high	94.1	Very high	3 Å²	3	5.2 Å²	5.2	1%	0.014	3%	0.028	C	C	.	.	H	α-helix	trans	-55.6	-58.4	173	175	-173.9	177.5	0	0	111.2	I448 R452 P485 Y486 L491 L492 M493	I448-E489 HydrophobicContact CG2-CG 3.99Å; I448-E489 VanDerWaalsContact CG2-OE1 3.23Å; I448-E489 WeakPolarHBondContact CG2-OE1 3.42Å; R452-E489 HydrophobicContact CG-CB 4.18Å; R452-E489 IonicContact CZ-OE1 2.71Å; R452-E489 IonicContact CZ-OE2 3.94Å; R452-E489 IonicContact NE-OE1 3.83Å; R452-E489 IonicContact NE-OE2 3.77Å; R452-E489 PolarHBondContact NE-OE2 3.37Å; R452-E489 IonicContact NH2-OE1 3.68Å; R452-E489 PolarHBondContact NH2-OE1 3.09Å; R452-E489 IonicContact NH2-OE2 3.01Å; R452-E489 PolarHBondContact NH2-OE2 2.92Å; P485-E489 WeakPolarHBondContact O-CB 3.21Å; P485-E489 PolarHBondContact O-N 3.23Å; Y486-E489 VanDerWaalsContact CD1-OE2 3.24Å; Y486-E489 WeakPolarHBondContact CD1-OE2 3.39Å; E489-L491 VanDerWaalsContact C-N 3.26Å; E489-L491 PolarHBondContact O-N 3.22Å; E489-L492 PolarHBondContact O-N 2.96Å; E489-M493 HydrophobicContact CG-CG 4.32Å; E489-M493 VanDerWaalsContact O-CB 3.24Å; E489-M493 WeakPolarHBondContact O-CB 3.45Å; E489-M493 WeakPolarHBondContact O-CG 3.41Å; E489-M493 PolarHBondContact O-N 2.78Å
490	N	95.3	Very high	94.3	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-69.5	-25.6	-174.3	-77.8	-77.7	0	0	0	112.8	Y486 V487 Q494 L604	Y486-N490 WeakPolarHBondContact O-CB 3.25Å; Y486-N490 PolarHBondContact O-N 3.26Å; Y486-N490 PolarHBondContact O-ND2 2.96Å; V487-N490 PolarHBondContact O-N 3.47Å; N490-Q494 WeakPolarHBondContact O-CG 3.33Å; N490-Q494 PolarHBondContact O-NE2 3.31Å; N490-L604 HydrophobicContact CB-CD1 3.28Å
491	L	95.6	Very high	94.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-71.1	-50	172.4	-175.5	61.7	0	0	0	111.3	M393 V487 L488 E489 M493 Q494 H497 L604 V609 F622 M630	M393-L491 HydrophobicContact CE-CD2 4.35Å; M393-L491 HydrophobicContact SD-CD2 3.61Å; M393-L491 HydrophobicContact SD-CG 4.32Å; V487-L491 WeakPolarHBondContact O-CB 3.33Å; V487-L491 PolarHBondContact O-N 3.34Å; L488-L491 PolarHBondContact O-N 2.62Å; E489-L491 VanDerWaalsContact C-N 3.26Å; E489-L491 PolarHBondContact O-N 3.22Å; L491-M493 VanDerWaalsContact C-N 3.27Å; L491-M493 PolarHBondContact O-N 3.1Å; L491-Q494 VanDerWaalsContact O-CB 3.29Å; L491-Q494 WeakPolarHBondContact O-CB 3.33Å; L491-Q494 WeakPolarHBondContact O-CG 3.34Å; L491-Q494 PolarHBondContact O-N 3.45Å; L491-Q494 VanDerWaalsContact O-N 3.13Å; L491-H497 PolarHBondContact O-ND1 3.23Å; L491-L604 HydrophobicContact CB-CD2 3.91Å; L491-L604 HydrophobicContact CD1-CD2 4.02Å; L491-L604 HydrophobicContact CG-CD2 4.47Å; L491-V609 HydrophobicContact CD1-CB 3.98Å; L491-V609 HydrophobicContact CD1-CG2 3.9Å; L491-F622 HydrophobicContact CD1-CZ 4.47Å; L491-M630 HydrophobicContact CD2-CE 3.65Å; L491-M630 HydrophobicContact CD2-SD 3.69Å
492	L	95	Very high	94.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-73	-23	-178.1	-67.7	170	0	0	0	112.4	L386 L389 M393 F451 L488 E489 Q494 H497 L498	L386-L492 HydrophobicContact CD1-CD1 3.6Å; L386-L492 HydrophobicContact CD1-CD2 3.59Å; L386-L492 HydrophobicContact CD1-CG 4.25Å; L389-L492 HydrophobicContact CD1-CD2 4.41Å; M393-L492 HydrophobicContact CE-CD2 4.36Å; F451-L492 HydrophobicContact CB-CD1 3.93Å; F451-L492 HydrophobicContact CD1-CB 4.22Å; F451-L492 HydrophobicContact CD1-CD1 3.53Å; F451-L492 HydrophobicContact CD2-CB 3.63Å; F451-L492 HydrophobicContact CD2-CD1 4.28Å; F451-L492 HydrophobicContact CE1-CB 4.28Å; F451-L492 HydrophobicContact CE1-CD1 4.08Å; F451-L492 HydrophobicContact CE2-CB 3.7Å; F451-L492 HydrophobicContact CG-CB 3.91Å; F451-L492 HydrophobicContact CG-CD1 3.65Å; F451-L492 HydrophobicContact CG-CG 4.44Å; F451-L492 HydrophobicContact CZ-CB 4.03Å; L488-L492 HydrophobicContact CD1-CD1 4.26Å; L488-L492 VanDerWaalsContact O-CB 3.31Å; L488-L492 WeakPolarHBondContact O-CB 3.4Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 2.95Å; E489-L492 PolarHBondContact O-N 2.96Å; L492-Q494 PolarHBondContact O-N 3.03Å; L492-H497 HydrophobicContact CD2-CB 4.44Å; L492-H497 WeakPolarHBondContact O-CB 3.43Å; L492-L498 WeakPolarHBondContact O-CG 3.48Å; L492-L498 PolarHBondContact O-N 2.72Å
493	M	93	Very high	94.9	Very high	6 Å²	6	5.4 Å²	5.4	3%	0.03	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.9	170.3	-70.5	-62.4	-64.1	0	0	113.8	I448 F451 E489 L491 L498 R520 I523	I448-M493 HydrophobicContact CD1-CE 4.49Å; I448-M493 HydrophobicContact CG1-SD 4.01Å; F451-M493 HydrophobicContact CD2-CG 4.39Å; F451-M493 HydrophobicContact CD2-SD 4.42Å; F451-M493 HydrophobicContact CE2-CG 4.4Å; F451-M493 HydrophobicContact CE2-SD 4.01Å; E489-M493 HydrophobicContact CG-CG 4.32Å; E489-M493 VanDerWaalsContact O-CB 3.24Å; E489-M493 WeakPolarHBondContact O-CB 3.45Å; E489-M493 WeakPolarHBondContact O-CG 3.41Å; E489-M493 PolarHBondContact O-N 2.78Å; L491-M493 VanDerWaalsContact C-N 3.27Å; L491-M493 PolarHBondContact O-N 3.1Å; M493-L498 HydrophobicContact CE-CD1 4.13Å; M493-L498 VanDerWaalsContact O-CD1 3.25Å; M493-L498 WeakPolarHBondContact O-CD1 3.19Å; M493-L498 HydrophobicContact SD-CD1 4.33Å; M493-L498 HydrophobicContact SD-CD2 3.89Å; M493-R520 HydrophobicContact CE-CG 4.48Å; M493-R520 WeakPolarHBondContact O-CD 3.47Å; M493-I523 HydrophobicContact CE-CD1 3.54Å
494	Q	94.3	Very high	94.8	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.039	C	C	.	.	S	Bend	trans	-66	142.4	171.8	-60	-68.4	-36.6	0	0	110.1	N490 L491 L492 Q496 H497 L498 R520 F622 M667	N490-Q494 WeakPolarHBondContact O-CG 3.33Å; N490-Q494 PolarHBondContact O-NE2 3.31Å; L491-Q494 VanDerWaalsContact O-CB 3.29Å; L491-Q494 WeakPolarHBondContact O-CB 3.33Å; L491-Q494 WeakPolarHBondContact O-CG 3.34Å; L491-Q494 PolarHBondContact O-N 3.45Å; L491-Q494 VanDerWaalsContact O-N 3.13Å; L492-Q494 PolarHBondContact O-N 3.03Å; Q494-Q496 PolarHBondContact O-N 3.09Å; Q494-Q496 VanDerWaalsContact O-N 3.09Å; Q494-H497 PolarHBondContact O-N 3.46Å; Q494-L498 PolarHBondContact O-N 2.88Å; Q494-R520 VanDerWaalsContact OE1-NH1 3.12Å; Q494-F622 HydrophobicContact CB-CE2 3.9Å; Q494-F622 HydrophobicContact CB-CZ 3.77Å; Q494-F622 HydrophobicContact CG-CE2 3.72Å; Q494-F622 HydrophobicContact CG-CZ 3.9Å; Q494-M667 PolarHBondContact NE2-SD 3.28Å
495	P	93.5	Very high	94.5	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-52.9	-37.5	-174.7	-26.6	33.8	0	0	0	114.1	S499 L513 A516 L517	P495-S499 WeakPolarHBondContact O-CB 3.32Å; P495-S499 PolarHBondContact O-N 2.96Å; P495-L513 HydrophobicContact CB-CD2 4.43Å; P495-A516 HydrophobicContact CB-CB 4.15Å; P495-L517 HydrophobicContact CB-CB 4.32Å; P495-L517 HydrophobicContact CG-CB 3.89Å; P495-L517 HydrophobicContact CG-CD1 3.9Å; P495-L517 HydrophobicContact CG-CG 4.47Å
496	Q	94.7	Very high	94.2	Very high	17 Å²	17	13.7 Å²	13.7	8%	0.079	8%	0.079	C	C	.	.	H	α-helix	trans	-62.6	-42.7	178.5	-62.6	79.6	-0.5	0	0	111.8	Q494 A500 L513 S611 V619 F622	Q494-Q496 PolarHBondContact O-N 3.09Å; Q494-Q496 VanDerWaalsContact O-N 3.09Å; Q496-A500 VanDerWaalsContact O-CB 3.29Å; Q496-A500 WeakPolarHBondContact O-CB 3.49Å; Q496-A500 PolarHBondContact O-N 3.34Å; Q496-A500 VanDerWaalsContact O-N 3.12Å; Q496-L513 HydrophobicContact CG-CD2 4.36Å; Q496-S611 PolarHBondContact NE2-OG 3.32Å; Q496-V619 HydrophobicContact CG-CG1 4.29Å; Q496-V619 HydrophobicContact CG-CG2 4.38Å; Q496-F622 HydrophobicContact CB-CD1 3.93Å; Q496-F622 HydrophobicContact CB-CE1 3.81Å; Q496-F622 HydrophobicContact CG-CD1 3.75Å; Q496-F622 HydrophobicContact CG-CE1 4.13Å; Q496-F622 HydrophobicContact CG-CG 4.23Å
497	H	95.2	Very high	93.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-77.9	-42.8	179.5	-66.4	145.3	0	0	0	112.1	L389 L491 L492 Q494 S499 A500 I501 F622 R626	L389-H497 HydrophobicContact CD1-CB 4.38Å; L491-H497 PolarHBondContact O-ND1 3.23Å; L492-H497 HydrophobicContact CD2-CB 4.44Å; L492-H497 WeakPolarHBondContact O-CB 3.43Å; Q494-H497 PolarHBondContact O-N 3.46Å; H497-S499 VanDerWaalsContact C-N 3.32Å; H497-S499 PolarHBondContact O-N 3.26Å; H497-A500 WeakPolarHBondContact O-CB 3.34Å; H497-A500 PolarHBondContact O-N 3.48Å; H497-A500 VanDerWaalsContact O-N 3.1Å; H497-I501 WeakPolarHBondContact O-CG1 3.46Å; H497-I501 PolarHBondContact O-N 3.17Å; H497-F622 AromaticContact CE1-CE1 3.71Å; H497-F622 AromaticContact CE1-CZ 3.52Å; H497-F622 AromaticContact ND1-CZ 3.85Å; H497-F622 AromaticContact NE2-CE1 3.78Å; H497-R626 PolarHBondContact CD2-NH1 2.89Å; H497-R626 WeakPolarHBondContact NE2-CD 3.43Å; H497-R626 PolarHBondContact NE2-NH1 3.14Å
498	L	93.7	Very high	93.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.9	-46.3	175	-78	176.4	0	0	0	111.6	F377 L447 L492 M493 Q494 I501 S502 A516 F519 R520	F377-L498 HydrophobicContact CZ-CD2 4.41Å; L447-L498 HydrophobicContact CD2-CD2 4.43Å; L492-L498 WeakPolarHBondContact O-CG 3.48Å; L492-L498 PolarHBondContact O-N 2.72Å; M493-L498 HydrophobicContact CE-CD1 4.13Å; M493-L498 VanDerWaalsContact O-CD1 3.25Å; M493-L498 WeakPolarHBondContact O-CD1 3.19Å; M493-L498 HydrophobicContact SD-CD1 4.33Å; M493-L498 HydrophobicContact SD-CD2 3.89Å; Q494-L498 PolarHBondContact O-N 2.88Å; L498-I501 WeakPolarHBondContact O-CG1 3.41Å; L498-S502 VanDerWaalsContact O-CB 3.24Å; L498-S502 WeakPolarHBondContact O-CB 3.5Å; L498-S502 PolarHBondContact O-N 3.23Å; L498-S502 VanDerWaalsContact O-N 3.15Å; L498-S502 PolarHBondContact O-OG 2.94Å; L498-A516 HydrophobicContact CB-CB 3.97Å; L498-F519 HydrophobicContact CD1-CD1 4.03Å; L498-F519 HydrophobicContact CD2-CE1 4.38Å; L498-R520 HydrophobicContact CD1-CB 4.43Å
499	S	94.6	Very high	93.6	Very high	20 Å²	20	22 Å²	22	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-44.6	174.4	178.4	0	0	0	0	111.2	P495 H497 I501 S502 L511	P495-S499 WeakPolarHBondContact O-CB 3.32Å; P495-S499 PolarHBondContact O-N 2.96Å; H497-S499 VanDerWaalsContact C-N 3.32Å; H497-S499 PolarHBondContact O-N 3.26Å; S499-I501 PolarHBondContact O-N 3.28Å; S499-S502 PolarHBondContact O-N 3.47Å; S499-S502 PolarHBondContact O-OG 3.48Å; S499-L511 WeakPolarHBondContact CB-O 3.17Å; S499-L511 PolarHBondContact OG-O 3.01Å
500	A	94.9	Very high	93.5	Very high	35 Å²	35	27.1 Å²	27.1	29%	0.289	17%	0.168	S	C	.	.	H	α-helix	trans	-59.8	-40.7	-177.7	0	0	0	0	0	113.7	L389 Q496 H497 K510	L389-A500 HydrophobicContact CD1-CB 4.34Å; L389-A500 HydrophobicContact CD2-CB 4.49Å; Q496-A500 VanDerWaalsContact O-CB 3.29Å; Q496-A500 WeakPolarHBondContact O-CB 3.49Å; Q496-A500 PolarHBondContact O-N 3.34Å; Q496-A500 VanDerWaalsContact O-N 3.12Å; H497-A500 WeakPolarHBondContact O-CB 3.34Å; H497-A500 PolarHBondContact O-N 3.48Å; H497-A500 VanDerWaalsContact O-N 3.1Å; A500-K510 PolarHBondContact O-NZ 2.73Å
501	I	96	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-88.9	-4.3	179.7	69.9	-177.7	0	0	0	113.9	F377 H381 A385 L389 F451 H497 L498 S499	F377-I501 HydrophobicContact CD1-CG1 4.46Å; F377-I501 HydrophobicContact CE1-CD1 4.45Å; F377-I501 HydrophobicContact CE1-CG1 4.09Å; H381-I501 PolarHBondContact CD2-O 2.87Å; H381-I501 VanDerWaalsContact CD2-O 3.3Å; A385-I501 HydrophobicContact CB-CB 4.31Å; A385-I501 HydrophobicContact CB-CG2 4.25Å; L389-I501 HydrophobicContact CD1-CG2 3.43Å; L389-I501 VanDerWaalsContact CD1-CG2 3.43Å; L389-I501 HydrophobicContact CG-CG2 4.49Å; F451-I501 HydrophobicContact CE1-CD1 3.97Å; F451-I501 HydrophobicContact CZ-CD1 3.47Å; F451-I501 VanDerWaalsContact CZ-CD1 3.47Å; H497-I501 WeakPolarHBondContact O-CG1 3.46Å; H497-I501 PolarHBondContact O-N 3.17Å; L498-I501 WeakPolarHBondContact O-CG1 3.41Å; S499-I501 PolarHBondContact O-N 3.28Å
502	S	94.6	Very high	93.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.187	C	C	.	.			trans	-87.3	139.6	179.3	71	0	0	0	0	111.6	Y376 L498 S499 K510 L511	Y376-S502 CarbonylContact O-C 3.55Å; Y376-S502 WeakPolarHBondContact O-CA 3.29Å; L498-S502 VanDerWaalsContact O-CB 3.24Å; L498-S502 WeakPolarHBondContact O-CB 3.5Å; L498-S502 PolarHBondContact O-N 3.23Å; L498-S502 VanDerWaalsContact O-N 3.15Å; L498-S502 PolarHBondContact O-OG 2.94Å; S499-S502 PolarHBondContact O-N 3.47Å; S499-S502 PolarHBondContact O-OG 3.48Å; S502-K510 VanDerWaalsContact O-CG 3.31Å; S502-K510 WeakPolarHBondContact O-CG 3.35Å; S502-L511 WeakPolarHBondContact OG-CB 3.4Å; S502-L511 PolarHBondContact OG-N 3.08Å
503	A	94.3	Very high	93	Very high	9 Å²	9	32 Å²	32	7%	0.074	20%	0.198	C	C	.	.			trans	-158	125.6	164	0	0	0	0	0	109.4	Y376 P378 H381 Y505 A509	Y376-A503 CarbonylContact C-O 3.6Å; Y376-A503 CarbonylContact O-C 3.5Å; Y376-A503 PolarHBondContact O-N 2.72Å; Y376-A503 VanDerWaalsContact O-O 3.11Å; P378-A503 WeakPolarHBondContact CD-O 3.23Å; H381-A503 VanDerWaalsContact CD2-CB 3.48Å; H381-A503 WeakPolarHBondContact CD2-CB 3.38Å; H381-A503 WeakPolarHBondContact NE2-CB 3.42Å; A503-Y505 PolarHBondContact O-N 2.92Å; A503-A509 CarbonylContact C-O 3.4Å; A503-A509 WeakPolarHBondContact CA-O 3.07Å
504	H	92.1	Very high	92.9	Very high	23 Å²	23	37.7 Å²	37.7	11%	0.106	23%	0.225	C	C	.	.			trans	-59.7	128.3	177.6	-166.4	-87.8	0	0	0	110.8	E375 Y376 S506 T507 G508 A509	E375-H504 CarbonylContact O-C 3.58Å; E375-H504 WeakPolarHBondContact O-CA 3.41Å; E375-H504 IonicContact OE2-NE2 3.43Å; Y376-H504 HydrophobicContact CD1-CB 3.9Å; Y376-H504 HydrophobicContact CE1-CB 3.83Å; Y376-H504 AromaticContact CE2-CD2 3.74Å; Y376-H504 HydrophobicContact CG-CB 4.49Å; Y376-H504 AromaticContact CZ-CD2 3.76Å; H504-S506 VanDerWaalsContact C-N 3.25Å; H504-S506 PolarHBondContact CE1-OG 3.32Å; H504-S506 PolarHBondContact ND1-N 2.81Å; H504-S506 PolarHBondContact ND1-OG 3.47Å; H504-S506 PolarHBondContact O-N 3.49Å; H504-S506 VanDerWaalsContact O-N 3.14Å; H504-T507 VanDerWaalsContact CB-OG1 3.25Å; H504-T507 WeakPolarHBondContact CB-OG1 3.36Å; H504-T507 PolarHBondContact ND1-N 3.37Å; H504-T507 PolarHBondContact ND1-OG1 2.78Å; H504-T507 PolarHBondContact O-N 3.16Å; H504-G508 VanDerWaalsContact O-CA 3.3Å; H504-G508 WeakPolarHBondContact O-CA 3.42Å; H504-G508 PolarHBondContact O-N 3.1Å; H504-A509 HydrophobicContact CB-CB 4.36Å; H504-A509 PolarHBondContact N-O 3.16Å
505	Y	87.4	Confident	92.6	Very high	76 Å²	76	41.4 Å²	41.4	30%	0.298	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.1	-170.9	79.1	-79.9	0	0	0	114.2	E375 K438 P439 A503	E375-Y505 HydrophobicContact CB-CD1 3.75Å; E375-Y505 HydrophobicContact CB-CE1 3.87Å; E375-Y505 HydrophobicContact CG-CD1 4.16Å; E375-Y505 HydrophobicContact CG-CE1 3.85Å; E375-Y505 PolarHBondContact O-N 2.91Å; K438-Y505 HydrophobicContact CD-CE2 4.41Å; K438-Y505 VanDerWaalsContact CE-OH 3.24Å; K438-Y505 WeakPolarHBondContact CE-OH 3.36Å; K438-Y505 HydrophobicContact CG-CE2 4.03Å; P439-Y505 HydrophobicContact CG-CD2 4.04Å; P439-Y505 HydrophobicContact CG-CG 4.2Å; A503-Y505 PolarHBondContact O-N 2.92Å
506	S	88.7	Confident	92.5	Very high	78 Å²	78	41.4 Å²	41.4	55%	0.545	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-26.6	-179	64.9	0	0	0	0	114.9	H504	H504-S506 VanDerWaalsContact C-N 3.25Å; H504-S506 PolarHBondContact CE1-OG 3.32Å; H504-S506 PolarHBondContact ND1-N 2.81Å; H504-S506 PolarHBondContact ND1-OG 3.47Å; H504-S506 PolarHBondContact O-N 3.49Å; H504-S506 VanDerWaalsContact O-N 3.14Å
507	T	91.3	Very high	92.2	Very high	98 Å²	98	42.1 Å²	42.1	60%	0.601	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-14.5	-173.9	64.8	0	0	0	0	113	H504 A509	H504-T507 VanDerWaalsContact CB-OG1 3.25Å; H504-T507 WeakPolarHBondContact CB-OG1 3.36Å; H504-T507 PolarHBondContact ND1-N 3.37Å; H504-T507 PolarHBondContact ND1-OG1 2.78Å; H504-T507 PolarHBondContact O-N 3.16Å; T507-A509 PolarHBondContact O-N 3.37Å; T507-A509 WeakPolarHBondContact OG1-CB 3.38Å; T507-A509 PolarHBondContact OG1-N 2.91Å
508	G	91.6	Very high	91.9	Very high	47 Å²	47	44.1 Å²	44.1	49%	0.485	26%	0.257	S	S	.	.			trans	70.5	-0.3	-173.5	0	0	0	0	0	114.6	H504 K510	H504-G508 VanDerWaalsContact O-CA 3.3Å; H504-G508 WeakPolarHBondContact O-CA 3.42Å; H504-G508 PolarHBondContact O-N 3.1Å; G508-K510 PolarHBondContact O-N 2.95Å
509	A	94.1	Very high	91.7	Very high	45 Å²	45	44.2 Å²	44.2	37%	0.372	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-63.8	134.1	-177.9	0	0	0	0	0	111.2	Y376 A503 H504 T507	Y376-A509 WeakPolarHBondContact CD1-O 3.26Å; Y376-A509 WeakPolarHBondContact CE1-O 3.33Å; A503-A509 CarbonylContact C-O 3.4Å; A503-A509 WeakPolarHBondContact CA-O 3.07Å; H504-A509 HydrophobicContact CB-CB 4.36Å; H504-A509 PolarHBondContact N-O 3.16Å; T507-A509 PolarHBondContact O-N 3.37Å; T507-A509 WeakPolarHBondContact OG1-CB 3.38Å; T507-A509 PolarHBondContact OG1-N 2.91Å
510	K	94.3	Very high	91.5	Very high	112 Å²	112	43.6 Å²	43.6	49%	0.487	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-84.2	153.2	173.8	-59.7	-154	166.7	-162	0	110.7	A500 S502 G508 S512	A500-K510 PolarHBondContact O-NZ 2.73Å; S502-K510 VanDerWaalsContact O-CG 3.31Å; S502-K510 WeakPolarHBondContact O-CG 3.35Å; G508-K510 PolarHBondContact O-N 2.95Å; K510-S512 PolarHBondContact O-N 2.76Å
511	L	91.6	Very high	91.3	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-63.8	132.9	165.2	-67.2	171.9	0	0	0	109.2	I373 Y376 F377 S499 S502 E515	I373-L511 HydrophobicContact CD1-CD1 4.13Å; I373-L511 HydrophobicContact CG1-CD1 4.31Å; I373-L511 HydrophobicContact CG1-CD2 4.41Å; Y376-L511 HydrophobicContact CD1-CD2 3.75Å; Y376-L511 HydrophobicContact CD1-CG 3.76Å; Y376-L511 HydrophobicContact CD2-CD2 3.85Å; Y376-L511 HydrophobicContact CD2-CG 4.46Å; Y376-L511 HydrophobicContact CE1-CD2 3.84Å; Y376-L511 HydrophobicContact CE1-CG 4.24Å; Y376-L511 HydrophobicContact CE2-CD2 3.93Å; Y376-L511 HydrophobicContact CG-CD1 4.45Å; Y376-L511 HydrophobicContact CG-CD2 3.75Å; Y376-L511 HydrophobicContact CG-CG 3.88Å; F377-L511 HydrophobicContact CE2-CD1 4.11Å; F377-L511 HydrophobicContact CZ-CD1 3.71Å; S499-L511 WeakPolarHBondContact CB-O 3.17Å; S499-L511 PolarHBondContact OG-O 3.01Å; S502-L511 WeakPolarHBondContact OG-CB 3.4Å; S502-L511 PolarHBondContact OG-N 3.08Å; L511-E515 HydrophobicContact CB-CB 4.44Å; L511-E515 HydrophobicContact CD2-CB 4.13Å
512	S	91.8	Very high	90.9	Very high	54 Å²	54	44.7 Å²	44.7	38%	0.378	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-63.3	159.6	165.9	65.7	0	0	0	0	110.5	K510 E514 E515 A516	K510-S512 PolarHBondContact O-N 2.76Å; S512-E514 PolarHBondContact O-N 3.09Å; S512-E515 WeakPolarHBondContact CB-OE2 3.34Å; S512-E515 PolarHBondContact N-OE2 3.29Å; S512-E515 PolarHBondContact O-N 3.46Å; S512-E515 WeakPolarHBondContact OG-CB 3.45Å; S512-E515 VanDerWaalsContact OG-CD 3.27Å; S512-E515 WeakPolarHBondContact OG-CG 3.5Å; S512-E515 PolarHBondContact OG-N 2.75Å; S512-E515 PolarHBondContact OG-OE2 2.93Å; S512-A516 WeakPolarHBondContact O-CB 3.47Å; S512-A516 PolarHBondContact O-N 2.8Å
513	L	92.1	Very high	90.5	Very high	44 Å²	44	44.8 Å²	44.8	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-60.8	-32.3	177.1	-67.3	176.2	0	0	0	112.3	P495 Q496 L517 T614 V619	P495-L513 HydrophobicContact CB-CD2 4.43Å; Q496-L513 HydrophobicContact CG-CD2 4.36Å; L513-L517 WeakPolarHBondContact O-CB 3.33Å; L513-L517 PolarHBondContact O-N 3.46Å; L513-T614 HydrophobicContact CB-CG2 3.88Å; L513-V619 HydrophobicContact CD1-CG2 3.52Å
514	E	89.2	Confident	90.3	Very high	126 Å²	126	45 Å²	45	59%	0.589	25%	0.25	S	C	*	.	H	α-helix	trans	-71.5	-44.5	177.2	-171.8	170	-173.9	0	0	111.8	S512 A516 L517 N518	S512-E514 PolarHBondContact O-N 3.09Å; E514-A516 VanDerWaalsContact C-N 3.34Å; E514-A516 PolarHBondContact O-N 2.96Å; E514-L517 PolarHBondContact O-N 3.37Å; E514-N518 WeakPolarHBondContact O-CB 3.49Å; E514-N518 PolarHBondContact O-N 2.73Å; E514-N518 PolarHBondContact O-ND2 2.84Å
515	E	88.9	Confident	90.2	Very high	79 Å²	79	45.1 Å²	45.1	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-43.5	173.4	-71.8	164.5	135.1	0	0	111.4	Y351 L511 S512 L517 N518 F519	Y351-E515 PolarHBondContact OH-O 2.76Å; L511-E515 HydrophobicContact CB-CB 4.44Å; L511-E515 HydrophobicContact CD2-CB 4.13Å; S512-E515 WeakPolarHBondContact CB-OE2 3.34Å; S512-E515 PolarHBondContact N-OE2 3.29Å; S512-E515 PolarHBondContact O-N 3.46Å; S512-E515 WeakPolarHBondContact OG-CB 3.45Å; S512-E515 VanDerWaalsContact OG-CD 3.27Å; S512-E515 WeakPolarHBondContact OG-CG 3.5Å; S512-E515 PolarHBondContact OG-N 2.75Å; S512-E515 PolarHBondContact OG-OE2 2.93Å; E515-L517 VanDerWaalsContact C-N 3.35Å; E515-L517 PolarHBondContact O-N 3.09Å; E515-N518 PolarHBondContact O-N 3.27Å; E515-F519 WeakPolarHBondContact O-CB 3.41Å; E515-F519 PolarHBondContact O-N 3.03Å
516	A	90.9	Very high	90.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-40.2	176.4	0	0	0	0	0	112.3	P495 L498 S512 E514 R520	P495-A516 HydrophobicContact CB-CB 4.15Å; L498-A516 HydrophobicContact CB-CB 3.97Å; S512-A516 WeakPolarHBondContact O-CB 3.47Å; S512-A516 PolarHBondContact O-N 2.8Å; E514-A516 VanDerWaalsContact C-N 3.34Å; E514-A516 PolarHBondContact O-N 2.96Å; A516-R520 PolarHBondContact O-N 3.26Å; A516-R520 VanDerWaalsContact O-N 3.09Å
517	L	89.9	Confident	90.1	Very high	33 Å²	33	39.4 Å²	39.4	17%	0.173	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-45.4	174.5	178.6	60.9	0	0	0	111.8	P495 L513 E514 E515 F519 R520 K521 T614 F669	P495-L517 HydrophobicContact CB-CB 4.32Å; P495-L517 HydrophobicContact CG-CB 3.89Å; P495-L517 HydrophobicContact CG-CD1 3.9Å; P495-L517 HydrophobicContact CG-CG 4.47Å; L513-L517 WeakPolarHBondContact O-CB 3.33Å; L513-L517 PolarHBondContact O-N 3.46Å; E514-L517 PolarHBondContact O-N 3.37Å; E515-L517 VanDerWaalsContact C-N 3.35Å; E515-L517 PolarHBondContact O-N 3.09Å; L517-F519 VanDerWaalsContact C-N 3.31Å; L517-F519 PolarHBondContact O-N 2.87Å; L517-R520 PolarHBondContact O-N 3.34Å; L517-K521 HydrophobicContact CD1-CG 4.43Å; L517-K521 HydrophobicContact CG-CD 4.31Å; L517-K521 WeakPolarHBondContact O-CG 3.13Å; L517-K521 PolarHBondContact O-N 3.39Å; L517-T614 HydrophobicContact CB-CG2 4.47Å; L517-T614 HydrophobicContact CD2-CG2 4.05Å; L517-F669 HydrophobicContact CD1-CZ 4.12Å
518	N	88.3	Confident	90.1	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-39	177.7	-74.4	-18.9	0	0	0	111.4	Y351 E514 E515 K521 A522	Y351-N518 HydrophobicContact CE2-CB 4.37Å; E514-N518 WeakPolarHBondContact O-CB 3.49Å; E514-N518 PolarHBondContact O-N 2.73Å; E514-N518 PolarHBondContact O-ND2 2.84Å; E515-N518 PolarHBondContact O-N 3.27Å; N518-K521 PolarHBondContact O-N 3.37Å; N518-A522 WeakPolarHBondContact O-CB 3.17Å; N518-A522 PolarHBondContact O-N 3.17Å
519	F	88.9	Confident	90	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-49.8	174.4	172.8	-136.5	0	0	0	111.7	Y351 F370 I373 F377 W444 L498 E515 L517 K521 A522 I523	Y351-F519 VanDerWaalsContact OH-CA 3.24Å; Y351-F519 WeakPolarHBondContact OH-CA 3.32Å; Y351-F519 WeakPolarHBondContact OH-CB 3.47Å; Y351-F519 PolarHBondContact OH-N 3.4Å; Y351-F519 VanDerWaalsContact OH-N 3.07Å; F370-F519 HydrophobicContact CD1-CD2 4.25Å; F370-F519 AromaticContact CD1-CE2 3.85Å; F370-F519 HydrophobicContact CD1-CE2 3.85Å; F370-F519 AromaticContact CE1-CD2 3.98Å; F370-F519 HydrophobicContact CE1-CD2 3.98Å; F370-F519 AromaticContact CE1-CE2 3.87Å; F370-F519 HydrophobicContact CE1-CE2 3.87Å; I373-F519 HydrophobicContact CD1-CB 3.52Å; I373-F519 HydrophobicContact CD1-CD1 3.59Å; I373-F519 HydrophobicContact CD1-CD2 3.24Å; I373-F519 HydrophobicContact CD1-CE1 4.03Å; I373-F519 HydrophobicContact CD1-CE2 3.71Å; I373-F519 HydrophobicContact CD1-CG 3.16Å; I373-F519 HydrophobicContact CD1-CZ 4.06Å; I373-F519 HydrophobicContact CG1-CD2 4.48Å; I373-F519 HydrophobicContact CG2-CD2 4.04Å; I373-F519 HydrophobicContact CG2-CE2 3.5Å; I373-F519 HydrophobicContact CG2-CZ 3.89Å; F377-F519 AromaticContact CE2-CE1 4Å; F377-F519 HydrophobicContact CE2-CE1 4Å; F377-F519 HydrophobicContact CE2-CZ 4.41Å; F377-F519 HydrophobicContact CZ-CE1 4.16Å; W444-F519 HydrophobicContact CB-CE2 3.9Å; W444-F519 HydrophobicContact CB-CZ 3.61Å; L498-F519 HydrophobicContact CD1-CD1 4.03Å; L498-F519 HydrophobicContact CD2-CE1 4.38Å; E515-F519 WeakPolarHBondContact O-CB 3.41Å; E515-F519 PolarHBondContact O-N 3.03Å; L517-F519 VanDerWaalsContact C-N 3.31Å; L517-F519 PolarHBondContact O-N 2.87Å; F519-K521 PolarHBondContact O-N 3.42Å; F519-A522 WeakPolarHBondContact O-CB 3.45Å; F519-A522 PolarHBondContact O-N 2.89Å; F519-I523 HydrophobicContact CD1-CD1 4.38Å; F519-I523 HydrophobicContact CD2-CD1 3.88Å; F519-I523 HydrophobicContact CD2-CG1 4.19Å; F519-I523 HydrophobicContact CE1-CD1 3.92Å; F519-I523 HydrophobicContact CE2-CD1 3.34Å; F519-I523 HydrophobicContact CE2-CG1 3.88Å; F519-I523 HydrophobicContact CG-CD1 4.38Å; F519-I523 HydrophobicContact CZ-CD1 3.39Å; F519-I523 HydrophobicContact CZ-CG1 4.4Å; F519-I523 PolarHBondContact O-N 3.03Å
520	R	89.9	Confident	89.6	Confident	8 Å²	8	34.7 Å²	34.7	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-48.2	175.8	-179.6	-166.6	171.4	154.4	-2.6	111.5	M493 Q494 L498 A516 L517 A522 I523 Q524 M667 F669	M493-R520 HydrophobicContact CE-CG 4.48Å; M493-R520 WeakPolarHBondContact O-CD 3.47Å; Q494-R520 VanDerWaalsContact OE1-NH1 3.12Å; L498-R520 HydrophobicContact CD1-CB 4.43Å; A516-R520 PolarHBondContact O-N 3.26Å; A516-R520 VanDerWaalsContact O-N 3.09Å; L517-R520 PolarHBondContact O-N 3.34Å; R520-A522 VanDerWaalsContact C-N 3.28Å; R520-A522 PolarHBondContact O-N 3.41Å; R520-I523 PolarHBondContact O-N 3.29Å; R520-Q524 WeakPolarHBondContact O-CG 3.37Å; R520-Q524 PolarHBondContact O-N 3.24Å; R520-M667 PolarHBondContact NH2-O 3.37Å; R520-M667 PolarHBondContact NH2-SD 3.27Å; R520-F669 HydrophobicContact CG-CE2 4.31Å
521	K	90.6	Very high	89.5	Confident	57 Å²	57	29.5 Å²	29.5	25%	0.248	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-38.3	178.3	-74.1	177.6	178.3	175.2	0	111.9	Y349 L517 N518 F519 Q524 A525 F669	Y349-K521 HydrophobicContact CD1-CB 4.01Å; Y349-K521 HydrophobicContact CD1-CD 4.38Å; Y349-K521 HydrophobicContact CD2-CB 4.36Å; Y349-K521 HydrophobicContact CE1-CB 3.6Å; Y349-K521 HydrophobicContact CE1-CD 3.75Å; Y349-K521 HydrophobicContact CE1-CG 4.29Å; Y349-K521 HydrophobicContact CE2-CB 3.95Å; Y349-K521 HydrophobicContact CG-CB 4.38Å; L517-K521 HydrophobicContact CD1-CG 4.43Å; L517-K521 HydrophobicContact CG-CD 4.31Å; L517-K521 WeakPolarHBondContact O-CG 3.13Å; L517-K521 PolarHBondContact O-N 3.39Å; N518-K521 PolarHBondContact O-N 3.37Å; F519-K521 PolarHBondContact O-N 3.42Å; K521-Q524 PolarHBondContact O-N 3.28Å; K521-A525 WeakPolarHBondContact O-CB 3.17Å; K521-A525 PolarHBondContact O-N 3.47Å; K521-F669 HydrophobicContact CB-CE2 4.36Å; K521-F669 HydrophobicContact CG-CD1 4.5Å; K521-F669 HydrophobicContact CG-CD2 3.92Å; K521-F669 HydrophobicContact CG-CE1 4.17Å; K521-F669 HydrophobicContact CG-CE2 3.54Å; K521-F669 HydrophobicContact CG-CG 4.38Å; K521-F669 HydrophobicContact CG-CZ 3.68Å
522	A	87.6	Confident	89.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-45.6	175.7	0	0	0	0	0	111.8	A345 Y349 Y351 F370 N518 F519 R520 Q524 A525 A526	A345-A522 WeakPolarHBondContact CB-O 3.05Å; Y349-A522 VanDerWaalsContact CD2-CA 3.5Å; Y349-A522 HydrophobicContact CD2-CB 3.81Å; Y349-A522 HydrophobicContact CG-CB 4.24Å; Y351-A522 HydrophobicContact CD2-CB 3.89Å; Y351-A522 HydrophobicContact CE2-CB 3.89Å; F370-A522 HydrophobicContact CE1-CB 4.1Å; F370-A522 HydrophobicContact CZ-CB 3.75Å; N518-A522 WeakPolarHBondContact O-CB 3.17Å; N518-A522 PolarHBondContact O-N 3.17Å; F519-A522 WeakPolarHBondContact O-CB 3.45Å; F519-A522 PolarHBondContact O-N 2.89Å; R520-A522 VanDerWaalsContact C-N 3.28Å; R520-A522 PolarHBondContact O-N 3.41Å; A522-Q524 PolarHBondContact O-N 3.22Å; A522-A525 PolarHBondContact O-N 2.98Å; A522-A526 WeakPolarHBondContact O-CB 3.04Å; A522-A526 PolarHBondContact O-N 3.47Å
523	I	87.1	Confident	89.4	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-49.2	175.7	-69.3	168.5	0	0	0	110.3	F370 W444 I448 M493 F519 R520 A525 A526 Q527	F370-I523 HydrophobicContact CD1-CG1 4.48Å; F370-I523 HydrophobicContact CE1-CG1 3.58Å; F370-I523 HydrophobicContact CZ-CG1 4.06Å; W444-I523 HydrophobicContact CB-CD1 4.16Å; W444-I523 HydrophobicContact CD2-CD1 4.33Å; W444-I523 HydrophobicContact CD2-CG1 4.26Å; W444-I523 HydrophobicContact CE3-CD1 3.98Å; W444-I523 HydrophobicContact CE3-CG1 4.03Å; W444-I523 HydrophobicContact CE3-CG2 4Å; W444-I523 HydrophobicContact CG-CD1 4.44Å; W444-I523 HydrophobicContact CZ3-CG2 3.84Å; I448-I523 HydrophobicContact CD1-CD1 4.41Å; I448-I523 HydrophobicContact CD1-CG2 4.01Å; M493-I523 HydrophobicContact CE-CD1 3.54Å; F519-I523 HydrophobicContact CD1-CD1 4.38Å; F519-I523 HydrophobicContact CD2-CD1 3.88Å; F519-I523 HydrophobicContact CD2-CG1 4.19Å; F519-I523 HydrophobicContact CE1-CD1 3.92Å; F519-I523 HydrophobicContact CE2-CD1 3.34Å; F519-I523 HydrophobicContact CE2-CG1 3.88Å; F519-I523 HydrophobicContact CG-CD1 4.38Å; F519-I523 HydrophobicContact CZ-CD1 3.39Å; F519-I523 HydrophobicContact CZ-CG1 4.4Å; F519-I523 PolarHBondContact O-N 3.03Å; R520-I523 PolarHBondContact O-N 3.29Å; I523-A525 VanDerWaalsContact C-N 3.34Å; I523-A525 PolarHBondContact O-N 3.47Å; I523-A526 PolarHBondContact O-N 3.22Å; I523-Q527 HydrophobicContact CG2-CG 4.19Å; I523-Q527 WeakPolarHBondContact O-CB 3.23Å; I523-Q527 VanDerWaalsContact O-CG 3.31Å; I523-Q527 WeakPolarHBondContact O-CG 3.36Å; I523-Q527 PolarHBondContact O-N 3.13Å
524	Q	90.3	Very high	89.2	Confident	14 Å²	14	31 Å²	31	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-42.6	-177.9	-70	-63.1	-15.2	0	0	111.9	R520 K521 A522 Q527 L528 R668 F669	R520-Q524 WeakPolarHBondContact O-CG 3.37Å; R520-Q524 PolarHBondContact O-N 3.24Å; K521-Q524 PolarHBondContact O-N 3.28Å; A522-Q524 PolarHBondContact O-N 3.22Å; Q524-Q527 PolarHBondContact O-N 3.26Å; Q524-L528 PolarHBondContact O-N 3.44Å; Q524-R668 VanDerWaalsContact OE1-CG 3.28Å; Q524-F669 HydrophobicContact CB-CD2 4.31Å; Q524-F669 HydrophobicContact CG-CD2 4.38Å; Q524-F669 HydrophobicContact CG-CE2 4.36Å
525	A	88.8	Confident	89.5	Confident	25 Å²	25	25 Å²	25	21%	0.207	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-42.9	174.5	0	0	0	0	0	112.1	Q314 A345 Y349 K521 A522 I523 Q527 L528	Q314-A525 PolarHBondContact NE2-O 2.91Å; A345-A525 HydrophobicContact CB-CB 3.81Å; Y349-A525 HydrophobicContact CE2-CB 3.96Å; K521-A525 WeakPolarHBondContact O-CB 3.17Å; K521-A525 PolarHBondContact O-N 3.47Å; A522-A525 PolarHBondContact O-N 2.98Å; I523-A525 VanDerWaalsContact C-N 3.34Å; I523-A525 PolarHBondContact O-N 3.47Å; A525-Q527 VanDerWaalsContact C-N 3.26Å; A525-Q527 PolarHBondContact O-N 2.92Å; A525-L528 PolarHBondContact O-N 3.4Å
526	A	86.6	Confident	89.7	Confident	13 Å²	13	21.6 Å²	21.6	11%	0.107	11%	0.109	C	C	.	.	H	α-helix	trans	-66.5	-27.4	178.2	0	0	0	0	0	113	R342 A345 F370 A522 I523	R342-A526 HydrophobicContact CB-CB 4.45Å; A345-A526 HydrophobicContact CB-CB 3.97Å; F370-A526 HydrophobicContact CE2-CB 4.25Å; F370-A526 HydrophobicContact CZ-CB 4.46Å; A522-A526 WeakPolarHBondContact O-CB 3.04Å; A522-A526 PolarHBondContact O-N 3.47Å; I523-A526 PolarHBondContact O-N 3.22Å
527	Q	88.2	Confident	89.5	Confident	22 Å²	22	22.5 Å²	22.5	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-87.7	-9.2	-179.9	-74.1	-178.6	-16.3	0	0	114.4	W444 I523 Q524 A525 P529 M530 L531	W444-Q527 HydrophobicContact CH2-CG 4.47Å; I523-Q527 HydrophobicContact CG2-CG 4.19Å; I523-Q527 WeakPolarHBondContact O-CB 3.23Å; I523-Q527 VanDerWaalsContact O-CG 3.31Å; I523-Q527 WeakPolarHBondContact O-CG 3.36Å; I523-Q527 PolarHBondContact O-N 3.13Å; Q524-Q527 PolarHBondContact O-N 3.26Å; A525-Q527 VanDerWaalsContact C-N 3.26Å; A525-Q527 PolarHBondContact O-N 2.92Å; Q527-P529 VanDerWaalsContact C-CD 3.44Å; Q527-P529 VanDerWaalsContact C-N 3.34Å; Q527-M530 WeakPolarHBondContact O-CA 3.21Å; Q527-M530 WeakPolarHBondContact O-CB 3.39Å; Q527-M530 PolarHBondContact O-N 2.92Å; Q527-L531 PolarHBondContact O-N 3.14Å
528	L	91.9	Very high	89.5	Confident	13 Å²	13	21 Å²	21	7%	0.068	11%	0.105	C	C	.	.	H	α-helix	trans	-51.9	-43.3	-179.1	179.5	59.1	0	0	0	113.6	V307 K310 F311 Q314 Q524 A525 M530 L531 V532 L670	V307-L528 HydrophobicContact CB-CD1 4.24Å; V307-L528 HydrophobicContact CG1-CD1 4.31Å; K310-L528 HydrophobicContact CB-CD2 4.09Å; F311-L528 HydrophobicContact CB-CD2 4.36Å; F311-L528 HydrophobicContact CB-CG 4.46Å; F311-L528 HydrophobicContact CD2-CG 4.29Å; Q314-L528 HydrophobicContact CB-CD2 4.37Å; Q524-L528 PolarHBondContact O-N 3.44Å; A525-L528 PolarHBondContact O-N 3.4Å; L528-M530 VanDerWaalsContact C-N 3.3Å; L528-M530 PolarHBondContact O-N 3.26Å; L528-L531 HydrophobicContact CD1-CD2 4.48Å; L528-L531 WeakPolarHBondContact O-CB 3.47Å; L528-L531 PolarHBondContact O-N 2.74Å; L528-V532 HydrophobicContact CD1-CG2 4.32Å; L528-V532 WeakPolarHBondContact O-CG2 3.15Å; L528-V532 PolarHBondContact O-N 3.01Å; L528-L670 HydrophobicContact CD1-CD2 3.92Å
529	P	89.6	Confident	89.8	Confident	6 Å²	6	19.8 Å²	19.8	4%	0.039	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-35	176	-19.9	30.7	0	0	0	113.8	F311 V337 A341 Q527 R533	F311-P529 HydrophobicContact CE2-CB 3.83Å; F311-P529 HydrophobicContact CE2-CG 3.97Å; F311-P529 HydrophobicContact CZ-CB 4.46Å; V337-P529 HydrophobicContact CG1-CB 3.45Å; V337-P529 VanDerWaalsContact CG1-CB 3.45Å; V337-P529 HydrophobicContact CG1-CG 3.67Å; A341-P529 HydrophobicContact CB-CG 3.54Å; Q527-P529 VanDerWaalsContact C-CD 3.44Å; Q527-P529 VanDerWaalsContact C-N 3.34Å; P529-R533 WeakPolarHBondContact O-CB 2.94Å; P529-R533 PolarHBondContact O-N 2.99Å
530	M	85.9	Confident	89.8	Confident	71 Å²	71	19.8 Å²	19.8	35%	0.35	10%	0.099	S	C	.	.	H	α-helix	trans	-67.3	-42.1	175.8	-66.8	-170.1	55.8	0	0	111.1	Q527 L528 R533 D534	Q527-M530 WeakPolarHBondContact O-CA 3.21Å; Q527-M530 WeakPolarHBondContact O-CB 3.39Å; Q527-M530 PolarHBondContact O-N 2.92Å; L528-M530 VanDerWaalsContact C-N 3.3Å; L528-M530 PolarHBondContact O-N 3.26Å; M530-R533 WeakPolarHBondContact O-CB 3.42Å; M530-R533 PolarHBondContact O-N 3.05Å; M530-D534 VanDerWaalsContact O-CG 3.28Å; M530-D534 PolarHBondContact O-N 3.12Å
531	L	91.9	Very high	89.7	Confident	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-59.8	-47.1	175.9	176.9	62.7	0	0	0	111.3	V307 Q527 L528 R533 D534 I535 L594 M664 L670	V307-L531 HydrophobicContact CG1-CD2 3.86Å; V307-L531 HydrophobicContact CG1-CG 4.42Å; Q527-L531 PolarHBondContact O-N 3.14Å; L528-L531 HydrophobicContact CD1-CD2 4.48Å; L528-L531 WeakPolarHBondContact O-CB 3.47Å; L528-L531 PolarHBondContact O-N 2.74Å; L531-R533 VanDerWaalsContact C-N 3.28Å; L531-R533 PolarHBondContact O-N 3.15Å; L531-D534 PolarHBondContact O-N 3.14Å; L531-D534 VanDerWaalsContact O-N 3.14Å; L531-I535 HydrophobicContact CD1-CD1 4.16Å; L531-I535 HydrophobicContact CD1-CG1 4.36Å; L531-I535 HydrophobicContact CG-CD1 3.97Å; L531-I535 VanDerWaalsContact O-CG1 3.3Å; L531-I535 WeakPolarHBondContact O-CG1 3.39Å; L531-I535 PolarHBondContact O-N 3.32Å; L531-L594 HydrophobicContact CD1-CD2 3.74Å; L531-M664 HydrophobicContact CD1-CE 4.19Å; L531-L670 HydrophobicContact CD2-CD1 3.84Å
532	V	93.2	Very high	89.7	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-58.8	-42.5	176	173.9	0	0	0	0	111	V307 F311 L528 D534 I535 F536 Y563 F564	V307-V532 HydrophobicContact CB-CG2 4.21Å; V307-V532 HydrophobicContact CG2-CG2 3.88Å; F311-V532 HydrophobicContact CB-CG2 3.84Å; F311-V532 HydrophobicContact CD1-CB 4.38Å; F311-V532 HydrophobicContact CD1-CG1 3.94Å; F311-V532 HydrophobicContact CD1-CG2 4Å; F311-V532 HydrophobicContact CD2-CG2 4.08Å; F311-V532 HydrophobicContact CE1-CG1 4.02Å; F311-V532 HydrophobicContact CG-CB 4.46Å; F311-V532 HydrophobicContact CG-CG1 4.48Å; F311-V532 HydrophobicContact CG-CG2 3.7Å; L528-V532 HydrophobicContact CD1-CG2 4.32Å; L528-V532 WeakPolarHBondContact O-CG2 3.15Å; L528-V532 PolarHBondContact O-N 3.01Å; V532-D534 VanDerWaalsContact C-N 3.34Å; V532-D534 PolarHBondContact O-N 3.12Å; V532-I535 PolarHBondContact O-N 3.08Å; V532-F536 WeakPolarHBondContact O-CB 3.48Å; V532-F536 PolarHBondContact O-N 3.16Å; V532-Y563 HydrophobicContact CG1-CD1 4.22Å; V532-F564 HydrophobicContact CG1-CD1 4.35Å; V532-F564 HydrophobicContact CG1-CE1 3.89Å
533	R	87.7	Confident	89.7	Confident	72 Å²	72	19.2 Å²	19.2	27%	0.272	10%	0.099	S	C	.	.	H	α-helix	trans	-63.7	-38.3	176.5	-175.9	175.6	65	-152	-3	112.6	D338 P529 M530 L531 K537 F564	D338-R533 IonicContact OD2-NH1 2.67Å; P529-R533 WeakPolarHBondContact O-CB 2.94Å; P529-R533 PolarHBondContact O-N 2.99Å; M530-R533 WeakPolarHBondContact O-CB 3.42Å; M530-R533 PolarHBondContact O-N 3.05Å; L531-R533 VanDerWaalsContact C-N 3.28Å; L531-R533 PolarHBondContact O-N 3.15Å; R533-K537 HydrophobicContact CG-CD 4.41Å; R533-K537 WeakPolarHBondContact O-CB 3.46Å; R533-K537 VanDerWaalsContact O-CG 3.26Å; R533-K537 WeakPolarHBondContact O-CG 3.49Å; R533-K537 PolarHBondContact O-N 3.35Å; R533-F564 HydrophobicContact CB-CZ 4.43Å
534	D	88.8	Confident	89.6	Confident	62 Å²	62	19.1 Å²	19.1	33%	0.332	10%	0.099	S	C	.	.	H	α-helix	trans	-71.7	-36.3	179	-67.8	-20.3	0	0	0	111.5	M530 L531 V532 S538 L594	M530-D534 VanDerWaalsContact O-CG 3.28Å; M530-D534 PolarHBondContact O-N 3.12Å; L531-D534 PolarHBondContact O-N 3.14Å; L531-D534 VanDerWaalsContact O-N 3.14Å; V532-D534 VanDerWaalsContact C-N 3.34Å; V532-D534 PolarHBondContact O-N 3.12Å; D534-S538 WeakPolarHBondContact O-CB 3.29Å; D534-S538 PolarHBondContact O-N 3.32Å; D534-S538 PolarHBondContact O-OG 2.81Å; D534-L594 HydrophobicContact CB-CD2 4.24Å
535	I	94.7	Very high	89.5	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-50.5	172.2	-60.8	160.6	0	0	0	109.8	I300 L303 K304 V307 L531 V532 K537 S538 D539 Y563 L594	I300-I535 HydrophobicContact CG2-CG2 4.04Å; L303-I535 HydrophobicContact CB-CD1 3.8Å; L303-I535 HydrophobicContact CB-CG1 4.2Å; L303-I535 HydrophobicContact CD1-CG1 4.44Å; K304-I535 HydrophobicContact CB-CG2 4.36Å; V307-I535 HydrophobicContact CG1-CD1 4.08Å; V307-I535 HydrophobicContact CG2-CD1 3.78Å; L531-I535 HydrophobicContact CD1-CD1 4.16Å; L531-I535 HydrophobicContact CD1-CG1 4.36Å; L531-I535 HydrophobicContact CG-CD1 3.97Å; L531-I535 VanDerWaalsContact O-CG1 3.3Å; L531-I535 WeakPolarHBondContact O-CG1 3.39Å; L531-I535 PolarHBondContact O-N 3.32Å; V532-I535 PolarHBondContact O-N 3.08Å; I535-K537 VanDerWaalsContact C-N 3.33Å; I535-K537 PolarHBondContact O-N 3.17Å; I535-S538 WeakPolarHBondContact O-CB 3.45Å; I535-S538 PolarHBondContact O-N 2.99Å; I535-S538 VanDerWaalsContact O-N 3.08Å; I535-D539 PolarHBondContact O-N 3.49Å; I535-Y563 HydrophobicContact CB-CE1 4.22Å; I535-Y563 HydrophobicContact CG2-CE1 3.65Å; I535-L594 HydrophobicContact CB-CD1 4.3Å; I535-L594 HydrophobicContact CG1-CD1 3.82Å; I535-L594 HydrophobicContact CG1-CD2 4.34Å
536	F	92.4	Very high	89.3	Confident	6 Å²	6	21 Å²	21	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-54.8	-46.7	176	164.8	-111.1	0	0	0	112.4	V532 S538 D539 F540 Y556 K559 Y563 F564	V532-F536 WeakPolarHBondContact O-CB 3.48Å; V532-F536 PolarHBondContact O-N 3.16Å; F536-S538 VanDerWaalsContact C-N 3.28Å; F536-S538 PolarHBondContact O-N 2.73Å; F536-D539 PolarHBondContact O-N 3.36Å; F536-F540 HydrophobicContact CE2-CB 4.4Å; F536-F540 VanDerWaalsContact O-CB 3.27Å; F536-F540 WeakPolarHBondContact O-CB 3.41Å; F536-F540 PolarHBondContact O-N 2.82Å; F536-Y556 HydrophobicContact CE1-CD2 4.16Å; F536-Y556 AromaticContact CE1-CE2 3.45Å; F536-Y556 HydrophobicContact CE1-CE2 3.45Å; F536-Y556 VanDerWaalsContact CE1-CE2 3.45Å; F536-Y556 AromaticContact CZ-CD2 3.6Å; F536-Y556 HydrophobicContact CZ-CD2 3.6Å; F536-Y556 AromaticContact CZ-CE2 3.33Å; F536-Y556 HydrophobicContact CZ-CE2 3.33Å; F536-K559 HydrophobicContact CD2-CG 3.99Å; F536-K559 HydrophobicContact CE2-CB 4Å; F536-K559 HydrophobicContact CE2-CG 3.73Å; F536-Y563 HydrophobicContact CB-CD1 3.91Å; F536-Y563 HydrophobicContact CB-CD2 4.08Å; F536-Y563 HydrophobicContact CB-CE1 4.29Å; F536-Y563 HydrophobicContact CB-CE2 4.43Å; F536-Y563 HydrophobicContact CB-CG 3.79Å; F536-Y563 AromaticContact CD2-CD2 3.63Å; F536-Y563 HydrophobicContact CD2-CD2 3.63Å; F536-Y563 HydrophobicContact CD2-CE2 4.11Å; F536-Y563 HydrophobicContact CD2-CG 4.08Å; F536-Y563 HydrophobicContact CG-CD2 4.31Å; F536-Y563 HydrophobicContact CG-CG 4.34Å; F536-F564 HydrophobicContact CB-CE2 4.19Å; F536-F564 HydrophobicContact CB-CZ 4.07Å; F536-F564 AromaticContact CD1-CE2 3.58Å; F536-F564 HydrophobicContact CD1-CE2 3.58Å; F536-F564 AromaticContact CD1-CZ 3.88Å; F536-F564 HydrophobicContact CD1-CZ 3.88Å; F536-F564 HydrophobicContact CD2-CE2 4.2Å; F536-F564 AromaticContact CE1-CE2 3.92Å; F536-F564 HydrophobicContact CE1-CE2 3.92Å; F536-F564 AromaticContact CG-CE2 3.71Å; F536-F564 HydrophobicContact CG-CE2 3.71Å; F536-F564 HydrophobicContact CG-CZ 4.04Å; F536-F564 HydrophobicContact CZ-CE2 4.37Å
537	K	86.4	Confident	88.5	Confident	19 Å²	19	22 Å²	22	8%	0.083	11%	0.108	C	C	.	.	H	α-helix	trans	-63.7	-34.9	178.4	-79	179.8	-178.5	-168.8	0	112.7	R533 I535 D541 H574 D578	R533-K537 HydrophobicContact CG-CD 4.41Å; R533-K537 WeakPolarHBondContact O-CB 3.46Å; R533-K537 VanDerWaalsContact O-CG 3.26Å; R533-K537 WeakPolarHBondContact O-CG 3.49Å; R533-K537 PolarHBondContact O-N 3.35Å; I535-K537 VanDerWaalsContact C-N 3.33Å; I535-K537 PolarHBondContact O-N 3.17Å; K537-D541 WeakPolarHBondContact O-CB 3.33Å; K537-D541 PolarHBondContact O-N 2.88Å; K537-H574 WeakPolarHBondContact CE-NE2 3.2Å; K537-H574 PolarHBondContact NZ-NE2 3.09Å; K537-H574 VanDerWaalsContact NZ-NE2 3.17Å; K537-D578 VanDerWaalsContact CE-OD2 3.29Å; K537-D578 WeakPolarHBondContact CE-OD2 3.35Å; K537-D578 IonicContact NZ-OD2 3.84Å; K537-D578 PolarHBondContact NZ-OD2 3.01Å
538	S	91.4	Very high	87.3	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-71.3	-42.6	178.4	-58	0	0	0	0	111.2	D534 I535 F536 L542 Y591 L594	D534-S538 WeakPolarHBondContact O-CB 3.29Å; D534-S538 PolarHBondContact O-N 3.32Å; D534-S538 PolarHBondContact O-OG 2.81Å; I535-S538 WeakPolarHBondContact O-CB 3.45Å; I535-S538 PolarHBondContact O-N 2.99Å; I535-S538 VanDerWaalsContact O-N 3.08Å; F536-S538 VanDerWaalsContact C-N 3.28Å; F536-S538 PolarHBondContact O-N 2.73Å; S538-L542 WeakPolarHBondContact O-CG 3.24Å; S538-L542 PolarHBondContact O-N 3.38Å; S538-L542 VanDerWaalsContact O-N 3.12Å; S538-Y591 VanDerWaalsContact OG-CA 3.32Å; S538-Y591 WeakPolarHBondContact OG-CA 3.45Å; S538-Y591 PolarHBondContact OG-N 3.16Å; S538-L594 WeakPolarHBondContact OG-CD1 3.3Å
539	D	93.4	Very high	85.7	Confident	18 Å²	18	33.9 Å²	33.9	10%	0.096	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-50.1	174.8	-169.5	-3.2	0	0	0	111	I300 I535 F536 D541 L542 L543 K559 Y563	I300-D539 HydrophobicContact CD1-CB 4.47Å; I300-D539 HydrophobicContact CG2-CB 3.75Å; I535-D539 PolarHBondContact O-N 3.49Å; F536-D539 PolarHBondContact O-N 3.36Å; D539-D541 PolarHBondContact O-N 3.44Å; D539-L542 PolarHBondContact O-N 2.87Å; D539-L543 WeakPolarHBondContact O-CB 3.34Å; D539-L543 PolarHBondContact O-N 2.73Å; D539-K559 WeakPolarHBondContact OD2-CD 3.39Å; D539-K559 IonicContact OD2-NZ 2.93Å; D539-Y563 HydrophobicContact CB-CE2 4.4Å; D539-Y563 WeakPolarHBondContact CB-OH 3.39Å; D539-Y563 WeakPolarHBondContact OD2-CE2 3.31Å; D539-Y563 PolarHBondContact OD2-OH 2.94Å
540	F	89.4	Confident	84.8	Confident	1 Å²	1	35 Å²	35	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-44	178.2	176.1	-103.6	0	0	0	112.6	F536 L543 I544 W552 M555 Y556 P575 L580	F536-F540 HydrophobicContact CE2-CB 4.4Å; F536-F540 VanDerWaalsContact O-CB 3.27Å; F536-F540 WeakPolarHBondContact O-CB 3.41Å; F536-F540 PolarHBondContact O-N 2.82Å; F540-L543 PolarHBondContact O-N 3.04Å; F540-I544 HydrophobicContact CD2-CG2 4.13Å; F540-I544 HydrophobicContact CE1-CD1 4.13Å; F540-I544 HydrophobicContact CE1-CG2 4.1Å; F540-I544 HydrophobicContact CE2-CG2 3.52Å; F540-I544 HydrophobicContact CZ-CD1 4.48Å; F540-I544 HydrophobicContact CZ-CG2 3.52Å; F540-I544 WeakPolarHBondContact O-CG1 3.4Å; F540-I544 PolarHBondContact O-N 3.01Å; F540-W552 HydrophobicContact CZ-CE3 4.25Å; F540-M555 HydrophobicContact CE2-CB 4.32Å; F540-Y556 HydrophobicContact CD1-CD2 4.26Å; F540-Y556 HydrophobicContact CD2-CD2 4.14Å; F540-Y556 HydrophobicContact CE1-CD2 4.15Å; F540-Y556 VanDerWaalsContact CE2-CA 3.44Å; F540-Y556 HydrophobicContact CE2-CD2 4.03Å; F540-Y556 HydrophobicContact CE2-CG 4.3Å; F540-Y556 HydrophobicContact CG-CD2 4.25Å; F540-Y556 HydrophobicContact CZ-CD2 4.03Å; F540-Y556 HydrophobicContact CZ-CG 4.39Å; F540-P575 HydrophobicContact CD1-CG 4.43Å; F540-P575 HydrophobicContact CE1-CB 3.78Å; F540-P575 HydrophobicContact CE1-CG 3.64Å; F540-P575 HydrophobicContact CZ-CB 4.2Å; F540-P575 HydrophobicContact CZ-CG 3.96Å; F540-L580 HydrophobicContact CD1-CD1 4.47Å
541	D	88.4	Confident	84.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-47.2	176.8	-172.8	32.6	0	0	0	111.5	K537 D539 I544 H545 L580 A588 S589 N590	K537-D541 WeakPolarHBondContact O-CB 3.33Å; K537-D541 PolarHBondContact O-N 2.88Å; D539-D541 PolarHBondContact O-N 3.44Å; D541-I544 WeakPolarHBondContact O-CG1 3.44Å; D541-H545 PolarHBondContact O-CD2 3.47Å; D541-H545 PolarHBondContact O-N 3.44Å; D541-H545 IonicContact OD1-CD2 3.51Å; D541-H545 PolarHBondContact OD1-CD2 2.89Å; D541-H545 IonicContact OD1-NE2 2.65Å; D541-H545 PolarHBondContact OD1-NE2 3.09Å; D541-L580 HydrophobicContact CB-CD2 3.49Å; D541-L580 VanDerWaalsContact CB-CD2 3.49Å; D541-L580 WeakPolarHBondContact OD1-CD2 3.42Å; D541-A588 VanDerWaalsContact CG-N 3.34Å; D541-A588 PolarHBondContact OD1-N 2.67Å; D541-A588 VanDerWaalsContact OD2-C 3.31Å; D541-A588 WeakPolarHBondContact OD2-CA 3.4Å; D541-A588 PolarHBondContact OD2-N 2.62Å; D541-A588 VanDerWaalsContact OD2-N 3.1Å; D541-S589 PolarHBondContact OD2-N 3.36Å; D541-N590 HydrophobicContact CB-CB 4.08Å; D541-N590 WeakPolarHBondContact OD2-CB 3.42Å; D541-N590 PolarHBondContact OD2-N 2.99Å
542	L	89.5	Confident	84	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-45.7	175.5	-71.1	172.1	0	0	0	111.7	A281 L285 V296 E297 I300 S538 D539 I544 H545 K546	A281-L542 HydrophobicContact CB-CD2 4.3Å; L285-L542 HydrophobicContact CD1-CD2 4.4Å; V296-L542 HydrophobicContact CB-CD1 3.94Å; V296-L542 HydrophobicContact CG1-CD1 3.53Å; E297-L542 HydrophobicContact CG-CD1 4.32Å; I300-L542 HydrophobicContact CD1-CD1 3.56Å; S538-L542 WeakPolarHBondContact O-CG 3.24Å; S538-L542 PolarHBondContact O-N 3.38Å; S538-L542 VanDerWaalsContact O-N 3.12Å; D539-L542 PolarHBondContact O-N 2.87Å; L542-I544 VanDerWaalsContact C-N 3.32Å; L542-I544 PolarHBondContact O-N 3.18Å; L542-H545 CarbonylContact O-C 3.5Å; L542-H545 PolarHBondContact O-N 2.95Å; L542-H545 VanDerWaalsContact O-N 3.12Å; L542-K546 WeakPolarHBondContact O-CB 3.41Å; L542-K546 VanDerWaalsContact O-CG 3.28Å; L542-K546 WeakPolarHBondContact O-CG 3.32Å; L542-K546 PolarHBondContact O-N 3.21Å
543	L	89.3	Confident	83.4	Confident	51 Å²	51	36.3 Å²	36.3	27%	0.267	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-42.5	-177.5	-178.6	67.7	0	0	0	112.4	D539 F540 S547 M555	D539-L543 WeakPolarHBondContact O-CB 3.34Å; D539-L543 PolarHBondContact O-N 2.73Å; F540-L543 PolarHBondContact O-N 3.04Å; L543-S547 PolarHBondContact O-N 2.89Å; L543-S547 PolarHBondContact O-OG 3.08Å; L543-M555 HydrophobicContact CB-CE 4.42Å; L543-M555 HydrophobicContact CD1-CE 4.29Å; L543-M555 HydrophobicContact CD2-CB 4.3Å; L543-M555 HydrophobicContact CD2-CE 3.82Å; L543-M555 HydrophobicContact CG-CE 3.48Å; L543-M555 VanDerWaalsContact CG-CE 3.48Å
544	I	85	Confident	83.3	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-69.8	-31.7	178.7	63.3	171.8	0	0	0	112.6	R265 F540 D541 L542 W552 M555 V581	R265-I544 VanDerWaalsContact CZ-O 3.25Å; R265-I544 PolarHBondContact NE-O 3.4Å; R265-I544 PolarHBondContact NH2-O 2.75Å; F540-I544 HydrophobicContact CD2-CG2 4.13Å; F540-I544 HydrophobicContact CE1-CD1 4.13Å; F540-I544 HydrophobicContact CE1-CG2 4.1Å; F540-I544 HydrophobicContact CE2-CG2 3.52Å; F540-I544 HydrophobicContact CZ-CD1 4.48Å; F540-I544 HydrophobicContact CZ-CG2 3.52Å; F540-I544 WeakPolarHBondContact O-CG1 3.4Å; F540-I544 PolarHBondContact O-N 3.01Å; D541-I544 WeakPolarHBondContact O-CG1 3.44Å; L542-I544 VanDerWaalsContact C-N 3.32Å; L542-I544 PolarHBondContact O-N 3.18Å; I544-W552 HydrophobicContact CG2-CB 4.35Å; I544-M555 HydrophobicContact CG2-CE 3.98Å; I544-M555 HydrophobicContact CG2-SD 4.44Å; I544-V581 HydrophobicContact CD1-CG2 4.23Å
545	H	86.5	Confident	83.1	Confident	3 Å²	3	34.4 Å²	34.4	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-93.3	-5.7	-178.7	-67	-58.3	0	0	0	114.2	C279 Y280 A281 D541 L542 L580 A587 A588	C279-H545 WeakPolarHBondContact CB-O 3.36Å; Y280-H545 HydrophobicContact CD1-CB 4.41Å; Y280-H545 AromaticContact CD1-ND1 3.99Å; Y280-H545 PolarHBondContact N-O 3.01Å; A281-H545 HydrophobicContact CB-CB 4.15Å; A281-H545 PolarHBondContact N-O 2.82Å; D541-H545 PolarHBondContact O-CD2 3.47Å; D541-H545 PolarHBondContact O-N 3.44Å; D541-H545 IonicContact OD1-CD2 3.51Å; D541-H545 PolarHBondContact OD1-CD2 2.89Å; D541-H545 IonicContact OD1-NE2 2.65Å; D541-H545 PolarHBondContact OD1-NE2 3.09Å; L542-H545 CarbonylContact O-C 3.5Å; L542-H545 PolarHBondContact O-N 2.95Å; L542-H545 VanDerWaalsContact O-N 3.12Å; H545-L580 PolarHBondContact NE2-O 3.31Å; H545-L580 VanDerWaalsContact NE2-O 3.16Å; H545-A587 WeakPolarHBondContact NE2-CB 3.28Å; H545-A588 HydrophobicContact CB-CB 3.95Å; H545-A588 PolarHBondContact CD2-N 3.01Å
546	K	85.5	Confident	82.7	Confident	75 Å²	75	35 Å²	35	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-88.5	-38.5	168.1	-75	-179.4	77.7	169.9	0	113.2	A281 V293 E297 L542	A281-K546 HydrophobicContact CB-CG 4.08Å; V293-K546 HydrophobicContact CG1-CD 3.52Å; V293-K546 HydrophobicContact CG1-CG 4.02Å; E297-K546 WeakPolarHBondContact OE1-CD 3.19Å; E297-K546 IonicContact OE1-NZ 3.33Å; E297-K546 PolarHBondContact OE1-NZ 3.22Å; E297-K546 IonicContact OE2-NZ 2.68Å; E297-K546 PolarHBondContact OE2-NZ 3.35Å; L542-K546 WeakPolarHBondContact O-CB 3.41Å; L542-K546 VanDerWaalsContact O-CG 3.28Å; L542-K546 WeakPolarHBondContact O-CG 3.32Å; L542-K546 PolarHBondContact O-N 3.21Å
547	S	69.2	Low	82.4	Confident	33 Å²	33	38.7 Å²	38.7	23%	0.231	20%	0.196	C	C	.	.			trans	-89.5	151.4	-171	61.6	0	0	0	0	112.2	R265 L543 M555	R265-S547 VanDerWaalsContact NH2-C 3.31Å; R265-S547 PolarHBondContact NH2-O 3.21Å; R265-S547 PolarHBondContact NH2-OG 3.2Å; L543-S547 PolarHBondContact O-N 2.89Å; L543-S547 PolarHBondContact O-OG 3.08Å; S547-M555 VanDerWaalsContact OG-CE 3.22Å; S547-M555 WeakPolarHBondContact OG-CE 3.33Å
548	N	63.9	Low	82.5	Confident	102 Å²	102	42.9 Å²	42.9	55%	0.545	22%	0.215	S	C	.	.	S	Bend	trans	-103.6	-8.9	177.8	-81	-14.1	0	0	0	115.3	Q269	Q269-N548 VanDerWaalsContact CG-OD1 3.26Å; Q269-N548 WeakPolarHBondContact CG-OD1 3.39Å; Q269-N548 PolarHBondContact NE2-OD1 3.47Å; Q269-N548 PolarHBondContact OE1-OD1 3Å
549	M	57.4	Low	82.4	Confident	184 Å²	184	44.1 Å²	44.1	91%	0.906	22%	0.221	S	C	*	.	S	Bend	trans	-136.7	-4.3	-157.3	-64.7	-72.7	-88.5	0	0	117.4
550	G	71.8	Confident	82.2	Confident	30 Å²	30	43.3 Å²	43.3	31%	0.309	22%	0.217	S	C	.	.	S	Bend	trans	-96.9	142.4	179.9	0	0	0	0	0	113.7	R265 W552	R265-G550 PolarHBondContact NH1-O 2.91Å; G550-W552 PolarHBondContact O-N 2.76Å
551	F	81.1	Confident	82.2	Confident	79 Å²	79	49 Å²	49	35%	0.346	24%	0.241	S	C	.	.			trans	-65	124.6	166.5	-178.7	-131.4	0	0	0	108.9	S258 L262 F553 D554 M555	S258-F551 WeakPolarHBondContact OG-CE2 3.47Å; S258-F551 WeakPolarHBondContact OG-CZ 3.34Å; L262-F551 HydrophobicContact CD1-CD2 3.94Å; L262-F551 HydrophobicContact CD1-CE2 3.85Å; L262-F551 HydrophobicContact CD2-CD2 4.06Å; L262-F551 HydrophobicContact CG-CD2 4.33Å; L262-F551 HydrophobicContact CG-CE2 4.33Å; F551-F553 HydrophobicContact CD1-CB 3.74Å; F551-F553 HydrophobicContact CE1-CB 3.34Å; F551-F553 HydrophobicContact CE1-CD1 4.09Å; F551-F553 HydrophobicContact CE1-CG 4.13Å; F551-F553 HydrophobicContact CZ-CB 3.78Å; F551-F553 PolarHBondContact O-N 2.71Å; F551-F553 VanDerWaalsContact O-N 3.1Å; F551-D554 PolarHBondContact O-N 3.3Å; F551-D554 VanDerWaalsContact O-N 3.08Å; F551-M555 WeakPolarHBondContact O-CG 3.3Å; F551-M555 PolarHBondContact O-N 3.07Å
552	W	79.3	Confident	82.4	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.011	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-32.3	-170.9	67.7	-95.1	0	0	0	112.7	S258 F540 I544 G550 M555 Y556 Y573 P575 C576	S258-W552 PolarHBondContact OG-NE1 3.17Å; F540-W552 HydrophobicContact CZ-CE3 4.25Å; I544-W552 HydrophobicContact CG2-CB 4.35Å; G550-W552 PolarHBondContact O-N 2.76Å; W552-M555 WeakPolarHBondContact O-CB 3.33Å; W552-M555 PolarHBondContact O-N 2.96Å; W552-Y556 WeakPolarHBondContact O-CB 3.37Å; W552-Y556 PolarHBondContact O-N 2.93Å; W552-Y573 HydrophobicContact CH2-CD1 4.26Å; W552-P575 HydrophobicContact CE3-CB 3.87Å; W552-P575 HydrophobicContact CE3-CG 4.09Å; W552-P575 HydrophobicContact CH2-CB 4.44Å; W552-P575 HydrophobicContact CZ3-CB 3.64Å; W552-P575 HydrophobicContact CZ3-CG 3.7Å; W552-C576 WeakPolarHBondContact CH2-SG 3.23Å; W552-C576 WeakPolarHBondContact CZ2-SG 3.15Å
553	F	80.6	Confident	82.5	Confident	21 Å²	21	53.4 Å²	53.4	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-71.5	-35.8	-178.1	-174.6	-112.8	0	0	0	111.9	F551 M555 Y556 R557 W568 Y573	F551-F553 HydrophobicContact CD1-CB 3.74Å; F551-F553 HydrophobicContact CE1-CB 3.34Å; F551-F553 HydrophobicContact CE1-CD1 4.09Å; F551-F553 HydrophobicContact CE1-CG 4.13Å; F551-F553 HydrophobicContact CZ-CB 3.78Å; F551-F553 PolarHBondContact O-N 2.71Å; F551-F553 VanDerWaalsContact O-N 3.1Å; F553-M555 VanDerWaalsContact C-N 3.34Å; F553-Y556 PolarHBondContact O-N 2.78Å; F553-R557 HydrophobicContact CE1-CG 4.31Å; F553-R557 HydrophobicContact CZ-CG 4.32Å; F553-R557 VanDerWaalsContact O-CG 3.31Å; F553-R557 WeakPolarHBondContact O-CG 3.44Å; F553-R557 PolarHBondContact O-N 3.24Å; F553-W568 HydrophobicContact CE1-CZ2 4.48Å; F553-W568 AromaticContact CE2-CZ2 3.75Å; F553-W568 HydrophobicContact CE2-CZ2 3.75Å; F553-W568 AromaticContact CZ-CH2 3.77Å; F553-W568 HydrophobicContact CZ-CH2 3.77Å; F553-W568 AromaticContact CZ-CZ2 3.37Å; F553-W568 HydrophobicContact CZ-CZ2 3.37Å; F553-Y573 HydrophobicContact CD2-CD1 4.07Å; F553-Y573 HydrophobicContact CD2-CE1 4.18Å; F553-Y573 AromaticContact CE2-CD1 3.62Å; F553-Y573 HydrophobicContact CE2-CD1 3.62Å; F553-Y573 AromaticContact CE2-CE1 3.55Å; F553-Y573 HydrophobicContact CE2-CE1 3.55Å; F553-Y573 HydrophobicContact CZ-CD1 4.32Å; F553-Y573 AromaticContact CZ-CE1 3.77Å; F553-Y573 HydrophobicContact CZ-CE1 3.77Å
554	D	85	Confident	82.5	Confident	67 Å²	67	52.4 Å²	52.4	36%	0.358	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-45	173.3	-63.9	-28.8	0	0	0	110.1	F551 Y556 R557 E558	F551-D554 PolarHBondContact O-N 3.3Å; F551-D554 VanDerWaalsContact O-N 3.08Å; D554-Y556 VanDerWaalsContact C-N 3.32Å; D554-Y556 PolarHBondContact O-N 3.16Å; D554-R557 PolarHBondContact O-N 2.86Å; D554-R557 IonicContact OD1-CZ 2.72Å; D554-R557 IonicContact OD1-NE 2.88Å; D554-R557 IonicContact OD1-NH2 2.78Å; D554-R557 PolarHBondContact OD1-NH2 3.37Å; D554-E558 WeakPolarHBondContact O-CG 3.06Å; D554-E558 PolarHBondContact O-N 3.46Å
555	M	86	Confident	82.5	Confident	26 Å²	26	56.4 Å²	56.4	13%	0.128	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-41	176	-57.8	167	64.1	0	0	111.7	F540 L543 I544 S547 F551 W552 F553 K559	F540-M555 HydrophobicContact CE2-CB 4.32Å; L543-M555 HydrophobicContact CB-CE 4.42Å; L543-M555 HydrophobicContact CD1-CE 4.29Å; L543-M555 HydrophobicContact CD2-CB 4.3Å; L543-M555 HydrophobicContact CD2-CE 3.82Å; L543-M555 HydrophobicContact CG-CE 3.48Å; L543-M555 VanDerWaalsContact CG-CE 3.48Å; I544-M555 HydrophobicContact CG2-CE 3.98Å; I544-M555 HydrophobicContact CG2-SD 4.44Å; S547-M555 VanDerWaalsContact OG-CE 3.22Å; S547-M555 WeakPolarHBondContact OG-CE 3.33Å; F551-M555 WeakPolarHBondContact O-CG 3.3Å; F551-M555 PolarHBondContact O-N 3.07Å; W552-M555 WeakPolarHBondContact O-CB 3.33Å; W552-M555 PolarHBondContact O-N 2.96Å; F553-M555 VanDerWaalsContact C-N 3.34Å; M555-K559 WeakPolarHBondContact O-CB 3.01Å; M555-K559 PolarHBondContact O-N 2.94Å
556	Y	84.7	Confident	82.2	Confident	13 Å²	13	58.7 Å²	58.7	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-49.2	177.2	179.7	-106.5	0	0	0	111.4	F536 F540 W552 F553 D554 K559 S560 W568 D572 P575	F536-Y556 HydrophobicContact CE1-CD2 4.16Å; F536-Y556 AromaticContact CE1-CE2 3.45Å; F536-Y556 HydrophobicContact CE1-CE2 3.45Å; F536-Y556 VanDerWaalsContact CE1-CE2 3.45Å; F536-Y556 AromaticContact CZ-CD2 3.6Å; F536-Y556 HydrophobicContact CZ-CD2 3.6Å; F536-Y556 AromaticContact CZ-CE2 3.33Å; F536-Y556 HydrophobicContact CZ-CE2 3.33Å; F540-Y556 HydrophobicContact CD1-CD2 4.26Å; F540-Y556 HydrophobicContact CD2-CD2 4.14Å; F540-Y556 HydrophobicContact CE1-CD2 4.15Å; F540-Y556 VanDerWaalsContact CE2-CA 3.44Å; F540-Y556 HydrophobicContact CE2-CD2 4.03Å; F540-Y556 HydrophobicContact CE2-CG 4.3Å; F540-Y556 HydrophobicContact CG-CD2 4.25Å; F540-Y556 HydrophobicContact CZ-CD2 4.03Å; F540-Y556 HydrophobicContact CZ-CG 4.39Å; W552-Y556 WeakPolarHBondContact O-CB 3.37Å; W552-Y556 PolarHBondContact O-N 2.93Å; F553-Y556 PolarHBondContact O-N 2.78Å; D554-Y556 VanDerWaalsContact C-N 3.32Å; D554-Y556 PolarHBondContact O-N 3.16Å; Y556-K559 PolarHBondContact O-N 2.95Å; Y556-S560 VanDerWaalsContact O-CB 3.3Å; Y556-S560 WeakPolarHBondContact O-CB 3.41Å; Y556-S560 PolarHBondContact O-N 2.99Å; Y556-S560 PolarHBondContact O-OG 3.5Å; Y556-W568 AromaticContact CD1-CD1 3.91Å; Y556-W568 AromaticContact CD1-NE1 3.87Å; Y556-W568 AromaticContact CE1-CD1 3.48Å; Y556-W568 VanDerWaalsContact CE1-CD1 3.48Å; Y556-W568 AromaticContact CE1-NE1 3.54Å; Y556-D572 WeakPolarHBondContact CE1-OD2 3.26Å; Y556-D572 PolarHBondContact OH-OD1 3.45Å; Y556-D572 PolarHBondContact OH-OD2 2.92Å; Y556-P575 HydrophobicContact CD1-CG 4.31Å; Y556-P575 HydrophobicContact CD2-CG 3.27Å; Y556-P575 HydrophobicContact CE1-CG 4.45Å; Y556-P575 HydrophobicContact CE2-CG 3.43Å; Y556-P575 VanDerWaalsContact CE2-CG 3.43Å; Y556-P575 HydrophobicContact CG-CG 3.76Å
557	R	86.7	Confident	81.6	Confident	84 Å²	84	56 Å²	56	32%	0.317	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-48.2	179.4	-71.3	-174.8	-54.6	178.1	6.9	111.6	F553 D554 S560 W568	F553-R557 HydrophobicContact CE1-CG 4.31Å; F553-R557 HydrophobicContact CZ-CG 4.32Å; F553-R557 VanDerWaalsContact O-CG 3.31Å; F553-R557 WeakPolarHBondContact O-CG 3.44Å; F553-R557 PolarHBondContact O-N 3.24Å; D554-R557 PolarHBondContact O-N 2.86Å; D554-R557 IonicContact OD1-CZ 2.72Å; D554-R557 IonicContact OD1-NE 2.88Å; D554-R557 IonicContact OD1-NH2 2.78Å; D554-R557 PolarHBondContact OD1-NH2 3.37Å; R557-S560 PolarHBondContact O-N 3.26Å; R557-S560 PolarHBondContact O-OG 3.39Å; R557-W568 HydrophobicContact CG-CD2 3.98Å; R557-W568 HydrophobicContact CG-CE3 4.4Å; R557-W568 HydrophobicContact CG-CG 4.16Å
558	E	88.4	Confident	82.1	Confident	106 Å²	106	57.9 Å²	57.9	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-46.5	178.6	-68.1	-49.3	129.7	0	0	111.5	D554 S560 K561	D554-E558 WeakPolarHBondContact O-CG 3.06Å; D554-E558 PolarHBondContact O-N 3.46Å; E558-S560 VanDerWaalsContact C-N 3.3Å; E558-S560 PolarHBondContact O-N 3.42Å; E558-K561 WeakPolarHBondContact O-CB 3.47Å; E558-K561 PolarHBondContact O-N 3.49Å; E558-K561 IonicContact OE1-NZ 3.47Å; E558-K561 PolarHBondContact OE1-NZ 3.47Å; E558-K561 IonicContact OE2-NZ 3.64Å; E558-K561 PolarHBondContact OE2-NZ 3.32Å
559	K	88.8	Confident	82.8	Confident	28 Å²	28	55 Å²	55	12%	0.122	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-37.2	179.7	-171.7	59	63.4	-173.2	0	112.2	F536 D539 M555 Y556 K561 E562 Y563	F536-K559 HydrophobicContact CD2-CG 3.99Å; F536-K559 HydrophobicContact CE2-CB 4Å; F536-K559 HydrophobicContact CE2-CG 3.73Å; D539-K559 WeakPolarHBondContact OD2-CD 3.39Å; D539-K559 IonicContact OD2-NZ 2.93Å; M555-K559 WeakPolarHBondContact O-CB 3.01Å; M555-K559 PolarHBondContact O-N 2.94Å; Y556-K559 PolarHBondContact O-N 2.95Å; K559-K561 VanDerWaalsContact C-N 3.27Å; K559-K561 PolarHBondContact O-N 2.92Å; K559-E562 WeakPolarHBondContact CE-OE1 3.45Å; K559-E562 IonicContact NZ-OE1 3.65Å; K559-E562 PolarHBondContact NZ-OE1 2.67Å; K559-E562 IonicContact NZ-OE2 2.74Å; K559-E562 PolarHBondContact NZ-OE2 2.86Å; K559-E562 WeakPolarHBondContact O-CB 3.5Å; K559-E562 PolarHBondContact O-N 3.05Å; K559-E562 VanDerWaalsContact O-N 3.11Å; K559-Y563 HydrophobicContact CD-CD2 4.47Å; K559-Y563 HydrophobicContact CD-CE2 3.89Å; K559-Y563 HydrophobicContact CG-CE2 4.3Å; K559-Y563 WeakPolarHBondContact O-CD2 3.41Å
560	S	89.5	Confident	83.6	Confident	2 Å²	2	55 Å²	55	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-31.4	-179.6	72.3	0	0	0	0	113.5	Y556 R557 E558 E562 Y563 F564 W568	Y556-S560 VanDerWaalsContact O-CB 3.3Å; Y556-S560 WeakPolarHBondContact O-CB 3.41Å; Y556-S560 PolarHBondContact O-N 2.99Å; Y556-S560 PolarHBondContact O-OG 3.5Å; R557-S560 PolarHBondContact O-N 3.26Å; R557-S560 PolarHBondContact O-OG 3.39Å; E558-S560 VanDerWaalsContact C-N 3.3Å; E558-S560 PolarHBondContact O-N 3.42Å; S560-E562 PolarHBondContact O-N 2.86Å; S560-Y563 PolarHBondContact O-N 3.35Å; S560-F564 WeakPolarHBondContact O-CD2 3.46Å; S560-F564 PolarHBondContact O-N 3.47Å; S560-W568 WeakPolarHBondContact OG-CB 3.23Å
561	K	90.2	Very high	83.4	Confident	120 Å²	120	54.6 Å²	54.6	52%	0.522	26%	0.261	S	S	.	.	H	α-helix	trans	-64.2	-26.2	176.9	-62.3	173.2	-167.8	165.9	0	112.2	E558 K559 Y563	E558-K561 WeakPolarHBondContact O-CB 3.47Å; E558-K561 PolarHBondContact O-N 3.49Å; E558-K561 IonicContact OE1-NZ 3.47Å; E558-K561 PolarHBondContact OE1-NZ 3.47Å; E558-K561 IonicContact OE2-NZ 3.64Å; E558-K561 PolarHBondContact OE2-NZ 3.32Å; K559-K561 VanDerWaalsContact C-N 3.27Å; K559-K561 PolarHBondContact O-N 2.92Å; K561-Y563 VanDerWaalsContact C-N 3.33Å
562	E	91.6	Very high	83	Confident	87 Å²	87	51.7 Å²	51.7	41%	0.407	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.4	179.5	-56.7	177.3	-141	0	0	113.3	K304 K559 S560	K304-E562 IonicContact NZ-OE2 2.74Å; K304-E562 PolarHBondContact NZ-OE2 3.23Å; K559-E562 WeakPolarHBondContact CE-OE1 3.45Å; K559-E562 IonicContact NZ-OE1 3.65Å; K559-E562 PolarHBondContact NZ-OE1 2.67Å; K559-E562 IonicContact NZ-OE2 2.74Å; K559-E562 PolarHBondContact NZ-OE2 2.86Å; K559-E562 WeakPolarHBondContact O-CB 3.5Å; K559-E562 PolarHBondContact O-N 3.05Å; K559-E562 VanDerWaalsContact O-N 3.11Å; S560-E562 PolarHBondContact O-N 2.86Å
563	Y	92.3	Very high	82.6	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.027	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-33.1	-172.7	-74.9	-91.8	0	0	0	113.6	K304 V532 I535 F536 D539 K559 S560 K561	K304-Y563 HydrophobicContact CB-CE1 4.12Å; K304-Y563 HydrophobicContact CD-CE1 3.9Å; K304-Y563 HydrophobicContact CD-CE2 4.3Å; K304-Y563 HydrophobicContact CG-CD1 4.32Å; K304-Y563 HydrophobicContact CG-CE1 3.67Å; V532-Y563 HydrophobicContact CG1-CD1 4.22Å; I535-Y563 HydrophobicContact CB-CE1 4.22Å; I535-Y563 HydrophobicContact CG2-CE1 3.65Å; F536-Y563 HydrophobicContact CB-CD1 3.91Å; F536-Y563 HydrophobicContact CB-CD2 4.08Å; F536-Y563 HydrophobicContact CB-CE1 4.29Å; F536-Y563 HydrophobicContact CB-CE2 4.43Å; F536-Y563 HydrophobicContact CB-CG 3.79Å; F536-Y563 AromaticContact CD2-CD2 3.63Å; F536-Y563 HydrophobicContact CD2-CD2 3.63Å; F536-Y563 HydrophobicContact CD2-CE2 4.11Å; F536-Y563 HydrophobicContact CD2-CG 4.08Å; F536-Y563 HydrophobicContact CG-CD2 4.31Å; F536-Y563 HydrophobicContact CG-CG 4.34Å; D539-Y563 HydrophobicContact CB-CE2 4.4Å; D539-Y563 WeakPolarHBondContact CB-OH 3.39Å; D539-Y563 WeakPolarHBondContact OD2-CE2 3.31Å; D539-Y563 PolarHBondContact OD2-OH 2.94Å; K559-Y563 HydrophobicContact CD-CD2 4.47Å; K559-Y563 HydrophobicContact CD-CE2 3.89Å; K559-Y563 HydrophobicContact CG-CE2 4.3Å; K559-Y563 WeakPolarHBondContact O-CD2 3.41Å; S560-Y563 PolarHBondContact O-N 3.35Å; K561-Y563 VanDerWaalsContact C-N 3.33Å
564	F	89.7	Confident	82.1	Confident	29 Å²	29	55.2 Å²	55.2	13%	0.127	26%	0.263	C	S	.	.			trans	-114.6	111.7	-172.5	-55.6	-66.1	0	0	0	110.4	F311 V532 R533 F536 S560 F566 G567	F311-F564 HydrophobicContact CE1-CD1 4Å; F311-F564 HydrophobicContact CZ-CD1 4.39Å; V532-F564 HydrophobicContact CG1-CD1 4.35Å; V532-F564 HydrophobicContact CG1-CE1 3.89Å; R533-F564 HydrophobicContact CB-CZ 4.43Å; F536-F564 HydrophobicContact CB-CE2 4.19Å; F536-F564 HydrophobicContact CB-CZ 4.07Å; F536-F564 AromaticContact CD1-CE2 3.58Å; F536-F564 HydrophobicContact CD1-CE2 3.58Å; F536-F564 AromaticContact CD1-CZ 3.88Å; F536-F564 HydrophobicContact CD1-CZ 3.88Å; F536-F564 HydrophobicContact CD2-CE2 4.2Å; F536-F564 AromaticContact CE1-CE2 3.92Å; F536-F564 HydrophobicContact CE1-CE2 3.92Å; F536-F564 AromaticContact CG-CE2 3.71Å; F536-F564 HydrophobicContact CG-CE2 3.71Å; F536-F564 HydrophobicContact CG-CZ 4.04Å; F536-F564 HydrophobicContact CZ-CE2 4.37Å; S560-F564 WeakPolarHBondContact O-CD2 3.46Å; S560-F564 PolarHBondContact O-N 3.47Å; F564-F566 HydrophobicContact CB-CD2 4.14Å; F564-F566 HydrophobicContact CB-CE1 4.35Å; F564-F566 HydrophobicContact CB-CE2 3.71Å; F564-F566 HydrophobicContact CB-CZ 3.83Å; F564-F566 HydrophobicContact CD1-CE1 4.47Å; F564-F566 HydrophobicContact CD1-CE2 4.25Å; F564-F566 AromaticContact CD1-CZ 3.74Å; F564-F566 HydrophobicContact CD1-CZ 3.74Å; F564-F566 HydrophobicContact CG-CE2 4.11Å; F564-F566 HydrophobicContact CG-CZ 4.04Å; F564-F566 PolarHBondContact O-N 3.47Å; F564-F566 VanDerWaalsContact O-N 3.16Å; F564-G567 WeakPolarHBondContact O-CA 3.31Å; F564-G567 PolarHBondContact O-N 3.07Å
565	P	83.4	Confident	81.2	Confident	86 Å²	86	52.1 Å²	52.1	56%	0.558	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27	179.2	-26.5	34.7	0	0	0	114.4	A312 C315 G567	A312-P565 HydrophobicContact CB-CG 4.48Å; C315-P565 HydrophobicContact CB-CG 4.49Å; P565-G567 VanDerWaalsContact C-N 3.28Å
566	F	80.3	Confident	80	Confident	50 Å²	50	51.7 Å²	51.7	22%	0.219	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.5	174.5	49.6	-99.3	0	0	0	113.5	F311 L332 P334 V337 F564	F311-F566 HydrophobicContact CE1-CE1 4.48Å; F311-F566 HydrophobicContact CZ-CE1 4.17Å; L332-F566 WeakPolarHBondContact O-CB 3.28Å; P334-F566 HydrophobicContact CB-CE2 4.25Å; P334-F566 HydrophobicContact CG-CD2 4Å; P334-F566 HydrophobicContact CG-CE2 3.83Å; V337-F566 HydrophobicContact CG2-CD1 4.34Å; V337-F566 HydrophobicContact CG2-CE1 3.59Å; V337-F566 HydrophobicContact CG2-CZ 3.84Å; F564-F566 HydrophobicContact CB-CD2 4.14Å; F564-F566 HydrophobicContact CB-CE1 4.35Å; F564-F566 HydrophobicContact CB-CE2 3.71Å; F564-F566 HydrophobicContact CB-CZ 3.83Å; F564-F566 HydrophobicContact CD1-CE1 4.47Å; F564-F566 HydrophobicContact CD1-CE2 4.25Å; F564-F566 AromaticContact CD1-CZ 3.74Å; F564-F566 HydrophobicContact CD1-CZ 3.74Å; F564-F566 HydrophobicContact CG-CE2 4.11Å; F564-F566 HydrophobicContact CG-CZ 4.04Å; F564-F566 PolarHBondContact O-N 3.47Å; F564-F566 VanDerWaalsContact O-N 3.16Å
567	G	73.9	Confident	78.7	Confident	20 Å²	20	51.5 Å²	51.5	21%	0.206	25%	0.246	C	C	.	.			trans	68.7	-163.8	178	0	0	0	0	0	114.8	F564 P565	F564-G567 WeakPolarHBondContact O-CA 3.31Å; F564-G567 PolarHBondContact O-N 3.07Å; P565-G567 VanDerWaalsContact C-N 3.28Å
568	W	79.9	Confident	77.3	Confident	71 Å²	71	49 Å²	49	27%	0.269	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-87.1	139.9	176.6	175.8	83.5	0	0	0	111.6	F553 Y556 R557 S560 K570 D572	F553-W568 HydrophobicContact CE1-CZ2 4.48Å; F553-W568 AromaticContact CE2-CZ2 3.75Å; F553-W568 HydrophobicContact CE2-CZ2 3.75Å; F553-W568 AromaticContact CZ-CH2 3.77Å; F553-W568 HydrophobicContact CZ-CH2 3.77Å; F553-W568 AromaticContact CZ-CZ2 3.37Å; F553-W568 HydrophobicContact CZ-CZ2 3.37Å; Y556-W568 AromaticContact CD1-CD1 3.91Å; Y556-W568 AromaticContact CD1-NE1 3.87Å; Y556-W568 AromaticContact CE1-CD1 3.48Å; Y556-W568 VanDerWaalsContact CE1-CD1 3.48Å; Y556-W568 AromaticContact CE1-NE1 3.54Å; R557-W568 HydrophobicContact CG-CD2 3.98Å; R557-W568 HydrophobicContact CG-CE3 4.4Å; R557-W568 HydrophobicContact CG-CG 4.16Å; S560-W568 WeakPolarHBondContact OG-CB 3.23Å; W568-K570 HydrophobicContact CH2-CB 4.5Å; W568-K570 HydrophobicContact CZ3-CB 4.42Å; W568-D572 PolarHBondContact NE1-O 3Å
569	E	78.2	Confident	75.6	Confident	42 Å²	42	47.1 Å²	47.1	20%	0.196	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-98.8	142.8	179.1	-173.6	57.2	-116.2	0	0	111.7	R333 P334 W335 G571 D572	R333-E569 WeakPolarHBondContact CD-OE2 3.43Å; R333-E569 IonicContact CZ-OE2 3.58Å; R333-E569 IonicContact NE-OE2 3.66Å; R333-E569 IonicContact NH1-OE2 2.72Å; R333-E569 PolarHBondContact NH1-OE2 2.86Å; P334-E569 HydrophobicContact CG-CB 4.1Å; W335-E569 HydrophobicContact CH2-CG 4.38Å; W335-E569 HydrophobicContact CZ3-CG 4Å; E569-G571 PolarHBondContact O-N 2.82Å; E569-D572 VanDerWaalsContact O-CB 3.29Å; E569-D572 WeakPolarHBondContact O-CB 3.28Å; E569-D572 PolarHBondContact O-N 3.31Å
570	K	74	Confident	74	Confident	184 Å²	184	45.9 Å²	45.9	80%	0.8	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	128	-177.3	-174.4	179.9	177.3	-178.5	0	110.7	W568	W568-K570 HydrophobicContact CH2-CB 4.5Å; W568-K570 HydrophobicContact CZ3-CB 4.42Å
571	G	68.1	Low	72.3	Confident	21 Å²	21	46 Å²	46	22%	0.216	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	3.4	-176.7	0	0	0	0	0	113.2	V245 E569 Y573	V245-G571 WeakPolarHBondContact CG1-O 3.3Å; E569-G571 PolarHBondContact O-N 2.82Å; G571-Y573 WeakPolarHBondContact O-CD2 3.34Å; G571-Y573 PolarHBondContact O-N 3.24Å; G571-Y573 VanDerWaalsContact O-N 3.14Å
572	D	73.3	Confident	70.4	Confident	18 Å²	18	42.1 Å²	42.1	10%	0.096	22%	0.217	C	C	.	.			trans	-75.8	95.9	174.7	-179.6	23.8	0	0	0	114.5	V245 Y556 W568 E569 H574	V245-D572 HydrophobicContact CG1-CB 3.89Å; V245-D572 WeakPolarHBondContact CG1-OD1 3.43Å; Y556-D572 WeakPolarHBondContact CE1-OD2 3.26Å; Y556-D572 PolarHBondContact OH-OD1 3.45Å; Y556-D572 PolarHBondContact OH-OD2 2.92Å; W568-D572 PolarHBondContact NE1-O 3Å; E569-D572 VanDerWaalsContact O-CB 3.29Å; E569-D572 WeakPolarHBondContact O-CB 3.28Å; E569-D572 PolarHBondContact O-N 3.31Å; D572-H574 WeakPolarHBondContact OD1-CB 3.05Å; D572-H574 PolarHBondContact OD1-N 3.18Å
573	Y	69.3	Low	68.8	Low	78 Å²	78	40.1 Å²	40.1	31%	0.306	21%	0.21	S	C	.	.			trans	-110.2	29.7	176.2	-57.6	-76.4	0	0	0	112.5	L249 W552 F553 G571 P575 C576	L249-Y573 HydrophobicContact CD1-CD2 4.1Å; L249-Y573 HydrophobicContact CD1-CE2 4.2Å; W552-Y573 HydrophobicContact CH2-CD1 4.26Å; F553-Y573 HydrophobicContact CD2-CD1 4.07Å; F553-Y573 HydrophobicContact CD2-CE1 4.18Å; F553-Y573 AromaticContact CE2-CD1 3.62Å; F553-Y573 HydrophobicContact CE2-CD1 3.62Å; F553-Y573 AromaticContact CE2-CE1 3.55Å; F553-Y573 HydrophobicContact CE2-CE1 3.55Å; F553-Y573 HydrophobicContact CZ-CD1 4.32Å; F553-Y573 AromaticContact CZ-CE1 3.77Å; F553-Y573 HydrophobicContact CZ-CE1 3.77Å; G571-Y573 WeakPolarHBondContact O-CD2 3.34Å; G571-Y573 PolarHBondContact O-N 3.24Å; G571-Y573 VanDerWaalsContact O-N 3.14Å; Y573-P575 VanDerWaalsContact C-N 3.25Å; Y573-C576 VanDerWaalsContact O-CB 3.27Å; Y573-C576 WeakPolarHBondContact O-CB 3.22Å; Y573-C576 PolarHBondContact O-N 3.3Å
574	H	70.2	Confident	67.1	Low	20 Å²	20	42.3 Å²	42.3	9%	0.093	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-46.5	-37.6	-177.5	-164.7	99	0	0	0	115.2	R224 K537 D572 C576 N577 D578	R224-H574 PolarHBondContact NH2-CE1 3.03Å; R224-H574 PolarHBondContact NH2-NE2 2.52Å; R224-H574 VanDerWaalsContact NH2-NE2 3.16Å; K537-H574 WeakPolarHBondContact CE-NE2 3.2Å; K537-H574 PolarHBondContact NZ-NE2 3.09Å; K537-H574 VanDerWaalsContact NZ-NE2 3.17Å; D572-H574 WeakPolarHBondContact OD1-CB 3.05Å; D572-H574 PolarHBondContact OD1-N 3.18Å; H574-C576 PolarHBondContact O-N 2.69Å; H574-N577 PolarHBondContact O-N 2.63Å; H574-D578 IonicContact CD2-OD2 3.18Å; H574-D578 PolarHBondContact CD2-OD2 3.25Å; H574-D578 VanDerWaalsContact CD2-OD2 3.3Å; H574-D578 IonicContact CE1-OD2 3.4Å; H574-D578 IonicContact NE2-OD1 3.62Å; H574-D578 IonicContact NE2-OD2 2.74Å; H574-D578 PolarHBondContact NE2-OD2 2.76Å; H574-D578 PolarHBondContact O-N 3.49Å
575	P	66	Low	65.7	Low	2 Å²	2	46.5 Å²	46.5	1%	0.013	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.5	-23.4	174.1	-27.6	38	0	0	0	115.8	F540 W552 Y556 Y573 N577 D578	F540-P575 HydrophobicContact CD1-CG 4.43Å; F540-P575 HydrophobicContact CE1-CB 3.78Å; F540-P575 HydrophobicContact CE1-CG 3.64Å; F540-P575 HydrophobicContact CZ-CB 4.2Å; F540-P575 HydrophobicContact CZ-CG 3.96Å; W552-P575 HydrophobicContact CE3-CB 3.87Å; W552-P575 HydrophobicContact CE3-CG 4.09Å; W552-P575 HydrophobicContact CH2-CB 4.44Å; W552-P575 HydrophobicContact CZ3-CB 3.64Å; W552-P575 HydrophobicContact CZ3-CG 3.7Å; Y556-P575 HydrophobicContact CD1-CG 4.31Å; Y556-P575 HydrophobicContact CD2-CG 3.27Å; Y556-P575 HydrophobicContact CE1-CG 4.45Å; Y556-P575 HydrophobicContact CE2-CG 3.43Å; Y556-P575 VanDerWaalsContact CE2-CG 3.43Å; Y556-P575 HydrophobicContact CG-CG 3.76Å; Y573-P575 VanDerWaalsContact C-N 3.25Å; P575-N577 VanDerWaalsContact C-N 3.29Å; P575-D578 VanDerWaalsContact O-O 3.11Å
576	C	62.5	Low	64.9	Low	17 Å²	17	43.2 Å²	43.2	12%	0.115	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-78.2	-13.6	173.6	-66.3	0	0	0	0	113.1	C257 W552 Y573 H574	C257-C576 HydrophobicContact CB-CB 3.82Å; W552-C576 WeakPolarHBondContact CH2-SG 3.23Å; W552-C576 WeakPolarHBondContact CZ2-SG 3.15Å; Y573-C576 VanDerWaalsContact O-CB 3.27Å; Y573-C576 WeakPolarHBondContact O-CB 3.22Å; Y573-C576 PolarHBondContact O-N 3.3Å; H574-C576 PolarHBondContact O-N 2.69Å
577	N	57.3	Low	64.8	Low	10 Å²	10	40.8 Å²	40.8	5%	0.053	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-36	-179.7	-174.7	32.8	0	0	0	112.7	V220 T244 H574 P575	V220-N577 VanDerWaalsContact CG2-ND2 3.33Å; V220-N577 WeakPolarHBondContact CG2-ND2 3.43Å; V220-N577 WeakPolarHBondContact CG2-OD1 3.38Å; T244-N577 PolarHBondContact O-ND2 3.36Å; H574-N577 PolarHBondContact O-N 2.63Å; P575-N577 VanDerWaalsContact C-N 3.29Å
578	D	56.1	Low	65.3	Low	30 Å²	30	39.9 Å²	39.9	16%	0.16	20%	0.202	C	C	.	.	S	Bend	trans	-76.5	140.8	169.5	-84.2	-17.3	0	0	0	108.4	R224 K537 H574 P575 L580	R224-D578 IonicContact CZ-OD1 2.77Å; R224-D578 IonicContact NH1-OD1 2.96Å; R224-D578 PolarHBondContact NH1-OD1 3.2Å; R224-D578 IonicContact NH2-OD1 3.93Å; R224-D578 PolarHBondContact NH2-OD1 3.08Å; R224-D578 IonicContact NH2-OD2 2.76Å; K537-D578 VanDerWaalsContact CE-OD2 3.29Å; K537-D578 WeakPolarHBondContact CE-OD2 3.35Å; K537-D578 IonicContact NZ-OD2 3.84Å; K537-D578 PolarHBondContact NZ-OD2 3.01Å; H574-D578 IonicContact CD2-OD2 3.18Å; H574-D578 PolarHBondContact CD2-OD2 3.25Å; H574-D578 VanDerWaalsContact CD2-OD2 3.3Å; H574-D578 IonicContact CE1-OD2 3.4Å; H574-D578 IonicContact NE2-OD1 3.62Å; H574-D578 IonicContact NE2-OD2 2.74Å; H574-D578 PolarHBondContact NE2-OD2 2.76Å; H574-D578 PolarHBondContact O-N 3.49Å; P575-D578 VanDerWaalsContact O-O 3.11Å; D578-L580 HydrophobicContact CB-CB 4.3Å; D578-L580 HydrophobicContact CB-CD1 3.71Å; D578-L580 HydrophobicContact CB-CG 3.94Å; D578-L580 PolarHBondContact O-N 2.69Å
579	L	53.4	Low	65.5	Low	67 Å²	67	36.8 Å²	36.8	35%	0.351	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	4.3	176.6	-67.2	167.1	0	0	0	114.5	V581 A582 D583 A586	L579-V581 PolarHBondContact O-N 3.13Å; L579-A582 PolarHBondContact O-N 2.78Å; L579-D583 HydrophobicContact CB-CB 3.99Å; L579-D583 HydrophobicContact CD2-CB 4.25Å; L579-D583 PolarHBondContact O-N 2.82Å; L579-A586 HydrophobicContact CB-CB 3.98Å
580	L	55	Low	65.9	Low	3 Å²	3	37 Å²	37	2%	0.016	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.7	-41	175.5	-93.5	166.8	0	0	0	114.2	F540 D541 H545 D578 N590	F540-L580 HydrophobicContact CD1-CD1 4.47Å; D541-L580 HydrophobicContact CB-CD2 3.49Å; D541-L580 VanDerWaalsContact CB-CD2 3.49Å; D541-L580 WeakPolarHBondContact OD1-CD2 3.42Å; H545-L580 PolarHBondContact NE2-O 3.31Å; H545-L580 VanDerWaalsContact NE2-O 3.16Å; D578-L580 HydrophobicContact CB-CB 4.3Å; D578-L580 HydrophobicContact CB-CD1 3.71Å; D578-L580 HydrophobicContact CB-CG 3.94Å; D578-L580 PolarHBondContact O-N 2.69Å; L580-N590 WeakPolarHBondContact CD2-ND2 3.32Å; L580-N590 WeakPolarHBondContact CG-ND2 3.34Å
581	V	54	Low	66.9	Low	5 Å²	5	28.5 Å²	28.5	3%	0.03	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-23	-174.6	-152.7	0	0	0	0	113.9	A261 S264 R265 I544 L579	A261-V581 VanDerWaalsContact CA-CG1 3.4Å; A261-V581 HydrophobicContact CB-CB 3.68Å; A261-V581 HydrophobicContact CB-CG1 3.5Å; A261-V581 HydrophobicContact CB-CG2 3.98Å; A261-V581 WeakPolarHBondContact O-CG1 3.33Å; S264-V581 WeakPolarHBondContact CB-O 3.29Å; R265-V581 HydrophobicContact CB-CG1 4.38Å; I544-V581 HydrophobicContact CD1-CG2 4.23Å; L579-V581 PolarHBondContact O-N 3.13Å
582	A	50.6	Low	68	Low	37 Å²	37	30.6 Å²	30.6	31%	0.306	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-32.7	-168.6	0	0	0	0	0	114.4	L579	L579-A582 PolarHBondContact O-N 2.78Å
583	D	56.9	Low	68.8	Low	45 Å²	45	33 Å²	33	24%	0.241	17%	0.17	C	C	.	.			trans	-101.9	121.8	-171.2	-175.3	-1	0	0	0	111.2	L579 Q585 A586 A587	L579-D583 HydrophobicContact CB-CB 3.99Å; L579-D583 HydrophobicContact CD2-CB 4.25Å; L579-D583 PolarHBondContact O-N 2.82Å; D583-Q585 PolarHBondContact O-N 3.08Å; D583-Q585 PolarHBondContact OD1-N 3.26Å; D583-A586 HydrophobicContact CB-CB 3.91Å; D583-A586 PolarHBondContact O-N 3.4Å; D583-A587 WeakPolarHBondContact O-CB 3.42Å; D583-A587 PolarHBondContact O-N 3.21Å
584	D	56.2	Low	70.1	Confident	54 Å²	54	29.5 Å²	29.5	29%	0.289	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.6	178.9	64.5	3.9	0	0	0	112.8	R205 L268 Y280	R205-D584 IonicContact NH1-OD2 2.8Å; L268-D584 HydrophobicContact CD2-CB 3.72Å; Y280-D584 PolarHBondContact OH-O 2.86Å
585	Q	61.4	Low	71.3	Confident	116 Å²	116	29 Å²	29	54%	0.542	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-22.4	173.2	-57.1	-166.2	3.9	0	0	113.4	D583	D583-Q585 PolarHBondContact O-N 3.08Å; D583-Q585 PolarHBondContact OD1-N 3.26Å
586	A	66.1	Low	72.8	Confident	17 Å²	17	28.9 Å²	28.9	14%	0.14	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-30.9	-177.6	0	0	0	0	0	113	L579 D583 S589	L579-A586 HydrophobicContact CB-CB 3.98Å; D583-A586 HydrophobicContact CB-CB 3.91Å; D583-A586 PolarHBondContact O-N 3.4Å; A586-S589 WeakPolarHBondContact O-CB 3.42Å; A586-S589 PolarHBondContact O-N 2.66Å
587	A	77.5	Confident	74.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135.3	179.4	0	0	0	0	0	112.2	L268 Y280 H545 D583 S589	L268-A587 HydrophobicContact CD1-CB 3.67Å; Y280-A587 HydrophobicContact CD1-CB 4.06Å; Y280-A587 HydrophobicContact CE1-CB 3.5Å; H545-A587 WeakPolarHBondContact NE2-CB 3.28Å; D583-A587 WeakPolarHBondContact O-CB 3.42Å; D583-A587 PolarHBondContact O-N 3.21Å; A587-S589 PolarHBondContact O-N 3.44Å; A587-S589 VanDerWaalsContact O-N 3.17Å; A587-S589 PolarHBondContact O-OG 2.8Å; A587-S589 VanDerWaalsContact O-OG 3.11Å
588	A	84.4	Confident	76.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.5	-177.7	0	0	0	0	0	113.6	Y280 A281 A284 D541 H545 Y591	Y280-A588 HydrophobicContact CD1-CB 4.3Å; A281-A588 HydrophobicContact CB-CB 4.08Å; A284-A588 HydrophobicContact CB-CB 3.85Å; D541-A588 VanDerWaalsContact CG-N 3.34Å; D541-A588 PolarHBondContact OD1-N 2.67Å; D541-A588 VanDerWaalsContact OD2-C 3.31Å; D541-A588 WeakPolarHBondContact OD2-CA 3.4Å; D541-A588 PolarHBondContact OD2-N 2.62Å; D541-A588 VanDerWaalsContact OD2-N 3.1Å; H545-A588 HydrophobicContact CB-CB 3.95Å; H545-A588 PolarHBondContact CD2-N 3.01Å; A588-Y591 WeakPolarHBondContact O-CE1 3.34Å
589	S	85.8	Confident	78.2	Confident	6 Å²	6	26.6 Å²	26.6	4%	0.042	14%	0.14	C	C	.	.			trans	-132.3	3.4	-175	-59.1	0	0	0	0	113.4	D541 A586 A587 Y591 K592	D541-S589 PolarHBondContact OD2-N 3.36Å; A586-S589 WeakPolarHBondContact O-CB 3.42Å; A586-S589 PolarHBondContact O-N 2.66Å; A587-S589 PolarHBondContact O-N 3.44Å; A587-S589 VanDerWaalsContact O-N 3.17Å; A587-S589 PolarHBondContact O-OG 2.8Å; A587-S589 VanDerWaalsContact O-OG 3.11Å; S589-Y591 VanDerWaalsContact C-N 3.27Å; S589-Y591 PolarHBondContact O-N 2.91Å; S589-K592 WeakPolarHBondContact O-CB 3.28Å; S589-K592 WeakPolarHBondContact O-CD 3.24Å; S589-K592 WeakPolarHBondContact O-CG 3.4Å; S589-K592 PolarHBondContact O-N 3.05Å
590	N	86.5	Confident	80.3	Confident	47 Å²	47	23.4 Å²	23.4	25%	0.251	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.2	179.2	-89	-10.3	0	0	0	113.7	D541 L580 K592	D541-N590 HydrophobicContact CB-CB 4.08Å; D541-N590 WeakPolarHBondContact OD2-CB 3.42Å; D541-N590 PolarHBondContact OD2-N 2.99Å; L580-N590 WeakPolarHBondContact CD2-ND2 3.32Å; L580-N590 WeakPolarHBondContact CG-ND2 3.34Å; N590-K592 PolarHBondContact O-N 3.49Å; N590-K592 VanDerWaalsContact O-N 3.08Å
591	Y	93.3	Very high	82.3	Confident	5 Å²	5	23.2 Å²	23.2	2%	0.02	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.2	178.5	80.3	-90.3	0	0	0	113.7	L285 A290 V296 D479 S538 A588 S589 Q593 L594 W595	L285-Y591 HydrophobicContact CD2-CE1 4.3Å; L285-Y591 VanDerWaalsContact CD2-OH 3.24Å; L285-Y591 WeakPolarHBondContact CD2-OH 3.33Å; L285-Y591 HydrophobicContact CG-CE1 4.43Å; A290-Y591 HydrophobicContact CB-CE2 3.84Å; V296-Y591 HydrophobicContact CB-CD2 4.34Å; V296-Y591 HydrophobicContact CB-CG 4.46Å; V296-Y591 VanDerWaalsContact CG1-CB 3.46Å; V296-Y591 HydrophobicContact CG1-CD1 3.97Å; V296-Y591 HydrophobicContact CG1-CD2 3.48Å; V296-Y591 VanDerWaalsContact CG1-CD2 3.48Å; V296-Y591 HydrophobicContact CG1-CE2 4.23Å; V296-Y591 HydrophobicContact CG1-CG 3.36Å; V296-Y591 HydrophobicContact CG2-CD1 4.4Å; V296-Y591 HydrophobicContact CG2-CD2 3.8Å; V296-Y591 HydrophobicContact CG2-CE1 4.25Å; V296-Y591 HydrophobicContact CG2-CE2 3.67Å; V296-Y591 HydrophobicContact CG2-CG 4.19Å; D479-Y591 HydrophobicContact CB-CE2 3.77Å; S538-Y591 VanDerWaalsContact OG-CA 3.32Å; S538-Y591 WeakPolarHBondContact OG-CA 3.45Å; S538-Y591 PolarHBondContact OG-N 3.16Å; A588-Y591 WeakPolarHBondContact O-CE1 3.34Å; S589-Y591 VanDerWaalsContact C-N 3.27Å; S589-Y591 PolarHBondContact O-N 2.91Å; Y591-Q593 PolarHBondContact O-N 3.19Å; Y591-Q593 VanDerWaalsContact O-N 3.12Å; Y591-L594 PolarHBondContact O-N 2.8Å; Y591-W595 HydrophobicContact CD2-CB 3.85Å; Y591-W595 HydrophobicContact CD2-CE3 4.35Å; Y591-W595 HydrophobicContact CD2-CG 4.39Å; Y591-W595 HydrophobicContact CE2-CB 4.07Å; Y591-W595 HydrophobicContact CE2-CD2 4.37Å; Y591-W595 HydrophobicContact CE2-CE3 4.39Å; Y591-W595 HydrophobicContact CE2-CG 4.23Å; Y591-W595 PolarHBondContact O-N 2.83Å
592	K	92.1	Very high	84.3	Confident	66 Å²	66	23.2 Å²	23.2	29%	0.287	12%	0.122	S	C	.	.	H	α-helix	trans	-53.9	-36.3	-172.8	69.7	-171.2	172.6	-172.3	0	114.1	D479 S589 N590 S596	D479-K592 HydrophobicContact CB-CB 4.27Å; S589-K592 WeakPolarHBondContact O-CB 3.28Å; S589-K592 WeakPolarHBondContact O-CD 3.24Å; S589-K592 WeakPolarHBondContact O-CG 3.4Å; S589-K592 PolarHBondContact O-N 3.05Å; N590-K592 PolarHBondContact O-N 3.49Å; N590-K592 VanDerWaalsContact O-N 3.08Å; K592-S596 VanDerWaalsContact O-CB 3.31Å; K592-S596 WeakPolarHBondContact O-CB 3.37Å; K592-S596 PolarHBondContact O-N 3.32Å; K592-S596 PolarHBondContact O-OG 3.12Å
593	Q	90.4	Very high	86.4	Confident	68 Å²	68	21.4 Å²	21.4	32%	0.318	11%	0.107	S	C	.	.	H	α-helix	trans	-68.5	-48.7	179.6	-65.3	-65.9	-18	0	0	110.2	M482 Y486 Y591 W595 S596 E597	M482-Q593 VanDerWaalsContact CG-OE1 3.25Å; Y486-Q593 WeakPolarHBondContact CE2-O 3.41Å; Y486-Q593 PolarHBondContact OH-OE1 3.48Å; Y591-Q593 PolarHBondContact O-N 3.19Å; Y591-Q593 VanDerWaalsContact O-N 3.12Å; Q593-W595 VanDerWaalsContact C-N 3.35Å; Q593-W595 PolarHBondContact O-N 3.15Å; Q593-S596 PolarHBondContact O-N 2.87Å; Q593-E597 WeakPolarHBondContact O-CB 3.27Å; Q593-E597 PolarHBondContact O-N 3.3Å
594	L	95.3	Very high	88.3	Confident	5 Å²	5	19.3 Å²	19.3	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-61.2	-43.7	175.8	-64.5	174.9	0	0	0	111.4	M299 L531 D534 I535 S538 Y591 E597 V598	M299-L594 HydrophobicContact CE-CB 3.94Å; L531-L594 HydrophobicContact CD1-CD2 3.74Å; D534-L594 HydrophobicContact CB-CD2 4.24Å; I535-L594 HydrophobicContact CB-CD1 4.3Å; I535-L594 HydrophobicContact CG1-CD1 3.82Å; I535-L594 HydrophobicContact CG1-CD2 4.34Å; S538-L594 WeakPolarHBondContact OG-CD1 3.3Å; Y591-L594 PolarHBondContact O-N 2.8Å; L594-E597 PolarHBondContact O-N 3.32Å; L594-V598 WeakPolarHBondContact O-CB 3.35Å; L594-V598 WeakPolarHBondContact O-CG2 3.47Å; L594-V598 PolarHBondContact O-N 2.7Å
595	W	97.2	Very high	90	Very high	8 Å²	8	20.7 Å²	20.7	3%	0.03	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-49.3	178.7	-169.3	-86.4	0	0	0	112	A290 D295 V296 M299 D479 Y591 Q593 E597 V598 V599 P659	A290-W595 VanDerWaalsContact CA-CZ2 3.48Å; A290-W595 HydrophobicContact CB-CD2 3.88Å; A290-W595 HydrophobicContact CB-CE3 3.92Å; A290-W595 HydrophobicContact CB-CH2 3.75Å; A290-W595 HydrophobicContact CB-CZ2 3.69Å; A290-W595 HydrophobicContact CB-CZ3 3.87Å; D295-W595 HydrophobicContact CB-CH2 4.07Å; D295-W595 HydrophobicContact CB-CZ3 4.39Å; V296-W595 HydrophobicContact CG2-CE3 4.44Å; V296-W595 HydrophobicContact CG2-CZ3 4.39Å; M299-W595 HydrophobicContact CB-CE3 4.39Å; M299-W595 HydrophobicContact CB-CZ3 4.18Å; M299-W595 HydrophobicContact CE-CB 4.34Å; M299-W595 HydrophobicContact CE-CE3 3.91Å; M299-W595 HydrophobicContact SD-CB 4.16Å; M299-W595 HydrophobicContact SD-CD2 4.2Å; M299-W595 HydrophobicContact SD-CE3 3.49Å; M299-W595 HydrophobicContact SD-CZ3 4.19Å; D479-W595 HydrophobicContact CB-CG 4.35Å; Y591-W595 HydrophobicContact CD2-CB 3.85Å; Y591-W595 HydrophobicContact CD2-CE3 4.35Å; Y591-W595 HydrophobicContact CD2-CG 4.39Å; Y591-W595 HydrophobicContact CE2-CB 4.07Å; Y591-W595 HydrophobicContact CE2-CD2 4.37Å; Y591-W595 HydrophobicContact CE2-CE3 4.39Å; Y591-W595 HydrophobicContact CE2-CG 4.23Å; Y591-W595 PolarHBondContact O-N 2.83Å; Q593-W595 VanDerWaalsContact C-N 3.35Å; Q593-W595 PolarHBondContact O-N 3.15Å; W595-E597 VanDerWaalsContact C-N 3.28Å; W595-E597 PolarHBondContact O-N 3.3Å; W595-V598 PolarHBondContact O-N 2.9Å; W595-V599 VanDerWaalsContact O-CG2 3.3Å; W595-V599 WeakPolarHBondContact O-CG2 3.1Å; W595-V599 PolarHBondContact O-N 2.77Å; W595-P659 HydrophobicContact CZ2-CG 4.31Å
596	S	96.1	Very high	91.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	10%	0.095	C	C	.	.	H	α-helix	trans	-58.9	-39.9	175.2	-78.8	0	0	0	0	112.4	D479 C480 M482 K592 Q593 A600	D479-S596 PolarHBondContact O-N 2.87Å; D479-S596 PolarHBondContact O-OG 3.17Å; C480-S596 WeakPolarHBondContact CA-OG 3.16Å; M482-S596 VanDerWaalsContact CB-CB 3.49Å; M482-S596 PolarHBondContact N-OG 2.7Å; K592-S596 VanDerWaalsContact O-CB 3.31Å; K592-S596 WeakPolarHBondContact O-CB 3.37Å; K592-S596 PolarHBondContact O-N 3.32Å; K592-S596 PolarHBondContact O-OG 3.12Å; Q593-S596 PolarHBondContact O-N 2.87Å; S596-A600 VanDerWaalsContact O-CB 3.24Å; S596-A600 WeakPolarHBondContact O-CB 3.48Å; S596-A600 PolarHBondContact O-N 2.62Å
597	E	96.2	Very high	92.5	Very high	6 Å²	6	17 Å²	17	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-68.8	-41.5	178.1	-166.4	-179.3	156.2	0	0	111.8	Y486 Q593 L594 W595 A600 C601 M664 R668	Y486-E597 HydrophobicContact CD1-CB 4.42Å; Y486-E597 HydrophobicContact CD1-CG 4.19Å; Y486-E597 HydrophobicContact CD2-CB 3.81Å; Y486-E597 HydrophobicContact CD2-CG 4.4Å; Y486-E597 HydrophobicContact CE1-CG 4.48Å; Y486-E597 HydrophobicContact CE2-CB 3.95Å; Y486-E597 HydrophobicContact CG-CB 4.08Å; Y486-E597 HydrophobicContact CG-CG 4.16Å; Q593-E597 WeakPolarHBondContact O-CB 3.27Å; Q593-E597 PolarHBondContact O-N 3.3Å; L594-E597 PolarHBondContact O-N 3.32Å; W595-E597 VanDerWaalsContact C-N 3.28Å; W595-E597 PolarHBondContact O-N 3.3Å; E597-A600 PolarHBondContact O-N 3.07Å; E597-C601 WeakPolarHBondContact O-CB 3.46Å; E597-C601 PolarHBondContact O-N 3.3Å; E597-C601 PolarHBondContact O-SG 3.39Å; E597-M664 HydrophobicContact CB-SD 4.03Å; E597-M664 HydrophobicContact CG-CG 4.25Å; E597-M664 HydrophobicContact CG-SD 3.83Å; E597-R668 IonicContact OE1-CZ 3.35Å; E597-R668 IonicContact OE1-NE 3.23Å; E597-R668 PolarHBondContact OE1-NE 3.37Å; E597-R668 IonicContact OE1-NH2 2.82Å; E597-R668 PolarHBondContact OE1-NH2 2.84Å; E597-R668 IonicContact OE2-CZ 2.67Å; E597-R668 IonicContact OE2-NH2 3.78Å; E597-R668 PolarHBondContact OE2-NH2 2.92Å
598	V	97.5	Very high	93	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-58.4	-49.7	174	164.6	0	0	0	0	110.6	M299 L303 L594 W595 A600 C601 D602 P659 V661 M664	M299-V598 HydrophobicContact CG-CG2 4.2Å; M299-V598 HydrophobicContact SD-CB 4.27Å; M299-V598 HydrophobicContact SD-CG2 3.9Å; L303-V598 HydrophobicContact CD1-CG2 4.29Å; L594-V598 WeakPolarHBondContact O-CB 3.35Å; L594-V598 WeakPolarHBondContact O-CG2 3.47Å; L594-V598 PolarHBondContact O-N 2.7Å; W595-V598 PolarHBondContact O-N 2.9Å; V598-A600 VanDerWaalsContact C-N 3.35Å; V598-A600 PolarHBondContact O-N 2.85Å; V598-C601 PolarHBondContact O-N 2.82Å; V598-D602 VanDerWaalsContact O-CB 3.32Å; V598-D602 WeakPolarHBondContact O-CB 3.49Å; V598-D602 PolarHBondContact O-N 2.97Å; V598-P659 HydrophobicContact CG1-CB 4.07Å; V598-P659 HydrophobicContact CG1-CG 4.17Å; V598-V661 HydrophobicContact CG1-CG1 4.27Å; V598-V661 HydrophobicContact CG2-CG1 4.33Å; V598-M664 HydrophobicContact CG2-CB 4.23Å; V598-M664 HydrophobicContact CG2-CE 4.15Å; V598-M664 HydrophobicContact CG2-SD 3.82Å
599	V	96.8	Very high	93.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-46.5	175.6	174.2	0	0	0	0	110.8	M289 V483 W595 D602 L603 F650 P659	M289-V599 HydrophobicContact CE-CG2 4.03Å; M289-V599 HydrophobicContact SD-CG2 3.88Å; V483-V599 HydrophobicContact CG1-CG1 3.85Å; V483-V599 HydrophobicContact CG2-CB 3.94Å; V483-V599 HydrophobicContact CG2-CG1 3.8Å; W595-V599 VanDerWaalsContact O-CG2 3.3Å; W595-V599 WeakPolarHBondContact O-CG2 3.1Å; W595-V599 PolarHBondContact O-N 2.77Å; V599-D602 PolarHBondContact O-N 2.83Å; V599-L603 HydrophobicContact CG1-CD1 4Å; V599-L603 HydrophobicContact CG1-CG 4.4Å; V599-L603 WeakPolarHBondContact O-CB 3.42Å; V599-L603 VanDerWaalsContact O-CG 3.26Å; V599-L603 WeakPolarHBondContact O-CG 3.21Å; V599-L603 PolarHBondContact O-N 2.92Å; V599-F650 HydrophobicContact CG1-CD2 3.92Å; V599-F650 HydrophobicContact CG1-CE2 4.22Å; V599-P659 HydrophobicContact CB-CB 4.47Å; V599-P659 HydrophobicContact CG2-CB 3.9Å; V599-P659 HydrophobicContact CG2-CG 3.69Å
600	A	97.3	Very high	93.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-46.2	-179.3	0	0	0	0	0	113	V483 Y486 V487 S596 E597 V598 D602 L603 L604	V483-A600 WeakPolarHBondContact O-CB 2.98Å; Y486-A600 VanDerWaalsContact CB-CB 3.45Å; V487-A600 HydrophobicContact CB-CB 4.49Å; V487-A600 HydrophobicContact CG2-CB 3.63Å; S596-A600 VanDerWaalsContact O-CB 3.24Å; S596-A600 WeakPolarHBondContact O-CB 3.48Å; S596-A600 PolarHBondContact O-N 2.62Å; E597-A600 PolarHBondContact O-N 3.07Å; V598-A600 VanDerWaalsContact C-N 3.35Å; V598-A600 PolarHBondContact O-N 2.85Å; A600-D602 VanDerWaalsContact C-N 3.34Å; A600-L603 WeakPolarHBondContact O-CB 3.26Å; A600-L603 PolarHBondContact O-N 3.37Å; A600-L604 WeakPolarHBondContact O-CG 3.27Å; A600-L604 PolarHBondContact O-N 2.98Å
601	C	96.6	Very high	92.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.4	-36.5	-179.9	-63.7	0	0	0	0	111.7	E597 V598 L604 Q605 M664 M667	E597-C601 WeakPolarHBondContact O-CB 3.46Å; E597-C601 PolarHBondContact O-N 3.3Å; E597-C601 PolarHBondContact O-SG 3.39Å; V598-C601 PolarHBondContact O-N 2.82Å; C601-L604 PolarHBondContact O-N 3.05Å; C601-Q605 PolarHBondContact O-N 2.85Å; C601-M664 HydrophobicContact CB-CB 3.99Å; C601-M667 HydrophobicContact CB-CB 4.49Å; C601-M667 HydrophobicContact CB-CG 4.05Å
602	D	95.5	Very high	92.2	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-68.9	-37.1	175.3	-166.4	20.4	0	0	0	112.2	V598 V599 A600 L604 Q605 A606 F650 R656 P659 S660	V598-D602 VanDerWaalsContact O-CB 3.32Å; V598-D602 WeakPolarHBondContact O-CB 3.49Å; V598-D602 PolarHBondContact O-N 2.97Å; V599-D602 PolarHBondContact O-N 2.83Å; A600-D602 VanDerWaalsContact C-N 3.34Å; D602-L604 PolarHBondContact O-N 3.45Å; D602-Q605 PolarHBondContact O-N 3.48Å; D602-A606 WeakPolarHBondContact O-CB 3.16Å; D602-A606 PolarHBondContact O-N 3.5Å; D602-F650 WeakPolarHBondContact OD2-CZ 2.98Å; D602-R656 IonicContact OD1-CZ 2.99Å; D602-R656 IonicContact OD1-NH1 3.77Å; D602-R656 IonicContact OD1-NH2 2.62Å; D602-R656 PolarHBondContact OD1-NH2 2.81Å; D602-R656 IonicContact OD2-CZ 2.96Å; D602-R656 VanDerWaalsContact OD2-CZ 3.27Å; D602-R656 IonicContact OD2-NH1 3.33Å; D602-R656 PolarHBondContact OD2-NH1 2.84Å; D602-R656 IonicContact OD2-NH2 2.66Å; D602-R656 PolarHBondContact OD2-NH2 3.2Å; D602-P659 HydrophobicContact CB-CB 4.36Å; D602-P659 WeakPolarHBondContact OD2-CA 3.22Å; D602-S660 PolarHBondContact OD2-N 3.28Å
603	L	96.2	Very high	91.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-45.6	170.3	-74	169.4	0	0	0	111.4	V483 V487 V599 A600 Q605 A606 M607 F633 Y637 F650 F653 T654	V483-L603 HydrophobicContact CG1-CD1 3.73Å; V487-L603 HydrophobicContact CG2-CB 4.44Å; V487-L603 HydrophobicContact CG2-CD1 4.2Å; V599-L603 HydrophobicContact CG1-CD1 4Å; V599-L603 HydrophobicContact CG1-CG 4.4Å; V599-L603 WeakPolarHBondContact O-CB 3.42Å; V599-L603 VanDerWaalsContact O-CG 3.26Å; V599-L603 WeakPolarHBondContact O-CG 3.21Å; V599-L603 PolarHBondContact O-N 2.92Å; A600-L603 WeakPolarHBondContact O-CB 3.26Å; A600-L603 PolarHBondContact O-N 3.37Å; L603-Q605 VanDerWaalsContact C-N 3.32Å; L603-Q605 PolarHBondContact O-N 3.43Å; L603-A606 PolarHBondContact O-N 2.87Å; L603-M607 HydrophobicContact CB-CE 4.48Å; L603-M607 WeakPolarHBondContact O-CB 3.43Å; L603-M607 VanDerWaalsContact O-CG 3.27Å; L603-M607 WeakPolarHBondContact O-CG 3.48Å; L603-M607 PolarHBondContact O-N 2.93Å; L603-F633 HydrophobicContact CD1-CE2 4.39Å; L603-Y637 HydrophobicContact CD1-CE1 4.05Å; L603-Y637 HydrophobicContact CD1-CE2 3.85Å; L603-Y637 HydrophobicContact CD2-CE2 3.9Å; L603-F650 HydrophobicContact CD2-CD2 3.76Å; L603-F650 HydrophobicContact CD2-CE2 3.89Å; L603-F650 HydrophobicContact CG-CD2 4.07Å; L603-F650 HydrophobicContact CG-CE2 4.01Å; L603-F653 HydrophobicContact CD2-CB 4.24Å; L603-F653 HydrophobicContact CD2-CD1 3.48Å; L603-F653 VanDerWaalsContact CD2-CD1 3.48Å; L603-F653 HydrophobicContact CD2-CE1 4.08Å; L603-F653 HydrophobicContact CD2-CG 3.95Å; L603-T654 HydrophobicContact CD2-CG2 3.85Å
604	L	95.6	Very high	91.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-39.6	177.1	-70.6	165.5	0	0	0	112.2	V487 N490 L491 A600 C601 D602 M607 G608 V609 M667	V487-L604 HydrophobicContact CG1-CD2 4Å; V487-L604 HydrophobicContact CG1-CG 4.34Å; N490-L604 HydrophobicContact CB-CD1 3.28Å; L491-L604 HydrophobicContact CB-CD2 3.91Å; L491-L604 HydrophobicContact CD1-CD2 4.02Å; L491-L604 HydrophobicContact CG-CD2 4.47Å; A600-L604 WeakPolarHBondContact O-CG 3.27Å; A600-L604 PolarHBondContact O-N 2.98Å; C601-L604 PolarHBondContact O-N 3.05Å; D602-L604 PolarHBondContact O-N 3.45Å; L604-M607 HydrophobicContact CD2-CE 3.75Å; L604-M607 HydrophobicContact CG-CE 4.22Å; L604-M607 PolarHBondContact O-N 3.43Å; L604-G608 PolarHBondContact O-N 3.45Å; L604-V609 HydrophobicContact CB-CG2 4.09Å; L604-V609 HydrophobicContact CD2-CG2 3.41Å; L604-V609 VanDerWaalsContact CD2-CG2 3.41Å; L604-V609 HydrophobicContact CG-CG2 4.35Å; L604-V609 WeakPolarHBondContact O-CG2 3.21Å; L604-V609 PolarHBondContact O-N 2.92Å; L604-M667 HydrophobicContact CB-CE 3.39Å; L604-M667 HydrophobicContact CD1-CE 3.74Å; L604-M667 HydrophobicContact CG-CE 4.17Å
605	Q	91.8	Very high	91.2	Very high	83 Å²	83	26.6 Å²	26.6	39%	0.388	16%	0.156	S	C	.	.	H	α-helix	trans	-64.1	-46.8	174.4	-172.5	170.6	2.1	0	0	111.6	C601 D602 L603 M607 G608 V610	C601-Q605 PolarHBondContact O-N 2.85Å; D602-Q605 PolarHBondContact O-N 3.48Å; L603-Q605 VanDerWaalsContact C-N 3.32Å; L603-Q605 PolarHBondContact O-N 3.43Å; Q605-M607 PolarHBondContact O-N 3.25Å; Q605-G608 PolarHBondContact O-N 2.96Å; Q605-V610 HydrophobicContact CB-CG2 4.4Å
606	A	89.9	Confident	90.7	Very high	52 Å²	52	33 Å²	33	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-62.9	-29.9	176.3	0	0	0	0	0	112.9	D602 L603 G608 T654	D602-A606 WeakPolarHBondContact O-CB 3.16Å; D602-A606 PolarHBondContact O-N 3.5Å; L603-A606 PolarHBondContact O-N 2.87Å; A606-G608 VanDerWaalsContact C-N 3.27Å; A606-G608 PolarHBondContact O-N 2.98Å; A606-T654 HydrophobicContact CB-CG2 3.95Å
607	M	91.4	Very high	90.4	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.02	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.2	174.3	-77.2	-167.9	-70.8	0	0	113.8	V487 L603 L604 Q605 V609 T629 M630 F633 F653	V487-M607 HydrophobicContact CG1-CE 4.26Å; L603-M607 HydrophobicContact CB-CE 4.48Å; L603-M607 WeakPolarHBondContact O-CB 3.43Å; L603-M607 VanDerWaalsContact O-CG 3.27Å; L603-M607 WeakPolarHBondContact O-CG 3.48Å; L603-M607 PolarHBondContact O-N 2.93Å; L604-M607 HydrophobicContact CD2-CE 3.75Å; L604-M607 HydrophobicContact CG-CE 4.22Å; L604-M607 PolarHBondContact O-N 3.43Å; Q605-M607 PolarHBondContact O-N 3.25Å; M607-V609 HydrophobicContact CB-CG1 4.23Å; M607-V609 HydrophobicContact CB-CG2 3.72Å; M607-V609 HydrophobicContact CE-CG2 4.11Å; M607-V609 PolarHBondContact O-N 2.98Å; M607-T629 HydrophobicContact CB-CG2 4.24Å; M607-T629 HydrophobicContact CG-CG2 4.38Å; M607-T629 WeakPolarHBondContact O-CG2 3.45Å; M607-T629 PolarHBondContact O-OG1 3.07Å; M607-M630 HydrophobicContact CE-SD 4.43Å; M607-M630 HydrophobicContact SD-SD 4.01Å; M607-F633 HydrophobicContact CE-CD2 4.22Å; M607-F633 HydrophobicContact SD-CB 3.97Å; M607-F633 HydrophobicContact SD-CD2 4.26Å; M607-F633 HydrophobicContact SD-CG 4.37Å; M607-F653 HydrophobicContact CG-CE1 3.45Å; M607-F653 VanDerWaalsContact CG-CE1 3.45Å; M607-F653 HydrophobicContact CG-CZ 3.41Å; M607-F653 VanDerWaalsContact CG-CZ 3.41Å; M607-F653 HydrophobicContact SD-CE1 4.13Å; M607-F653 HydrophobicContact SD-CZ 3.61Å
608	G	87	Confident	90	Very high	33 Å²	33	36.7 Å²	36.7	34%	0.34	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	16.8	-174.1	0	0	0	0	0	113.9	L604 Q605 A606 V610 S625	L604-G608 PolarHBondContact O-N 3.45Å; Q605-G608 PolarHBondContact O-N 2.96Å; A606-G608 VanDerWaalsContact C-N 3.27Å; A606-G608 PolarHBondContact O-N 2.98Å; G608-V610 PolarHBondContact O-N 3.35Å; G608-S625 WeakPolarHBondContact O-CB 3.08Å
609	V	87.3	Confident	89.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.			trans	-95.3	45.7	-179.4	-63.2	0	0	0	0	111.2	L491 L604 M607 F622 R626	L491-V609 HydrophobicContact CD1-CB 3.98Å; L491-V609 HydrophobicContact CD1-CG2 3.9Å; L604-V609 HydrophobicContact CB-CG2 4.09Å; L604-V609 HydrophobicContact CD2-CG2 3.41Å; L604-V609 VanDerWaalsContact CD2-CG2 3.41Å; L604-V609 HydrophobicContact CG-CG2 4.35Å; L604-V609 WeakPolarHBondContact O-CG2 3.21Å; L604-V609 PolarHBondContact O-N 2.92Å; M607-V609 HydrophobicContact CB-CG1 4.23Å; M607-V609 HydrophobicContact CB-CG2 3.72Å; M607-V609 HydrophobicContact CE-CG2 4.11Å; M607-V609 PolarHBondContact O-N 2.98Å; V609-F622 HydrophobicContact CB-CE2 4.1Å; V609-F622 WeakPolarHBondContact O-CE2 3.27Å; V609-R626 VanDerWaalsContact CG1-CA 3.47Å; V609-R626 HydrophobicContact CG1-CB 3.85Å; V609-R626 HydrophobicContact CG1-CG 4.43Å
610	V	85.7	Confident	89.3	Confident	44 Å²	44	46 Å²	46	27%	0.267	26%	0.256	S	S	.	.	S	Bend	trans	-118.4	118.6	174.7	-168.9	0	0	0	0	107.3	Q605 G608 K612 M667	Q605-V610 HydrophobicContact CB-CG2 4.4Å; G608-V610 PolarHBondContact O-N 3.35Å; V610-K612 PolarHBondContact O-N 2.91Å; V610-M667 HydrophobicContact CB-CE 4.25Å; V610-M667 HydrophobicContact CG1-CE 4.12Å; V610-M667 HydrophobicContact CG1-SD 3.88Å; V610-M667 HydrophobicContact CG2-CE 3.41Å; V610-M667 VanDerWaalsContact CG2-CE 3.41Å; V610-M667 HydrophobicContact CG2-SD 4.28Å
611	S	81.7	Confident	88.9	Confident	25 Å²	25	50.2 Å²	50.2	18%	0.175	28%	0.276	C	S	.	.			trans	-62	121	179.9	-174.2	0	0	0	0	110.8	Q496 G613	Q496-S611 PolarHBondContact NE2-OG 3.32Å; S611-G613 PolarHBondContact OG-O 3.39Å
612	K	78.9	Confident	88.7	Confident	145 Å²	145	50.3 Å²	50.3	63%	0.63	28%	0.276	S	S	*	.			trans	-82.7	-22.4	174.8	-66.6	-174.6	-178.8	173.7	0	113.7	V610	V610-K612 PolarHBondContact O-N 2.91Å
613	G	81.4	Confident	88.5	Confident	17 Å²	17	52.2 Å²	52.2	18%	0.175	29%	0.289	C	S	.	.			trans	-175.8	178.6	-175.3	0	0	0	0	0	111.5	S611 S618	S611-G613 PolarHBondContact OG-O 3.39Å; G613-S618 PolarHBondContact N-OG 3.38Å; G613-S618 WeakPolarHBondContact O-CB 3.42Å
614	T	84.7	Confident	88.2	Confident	57 Å²	57	57.5 Å²	57.5	35%	0.35	32%	0.318	S	S	.	.	S	Bend	trans	-101.5	-1.9	177.7	54.1	0	0	0	0	112.8	L513 L517	L513-T614 HydrophobicContact CB-CG2 3.88Å; L517-T614 HydrophobicContact CB-CG2 4.47Å; L517-T614 HydrophobicContact CD2-CG2 4.05Å
615	D	89.9	Confident	88	Confident	77 Å²	77	58.9 Å²	58.9	41%	0.412	33%	0.327	S	S	.	.	S	Bend	trans	-69.8	158.1	175.6	66.4	-77.3	0	0	0	112.1	A617 S618 V619	D615-A617 VanDerWaalsContact C-N 3.27Å; D615-A617 PolarHBondContact O-N 2.83Å; D615-A617 WeakPolarHBondContact OD2-CB 3.25Å; D615-A617 PolarHBondContact OD2-N 2.99Å; D615-A617 VanDerWaalsContact OD2-N 3.16Å; D615-S618 PolarHBondContact O-N 3.01Å; D615-S618 WeakPolarHBondContact OD1-CB 3.35Å; D615-S618 PolarHBondContact OD1-OG 3.21Å; D615-S618 PolarHBondContact OD2-N 3.14Å; D615-S618 PolarHBondContact OD2-OG 3.02Å; D615-V619 WeakPolarHBondContact O-CG2 3.21Å; D615-V619 PolarHBondContact O-N 3.35Å
616	Q	87.6	Confident	88	Confident	144 Å²	144	56.4 Å²	56.4	67%	0.673	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-32.6	-174.7	-70.3	-169.3	2.1	0	0	113.7	V619 R620	Q616-V619 PolarHBondContact O-N 2.95Å; Q616-R620 VanDerWaalsContact O-CG 3.31Å; Q616-R620 WeakPolarHBondContact O-CG 3.42Å; Q616-R620 PolarHBondContact O-N 3.06Å
617	A	88.9	Confident	88	Confident	69 Å²	69	60.9 Å²	60.9	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-69.8	-45.9	179.6	0	0	0	0	0	110.6	D615 V619 R620 Q621	D615-A617 VanDerWaalsContact C-N 3.27Å; D615-A617 PolarHBondContact O-N 2.83Å; D615-A617 WeakPolarHBondContact OD2-CB 3.25Å; D615-A617 PolarHBondContact OD2-N 2.99Å; D615-A617 VanDerWaalsContact OD2-N 3.16Å; A617-V619 VanDerWaalsContact C-N 3.31Å; A617-V619 PolarHBondContact O-N 2.92Å; A617-R620 PolarHBondContact O-N 3.4Å; A617-Q621 WeakPolarHBondContact O-CB 3.45Å; A617-Q621 PolarHBondContact O-N 3.38Å
618	S	87.5	Confident	87.7	Confident	15 Å²	15	69.1 Å²	69.1	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-58	-41.6	173.2	-68.5	0	0	0	0	112.5	G613 D615 F622	G613-S618 PolarHBondContact N-OG 3.38Å; G613-S618 WeakPolarHBondContact O-CB 3.42Å; D615-S618 PolarHBondContact O-N 3.01Å; D615-S618 WeakPolarHBondContact OD1-CB 3.35Å; D615-S618 PolarHBondContact OD1-OG 3.21Å; D615-S618 PolarHBondContact OD2-N 3.14Å; D615-S618 PolarHBondContact OD2-OG 3.02Å; S618-F622 WeakPolarHBondContact O-CB 3.33Å; S618-F622 PolarHBondContact O-N 3.03Å
619	V	90.3	Very high	87.9	Confident	35 Å²	35	68.7 Å²	68.7	21%	0.212	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-44.9	178.2	174.1	0	0	0	0	111.5	Q496 L513 D615 Q616 A617 F622 C623	Q496-V619 HydrophobicContact CG-CG1 4.29Å; Q496-V619 HydrophobicContact CG-CG2 4.38Å; L513-V619 HydrophobicContact CD1-CG2 3.52Å; D615-V619 WeakPolarHBondContact O-CG2 3.21Å; D615-V619 PolarHBondContact O-N 3.35Å; Q616-V619 PolarHBondContact O-N 2.95Å; A617-V619 VanDerWaalsContact C-N 3.31Å; A617-V619 PolarHBondContact O-N 2.92Å; V619-F622 WeakPolarHBondContact O-CB 3.47Å; V619-F622 PolarHBondContact O-N 3.21Å; V619-C623 PolarHBondContact O-N 3.01Å; V619-C623 PolarHBondContact O-SG 3.13Å; V619-C623 VanDerWaalsContact O-SG 3.35Å
620	R	90.3	Very high	88.2	Confident	162 Å²	162	68.7 Å²	68.7	61%	0.611	35%	0.351	S	S	*	.	H	α-helix	trans	-61.8	-47.8	176.5	-73.2	175.3	-171.5	179	5.6	111.2	Q616 A617 F622 C623 D624	Q616-R620 VanDerWaalsContact O-CG 3.31Å; Q616-R620 WeakPolarHBondContact O-CG 3.42Å; Q616-R620 PolarHBondContact O-N 3.06Å; A617-R620 PolarHBondContact O-N 3.4Å; R620-F622 VanDerWaalsContact C-N 3.29Å; R620-F622 PolarHBondContact O-N 3.47Å; R620-C623 PolarHBondContact O-N 2.82Å; R620-C623 VanDerWaalsContact O-N 3.14Å; R620-D624 PolarHBondContact O-N 3.44Å
621	Q	89	Confident	88.6	Confident	88 Å²	88	69.8 Å²	69.8	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-55.5	-44.4	176.5	176.7	169.7	31.8	0	0	112	A617 S625	A617-Q621 WeakPolarHBondContact O-CB 3.45Å; A617-Q621 PolarHBondContact O-N 3.38Å; Q621-S625 VanDerWaalsContact O-CB 3.28Å; Q621-S625 WeakPolarHBondContact O-CB 3.19Å; Q621-S625 PolarHBondContact O-N 2.93Å; Q621-S625 PolarHBondContact O-OG 3.38Å
622	F	91.9	Very high	89.1	Confident	3 Å²	3	74.2 Å²	74.2	1%	0.013	37%	0.367	C	S	.	.	H	α-helix	trans	-59.5	-49.9	176.6	175.8	-91	0	0	0	111.8	L491 Q494 Q496 H497 V609 S618 V619 R620 S625 R626	L491-F622 HydrophobicContact CD1-CZ 4.47Å; Q494-F622 HydrophobicContact CB-CE2 3.9Å; Q494-F622 HydrophobicContact CB-CZ 3.77Å; Q494-F622 HydrophobicContact CG-CE2 3.72Å; Q494-F622 HydrophobicContact CG-CZ 3.9Å; Q496-F622 HydrophobicContact CB-CD1 3.93Å; Q496-F622 HydrophobicContact CB-CE1 3.81Å; Q496-F622 HydrophobicContact CG-CD1 3.75Å; Q496-F622 HydrophobicContact CG-CE1 4.13Å; Q496-F622 HydrophobicContact CG-CG 4.23Å; H497-F622 AromaticContact CE1-CE1 3.71Å; H497-F622 AromaticContact CE1-CZ 3.52Å; H497-F622 AromaticContact ND1-CZ 3.85Å; H497-F622 AromaticContact NE2-CE1 3.78Å; V609-F622 HydrophobicContact CB-CE2 4.1Å; V609-F622 WeakPolarHBondContact O-CE2 3.27Å; S618-F622 WeakPolarHBondContact O-CB 3.33Å; S618-F622 PolarHBondContact O-N 3.03Å; V619-F622 WeakPolarHBondContact O-CB 3.47Å; V619-F622 PolarHBondContact O-N 3.21Å; R620-F622 VanDerWaalsContact C-N 3.29Å; R620-F622 PolarHBondContact O-N 3.47Å; F622-S625 PolarHBondContact O-N 3.42Å; F622-R626 WeakPolarHBondContact O-CB 3.24Å; F622-R626 PolarHBondContact O-N 3.25Å
623	C	91.1	Very high	89.8	Confident	44 Å²	44	67.3 Å²	67.3	30%	0.297	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-44.3	-179.4	-70	0	0	0	0	112.4	V619 R620 R626 K627	V619-C623 PolarHBondContact O-N 3.01Å; V619-C623 PolarHBondContact O-SG 3.13Å; V619-C623 VanDerWaalsContact O-SG 3.35Å; R620-C623 PolarHBondContact O-N 2.82Å; R620-C623 VanDerWaalsContact O-N 3.14Å; C623-R626 PolarHBondContact O-N 2.79Å; C623-K627 WeakPolarHBondContact O-CB 3.29Å; C623-K627 PolarHBondContact O-N 2.87Å
624	D	90.4	Very high	90.3	Very high	111 Å²	111	68.3 Å²	68.3	59%	0.594	34%	0.337	S	S	*	.	H	α-helix	trans	-64.8	-43.5	179.3	-68.4	-21.9	0	0	0	111.2	R620 K627 K628	R620-D624 PolarHBondContact O-N 3.44Å; D624-K627 PolarHBondContact O-N 2.75Å; D624-K628 WeakPolarHBondContact O-CB 3.42Å; D624-K628 PolarHBondContact O-N 2.73Å; D624-K628 VanDerWaalsContact O-N 3.11Å
625	S	90.9	Very high	90.6	Very high	28 Å²	28	74 Å²	74	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-63.9	-45.5	177.8	-56.7	0	0	0	0	110.6	G608 Q621 F622 K627 K628 T629	G608-S625 WeakPolarHBondContact O-CB 3.08Å; Q621-S625 VanDerWaalsContact O-CB 3.28Å; Q621-S625 WeakPolarHBondContact O-CB 3.19Å; Q621-S625 PolarHBondContact O-N 2.93Å; Q621-S625 PolarHBondContact O-OG 3.38Å; F622-S625 PolarHBondContact O-N 3.42Å; S625-K627 PolarHBondContact O-N 3.48Å; S625-K628 PolarHBondContact O-N 3.27Å; S625-T629 WeakPolarHBondContact O-CB 3.33Å; S625-T629 WeakPolarHBondContact O-CG2 2.81Å; S625-T629 PolarHBondContact O-N 3.4Å; S625-T629 PolarHBondContact O-OG1 2.87Å
626	R	93	Very high	90.6	Very high	32 Å²	32	71.6 Å²	71.6	12%	0.121	34%	0.341	C	S	.	.	H	α-helix	trans	-56.4	-51.2	175.7	-175.6	-169	75.4	-174.3	-0.1	111.6	D392 M393 H497 V609 F622 C623 K628 T629 M630	D392-R626 IonicContact OD2-CZ 3.83Å; D392-R626 IonicContact OD2-NE 2.78Å; D392-R626 IonicContact OD2-NH2 2.9Å; D392-R626 PolarHBondContact OD2-NH2 3.23Å; M393-R626 HydrophobicContact CG-CG 4.18Å; M393-R626 HydrophobicContact SD-CG 4.33Å; H497-R626 PolarHBondContact CD2-NH1 2.89Å; H497-R626 WeakPolarHBondContact NE2-CD 3.43Å; H497-R626 PolarHBondContact NE2-NH1 3.14Å; V609-R626 VanDerWaalsContact CG1-CA 3.47Å; V609-R626 HydrophobicContact CG1-CB 3.85Å; V609-R626 HydrophobicContact CG1-CG 4.43Å; F622-R626 WeakPolarHBondContact O-CB 3.24Å; F622-R626 PolarHBondContact O-N 3.25Å; C623-R626 PolarHBondContact O-N 2.79Å; R626-K628 VanDerWaalsContact C-N 3.26Å; R626-K628 PolarHBondContact O-N 3.04Å; R626-T629 PolarHBondContact O-N 3.27Å; R626-M630 HydrophobicContact CG-CG 3.7Å; R626-M630 WeakPolarHBondContact O-CB 3.39Å; R626-M630 VanDerWaalsContact O-CG 3.28Å; R626-M630 WeakPolarHBondContact O-CG 3.06Å; R626-M630 PolarHBondContact O-N 2.96Å
627	K	88.1	Confident	90.8	Very high	145 Å²	145	65 Å²	65	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-60.3	-37	-178.5	-170.4	172.8	-177.4	174.5	0	112	C623 D624 S625	C623-K627 WeakPolarHBondContact O-CB 3.29Å; C623-K627 PolarHBondContact O-N 2.87Å; D624-K627 PolarHBondContact O-N 2.75Å; S625-K627 PolarHBondContact O-N 3.48Å
628	K	86.2	Confident	90.8	Very high	178 Å²	178	61.7 Å²	61.7	77%	0.774	28%	0.283	S	S	*	.	H	α-helix	trans	-74.2	-34.6	178.9	-171.9	177.2	179.4	179.3	0	113.2	D624 S625 R626	D624-K628 WeakPolarHBondContact O-CB 3.42Å; D624-K628 PolarHBondContact O-N 2.73Å; D624-K628 VanDerWaalsContact O-N 3.11Å; S625-K628 PolarHBondContact O-N 3.27Å; R626-K628 VanDerWaalsContact C-N 3.26Å; R626-K628 PolarHBondContact O-N 3.04Å
629	T	91.8	Very high	90.7	Very high	24 Å²	24	61.3 Å²	61.3	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-102.3	-27.4	-167.7	58.6	0	0	0	0	114.8	M607 S625 R626 L631 R632 F633	M607-T629 HydrophobicContact CB-CG2 4.24Å; M607-T629 HydrophobicContact CG-CG2 4.38Å; M607-T629 WeakPolarHBondContact O-CG2 3.45Å; M607-T629 PolarHBondContact O-OG1 3.07Å; S625-T629 WeakPolarHBondContact O-CB 3.33Å; S625-T629 WeakPolarHBondContact O-CG2 2.81Å; S625-T629 PolarHBondContact O-N 3.4Å; S625-T629 PolarHBondContact O-OG1 2.87Å; R626-T629 PolarHBondContact O-N 3.27Å; T629-L631 PolarHBondContact O-N 2.97Å; T629-R632 WeakPolarHBondContact O-CA 3.28Å; T629-R632 WeakPolarHBondContact O-CB 3.45Å; T629-R632 PolarHBondContact O-N 3.36Å; T629-F633 PolarHBondContact O-N 3.19Å
630	M	93.8	Very high	89.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-31.5	-176.5	-68.7	-51	-55.7	0	0	113.8	M393 F394 L491 M607 R626 R632 F633 K634	M393-M630 HydrophobicContact CB-CB 4.16Å; M393-M630 HydrophobicContact CB-CG 4.25Å; M393-M630 HydrophobicContact CG-CG 4.29Å; M393-M630 WeakPolarHBondContact O-CB 3.46Å; M393-M630 HydrophobicContact SD-CG 4.41Å; F394-M630 HydrophobicContact CD1-CE 4.38Å; F394-M630 HydrophobicContact CE1-CE 3.32Å; F394-M630 HydrophobicContact CZ-CE 3.4Å; F394-M630 VanDerWaalsContact CZ-CE 3.4Å; L491-M630 HydrophobicContact CD2-CE 3.65Å; L491-M630 HydrophobicContact CD2-SD 3.69Å; M607-M630 HydrophobicContact CE-SD 4.43Å; M607-M630 HydrophobicContact SD-SD 4.01Å; R626-M630 HydrophobicContact CG-CG 3.7Å; R626-M630 WeakPolarHBondContact O-CB 3.39Å; R626-M630 VanDerWaalsContact O-CG 3.28Å; R626-M630 WeakPolarHBondContact O-CG 3.06Å; R626-M630 PolarHBondContact O-N 2.96Å; M630-R632 VanDerWaalsContact C-N 3.31Å; M630-R632 PolarHBondContact O-N 2.8Å; M630-F633 HydrophobicContact CE-CB 4.23Å; M630-F633 HydrophobicContact CE-CD1 3.89Å; M630-F633 HydrophobicContact CE-CG 4.26Å; M630-F633 WeakPolarHBondContact O-CB 3.35Å; M630-F633 PolarHBondContact O-N 3.5Å; M630-K634 PolarHBondContact O-N 3.33Å
631	L	92.3	Very high	88.7	Confident	66 Å²	66	54.6 Å²	54.6	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-33.7	171.3	-67.9	179.4	0	0	0	112.5	D395 T629 R635	D395-L631 HydrophobicContact CB-CD2 3.7Å; T629-L631 PolarHBondContact O-N 2.97Å; L631-R635 WeakPolarHBondContact O-CG 3.2Å; L631-R635 PolarHBondContact O-N 2.85Å; L631-R635 VanDerWaalsContact O-N 3.11Å
632	R	92.2	Very high	87.9	Confident	119 Å²	119	51.2 Å²	51.2	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-67.8	-41.5	171.8	-171.1	-176	-179	-176.6	-0.3	110.1	T629 M630 R635 C636 R652 F653	T629-R632 WeakPolarHBondContact O-CA 3.28Å; T629-R632 WeakPolarHBondContact O-CB 3.45Å; T629-R632 PolarHBondContact O-N 3.36Å; M630-R632 VanDerWaalsContact C-N 3.31Å; M630-R632 PolarHBondContact O-N 2.8Å; R632-R635 PolarHBondContact O-N 3.38Å; R632-C636 PolarHBondContact O-N 3.36Å; R632-C636 PolarHBondContact O-SG 3.34Å; R632-R652 PolarHBondContact NH2-O 3.39Å; R632-F653 HydrophobicContact CB-CE2 4.1Å; R632-F653 HydrophobicContact CG-CD2 4.13Å; R632-F653 HydrophobicContact CG-CE2 3.75Å; R632-F653 PolarHBondContact NH1-O 3.09Å; R632-F653 PolarHBondContact NH2-O 2.81Å
633	F	94.3	Very high	87.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-45.2	176.5	-176.7	-95.5	0	0	0	111.3	F394 V484 V487 L488 L603 M607 T629 M630 R635 C636 Y637 L638 F653	F394-F633 HydrophobicContact CE1-CD1 4.1Å; V484-F633 HydrophobicContact CG1-CE1 4.38Å; V484-F633 HydrophobicContact CG1-CZ 4.34Å; V484-F633 HydrophobicContact CG2-CZ 4.07Å; V487-F633 HydrophobicContact CB-CE2 4.25Å; V487-F633 HydrophobicContact CB-CZ 3.9Å; V487-F633 HydrophobicContact CG1-CD2 4.47Å; V487-F633 HydrophobicContact CG1-CE1 4.09Å; V487-F633 HydrophobicContact CG1-CE2 3.83Å; V487-F633 HydrophobicContact CG1-CZ 3.59Å; V487-F633 HydrophobicContact CG2-CE2 3.94Å; V487-F633 HydrophobicContact CG2-CZ 4.03Å; L488-F633 HydrophobicContact CD2-CE1 4.35Å; L603-F633 HydrophobicContact CD1-CE2 4.39Å; M607-F633 HydrophobicContact CE-CD2 4.22Å; M607-F633 HydrophobicContact SD-CB 3.97Å; M607-F633 HydrophobicContact SD-CD2 4.26Å; M607-F633 HydrophobicContact SD-CG 4.37Å; T629-F633 PolarHBondContact O-N 3.19Å; M630-F633 HydrophobicContact CE-CB 4.23Å; M630-F633 HydrophobicContact CE-CD1 3.89Å; M630-F633 HydrophobicContact CE-CG 4.26Å; M630-F633 WeakPolarHBondContact O-CB 3.35Å; M630-F633 PolarHBondContact O-N 3.5Å; F633-R635 VanDerWaalsContact C-N 3.34Å; F633-R635 PolarHBondContact O-N 3.32Å; F633-C636 PolarHBondContact O-N 2.88Å; F633-Y637 AromaticContact CD2-CD2 3.73Å; F633-Y637 HydrophobicContact CD2-CD2 3.73Å; F633-Y637 HydrophobicContact CD2-CE2 4.5Å; F633-Y637 HydrophobicContact CD2-CG 4.17Å; F633-Y637 HydrophobicContact CE2-CD1 4.44Å; F633-Y637 AromaticContact CE2-CD2 3.66Å; F633-Y637 HydrophobicContact CE2-CD2 3.66Å; F633-Y637 HydrophobicContact CE2-CE2 4.39Å; F633-Y637 AromaticContact CE2-CG 3.7Å; F633-Y637 HydrophobicContact CE2-CG 3.7Å; F633-Y637 HydrophobicContact CZ-CG 4.14Å; F633-Y637 PolarHBondContact O-N 2.7Å; F633-L638 HydrophobicContact CD1-CD1 4.42Å; F633-L638 HydrophobicContact CD1-CG 4.43Å; F633-L638 HydrophobicContact CE1-CD1 4.43Å; F633-L638 HydrophobicContact CE1-CD2 4.29Å; F633-L638 HydrophobicContact CE1-CG 4.24Å; F633-F653 HydrophobicContact CB-CE2 4.11Å; F633-F653 HydrophobicContact CB-CZ 4.36Å; F633-F653 HydrophobicContact CD2-CE2 4.46Å
634	K	92.7	Very high	86.9	Confident	37 Å²	37	52 Å²	52	16%	0.161	25%	0.25	C	C	.	.	I	π-helix	trans	-52.2	-51.3	171.6	180	178.3	178.3	-178.4	0	111.6	F394 D395 M630 C636 L638 A639	F394-K634 HydrophobicContact CB-CD 4.3Å; F394-K634 HydrophobicContact CD1-CB 4.06Å; F394-K634 WeakPolarHBondContact O-CD 3.39Å; F394-K634 WeakPolarHBondContact O-CE 3.31Å; F394-K634 PolarHBondContact O-NZ 3.25Å; D395-K634 PolarHBondContact O-NZ 3.47Å; M630-K634 PolarHBondContact O-N 3.33Å; K634-C636 VanDerWaalsContact C-N 3.33Å; K634-C636 PolarHBondContact O-N 3.44Å; K634-L638 HydrophobicContact CB-CD1 4.37Å; K634-L638 HydrophobicContact CG-CB 4.45Å; K634-L638 CarbonylContact O-C 3.49Å; K634-L638 WeakPolarHBondContact O-CA 3.43Å; K634-L638 WeakPolarHBondContact O-CB 3.11Å; K634-L638 PolarHBondContact O-N 3.34Å; K634-L638 VanDerWaalsContact O-N 3.1Å; K634-A639 WeakPolarHBondContact O-CB 3.24Å; K634-A639 PolarHBondContact O-N 3.28Å
635	R	90.5	Very high	86.7	Confident	176 Å²	176	50.6 Å²	50.6	66%	0.664	25%	0.245	S	C	*	.	I	π-helix	trans	-61.8	-38.2	-178.2	-71.8	173.3	-171.8	174.7	3.1	113	L631 R632 F633 T640	L631-R635 WeakPolarHBondContact O-CG 3.2Å; L631-R635 PolarHBondContact O-N 2.85Å; L631-R635 VanDerWaalsContact O-N 3.11Å; R632-R635 PolarHBondContact O-N 3.38Å; F633-R635 VanDerWaalsContact C-N 3.34Å; F633-R635 PolarHBondContact O-N 3.32Å; R635-T640 WeakPolarHBondContact O-CG2 3.31Å; R635-T640 PolarHBondContact O-OG1 3.44Å
636	C	90.4	Very high	86.7	Confident	28 Å²	28	49.5 Å²	49.5	19%	0.189	24%	0.237	C	C	.	.	I	π-helix	trans	-89.4	-38.4	-174.4	-65.9	0	0	0	0	114.4	R632 F633 K634 T640 T649 F653	R632-C636 PolarHBondContact O-N 3.36Å; R632-C636 PolarHBondContact O-SG 3.34Å; F633-C636 PolarHBondContact O-N 2.88Å; K634-C636 VanDerWaalsContact C-N 3.33Å; K634-C636 PolarHBondContact O-N 3.44Å; C636-T640 PolarHBondContact O-OG1 3.33Å; C636-T649 HydrophobicContact CB-CG2 4.19Å; C636-T649 VanDerWaalsContact O-CG2 3.31Å; C636-T649 WeakPolarHBondContact O-CG2 3.07Å; C636-F653 HydrophobicContact CB-CD2 4Å
637	Y	91	Very high	86.5	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.016	24%	0.236	C	C	.	.	I	π-helix	trans	-113.4	-19.9	-169.3	-80.1	-86.8	0	0	0	114.5	V483 V484 L603 F633 T649 F650 F653	V483-Y637 HydrophobicContact CG1-CD1 4.45Å; V483-Y637 HydrophobicContact CG1-CE1 4.05Å; V484-Y637 HydrophobicContact CG2-CD1 4.22Å; L603-Y637 HydrophobicContact CD1-CE1 4.05Å; L603-Y637 HydrophobicContact CD1-CE2 3.85Å; L603-Y637 HydrophobicContact CD2-CE2 3.9Å; F633-Y637 AromaticContact CD2-CD2 3.73Å; F633-Y637 HydrophobicContact CD2-CD2 3.73Å; F633-Y637 HydrophobicContact CD2-CE2 4.5Å; F633-Y637 HydrophobicContact CD2-CG 4.17Å; F633-Y637 HydrophobicContact CE2-CD1 4.44Å; F633-Y637 AromaticContact CE2-CD2 3.66Å; F633-Y637 HydrophobicContact CE2-CD2 3.66Å; F633-Y637 HydrophobicContact CE2-CE2 4.39Å; F633-Y637 AromaticContact CE2-CG 3.7Å; F633-Y637 HydrophobicContact CE2-CG 3.7Å; F633-Y637 HydrophobicContact CZ-CG 4.14Å; F633-Y637 PolarHBondContact O-N 2.7Å; Y637-T649 HydrophobicContact CD1-CG2 4.18Å; Y637-T649 HydrophobicContact CD2-CG2 4.08Å; Y637-T649 HydrophobicContact CE1-CG2 3.88Å; Y637-T649 HydrophobicContact CE2-CG2 3.77Å; Y637-T649 HydrophobicContact CG-CG2 4.27Å; Y637-F650 WeakPolarHBondContact OH-CA 3.44Å; Y637-F650 PolarHBondContact OH-N 2.74Å; Y637-F653 HydrophobicContact CD2-CD2 4.4Å; Y637-F653 HydrophobicContact CE2-CB 4.21Å; Y637-F653 HydrophobicContact CE2-CD2 4.19Å; Y637-F653 HydrophobicContact CE2-CG 4.2Å
638	L	89.6	Confident	86.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-106.9	-40.5	-180	-54.2	179.4	0	0	0	112.1	F394 L458 Q459 L462 T463 V484 F633 K634	F394-L638 HydrophobicContact CD1-CD1 3.88Å; F394-L638 HydrophobicContact CE1-CD1 3.59Å; F394-L638 HydrophobicContact CZ-CD1 4.04Å; L458-L638 HydrophobicContact CB-CD1 4.37Å; L458-L638 HydrophobicContact CB-CD2 4.24Å; Q459-L638 HydrophobicContact CG-CD2 3.9Å; L462-L638 CarbonylContact C-O 3.49Å; L462-L638 HydrophobicContact CB-CB 4.14Å; L462-L638 HydrophobicContact CD1-CB 4.47Å; L462-L638 HydrophobicContact CD1-CD1 3.91Å; T463-L638 VanDerWaalsContact CA-O 3.24Å; T463-L638 WeakPolarHBondContact CA-O 3.35Å; T463-L638 PolarHBondContact N-O 3.28Å; V484-L638 HydrophobicContact CG1-CD2 3.68Å; V484-L638 HydrophobicContact CG2-CD2 4.47Å; F633-L638 HydrophobicContact CD1-CD1 4.42Å; F633-L638 HydrophobicContact CD1-CG 4.43Å; F633-L638 HydrophobicContact CE1-CD1 4.43Å; F633-L638 HydrophobicContact CE1-CD2 4.29Å; F633-L638 HydrophobicContact CE1-CG 4.24Å; K634-L638 HydrophobicContact CB-CD1 4.37Å; K634-L638 HydrophobicContact CG-CB 4.45Å; K634-L638 CarbonylContact O-C 3.49Å; K634-L638 WeakPolarHBondContact O-CA 3.43Å; K634-L638 WeakPolarHBondContact O-CB 3.11Å; K634-L638 PolarHBondContact O-N 3.34Å; K634-L638 VanDerWaalsContact O-N 3.1Å
639	A	84.9	Confident	86.7	Confident	8 Å²	8	35.1 Å²	35.1	7%	0.066	18%	0.178	C	C	.	.	S	Bend	trans	-89.3	-30.4	-174.3	0	0	0	0	0	114.6	L462 R464 K634	L462-A639 WeakPolarHBondContact O-CA 3.23Å; R464-A639 WeakPolarHBondContact CB-O 3.42Å; R464-A639 HydrophobicContact CG-CB 4.18Å; R464-A639 PolarHBondContact N-O 3.4Å; K634-A639 WeakPolarHBondContact O-CB 3.24Å; K634-A639 PolarHBondContact O-N 3.28Å
640	T	72.5	Confident	86.8	Confident	52 Å²	52	34 Å²	34	32%	0.319	17%	0.171	S	C	.	.	S	Bend	trans	-110.7	22.4	-174.9	54.3	0	0	0	0	113.3	R635 C636 S643	R635-T640 WeakPolarHBondContact O-CG2 3.31Å; R635-T640 PolarHBondContact O-OG1 3.44Å; C636-T640 PolarHBondContact O-OG1 3.33Å; T640-S643 PolarHBondContact O-N 2.82Å; T640-S643 PolarHBondContact O-OG 3.49Å
641	D	65.1	Low	86.6	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	143.9	-173.6	73.6	-26.5	0	0	0	112.1	T463 M465 L470 A471 S643	T463-D641 WeakPolarHBondContact CB-OD1 3.16Å; T463-D641 PolarHBondContact OG1-OD1 3.3Å; M465-D641 WeakPolarHBondContact CE-O 3.42Å; M465-D641 WeakPolarHBondContact CG-O 3.48Å; M465-D641 WeakPolarHBondContact CG-OD1 3.25Å; M465-D641 VanDerWaalsContact SD-O 3.4Å; L470-D641 CarbonylContact O-C 3.48Å; A471-D641 VanDerWaalsContact C-OD2 3.27Å; D641-S643 PolarHBondContact O-N 2.97Å
642	G	72.2	Confident	86.4	Confident	17 Å²	17	42.8 Å²	42.8	18%	0.175	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-16.8	-179.6	0	0	0	0	0	118.1
643	S	77.6	Confident	86.3	Confident	26 Å²	26	37.5 Å²	37.5	18%	0.182	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-30	179.9	63	0	0	0	0	113.8	T640 D641	T640-S643 PolarHBondContact O-N 2.82Å; T640-S643 PolarHBondContact O-OG 3.49Å; D641-S643 PolarHBondContact O-N 2.97Å
644	L	84.7	Confident	86	Confident	38 Å²	38	38.9 Å²	38.9	20%	0.199	19%	0.189	C	C	.	.	S	Bend	trans	-123.6	153.3	-178.2	-59.6	174.9	0	0	0	109.4	E648	L644-E648 HydrophobicContact CB-CB 4.26Å; L644-E648 HydrophobicContact CB-CG 4.17Å; L644-E648 HydrophobicContact CD1-CG 4.15Å; L644-E648 HydrophobicContact CD2-CG 4.19Å; L644-E648 HydrophobicContact CG-CG 4.41Å
645	T	87.3	Confident	85.7	Confident	80 Å²	80	40.2 Å²	40.2	49%	0.491	21%	0.213	S	C	.	.			trans	-64.2	150.4	168.9	62.6	0	0	0	0	110.1	E477 S647 E648 T649	E477-T645 VanDerWaalsContact OE1-CA 3.22Å; E477-T645 WeakPolarHBondContact OE1-CA 3.48Å; E477-T645 VanDerWaalsContact OE1-CB 3.29Å; E477-T645 WeakPolarHBondContact OE1-CB 3.39Å; T645-S647 VanDerWaalsContact C-N 3.25Å; T645-S647 PolarHBondContact O-N 3.4Å; T645-E648 WeakPolarHBondContact O-CA 3.29Å; T645-E648 VanDerWaalsContact O-CB 3.32Å; T645-E648 WeakPolarHBondContact O-CB 3.01Å; T645-E648 PolarHBondContact O-N 3.29Å; T645-E648 WeakPolarHBondContact OG1-CB 3.43Å; T645-E648 PolarHBondContact OG1-N 3.06Å; T645-T649 PolarHBondContact O-N 3.45Å; T645-T649 PolarHBondContact O-OG1 2.75Å
646	Q	89.5	Confident	85.4	Confident	5 Å²	5	36.2 Å²	36.2	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-29.7	-177.6	-71.6	-70.9	-47.2	0	0	112.3	M289 E477 C480 E648 T649 F650	M289-Q646 HydrophobicContact CB-CB 4.34Å; M289-Q646 HydrophobicContact CG-CB 4.39Å; M289-Q646 HydrophobicContact SD-CB 4.05Å; E477-Q646 PolarHBondContact OE1-N 3.42Å; E477-Q646 WeakPolarHBondContact OE2-CB 3.41Å; E477-Q646 WeakPolarHBondContact OE2-CG 3.37Å; E477-Q646 PolarHBondContact OE2-N 3.08Å; C480-Q646 HydrophobicContact CB-CB 3.98Å; C480-Q646 HydrophobicContact CB-CG 3.6Å; Q646-E648 VanDerWaalsContact C-N 3.32Å; Q646-E648 PolarHBondContact O-N 3.36Å; Q646-T649 PolarHBondContact O-N 3.19Å; Q646-F650 WeakPolarHBondContact O-CB 3.48Å; Q646-F650 PolarHBondContact O-N 3.35Å
647	S	90.2	Very high	84.8	Confident	15 Å²	15	37.2 Å²	37.2	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-39.6	168.6	-53.4	0	0	0	0	112.5	M289 T645 R651	M289-S647 WeakPolarHBondContact CG-OG 3.32Å; T645-S647 VanDerWaalsContact C-N 3.25Å; T645-S647 PolarHBondContact O-N 3.4Å; S647-R651 WeakPolarHBondContact O-CB 3.42Å; S647-R651 PolarHBondContact O-N 3.45Å
648	E	88.6	Confident	84.4	Confident	34 Å²	34	39.3 Å²	39.3	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-69.2	-47.2	176.9	-179.2	64.9	-153.3	0	0	111.2	L644 T645 Q646 F650 R651 R652	L644-E648 HydrophobicContact CB-CB 4.26Å; L644-E648 HydrophobicContact CB-CG 4.17Å; L644-E648 HydrophobicContact CD1-CG 4.15Å; L644-E648 HydrophobicContact CD2-CG 4.19Å; L644-E648 HydrophobicContact CG-CG 4.41Å; T645-E648 WeakPolarHBondContact O-CA 3.29Å; T645-E648 VanDerWaalsContact O-CB 3.32Å; T645-E648 WeakPolarHBondContact O-CB 3.01Å; T645-E648 PolarHBondContact O-N 3.29Å; T645-E648 WeakPolarHBondContact OG1-CB 3.43Å; T645-E648 PolarHBondContact OG1-N 3.06Å; Q646-E648 VanDerWaalsContact C-N 3.32Å; Q646-E648 PolarHBondContact O-N 3.36Å; E648-F650 VanDerWaalsContact C-N 3.33Å; E648-F650 PolarHBondContact O-N 2.97Å; E648-R651 PolarHBondContact O-N 3.08Å; E648-R651 IonicContact OE1-CZ 3.69Å; E648-R651 IonicContact OE1-NH2 3.1Å; E648-R651 PolarHBondContact OE1-NH2 3.17Å; E648-R651 IonicContact OE2-CZ 3.6Å; E648-R651 IonicContact OE2-NH1 2.83Å; E648-R651 PolarHBondContact OE2-NH1 2.71Å; E648-R651 IonicContact OE2-NH2 3.96Å; E648-R651 PolarHBondContact OE2-NH2 3.04Å; E648-R652 WeakPolarHBondContact O-CG 3.42Å; E648-R652 PolarHBondContact O-N 3.3Å; E648-R652 IonicContact OE1-CZ 3.69Å; E648-R652 IonicContact OE1-NE 3.4Å; E648-R652 PolarHBondContact OE1-NE 2.74Å; E648-R652 IonicContact OE1-NH2 3.52Å; E648-R652 PolarHBondContact OE1-NH2 3.38Å
649	T	90.5	Very high	84.3	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-46.3	177.4	-56.7	0	0	0	0	110.9	C636 Y637 T645 Q646 R652 F653	C636-T649 HydrophobicContact CB-CG2 4.19Å; C636-T649 VanDerWaalsContact O-CG2 3.31Å; C636-T649 WeakPolarHBondContact O-CG2 3.07Å; Y637-T649 HydrophobicContact CD1-CG2 4.18Å; Y637-T649 HydrophobicContact CD2-CG2 4.08Å; Y637-T649 HydrophobicContact CE1-CG2 3.88Å; Y637-T649 HydrophobicContact CE2-CG2 3.77Å; Y637-T649 HydrophobicContact CG-CG2 4.27Å; T645-T649 PolarHBondContact O-N 3.45Å; T645-T649 PolarHBondContact O-OG1 2.75Å; Q646-T649 PolarHBondContact O-N 3.19Å; T649-R652 PolarHBondContact O-N 3.22Å; T649-F653 WeakPolarHBondContact O-CB 3.09Å; T649-F653 PolarHBondContact O-N 3.21Å
650	F	92.6	Very high	84.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-46.5	176	-175.4	-95.4	0	0	0	111.5	M289 V599 D602 L603 Y637 Q646 E648 R652 F653 T654 R656 L658 P659	M289-F650 HydrophobicContact CE-CB 3.73Å; M289-F650 HydrophobicContact CE-CD1 4.21Å; M289-F650 HydrophobicContact CE-CD2 4.31Å; M289-F650 HydrophobicContact CE-CG 3.83Å; V599-F650 HydrophobicContact CG1-CD2 3.92Å; V599-F650 HydrophobicContact CG1-CE2 4.22Å; D602-F650 WeakPolarHBondContact OD2-CZ 2.98Å; L603-F650 HydrophobicContact CD2-CD2 3.76Å; L603-F650 HydrophobicContact CD2-CE2 3.89Å; L603-F650 HydrophobicContact CG-CD2 4.07Å; L603-F650 HydrophobicContact CG-CE2 4.01Å; Y637-F650 WeakPolarHBondContact OH-CA 3.44Å; Y637-F650 PolarHBondContact OH-N 2.74Å; Q646-F650 WeakPolarHBondContact O-CB 3.48Å; Q646-F650 PolarHBondContact O-N 3.35Å; E648-F650 VanDerWaalsContact C-N 3.33Å; E648-F650 PolarHBondContact O-N 2.97Å; F650-R652 PolarHBondContact O-N 3.46Å; F650-F653 PolarHBondContact O-N 2.81Å; F650-T654 HydrophobicContact CD2-CG2 4.09Å; F650-T654 HydrophobicContact CE1-CG2 4.1Å; F650-T654 VanDerWaalsContact CE1-OG1 3.24Å; F650-T654 WeakPolarHBondContact CE1-OG1 3.49Å; F650-T654 HydrophobicContact CE2-CG2 3.66Å; F650-T654 HydrophobicContact CG-CG2 4.49Å; F650-T654 HydrophobicContact CZ-CG2 3.65Å; F650-T654 PolarHBondContact O-N 2.81Å; F650-T654 PolarHBondContact O-OG1 2.87Å; F650-R656 WeakPolarHBondContact CD1-O 3.49Å; F650-R656 HydrophobicContact CE1-CB 4.2Å; F650-L658 WeakPolarHBondContact CE1-O 3.22Å; F650-P659 HydrophobicContact CE2-CB 4.23Å; F650-P659 HydrophobicContact CZ-CB 3.95Å
651	R	90.4	Very high	85.4	Confident	112 Å²	112	40 Å²	40	42%	0.423	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-42.2	177.9	-168.8	178.1	78.6	-108.1	2.2	112.8	S647 E648 F653 G655 R656	S647-R651 WeakPolarHBondContact O-CB 3.42Å; S647-R651 PolarHBondContact O-N 3.45Å; E648-R651 PolarHBondContact O-N 3.08Å; E648-R651 IonicContact OE1-CZ 3.69Å; E648-R651 IonicContact OE1-NH2 3.1Å; E648-R651 PolarHBondContact OE1-NH2 3.17Å; E648-R651 IonicContact OE2-CZ 3.6Å; E648-R651 IonicContact OE2-NH1 2.83Å; E648-R651 PolarHBondContact OE2-NH1 2.71Å; E648-R651 IonicContact OE2-NH2 3.96Å; E648-R651 PolarHBondContact OE2-NH2 3.04Å; R651-F653 PolarHBondContact O-N 3.42Å; R651-G655 WeakPolarHBondContact O-CA 3.44Å; R651-G655 PolarHBondContact O-N 2.9Å; R651-R656 WeakPolarHBondContact CA-O 3.5Å; R651-R656 WeakPolarHBondContact CB-O 3.39Å
652	R	88.4	Confident	86.5	Confident	139 Å²	139	43.2 Å²	43.2	53%	0.525	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-27.6	175.2	-71.1	-177	-173.3	-161.1	4.8	112.5	R632 E648 T649 F650	R632-R652 PolarHBondContact NH2-O 3.39Å; E648-R652 WeakPolarHBondContact O-CG 3.42Å; E648-R652 PolarHBondContact O-N 3.3Å; E648-R652 IonicContact OE1-CZ 3.69Å; E648-R652 IonicContact OE1-NE 3.4Å; E648-R652 PolarHBondContact OE1-NE 2.74Å; E648-R652 IonicContact OE1-NH2 3.52Å; E648-R652 PolarHBondContact OE1-NH2 3.38Å; T649-R652 PolarHBondContact O-N 3.22Å; F650-R652 PolarHBondContact O-N 3.46Å
653	F	89.8	Confident	87.3	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-83	-49.7	179.4	-163.1	-84.3	0	0	0	112.7	L603 M607 R632 F633 C636 Y637 T649 F650 R651	L603-F653 HydrophobicContact CD2-CB 4.24Å; L603-F653 HydrophobicContact CD2-CD1 3.48Å; L603-F653 VanDerWaalsContact CD2-CD1 3.48Å; L603-F653 HydrophobicContact CD2-CE1 4.08Å; L603-F653 HydrophobicContact CD2-CG 3.95Å; M607-F653 HydrophobicContact CG-CE1 3.45Å; M607-F653 VanDerWaalsContact CG-CE1 3.45Å; M607-F653 HydrophobicContact CG-CZ 3.41Å; M607-F653 VanDerWaalsContact CG-CZ 3.41Å; M607-F653 HydrophobicContact SD-CE1 4.13Å; M607-F653 HydrophobicContact SD-CZ 3.61Å; R632-F653 HydrophobicContact CB-CE2 4.1Å; R632-F653 HydrophobicContact CG-CD2 4.13Å; R632-F653 HydrophobicContact CG-CE2 3.75Å; R632-F653 PolarHBondContact NH1-O 3.09Å; R632-F653 PolarHBondContact NH2-O 2.81Å; F633-F653 HydrophobicContact CB-CE2 4.11Å; F633-F653 HydrophobicContact CB-CZ 4.36Å; F633-F653 HydrophobicContact CD2-CE2 4.46Å; C636-F653 HydrophobicContact CB-CD2 4Å; Y637-F653 HydrophobicContact CD2-CD2 4.4Å; Y637-F653 HydrophobicContact CE2-CB 4.21Å; Y637-F653 HydrophobicContact CE2-CD2 4.19Å; Y637-F653 HydrophobicContact CE2-CG 4.2Å; T649-F653 WeakPolarHBondContact O-CB 3.09Å; T649-F653 PolarHBondContact O-N 3.21Å; F650-F653 PolarHBondContact O-N 2.81Å; R651-F653 PolarHBondContact O-N 3.42Å
654	T	87.4	Confident	88	Confident	29 Å²	29	41.2 Å²	41.2	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-101.9	-16.3	-170.9	65.7	0	0	0	0	114.3	L603 A606 F650 R656	L603-T654 HydrophobicContact CD2-CG2 3.85Å; A606-T654 HydrophobicContact CB-CG2 3.95Å; F650-T654 HydrophobicContact CD2-CG2 4.09Å; F650-T654 HydrophobicContact CE1-CG2 4.1Å; F650-T654 VanDerWaalsContact CE1-OG1 3.24Å; F650-T654 WeakPolarHBondContact CE1-OG1 3.49Å; F650-T654 HydrophobicContact CE2-CG2 3.66Å; F650-T654 HydrophobicContact CG-CG2 4.49Å; F650-T654 HydrophobicContact CZ-CG2 3.65Å; F650-T654 PolarHBondContact O-N 2.81Å; F650-T654 PolarHBondContact O-OG1 2.87Å; T654-R656 PolarHBondContact O-N 2.9Å; T654-R656 PolarHBondContact OG1-N 2.8Å; T654-R656 VanDerWaalsContact OG1-N 3.11Å
655	G	85.8	Confident	88.4	Confident	65 Å²	65	39.6 Å²	39.6	67%	0.67	21%	0.213	S	C	*	.	S	Bend	trans	77.8	0.5	-168.6	0	0	0	0	0	114.2	R651	R651-G655 WeakPolarHBondContact O-CA 3.44Å; R651-G655 PolarHBondContact O-N 2.9Å
656	R	84.1	Confident	88.4	Confident	91 Å²	91	38.8 Å²	38.8	34%	0.343	21%	0.206	S	C	.	.			trans	-113.8	152.1	-176.1	-65.5	-177.6	-72.9	126.6	-8.7	112.1	D602 F650 R651 T654 L658	D602-R656 IonicContact OD1-CZ 2.99Å; D602-R656 IonicContact OD1-NH1 3.77Å; D602-R656 IonicContact OD1-NH2 2.62Å; D602-R656 PolarHBondContact OD1-NH2 2.81Å; D602-R656 IonicContact OD2-CZ 2.96Å; D602-R656 VanDerWaalsContact OD2-CZ 3.27Å; D602-R656 IonicContact OD2-NH1 3.33Å; D602-R656 PolarHBondContact OD2-NH1 2.84Å; D602-R656 IonicContact OD2-NH2 2.66Å; D602-R656 PolarHBondContact OD2-NH2 3.2Å; F650-R656 WeakPolarHBondContact CD1-O 3.49Å; F650-R656 HydrophobicContact CE1-CB 4.2Å; R651-R656 WeakPolarHBondContact CA-O 3.5Å; R651-R656 WeakPolarHBondContact CB-O 3.39Å; T654-R656 PolarHBondContact O-N 2.9Å; T654-R656 PolarHBondContact OG1-N 2.8Å; T654-R656 VanDerWaalsContact OG1-N 3.11Å; R656-L658 PolarHBondContact NH1-O 3.43Å
657	S	79.4	Confident	88.4	Confident	50 Å²	50	38.6 Å²	38.6	35%	0.35	21%	0.205	S	C	.	.	S	Bend	trans	-84.1	-27.7	-179.4	50.5	0	0	0	0	114.3
658	L	82.4	Confident	88.3	Confident	47 Å²	47	39 Å²	39	25%	0.246	20%	0.204	C	C	.	.	S	Bend	trans	-132.2	147.2	-177.6	-73	172	0	0	0	111.1	F650 R656 L776	F650-L658 WeakPolarHBondContact CE1-O 3.22Å; R656-L658 PolarHBondContact NH1-O 3.43Å; L658-L776 HydrophobicContact CD1-CD1 4.25Å
659	P	87.2	Confident	88.3	Confident	22 Å²	22	41.2 Å²	41.2	14%	0.143	21%	0.214	C	C	.	.			trans	-75.1	155.7	175.5	36	-38.9	0	0	0	111.5	W595 V598 V599 D602 F650	W595-P659 HydrophobicContact CZ2-CG 4.31Å; V598-P659 HydrophobicContact CG1-CB 4.07Å; V598-P659 HydrophobicContact CG1-CG 4.17Å; V599-P659 HydrophobicContact CB-CB 4.47Å; V599-P659 HydrophobicContact CG2-CB 3.9Å; V599-P659 HydrophobicContact CG2-CG 3.69Å; D602-P659 HydrophobicContact CB-CB 4.36Å; D602-P659 WeakPolarHBondContact OD2-CA 3.22Å; F650-P659 HydrophobicContact CE2-CB 4.23Å; F650-P659 HydrophobicContact CZ-CB 3.95Å
660	S	89	Confident	88	Confident	29 Å²	29	41.7 Å²	41.7	20%	0.203	22%	0.216	C	C	.	.			trans	-102.9	132.1	174.8	170.2	0	0	0	0	110.8	D602 N662 G663	D602-S660 PolarHBondContact OD2-N 3.28Å; S660-N662 PolarHBondContact O-N 3.27Å; S660-N662 WeakPolarHBondContact OG-CB 3.42Å; S660-N662 PolarHBondContact OG-N 3.43Å; S660-G663 PolarHBondContact O-N 3.45Å
661	V	91.8	Very high	87.1	Confident	23 Å²	23	44.9 Å²	44.9	14%	0.139	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.5	174.4	-62.7	0	0	0	0	112.7	M299 L303 V598 G663 M664 L665	M299-V661 HydrophobicContact CB-CG1 4.47Å; M299-V661 HydrophobicContact CG-CG1 3.89Å; L303-V661 HydrophobicContact CD2-CB 3.98Å; L303-V661 HydrophobicContact CD2-CG1 4.13Å; L303-V661 HydrophobicContact CG-CG1 4.27Å; V598-V661 HydrophobicContact CG1-CG1 4.27Å; V598-V661 HydrophobicContact CG2-CG1 4.33Å; V661-G663 PolarHBondContact O-N 3.41Å; V661-G663 VanDerWaalsContact O-N 3.14Å; V661-M664 PolarHBondContact O-N 3.17Å; V661-L665 HydrophobicContact CG2-CD1 4.2Å; V661-L665 WeakPolarHBondContact O-CG 3.46Å; V661-L665 PolarHBondContact O-N 3.16Å
662	N	88	Confident	85.5	Confident	73 Å²	73	43 Å²	43	39%	0.39	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-29.8	-179.2	-67.7	-23.4	0	0	0	112.5	S660 M664 L665 N666	S660-N662 PolarHBondContact O-N 3.27Å; S660-N662 WeakPolarHBondContact OG-CB 3.42Å; S660-N662 PolarHBondContact OG-N 3.43Å; N662-M664 VanDerWaalsContact C-N 3.34Å; N662-M664 PolarHBondContact O-N 2.98Å; N662-L665 PolarHBondContact O-N 3.15Å; N662-N666 WeakPolarHBondContact O-CB 3.3Å; N662-N666 PolarHBondContact O-N 3Å; N662-N666 PolarHBondContact O-ND2 3.38Å
663	G	88.6	Confident	83.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-49.8	173.3	0	0	0	0	0	111.5	S660 V661 M667	S660-G663 PolarHBondContact O-N 3.45Å; V661-G663 PolarHBondContact O-N 3.41Å; V661-G663 VanDerWaalsContact O-N 3.14Å; G663-M667 WeakPolarHBondContact O-CB 3.1Å; G663-M667 WeakPolarHBondContact O-CG 3.25Å; G663-M667 PolarHBondContact O-N 3.2Å
664	M	93.1	Very high	80.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.7	-42.7	179.4	-166.8	179	81.6	0	0	111.7	L303 L531 E597 V598 C601 V661 N662 N666 M667 R668	L303-M664 HydrophobicContact CD1-CE 3.65Å; L303-M664 HydrophobicContact CD2-CE 3.18Å; L303-M664 HydrophobicContact CG-CE 4.01Å; L531-M664 HydrophobicContact CD1-CE 4.19Å; E597-M664 HydrophobicContact CB-SD 4.03Å; E597-M664 HydrophobicContact CG-CG 4.25Å; E597-M664 HydrophobicContact CG-SD 3.83Å; V598-M664 HydrophobicContact CG2-CB 4.23Å; V598-M664 HydrophobicContact CG2-CE 4.15Å; V598-M664 HydrophobicContact CG2-SD 3.82Å; C601-M664 HydrophobicContact CB-CB 3.99Å; V661-M664 PolarHBondContact O-N 3.17Å; N662-M664 VanDerWaalsContact C-N 3.34Å; N662-M664 PolarHBondContact O-N 2.98Å; M664-N666 VanDerWaalsContact C-N 3.31Å; M664-N666 PolarHBondContact O-N 3.35Å; M664-M667 PolarHBondContact O-N 3.35Å; M664-R668 HydrophobicContact CG-CG 4.36Å; M664-R668 WeakPolarHBondContact O-CB 3.45Å; M664-R668 WeakPolarHBondContact O-CG 3.39Å; M664-R668 PolarHBondContact O-N 2.89Å
665	L	91.6	Very high	78.1	Confident	5 Å²	5	54 Å²	54	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-39.8	178.6	-61.8	179.3	0	0	0	112.1	L303 A306 V661 N662 F669 L670 L671	L303-L665 HydrophobicContact CD2-CD2 3.93Å; L303-L665 HydrophobicContact CD2-CG 4.4Å; A306-L665 HydrophobicContact CB-CD1 3.66Å; A306-L665 HydrophobicContact CB-CD2 3.64Å; A306-L665 HydrophobicContact CB-CG 4.3Å; V661-L665 HydrophobicContact CG2-CD1 4.2Å; V661-L665 WeakPolarHBondContact O-CG 3.46Å; V661-L665 PolarHBondContact O-N 3.16Å; N662-L665 PolarHBondContact O-N 3.15Å; L665-F669 PolarHBondContact O-N 2.67Å; L665-L670 HydrophobicContact CB-CB 4.42Å; L665-L670 HydrophobicContact CD2-CB 4.1Å; L665-L670 HydrophobicContact CD2-CD1 3.87Å; L665-L670 PolarHBondContact O-N 2.59Å; L665-L671 HydrophobicContact CB-CD2 3.88Å; L665-L671 HydrophobicContact CB-CG 3.92Å; L665-L671 HydrophobicContact CD1-CD2 3.84Å; L665-L671 HydrophobicContact CG-CD2 4.5Å
666	N	87.8	Confident	75.4	Confident	62 Å²	62	57.3 Å²	57.3	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-49	173.1	-77.4	-36.9	0	0	0	111.9	N662 M664 R668 F669 L671	N662-N666 WeakPolarHBondContact O-CB 3.3Å; N662-N666 PolarHBondContact O-N 3Å; N662-N666 PolarHBondContact O-ND2 3.38Å; M664-N666 VanDerWaalsContact C-N 3.31Å; M664-N666 PolarHBondContact O-N 3.35Å; N666-R668 PolarHBondContact O-N 2.82Å; N666-F669 PolarHBondContact O-N 2.91Å; N666-F669 VanDerWaalsContact O-N 3.09Å; N666-L671 WeakPolarHBondContact OD1-CD1 3.38Å
667	M	88.9	Confident	72.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-26.6	-178.6	-74.5	-66.6	-159.3	0	0	113.6	Q494 R520 C601 L604 V610 G663 M664	Q494-M667 PolarHBondContact NE2-SD 3.28Å; R520-M667 PolarHBondContact NH2-O 3.37Å; R520-M667 PolarHBondContact NH2-SD 3.27Å; C601-M667 HydrophobicContact CB-CB 4.49Å; C601-M667 HydrophobicContact CB-CG 4.05Å; L604-M667 HydrophobicContact CB-CE 3.39Å; L604-M667 HydrophobicContact CD1-CE 3.74Å; L604-M667 HydrophobicContact CG-CE 4.17Å; V610-M667 HydrophobicContact CB-CE 4.25Å; V610-M667 HydrophobicContact CG1-CE 4.12Å; V610-M667 HydrophobicContact CG1-SD 3.88Å; V610-M667 HydrophobicContact CG2-CE 3.41Å; V610-M667 VanDerWaalsContact CG2-CE 3.41Å; V610-M667 HydrophobicContact CG2-SD 4.28Å; G663-M667 WeakPolarHBondContact O-CB 3.1Å; G663-M667 WeakPolarHBondContact O-CG 3.25Å; G663-M667 PolarHBondContact O-N 3.2Å; M664-M667 PolarHBondContact O-N 3.35Å
668	R	89.4	Confident	70.3	Confident	23 Å²	23	68.2 Å²	68.2	9%	0.087	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4.5	177.4	-62.7	-158.9	168.7	-112	14.8	114.2	Q524 E597 M664 N666 L670	Q524-R668 VanDerWaalsContact OE1-CG 3.28Å; E597-R668 IonicContact OE1-CZ 3.35Å; E597-R668 IonicContact OE1-NE 3.23Å; E597-R668 PolarHBondContact OE1-NE 3.37Å; E597-R668 IonicContact OE1-NH2 2.82Å; E597-R668 PolarHBondContact OE1-NH2 2.84Å; E597-R668 IonicContact OE2-CZ 2.67Å; E597-R668 IonicContact OE2-NH2 3.78Å; E597-R668 PolarHBondContact OE2-NH2 2.92Å; M664-R668 HydrophobicContact CG-CG 4.36Å; M664-R668 WeakPolarHBondContact O-CB 3.45Å; M664-R668 WeakPolarHBondContact O-CG 3.39Å; M664-R668 PolarHBondContact O-N 2.89Å; N666-R668 PolarHBondContact O-N 2.82Å; R668-L670 VanDerWaalsContact C-N 3.28Å; R668-L670 HydrophobicContact CB-CD1 3.76Å; R668-L670 HydrophobicContact CB-CG 3.88Å; R668-L670 PolarHBondContact O-N 3.08Å
669	F	87.4	Confident	67.6	Low	81 Å²	81	68.6 Å²	68.6	36%	0.355	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	36.5	179.9	-47.5	-80.7	0	0	0	113.8	L517 R520 K521 Q524 L665 N666	L517-F669 HydrophobicContact CD1-CZ 4.12Å; R520-F669 HydrophobicContact CG-CE2 4.31Å; K521-F669 HydrophobicContact CB-CE2 4.36Å; K521-F669 HydrophobicContact CG-CD1 4.5Å; K521-F669 HydrophobicContact CG-CD2 3.92Å; K521-F669 HydrophobicContact CG-CE1 4.17Å; K521-F669 HydrophobicContact CG-CE2 3.54Å; K521-F669 HydrophobicContact CG-CG 4.38Å; K521-F669 HydrophobicContact CG-CZ 3.68Å; Q524-F669 HydrophobicContact CB-CD2 4.31Å; Q524-F669 HydrophobicContact CG-CD2 4.38Å; Q524-F669 HydrophobicContact CG-CE2 4.36Å; L665-F669 PolarHBondContact O-N 2.67Å; N666-F669 PolarHBondContact O-N 2.91Å; N666-F669 VanDerWaalsContact O-N 3.09Å
670	L	84.3	Confident	65	Low	15 Å²	15	71 Å²	71	8%	0.079	37%	0.371	C	S	.	.			trans	-95.1	-22.1	-175.5	-66.2	171.1	0	0	0	113.6	V307 K310 L528 L531 L665 R668	V307-L670 HydrophobicContact CG1-CD1 3.76Å; K310-L670 HydrophobicContact CB-CD2 4.45Å; K310-L670 WeakPolarHBondContact CE-O 3.41Å; K310-L670 HydrophobicContact CG-CD2 4.35Å; L528-L670 HydrophobicContact CD1-CD2 3.92Å; L531-L670 HydrophobicContact CD2-CD1 3.84Å; L665-L670 HydrophobicContact CB-CB 4.42Å; L665-L670 HydrophobicContact CD2-CB 4.1Å; L665-L670 HydrophobicContact CD2-CD1 3.87Å; L665-L670 PolarHBondContact O-N 2.59Å; R668-L670 VanDerWaalsContact C-N 3.28Å; R668-L670 HydrophobicContact CB-CD1 3.76Å; R668-L670 HydrophobicContact CB-CG 3.88Å; R668-L670 PolarHBondContact O-N 3.08Å
671	L	75.4	Confident	62.4	Low	67 Å²	67	75.4 Å²	75.4	35%	0.351	40%	0.398	S	S	.	.	S	Bend	trans	-68.6	136.7	168.8	-60.6	-171.7	0	0	0	109.4	L665 N666 N673	L665-L671 HydrophobicContact CB-CD2 3.88Å; L665-L671 HydrophobicContact CB-CG 3.92Å; L665-L671 HydrophobicContact CD1-CD2 3.84Å; L665-L671 HydrophobicContact CG-CD2 4.5Å; N666-L671 WeakPolarHBondContact OD1-CD1 3.38Å; L671-N673 PolarHBondContact O-N 3.1Å
672	S	55.4	Low	59.9	Low	72 Å²	72	77.9 Å²	77.9	50%	0.503	41%	0.411	S	S	.	.			trans	-63.4	130.2	173.3	45.1	0	0	0	0	109.1	V674	S672-V674 PolarHBondContact O-N 2.63Å
673	N	44.9	Very low	57.9	Low	116 Å²	116	79 Å²	79	62%	0.62	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-68.5	21.1	169.9	-78.9	-6.2	0	0	0	112.8	L671 E675 M676 E677	L671-N673 PolarHBondContact O-N 3.1Å; N673-E675 PolarHBondContact O-N 2.9Å; N673-M676 HydrophobicContact CB-CB 4.13Å; N673-M676 PolarHBondContact O-N 2.91Å; N673-E677 PolarHBondContact O-N 2.86Å
674	V	36.1	Very low	56.3	Low	123 Å²	123	83.5 Å²	83.5	75%	0.745	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-58	-7.7	170.4	172.8	0	0	0	0	111	S672	S672-V674 PolarHBondContact O-N 2.63Å
675	E	30.1	Very low	54.7	Low	169 Å²	169	86.5 Å²	86.5	79%	0.79	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-121.5	15	169.6	-63.9	-174.5	162.6	0	0	115.5	N673 S679	N673-E675 PolarHBondContact O-N 2.9Å; E675-S679 PolarHBondContact O-OG 3.39Å
676	M	29.4	Very low	53.3	Low	133 Å²	133	88.6 Å²	88.6	66%	0.655	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-0.9	173.5	-71.9	-93.9	-67.3	0	0	113.4	N673 K678	N673-M676 HydrophobicContact CB-CB 4.13Å; N673-M676 PolarHBondContact O-N 2.91Å; M676-K678 VanDerWaalsContact C-N 3.3Å; M676-K678 PolarHBondContact O-N 2.86Å
677	E	27.1	Very low	52.4	Low	176 Å²	176	88.3 Å²	88.3	82%	0.822	47%	0.473	S	S	*	.	S	Bend	trans	-65.3	94.1	160.8	-88.9	-167.4	167.3	0	0	108.9	N673 S679	N673-E677 PolarHBondContact O-N 2.86Å; E677-S679 PolarHBondContact O-N 3.25Å
678	K	28.1	Very low	51.4	Low	195 Å²	195	89.7 Å²	89.7	85%	0.848	48%	0.48	S	S	*	.	S	Bend	trans	35.8	38.3	159.8	-69	-177.7	176.8	177.8	0	114.6	M676 T680	M676-K678 VanDerWaalsContact C-N 3.3Å; M676-K678 PolarHBondContact O-N 2.86Å; K678-T680 PolarHBondContact O-N 2.64Å
679	S	26.4	Very low	50.6	Low	55 Å²	55	89.4 Å²	89.4	39%	0.385	48%	0.48	S	S	.	.			trans	-59.4	106.2	136.7	53.3	0	0	0	0	100.9	E675 E677 D683	E675-S679 PolarHBondContact O-OG 3.39Å; E677-S679 PolarHBondContact O-N 3.25Å; S679-D683 VanDerWaalsContact CA-OD2 3.22Å; S679-D683 WeakPolarHBondContact CA-OD2 3.4Å
680	T	32.4	Very low	50.1	Low	73 Å²	73	90.2 Å²	90.2	45%	0.448	49%	0.485	S	S	.	.			trans	-45	142.6	149.4	49.9	0	0	0	0	105	K678 D682 D683	K678-T680 PolarHBondContact O-N 2.64Å; T680-D682 CarbonylContact O-C 3.47Å; T680-D682 PolarHBondContact O-N 2.9Å; T680-D683 PolarHBondContact N-OD2 3.11Å; T680-D683 PolarHBondContact O-N 3.44Å; T680-D683 PolarHBondContact OG1-OD2 3.3Å
681	P	34.6	Very low	49.7	Very low	120 Å²	120	92.7 Å²	92.7	78%	0.779	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-9.2	176.4	-27.4	33.7	0	0	0	113.9
682	D	39.8	Very low	49.9	Very low	76 Å²	76	92.6 Å²	92.6	41%	0.406	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.5	174.3	-60.8	-5.3	0	0	0	117.3	T680 R713	T680-D682 CarbonylContact O-C 3.47Å; T680-D682 PolarHBondContact O-N 2.9Å; D682-R713 VanDerWaalsContact CA-NH2 3.35Å; D682-R713 IonicContact OD1-CZ 3.14Å; D682-R713 IonicContact OD1-NE 3.68Å; D682-R713 IonicContact OD1-NH1 3.73Å; D682-R713 PolarHBondContact OD1-NH1 3.04Å; D682-R713 VanDerWaalsContact OD1-NH1 3.14Å; D682-R713 IonicContact OD1-NH2 3.61Å; D682-R713 PolarHBondContact OD1-NH2 3.46Å; D682-R713 VanDerWaalsContact OD1-NH2 3.15Å; D682-R713 IonicContact OD2-CZ 2.63Å; D682-R713 IonicContact OD2-NH1 3.85Å; D682-R713 PolarHBondContact OD2-NH1 3.06Å; D682-R713 IonicContact OD2-NH2 3.35Å
683	D	45.1	Very low	51.2	Low	97 Å²	97	95.1 Å²	95.1	52%	0.519	50%	0.499	S	S	.	.			trans	-91.1	-17.2	-173.8	-71.5	-56	0	0	0	114.9	S679 T680 V685	S679-D683 VanDerWaalsContact CA-OD2 3.22Å; S679-D683 WeakPolarHBondContact CA-OD2 3.4Å; T680-D683 PolarHBondContact N-OD2 3.11Å; T680-D683 PolarHBondContact O-N 3.44Å; T680-D683 PolarHBondContact OG1-OD2 3.3Å; D683-V685 PolarHBondContact O-N 2.83Å
684	N	54.8	Low	52.9	Low	94 Å²	94	91.7 Å²	91.7	50%	0.503	48%	0.482	S	S	.	.			trans	-77.9	83.8	164.2	-171.1	-9.7	0	0	0	108.1	L686 S687	N684-L686 PolarHBondContact O-N 3.35Å; N684-L686 WeakPolarHBondContact OD1-CB 3.33Å; N684-L686 PolarHBondContact OD1-N 3.36Å; N684-L686 VanDerWaalsContact OD1-N 3.16Å; N684-S687 WeakPolarHBondContact O-CB 3.36Å; N684-S687 PolarHBondContact O-N 3.31Å; N684-S687 PolarHBondContact O-OG 3.41Å
685	V	59.4	Low	55.1	Low	62 Å²	62	86.4 Å²	86.4	38%	0.376	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-50.4	-31.2	179.3	179.2	0	0	0	0	111.5	D683 S687 D688 F689 T809	D683-V685 PolarHBondContact O-N 2.83Å; V685-S687 VanDerWaalsContact C-N 3.32Å; V685-S687 PolarHBondContact O-N 3.24Å; V685-D688 PolarHBondContact O-N 2.67Å; V685-F689 HydrophobicContact CG1-CE2 3.86Å; V685-F689 WeakPolarHBondContact O-CD2 3.44Å; V685-F689 WeakPolarHBondContact O-CE2 3.49Å; V685-T809 HydrophobicContact CG1-CG2 3.72Å
686	L	63.5	Low	57.5	Low	49 Å²	49	80.4 Å²	80.4	26%	0.257	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-69.3	-27.4	177.6	-59.7	176	0	0	0	113.3	N684 D688 F689 V728 L730 V807	N684-L686 PolarHBondContact O-N 3.35Å; N684-L686 WeakPolarHBondContact OD1-CB 3.33Å; N684-L686 PolarHBondContact OD1-N 3.36Å; N684-L686 VanDerWaalsContact OD1-N 3.16Å; L686-D688 PolarHBondContact O-N 2.82Å; L686-F689 PolarHBondContact O-N 3.01Å; L686-F689 VanDerWaalsContact O-N 3.09Å; L686-V728 HydrophobicContact CD2-CG1 3.43Å; L686-V728 VanDerWaalsContact CD2-CG1 3.43Å; L686-L730 HydrophobicContact CD1-CD2 4.3Å; L686-L730 HydrophobicContact CD2-CD2 4.17Å; L686-V807 HydrophobicContact CD2-CG1 3.86Å
687	S	67.4	Low	59.9	Low	56 Å²	56	76.5 Å²	76.5	39%	0.392	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-68.5	-25.2	178	71	0	0	0	0	112.7	N684 V685 F689 R711	N684-S687 WeakPolarHBondContact O-CB 3.36Å; N684-S687 PolarHBondContact O-N 3.31Å; N684-S687 PolarHBondContact O-OG 3.41Å; V685-S687 VanDerWaalsContact C-N 3.32Å; V685-S687 PolarHBondContact O-N 3.24Å; S687-F689 PolarHBondContact O-N 3.14Å; S687-R711 WeakPolarHBondContact O-CD 3.39Å; S687-R711 PolarHBondContact O-NE 3.44Å
688	D	69.4	Low	62	Low	31 Å²	31	69.1 Å²	69.1	17%	0.166	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-71	-8.6	172.3	-69.6	-36.6	0	0	0	112.5	V685 L686 K710 R711 R713	V685-D688 PolarHBondContact O-N 2.67Å; L686-D688 PolarHBondContact O-N 2.82Å; D688-K710 CarbonylContact O-C 3.58Å; D688-K710 WeakPolarHBondContact O-CA 3.43Å; D688-R711 PolarHBondContact O-N 3.29Å; D688-R713 IonicContact OD1-CZ 2.64Å; D688-R713 IonicContact OD1-NE 3.86Å; D688-R713 PolarHBondContact OD1-NE 2.9Å; D688-R713 IonicContact OD1-NH2 3.54Å; D688-R713 PolarHBondContact OD1-NH2 3.44Å; D688-R713 IonicContact OD2-CZ 2.77Å; D688-R713 IonicContact OD2-NH2 3.05Å; D688-R713 PolarHBondContact OD2-NH2 2.91Å
689	F	71.2	Confident	63.8	Low	18 Å²	18	65.5 Å²	65.5	8%	0.079	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135	-177	-63.4	-74.8	0	0	0	112.5	V685 L686 S687 A708 R709 K710 A726 V728 T809 Y811	V685-F689 HydrophobicContact CG1-CE2 3.86Å; V685-F689 WeakPolarHBondContact O-CD2 3.44Å; V685-F689 WeakPolarHBondContact O-CE2 3.49Å; L686-F689 PolarHBondContact O-N 3.01Å; L686-F689 VanDerWaalsContact O-N 3.09Å; S687-F689 PolarHBondContact O-N 3.14Å; F689-A708 HydrophobicContact CB-CB 3.8Å; F689-A708 HydrophobicContact CD1-CB 4.32Å; F689-A708 HydrophobicContact CG-CB 4.35Å; F689-R709 CarbonylContact C-O 3.4Å; F689-R709 WeakPolarHBondContact CA-O 3.5Å; F689-K710 HydrophobicContact CD1-CB 4.1Å; F689-K710 HydrophobicContact CD1-CG 4.45Å; F689-K710 HydrophobicContact CE1-CB 3.92Å; F689-K710 HydrophobicContact CE1-CG 4.09Å; F689-A726 HydrophobicContact CD1-CB 3.54Å; F689-A726 HydrophobicContact CE1-CB 3.35Å; F689-A726 HydrophobicContact CZ-CB 4.37Å; F689-V728 HydrophobicContact CB-CG2 4.47Å; F689-V728 HydrophobicContact CD2-CG2 4.12Å; F689-V728 HydrophobicContact CG-CG2 4.12Å; F689-T809 HydrophobicContact CE2-CG2 3.85Å; F689-T809 HydrophobicContact CZ-CG2 4.35Å; F689-Y811 HydrophobicContact CE1-CD2 4.39Å; F689-Y811 HydrophobicContact CE1-CG 4.48Å
690	E	78.2	Confident	65.7	Low	98 Å²	98	68.9 Å²	68.9	46%	0.458	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.6	164	179.8	-178.3	-172.5	0	0	108.8	L692 A708 R709 R711	E690-L692 PolarHBondContact O-N 2.84Å; E690-A708 CarbonylContact O-C 3.58Å; E690-A708 WeakPolarHBondContact O-CA 3.36Å; E690-A708 VanDerWaalsContact O-CB 3.29Å; E690-A708 WeakPolarHBondContact O-CB 3.48Å; E690-R709 PolarHBondContact N-O 3.42Å; E690-R709 PolarHBondContact O-N 2.72Å; E690-R711 HydrophobicContact CB-CG 4.5Å
691	I	75.5	Confident	67.3	Low	66 Å²	66	68.4 Å²	68.4	34%	0.338	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.2	179.4	-60.8	177.2	0	0	0	109.4	V706 A708 C794	I691-V706 HydrophobicContact CD1-CG2 4.18Å; I691-V706 HydrophobicContact CG1-CG2 4.15Å; I691-V706 HydrophobicContact CG2-CB 3.97Å; I691-V706 HydrophobicContact CG2-CG1 4.37Å; I691-V706 HydrophobicContact CG2-CG2 4.12Å; I691-A708 HydrophobicContact CG1-CB 4.49Å; I691-C794 HydrophobicContact CD1-CB 4.29Å; I691-C794 WeakPolarHBondContact CD1-SG 3.31Å
692	L	79.5	Confident	69.2	Low	65 Å²	65	68.6 Å²	68.6	34%	0.34	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-45.5	179	-61.3	179	0	0	0	111.4	E690 Q707 R709	E690-L692 PolarHBondContact O-N 2.84Å; L692-Q707 HydrophobicContact CB-CG 4.47Å; L692-Q707 HydrophobicContact CD1-CG 4.29Å; L692-Q707 PolarHBondContact N-O 3.33Å; L692-R709 HydrophobicContact CD1-CB 4.1Å; L692-R709 HydrophobicContact CD2-CB 4.34Å; L692-R709 HydrophobicContact CG-CB 4.28Å
693	K	82.4	Confident	71.1	Confident	126 Å²	126	65.9 Å²	65.9	55%	0.548	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	148.2	-171.7	177.9	-180	171.5	-168	0	112	V706 Q707	K693-V706 CarbonylContact O-C 3.56Å; K693-V706 VanDerWaalsContact O-CA 3.31Å; K693-V706 WeakPolarHBondContact O-CA 3.29Å; K693-V706 WeakPolarHBondContact O-CB 3.2Å; K693-Q707 HydrophobicContact CB-CB 4.44Å; K693-Q707 PolarHBondContact N-O 3.31Å; K693-Q707 VanDerWaalsContact N-O 3.13Å; K693-Q707 PolarHBondContact O-N 3.07Å
694	V	80.7	Confident	72.8	Confident	44 Å²	44	61.3 Å²	61.3	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.5	165.4	-179.9	0	0	0	0	109.6	I704 V706 I793	V694-I704 HydrophobicContact CG1-CD1 3.75Å; V694-I704 HydrophobicContact CG1-CG1 3.99Å; V694-I704 HydrophobicContact CG2-CD1 4.13Å; V694-V706 HydrophobicContact CG2-CG1 4.17Å; V694-I793 HydrophobicContact CG2-CD1 4.28Å
695	L	82.2	Confident	74.2	Confident	11 Å²	11	56.9 Å²	56.9	6%	0.058	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-47	178.2	-66.3	176.3	0	0	0	111	A705 Q707 V727 I818 W821 S822 E823	L695-A705 WeakPolarHBondContact CA-O 3.12Å; L695-A705 HydrophobicContact CB-CB 4.46Å; L695-A705 PolarHBondContact N-O 3.26Å; L695-Q707 HydrophobicContact CD1-CB 3.87Å; L695-Q707 HydrophobicContact CD2-CB 3.85Å; L695-Q707 HydrophobicContact CG-CB 3.79Å; L695-V727 HydrophobicContact CD1-CG1 4.05Å; L695-V727 HydrophobicContact CD1-CG2 3.83Å; L695-I818 HydrophobicContact CD1-CG2 4.15Å; L695-I818 HydrophobicContact CD2-CG2 3.72Å; L695-W821 CarbonylContact C-O 3.58Å; L695-W821 VanDerWaalsContact CB-O 3.25Å; L695-W821 WeakPolarHBondContact CB-O 3.46Å; L695-W821 HydrophobicContact CD1-CB 4.2Å; L695-S822 WeakPolarHBondContact CD2-OG 3.31Å; L695-S822 CarbonylContact O-C 3.39Å; L695-S822 WeakPolarHBondContact O-CA 3.13Å; L695-E823 WeakPolarHBondContact O-CB 3.2Å; L695-E823 PolarHBondContact O-N 3.26Å
696	K	80.5	Confident	75.5	Confident	44 Å²	44	54 Å²	54	19%	0.191	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	140.7	-178.7	177.9	-177.8	-179.7	-161.5	0	111.6	D698 I704 A705 W821 E823	K696-D698 WeakPolarHBondContact CE-OD2 3.19Å; K696-D698 IonicContact NZ-OD2 3.83Å; K696-D698 PolarHBondContact NZ-OD2 3.25Å; K696-I704 CarbonylContact O-C 3.57Å; K696-I704 WeakPolarHBondContact O-CA 3.23Å; K696-I704 WeakPolarHBondContact O-CG1 3.43Å; K696-A705 HydrophobicContact CB-CB 4.38Å; K696-A705 PolarHBondContact N-O 3.08Å; K696-A705 VanDerWaalsContact N-O 3.09Å; K696-A705 PolarHBondContact O-N 3.11Å; K696-W821 WeakPolarHBondContact CB-O 3.38Å; K696-E823 HydrophobicContact CB-CB 4.18Å; K696-E823 HydrophobicContact CG-CB 4.24Å
697	S	80.4	Confident	76.6	Confident	50 Å²	50	53.2 Å²	53.2	35%	0.35	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.8	165.4	-168.3	0	0	0	0	108.9
698	D	70.1	Confident	77.4	Confident	22 Å²	22	50.6 Å²	50.6	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	103.2	-179	-159.6	-54	0	0	0	109.6	K696 D700 M701 K702 L703	K696-D698 WeakPolarHBondContact CE-OD2 3.19Å; K696-D698 IonicContact NZ-OD2 3.83Å; K696-D698 PolarHBondContact NZ-OD2 3.25Å; D698-D700 VanDerWaalsContact C-N 3.31Å; D698-D700 PolarHBondContact O-N 3.34Å; D698-D700 PolarHBondContact OD1-N 2.89Å; D698-M701 HydrophobicContact CB-CB 4.14Å; D698-M701 WeakPolarHBondContact OD1-CG 3.39Å; D698-M701 PolarHBondContact OD1-N 3.16Å; D698-K702 WeakPolarHBondContact O-CA 3.29Å; D698-K702 PolarHBondContact O-N 3.42Å; D698-L703 HydrophobicContact CB-CD2 4.27Å; D698-L703 HydrophobicContact CB-CG 3.95Å; D698-L703 PolarHBondContact N-O 3.33Å; D698-L703 PolarHBondContact O-N 3.29Å; D698-L703 VanDerWaalsContact O-N 3.08Å
699	D	65.9	Low	78	Confident	118 Å²	118	53.7 Å²	53.7	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-26.9	-177.8	-73.7	-17.7	0	0	0	112.4	K702	D699-K702 WeakPolarHBondContact O-CD 3.29Å; D699-K702 WeakPolarHBondContact O-CE 3.15Å; D699-K702 PolarHBondContact O-NZ 3.08Å
700	D	66.1	Low	78.3	Confident	127 Å²	127	55.4 Å²	55.4	68%	0.679	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-44.2	179.2	-69.5	-28.5	0	0	0	110.6	D698 K702 W964	D698-D700 VanDerWaalsContact C-N 3.31Å; D698-D700 PolarHBondContact O-N 3.34Å; D698-D700 PolarHBondContact OD1-N 2.89Å; D700-K702 VanDerWaalsContact C-N 3.29Å; D700-K702 PolarHBondContact O-N 2.92Å; D700-W964 HydrophobicContact CB-CH2 3.95Å; D700-W964 HydrophobicContact CB-CZ3 4.22Å
701	M	67.2	Low	77.9	Confident	63 Å²	63	57.1 Å²	57.1	31%	0.31	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.3	177.7	-59.2	-70.6	-101.6	0	0	113.4	D698 L703 W964 N965 I966	D698-M701 HydrophobicContact CB-CB 4.14Å; D698-M701 WeakPolarHBondContact OD1-CG 3.39Å; D698-M701 PolarHBondContact OD1-N 3.16Å; M701-L703 VanDerWaalsContact C-N 3.3Å; M701-L703 HydrophobicContact CB-CD2 3.66Å; M701-L703 HydrophobicContact CB-CG 4.37Å; M701-L703 HydrophobicContact CG-CD2 4.43Å; M701-L703 PolarHBondContact O-N 3.19Å; M701-W964 HydrophobicContact CG-CZ3 4.27Å; M701-W964 HydrophobicContact SD-CE3 3.97Å; M701-W964 HydrophobicContact SD-CH2 4.08Å; M701-W964 HydrophobicContact SD-CZ3 3.33Å; M701-W964 WeakPolarHBondContact SD-CZ3 3.42Å; M701-N965 HydrophobicContact CE-CB 4.47Å; M701-I966 HydrophobicContact CE-CB 4.37Å; M701-I966 HydrophobicContact CE-CD1 3.95Å; M701-I966 HydrophobicContact CE-CG1 3.86Å; M701-I966 HydrophobicContact CG-CD1 3.82Å; M701-I966 HydrophobicContact CG-CG1 4.16Å; M701-I966 HydrophobicContact SD-CD1 4.25Å; M701-I966 HydrophobicContact SD-CG1 4Å
702	K	73.7	Confident	77.2	Confident	123 Å²	123	58.9 Å²	58.9	54%	0.535	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	46.1	-176.7	-52.6	-65.2	173.3	-152.9	0	112.4	D698 D699 D700 K732	D698-K702 WeakPolarHBondContact O-CA 3.29Å; D698-K702 PolarHBondContact O-N 3.42Å; D699-K702 WeakPolarHBondContact O-CD 3.29Å; D699-K702 WeakPolarHBondContact O-CE 3.15Å; D699-K702 PolarHBondContact O-NZ 3.08Å; D700-K702 VanDerWaalsContact C-N 3.29Å; D700-K702 PolarHBondContact O-N 2.92Å; K702-K732 HydrophobicContact CB-CB 3.9Å; K702-K732 PolarHBondContact O-N 2.8Å
703	L	79.9	Confident	76.1	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.099	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.8	-179.4	87.7	94.7	0	0	0	113	D698 M701 V729 L730 E731 W821	D698-L703 HydrophobicContact CB-CD2 4.27Å; D698-L703 HydrophobicContact CB-CG 3.95Å; D698-L703 PolarHBondContact N-O 3.33Å; D698-L703 PolarHBondContact O-N 3.29Å; D698-L703 VanDerWaalsContact O-N 3.08Å; M701-L703 VanDerWaalsContact C-N 3.3Å; M701-L703 HydrophobicContact CB-CD2 3.66Å; M701-L703 HydrophobicContact CB-CG 4.37Å; M701-L703 HydrophobicContact CG-CD2 4.43Å; M701-L703 PolarHBondContact O-N 3.19Å; L703-V729 HydrophobicContact CD1-CG1 3.78Å; L703-L730 CarbonylContact C-O 3.47Å; L703-L730 WeakPolarHBondContact CA-O 3.37Å; L703-L730 WeakPolarHBondContact CB-O 3.4Å; L703-E731 HydrophobicContact CB-CB 4.48Å; L703-E731 HydrophobicContact CB-CG 3.83Å; L703-W821 HydrophobicContact CD1-CZ3 4.23Å
704	I	81.3	Confident	74.6	Confident	2 Å²	2	63 Å²	63	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135	167.5	-177	164.9	0	0	0	110.8	V694 K696 V706 V729 L730 I793 L797	V694-I704 HydrophobicContact CG1-CD1 3.75Å; V694-I704 HydrophobicContact CG1-CG1 3.99Å; V694-I704 HydrophobicContact CG2-CD1 4.13Å; K696-I704 CarbonylContact O-C 3.57Å; K696-I704 WeakPolarHBondContact O-CA 3.23Å; K696-I704 WeakPolarHBondContact O-CG1 3.43Å; I704-V706 HydrophobicContact CD1-CG1 4.31Å; I704-V706 HydrophobicContact CG1-CG1 4.11Å; I704-V729 CarbonylContact O-C 3.58Å; I704-V729 WeakPolarHBondContact O-CA 3.19Å; I704-L730 HydrophobicContact CG2-CB 3.72Å; I704-L730 HydrophobicContact CG2-CD1 3.88Å; I704-L730 HydrophobicContact CG2-CG 4.17Å; I704-L730 PolarHBondContact N-O 2.84Å; I704-L730 PolarHBondContact O-N 2.88Å; I704-I793 HydrophobicContact CD1-CB 3.92Å; I704-I793 HydrophobicContact CD1-CD1 4Å; I704-I793 HydrophobicContact CD1-CG2 3.3Å; I704-L797 HydrophobicContact CB-CD1 4.42Å; I704-L797 HydrophobicContact CG2-CD1 3.61Å
705	A	83.2	Confident	73.1	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.5	171.7	0	0	0	0	0	110.1	L695 K696 V728 V729 W821	L695-A705 WeakPolarHBondContact CA-O 3.12Å; L695-A705 HydrophobicContact CB-CB 4.46Å; L695-A705 PolarHBondContact N-O 3.26Å; K696-A705 HydrophobicContact CB-CB 4.38Å; K696-A705 PolarHBondContact N-O 3.08Å; K696-A705 VanDerWaalsContact N-O 3.09Å; K696-A705 PolarHBondContact O-N 3.11Å; A705-V728 CarbonylContact C-O 3.54Å; A705-V728 WeakPolarHBondContact CA-O 2.95Å; A705-V729 HydrophobicContact CB-CG2 4.06Å; A705-W821 HydrophobicContact CB-CB 4.13Å; A705-W821 HydrophobicContact CB-CD2 4.39Å; A705-W821 HydrophobicContact CB-CE3 3.79Å
706	V	86.2	Confident	71.4	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.006	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.3	179.5	-55	0	0	0	0	110.8	I691 K693 V694 I704 V727 V728	I691-V706 HydrophobicContact CD1-CG2 4.18Å; I691-V706 HydrophobicContact CG1-CG2 4.15Å; I691-V706 HydrophobicContact CG2-CB 3.97Å; I691-V706 HydrophobicContact CG2-CG1 4.37Å; I691-V706 HydrophobicContact CG2-CG2 4.12Å; K693-V706 CarbonylContact O-C 3.56Å; K693-V706 VanDerWaalsContact O-CA 3.31Å; K693-V706 WeakPolarHBondContact O-CA 3.29Å; K693-V706 WeakPolarHBondContact O-CB 3.2Å; V694-V706 HydrophobicContact CG2-CG1 4.17Å; I704-V706 HydrophobicContact CD1-CG1 4.31Å; I704-V706 HydrophobicContact CG1-CG1 4.11Å; V706-V727 CarbonylContact O-C 3.59Å; V706-V727 WeakPolarHBondContact O-CA 3.45Å; V706-V728 HydrophobicContact CG2-CB 3.76Å; V706-V728 HydrophobicContact CG2-CG1 4.46Å; V706-V728 PolarHBondContact N-O 3.22Å; V706-V728 PolarHBondContact O-N 3.41Å
707	Q	87.7	Confident	69.7	Low	34 Å²	34	81.2 Å²	81.2	16%	0.159	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132	165.2	-171.6	178.6	0.2	0	0	107.3	L692 K693 L695 D725 A726 I818	L692-Q707 HydrophobicContact CB-CG 4.47Å; L692-Q707 HydrophobicContact CD1-CG 4.29Å; L692-Q707 PolarHBondContact N-O 3.33Å; K693-Q707 HydrophobicContact CB-CB 4.44Å; K693-Q707 PolarHBondContact N-O 3.31Å; K693-Q707 VanDerWaalsContact N-O 3.13Å; K693-Q707 PolarHBondContact O-N 3.07Å; L695-Q707 HydrophobicContact CD1-CB 3.87Å; L695-Q707 HydrophobicContact CD2-CB 3.85Å; L695-Q707 HydrophobicContact CG-CB 3.79Å; Q707-D725 PolarHBondContact NE2-OD2 2.84Å; Q707-A726 CarbonylContact C-O 3.34Å; Q707-A726 WeakPolarHBondContact CA-O 3.48Å; Q707-I818 HydrophobicContact CG-CD1 4.36Å; Q707-I818 HydrophobicContact CG-CG1 4.44Å
708	A	84.7	Confident	68.2	Low	0 Å²	0	83.5 Å²	83.5	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	169.2	177.9	0	0	0	0	0	110.3	F689 E690 I691 D725 A726 V728	F689-A708 HydrophobicContact CB-CB 3.8Å; F689-A708 HydrophobicContact CD1-CB 4.32Å; F689-A708 HydrophobicContact CG-CB 4.35Å; E690-A708 CarbonylContact O-C 3.58Å; E690-A708 WeakPolarHBondContact O-CA 3.36Å; E690-A708 VanDerWaalsContact O-CB 3.29Å; E690-A708 WeakPolarHBondContact O-CB 3.48Å; I691-A708 HydrophobicContact CG1-CB 4.49Å; A708-D725 CarbonylContact O-C 3.55Å; A708-D725 WeakPolarHBondContact O-CA 3.42Å; A708-A726 HydrophobicContact CB-CB 4.46Å; A708-A726 PolarHBondContact N-O 3.13Å; A708-A726 PolarHBondContact O-N 2.87Å; A708-V728 HydrophobicContact CB-CG2 4.13Å
709	R	82	Confident	67.3	Low	97 Å²	97	90.6 Å²	90.6	37%	0.366	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.3	170.5	-177.5	167.7	-64.6	156.6	5.8	108.7	F689 E690 L692 R711 G722 S723 D725	F689-R709 CarbonylContact C-O 3.4Å; F689-R709 WeakPolarHBondContact CA-O 3.5Å; E690-R709 PolarHBondContact N-O 3.42Å; E690-R709 PolarHBondContact O-N 2.72Å; L692-R709 HydrophobicContact CD1-CB 4.1Å; L692-R709 HydrophobicContact CD2-CB 4.34Å; L692-R709 HydrophobicContact CG-CB 4.28Å; R709-R711 PolarHBondContact O-N 3.21Å; R709-G722 WeakPolarHBondContact CD-O 3.41Å; R709-G722 WeakPolarHBondContact CG-O 3.38Å; R709-S723 PolarHBondContact NE-O 3.15Å; R709-D725 IonicContact NE-OD1 2.72Å; R709-D725 IonicContact NH2-OD1 2.64Å
710	K	77	Confident	66.6	Low	53 Å²	53	87.2 Å²	87.2	23%	0.23	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.9	177	-167.8	-177.9	171.1	-159.3	0	109.5	D688 F689 D720 G722 Y811	D688-K710 CarbonylContact O-C 3.58Å; D688-K710 WeakPolarHBondContact O-CA 3.43Å; F689-K710 HydrophobicContact CD1-CB 4.1Å; F689-K710 HydrophobicContact CD1-CG 4.45Å; F689-K710 HydrophobicContact CE1-CB 3.92Å; F689-K710 HydrophobicContact CE1-CG 4.09Å; K710-D720 IonicContact NZ-OD2 2.85Å; K710-D720 PolarHBondContact NZ-OD2 3.1Å; K710-G722 VanDerWaalsContact O-O 3.08Å; K710-Y811 HydrophobicContact CB-CD2 4.06Å; K710-Y811 HydrophobicContact CB-CE2 3.63Å; K710-Y811 HydrophobicContact CD-CD1 4.02Å; K710-Y811 HydrophobicContact CD-CD2 4.19Å; K710-Y811 HydrophobicContact CD-CE1 3.57Å; K710-Y811 HydrophobicContact CD-CE2 3.74Å; K710-Y811 HydrophobicContact CD-CG 4.32Å; K710-Y811 VanDerWaalsContact CD-CZ 3.41Å; K710-Y811 HydrophobicContact CG-CE2 4.38Å
711	R	69.6	Low	66.1	Low	135 Å²	135	86.6 Å²	86.6	51%	0.509	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-71.6	138.9	177.5	-63.2	-178.9	-174.7	-109.9	-3	109.4	S687 D688 E690 R709 R713	S687-R711 WeakPolarHBondContact O-CD 3.39Å; S687-R711 PolarHBondContact O-NE 3.44Å; D688-R711 PolarHBondContact O-N 3.29Å; E690-R711 HydrophobicContact CB-CG 4.5Å; R709-R711 PolarHBondContact O-N 3.21Å; R711-R713 PolarHBondContact O-N 3.43Å
712	P	61.5	Low	65.6	Low	102 Å²	102	83.9 Å²	83.9	66%	0.662	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-64.5	125.5	173.5	23.3	-30	0	0	0	110.2
713	R	56.9	Low	65.2	Low	123 Å²	123	81.1 Å²	81.1	46%	0.464	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-85.9	144.6	166.8	-81.1	-171.5	-176.7	-177.2	3.5	109.5	D682 D688 R711 E715	D682-R713 VanDerWaalsContact CA-NH2 3.35Å; D682-R713 IonicContact OD1-CZ 3.14Å; D682-R713 IonicContact OD1-NE 3.68Å; D682-R713 IonicContact OD1-NH1 3.73Å; D682-R713 PolarHBondContact OD1-NH1 3.04Å; D682-R713 VanDerWaalsContact OD1-NH1 3.14Å; D682-R713 IonicContact OD1-NH2 3.61Å; D682-R713 PolarHBondContact OD1-NH2 3.46Å; D682-R713 VanDerWaalsContact OD1-NH2 3.15Å; D682-R713 IonicContact OD2-CZ 2.63Å; D682-R713 IonicContact OD2-NH1 3.85Å; D682-R713 PolarHBondContact OD2-NH1 3.06Å; D682-R713 IonicContact OD2-NH2 3.35Å; D688-R713 IonicContact OD1-CZ 2.64Å; D688-R713 IonicContact OD1-NE 3.86Å; D688-R713 PolarHBondContact OD1-NE 2.9Å; D688-R713 IonicContact OD1-NH2 3.54Å; D688-R713 PolarHBondContact OD1-NH2 3.44Å; D688-R713 IonicContact OD2-CZ 2.77Å; D688-R713 IonicContact OD2-NH2 3.05Å; D688-R713 PolarHBondContact OD2-NH2 2.91Å; R711-R713 PolarHBondContact O-N 3.43Å; R713-E715 PolarHBondContact O-N 3Å
714	N	50.5	Low	65.1	Low	154 Å²	154	84.4 Å²	84.4	82%	0.824	44%	0.437	S	S	*	.	S	Bend	trans	-38.7	111	178.4	-72.2	-20.8	0	0	0	113	L716	N714-L716 PolarHBondContact O-N 3.18Å
715	E	48.7	Very low	65.4	Low	193 Å²	193	86 Å²	86	90%	0.902	45%	0.446	S	S	*	.	S	Bend	trans	36.2	-5	157.1	-67.5	-177	174.9	0	0	122.6	R713	R713-E715 PolarHBondContact O-N 3Å
716	L	47.3	Very low	65.4	Low	161 Å²	161	86 Å²	86	84%	0.843	45%	0.446	S	S	*	.	S	Bend	trans	-87.3	-15.5	-173.7	-85.7	151	0	0	0	114.4	N714	N714-L716 PolarHBondContact O-N 3.18Å
717	N	43.9	Very low	65.2	Low	128 Å²	128	86 Å²	86	68%	0.684	45%	0.446	S	S	*	.			trans	-116	80.4	173	-77.1	-17.2	0	0	0	110.2	N719 D720	N717-N719 PolarHBondContact O-N 2.96Å; N717-D720 PolarHBondContact O-N 2.85Å
718	A	48.7	Very low	64.9	Low	99 Å²	99	84.4 Å²	84.4	82%	0.818	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-2.9	-178.5	0	0	0	0	0	115.6
719	N	51.6	Low	64.7	Low	170 Å²	170	84.4 Å²	84.4	91%	0.909	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-4	-179	-69.5	-8.3	0	0	0	114.6	N717	N717-N719 PolarHBondContact O-N 2.96Å
720	D	51.4	Low	64.4	Low	48 Å²	48	80.1 Å²	80.1	26%	0.257	42%	0.423	S	S	.	.			trans	-112.2	94.2	175.8	-175.3	4.6	0	0	0	108.4	K710 N717 G722 Y811	K710-D720 IonicContact NZ-OD2 2.85Å; K710-D720 PolarHBondContact NZ-OD2 3.1Å; N717-D720 PolarHBondContact O-N 2.85Å; D720-G722 PolarHBondContact O-N 2.97Å; D720-G722 VanDerWaalsContact O-N 3.1Å; D720-G722 PolarHBondContact OD1-N 2.88Å; D720-Y811 PolarHBondContact OD1-OH 3.25Å; D720-Y811 PolarHBondContact OD2-OH 3.08Å
721	D	55.9	Low	64.3	Low	113 Å²	113	80.1 Å²	80.1	60%	0.604	42%	0.424	S	S	*	.			trans	-71.9	2.5	-176.4	70.7	-6.6	0	0	0	113.6	S723	D721-S723 PolarHBondContact O-N 3.05Å; D721-S723 VanDerWaalsContact O-N 3.09Å; D721-S723 WeakPolarHBondContact OD1-CB 3.05Å; D721-S723 PolarHBondContact OD1-N 3.24Å; D721-S723 PolarHBondContact OD1-OG 2.84Å; D721-S723 WeakPolarHBondContact OD2-CB 3.07Å; D721-S723 PolarHBondContact OD2-OG 2.78Å
722	G	56.5	Low	64.3	Low	7 Å²	7	76.6 Å²	76.6	7%	0.072	41%	0.412	C	S	.	.	S	Bend	trans	63.7	10.7	-177.6	0	0	0	0	0	113.5	R709 K710 D720	R709-G722 WeakPolarHBondContact CD-O 3.41Å; R709-G722 WeakPolarHBondContact CG-O 3.38Å; K710-G722 VanDerWaalsContact O-O 3.08Å; D720-G722 PolarHBondContact O-N 2.97Å; D720-G722 VanDerWaalsContact O-N 3.1Å; D720-G722 PolarHBondContact OD1-N 2.88Å
723	S	64.5	Low	64.6	Low	64 Å²	64	76.6 Å²	76.6	45%	0.448	40%	0.402	S	S	.	.			trans	-83	-15.8	-179.4	75.6	0	0	0	0	112.8	R709 D721	R709-S723 PolarHBondContact NE-O 3.15Å; D721-S723 PolarHBondContact O-N 3.05Å; D721-S723 VanDerWaalsContact O-N 3.09Å; D721-S723 WeakPolarHBondContact OD1-CB 3.05Å; D721-S723 PolarHBondContact OD1-N 3.24Å; D721-S723 PolarHBondContact OD1-OG 2.84Å; D721-S723 WeakPolarHBondContact OD2-CB 3.07Å; D721-S723 PolarHBondContact OD2-OG 2.78Å
724	Q	78.8	Confident	65.1	Low	88 Å²	88	74.8 Å²	74.8	41%	0.411	41%	0.405	S	S	.	.			trans	-79.6	139	-172.7	-63.4	-173.4	-15.1	0	0	112.8	Y811 P812	Q724-Y811 HydrophobicContact CB-CE2 3.93Å; Q724-P812 HydrophobicContact CB-CB 4.12Å
725	D	86.4	Confident	65.8	Low	36 Å²	36	72.2 Å²	72.2	19%	0.193	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	159.8	177.4	-73.9	-7.4	0	0	0	111.6	Q707 A708 R709 A813 I818	Q707-D725 PolarHBondContact NE2-OD2 2.84Å; A708-D725 CarbonylContact O-C 3.55Å; A708-D725 WeakPolarHBondContact O-CA 3.42Å; R709-D725 IonicContact NE-OD1 2.72Å; R709-D725 IonicContact NH2-OD1 2.64Å; D725-A813 HydrophobicContact CB-CB 4.44Å; D725-A813 WeakPolarHBondContact O-CB 3.19Å; D725-A813 PolarHBondContact O-N 3.5Å; D725-I818 HydrophobicContact CB-CD1 3.91Å; D725-I818 WeakPolarHBondContact OD2-CD1 3.27Å
726	A	83	Confident	66.8	Low	0 Å²	0	66 Å²	66	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154	175.8	0	0	0	0	0	109.4	F689 Q707 A708 I810 Y811	F689-A726 HydrophobicContact CD1-CB 3.54Å; F689-A726 HydrophobicContact CE1-CB 3.35Å; F689-A726 HydrophobicContact CZ-CB 4.37Å; Q707-A726 CarbonylContact C-O 3.34Å; Q707-A726 WeakPolarHBondContact CA-O 3.48Å; A708-A726 HydrophobicContact CB-CB 4.46Å; A708-A726 PolarHBondContact N-O 3.13Å; A708-A726 PolarHBondContact O-N 2.87Å; A726-I810 CarbonylContact C-O 3.6Å; A726-I810 VanDerWaalsContact CA-O 3.28Å; A726-I810 WeakPolarHBondContact CA-O 3.36Å; A726-Y811 HydrophobicContact CB-CD2 4.01Å
727	V	83	Confident	67.8	Low	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.9	164.8	178	0	0	0	0	108.5	L695 V706 V729 T809 I810 A813 I818 W821	L695-V727 HydrophobicContact CD1-CG1 4.05Å; L695-V727 HydrophobicContact CD1-CG2 3.83Å; V706-V727 CarbonylContact O-C 3.59Å; V706-V727 WeakPolarHBondContact O-CA 3.45Å; V727-V729 HydrophobicContact CG1-CG2 4.11Å; V727-T809 CarbonylContact O-C 3.36Å; V727-T809 WeakPolarHBondContact O-CA 3.44Å; V727-I810 HydrophobicContact CB-CB 4.21Å; V727-I810 HydrophobicContact CB-CD1 4.42Å; V727-I810 PolarHBondContact N-O 2.95Å; V727-I810 PolarHBondContact O-N 3.49Å; V727-A813 HydrophobicContact CG2-CB 3.91Å; V727-I818 HydrophobicContact CG2-CG1 4Å; V727-W821 HydrophobicContact CG1-CB 3.8Å; V727-W821 HydrophobicContact CG1-CD2 4.41Å; V727-W821 HydrophobicContact CG1-CG 3.74Å
728	V	81.1	Confident	68.9	Low	2 Å²	2	67.5 Å²	67.5	1%	0.012	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.8	178.1	-179	0	0	0	0	108.7	L686 F689 A705 V706 A708 L730 V807 T809	L686-V728 HydrophobicContact CD2-CG1 3.43Å; L686-V728 VanDerWaalsContact CD2-CG1 3.43Å; F689-V728 HydrophobicContact CB-CG2 4.47Å; F689-V728 HydrophobicContact CD2-CG2 4.12Å; F689-V728 HydrophobicContact CG-CG2 4.12Å; A705-V728 CarbonylContact C-O 3.54Å; A705-V728 WeakPolarHBondContact CA-O 2.95Å; V706-V728 HydrophobicContact CG2-CB 3.76Å; V706-V728 HydrophobicContact CG2-CG1 4.46Å; V706-V728 PolarHBondContact N-O 3.22Å; V706-V728 PolarHBondContact O-N 3.41Å; A708-V728 HydrophobicContact CB-CG2 4.13Å; V728-L730 HydrophobicContact CG1-CD2 4.29Å; V728-V807 HydrophobicContact CG1-CG1 4Å; V728-T809 HydrophobicContact CG1-CG2 4.34Å; V728-T809 HydrophobicContact CG2-CG2 4.17Å
729	V	80.1	Confident	69.7	Low	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.6	-178.4	-172.1	0	0	0	0	109.1	L703 I704 A705 V727 E731 V807 T808 W821	L703-V729 HydrophobicContact CD1-CG1 3.78Å; I704-V729 CarbonylContact O-C 3.58Å; I704-V729 WeakPolarHBondContact O-CA 3.19Å; A705-V729 HydrophobicContact CB-CG2 4.06Å; V727-V729 HydrophobicContact CG1-CG2 4.11Å; V729-E731 HydrophobicContact CG1-CG 4.34Å; V729-V807 CarbonylContact O-C 3.51Å; V729-V807 WeakPolarHBondContact O-CA 3.45Å; V729-T808 PolarHBondContact N-O 3.42Å; V729-T808 PolarHBondContact O-N 2.95Å; V729-W821 HydrophobicContact CB-CH2 4.36Å; V729-W821 HydrophobicContact CB-CZ3 4.3Å; V729-W821 HydrophobicContact CG1-CE3 4.33Å; V729-W821 HydrophobicContact CG1-CH2 3.94Å; V729-W821 HydrophobicContact CG1-CZ3 3.66Å; V729-W821 HydrophobicContact CG2-CD2 3.83Å; V729-W821 HydrophobicContact CG2-CE3 3.69Å; V729-W821 HydrophobicContact CG2-CH2 3.73Å; V729-W821 HydrophobicContact CG2-CZ2 3.86Å; V729-W821 HydrophobicContact CG2-CZ3 3.64Å
730	L	76	Confident	70.4	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.037	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.6	179.8	-54.8	174.8	0	0	0	108.5	L686 L703 I704 V728 V805 V807	L686-L730 HydrophobicContact CD1-CD2 4.3Å; L686-L730 HydrophobicContact CD2-CD2 4.17Å; L703-L730 CarbonylContact C-O 3.47Å; L703-L730 WeakPolarHBondContact CA-O 3.37Å; L703-L730 WeakPolarHBondContact CB-O 3.4Å; I704-L730 HydrophobicContact CG2-CB 3.72Å; I704-L730 HydrophobicContact CG2-CD1 3.88Å; I704-L730 HydrophobicContact CG2-CG 4.17Å; I704-L730 PolarHBondContact N-O 2.84Å; I704-L730 PolarHBondContact O-N 2.88Å; V728-L730 HydrophobicContact CG1-CD2 4.29Å; L730-V805 HydrophobicContact CB-CG1 3.86Å; L730-V805 HydrophobicContact CD2-CG1 4.14Å; L730-V807 HydrophobicContact CD2-CB 4.24Å; L730-V807 HydrophobicContact CD2-CG1 3.95Å; L730-V807 HydrophobicContact CD2-CG2 3.64Å
731	E	74.1	Confident	71.2	Confident	53 Å²	53	60.2 Å²	60.2	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.8	179.4	-69.4	165.7	-155.6	0	0	109.7	L703 V729 V805 K806	L703-E731 HydrophobicContact CB-CB 4.48Å; L703-E731 HydrophobicContact CB-CG 3.83Å; V729-E731 HydrophobicContact CG1-CG 4.34Å; E731-V805 WeakPolarHBondContact O-CA 3.3Å; E731-K806 HydrophobicContact CB-CB 4.26Å; E731-K806 PolarHBondContact N-O 3.26Å; E731-K806 PolarHBondContact O-N 2.68Å; E731-K806 WeakPolarHBondContact OE2-CD 3.4Å; E731-K806 IonicContact OE2-NZ 3.58Å; E731-K806 PolarHBondContact OE2-NZ 3.05Å
732	K	71.4	Confident	71.7	Confident	61 Å²	61	57.2 Å²	57.2	27%	0.265	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.2	175.2	-174.7	-178.7	175.8	178.1	0	110.1	K702 A803	K702-K732 HydrophobicContact CB-CB 3.9Å; K702-K732 PolarHBondContact O-N 2.8Å; K732-A803 HydrophobicContact CG-CB 4.48Å
733	K	67.4	Low	72	Confident	102 Å²	102	60 Å²	60	44%	0.443	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-75.2	149.8	170.7	-70.6	-178.6	-176.4	179.1	0	111.9	A804	K733-A804 WeakPolarHBondContact CB-O 3.17Å; K733-A804 HydrophobicContact CD-CB 3.83Å; K733-A804 WeakPolarHBondContact CD-O 3.48Å; K733-A804 WeakPolarHBondContact CG-O 3.48Å; K733-A804 PolarHBondContact N-O 3.15Å
734	P	66.5	Low	72.1	Confident	84 Å²	84	60.7 Å²	60.7	55%	0.545	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-56.4	149.7	171.1	-22.2	32.6	0	0	0	111.7	T736	P734-T736 PolarHBondContact O-N 2.94Å
735	F	66.1	Low	71.6	Confident	101 Å²	101	60.9 Å²	60.9	44%	0.443	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-64.6	133.8	170.9	-65.8	-69.3	0	0	0	110.3	T739 V740 F801	F735-T739 WeakPolarHBondContact CA-OG1 3.49Å; F735-V740 HydrophobicContact CB-CG2 3.74Å; F735-V740 HydrophobicContact CG-CG2 4.31Å; F735-F801 AromaticContact CE1-CD1 3.88Å; F735-F801 HydrophobicContact CE1-CD1 3.88Å; F735-F801 HydrophobicContact CE1-CE1 4.27Å; F735-F801 AromaticContact CZ-CD1 4Å; F735-F801 HydrophobicContact CZ-CD1 4Å; F735-F801 AromaticContact CZ-CE1 3.93Å; F735-F801 HydrophobicContact CZ-CE1 3.93Å
736	T	68.6	Low	70.4	Confident	62 Å²	62	62.1 Å²	62.1	38%	0.38	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-93.6	160.6	163.8	72.1	0	0	0	0	109.9	P734 E738 T739 V740	P734-T736 PolarHBondContact O-N 2.94Å; T736-E738 WeakPolarHBondContact CB-OE2 3.43Å; T736-E738 PolarHBondContact O-N 2.87Å; T736-E738 PolarHBondContact OG1-OE2 2.74Å; T736-T739 PolarHBondContact N-OG1 2.59Å; T736-T739 PolarHBondContact O-N 3.45Å; T736-T739 PolarHBondContact O-OG1 3.3Å; T736-T739 PolarHBondContact OG1-N 3.12Å; T736-V740 WeakPolarHBondContact O-CG2 3.44Å; T736-V740 PolarHBondContact O-N 2.95Å
737	E	69	Low	69.4	Low	174 Å²	174	66.5 Å²	66.5	81%	0.813	38%	0.379	S	S	*	.	H	α-helix	trans	-53.8	-38.6	176.8	-168.2	172.5	-175.4	0	0	111.8	V740 A741	E737-V740 PolarHBondContact O-N 3.34Å; E737-A741 WeakPolarHBondContact O-CB 3.41Å; E737-A741 PolarHBondContact O-N 3.29Å
738	E	67.1	Low	68	Low	146 Å²	146	66.9 Å²	66.9	68%	0.682	38%	0.382	S	S	*	.	H	α-helix	trans	-65.2	-41.9	175.6	-50.3	107.2	171.9	0	0	112.1	T736 V740 A741 A742	T736-E738 WeakPolarHBondContact CB-OE2 3.43Å; T736-E738 PolarHBondContact O-N 2.87Å; T736-E738 PolarHBondContact OG1-OE2 2.74Å; E738-V740 VanDerWaalsContact C-N 3.33Å; E738-V740 PolarHBondContact O-N 3.42Å; E738-A741 PolarHBondContact O-N 2.88Å; E738-A742 VanDerWaalsContact O-CB 3.31Å; E738-A742 WeakPolarHBondContact O-CB 3.15Å; E738-A742 PolarHBondContact O-N 3.12Å
739	T	66.1	Low	66.9	Low	36 Å²	36	67.8 Å²	67.8	22%	0.221	39%	0.387	C	S	.	.	H	α-helix	trans	-68.3	-32.1	178.3	61.3	0	0	0	0	112.6	F735 T736 F743	F735-T739 WeakPolarHBondContact CA-OG1 3.49Å; T736-T739 PolarHBondContact N-OG1 2.59Å; T736-T739 PolarHBondContact O-N 3.45Å; T736-T739 PolarHBondContact O-OG1 3.3Å; T736-T739 PolarHBondContact OG1-N 3.12Å; T739-F743 VanDerWaalsContact O-CB 3.31Å; T739-F743 WeakPolarHBondContact O-CB 3.46Å; T739-F743 PolarHBondContact O-N 2.95Å
740	V	65.2	Low	65.8	Low	72 Å²	72	74 Å²	74	44%	0.436	41%	0.411	S	S	.	.	H	α-helix	trans	-71.7	-44	174.5	179	0	0	0	0	110.2	F735 T736 E737 E738 A742 F743 A744	F735-V740 HydrophobicContact CB-CG2 3.74Å; F735-V740 HydrophobicContact CG-CG2 4.31Å; T736-V740 WeakPolarHBondContact O-CG2 3.44Å; T736-V740 PolarHBondContact O-N 2.95Å; E737-V740 PolarHBondContact O-N 3.34Å; E738-V740 VanDerWaalsContact C-N 3.33Å; E738-V740 PolarHBondContact O-N 3.42Å; V740-A742 VanDerWaalsContact C-N 3.32Å; V740-A742 PolarHBondContact O-N 3.21Å; V740-F743 PolarHBondContact O-N 2.64Å; V740-A744 VanDerWaalsContact O-CB 3.3Å; V740-A744 WeakPolarHBondContact O-CB 3.35Å; V740-A744 PolarHBondContact O-N 3.02Å
741	A	69	Low	65.1	Low	57 Å²	57	78.1 Å²	78.1	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-43.3	175.6	0	0	0	0	0	111.1	E737 E738 A744 S745	E737-A741 WeakPolarHBondContact O-CB 3.41Å; E737-A741 PolarHBondContact O-N 3.29Å; E738-A741 PolarHBondContact O-N 2.88Å; A741-A744 PolarHBondContact O-N 2.84Å; A741-S745 VanDerWaalsContact O-CB 3.24Å; A741-S745 WeakPolarHBondContact O-CB 3.29Å; A741-S745 PolarHBondContact O-N 3.25Å; A741-S745 PolarHBondContact O-OG 3.03Å
742	A	65.1	Low	64.3	Low	49 Å²	49	79.1 Å²	79.1	41%	0.405	44%	0.442	S	S	.	.	H	α-helix	trans	-60.1	-50	173.2	0	0	0	0	0	111.3	E738 V740 A744 S745 D746	E738-A742 VanDerWaalsContact O-CB 3.31Å; E738-A742 WeakPolarHBondContact O-CB 3.15Å; E738-A742 PolarHBondContact O-N 3.12Å; V740-A742 VanDerWaalsContact C-N 3.32Å; V740-A742 PolarHBondContact O-N 3.21Å; A742-A744 PolarHBondContact O-N 3.16Å; A742-S745 WeakPolarHBondContact CA-OG 3.47Å; A742-S745 CarbonylContact O-C 3.55Å; A742-S745 PolarHBondContact O-N 3.33Å; A742-S745 PolarHBondContact O-OG 3.44Å; A742-S745 VanDerWaalsContact O-OG 3.13Å; A742-D746 VanDerWaalsContact O-CB 3.24Å; A742-D746 WeakPolarHBondContact O-CB 3.31Å; A742-D746 PolarHBondContact O-N 2.7Å
743	F	63.3	Low	63.9	Low	65 Å²	65	80.3 Å²	80.3	29%	0.285	45%	0.454	S	S	.	.	H	α-helix	trans	-59.5	-42.9	177.8	173.3	-96.3	0	0	0	113.4	T739 V740 S745 D746 T749 L751	T739-F743 VanDerWaalsContact O-CB 3.31Å; T739-F743 WeakPolarHBondContact O-CB 3.46Å; T739-F743 PolarHBondContact O-N 2.95Å; V740-F743 PolarHBondContact O-N 2.64Å; F743-S745 VanDerWaalsContact C-N 3.35Å; F743-D746 PolarHBondContact O-N 3.44Å; F743-T749 HydrophobicContact CD1-CG2 4.41Å; F743-T749 HydrophobicContact CD2-CG2 4.05Å; F743-T749 HydrophobicContact CE1-CG2 3.81Å; F743-T749 HydrophobicContact CE2-CG2 3.4Å; F743-T749 VanDerWaalsContact CE2-CG2 3.4Å; F743-T749 HydrophobicContact CZ-CG2 3.27Å; F743-T749 PolarHBondContact O-OG1 2.9Å; F743-L751 HydrophobicContact CE1-CD2 4.47Å; F743-L751 HydrophobicContact CZ-CD2 4.15Å
744	A	66.5	Low	63.4	Low	79 Å²	79	79.4 Å²	79.4	65%	0.653	46%	0.458	S	S	*	.	H	α-helix	trans	-73.4	-28.2	-179.3	0	0	0	0	0	112.7	V740 A741 A742	V740-A744 VanDerWaalsContact O-CB 3.3Å; V740-A744 WeakPolarHBondContact O-CB 3.35Å; V740-A744 PolarHBondContact O-N 3.02Å; A741-A744 PolarHBondContact O-N 2.84Å; A742-A744 PolarHBondContact O-N 3.16Å
745	S	68.2	Low	62.7	Low	93 Å²	93	79.8 Å²	79.8	65%	0.65	45%	0.453	S	S	*	.	H	α-helix	trans	-88.7	-14.9	175.3	59.2	0	0	0	0	113.2	A741 A742 F743 S747	A741-S745 VanDerWaalsContact O-CB 3.24Å; A741-S745 WeakPolarHBondContact O-CB 3.29Å; A741-S745 PolarHBondContact O-N 3.25Å; A741-S745 PolarHBondContact O-OG 3.03Å; A742-S745 WeakPolarHBondContact CA-OG 3.47Å; A742-S745 CarbonylContact O-C 3.55Å; A742-S745 PolarHBondContact O-N 3.33Å; A742-S745 PolarHBondContact O-OG 3.44Å; A742-S745 VanDerWaalsContact O-OG 3.13Å; F743-S745 VanDerWaalsContact C-N 3.35Å; S745-S747 PolarHBondContact O-N 3.16Å
746	D	60.5	Low	61.9	Low	62 Å²	62	81.3 Å²	81.3	33%	0.332	46%	0.461	S	S	.	.			trans	-72.6	110.5	177.1	-170	4.2	0	0	0	110.4	A742 F743 S748 T749 N767	A742-D746 VanDerWaalsContact O-CB 3.24Å; A742-D746 WeakPolarHBondContact O-CB 3.31Å; A742-D746 PolarHBondContact O-N 2.7Å; F743-D746 PolarHBondContact O-N 3.44Å; D746-S748 PolarHBondContact O-N 3.14Å; D746-S748 PolarHBondContact OD1-N 3.45Å; D746-S748 PolarHBondContact OD1-OG 3.34Å; D746-S748 PolarHBondContact OD2-OG 3.31Å; D746-S748 VanDerWaalsContact OD2-OG 3.12Å; D746-T749 WeakPolarHBondContact O-CB 3.48Å; D746-T749 PolarHBondContact O-N 2.82Å; D746-T749 VanDerWaalsContact O-N 3.12Å; D746-T749 PolarHBondContact O-OG1 3.35Å; D746-N767 PolarHBondContact OD2-ND2 3.26Å
747	S	62.8	Low	61.5	Low	92 Å²	92	81.2 Å²	81.2	64%	0.643	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.1	-175.1	62	0	0	0	0	113.4	S745 T749 R750	S745-S747 PolarHBondContact O-N 3.16Å; S747-T749 VanDerWaalsContact C-N 3.31Å; S747-R750 PolarHBondContact O-NH1 3.16Å
748	S	54.7	Low	61.1	Low	7 Å²	7	81 Å²	81	5%	0.049	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.9	172.6	68	0	0	0	0	112.6	D305 D746 R750 N767 A768	D305-S748 WeakPolarHBondContact OD2-CB 3.39Å; D746-S748 PolarHBondContact O-N 3.14Å; D746-S748 PolarHBondContact OD1-N 3.45Å; D746-S748 PolarHBondContact OD1-OG 3.34Å; D746-S748 PolarHBondContact OD2-OG 3.31Å; D746-S748 VanDerWaalsContact OD2-OG 3.12Å; S748-R750 PolarHBondContact O-N 3.07Å; S748-N767 VanDerWaalsContact CB-OD1 3.29Å; S748-N767 WeakPolarHBondContact CB-OD1 3.3Å; S748-N767 VanDerWaalsContact OG-CG 3.32Å; S748-N767 PolarHBondContact OG-ND2 2.97Å; S748-N767 PolarHBondContact OG-OD1 3.23Å; S748-A768 PolarHBondContact O-N 3.07Å
749	T	56.9	Low	60.2	Low	21 Å²	21	80.9 Å²	80.9	13%	0.129	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	112.5	170.3	-64.4	0	0	0	0	109	F743 D746 S747 L751	F743-T749 HydrophobicContact CD1-CG2 4.41Å; F743-T749 HydrophobicContact CD2-CG2 4.05Å; F743-T749 HydrophobicContact CE1-CG2 3.81Å; F743-T749 HydrophobicContact CE2-CG2 3.4Å; F743-T749 VanDerWaalsContact CE2-CG2 3.4Å; F743-T749 HydrophobicContact CZ-CG2 3.27Å; F743-T749 PolarHBondContact O-OG1 2.9Å; D746-T749 WeakPolarHBondContact O-CB 3.48Å; D746-T749 PolarHBondContact O-N 2.82Å; D746-T749 VanDerWaalsContact O-N 3.12Å; D746-T749 PolarHBondContact O-OG1 3.35Å; S747-T749 VanDerWaalsContact C-N 3.31Å; T749-L751 HydrophobicContact CG2-CD2 4.43Å; T749-L751 HydrophobicContact CG2-CG 4.42Å
750	R	57.1	Low	59.1	Low	132 Å²	132	86.3 Å²	86.3	50%	0.498	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.1	169.5	-70.1	-70.6	174.7	-80.4	-7	108.5	S747 S748 G765 T766 A768	S747-R750 PolarHBondContact O-NH1 3.16Å; S748-R750 PolarHBondContact O-N 3.07Å; R750-G765 CarbonylContact O-C 3.53Å; R750-G765 WeakPolarHBondContact O-CA 3.43Å; R750-T766 PolarHBondContact N-O 2.96Å; R750-T766 PolarHBondContact O-N 2.77Å; R750-T766 PolarHBondContact O-OG1 2.94Å; R750-A768 HydrophobicContact CG-CB 4.03Å
751	L	62	Low	58.8	Low	93 Å²	93	85.5 Å²	85.5	49%	0.487	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.8	170.8	-68.2	177.3	0	0	0	107.6	F743 T749 F763 N764	F743-L751 HydrophobicContact CE1-CD2 4.47Å; F743-L751 HydrophobicContact CZ-CD2 4.15Å; T749-L751 HydrophobicContact CG2-CD2 4.43Å; T749-L751 HydrophobicContact CG2-CG 4.42Å; L751-F763 HydrophobicContact CB-CB 3.76Å; L751-F763 HydrophobicContact CB-CD1 3.84Å; L751-F763 HydrophobicContact CB-CG 3.92Å; L751-F763 HydrophobicContact CD1-CG 4.44Å; L751-F763 HydrophobicContact CD2-CB 3.84Å; L751-F763 HydrophobicContact CG-CB 4.23Å; L751-N764 WeakPolarHBondContact CA-O 3.48Å
752	T	56.5	Low	58.2	Low	73 Å²	73	86 Å²	86	45%	0.448	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.6	170.8	46.2	0	0	0	0	108.6	V754 F763 N764	T752-V754 PolarHBondContact O-N 2.84Å; T752-V754 VanDerWaalsContact O-N 3.15Å; T752-F763 CarbonylContact O-C 3.45Å; T752-F763 VanDerWaalsContact O-CA 3.23Å; T752-F763 WeakPolarHBondContact O-CA 3.19Å; T752-N764 PolarHBondContact N-O 2.76Å; T752-N764 PolarHBondContact O-N 3.31Å; T752-N764 WeakPolarHBondContact OG1-CB 3.47Å; T752-N764 PolarHBondContact OG1-O 3.26Å; T752-N764 VanDerWaalsContact OG1-O 3.05Å
753	T	63.7	Low	58.1	Low	86 Å²	86	87.9 Å²	87.9	53%	0.528	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	117.9	178.2	-49.9	0	0	0	0	109.7	H756 V762 F763	T753-H756 HydrophobicContact CG2-CB 3.93Å; T753-V762 CarbonylContact C-O 3.56Å; T753-F763 HydrophobicContact CG2-CE1 4.38Å; T753-F763 VanDerWaalsContact OG1-CE1 3.23Å; T753-F763 WeakPolarHBondContact OG1-CE1 3.43Å
754	V	56.6	Low	57.8	Low	84 Å²	84	89.4 Å²	89.4	51%	0.509	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-40.4	173.1	179.8	0	0	0	0	109.7	T752 V762 N764	T752-V754 PolarHBondContact O-N 2.84Å; T752-V754 VanDerWaalsContact O-N 3.15Å; V754-V762 HydrophobicContact CB-CB 4.34Å; V754-V762 HydrophobicContact CB-CG1 4.09Å; V754-V762 PolarHBondContact N-O 3.28Å; V754-N764 HydrophobicContact CG2-CB 3.69Å; V754-N764 WeakPolarHBondContact CG2-ND2 3.45Å
755	M	50.8	Low	57.4	Low	92 Å²	92	86.8 Å²	86.8	45%	0.453	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.8	-179.6	-175.4	-175	128.7	0	0	109.2	N757 S761 V762	M755-N757 WeakPolarHBondContact CE-ND2 3.41Å; M755-S761 CarbonylContact O-C 3.53Å; M755-S761 WeakPolarHBondContact O-CA 3.49Å; M755-V762 HydrophobicContact CB-CB 3.99Å; M755-V762 HydrophobicContact CB-CG2 4.05Å; M755-V762 PolarHBondContact N-O 2.91Å; M755-V762 PolarHBondContact O-N 3.47Å
756	H	50.9	Low	56.6	Low	132 Å²	132	84.2 Å²	84.2	61%	0.611	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.8	171.4	178.8	75.1	0	0	0	108.7	T753 Y760 S761	T753-H756 HydrophobicContact CG2-CB 3.93Å; H756-Y760 CarbonylContact C-O 3.52Å; H756-Y760 WeakPolarHBondContact CA-O 3.45Å; H756-S761 PolarHBondContact CE1-OG 3.29Å; H756-S761 PolarHBondContact ND1-OG 2.96Å
757	N	59.5	Low	56	Low	60 Å²	60	82.8 Å²	82.8	32%	0.321	44%	0.441	S	S	.	.			trans	-135.7	-179.3	163.6	72.3	28.7	0	0	0	109	M755 I759 Y760	M755-N757 WeakPolarHBondContact CE-ND2 3.41Å; N757-I759 PolarHBondContact O-N 3Å; N757-I759 PolarHBondContact OD1-N 2.98Å; N757-Y760 PolarHBondContact N-O 2.74Å; N757-Y760 PolarHBondContact O-N 3.35Å; N757-Y760 PolarHBondContact OD1-N 2.77Å
758	D	60.5	Low	55.2	Low	171 Å²	171	79.5 Å²	79.5	91%	0.914	42%	0.42	S	S	*	.	S	Bend	trans	-57.5	-18.7	-173.4	-47.7	-16.7	0	0	0	114
759	I	48.5	Very low	54.7	Low	142 Å²	142	81.1 Å²	81.1	73%	0.728	43%	0.428	S	S	*	.	S	Bend	trans	-117.7	-43	-178.5	-55.9	176.7	0	0	0	112	N757	N757-I759 PolarHBondContact O-N 3Å; N757-I759 PolarHBondContact OD1-N 2.98Å
760	Y	42.9	Very low	53.9	Low	151 Å²	151	85 Å²	85	59%	0.592	44%	0.443	S	S	*	.			trans	-111.5	127.1	-170.3	-65.9	-80	0	0	0	111.4	H756 N757	H756-Y760 CarbonylContact C-O 3.52Å; H756-Y760 WeakPolarHBondContact CA-O 3.45Å; N757-Y760 PolarHBondContact N-O 2.74Å; N757-Y760 PolarHBondContact O-N 3.35Å; N757-Y760 PolarHBondContact OD1-N 2.77Å
761	S	58.3	Low	53	Low	55 Å²	55	80.6 Å²	80.6	39%	0.385	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.7	162.7	-54.4	0	0	0	0	108.8	M755 H756 F763	M755-S761 CarbonylContact O-C 3.53Å; M755-S761 WeakPolarHBondContact O-CA 3.49Å; H756-S761 PolarHBondContact CE1-OG 3.29Å; H756-S761 PolarHBondContact ND1-OG 2.96Å; S761-F763 VanDerWaalsContact CB-CE2 3.41Å
762	V	56.3	Low	51.6	Low	66 Å²	66	80 Å²	80	40%	0.4	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.3	174.9	-175.1	0	0	0	0	107.7	T753 V754 M755	T753-V762 CarbonylContact C-O 3.56Å; V754-V762 HydrophobicContact CB-CB 4.34Å; V754-V762 HydrophobicContact CB-CG1 4.09Å; V754-V762 PolarHBondContact N-O 3.28Å; M755-V762 HydrophobicContact CB-CB 3.99Å; M755-V762 HydrophobicContact CB-CG2 4.05Å; M755-V762 PolarHBondContact N-O 2.91Å; M755-V762 PolarHBondContact O-N 3.47Å
763	F	63.6	Low	50.4	Low	90 Å²	90	84 Å²	84	40%	0.395	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.5	177.2	-56.3	-88.4	0	0	0	110.7	L751 T752 T753 S761	L751-F763 HydrophobicContact CB-CB 3.76Å; L751-F763 HydrophobicContact CB-CD1 3.84Å; L751-F763 HydrophobicContact CB-CG 3.92Å; L751-F763 HydrophobicContact CD1-CG 4.44Å; L751-F763 HydrophobicContact CD2-CB 3.84Å; L751-F763 HydrophobicContact CG-CB 4.23Å; T752-F763 CarbonylContact O-C 3.45Å; T752-F763 VanDerWaalsContact O-CA 3.23Å; T752-F763 WeakPolarHBondContact O-CA 3.19Å; T753-F763 HydrophobicContact CG2-CE1 4.38Å; T753-F763 VanDerWaalsContact OG1-CE1 3.23Å; T753-F763 WeakPolarHBondContact OG1-CE1 3.43Å; S761-F763 VanDerWaalsContact CB-CE2 3.41Å
764	N	56.6	Low	49	Very low	96 Å²	96	83.6 Å²	83.6	51%	0.513	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.4	161.9	-88.9	-13.3	0	0	0	108.1	L751 T752 V754 T766	L751-N764 WeakPolarHBondContact CA-O 3.48Å; T752-N764 PolarHBondContact N-O 2.76Å; T752-N764 PolarHBondContact O-N 3.31Å; T752-N764 WeakPolarHBondContact OG1-CB 3.47Å; T752-N764 PolarHBondContact OG1-O 3.26Å; T752-N764 VanDerWaalsContact OG1-O 3.05Å; V754-N764 HydrophobicContact CG2-CB 3.69Å; V754-N764 WeakPolarHBondContact CG2-ND2 3.45Å; N764-T766 PolarHBondContact O-N 3.18Å
765	G	57.5	Low	47.9	Very low	24 Å²	24	84.2 Å²	84.2	25%	0.247	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116	168.1	0	0	0	0	0	110.6	R750	R750-G765 CarbonylContact O-C 3.53Å; R750-G765 WeakPolarHBondContact O-CA 3.43Å
766	T	51.6	Low	46.9	Very low	40 Å²	40	84.8 Å²	84.8	25%	0.245	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.7	166.6	54.2	0	0	0	0	108.1	R750 N764 A768 V771	R750-T766 PolarHBondContact N-O 2.96Å; R750-T766 PolarHBondContact O-N 2.77Å; R750-T766 PolarHBondContact O-OG1 2.94Å; N764-T766 PolarHBondContact O-N 3.18Å; T766-A768 VanDerWaalsContact C-N 3.34Å; T766-A768 PolarHBondContact O-N 2.97Å; T766-A768 VanDerWaalsContact O-N 3.13Å; T766-V771 HydrophobicContact CG2-CG2 4.46Å
767	N	49.2	Very low	46	Very low	32 Å²	32	86.8 Å²	86.8	17%	0.171	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	95.8	161.4	-150.7	-40.9	0	0	0	105.4	D746 S748 D769 K770 L800	D746-N767 PolarHBondContact OD2-ND2 3.26Å; S748-N767 VanDerWaalsContact CB-OD1 3.29Å; S748-N767 WeakPolarHBondContact CB-OD1 3.3Å; S748-N767 VanDerWaalsContact OG-CG 3.32Å; S748-N767 PolarHBondContact OG-ND2 2.97Å; S748-N767 PolarHBondContact OG-OD1 3.23Å; N767-D769 PolarHBondContact O-N 3.22Å; N767-K770 PolarHBondContact O-N 3.41Å; N767-K770 VanDerWaalsContact O-N 3.16Å; N767-L800 HydrophobicContact CB-CD2 4.35Å
768	A	46	Very low	44.8	Very low	23 Å²	23	87.8 Å²	87.8	19%	0.19	46%	0.459	C	S	.	.	H	α-helix	trans	-56.3	-26.6	-165	0	0	0	0	0	112.1	S748 R750 T766 K770 V771	S748-A768 PolarHBondContact O-N 3.07Å; R750-A768 HydrophobicContact CG-CB 4.03Å; T766-A768 VanDerWaalsContact C-N 3.34Å; T766-A768 PolarHBondContact O-N 2.97Å; T766-A768 VanDerWaalsContact O-N 3.13Å; A768-K770 PolarHBondContact O-N 3.18Å; A768-K770 VanDerWaalsContact O-N 3.15Å; A768-V771 PolarHBondContact O-N 2.96Å; A768-V771 VanDerWaalsContact O-N 3.17Å
769	D	43.3	Very low	43.6	Very low	40 Å²	40	87.7 Å²	87.7	21%	0.214	45%	0.452	C	S	.	.	H	α-helix	trans	-72.8	-4.1	-174.8	-126.2	25	0	0	0	115.8	V301 S302 D305 N767	V301-D769 WeakPolarHBondContact CG1-OD1 3.38Å; S302-D769 WeakPolarHBondContact CA-OD1 3.49Å; S302-D769 WeakPolarHBondContact CA-OD2 3.15Å; S302-D769 WeakPolarHBondContact CB-OD1 3.37Å; S302-D769 PolarHBondContact N-OD1 3.04Å; S302-D769 PolarHBondContact OG-OD1 2.99Å; D305-D769 WeakPolarHBondContact CB-OD2 3.36Å; N767-D769 PolarHBondContact O-N 3.22Å
770	K	39.9	Very low	42.8	Very low	102 Å²	102	83.7 Å²	83.7	44%	0.443	44%	0.44	S	S	.	.	H	α-helix	trans	-122.5	-2.6	172.1	-69.7	166.6	162	-173.5	0	113.6	N767 A768 Q799	N767-K770 PolarHBondContact O-N 3.41Å; N767-K770 VanDerWaalsContact O-N 3.16Å; A768-K770 PolarHBondContact O-N 3.18Å; A768-K770 VanDerWaalsContact O-N 3.15Å; K770-Q799 HydrophobicContact CD-CB 3.54Å; K770-Q799 WeakPolarHBondContact CD-O 3.24Å; K770-Q799 HydrophobicContact CG-CB 4.39Å; K770-Q799 PolarHBondContact NZ-O 2.79Å
771	V	37.7	Very low	42.5	Very low	40 Å²	40	81.5 Å²	81.5	24%	0.242	45%	0.447	C	S	.	.	H	α-helix	trans	-99.3	-25.9	-174.5	-179.6	0	0	0	0	112.6	T766 A768 L773 F774 L800	T766-V771 HydrophobicContact CG2-CG2 4.46Å; A768-V771 PolarHBondContact O-N 2.96Å; A768-V771 VanDerWaalsContact O-N 3.17Å; V771-L773 VanDerWaalsContact C-N 3.28Å; V771-L773 PolarHBondContact O-N 2.93Å; V771-F774 VanDerWaalsContact O-CB 3.26Å; V771-F774 WeakPolarHBondContact O-CB 3.32Å; V771-F774 PolarHBondContact O-N 2.81Å; V771-F774 VanDerWaalsContact O-N 3.08Å; V771-L800 HydrophobicContact CG2-CD1 4.37Å; V771-L800 HydrophobicContact CG2-CD2 3.68Å; V771-L800 HydrophobicContact CG2-CG 4.37Å
772	L	34.3	Very low	41.3	Very low	82 Å²	82	88 Å²	88	43%	0.429	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	3.2	-173.8	-94.8	105.2	0	0	0	117.3	N298 F774	N298-L772 WeakPolarHBondContact ND2-CD2 3.47Å; N298-L772 WeakPolarHBondContact OD1-CD2 3.24Å; L772-F774 PolarHBondContact O-N 2.89Å
773	L	30.5	Very low	40.3	Very low	155 Å²	155	91.6 Å²	91.6	81%	0.812	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	2.1	158.4	-100.5	155.6	0	0	0	113.5	V771	V771-L773 VanDerWaalsContact C-N 3.28Å; V771-L773 PolarHBondContact O-N 2.93Å
774	F	34.8	Very low	39.3	Very low	79 Å²	79	94.6 Å²	94.6	35%	0.346	51%	0.508	S	S	.	.	S	Bend	trans	-95.6	-26.3	-174.9	-124.2	-98.3	0	0	0	117	V771 L772 I792	V771-F774 VanDerWaalsContact O-CB 3.26Å; V771-F774 WeakPolarHBondContact O-CB 3.32Å; V771-F774 PolarHBondContact O-N 2.81Å; V771-F774 VanDerWaalsContact O-N 3.08Å; L772-F774 PolarHBondContact O-N 2.89Å; F774-I792 HydrophobicContact CE1-CB 4.39Å; F774-I792 HydrophobicContact CE1-CD1 3.95Å; F774-I792 HydrophobicContact CE1-CG1 3.84Å; F774-I792 HydrophobicContact CE1-CG2 4.19Å; F774-I792 HydrophobicContact CZ-CB 3.69Å; F774-I792 HydrophobicContact CZ-CD1 4.1Å; F774-I792 HydrophobicContact CZ-CG1 3.46Å; F774-I792 VanDerWaalsContact CZ-CG1 3.46Å; F774-I792 HydrophobicContact CZ-CG2 3.69Å
775	T	32.9	Very low	38.4	Very low	96 Å²	96	93.8 Å²	93.8	59%	0.589	52%	0.522	S	S	*	.	S	Bend	trans	-93.6	-13.4	-164.5	2	0	0	0	0	115.9	S778	T775-S778 PolarHBondContact O-OG 3.33Å
776	L	30.4	Very low	37.4	Very low	105 Å²	105	101 Å²	101	55%	0.55	55%	0.547	S	S	.	.	S	Bend	trans	-101.7	2.2	178	-79.8	165	0	0	0	114.8	D295 L658	D295-L776 VanDerWaalsContact OD1-CD1 3.23Å; D295-L776 WeakPolarHBondContact OD1-CD1 3.43Å; L658-L776 HydrophobicContact CD1-CD1 4.25Å
777	W	31.7	Very low	36.5	Very low	173 Å²	173	104.2 Å²	104.2	66%	0.655	57%	0.569	S	S	*	*	S	Bend	trans	-93.3	4.9	169.3	-118.9	41.1	0	0	0	114.1	H779	W777-H779 VanDerWaalsContact C-N 3.27Å; W777-H779 PolarHBondContact O-N 3.02Å
778	S	34.3	Very low	35.9	Very low	81 Å²	81	110.1 Å²	110.1	57%	0.566	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-5.7	172.2	52.6	0	0	0	0	114.1	T775	T775-S778 PolarHBondContact O-OG 3.33Å
779	H	35.3	Very low	35.5	Very low	170 Å²	170	114.7 Å²	114.7	79%	0.787	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	7.5	-177.4	-70.2	81.9	0	0	0	115.2	W777	W777-H779 VanDerWaalsContact C-N 3.27Å; W777-H779 PolarHBondContact O-N 3.02Å
780	A	31.1	Very low	35.2	Very low	57 Å²	57	116.2 Å²	116.2	47%	0.471	63%	0.63	S	S	.	*	S	Bend	trans	-140.1	97.3	174.4	0	0	0	0	0	111
781	S	37.3	Very low	35.1	Very low	106 Å²	106	114.8 Å²	114.8	74%	0.741	63%	0.631	S	S	*	*			trans	151.2	73.2	134.9	-62.2	0	0	0	0	110.7	L783	S781-L783 PolarHBondContact O-N 3.21Å
782	E	32.3	Very low	35	Very low	192 Å²	192	116 Å²	116	90%	0.897	64%	0.635	S	S	*	*			trans	-71.7	106.2	149	-72.4	179.7	166	0	0	107.3
783	L	36.1	Very low	35.1	Very low	141 Å²	141	114.5 Å²	114.5	74%	0.738	63%	0.627	S	S	*	*			trans	-123.3	114	160	-141.8	86.6	0	0	0	107.3	S781	S781-L783 PolarHBondContact O-N 3.21Å
784	N	43.1	Very low	35.5	Very low	153 Å²	153	109 Å²	109	82%	0.818	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.4	36.5	173	-61.9	-16.8	0	0	0	117.4	K786	N784-K786 VanDerWaalsContact C-N 3.25Å; N784-K786 PolarHBondContact O-N 3.48Å; N784-K786 VanDerWaalsContact O-N 3.12Å
785	G	36.6	Very low	35.7	Very low	79 Å²	79	108.9 Å²	108.9	81%	0.814	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.4	20.2	161.2	0	0	0	0	0	115.7
786	K	36.8	Very low	35.7	Very low	174 Å²	174	110.7 Å²	110.7	76%	0.757	60%	0.603	S	S	*	*	S	Bend	trans	-127.7	126	172.1	-68.5	-173.8	179.7	-178.5	0	110	N784 L788	N784-K786 VanDerWaalsContact C-N 3.25Å; N784-K786 PolarHBondContact O-N 3.48Å; N784-K786 VanDerWaalsContact O-N 3.12Å; K786-L788 PolarHBondContact O-N 2.97Å
787	P	33.5	Very low	36.1	Very low	109 Å²	109	108.3 Å²	108.3	71%	0.708	59%	0.59	S	S	*	*			trans	-64.5	122.8	177.6	25	-30.9	0	0	0	109.6	I789	P787-I789 HydrophobicContact CB-CG1 4.32Å; P787-I789 PolarHBondContact O-N 2.9Å
788	L	36.1	Very low	36.5	Very low	155 Å²	155	103 Å²	103	81%	0.812	58%	0.579	S	S	*	*			trans	-75.2	78.1	171.7	-132	109.9	0	0	0	108.5	K786 V790	K786-L788 PolarHBondContact O-N 2.97Å; L788-V790 VanDerWaalsContact C-N 3.32Å; L788-V790 PolarHBondContact O-N 3.43Å; L788-V790 VanDerWaalsContact O-N 3.08Å
789	I	37.1	Very low	36.8	Very low	120 Å²	120	103.3 Å²	103.3	62%	0.615	57%	0.572	S	S	*	*			trans	-74.5	89.2	167.9	-56.1	168.3	0	0	0	105.9	P787	P787-I789 HydrophobicContact CB-CG1 4.32Å; P787-I789 PolarHBondContact O-N 2.9Å
790	V	37.9	Very low	37	Very low	71 Å²	71	96.7 Å²	96.7	43%	0.43	54%	0.542	S	S	.	.			trans	169.5	104.9	163.5	158.7	0	0	0	0	105.4	L788	L788-V790 VanDerWaalsContact C-N 3.32Å; L788-V790 PolarHBondContact O-N 3.43Å; L788-V790 VanDerWaalsContact O-N 3.08Å
791	P	36.6	Very low	37.6	Very low	72 Å²	72	96.9 Å²	96.9	47%	0.468	53%	0.532	S	S	.	.	S	Bend		-133.9	42.4	63.6	28	-5.6	0	0	0	113	I793	P791-I793 VanDerWaalsContact C-N 3.3Å; P791-I793 PolarHBondContact O-N 3.39Å
792	I	36	Very low	38	Very low	65 Å²	65	99.4 Å²	99.4	33%	0.333	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.4	-174.1	-67.9	-169.3	0	0	0	113.9	F774 R796	F774-I792 HydrophobicContact CE1-CB 4.39Å; F774-I792 HydrophobicContact CE1-CD1 3.95Å; F774-I792 HydrophobicContact CE1-CG1 3.84Å; F774-I792 HydrophobicContact CE1-CG2 4.19Å; F774-I792 HydrophobicContact CZ-CB 3.69Å; F774-I792 HydrophobicContact CZ-CD1 4.1Å; F774-I792 HydrophobicContact CZ-CG1 3.46Å; F774-I792 VanDerWaalsContact CZ-CG1 3.46Å; F774-I792 HydrophobicContact CZ-CG2 3.69Å; I792-R796 WeakPolarHBondContact O-CB 3.35Å; I792-R796 WeakPolarHBondContact O-CD 3.44Å; I792-R796 VanDerWaalsContact O-CG 3.28Å; I792-R796 WeakPolarHBondContact O-CG 3.44Å
793	I	37.3	Very low	38.7	Very low	51 Å²	51	90.7 Å²	90.7	26%	0.262	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-37.1	-167.5	-46.5	-179.7	0	0	0	113.8	V694 I704 P791 V795 R796 L797	V694-I793 HydrophobicContact CG2-CD1 4.28Å; I704-I793 HydrophobicContact CD1-CB 3.92Å; I704-I793 HydrophobicContact CD1-CD1 4Å; I704-I793 HydrophobicContact CD1-CG2 3.3Å; P791-I793 VanDerWaalsContact C-N 3.3Å; P791-I793 PolarHBondContact O-N 3.39Å; I793-V795 PolarHBondContact O-N 3.42Å; I793-R796 PolarHBondContact O-N 2.94Å; I793-L797 HydrophobicContact CG2-CD1 4.18Å; I793-L797 PolarHBondContact O-N 3.17Å
794	C	39	Very low	39.7	Very low	40 Å²	40	86.6 Å²	86.6	27%	0.27	49%	0.485	S	S	.	.	H	α-helix	trans	-69.3	-34.8	-177.2	-66	0	0	0	0	113.1	I691 C798	I691-C794 HydrophobicContact CD1-CB 4.29Å; I691-C794 WeakPolarHBondContact CD1-SG 3.31Å; C794-C798 PolarHBondContact O-N 2.85Å
795	V	38.8	Very low	40.6	Very low	77 Å²	77	81.3 Å²	81.3	47%	0.467	46%	0.458	S	S	.	.	H	α-helix	trans	-79.2	-30.4	175.3	-176.4	0	0	0	0	111.3	I793 L797	I793-V795 PolarHBondContact O-N 3.42Å; V795-L797 PolarHBondContact O-N 3.21Å
796	R	33.5	Very low	42.1	Very low	134 Å²	134	82.3 Å²	82.3	51%	0.506	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-38.1	175.9	-92.6	-170.4	176.6	-166.8	-0.4	112.8	I792 I793 L800	I792-R796 WeakPolarHBondContact O-CB 3.35Å; I792-R796 WeakPolarHBondContact O-CD 3.44Å; I792-R796 VanDerWaalsContact O-CG 3.28Å; I792-R796 WeakPolarHBondContact O-CG 3.44Å; I793-R796 PolarHBondContact O-N 2.94Å; R796-L800 HydrophobicContact CB-CD1 4.39Å; R796-L800 HydrophobicContact CG-CD1 4.23Å; R796-L800 VanDerWaalsContact O-CB 3.29Å; R796-L800 WeakPolarHBondContact O-CB 3.23Å; R796-L800 WeakPolarHBondContact O-CD1 3.43Å
797	L	38.1	Very low	43.7	Very low	54 Å²	54	77 Å²	77	28%	0.283	42%	0.422	S	S	.	.	H	α-helix	trans	-87	-40.5	-176.5	-81.9	161.3	0	0	0	113.6	I704 I793 V795 Q799	I704-L797 HydrophobicContact CB-CD1 4.42Å; I704-L797 HydrophobicContact CG2-CD1 3.61Å; I793-L797 HydrophobicContact CG2-CD1 4.18Å; I793-L797 PolarHBondContact O-N 3.17Å; V795-L797 PolarHBondContact O-N 3.21Å; L797-Q799 VanDerWaalsContact C-N 3.26Å; L797-Q799 PolarHBondContact O-N 2.93Å
798	C	40	Very low	45.8	Very low	62 Å²	62	74.2 Å²	74.2	42%	0.419	40%	0.403	S	S	.	.	H	α-helix	trans	-74.3	-13.6	-173.2	-72.1	0	0	0	0	114.4	C794	C794-C798 PolarHBondContact O-N 2.85Å
799	Q	40.7	Very low	47.7	Very low	88 Å²	88	69.7 Å²	69.7	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-125.8	-14.9	-173.9	-49.7	-164	-39.3	0	0	115.2	K770 L797 F801	K770-Q799 HydrophobicContact CD-CB 3.54Å; K770-Q799 WeakPolarHBondContact CD-O 3.24Å; K770-Q799 HydrophobicContact CG-CB 4.39Å; K770-Q799 PolarHBondContact NZ-O 2.79Å; L797-Q799 VanDerWaalsContact C-N 3.26Å; L797-Q799 PolarHBondContact O-N 2.93Å; Q799-F801 VanDerWaalsContact C-N 3.3Å; Q799-F801 PolarHBondContact O-N 2.93Å
800	L	39.7	Very low	49.8	Very low	30 Å²	30	65.8 Å²	65.8	16%	0.157	36%	0.362	C	S	.	.	S	Bend	trans	-77	-11.4	-178.7	-91.5	165.4	0	0	0	114.8	N767 V771 R796	N767-L800 HydrophobicContact CB-CD2 4.35Å; V771-L800 HydrophobicContact CG2-CD1 4.37Å; V771-L800 HydrophobicContact CG2-CD2 3.68Å; V771-L800 HydrophobicContact CG2-CG 4.37Å; R796-L800 HydrophobicContact CB-CD1 4.39Å; R796-L800 HydrophobicContact CG-CD1 4.23Å; R796-L800 VanDerWaalsContact O-CB 3.29Å; R796-L800 WeakPolarHBondContact O-CB 3.23Å; R796-L800 WeakPolarHBondContact O-CD1 3.43Å
801	F	43.8	Very low	51.6	Low	61 Å²	61	65.6 Å²	65.6	27%	0.268	35%	0.354	S	S	.	.			trans	-146.4	135.6	177.1	-60	-83.2	0	0	0	108.5	F735 Q799 A803	F735-F801 AromaticContact CE1-CD1 3.88Å; F735-F801 HydrophobicContact CE1-CD1 3.88Å; F735-F801 HydrophobicContact CE1-CE1 4.27Å; F735-F801 AromaticContact CZ-CD1 4Å; F735-F801 HydrophobicContact CZ-CD1 4Å; F735-F801 AromaticContact CZ-CE1 3.93Å; F735-F801 HydrophobicContact CZ-CE1 3.93Å; Q799-F801 VanDerWaalsContact C-N 3.3Å; Q799-F801 PolarHBondContact O-N 2.93Å; F801-A803 HydrophobicContact CB-CB 3.43Å; F801-A803 VanDerWaalsContact CB-CB 3.43Å; F801-A803 HydrophobicContact CG-CB 4.26Å; F801-A803 PolarHBondContact O-N 3.49Å
802	D	44.5	Very low	53.6	Low	159 Å²	159	65.4 Å²	65.4	85%	0.85	35%	0.352	S	S	*	.	S	Bend	trans	-62.6	10.3	153	-99.9	-10	0	0	0	111.8	A804	D802-A804 PolarHBondContact O-N 3.21Å
803	A	48	Very low	55.7	Low	10 Å²	10	62.9 Å²	62.9	8%	0.083	34%	0.342	C	S	.	.	S	Bend	trans	-65.4	99.8	166.3	0	0	0	0	0	108	K732 F801 V805	K732-A803 HydrophobicContact CG-CB 4.48Å; F801-A803 HydrophobicContact CB-CB 3.43Å; F801-A803 VanDerWaalsContact CB-CB 3.43Å; F801-A803 HydrophobicContact CG-CB 4.26Å; F801-A803 PolarHBondContact O-N 3.49Å; A803-V805 PolarHBondContact O-N 3.3Å; A803-V805 VanDerWaalsContact O-N 3.15Å
804	A	57.2	Low	57.9	Low	54 Å²	54	63.9 Å²	63.9	45%	0.446	35%	0.35	S	S	.	.			trans	-44.2	121.7	175.5	0	0	0	0	0	110.8	K733 D802	K733-A804 WeakPolarHBondContact CB-O 3.17Å; K733-A804 HydrophobicContact CD-CB 3.83Å; K733-A804 WeakPolarHBondContact CD-O 3.48Å; K733-A804 WeakPolarHBondContact CG-O 3.48Å; K733-A804 PolarHBondContact N-O 3.15Å; D802-A804 PolarHBondContact O-N 3.21Å
805	V	61.3	Low	59.9	Low	43 Å²	43	66 Å²	66	26%	0.261	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.8	174.5	178.1	0	0	0	0	108	L730 E731 A803 V807	L730-V805 HydrophobicContact CB-CG1 3.86Å; L730-V805 HydrophobicContact CD2-CG1 4.14Å; E731-V805 WeakPolarHBondContact O-CA 3.3Å; A803-V805 PolarHBondContact O-N 3.3Å; A803-V805 VanDerWaalsContact O-N 3.15Å; V805-V807 HydrophobicContact CG1-CG2 4.35Å
806	K	68.6	Low	61.6	Low	100 Å²	100	68 Å²	68	44%	0.435	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.4	167.5	176.3	-175.1	164.7	-151.2	0	108.3	E731	E731-K806 HydrophobicContact CB-CB 4.26Å; E731-K806 PolarHBondContact N-O 3.26Å; E731-K806 PolarHBondContact O-N 2.68Å; E731-K806 WeakPolarHBondContact OE2-CD 3.4Å; E731-K806 IonicContact OE2-NZ 3.58Å; E731-K806 PolarHBondContact OE2-NZ 3.05Å
807	V	71	Confident	63.9	Low	62 Å²	62	64.9 Å²	64.9	38%	0.376	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.3	178.9	-174.3	0	0	0	0	109.2	L686 V728 V729 L730 V805 T809	L686-V807 HydrophobicContact CD2-CG1 3.86Å; V728-V807 HydrophobicContact CG1-CG1 4Å; V729-V807 CarbonylContact O-C 3.51Å; V729-V807 WeakPolarHBondContact O-CA 3.45Å; L730-V807 HydrophobicContact CD2-CB 4.24Å; L730-V807 HydrophobicContact CD2-CG1 3.95Å; L730-V807 HydrophobicContact CD2-CG2 3.64Å; V805-V807 HydrophobicContact CG1-CG2 4.35Å; V807-T809 HydrophobicContact CG1-CG2 4.22Å
808	T	77.1	Confident	66	Low	51 Å²	51	63.5 Å²	63.5	31%	0.313	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126	172.1	-52.2	0	0	0	0	108.8	V729	V729-T808 PolarHBondContact N-O 3.42Å; V729-T808 PolarHBondContact O-N 2.95Å
809	T	76.1	Confident	67.9	Low	60 Å²	60	66.2 Å²	66.2	37%	0.368	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.3	177.9	55.7	0	0	0	0	111	V685 F689 V727 V728 V807	V685-T809 HydrophobicContact CG1-CG2 3.72Å; F689-T809 HydrophobicContact CE2-CG2 3.85Å; F689-T809 HydrophobicContact CZ-CG2 4.35Å; V727-T809 CarbonylContact O-C 3.36Å; V727-T809 WeakPolarHBondContact O-CA 3.44Å; V728-T809 HydrophobicContact CG1-CG2 4.34Å; V728-T809 HydrophobicContact CG2-CG2 4.17Å; V807-T809 HydrophobicContact CG1-CG2 4.22Å
810	I	79.9	Confident	69.6	Low	37 Å²	37	68.2 Å²	68.2	19%	0.19	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110	175.7	-56.5	172.6	0	0	0	106.6	A726 V727 H817 W821	A726-I810 CarbonylContact C-O 3.6Å; A726-I810 VanDerWaalsContact CA-O 3.28Å; A726-I810 WeakPolarHBondContact CA-O 3.36Å; V727-I810 HydrophobicContact CB-CB 4.21Å; V727-I810 HydrophobicContact CB-CD1 4.42Å; V727-I810 PolarHBondContact N-O 2.95Å; V727-I810 PolarHBondContact O-N 3.49Å; I810-H817 HydrophobicContact CG2-CB 4.17Å; I810-W821 HydrophobicContact CD1-CZ2 4.38Å
811	Y	77	Confident	71.5	Confident	67 Å²	67	69.4 Å²	69.4	26%	0.263	37%	0.37	S	S	.	.	S	Bend	trans	-149.5	135.7	-178.3	172.6	-91.8	0	0	0	110.9	F689 K710 D720 Q724 A726	F689-Y811 HydrophobicContact CE1-CD2 4.39Å; F689-Y811 HydrophobicContact CE1-CG 4.48Å; K710-Y811 HydrophobicContact CB-CD2 4.06Å; K710-Y811 HydrophobicContact CB-CE2 3.63Å; K710-Y811 HydrophobicContact CD-CD1 4.02Å; K710-Y811 HydrophobicContact CD-CD2 4.19Å; K710-Y811 HydrophobicContact CD-CE1 3.57Å; K710-Y811 HydrophobicContact CD-CE2 3.74Å; K710-Y811 HydrophobicContact CD-CG 4.32Å; K710-Y811 VanDerWaalsContact CD-CZ 3.41Å; K710-Y811 HydrophobicContact CG-CE2 4.38Å; D720-Y811 PolarHBondContact OD1-OH 3.25Å; D720-Y811 PolarHBondContact OD2-OH 3.08Å; Q724-Y811 HydrophobicContact CB-CE2 3.93Å; A726-Y811 HydrophobicContact CB-CD2 4.01Å
812	P	77.9	Confident	73.4	Confident	68 Å²	68	67.8 Å²	67.8	44%	0.442	37%	0.366	S	S	.	.	S	Bend	cis	-70.1	137.4	-8.6	29.1	-33.4	0	0	0	112.1	Q724	Q724-P812 HydrophobicContact CB-CB 4.12Å
813	A	80.3	Confident	75.2	Confident	13 Å²	13	66.7 Å²	66.7	11%	0.107	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-81.5	119.9	177	0	0	0	0	0	109.8	D725 V727 H817 I818	D725-A813 HydrophobicContact CB-CB 4.44Å; D725-A813 WeakPolarHBondContact O-CB 3.19Å; D725-A813 PolarHBondContact O-N 3.5Å; V727-A813 HydrophobicContact CG2-CB 3.91Å; A813-H817 HydrophobicContact CB-CB 4.11Å; A813-I818 HydrophobicContact CB-CG1 4.11Å
814	T	83.4	Confident	76.7	Confident	71 Å²	71	67.7 Å²	67.7	44%	0.436	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-73.9	164.2	168.3	63.3	0	0	0	0	109.6	E816 H817 I818	T814-E816 PolarHBondContact O-N 2.86Å; T814-E816 VanDerWaalsContact O-N 3.08Å; T814-E816 PolarHBondContact OG1-N 3.47Å; T814-H817 PolarHBondContact N-ND1 2.72Å; T814-H817 WeakPolarHBondContact O-CB 3.22Å; T814-H817 PolarHBondContact O-N 2.75Å; T814-H817 PolarHBondContact OG1-N 3.05Å; T814-H817 PolarHBondContact OG1-ND1 3.36Å; T814-I818 PolarHBondContact O-N 3.15Å; T814-I818 VanDerWaalsContact O-N 3.08Å
815	A	80.7	Confident	77.8	Confident	86 Å²	86	68.1 Å²	68.1	71%	0.711	36%	0.357	S	S	*	.	H	α-helix	trans	-53.3	-30.6	170.5	0	0	0	0	0	112	R819	A815-R819 VanDerWaalsContact O-CB 3.24Å; A815-R819 WeakPolarHBondContact O-CB 3.35Å; A815-R819 PolarHBondContact O-N 2.98Å
816	E	75.1	Confident	78.8	Confident	118 Å²	118	71.3 Å²	71.3	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-72.3	-37.4	177.3	-144.9	172.6	-159.2	0	0	113.2	T814 R819 K820	T814-E816 PolarHBondContact O-N 2.86Å; T814-E816 VanDerWaalsContact O-N 3.08Å; T814-E816 PolarHBondContact OG1-N 3.47Å; E816-R819 PolarHBondContact O-N 2.78Å; E816-R819 IonicContact OE1-CZ 3.65Å; E816-R819 IonicContact OE1-NH2 3.12Å; E816-R819 PolarHBondContact OE1-NH2 2.97Å; E816-K820 VanDerWaalsContact O-CB 3.31Å; E816-K820 WeakPolarHBondContact O-CB 3.34Å; E816-K820 PolarHBondContact O-N 2.84Å
817	H	80.8	Confident	79.6	Confident	69 Å²	69	69 Å²	69	32%	0.319	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-47.2	171.3	-65.5	150.6	0	0	0	111.2	I810 A813 T814 R819 K820 W821	I810-H817 HydrophobicContact CG2-CB 4.17Å; A813-H817 HydrophobicContact CB-CB 4.11Å; T814-H817 PolarHBondContact N-ND1 2.72Å; T814-H817 WeakPolarHBondContact O-CB 3.22Å; T814-H817 PolarHBondContact O-N 2.75Å; T814-H817 PolarHBondContact OG1-N 3.05Å; T814-H817 PolarHBondContact OG1-ND1 3.36Å; H817-R819 VanDerWaalsContact C-N 3.32Å; H817-R819 PolarHBondContact O-N 2.93Å; H817-K820 PolarHBondContact O-N 3.26Å; H817-W821 VanDerWaalsContact O-CD1 3.29Å; H817-W821 PolarHBondContact O-N 2.92Å
818	I	83	Confident	80.3	Confident	24 Å²	24	69.9 Å²	69.9	12%	0.123	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-44.4	177.9	-62.9	164.6	0	0	0	110	L695 Q707 D725 V727 A813 T814 W821 S822	L695-I818 HydrophobicContact CD1-CG2 4.15Å; L695-I818 HydrophobicContact CD2-CG2 3.72Å; Q707-I818 HydrophobicContact CG-CD1 4.36Å; Q707-I818 HydrophobicContact CG-CG1 4.44Å; D725-I818 HydrophobicContact CB-CD1 3.91Å; D725-I818 WeakPolarHBondContact OD2-CD1 3.27Å; V727-I818 HydrophobicContact CG2-CG1 4Å; A813-I818 HydrophobicContact CB-CG1 4.11Å; T814-I818 PolarHBondContact O-N 3.15Å; T814-I818 VanDerWaalsContact O-N 3.08Å; I818-W821 PolarHBondContact O-N 3.21Å; I818-S822 PolarHBondContact O-N 3.25Å; I818-S822 PolarHBondContact O-OG 3.13Å
819	R	79.8	Confident	80.8	Confident	120 Å²	120	67.6 Å²	67.6	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-48.4	175.7	-169.7	-177.8	76.6	-154.3	-3.8	111.8	A815 E816 H817 W821 S822 D1002	A815-R819 VanDerWaalsContact O-CB 3.24Å; A815-R819 WeakPolarHBondContact O-CB 3.35Å; A815-R819 PolarHBondContact O-N 2.98Å; E816-R819 PolarHBondContact O-N 2.78Å; E816-R819 IonicContact OE1-CZ 3.65Å; E816-R819 IonicContact OE1-NH2 3.12Å; E816-R819 PolarHBondContact OE1-NH2 2.97Å; H817-R819 VanDerWaalsContact C-N 3.32Å; H817-R819 PolarHBondContact O-N 2.93Å; R819-W821 PolarHBondContact O-N 3.45Å; R819-S822 PolarHBondContact O-N 3.3Å; R819-D1002 WeakPolarHBondContact CD-OD2 3.45Å; R819-D1002 VanDerWaalsContact CG-OD2 3.23Å; R819-D1002 WeakPolarHBondContact CG-OD2 3.36Å; R819-D1002 IonicContact NE-OD2 3.27Å
820	K	76.2	Confident	81.4	Confident	129 Å²	129	65.5 Å²	65.5	56%	0.561	33%	0.333	S	S	*	.	H	α-helix	trans	-56.6	-36.6	-179.3	178.9	-179.7	177.4	-179.5	0	113.3	E816 H817 R1000	E816-K820 VanDerWaalsContact O-CB 3.31Å; E816-K820 WeakPolarHBondContact O-CB 3.34Å; E816-K820 PolarHBondContact O-N 2.84Å; H817-K820 PolarHBondContact O-N 3.26Å; K820-R1000 PolarHBondContact O-NH1 2.88Å; K820-R1000 VanDerWaalsContact O-NH1 3.1Å
821	W	80.9	Confident	82	Confident	55 Å²	55	63.8 Å²	63.8	21%	0.208	32%	0.324	C	S	.	.	H	α-helix	trans	-98.9	0.3	-176.9	-72.4	103.8	0	0	0	114.3	L695 K696 L703 A705 V727 V729 I810 H817 I818 R819	L695-W821 CarbonylContact C-O 3.58Å; L695-W821 VanDerWaalsContact CB-O 3.25Å; L695-W821 WeakPolarHBondContact CB-O 3.46Å; L695-W821 HydrophobicContact CD1-CB 4.2Å; K696-W821 WeakPolarHBondContact CB-O 3.38Å; L703-W821 HydrophobicContact CD1-CZ3 4.23Å; A705-W821 HydrophobicContact CB-CB 4.13Å; A705-W821 HydrophobicContact CB-CD2 4.39Å; A705-W821 HydrophobicContact CB-CE3 3.79Å; V727-W821 HydrophobicContact CG1-CB 3.8Å; V727-W821 HydrophobicContact CG1-CD2 4.41Å; V727-W821 HydrophobicContact CG1-CG 3.74Å; V729-W821 HydrophobicContact CB-CH2 4.36Å; V729-W821 HydrophobicContact CB-CZ3 4.3Å; V729-W821 HydrophobicContact CG1-CE3 4.33Å; V729-W821 HydrophobicContact CG1-CH2 3.94Å; V729-W821 HydrophobicContact CG1-CZ3 3.66Å; V729-W821 HydrophobicContact CG2-CD2 3.83Å; V729-W821 HydrophobicContact CG2-CE3 3.69Å; V729-W821 HydrophobicContact CG2-CH2 3.73Å; V729-W821 HydrophobicContact CG2-CZ2 3.86Å; V729-W821 HydrophobicContact CG2-CZ3 3.64Å; I810-W821 HydrophobicContact CD1-CZ2 4.38Å; H817-W821 VanDerWaalsContact O-CD1 3.29Å; H817-W821 PolarHBondContact O-N 2.92Å; I818-W821 PolarHBondContact O-N 3.21Å; R819-W821 PolarHBondContact O-N 3.45Å
822	S	83.7	Confident	82.7	Confident	28 Å²	28	62.4 Å²	62.4	20%	0.196	32%	0.322	C	S	.	.	S	Bend	trans	-76.3	144.6	171.6	-63.6	0	0	0	0	111	L695 I818 R819	L695-S822 WeakPolarHBondContact CD2-OG 3.31Å; L695-S822 CarbonylContact O-C 3.39Å; L695-S822 WeakPolarHBondContact O-CA 3.13Å; I818-S822 PolarHBondContact O-N 3.25Å; I818-S822 PolarHBondContact O-OG 3.13Å; R819-S822 PolarHBondContact O-N 3.3Å
823	E	81.8	Confident	83.4	Confident	135 Å²	135	60 Å²	60	63%	0.631	31%	0.306	S	S	*	.			trans	-66.6	130.9	170.8	-170.4	169.2	-174.3	0	0	109.5	L695 K696	L695-E823 WeakPolarHBondContact O-CB 3.2Å; L695-E823 PolarHBondContact O-N 3.26Å; K696-E823 HydrophobicContact CB-CB 4.18Å; K696-E823 HydrophobicContact CG-CB 4.24Å
824	Q	78.1	Confident	83.9	Confident	31 Å²	31	64.8 Å²	64.8	15%	0.145	33%	0.327	C	S	.	.			trans	-142.8	137	-175	-68.3	176.9	-23.8	0	0	108.3	F826 R1000 D1002	Q824-F826 WeakPolarHBondContact O-CD2 3.48Å; Q824-F826 PolarHBondContact O-N 3.26Å; Q824-R1000 HydrophobicContact CB-CB 4.49Å; Q824-D1002 PolarHBondContact NE2-OD1 2.81Å; Q824-D1002 PolarHBondContact NE2-OD2 2.91Å; Q824-D1002 PolarHBondContact OE1-OD1 3.35Å
825	P	81.7	Confident	84.3	Confident	64 Å²	64	62.6 Å²	62.6	42%	0.416	31%	0.312	S	S	.	.			trans	-66.1	139.4	174.4	19.9	-19.5	0	0	0	109.6	F827 E1001	P825-F827 HydrophobicContact CB-CE2 4.07Å; P825-F827 HydrophobicContact CB-CZ 4.38Å; P825-F827 HydrophobicContact CG-CE2 4.12Å; P825-F827 HydrophobicContact CG-CZ 4.48Å; P825-E1001 WeakPolarHBondContact CD-OE2 3.35Å; P825-E1001 HydrophobicContact CG-CB 3.89Å; P825-E1001 HydrophobicContact CG-CG 4.32Å; P825-E1001 WeakPolarHBondContact CG-OE2 3.25Å; P825-E1001 PolarHBondContact O-N 3.38Å
826	F	81.8	Confident	84.9	Confident	110 Å²	110	59 Å²	59	48%	0.482	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140	172.2	-71.8	-95.8	0	0	0	109.3	Q824 L999 R1000	Q824-F826 WeakPolarHBondContact O-CD2 3.48Å; Q824-F826 PolarHBondContact O-N 3.26Å; F826-L999 CarbonylContact C-O 3.51Å; F826-L999 WeakPolarHBondContact CA-O 3.1Å; F826-R1000 HydrophobicContact CD1-CG 3.97Å; F826-R1000 HydrophobicContact CE1-CG 3.5Å; F826-R1000 VanDerWaalsContact CE1-CG 3.5Å; F826-R1000 HydrophobicContact CZ-CG 3.91Å
827	F	85.3	Confident	85.8	Confident	52 Å²	52	60.4 Å²	60.4	23%	0.228	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.8	175.7	-66.2	-90	0	0	0	108.8	P825 T998 L999 E1001 L1006	P825-F827 HydrophobicContact CB-CE2 4.07Å; P825-F827 HydrophobicContact CB-CZ 4.38Å; P825-F827 HydrophobicContact CG-CE2 4.12Å; P825-F827 HydrophobicContact CG-CZ 4.48Å; F827-T998 WeakPolarHBondContact O-CA 3.49Å; F827-L999 PolarHBondContact N-O 2.98Å; F827-L999 PolarHBondContact O-N 3.15Å; F827-E1001 HydrophobicContact CD2-CB 4.35Å; F827-E1001 HydrophobicContact CE2-CB 3.72Å; F827-E1001 HydrophobicContact CE2-CG 3.76Å; F827-E1001 HydrophobicContact CZ-CG 4.43Å; F827-L1006 HydrophobicContact CB-CD1 3.91Å; F827-L1006 HydrophobicContact CB-CD2 4.19Å; F827-L1006 HydrophobicContact CD2-CD2 3.53Å; F827-L1006 HydrophobicContact CE2-CD2 4.18Å; F827-L1006 HydrophobicContact CG-CD1 4.45Å; F827-L1006 HydrophobicContact CG-CD2 4Å
828	M	86.3	Confident	86.3	Confident	80 Å²	80	64.2 Å²	64.2	39%	0.394	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.1	166.5	-169.4	66.5	70.5	0	0	108.3	T998	M828-T998 HydrophobicContact CE-CG2 3.92Å; M828-T998 HydrophobicContact SD-CG2 4.11Å
829	V	87.7	Confident	86.7	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.3	-178.4	-179.3	0	0	0	0	108.9	Y996 F997 L999 L1006 L1009	V829-Y996 WeakPolarHBondContact O-CA 3.23Å; V829-F997 HydrophobicContact CG1-CZ 4.46Å; V829-F997 PolarHBondContact N-O 2.77Å; V829-F997 PolarHBondContact O-N 2.69Å; V829-F997 VanDerWaalsContact O-N 3.08Å; V829-L999 HydrophobicContact CG2-CB 4.09Å; V829-L999 HydrophobicContact CG2-CD1 4.02Å; V829-L999 HydrophobicContact CG2-CG 4.07Å; V829-L1006 HydrophobicContact CG2-CD1 3.49Å; V829-L1006 VanDerWaalsContact CG2-CD1 3.49Å; V829-L1009 HydrophobicContact CG1-CB 4.22Å; V829-L1009 HydrophobicContact CG1-CD1 3.72Å
830	S	88.6	Confident	87.3	Confident	16 Å²	16	58.9 Å²	58.9	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.7	173.2	-177.3	0	0	0	0	108.3	T994 Y996	S830-T994 WeakPolarHBondContact OG-CG2 3.37Å; S830-Y996 WeakPolarHBondContact OG-CE1 3.45Å
831	E	91.5	Very high	88	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	108.4	-177.6	-178.8	-167.8	86.3	0	0	110.2	D835 Y836 T840 R909 Y947 Q948 T994 M995 F997 L1009	E831-D835 HydrophobicContact CG-CB 4.08Å; E831-Y836 WeakPolarHBondContact OE1-CD2 3.24Å; E831-T840 WeakPolarHBondContact OE2-CB 3.38Å; E831-T840 WeakPolarHBondContact OE2-CG2 3.23Å; E831-T840 PolarHBondContact OE2-OG1 2.57Å; E831-R909 PolarHBondContact O-NH2 2.87Å; E831-R909 IonicContact OE1-CZ 2.78Å; E831-R909 IonicContact OE1-NE 3.1Å; E831-R909 IonicContact OE1-NH2 3.52Å; E831-R909 PolarHBondContact OE1-NH2 2.98Å; E831-Y947 PolarHBondContact OE1-OH 2.95Å; E831-Q948 PolarHBondContact OE2-NE2 2.79Å; E831-T994 CarbonylContact O-C 3.56Å; E831-T994 WeakPolarHBondContact O-CA 3.36Å; E831-M995 PolarHBondContact N-O 2.95Å; E831-M995 PolarHBondContact O-N 3.47Å; E831-F997 HydrophobicContact CB-CE1 3.6Å; E831-F997 HydrophobicContact CB-CZ 4.16Å; E831-F997 HydrophobicContact CG-CE1 4.33Å; E831-F997 WeakPolarHBondContact OE2-CZ 3.09Å; E831-L1009 HydrophobicContact CG-CD2 4.47Å
832	T	91.9	Very high	88.5	Confident	39 Å²	39	55.6 Å²	55.6	24%	0.239	28%	0.279	C	S	.	.			trans	-71.7	162.7	174.2	64.5	0	0	0	0	111.4	E834 D835 Y836 T994	T832-E834 PolarHBondContact O-N 3.41Å; T832-D835 WeakPolarHBondContact CB-OD2 3.19Å; T832-D835 WeakPolarHBondContact CG2-OD2 3.31Å; T832-D835 PolarHBondContact N-OD2 3.45Å; T832-D835 PolarHBondContact O-N 2.99Å; T832-D835 WeakPolarHBondContact OG1-CB 3.31Å; T832-D835 PolarHBondContact OG1-N 3.48Å; T832-D835 PolarHBondContact OG1-OD2 2.84Å; T832-Y836 PolarHBondContact O-N 3.5Å; T832-T994 HydrophobicContact CG2-CG2 4.35Å
833	P	92.1	Very high	88.8	Confident	16 Å²	16	56.4 Å²	56.4	10%	0.104	28%	0.278	C	S	.	.	H	α-helix	trans	-54.2	-37.1	171.2	-26.6	35.9	0	0	0	113.6	Y836 K837 A991 K992	P833-Y836 PolarHBondContact O-N 2.93Å; P833-K837 WeakPolarHBondContact O-CG 3.38Å; P833-K837 PolarHBondContact O-N 3.05Å; P833-K837 VanDerWaalsContact O-N 3.13Å; P833-A991 WeakPolarHBondContact CB-O 3.42Å; P833-K992 WeakPolarHBondContact CG-O 3.07Å
834	E	91.2	Very high	89	Confident	114 Å²	114	50.2 Å²	50.2	53%	0.533	25%	0.249	S	C	.	.	H	α-helix	trans	-67.2	-46.7	176.5	-68.5	67.8	-149.7	0	0	111.1	T832 Y836 K837 Q838	T832-E834 PolarHBondContact O-N 3.41Å; E834-Y836 VanDerWaalsContact C-N 3.27Å; E834-Y836 PolarHBondContact O-N 3.21Å; E834-K837 PolarHBondContact O-N 2.99Å; E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 WeakPolarHBondContact O-CG 3.47Å; E834-Q838 PolarHBondContact O-N 2.95Å
835	D	91.7	Very high	89.4	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.134	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-41.2	175.6	-64.3	-45.4	0	0	0	111	E831 T832 T839 T840 L1009 R1012	E831-D835 HydrophobicContact CG-CB 4.08Å; T832-D835 WeakPolarHBondContact CB-OD2 3.19Å; T832-D835 WeakPolarHBondContact CG2-OD2 3.31Å; T832-D835 PolarHBondContact N-OD2 3.45Å; T832-D835 PolarHBondContact O-N 2.99Å; T832-D835 WeakPolarHBondContact OG1-CB 3.31Å; T832-D835 PolarHBondContact OG1-N 3.48Å; T832-D835 PolarHBondContact OG1-OD2 2.84Å; D835-T839 WeakPolarHBondContact O-CA 3.27Å; D835-T839 WeakPolarHBondContact O-CB 3.37Å; D835-T839 PolarHBondContact O-N 3.2Å; D835-T840 PolarHBondContact O-N 3.47Å; D835-L1009 HydrophobicContact CB-CD2 3.84Å; D835-R1012 IonicContact OD1-NH1 3.87Å
836	Y	94.1	Very high	89.4	Confident	12 Å²	12	58.6 Å²	58.6	5%	0.047	28%	0.282	C	S	.	.	I	π-helix	trans	-60.5	-51.3	177.2	178.1	-96.1	0	0	0	111.5	E831 T832 P833 E834 Q838 T840 E841 I844 R909	E831-Y836 WeakPolarHBondContact OE1-CD2 3.24Å; T832-Y836 PolarHBondContact O-N 3.5Å; P833-Y836 PolarHBondContact O-N 2.93Å; E834-Y836 VanDerWaalsContact C-N 3.27Å; E834-Y836 PolarHBondContact O-N 3.21Å; Y836-Q838 PolarHBondContact O-N 2.79Å; Y836-T840 HydrophobicContact CD2-CG2 3.94Å; Y836-T840 HydrophobicContact CE2-CG2 4.19Å; Y836-T840 PolarHBondContact O-N 2.63Å; Y836-E841 HydrophobicContact CD1-CB 4.19Å; Y836-E841 HydrophobicContact CE1-CB 3.75Å; Y836-E841 HydrophobicContact CE1-CG 4.32Å; Y836-E841 HydrophobicContact CE2-CB 4.3Å; Y836-E841 WeakPolarHBondContact O-CB 3.15Å; Y836-E841 PolarHBondContact O-N 3.47Å; Y836-I844 HydrophobicContact CE2-CD1 4.29Å; Y836-R909 HydrophobicContact CD1-CG 3.9Å; Y836-R909 HydrophobicContact CD2-CG 4.01Å; Y836-R909 HydrophobicContact CE1-CG 3.67Å; Y836-R909 HydrophobicContact CE2-CB 4.37Å; Y836-R909 HydrophobicContact CE2-CG 3.79Å; Y836-R909 HydrophobicContact CG-CG 4.06Å
837	K	92.5	Very high	89.1	Confident	146 Å²	146	57.6 Å²	57.6	64%	0.635	28%	0.282	S	S	*	.	I	π-helix	trans	-66.1	-38.3	-178.6	-72.1	178.2	-178.9	176	0	113.1	P833 E834 P842	P833-K837 WeakPolarHBondContact O-CG 3.38Å; P833-K837 PolarHBondContact O-N 3.05Å; P833-K837 VanDerWaalsContact O-N 3.13Å; E834-K837 PolarHBondContact O-N 2.99Å; K837-P842 WeakPolarHBondContact O-CD 3.48Å; K837-P842 WeakPolarHBondContact O-CG 3.39Å
838	Q	92.2	Very high	88.1	Confident	150 Å²	150	60.4 Å²	60.4	70%	0.701	29%	0.294	S	S	*	.	I	π-helix	trans	-85.2	-28.6	-175.3	-67.2	-178.7	3.1	0	0	113	E834 Y836	E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 WeakPolarHBondContact O-CG 3.47Å; E834-Q838 PolarHBondContact O-N 2.95Å; Y836-Q838 PolarHBondContact O-N 2.79Å
839	T	91.4	Very high	87.3	Confident	31 Å²	31	62.5 Å²	62.5	19%	0.19	31%	0.306	C	S	.	.	I	π-helix	trans	-125.4	-62.8	-167.7	-51.4	0	0	0	0	112	D835 Y843 L1008 L1009	D835-T839 WeakPolarHBondContact O-CA 3.27Å; D835-T839 WeakPolarHBondContact O-CB 3.37Å; D835-T839 PolarHBondContact O-N 3.2Å; T839-Y843 VanDerWaalsContact O-CB 3.23Å; T839-Y843 WeakPolarHBondContact O-CB 3.49Å; T839-Y843 PolarHBondContact O-N 2.9Å; T839-L1008 HydrophobicContact CG2-CB 3.5Å; T839-L1009 HydrophobicContact CG2-CD2 3.96Å; T839-L1009 HydrophobicContact CG2-CG 4.34Å
840	T	91.8	Very high	86.8	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.328	C	S	.	.	I	π-helix	trans	-68.3	-49.6	-169.5	-54	0	0	0	0	112.4	E831 D835 Y836 Y843 I844 L1005	E831-T840 WeakPolarHBondContact OE2-CB 3.38Å; E831-T840 WeakPolarHBondContact OE2-CG2 3.23Å; E831-T840 PolarHBondContact OE2-OG1 2.57Å; D835-T840 PolarHBondContact O-N 3.47Å; Y836-T840 HydrophobicContact CD2-CG2 3.94Å; Y836-T840 HydrophobicContact CE2-CG2 4.19Å; Y836-T840 PolarHBondContact O-N 2.63Å; T840-Y843 WeakPolarHBondContact O-CB 3.49Å; T840-Y843 PolarHBondContact O-N 3.39Å; T840-I844 HydrophobicContact CG2-CD1 3.46Å; T840-I844 VanDerWaalsContact CG2-CD1 3.46Å; T840-I844 HydrophobicContact CG2-CG1 4.15Å; T840-I844 WeakPolarHBondContact O-CB 3.34Å; T840-I844 WeakPolarHBondContact O-CD1 3.44Å; T840-I844 WeakPolarHBondContact O-CG1 3.32Å; T840-I844 PolarHBondContact O-N 3.35Å; T840-L1005 HydrophobicContact CG2-CD1 4.13Å; T840-L1005 HydrophobicContact CG2-CD2 3.88Å
841	E	92.4	Very high	86.6	Confident	57 Å²	57	65.7 Å²	65.7	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-49.2	179.8	175.3	169.6	-123.6	0	0	112.3	Y836 Y843 I844 L845	Y836-E841 HydrophobicContact CD1-CB 4.19Å; Y836-E841 HydrophobicContact CE1-CB 3.75Å; Y836-E841 HydrophobicContact CE1-CG 4.32Å; Y836-E841 HydrophobicContact CE2-CB 4.3Å; Y836-E841 WeakPolarHBondContact O-CB 3.15Å; Y836-E841 PolarHBondContact O-N 3.47Å; E841-Y843 VanDerWaalsContact C-N 3.29Å; E841-Y843 PolarHBondContact O-N 3.38Å; E841-I844 PolarHBondContact O-N 3.27Å; E841-L845 HydrophobicContact CG-CD1 3.95Å; E841-L845 HydrophobicContact CG-CG 4.36Å; E841-L845 WeakPolarHBondContact O-CB 3.45Å; E841-L845 VanDerWaalsContact O-CG 3.29Å; E841-L845 WeakPolarHBondContact O-CG 3.2Å; E841-L845 PolarHBondContact O-N 3.26Å
842	P	91.2	Very high	86.3	Confident	59 Å²	59	72.8 Å²	72.8	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-56.4	-40.9	172.1	-27.9	36	0	0	0	113.3	K837 L845 K846	K837-P842 WeakPolarHBondContact O-CD 3.48Å; K837-P842 WeakPolarHBondContact O-CG 3.39Å; P842-L845 PolarHBondContact O-N 3.08Å; P842-K846 VanDerWaalsContact O-CB 3.24Å; P842-K846 WeakPolarHBondContact O-CB 3.36Å; P842-K846 PolarHBondContact O-N 2.79Å
843	Y	89.7	Confident	85.8	Confident	45 Å²	45	76.7 Å²	76.7	18%	0.176	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-44.9	177	173.4	-99.4	0	0	0	112	T839 T840 E841 K846 N847 P1004 L1005 L1008	T839-Y843 VanDerWaalsContact O-CB 3.23Å; T839-Y843 WeakPolarHBondContact O-CB 3.49Å; T839-Y843 PolarHBondContact O-N 2.9Å; T840-Y843 WeakPolarHBondContact O-CB 3.49Å; T840-Y843 PolarHBondContact O-N 3.39Å; E841-Y843 VanDerWaalsContact C-N 3.29Å; E841-Y843 PolarHBondContact O-N 3.38Å; Y843-K846 PolarHBondContact O-N 3.24Å; Y843-N847 WeakPolarHBondContact CD2-ND2 3.29Å; Y843-N847 WeakPolarHBondContact CE2-ND2 3.46Å; Y843-N847 WeakPolarHBondContact O-CB 3.32Å; Y843-N847 PolarHBondContact O-N 3.45Å; Y843-N847 PolarHBondContact O-ND2 3.19Å; Y843-P1004 HydrophobicContact CE2-CB 3.8Å; Y843-P1004 WeakPolarHBondContact OH-CB 3.47Å; Y843-P1004 WeakPolarHBondContact OH-CD 3.41Å; Y843-P1004 WeakPolarHBondContact OH-CG 3.13Å; Y843-L1005 HydrophobicContact CD1-CB 4.07Å; Y843-L1005 HydrophobicContact CD1-CD1 3.84Å; Y843-L1005 HydrophobicContact CD1-CD2 4.43Å; Y843-L1005 HydrophobicContact CD1-CG 4.33Å; Y843-L1005 HydrophobicContact CE1-CB 3.8Å; Y843-L1005 HydrophobicContact CE1-CD1 4.45Å; Y843-L1005 HydrophobicContact CE1-CG 4.5Å; Y843-L1005 HydrophobicContact CG-CD1 4.15Å; Y843-L1008 HydrophobicContact CD2-CD1 3.35Å; Y843-L1008 HydrophobicContact CE2-CD1 4.02Å; Y843-L1008 HydrophobicContact CG-CD1 3.89Å
844	I	86.7	Confident	85.5	Confident	5 Å²	5	76 Å²	76	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-62.3	-47.8	177.9	-68.5	161.6	0	0	0	110.4	Y836 T840 E841 K846 N847 K848 Y952	Y836-I844 HydrophobicContact CE2-CD1 4.29Å; T840-I844 HydrophobicContact CG2-CD1 3.46Å; T840-I844 VanDerWaalsContact CG2-CD1 3.46Å; T840-I844 HydrophobicContact CG2-CG1 4.15Å; T840-I844 WeakPolarHBondContact O-CB 3.34Å; T840-I844 WeakPolarHBondContact O-CD1 3.44Å; T840-I844 WeakPolarHBondContact O-CG1 3.32Å; T840-I844 PolarHBondContact O-N 3.35Å; E841-I844 PolarHBondContact O-N 3.27Å; I844-K846 VanDerWaalsContact C-N 3.29Å; I844-K846 PolarHBondContact O-N 2.78Å; I844-N847 PolarHBondContact O-N 3.02Å; I844-K848 WeakPolarHBondContact O-CG 3.22Å; I844-K848 PolarHBondContact O-N 3.38Å; I844-Y952 HydrophobicContact CB-CE1 4.49Å; I844-Y952 HydrophobicContact CB-CE2 4.37Å; I844-Y952 HydrophobicContact CD1-CD1 3.89Å; I844-Y952 HydrophobicContact CD1-CE1 3.2Å; I844-Y952 HydrophobicContact CD1-CE2 4.25Å; I844-Y952 VanDerWaalsContact CD1-CZ 3.42Å; I844-Y952 HydrophobicContact CG1-CD1 4.29Å; I844-Y952 HydrophobicContact CG1-CD2 4.35Å; I844-Y952 HydrophobicContact CG1-CE1 3.68Å; I844-Y952 HydrophobicContact CG1-CE2 3.76Å; I844-Y952 WeakPolarHBondContact CG1-OH 3.36Å; I844-Y952 HydrophobicContact CG2-CD1 3.72Å; I844-Y952 HydrophobicContact CG2-CD2 3.52Å; I844-Y952 HydrophobicContact CG2-CE1 4Å; I844-Y952 HydrophobicContact CG2-CE2 3.82Å; I844-Y952 HydrophobicContact CG2-CG 3.45Å; I844-Y952 VanDerWaalsContact CG2-CG 3.45Å
845	L	84.7	Confident	85.5	Confident	91 Å²	91	73.5 Å²	73.5	48%	0.476	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-36.1	-179.2	-69.1	175.5	0	0	0	111.7	E841 P842	E841-L845 HydrophobicContact CG-CD1 3.95Å; E841-L845 HydrophobicContact CG-CG 4.36Å; E841-L845 WeakPolarHBondContact O-CB 3.45Å; E841-L845 VanDerWaalsContact O-CG 3.29Å; E841-L845 WeakPolarHBondContact O-CG 3.2Å; E841-L845 PolarHBondContact O-N 3.26Å; P842-L845 PolarHBondContact O-N 3.08Å
846	K	81.9	Confident	85.2	Confident	180 Å²	180	73.6 Å²	73.6	78%	0.783	36%	0.357	S	S	*	.	H	α-helix	trans	-74	-38.3	178.1	-174.3	177.2	178.7	-178.9	0	113.1	P842 Y843 I844	P842-K846 VanDerWaalsContact O-CB 3.24Å; P842-K846 WeakPolarHBondContact O-CB 3.36Å; P842-K846 PolarHBondContact O-N 2.79Å; Y843-K846 PolarHBondContact O-N 3.24Å; I844-K846 VanDerWaalsContact C-N 3.29Å; I844-K846 PolarHBondContact O-N 2.78Å
847	N	75.4	Confident	84.9	Confident	89 Å²	89	74 Å²	74	48%	0.476	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	32.8	-173.9	-58.4	-68	0	0	0	112.8	Y843 I844 L849	Y843-N847 WeakPolarHBondContact CD2-ND2 3.29Å; Y843-N847 WeakPolarHBondContact CE2-ND2 3.46Å; Y843-N847 WeakPolarHBondContact O-CB 3.32Å; Y843-N847 PolarHBondContact O-N 3.45Å; Y843-N847 PolarHBondContact O-ND2 3.19Å; I844-N847 PolarHBondContact O-N 3.02Å; N847-L849 PolarHBondContact O-N 2.98Å
848	K	65.5	Low	84.7	Confident	110 Å²	110	67.4 Å²	67.4	48%	0.478	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.8	124.5	-178.5	-84.6	-169.4	174.3	175.5	0	111.3	I844	I844-K848 WeakPolarHBondContact O-CG 3.22Å; I844-K848 PolarHBondContact O-N 3.38Å
849	L	69.2	Low	84.4	Confident	124 Å²	124	62.7 Å²	62.7	65%	0.649	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-59.6	142.1	155.3	-71	166.3	0	0	0	108.8	N847 L851	N847-L849 PolarHBondContact O-N 2.98Å; L849-L851 PolarHBondContact O-N 2.74Å
850	S	77.9	Confident	83.9	Confident	69 Å²	69	63.6 Å²	63.6	48%	0.483	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-59	128.9	173.7	177.8	0	0	0	0	110.2	E852	S850-E852 WeakPolarHBondContact OG-CB 3.48Å; S850-E852 WeakPolarHBondContact OG-CG 3.34Å; S850-E852 PolarHBondContact OG-N 2.77Å
851	L	83.9	Confident	83.3	Confident	17 Å²	17	72.4 Å²	72.4	9%	0.089	38%	0.376	C	S	.	.			trans	-97.5	8.7	174.4	-62.6	176	0	0	0	111.9	L849 W853 V854 Y855 H953	L849-L851 PolarHBondContact O-N 2.74Å; L851-W853 PolarHBondContact O-N 2.72Å; L851-V854 HydrophobicContact CB-CG2 4.48Å; L851-V854 HydrophobicContact CD2-CG2 4.07Å; L851-V854 WeakPolarHBondContact O-CA 3.37Å; L851-V854 VanDerWaalsContact O-CB 3.31Å; L851-V854 WeakPolarHBondContact O-CB 3.13Å; L851-V854 PolarHBondContact O-N 2.92Å; L851-Y855 HydrophobicContact CB-CD2 4.29Å; L851-Y855 HydrophobicContact CB-CE1 4.3Å; L851-Y855 HydrophobicContact CB-CE2 3.66Å; L851-Y855 VanDerWaalsContact CD1-OH 3.31Å; L851-Y855 WeakPolarHBondContact CD1-OH 3.31Å; L851-Y855 WeakPolarHBondContact O-CD2 3.48Å; L851-Y855 PolarHBondContact O-N 3.41Å; L851-H953 HydrophobicContact CD1-CB 4.35Å; L851-H953 HydrophobicContact CD2-CB 4.24Å
852	E	84.2	Confident	82.4	Confident	149 Å²	149	71.6 Å²	71.6	70%	0.696	38%	0.379	S	S	*	.	H	α-helix	trans	-57.7	-38.6	-177.9	-73.8	175.2	164.4	0	0	112.3	S850 V854 Y855 A856	S850-E852 WeakPolarHBondContact OG-CB 3.48Å; S850-E852 WeakPolarHBondContact OG-CG 3.34Å; S850-E852 PolarHBondContact OG-N 2.77Å; E852-V854 VanDerWaalsContact C-N 3.32Å; E852-V854 PolarHBondContact O-N 2.75Å; E852-Y855 PolarHBondContact O-N 3.26Å; E852-A856 WeakPolarHBondContact O-CB 3.33Å; E852-A856 PolarHBondContact O-N 3.11Å
853	W	82.8	Confident	81.5	Confident	122 Å²	122	73.2 Å²	73.2	46%	0.462	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-37.6	175.7	73.1	-91.7	0	0	0	111.8	L851 Y855 A856 L857 Y951	L851-W853 PolarHBondContact O-N 2.72Å; W853-Y855 VanDerWaalsContact C-N 3.34Å; W853-A856 PolarHBondContact O-N 3.5Å; W853-L857 HydrophobicContact CZ3-CD2 4.26Å; W853-L857 VanDerWaalsContact O-CB 3.28Å; W853-L857 WeakPolarHBondContact O-CB 3.31Å; W853-L857 PolarHBondContact O-N 2.83Å; W853-Y951 HydrophobicContact CH2-CD1 4.19Å; W853-Y951 AromaticContact CH2-CE1 3.72Å; W853-Y951 HydrophobicContact CH2-CE1 3.72Å; W853-Y951 HydrophobicContact CH2-CE2 4.14Å; W853-Y951 AromaticContact CH2-CZ 3.69Å; W853-Y951 AromaticContact CZ2-CD1 3.69Å; W853-Y951 HydrophobicContact CZ2-CD1 3.69Å; W853-Y951 HydrophobicContact CZ2-CD2 4.19Å; W853-Y951 AromaticContact CZ2-CE1 3.73Å; W853-Y951 HydrophobicContact CZ2-CE1 3.73Å; W853-Y951 HydrophobicContact CZ2-CE2 4.21Å; W853-Y951 AromaticContact CZ2-CG 3.94Å; W853-Y951 HydrophobicContact CZ2-CG 3.94Å; W853-Y951 AromaticContact CZ2-CZ 3.99Å
854	V	86	Confident	80.9	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-63.6	-44.7	175.6	-177	0	0	0	0	109.5	L851 E852 L857 L858 I899 Y951	L851-V854 HydrophobicContact CB-CG2 4.48Å; L851-V854 HydrophobicContact CD2-CG2 4.07Å; L851-V854 WeakPolarHBondContact O-CA 3.37Å; L851-V854 VanDerWaalsContact O-CB 3.31Å; L851-V854 WeakPolarHBondContact O-CB 3.13Å; L851-V854 PolarHBondContact O-N 2.92Å; E852-V854 VanDerWaalsContact C-N 3.32Å; E852-V854 PolarHBondContact O-N 2.75Å; V854-L857 PolarHBondContact O-N 2.96Å; V854-L858 HydrophobicContact CG1-CD1 3.9Å; V854-L858 HydrophobicContact CG1-CG 4.38Å; V854-L858 WeakPolarHBondContact O-CB 3.48Å; V854-L858 VanDerWaalsContact O-CG 3.27Å; V854-L858 WeakPolarHBondContact O-CG 3.33Å; V854-L858 PolarHBondContact O-N 3.36Å; V854-I899 HydrophobicContact CG1-CG2 3.78Å; V854-Y951 HydrophobicContact CG2-CD2 4.21Å; V854-Y951 HydrophobicContact CG2-CE2 4.34Å
855	Y	89.9	Confident	80.5	Confident	63 Å²	63	80.4 Å²	80.4	25%	0.247	43%	0.425	C	S	.	.	H	α-helix	trans	-72.9	-31.3	-179.3	-55.5	-33	0	0	0	112.8	L851 E852 W853 L858 G859 R903 H953	L851-Y855 HydrophobicContact CB-CD2 4.29Å; L851-Y855 HydrophobicContact CB-CE1 4.3Å; L851-Y855 HydrophobicContact CB-CE2 3.66Å; L851-Y855 VanDerWaalsContact CD1-OH 3.31Å; L851-Y855 WeakPolarHBondContact CD1-OH 3.31Å; L851-Y855 WeakPolarHBondContact O-CD2 3.48Å; L851-Y855 PolarHBondContact O-N 3.41Å; E852-Y855 PolarHBondContact O-N 3.26Å; W853-Y855 VanDerWaalsContact C-N 3.34Å; Y855-L858 HydrophobicContact CD1-CD1 4.38Å; Y855-G859 PolarHBondContact O-N 2.99Å; Y855-R903 HydrophobicContact CE1-CG 3.89Å; Y855-H953 AromaticContact CE1-ND1 3.82Å
856	A	86.8	Confident	80.3	Confident	27 Å²	27	79.3 Å²	79.3	22%	0.223	42%	0.415	C	S	.	.	H	α-helix	trans	-65.9	-43.8	171.1	0	0	0	0	0	111	E852 W853 G859 G860 K861 A862	E852-A856 WeakPolarHBondContact O-CB 3.33Å; E852-A856 PolarHBondContact O-N 3.11Å; W853-A856 PolarHBondContact O-N 3.5Å; A856-G859 CarbonylContact O-C 3.47Å; A856-G859 PolarHBondContact O-N 2.83Å; A856-G860 PolarHBondContact O-N 3.47Å; A856-G860 VanDerWaalsContact O-N 3.1Å; A856-K861 HydrophobicContact CB-CB 4.4Å; A856-K861 PolarHBondContact O-N 2.72Å; A856-A862 HydrophobicContact CB-CB 4.04Å
857	L	86	Confident	80.7	Confident	19 Å²	19	72.5 Å²	72.5	10%	0.099	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-50.8	176	179.9	73.3	0	0	0	111.6	W853 V854 G859 G860 A862 E863 V867 I879 I899	W853-L857 HydrophobicContact CZ3-CD2 4.26Å; W853-L857 VanDerWaalsContact O-CB 3.28Å; W853-L857 WeakPolarHBondContact O-CB 3.31Å; W853-L857 PolarHBondContact O-N 2.83Å; V854-L857 PolarHBondContact O-N 2.96Å; L857-G859 PolarHBondContact O-N 3.46Å; L857-G860 PolarHBondContact O-N 3.22Å; L857-A862 WeakPolarHBondContact CD1-O 3.35Å; L857-E863 HydrophobicContact CD1-CB 3.77Å; L857-V867 HydrophobicContact CD1-CG2 4.18Å; L857-I879 HydrophobicContact CB-CD1 4.41Å; L857-I879 HydrophobicContact CD1-CD1 4.25Å; L857-I879 HydrophobicContact CD2-CD1 3.39Å; L857-I879 HydrophobicContact CG-CD1 3.36Å; L857-I899 HydrophobicContact CD2-CD1 3.78Å
858	L	88.6	Confident	81.4	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.047	37%	0.372	C	S	.	.	H	α-helix	trans	-61.2	-28.1	175.5	-70.3	170.5	0	0	0	112.5	V854 Y855 I879 I899 V900 R901	V854-L858 HydrophobicContact CG1-CD1 3.9Å; V854-L858 HydrophobicContact CG1-CG 4.38Å; V854-L858 WeakPolarHBondContact O-CB 3.48Å; V854-L858 VanDerWaalsContact O-CG 3.27Å; V854-L858 WeakPolarHBondContact O-CG 3.33Å; V854-L858 PolarHBondContact O-N 3.36Å; Y855-L858 HydrophobicContact CD1-CD1 4.38Å; L858-I879 HydrophobicContact CD2-CB 4.5Å; L858-I879 HydrophobicContact CD2-CD1 3.83Å; L858-I879 HydrophobicContact CD2-CG1 3.77Å; L858-I879 HydrophobicContact CD2-CG2 4.08Å; L858-I879 HydrophobicContact CG-CD1 4.4Å; L858-I899 HydrophobicContact CD1-CG2 4.33Å; L858-I899 HydrophobicContact CD2-CB 4.48Å; L858-I899 HydrophobicContact CD2-CG2 4.13Å; L858-I899 HydrophobicContact CG-CG2 4.39Å; L858-V900 WeakPolarHBondContact CD1-O 3.42Å; L858-R901 HydrophobicContact CD2-CG 4.16Å; L858-R901 PolarHBondContact O-NH1 2.98Å; L858-R901 PolarHBondContact O-NH2 2.7Å
859	G	85.7	Confident	82.8	Confident	51 Å²	51	67.3 Å²	67.3	53%	0.526	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	1.5	175	0	0	0	0	0	114.9	Y855 A856 L857 K861	Y855-G859 PolarHBondContact O-N 2.99Å; A856-G859 CarbonylContact O-C 3.47Å; A856-G859 PolarHBondContact O-N 2.83Å; L857-G859 PolarHBondContact O-N 3.46Å; G859-K861 PolarHBondContact O-N 3.4Å
860	G	80.9	Confident	84	Confident	49 Å²	49	64.8 Å²	64.8	51%	0.505	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	15.8	-178.8	0	0	0	0	0	115	A856 L857	A856-G860 PolarHBondContact O-N 3.47Å; A856-G860 VanDerWaalsContact O-N 3.1Å; L857-G860 PolarHBondContact O-N 3.22Å
861	K	80.3	Confident	84.8	Confident	186 Å²	186	62.7 Å²	62.7	81%	0.809	33%	0.332	S	S	*	.	S	Bend	trans	-90	-13.3	-178.1	-63.5	-176.6	-179.5	-178.9	0	113.7	A856 G859	A856-K861 HydrophobicContact CB-CB 4.4Å; A856-K861 PolarHBondContact O-N 2.72Å; G859-K861 PolarHBondContact O-N 3.4Å
862	A	73.6	Confident	85.2	Confident	39 Å²	39	69.1 Å²	69.1	32%	0.322	36%	0.361	S	S	.	.	S	Bend	trans	-145.5	143	-179.8	0	0	0	0	0	110.1	A856 L857 A864	A856-A862 HydrophobicContact CB-CB 4.04Å; L857-A862 WeakPolarHBondContact CD1-O 3.35Å; A862-A864 PolarHBondContact O-N 3.33Å; A862-A864 VanDerWaalsContact O-N 3.09Å
863	E	72	Confident	85.6	Confident	93 Å²	93	65.7 Å²	65.7	44%	0.435	35%	0.347	S	S	.	.	S	Bend	trans	53.2	28.3	175.7	-52	-89.2	153.3	0	0	113.8	L857 E865 R866	L857-E863 HydrophobicContact CD1-CB 3.77Å; E863-E865 WeakPolarHBondContact CA-OE1 3.28Å; E863-E865 PolarHBondContact O-N 3.47Å; E863-R866 PolarHBondContact O-N 2.76Å; E863-R866 VanDerWaalsContact O-N 3.13Å; E863-R866 WeakPolarHBondContact OE2-CD 2.89Å; E863-R866 IonicContact OE2-CZ 3.57Å; E863-R866 IonicContact OE2-NE 3.67Å; E863-R866 IonicContact OE2-NH1 3.22Å; E863-R866 PolarHBondContact OE2-NH1 3.38Å
864	A	76.3	Confident	86	Confident	50 Å²	50	63.4 Å²	63.4	41%	0.413	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-63	-32.7	-175	0	0	0	0	0	111.9	A862 R866 V867	A862-A864 PolarHBondContact O-N 3.33Å; A862-A864 VanDerWaalsContact O-N 3.09Å; A864-R866 PolarHBondContact O-N 2.84Å; A864-V867 PolarHBondContact O-N 2.65Å
865	E	79.3	Confident	86.3	Confident	151 Å²	151	67.1 Å²	67.1	71%	0.706	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.1	-19.8	177.6	69.2	-70.9	166.1	0	0	114	E863	E863-E865 WeakPolarHBondContact CA-OE1 3.28Å; E863-E865 PolarHBondContact O-N 3.47Å
866	R	81.1	Confident	86.6	Confident	69 Å²	69	66.4 Å²	66.4	26%	0.26	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-91.5	-19	178.9	-66.6	176	67.6	-177.6	-0.7	113.2	E863 A864 I868 P882	E863-R866 PolarHBondContact O-N 2.76Å; E863-R866 VanDerWaalsContact O-N 3.13Å; E863-R866 WeakPolarHBondContact OE2-CD 2.89Å; E863-R866 IonicContact OE2-CZ 3.57Å; E863-R866 IonicContact OE2-NE 3.67Å; E863-R866 IonicContact OE2-NH1 3.22Å; E863-R866 PolarHBondContact OE2-NH1 3.38Å; A864-R866 PolarHBondContact O-N 2.84Å; R866-I868 PolarHBondContact O-N 2.91Å; R866-P882 PolarHBondContact NH2-O 3.23Å; R866-P882 WeakPolarHBondContact O-CD 3.36Å
867	V	89	Confident	87	Confident	36 Å²	36	65.1 Å²	65.1	22%	0.218	37%	0.367	C	S	.	.			trans	-66.2	125.2	-179.4	179.5	0	0	0	0	108.8	L857 A864 Y869 N870 I879	L857-V867 HydrophobicContact CD1-CG2 4.18Å; A864-V867 PolarHBondContact O-N 2.65Å; V867-Y869 VanDerWaalsContact CG1-O 3.23Å; V867-Y869 WeakPolarHBondContact CG1-O 3.38Å; V867-N870 HydrophobicContact CG1-CB 4.13Å; V867-I879 HydrophobicContact CG1-CB 4.22Å; V867-I879 HydrophobicContact CG1-CG2 4.48Å
868	I	90.4	Very high	87.6	Confident	28 Å²	28	64.2 Å²	64.2	14%	0.144	36%	0.362	C	S	.	.	S	Bend	trans	-100.4	-22.6	-178.3	63	167.1	0	0	0	113	R866 L880 P882 L896 K933 Y934	R866-I868 PolarHBondContact O-N 2.91Å; I868-L880 HydrophobicContact CD1-CD2 3.62Å; I868-L880 HydrophobicContact CD1-CG 3.79Å; I868-L880 HydrophobicContact CG1-CB 4.04Å; I868-L880 HydrophobicContact CG1-CD2 3.88Å; I868-L880 HydrophobicContact CG1-CG 3.73Å; I868-L880 VanDerWaalsContact CG1-O 3.23Å; I868-L880 WeakPolarHBondContact CG1-O 3.24Å; I868-L880 PolarHBondContact N-O 2.88Å; I868-P882 HydrophobicContact CG2-CG 4.17Å; I868-L896 HydrophobicContact CD1-CD1 3.94Å; I868-L896 HydrophobicContact CD1-CD2 3.7Å; I868-L896 HydrophobicContact CD1-CG 4.44Å; I868-K933 HydrophobicContact CB-CD 4.1Å; I868-K933 HydrophobicContact CG2-CD 4.24Å; I868-Y934 HydrophobicContact CD1-CE2 3.75Å
869	Y	95.1	Very high	87.9	Confident	63 Å²	63	63.9 Å²	63.9	25%	0.247	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	142.1	171.3	-172.7	-104.7	0	0	0	109.7	V867 D871 F878 I879 L880 K925 T929	V867-Y869 VanDerWaalsContact CG1-O 3.23Å; V867-Y869 WeakPolarHBondContact CG1-O 3.38Å; Y869-D871 HydrophobicContact CE1-CB 3.94Å; Y869-F878 AromaticContact CD1-CE2 3.94Å; Y869-F878 HydrophobicContact CD1-CE2 3.94Å; Y869-F878 AromaticContact CD1-CZ 3.98Å; Y869-F878 HydrophobicContact CD1-CZ 3.98Å; Y869-F878 HydrophobicContact CE1-CE2 4.37Å; Y869-F878 AromaticContact CE1-CZ 3.96Å; Y869-F878 HydrophobicContact CE1-CZ 3.96Å; Y869-I879 CarbonylContact O-C 3.54Å; Y869-I879 WeakPolarHBondContact O-CA 3.48Å; Y869-L880 PolarHBondContact N-O 2.69Å; Y869-L880 PolarHBondContact O-N 2.99Å; Y869-K925 HydrophobicContact CD1-CB 4.42Å; Y869-K925 HydrophobicContact CE1-CB 3.7Å; Y869-K925 HydrophobicContact CE1-CD 4.43Å; Y869-K925 HydrophobicContact CE1-CG 4.07Å; Y869-K925 WeakPolarHBondContact OH-CD 3.44Å; Y869-T929 HydrophobicContact CD2-CG2 4.46Å; Y869-T929 WeakPolarHBondContact CD2-OG1 3.19Å; Y869-T929 HydrophobicContact CG-CG2 4.43Å
870	N	94.1	Very high	88.5	Confident	71 Å²	71	61.5 Å²	61.5	38%	0.38	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	109.9	-177.6	179.1	17.9	0	0	0	109	V867 R901	V867-N870 HydrophobicContact CG1-CB 4.13Å; N870-R901 PolarHBondContact OD1-NH2 2.87Å
871	D	95.2	Very high	89	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.134	32%	0.317	C	S	.	.			trans	-98.6	115	171.1	-170.9	-26.3	0	0	0	108.8	Y869 D873 F878 R901 N921	Y869-D871 HydrophobicContact CE1-CB 3.94Å; D871-D873 VanDerWaalsContact C-N 3.33Å; D871-D873 PolarHBondContact O-N 2.9Å; D871-D873 PolarHBondContact OD1-N 3.27Å; D871-D873 VanDerWaalsContact OD1-N 3.12Å; D871-F878 HydrophobicContact CB-CD1 4.18Å; D871-F878 HydrophobicContact CB-CE1 4.08Å; D871-F878 PolarHBondContact N-O 3.29Å; D871-F878 PolarHBondContact O-N 3.07Å; D871-F878 VanDerWaalsContact O-N 3.12Å; D871-R901 VanDerWaalsContact O-CD 3.26Å; D871-R901 WeakPolarHBondContact O-CD 3.43Å; D871-R901 PolarHBondContact O-NE 2.9Å; D871-N921 PolarHBondContact OD2-ND2 2.87Å
872	E	91.5	Very high	89.4	Confident	151 Å²	151	52.1 Å²	52.1	71%	0.706	29%	0.286	S	S	*	.			trans	-81.4	-6.4	-172.1	-62.9	-169.6	166.2	0	0	114.4	A874	E872-A874 PolarHBondContact O-N 3.37Å
873	D	94	Very high	89.6	Confident	77 Å²	77	51.1 Å²	51.1	41%	0.412	28%	0.277	S	S	.	.			trans	-58.5	128.1	-178.9	-174.7	-80.2	0	0	0	111.7	D871 V875 N876 G877 R901	D871-D873 VanDerWaalsContact C-N 3.33Å; D871-D873 PolarHBondContact O-N 2.9Å; D871-D873 PolarHBondContact OD1-N 3.27Å; D871-D873 VanDerWaalsContact OD1-N 3.12Å; D873-V875 PolarHBondContact O-N 3.49Å; D873-V875 WeakPolarHBondContact OD1-CA 3.47Å; D873-V875 PolarHBondContact OD1-N 2.95Å; D873-N876 PolarHBondContact OD1-N 3.21Å; D873-G877 WeakPolarHBondContact O-CA 3.3Å; D873-G877 PolarHBondContact O-N 3.13Å; D873-R901 WeakPolarHBondContact O-CD 3.27Å
874	A	89.8	Confident	89.6	Confident	75 Å²	75	54 Å²	54	62%	0.62	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.9	-172.3	0	0	0	0	0	113.5	E872	E872-A874 PolarHBondContact O-N 3.37Å
875	V	93.3	Very high	89.1	Confident	78 Å²	78	58.1 Å²	58.1	47%	0.473	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-46.8	-172.2	-178.1	0	0	0	0	111.5	D873 R902	D873-V875 PolarHBondContact O-N 3.49Å; D873-V875 WeakPolarHBondContact OD1-CA 3.47Å; D873-V875 PolarHBondContact OD1-N 2.95Å; V875-R902 WeakPolarHBondContact O-CD 3.16Å
876	N	96	Very high	88.9	Confident	47 Å²	47	51.9 Å²	51.9	25%	0.251	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-0.7	-175.6	-62.9	-42.5	0	0	0	113.2	D873 L918 N921	D873-N876 PolarHBondContact OD1-N 3.21Å; N876-L918 HydrophobicContact CB-CB 4.45Å; N876-L918 WeakPolarHBondContact O-CD1 3.24Å; N876-L918 WeakPolarHBondContact OD1-CA 3.44Å; N876-L918 WeakPolarHBondContact OD1-CB 3.34Å; N876-L918 PolarHBondContact OD1-N 2.83Å; N876-N921 PolarHBondContact O-ND2 2.89Å
877	G	95.4	Very high	88.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.			trans	-86.5	165.4	179.7	0	0	0	0	0	113.5	D873 R901	D873-G877 WeakPolarHBondContact O-CA 3.3Å; D873-G877 PolarHBondContact O-N 3.13Å; G877-R901 PolarHBondContact O-N 3Å
878	F	97.5	Very high	87.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	168.2	-171.6	64	-86.2	0	0	0	109.8	Y869 D871 A898 I899 L922 K925 C926	Y869-F878 AromaticContact CD1-CE2 3.94Å; Y869-F878 HydrophobicContact CD1-CE2 3.94Å; Y869-F878 AromaticContact CD1-CZ 3.98Å; Y869-F878 HydrophobicContact CD1-CZ 3.98Å; Y869-F878 HydrophobicContact CE1-CE2 4.37Å; Y869-F878 AromaticContact CE1-CZ 3.96Å; Y869-F878 HydrophobicContact CE1-CZ 3.96Å; D871-F878 HydrophobicContact CB-CD1 4.18Å; D871-F878 HydrophobicContact CB-CE1 4.08Å; D871-F878 PolarHBondContact N-O 3.29Å; D871-F878 PolarHBondContact O-N 3.07Å; D871-F878 VanDerWaalsContact O-N 3.12Å; F878-A898 HydrophobicContact CD2-CB 4.09Å; F878-I899 CarbonylContact C-O 3.5Å; F878-I899 WeakPolarHBondContact CA-O 3.43Å; F878-I899 VanDerWaalsContact CB-O 3.27Å; F878-I899 WeakPolarHBondContact CB-O 3.42Å; F878-L922 HydrophobicContact CD1-CB 4.14Å; F878-L922 HydrophobicContact CD1-CG 4.29Å; F878-L922 HydrophobicContact CD2-CG 4.44Å; F878-L922 VanDerWaalsContact CE1-CA 3.5Å; F878-L922 HydrophobicContact CE1-CB 4.1Å; F878-L922 HydrophobicContact CE1-CG 4.42Å; F878-L922 HydrophobicContact CG-CD1 4.3Å; F878-L922 HydrophobicContact CG-CG 4.33Å; F878-K925 HydrophobicContact CE1-CB 4.21Å; F878-K925 HydrophobicContact CZ-CB 3.66Å; F878-K925 HydrophobicContact CZ-CG 4.45Å; F878-C926 WeakPolarHBondContact CE2-SG 3.48Å
879	I	96.1	Very high	87	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.3	168.1	60.7	174.5	0	0	0	109.7	L857 L858 V867 Y869 A898 I899	L857-I879 HydrophobicContact CB-CD1 4.41Å; L857-I879 HydrophobicContact CD1-CD1 4.25Å; L857-I879 HydrophobicContact CD2-CD1 3.39Å; L857-I879 HydrophobicContact CG-CD1 3.36Å; L858-I879 HydrophobicContact CD2-CB 4.5Å; L858-I879 HydrophobicContact CD2-CD1 3.83Å; L858-I879 HydrophobicContact CD2-CG1 3.77Å; L858-I879 HydrophobicContact CD2-CG2 4.08Å; L858-I879 HydrophobicContact CG-CD1 4.4Å; V867-I879 HydrophobicContact CG1-CB 4.22Å; V867-I879 HydrophobicContact CG1-CG2 4.48Å; Y869-I879 CarbonylContact O-C 3.54Å; Y869-I879 WeakPolarHBondContact O-CA 3.48Å; I879-A898 CarbonylContact O-C 3.57Å; I879-A898 WeakPolarHBondContact O-CA 3.36Å; I879-I899 HydrophobicContact CD1-CB 4.3Å; I879-I899 HydrophobicContact CD1-CD1 4.46Å; I879-I899 HydrophobicContact CG1-CB 3.88Å; I879-I899 PolarHBondContact N-O 3.33Å; I879-I899 PolarHBondContact O-N 2.85Å
880	L	96.6	Very high	86.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126	171.3	-176.1	65.8	0	0	0	108.8	I868 Y869 L896 A898 C926 T929 I930 F958	I868-L880 HydrophobicContact CD1-CD2 3.62Å; I868-L880 HydrophobicContact CD1-CG 3.79Å; I868-L880 HydrophobicContact CG1-CB 4.04Å; I868-L880 HydrophobicContact CG1-CD2 3.88Å; I868-L880 HydrophobicContact CG1-CG 3.73Å; I868-L880 VanDerWaalsContact CG1-O 3.23Å; I868-L880 WeakPolarHBondContact CG1-O 3.24Å; I868-L880 PolarHBondContact N-O 2.88Å; Y869-L880 PolarHBondContact N-O 2.69Å; Y869-L880 PolarHBondContact O-N 2.99Å; L880-L896 HydrophobicContact CD1-CB 3.99Å; L880-A898 HydrophobicContact CD1-CB 4.05Å; L880-C926 HydrophobicContact CD2-CB 4.25Å; L880-T929 HydrophobicContact CD2-CG2 4.34Å; L880-I930 HydrophobicContact CD2-CD1 4.28Å; L880-I930 HydrophobicContact CD2-CG1 4.07Å; L880-F958 HydrophobicContact CD1-CD2 4.18Å
881	A	92	Very high	85.6	Confident	14 Å²	14	60.7 Å²	60.7	12%	0.116	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.5	180	0	0	0	0	0	112.3	L896 T897	A881-L896 WeakPolarHBondContact O-CA 3.46Å; A881-T897 PolarHBondContact N-O 3.36Å; A881-T897 PolarHBondContact O-N 3.2Å
882	P	88.2	Confident	84.9	Confident	24 Å²	24	63.6 Å²	63.6	16%	0.156	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	136.9	172.6	-19.7	33	0	0	0	112.4	R866 I868 W886 L896	R866-P882 PolarHBondContact NH2-O 3.23Å; R866-P882 WeakPolarHBondContact O-CD 3.36Å; I868-P882 HydrophobicContact CG2-CG 4.17Å; P882-W886 HydrophobicContact CB-CE3 4.05Å; P882-L896 HydrophobicContact CB-CD2 3.95Å; P882-L896 HydrophobicContact CG-CD2 3.79Å
883	S	78.9	Confident	84.4	Confident	19 Å²	19	58.7 Å²	58.7	13%	0.133	32%	0.315	C	S	.	.			trans	-62.9	153.7	168.1	174.7	0	0	0	0	110.9	R885 W886 D895	S883-R885 PolarHBondContact O-N 2.86Å; S883-R885 VanDerWaalsContact O-N 3.11Å; S883-R885 PolarHBondContact OG-N 2.74Å; S883-W886 PolarHBondContact O-N 3.49Å; S883-D895 VanDerWaalsContact CB-CG 3.43Å; S883-D895 VanDerWaalsContact CB-O 3.28Å; S883-D895 WeakPolarHBondContact CB-O 3.07Å; S883-D895 WeakPolarHBondContact CB-OD2 3.48Å; S883-D895 PolarHBondContact N-O 3.27Å; S883-D895 PolarHBondContact OG-OD2 2.58Å
884	L	71.4	Confident	84.2	Confident	153 Å²	153	55 Å²	55	80%	0.801	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.4	171.6	-73.3	169.1	0	0	0	113.2
885	R	66.4	Low	84.2	Confident	136 Å²	136	51.5 Å²	51.5	51%	0.513	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.7	178.8	-67	-171.8	-67.7	-110.3	1.9	113.6	S883 D895	S883-R885 PolarHBondContact O-N 2.86Å; S883-R885 VanDerWaalsContact O-N 3.11Å; S883-R885 PolarHBondContact OG-N 2.74Å; R885-D895 IonicContact CZ-OD2 2.84Å; R885-D895 IonicContact NE-OD2 3.03Å; R885-D895 PolarHBondContact NE-OD2 2.89Å; R885-D895 IonicContact NH2-OD1 3.15Å; R885-D895 IonicContact NH2-OD2 3.82Å; R885-D895 PolarHBondContact NH2-OD2 3.4Å
886	W	74.8	Confident	84.2	Confident	20 Å²	20	47.8 Å²	47.8	8%	0.076	24%	0.244	C	C	.	.			trans	-109.1	133.5	-174.6	-177	39.4	0	0	0	111.4	P882 S883 G888 R890 Q893 M894 D895 L896 Y934	P882-W886 HydrophobicContact CB-CE3 4.05Å; S883-W886 PolarHBondContact O-N 3.49Å; W886-G888 VanDerWaalsContact CE2-CA 3.48Å; W886-G888 PolarHBondContact O-N 3.27Å; W886-R890 PolarHBondContact NE1-O 3.34Å; W886-Q893 VanDerWaalsContact CD1-C 3.45Å; W886-Q893 VanDerWaalsContact CG-O 3.31Å; W886-M894 HydrophobicContact CD2-CB 4.39Å; W886-M894 HydrophobicContact CD2-CG 4.44Å; W886-M894 HydrophobicContact CE3-CG 4.13Å; W886-M894 HydrophobicContact CH2-CB 4.15Å; W886-M894 HydrophobicContact CH2-CG 3.66Å; W886-M894 HydrophobicContact CH2-SD 4.49Å; W886-M894 HydrophobicContact CZ2-CB 3.94Å; W886-M894 HydrophobicContact CZ2-CG 3.99Å; W886-M894 HydrophobicContact CZ3-CB 4.47Å; W886-M894 HydrophobicContact CZ3-CG 3.75Å; W886-D895 HydrophobicContact CB-CB 4.32Å; W886-L896 HydrophobicContact CE3-CD2 4.06Å; W886-L896 HydrophobicContact CZ3-CD2 3.68Å; W886-L896 HydrophobicContact CZ3-CG 4.14Å; W886-Y934 AromaticContact CH2-CD1 3.74Å; W886-Y934 HydrophobicContact CH2-CD1 3.74Å; W886-Y934 HydrophobicContact CH2-CD2 4.26Å; W886-Y934 AromaticContact CH2-CE1 3.47Å; W886-Y934 HydrophobicContact CH2-CE1 3.47Å; W886-Y934 VanDerWaalsContact CH2-CE1 3.47Å; W886-Y934 HydrophobicContact CH2-CE2 4.03Å; W886-Y934 HydrophobicContact CH2-CG 4.11Å; W886-Y934 AromaticContact CH2-CZ 3.62Å; W886-Y934 HydrophobicContact CZ2-CD1 4.48Å; W886-Y934 HydrophobicContact CZ2-CE1 4.41Å; W886-Y934 HydrophobicContact CZ3-CE1 4.12Å; W886-Y934 HydrophobicContact CZ3-CE2 4.14Å; W886-Y934 AromaticContact CZ3-CZ 3.81Å
887	D	70.4	Confident	84.2	Confident	86 Å²	86	46.3 Å²	46.3	46%	0.46	24%	0.237	S	C	.	.			trans	-74.9	-8.1	177.3	59.9	15.7	0	0	0	113.4	V889 R890	D887-V889 PolarHBondContact O-N 2.98Å; D887-V889 PolarHBondContact OD1-N 3.03Å; D887-R890 PolarHBondContact OD1-N 2.96Å; D887-R890 VanDerWaalsContact OD1-N 3.11Å; D887-R890 IonicContact OD2-NE 3.35Å
888	G	73.7	Confident	84.2	Confident	39 Å²	39	46.3 Å²	46.3	40%	0.402	24%	0.237	S	C	.	.	S	Bend	trans	76.8	3.5	-177.6	0	0	0	0	0	114.1	W886	W886-G888 VanDerWaalsContact CE2-CA 3.48Å; W886-G888 PolarHBondContact O-N 3.27Å
889	V	77.3	Confident	84.2	Confident	121 Å²	121	46.7 Å²	46.7	73%	0.733	24%	0.239	S	C	*	.	S	Bend	trans	-109.8	-54.6	-172.9	-177	0	0	0	0	110.9	D887 K891	D887-V889 PolarHBondContact O-N 2.98Å; D887-V889 PolarHBondContact OD1-N 3.03Å; V889-K891 PolarHBondContact O-N 2.87Å
890	R	77.8	Confident	84.2	Confident	109 Å²	109	46.6 Å²	46.6	41%	0.411	24%	0.238	S	C	.	.			trans	-86.9	112.9	-174.4	-67.1	-173.5	-67	-179.2	-1.2	110.7	W886 D887 E892 Q893	W886-R890 PolarHBondContact NE1-O 3.34Å; D887-R890 PolarHBondContact OD1-N 2.96Å; D887-R890 VanDerWaalsContact OD1-N 3.11Å; D887-R890 IonicContact OD2-NE 3.35Å; R890-E892 PolarHBondContact O-N 2.78Å; R890-Q893 HydrophobicContact CB-CG 4.43Å; R890-Q893 VanDerWaalsContact CZ-OE1 3.29Å; R890-Q893 VanDerWaalsContact NH2-NE2 3.1Å; R890-Q893 PolarHBondContact O-N 3.35Å
891	K	80.6	Confident	84.1	Confident	98 Å²	98	49.1 Å²	49.1	43%	0.426	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-57.5	-31.9	-179.5	70.8	175.1	-173.3	174.4	0	112.7	V889 Q893 M894 Y960	V889-K891 PolarHBondContact O-N 2.87Å; K891-Q893 PolarHBondContact O-N 3.3Å; K891-M894 WeakPolarHBondContact O-CB 3.34Å; K891-M894 PolarHBondContact O-N 3Å; K891-M894 VanDerWaalsContact O-N 3.08Å; K891-Y960 WeakPolarHBondContact O-CB 3.35Å
892	E	81	Confident	84.2	Confident	85 Å²	85	50.6 Å²	50.6	40%	0.397	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-65.4	-19.8	-179.1	-63	74	-160.3	0	0	112.5	R890 E963	R890-E892 PolarHBondContact O-N 2.78Å; E892-E963 WeakPolarHBondContact O-CB 3.3Å
893	Q	81	Confident	84.4	Confident	48 Å²	48	57 Å²	57	22%	0.224	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-106.2	11.8	178	-59.6	-166.6	-33.7	0	0	113.1	W886 R890 K891 D895 E963	W886-Q893 VanDerWaalsContact CD1-C 3.45Å; W886-Q893 VanDerWaalsContact CG-O 3.31Å; R890-Q893 HydrophobicContact CB-CG 4.43Å; R890-Q893 VanDerWaalsContact CZ-OE1 3.29Å; R890-Q893 VanDerWaalsContact NH2-NE2 3.1Å; R890-Q893 PolarHBondContact O-N 3.35Å; K891-Q893 PolarHBondContact O-N 3.3Å; Q893-D895 PolarHBondContact O-N 3.06Å; Q893-E963 WeakPolarHBondContact CA-OE2 3.28Å
894	M	89.3	Confident	85	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.286	C	S	.	.			trans	-58.5	123.6	-176.9	-177.5	-172.4	78.7	0	0	111	W886 K891 L896 I930 Y934 V936 M941 T959 Y960	W886-M894 HydrophobicContact CD2-CB 4.39Å; W886-M894 HydrophobicContact CD2-CG 4.44Å; W886-M894 HydrophobicContact CE3-CG 4.13Å; W886-M894 HydrophobicContact CH2-CB 4.15Å; W886-M894 HydrophobicContact CH2-CG 3.66Å; W886-M894 HydrophobicContact CH2-SD 4.49Å; W886-M894 HydrophobicContact CZ2-CB 3.94Å; W886-M894 HydrophobicContact CZ2-CG 3.99Å; W886-M894 HydrophobicContact CZ3-CB 4.47Å; W886-M894 HydrophobicContact CZ3-CG 3.75Å; K891-M894 WeakPolarHBondContact O-CB 3.34Å; K891-M894 PolarHBondContact O-N 3Å; K891-M894 VanDerWaalsContact O-N 3.08Å; M894-L896 HydrophobicContact CG-CD1 4.16Å; M894-L896 HydrophobicContact CG-CG 4.17Å; M894-L896 HydrophobicContact SD-CD1 4.02Å; M894-I930 HydrophobicContact CE-CG2 3.96Å; M894-I930 HydrophobicContact SD-CG2 3.84Å; M894-Y934 HydrophobicContact SD-CD2 4.28Å; M894-V936 HydrophobicContact CE-CG1 4.12Å; M894-V936 HydrophobicContact SD-CG2 4.22Å; M894-M941 HydrophobicContact CE-CG 3.96Å; M894-M941 HydrophobicContact CE-SD 3.85Å; M894-T959 VanDerWaalsContact O-CA 3.25Å; M894-T959 WeakPolarHBondContact O-CA 3.34Å; M894-Y960 PolarHBondContact O-N 3.31Å; M894-Y960 VanDerWaalsContact O-N 3.11Å
895	D	90.1	Very high	86.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	106.5	177.2	-179.3	14.2	0	0	0	109.5	S883 R885 W886 Q893 T959	S883-D895 VanDerWaalsContact CB-CG 3.43Å; S883-D895 VanDerWaalsContact CB-O 3.28Å; S883-D895 WeakPolarHBondContact CB-O 3.07Å; S883-D895 WeakPolarHBondContact CB-OD2 3.48Å; S883-D895 PolarHBondContact N-O 3.27Å; S883-D895 PolarHBondContact OG-OD2 2.58Å; R885-D895 IonicContact CZ-OD2 2.84Å; R885-D895 IonicContact NE-OD2 3.03Å; R885-D895 PolarHBondContact NE-OD2 2.89Å; R885-D895 IonicContact NH2-OD1 3.15Å; R885-D895 IonicContact NH2-OD2 3.82Å; R885-D895 PolarHBondContact NH2-OD2 3.4Å; W886-D895 HydrophobicContact CB-CB 4.32Å; Q893-D895 PolarHBondContact O-N 3.06Å; D895-T959 HydrophobicContact CB-CG2 4.31Å
896	L	94	Very high	87.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.1	-178.8	-61.6	166.8	0	0	0	109.4	I868 L880 A881 P882 W886 M894 I930 Y934 H957 F958	I868-L896 HydrophobicContact CD1-CD1 3.94Å; I868-L896 HydrophobicContact CD1-CD2 3.7Å; I868-L896 HydrophobicContact CD1-CG 4.44Å; L880-L896 HydrophobicContact CD1-CB 3.99Å; A881-L896 WeakPolarHBondContact O-CA 3.46Å; P882-L896 HydrophobicContact CB-CD2 3.95Å; P882-L896 HydrophobicContact CG-CD2 3.79Å; W886-L896 HydrophobicContact CE3-CD2 4.06Å; W886-L896 HydrophobicContact CZ3-CD2 3.68Å; W886-L896 HydrophobicContact CZ3-CG 4.14Å; M894-L896 HydrophobicContact CG-CD1 4.16Å; M894-L896 HydrophobicContact CG-CG 4.17Å; M894-L896 HydrophobicContact SD-CD1 4.02Å; L896-I930 HydrophobicContact CD1-CD1 3.63Å; L896-I930 HydrophobicContact CD1-CG1 3.53Å; L896-Y934 HydrophobicContact CD1-CD2 4.34Å; L896-Y934 HydrophobicContact CD1-CE2 4.04Å; L896-Y934 HydrophobicContact CD2-CE2 4.43Å; L896-H957 WeakPolarHBondContact O-CA 3.49Å; L896-F958 HydrophobicContact CB-CB 4.16Å; L896-F958 PolarHBondContact N-O 3.4Å; L896-F958 PolarHBondContact O-N 3.07Å
897	T	94.8	Very high	88.4	Confident	16 Å²	16	46.9 Å²	46.9	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.4	177.5	-54.7	0	0	0	0	109.9	A881 I899 H955 V956 H957	A881-T897 PolarHBondContact N-O 3.36Å; A881-T897 PolarHBondContact O-N 3.2Å; T897-I899 HydrophobicContact CG2-CG1 4.1Å; T897-H955 HydrophobicContact CG2-CB 3.98Å; T897-V956 CarbonylContact C-O 3.52Å; T897-V956 WeakPolarHBondContact CA-O 3.41Å; T897-H957 PolarHBondContact OG1-CE1 2.88Å; T897-H957 PolarHBondContact OG1-ND1 3.25Å
898	A	97	Very high	89.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.8	170	0	0	0	0	0	110	F878 I879 L880 L922 H955 V956 F958	F878-A898 HydrophobicContact CD2-CB 4.09Å; I879-A898 CarbonylContact O-C 3.57Å; I879-A898 WeakPolarHBondContact O-CA 3.36Å; L880-A898 HydrophobicContact CD1-CB 4.05Å; A898-L922 HydrophobicContact CB-CD1 3.99Å; A898-L922 HydrophobicContact CB-CD2 4.31Å; A898-L922 HydrophobicContact CB-CG 4.17Å; A898-H955 CarbonylContact O-C 3.55Å; A898-H955 WeakPolarHBondContact O-CA 3.33Å; A898-H955 VanDerWaalsContact O-CB 3.23Å; A898-H955 WeakPolarHBondContact O-CB 3.31Å; A898-V956 HydrophobicContact CB-CB 4.32Å; A898-V956 PolarHBondContact N-O 2.65Å; A898-V956 PolarHBondContact O-N 2.88Å; A898-F958 HydrophobicContact CB-CD2 4.4Å; A898-F958 HydrophobicContact CB-CE2 3.8Å
899	I	96	Very high	90.6	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.7	-179.3	-57.5	176	0	0	0	108.4	V854 L857 L858 F878 I879 T897 H955	V854-I899 HydrophobicContact CG1-CG2 3.78Å; L857-I899 HydrophobicContact CD2-CD1 3.78Å; L858-I899 HydrophobicContact CD1-CG2 4.33Å; L858-I899 HydrophobicContact CD2-CB 4.48Å; L858-I899 HydrophobicContact CD2-CG2 4.13Å; L858-I899 HydrophobicContact CG-CG2 4.39Å; F878-I899 CarbonylContact C-O 3.5Å; F878-I899 WeakPolarHBondContact CA-O 3.43Å; F878-I899 VanDerWaalsContact CB-O 3.27Å; F878-I899 WeakPolarHBondContact CB-O 3.42Å; I879-I899 HydrophobicContact CD1-CB 4.3Å; I879-I899 HydrophobicContact CD1-CD1 4.46Å; I879-I899 HydrophobicContact CG1-CB 3.88Å; I879-I899 PolarHBondContact N-O 3.33Å; I879-I899 PolarHBondContact O-N 2.85Å; T897-I899 HydrophobicContact CG2-CG1 4.1Å; I899-H955 HydrophobicContact CG1-CB 4.15Å
900	V	97.4	Very high	91.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	153.8	-175.4	-52.2	0	0	0	0	111.8	L858 R902 L918 L922 H953 L954	L858-V900 WeakPolarHBondContact CD1-O 3.42Å; V900-R902 HydrophobicContact CG2-CG 4.08Å; V900-L918 HydrophobicContact CB-CD1 4.4Å; V900-L918 HydrophobicContact CG1-CD1 4.07Å; V900-L918 HydrophobicContact CG1-CD2 4.19Å; V900-L922 HydrophobicContact CG1-CD1 4.12Å; V900-H953 PolarHBondContact O-NE2 3.46Å; V900-L954 HydrophobicContact CG1-CD2 4.23Å; V900-L954 HydrophobicContact CG2-CB 3.92Å; V900-L954 HydrophobicContact CG2-CD2 4.49Å; V900-L954 WeakPolarHBondContact CG2-O 3.24Å; V900-L954 PolarHBondContact N-O 3Å
901	R	94.6	Very high	92.5	Very high	53 Å²	53	31.4 Å²	31.4	20%	0.2	14%	0.139	C	C	.	.	S	Bend	trans	-78.3	-40.9	179.3	-76.5	-174.5	170.6	-75.2	-3.8	113.7	L858 N870 D871 D873 G877	L858-R901 HydrophobicContact CD2-CG 4.16Å; L858-R901 PolarHBondContact O-NH1 2.98Å; L858-R901 PolarHBondContact O-NH2 2.7Å; N870-R901 PolarHBondContact OD1-NH2 2.87Å; D871-R901 VanDerWaalsContact O-CD 3.26Å; D871-R901 WeakPolarHBondContact O-CD 3.43Å; D871-R901 PolarHBondContact O-NE 2.9Å; D873-R901 WeakPolarHBondContact O-CD 3.27Å; G877-R901 PolarHBondContact O-N 3Å
902	R	94.6	Very high	93.3	Very high	45 Å²	45	30.2 Å²	30.2	17%	0.17	13%	0.131	C	C	.	.			trans	-60.9	143.6	179.6	73.2	-173.8	-65.6	167.4	-8	110.8	V875 V900 D904 L905 H915 H953	V875-R902 WeakPolarHBondContact O-CD 3.16Å; V900-R902 HydrophobicContact CG2-CG 4.08Å; R902-D904 WeakPolarHBondContact CB-OD1 3.44Å; R902-D904 WeakPolarHBondContact CG-OD1 3.27Å; R902-D904 IonicContact CZ-OD1 3.49Å; R902-D904 IonicContact CZ-OD2 3.27Å; R902-D904 IonicContact NE-OD1 2.68Å; R902-D904 PolarHBondContact NE-OD1 3.21Å; R902-D904 IonicContact NE-OD2 3.93Å; R902-D904 PolarHBondContact NE-OD2 2.67Å; R902-D904 IonicContact NH2-OD1 3.38Å; R902-D904 IonicContact NH2-OD2 2.81Å; R902-D904 PolarHBondContact NH2-OD2 3.36Å; R902-L905 HydrophobicContact CG-CD1 4.05Å; R902-L905 HydrophobicContact CG-CG 4.16Å; R902-H915 PolarHBondContact NH1-CD2 3.38Å; R902-H915 PolarHBondContact NH2-NE2 3.46Å; R902-H915 VanDerWaalsContact NH2-NE2 3.15Å; R902-H953 PolarHBondContact O-CE1 3.28Å
903	R	91.7	Very high	94	Very high	159 Å²	159	28.1 Å²	28.1	60%	0.6	13%	0.129	S	C	*	.	S	Bend	trans	-107.8	-3.4	-168.6	-58.7	-175.3	-177.9	-172.8	-0.1	113.9	Y855	Y855-R903 HydrophobicContact CE1-CG 3.89Å
904	D	91.9	Very high	94.8	Very high	81 Å²	81	31.1 Å²	31.1	43%	0.433	15%	0.146	S	C	.	.	S	Bend	trans	-82.3	-19.7	-178.8	59.5	-47.9	0	0	0	113	R902 K906	R902-D904 WeakPolarHBondContact CB-OD1 3.44Å; R902-D904 WeakPolarHBondContact CG-OD1 3.27Å; R902-D904 IonicContact CZ-OD1 3.49Å; R902-D904 IonicContact CZ-OD2 3.27Å; R902-D904 IonicContact NE-OD1 2.68Å; R902-D904 PolarHBondContact NE-OD1 3.21Å; R902-D904 IonicContact NE-OD2 3.93Å; R902-D904 PolarHBondContact NE-OD2 2.67Å; R902-D904 IonicContact NH2-OD1 3.38Å; R902-D904 IonicContact NH2-OD2 2.81Å; R902-D904 PolarHBondContact NH2-OD2 3.36Å; D904-K906 PolarHBondContact O-NZ 2.95Å
905	L	94.8	Very high	95.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	15%	0.149	C	C	.	.			trans	-93.3	112.9	178.1	-57.8	-177.1	0	0	0	111.9	R902 D910 L911 L918 L954	R902-L905 HydrophobicContact CG-CD1 4.05Å; R902-L905 HydrophobicContact CG-CG 4.16Å; L905-D910 HydrophobicContact CD2-CB 3.67Å; L905-L911 HydrophobicContact CD1-CD2 4.03Å; L905-L918 HydrophobicContact CD1-CD2 3.84Å; L905-L954 HydrophobicContact CB-CB 3.78Å; L905-L954 HydrophobicContact CB-CD2 4.06Å; L905-L954 HydrophobicContact CD1-CD2 3.65Å; L905-L954 PolarHBondContact O-N 2.8Å
906	K	92.8	Very high	95.6	Very high	29 Å²	29	32.6 Å²	32.6	13%	0.126	15%	0.154	C	C	.	.			trans	-90.7	-40.3	179.6	-61.4	166.8	-68.4	-45.7	0	111.1	D904 D910 Y952 H953	D904-K906 PolarHBondContact O-NZ 2.95Å; K906-D910 WeakPolarHBondContact CA-OD2 3.5Å; K906-D910 WeakPolarHBondContact CB-OD2 3.45Å; K906-D910 WeakPolarHBondContact CE-OD2 3.29Å; K906-D910 PolarHBondContact N-OD2 3.13Å; K906-D910 IonicContact NZ-OD1 2.74Å; K906-D910 PolarHBondContact NZ-OD1 3.42Å; K906-D910 IonicContact NZ-OD2 3.14Å; K906-D910 PolarHBondContact NZ-OD2 3.23Å; K906-Y952 HydrophobicContact CB-CD1 4.29Å; K906-Y952 CarbonylContact O-C 3.47Å; K906-H953 PolarHBondContact O-N 3.49Å
907	S	95.1	Very high	95.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	17%	0.174	C	C	.	.	S	Bend	trans	-160.1	-177.4	-178.1	73.6	0	0	0	0	111.4	R909 D910 Y947	S907-R909 PolarHBondContact O-N 2.98Å; S907-R909 VanDerWaalsContact O-N 3.11Å; S907-R909 WeakPolarHBondContact OG-CB 3.26Å; S907-R909 PolarHBondContact OG-N 3.27Å; S907-D910 PolarHBondContact N-OD2 3.28Å; S907-D910 PolarHBondContact O-N 3.09Å; S907-Y947 WeakPolarHBondContact OG-CE2 3.23Å
908	I	96.2	Very high	95.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-59.6	-19.2	174.8	60.9	174.8	0	0	0	113.9	D910 L911 F945 Y947 L954 H974 Y990 M995	I908-D910 PolarHBondContact O-N 3.29Å; I908-L911 HydrophobicContact CB-CD1 4.08Å; I908-L911 HydrophobicContact CG2-CD1 3.89Å; I908-L911 WeakPolarHBondContact O-CB 3.39Å; I908-L911 PolarHBondContact O-N 2.97Å; I908-F945 HydrophobicContact CG2-CB 3.45Å; I908-F945 VanDerWaalsContact CG2-CB 3.45Å; I908-F945 HydrophobicContact CG2-CD1 3.48Å; I908-F945 VanDerWaalsContact CG2-CD1 3.48Å; I908-F945 HydrophobicContact CG2-CD2 4.07Å; I908-F945 HydrophobicContact CG2-CE1 4.17Å; I908-F945 HydrophobicContact CG2-CG 3.41Å; I908-F945 VanDerWaalsContact CG2-CG 3.41Å; I908-Y947 HydrophobicContact CD1-CD2 4.29Å; I908-Y947 HydrophobicContact CD1-CG 4.28Å; I908-Y947 HydrophobicContact CG1-CD2 3.68Å; I908-Y947 HydrophobicContact CG1-CE2 4.44Å; I908-Y947 HydrophobicContact CG1-CG 4.17Å; I908-L954 HydrophobicContact CG2-CD1 4.39Å; I908-H974 HydrophobicContact CD1-CB 3.98Å; I908-H974 VanDerWaalsContact CD1-CD2 3.45Å; I908-H974 WeakPolarHBondContact CD1-CD2 3.19Å; I908-Y990 HydrophobicContact CD1-CD1 4.21Å; I908-Y990 HydrophobicContact CD1-CE1 4.08Å; I908-Y990 HydrophobicContact CG1-CD1 4.47Å; I908-Y990 WeakPolarHBondContact O-CB 3.12Å; I908-M995 HydrophobicContact CD1-CE 3.51Å; I908-M995 HydrophobicContact CG1-CE 4.04Å
909	R	95.3	Very high	96	Very high	5 Å²	5	35 Å²	35	2%	0.019	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.6	-29.2	174.2	-176.4	69.2	79.6	178.1	15.4	112.7	E831 Y836 S907 R912 Y947 Y990 R993 M995	E831-R909 PolarHBondContact O-NH2 2.87Å; E831-R909 IonicContact OE1-CZ 2.78Å; E831-R909 IonicContact OE1-NE 3.1Å; E831-R909 IonicContact OE1-NH2 3.52Å; E831-R909 PolarHBondContact OE1-NH2 2.98Å; Y836-R909 HydrophobicContact CD1-CG 3.9Å; Y836-R909 HydrophobicContact CD2-CG 4.01Å; Y836-R909 HydrophobicContact CE1-CG 3.67Å; Y836-R909 HydrophobicContact CE2-CB 4.37Å; Y836-R909 HydrophobicContact CE2-CG 3.79Å; Y836-R909 HydrophobicContact CG-CG 4.06Å; S907-R909 PolarHBondContact O-N 2.98Å; S907-R909 VanDerWaalsContact O-N 3.11Å; S907-R909 WeakPolarHBondContact OG-CB 3.26Å; S907-R909 PolarHBondContact OG-N 3.27Å; R909-R912 PolarHBondContact O-NH1 2.84Å; R909-Y947 HydrophobicContact CB-CE2 3.81Å; R909-Y947 PolarHBondContact NE-OH 3.1Å; R909-Y947 PolarHBondContact NH2-OH 3.31Å; R909-Y990 VanDerWaalsContact CD-O 3.24Å; R909-Y990 WeakPolarHBondContact CD-O 3.31Å; R909-Y990 PolarHBondContact NH1-O 2.7Å; R909-R993 PolarHBondContact NH1-O 3.44Å; R909-M995 VanDerWaalsContact NH1-CG 3.3Å
910	D	96.3	Very high	96.1	Very high	24 Å²	24	39.6 Å²	39.6	13%	0.128	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-85.2	-14.6	178.4	-63.6	-46.3	0	0	0	112.9	L905 K906 S907 I908 R912	L905-D910 HydrophobicContact CD2-CB 3.67Å; K906-D910 WeakPolarHBondContact CA-OD2 3.5Å; K906-D910 WeakPolarHBondContact CB-OD2 3.45Å; K906-D910 WeakPolarHBondContact CE-OD2 3.29Å; K906-D910 PolarHBondContact N-OD2 3.13Å; K906-D910 IonicContact NZ-OD1 2.74Å; K906-D910 PolarHBondContact NZ-OD1 3.42Å; K906-D910 IonicContact NZ-OD2 3.14Å; K906-D910 PolarHBondContact NZ-OD2 3.23Å; S907-D910 PolarHBondContact N-OD2 3.28Å; S907-D910 PolarHBondContact O-N 3.09Å; I908-D910 PolarHBondContact O-N 3.29Å; D910-R912 VanDerWaalsContact C-NH1 3.27Å; D910-R912 PolarHBondContact O-NH1 3.24Å
911	L	98	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.			trans	-67	140.3	-177.8	-68.7	174.5	0	0	0	111.5	L905 I908 H915 L919 F945 L954 V979 L983	L905-L911 HydrophobicContact CD1-CD2 4.03Å; I908-L911 HydrophobicContact CB-CD1 4.08Å; I908-L911 HydrophobicContact CG2-CD1 3.89Å; I908-L911 WeakPolarHBondContact O-CB 3.39Å; I908-L911 PolarHBondContact O-N 2.97Å; L911-H915 HydrophobicContact CD2-CB 3.84Å; L911-L919 HydrophobicContact CD1-CD1 4.41Å; L911-F945 HydrophobicContact CD1-CE1 4.33Å; L911-F945 HydrophobicContact CD1-CZ 4.4Å; L911-L954 HydrophobicContact CD2-CD2 3.79Å; L911-L954 HydrophobicContact CG-CD2 4.44Å; L911-V979 HydrophobicContact CD1-CG1 3.73Å; L911-L983 HydrophobicContact CB-CD1 3.81Å; L911-L983 HydrophobicContact CB-CD2 4.35Å; L911-L983 HydrophobicContact CD1-CD1 4.33Å
912	R	97.7	Very high	96.2	Very high	73 Å²	73	39 Å²	39	28%	0.275	19%	0.188	S	C	.	.			trans	-139	170.1	177.7	-58.9	-65.3	-177.1	-75.8	-11.3	109.9	R909 D910 D914 H915 G987 D988 A991	R909-R912 PolarHBondContact O-NH1 2.84Å; D910-R912 VanDerWaalsContact C-NH1 3.27Å; D910-R912 PolarHBondContact O-NH1 3.24Å; R912-D914 WeakPolarHBondContact CB-OD1 3.2Å; R912-D914 PolarHBondContact O-N 3.11Å; R912-H915 PolarHBondContact N-ND1 2.73Å; R912-H915 VanDerWaalsContact O-CB 3.31Å; R912-H915 WeakPolarHBondContact O-CB 3.41Å; R912-H915 PolarHBondContact O-N 2.79Å; R912-H915 PolarHBondContact O-ND1 2.72Å; R912-G987 CarbonylContact C-O 3.56Å; R912-G987 WeakPolarHBondContact CA-O 3.45Å; R912-D988 VanDerWaalsContact CD-OD1 3.23Å; R912-D988 WeakPolarHBondContact CD-OD1 3.27Å; R912-D988 IonicContact NE-OD1 3.17Å; R912-D988 PolarHBondContact NE-OD1 3.38Å; R912-A991 VanDerWaalsContact NH2-CB 3.33Å
913	A	96.4	Very high	96.4	Very high	42 Å²	42	42.5 Å²	42.5	35%	0.347	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-55.9	-33.8	-179.9	0	0	0	0	0	114.3	H915 L916 G987	A913-H915 PolarHBondContact O-N 2.87Å; A913-L916 HydrophobicContact CB-CD1 4.47Å; A913-L916 VanDerWaalsContact O-CB 3.27Å; A913-L916 WeakPolarHBondContact O-CB 3.41Å; A913-L916 WeakPolarHBondContact O-CD1 3.37Å; A913-L916 VanDerWaalsContact O-CG 3.23Å; A913-L916 WeakPolarHBondContact O-CG 3.48Å; A913-L916 PolarHBondContact O-N 3.38Å; A913-L916 VanDerWaalsContact O-N 3.1Å; A913-G987 PolarHBondContact N-O 2.96Å
914	D	96.6	Very high	96.6	Very high	110 Å²	110	36.9 Å²	36.9	59%	0.588	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-66	-12.9	175.7	65.5	-20.3	0	0	0	113.8	R912 P917	R912-D914 WeakPolarHBondContact CB-OD1 3.2Å; R912-D914 PolarHBondContact O-N 3.11Å; D914-P917 WeakPolarHBondContact O-CD 3.28Å
915	H	98	Very high	96.9	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.051	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-89.2	-5.8	174.1	-57.8	92.3	0	0	0	113.2	R902 L911 R912 A913 P917 L918 L919	R902-H915 PolarHBondContact NH1-CD2 3.38Å; R902-H915 PolarHBondContact NH2-NE2 3.46Å; R902-H915 VanDerWaalsContact NH2-NE2 3.15Å; L911-H915 HydrophobicContact CD2-CB 3.84Å; R912-H915 PolarHBondContact N-ND1 2.73Å; R912-H915 VanDerWaalsContact O-CB 3.31Å; R912-H915 WeakPolarHBondContact O-CB 3.41Å; R912-H915 PolarHBondContact O-N 2.79Å; R912-H915 PolarHBondContact O-ND1 2.72Å; A913-H915 PolarHBondContact O-N 2.87Å; H915-P917 VanDerWaalsContact C-CD 3.44Å; H915-P917 VanDerWaalsContact C-N 3.34Å; H915-L918 WeakPolarHBondContact O-CB 3.43Å; H915-L918 PolarHBondContact O-N 2.98Å; H915-L918 VanDerWaalsContact O-N 3.16Å; H915-L919 PolarHBondContact O-N 2.86Å
916	L	97.9	Very high	97.1	Very high	21 Å²	21	37 Å²	37	11%	0.11	19%	0.186	C	C	.	.	H	α-helix	trans	-54.9	-39.6	177.1	-73.1	171.3	0	0	0	113.6	A913 L918 L919 Y920 V980 L983 Q984	A913-L916 HydrophobicContact CB-CD1 4.47Å; A913-L916 VanDerWaalsContact O-CB 3.27Å; A913-L916 WeakPolarHBondContact O-CB 3.41Å; A913-L916 WeakPolarHBondContact O-CD1 3.37Å; A913-L916 VanDerWaalsContact O-CG 3.23Å; A913-L916 WeakPolarHBondContact O-CG 3.48Å; A913-L916 PolarHBondContact O-N 3.38Å; A913-L916 VanDerWaalsContact O-N 3.1Å; L916-L918 PolarHBondContact O-N 3.11Å; L916-L919 PolarHBondContact O-N 2.92Å; L916-L919 VanDerWaalsContact O-N 3.12Å; L916-Y920 HydrophobicContact CB-CD2 4.35Å; L916-Y920 HydrophobicContact CB-CE2 3.81Å; L916-Y920 WeakPolarHBondContact O-CD2 3.5Å; L916-Y920 PolarHBondContact O-N 3.22Å; L916-V980 HydrophobicContact CD2-CG1 4.07Å; L916-L983 HydrophobicContact CD2-CB 4.07Å; L916-Q984 HydrophobicContact CD1-CG 3.93Å; L916-Q984 HydrophobicContact CD2-CG 4.18Å
917	P	98	Very high	97.3	Very high	67 Å²	67	36.2 Å²	36.2	44%	0.435	18%	0.183	S	C	.	.	H	α-helix	trans	-57.5	-42.9	174.9	-26.7	36.5	0	0	0	113.9	D914 H915 L919 Y920 N921	D914-P917 WeakPolarHBondContact O-CD 3.28Å; H915-P917 VanDerWaalsContact C-CD 3.44Å; H915-P917 VanDerWaalsContact C-N 3.34Å; P917-L919 VanDerWaalsContact C-N 3.34Å; P917-L919 PolarHBondContact O-N 3.47Å; P917-Y920 PolarHBondContact O-N 3.35Å; P917-N921 WeakPolarHBondContact O-CB 3.04Å; P917-N921 PolarHBondContact O-N 3.07Å
918	L	98.1	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-45.1	173.9	164	65.5	0	0	0	110.8	N876 V900 L905 H915 L916 N921 L922	N876-L918 HydrophobicContact CB-CB 4.45Å; N876-L918 WeakPolarHBondContact O-CD1 3.24Å; N876-L918 WeakPolarHBondContact OD1-CA 3.44Å; N876-L918 WeakPolarHBondContact OD1-CB 3.34Å; N876-L918 PolarHBondContact OD1-N 2.83Å; V900-L918 HydrophobicContact CB-CD1 4.4Å; V900-L918 HydrophobicContact CG1-CD1 4.07Å; V900-L918 HydrophobicContact CG1-CD2 4.19Å; L905-L918 HydrophobicContact CD1-CD2 3.84Å; H915-L918 WeakPolarHBondContact O-CB 3.43Å; H915-L918 PolarHBondContact O-N 2.98Å; H915-L918 VanDerWaalsContact O-N 3.16Å; L916-L918 PolarHBondContact O-N 3.11Å; L918-N921 PolarHBondContact O-N 3.18Å; L918-L922 VanDerWaalsContact O-CB 3.28Å; L918-L922 WeakPolarHBondContact O-CB 3.38Å; L918-L922 PolarHBondContact O-N 2.78Å
919	L	98.3	Very high	97.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-45.2	179.9	-62.1	-174.4	0	0	0	111.7	L911 H915 L916 P917 N921 L922 W923 F945 F976 V979 V980 L983	L911-L919 HydrophobicContact CD1-CD1 4.41Å; H915-L919 PolarHBondContact O-N 2.86Å; L916-L919 PolarHBondContact O-N 2.92Å; L916-L919 VanDerWaalsContact O-N 3.12Å; P917-L919 VanDerWaalsContact C-N 3.34Å; P917-L919 PolarHBondContact O-N 3.47Å; L919-N921 VanDerWaalsContact C-N 3.33Å; L919-N921 PolarHBondContact O-N 3.47Å; L919-L922 PolarHBondContact O-N 2.84Å; L919-W923 WeakPolarHBondContact O-CB 3.42Å; L919-W923 PolarHBondContact O-N 2.84Å; L919-F945 HydrophobicContact CD2-CE1 4.44Å; L919-F945 HydrophobicContact CD2-CZ 3.82Å; L919-F976 HydrophobicContact CB-CE2 4.47Å; L919-F976 HydrophobicContact CB-CZ 3.83Å; L919-F976 HydrophobicContact CD2-CE2 4.07Å; L919-F976 HydrophobicContact CD2-CZ 4.27Å; L919-F976 VanDerWaalsContact O-CZ 3.31Å; L919-F976 WeakPolarHBondContact O-CZ 3.15Å; L919-V979 HydrophobicContact CD1-CG1 4.41Å; L919-V980 HydrophobicContact CB-CG2 4.12Å; L919-V980 HydrophobicContact CD1-CG2 3.93Å; L919-L983 HydrophobicContact CD1-CD1 3.94Å
920	Y	98.3	Very high	97.5	Very high	104 Å²	104	39.7 Å²	39.7	41%	0.408	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-41.5	176.7	-63.7	-42	0	0	0	112.3	L916 P917 W923 A924 V980 Q984	L916-Y920 HydrophobicContact CB-CD2 4.35Å; L916-Y920 HydrophobicContact CB-CE2 3.81Å; L916-Y920 WeakPolarHBondContact O-CD2 3.5Å; L916-Y920 PolarHBondContact O-N 3.22Å; P917-Y920 PolarHBondContact O-N 3.35Å; Y920-W923 PolarHBondContact O-N 2.87Å; Y920-A924 WeakPolarHBondContact O-CB 3.33Å; Y920-A924 PolarHBondContact O-N 3.03Å; Y920-V980 HydrophobicContact CE1-CG1 3.71Å; Y920-Q984 PolarHBondContact OH-NE2 3.37Å
921	N	98.1	Very high	97.4	Very high	41 Å²	41	42.9 Å²	42.9	22%	0.219	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-48.7	176.2	-171.8	44.6	0	0	0	111.1	D871 N876 P917 L918 L919 W923 A924 K925	D871-N921 PolarHBondContact OD2-ND2 2.87Å; N876-N921 PolarHBondContact O-ND2 2.89Å; P917-N921 WeakPolarHBondContact O-CB 3.04Å; P917-N921 PolarHBondContact O-N 3.07Å; L918-N921 PolarHBondContact O-N 3.18Å; L919-N921 VanDerWaalsContact C-N 3.33Å; L919-N921 PolarHBondContact O-N 3.47Å; N921-W923 VanDerWaalsContact C-N 3.34Å; N921-W923 PolarHBondContact O-N 2.78Å; N921-A924 PolarHBondContact O-N 3.38Å; N921-K925 WeakPolarHBondContact O-CB 3.38Å; N921-K925 WeakPolarHBondContact O-CG 3.22Å; N921-K925 PolarHBondContact O-N 2.71Å
922	L	97.1	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-45.4	177.4	-171.3	153.9	0	0	0	111.6	F878 A898 V900 L918 L919 C926 V956 F958 F976	F878-L922 HydrophobicContact CD1-CB 4.14Å; F878-L922 HydrophobicContact CD1-CG 4.29Å; F878-L922 HydrophobicContact CD2-CG 4.44Å; F878-L922 VanDerWaalsContact CE1-CA 3.5Å; F878-L922 HydrophobicContact CE1-CB 4.1Å; F878-L922 HydrophobicContact CE1-CG 4.42Å; F878-L922 HydrophobicContact CG-CD1 4.3Å; F878-L922 HydrophobicContact CG-CG 4.33Å; A898-L922 HydrophobicContact CB-CD1 3.99Å; A898-L922 HydrophobicContact CB-CD2 4.31Å; A898-L922 HydrophobicContact CB-CG 4.17Å; V900-L922 HydrophobicContact CG1-CD1 4.12Å; L918-L922 VanDerWaalsContact O-CB 3.28Å; L918-L922 WeakPolarHBondContact O-CB 3.38Å; L918-L922 PolarHBondContact O-N 2.78Å; L919-L922 PolarHBondContact O-N 2.84Å; L922-C926 WeakPolarHBondContact O-CB 3.45Å; L922-C926 PolarHBondContact O-N 2.92Å; L922-C926 PolarHBondContact O-SG 2.85Å; L922-V956 HydrophobicContact CD1-CB 4.39Å; L922-V956 HydrophobicContact CD1-CG2 3.71Å; L922-V956 HydrophobicContact CD2-CB 3.98Å; L922-V956 HydrophobicContact CD2-CG1 4.12Å; L922-V956 HydrophobicContact CD2-CG2 3.82Å; L922-V956 HydrophobicContact CG-CG2 4.47Å; L922-F958 HydrophobicContact CD2-CE2 3.81Å; L922-F958 HydrophobicContact CD2-CZ 3.56Å; L922-F976 HydrophobicContact CD2-CE2 3.89Å; L922-F976 HydrophobicContact CD2-CZ 4.41Å
923	W	97.6	Very high	97	Very high	118 Å²	118	52 Å²	52	45%	0.447	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-51.9	178.6	-175.8	86.6	0	0	0	112.1	L919 Y920 N921 T927 A938 F976	L919-W923 WeakPolarHBondContact O-CB 3.42Å; L919-W923 PolarHBondContact O-N 2.84Å; Y920-W923 PolarHBondContact O-N 2.87Å; N921-W923 VanDerWaalsContact C-N 3.34Å; N921-W923 PolarHBondContact O-N 2.78Å; W923-T927 HydrophobicContact CD2-CG2 4.44Å; W923-T927 WeakPolarHBondContact O-CB 3.45Å; W923-T927 VanDerWaalsContact O-CG2 3.24Å; W923-T927 WeakPolarHBondContact O-CG2 3.37Å; W923-T927 PolarHBondContact O-N 2.84Å; W923-T927 VanDerWaalsContact O-N 3.08Å; W923-T927 PolarHBondContact O-OG1 3.02Å; W923-A938 HydrophobicContact CZ2-CB 4.41Å; W923-F976 HydrophobicContact CB-CE1 3.72Å; W923-F976 HydrophobicContact CB-CZ 3.97Å; W923-F976 AromaticContact CD1-CD1 3.92Å; W923-F976 AromaticContact CD1-CE1 3.81Å; W923-F976 HydrophobicContact CG-CE1 4.07Å
924	A	97.2	Very high	96.8	Very high	41 Å²	41	52.5 Å²	52.5	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-51.9	-176	0	0	0	0	0	111.2	Y920 N921 T927 T928	Y920-A924 WeakPolarHBondContact O-CB 3.33Å; Y920-A924 PolarHBondContact O-N 3.03Å; N921-A924 PolarHBondContact O-N 3.38Å; A924-T927 PolarHBondContact O-OG1 2.89Å; A924-T928 WeakPolarHBondContact O-CB 3.31Å; A924-T928 PolarHBondContact O-N 3.21Å; A924-T928 VanDerWaalsContact O-N 3.1Å; A924-T928 PolarHBondContact O-OG1 2.94Å
925	K	98	Very high	96.5	Very high	87 Å²	87	53.5 Å²	53.5	38%	0.378	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-46.6	-176.5	-67.5	-55.6	-167.7	-179.2	0	112.6	Y869 F878 N921 T927 T928 T929	Y869-K925 HydrophobicContact CD1-CB 4.42Å; Y869-K925 HydrophobicContact CE1-CB 3.7Å; Y869-K925 HydrophobicContact CE1-CD 4.43Å; Y869-K925 HydrophobicContact CE1-CG 4.07Å; Y869-K925 WeakPolarHBondContact OH-CD 3.44Å; F878-K925 HydrophobicContact CE1-CB 4.21Å; F878-K925 HydrophobicContact CZ-CB 3.66Å; F878-K925 HydrophobicContact CZ-CG 4.45Å; N921-K925 WeakPolarHBondContact O-CB 3.38Å; N921-K925 WeakPolarHBondContact O-CG 3.22Å; N921-K925 PolarHBondContact O-N 2.71Å; K925-T927 PolarHBondContact O-N 3.11Å; K925-T928 PolarHBondContact O-N 3.26Å; K925-T929 WeakPolarHBondContact O-CB 3.21Å; K925-T929 PolarHBondContact O-N 2.68Å; K925-T929 PolarHBondContact O-OG1 2.79Å
926	C	98.1	Very high	96.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-45.1	179.6	-71.5	0	0	0	0	112	F878 L880 L922 T929 I930 F958	F878-C926 WeakPolarHBondContact CE2-SG 3.48Å; L880-C926 HydrophobicContact CD2-CB 4.25Å; L922-C926 WeakPolarHBondContact O-CB 3.45Å; L922-C926 PolarHBondContact O-N 2.92Å; L922-C926 PolarHBondContact O-SG 2.85Å; C926-T929 PolarHBondContact O-N 3.03Å; C926-I930 WeakPolarHBondContact O-CB 3.32Å; C926-I930 WeakPolarHBondContact O-CD1 3.49Å; C926-I930 WeakPolarHBondContact O-CG1 3.14Å; C926-I930 PolarHBondContact O-N 2.82Å; C926-F958 HydrophobicContact CB-CD1 4.16Å; C926-F958 HydrophobicContact CB-CE1 3.4Å; C926-F958 HydrophobicContact CB-CE2 3.88Å; C926-F958 HydrophobicContact CB-CZ 3.24Å
927	T	97.2	Very high	96.1	Very high	12 Å²	12	55.4 Å²	55.4	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-40.9	-178.9	55.3	0	0	0	0	111.8	W923 A924 K925 K931 A938 M941 I943 F958	W923-T927 HydrophobicContact CD2-CG2 4.44Å; W923-T927 WeakPolarHBondContact O-CB 3.45Å; W923-T927 VanDerWaalsContact O-CG2 3.24Å; W923-T927 WeakPolarHBondContact O-CG2 3.37Å; W923-T927 PolarHBondContact O-N 2.84Å; W923-T927 VanDerWaalsContact O-N 3.08Å; W923-T927 PolarHBondContact O-OG1 3.02Å; A924-T927 PolarHBondContact O-OG1 2.89Å; K925-T927 PolarHBondContact O-N 3.11Å; T927-K931 VanDerWaalsContact O-CB 3.29Å; T927-K931 WeakPolarHBondContact O-CB 3.1Å; T927-K931 PolarHBondContact O-N 2.85Å; T927-A938 HydrophobicContact CG2-CB 3.91Å; T927-M941 HydrophobicContact CG2-CE 3.89Å; T927-I943 HydrophobicContact CG2-CD1 4.05Å; T927-F958 HydrophobicContact CG2-CE1 4.47Å
928	T	97.6	Very high	95.9	Very high	68 Å²	68	53.9 Å²	53.9	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-50.5	172.6	-62.2	0	0	0	0	111.8	A924 K925 I930 K931 E932	A924-T928 WeakPolarHBondContact O-CB 3.31Å; A924-T928 PolarHBondContact O-N 3.21Å; A924-T928 VanDerWaalsContact O-N 3.1Å; A924-T928 PolarHBondContact O-OG1 2.94Å; K925-T928 PolarHBondContact O-N 3.26Å; T928-I930 VanDerWaalsContact C-N 3.34Å; T928-I930 PolarHBondContact O-N 2.82Å; T928-K931 PolarHBondContact O-N 3.11Å; T928-E932 HydrophobicContact CG2-CG 4.4Å; T928-E932 WeakPolarHBondContact CG2-OE1 3.31Å; T928-E932 WeakPolarHBondContact O-CG 3.47Å; T928-E932 PolarHBondContact O-N 2.84Å
929	T	97.2	Very high	95.6	Very high	13 Å²	13	60.2 Å²	60.2	8%	0.08	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-44.1	179.1	-59.9	0	0	0	0	111.9	Y869 L880 K925 C926 K931 E932 K933	Y869-T929 HydrophobicContact CD2-CG2 4.46Å; Y869-T929 WeakPolarHBondContact CD2-OG1 3.19Å; Y869-T929 HydrophobicContact CG-CG2 4.43Å; L880-T929 HydrophobicContact CD2-CG2 4.34Å; K925-T929 WeakPolarHBondContact O-CB 3.21Å; K925-T929 PolarHBondContact O-N 2.68Å; K925-T929 PolarHBondContact O-OG1 2.79Å; C926-T929 PolarHBondContact O-N 3.03Å; T929-K931 VanDerWaalsContact C-N 3.34Å; T929-E932 PolarHBondContact O-N 3.08Å; T929-K933 VanDerWaalsContact O-CB 3.25Å; T929-K933 WeakPolarHBondContact O-CB 3.27Å; T929-K933 PolarHBondContact O-N 3.18Å
930	I	95.9	Very high	95.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-41	-178.7	-69.1	167.1	0	0	0	110.6	L880 M894 L896 C926 T928 Y934 N935 V936 M941 F958	L880-I930 HydrophobicContact CD2-CD1 4.28Å; L880-I930 HydrophobicContact CD2-CG1 4.07Å; M894-I930 HydrophobicContact CE-CG2 3.96Å; M894-I930 HydrophobicContact SD-CG2 3.84Å; L896-I930 HydrophobicContact CD1-CD1 3.63Å; L896-I930 HydrophobicContact CD1-CG1 3.53Å; C926-I930 WeakPolarHBondContact O-CB 3.32Å; C926-I930 WeakPolarHBondContact O-CD1 3.49Å; C926-I930 WeakPolarHBondContact O-CG1 3.14Å; C926-I930 PolarHBondContact O-N 2.82Å; T928-I930 VanDerWaalsContact C-N 3.34Å; T928-I930 PolarHBondContact O-N 2.82Å; I930-Y934 HydrophobicContact CG2-CD2 4.37Å; I930-Y934 WeakPolarHBondContact O-CA 3.23Å; I930-Y934 WeakPolarHBondContact O-CB 3.43Å; I930-Y934 PolarHBondContact O-N 3.36Å; I930-N935 PolarHBondContact O-N 3.3Å; I930-V936 HydrophobicContact CG2-CB 3.93Å; I930-V936 HydrophobicContact CG2-CG1 4.43Å; I930-M941 HydrophobicContact CB-CE 4.32Å; I930-M941 HydrophobicContact CB-SD 4.17Å; I930-M941 HydrophobicContact CD1-CE 4.35Å; I930-M941 HydrophobicContact CD1-SD 3.65Å; I930-M941 HydrophobicContact CG1-SD 4.49Å; I930-M941 HydrophobicContact CG2-CE 4.1Å; I930-M941 HydrophobicContact CG2-SD 3.59Å; I930-M941 VanDerWaalsContact CG2-SD 3.59Å; I930-F958 HydrophobicContact CD1-CB 3.81Å; I930-F958 HydrophobicContact CD1-CD1 3.66Å; I930-F958 HydrophobicContact CD1-CE1 4.45Å; I930-F958 HydrophobicContact CD1-CG 3.86Å
931	K	95.2	Very high	95.2	Very high	92 Å²	92	58.6 Å²	58.6	40%	0.4	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-48.5	173.4	-179.6	175.7	179.7	152.2	0	111.7	T927 T928 T929 N935 V936 E937	T927-K931 VanDerWaalsContact O-CB 3.29Å; T927-K931 WeakPolarHBondContact O-CB 3.1Å; T927-K931 PolarHBondContact O-N 2.85Å; T928-K931 PolarHBondContact O-N 3.11Å; T929-K931 VanDerWaalsContact C-N 3.34Å; K931-N935 WeakPolarHBondContact O-CA 3.49Å; K931-N935 PolarHBondContact O-N 3.17Å; K931-V936 WeakPolarHBondContact CA-O 3.25Å; K931-E937 WeakPolarHBondContact CD-OE2 3.47Å; K931-E937 WeakPolarHBondContact CE-OE1 3.38Å; K931-E937 WeakPolarHBondContact CE-OE2 3.36Å; K931-E937 IonicContact NZ-OE1 2.71Å; K931-E937 PolarHBondContact NZ-OE1 3.24Å; K931-E937 IonicContact NZ-OE2 2.71Å; K931-E937 PolarHBondContact NZ-OE2 3.17Å
932	E	94.5	Very high	95.1	Very high	152 Å²	152	59.8 Å²	59.8	71%	0.71	29%	0.293	S	S	*	.	H	α-helix	trans	-64.9	-41.2	-179.4	-72.5	171.4	175	0	0	112.6	T928 T929	T928-E932 HydrophobicContact CG2-CG 4.4Å; T928-E932 WeakPolarHBondContact CG2-OE1 3.31Å; T928-E932 WeakPolarHBondContact O-CG 3.47Å; T928-E932 PolarHBondContact O-N 2.84Å; T929-E932 PolarHBondContact O-N 3.08Å
933	K	91.6	Very high	95	Very high	112 Å²	112	60.6 Å²	60.6	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-87.1	-35.8	-171.9	-168.2	166.8	-175.9	164.1	0	113.8	I868 T929	I868-K933 HydrophobicContact CB-CD 4.1Å; I868-K933 HydrophobicContact CG2-CD 4.24Å; T929-K933 VanDerWaalsContact O-CB 3.25Å; T929-K933 WeakPolarHBondContact O-CB 3.27Å; T929-K933 PolarHBondContact O-N 3.18Å
934	Y	91.6	Very high	94.9	Very high	53 Å²	53	55 Å²	55	21%	0.208	28%	0.276	C	S	.	.	H	α-helix	trans	-123.1	-1.5	-172	-55.3	-64.1	0	0	0	113.5	I868 W886 M894 L896 I930 V936	I868-Y934 HydrophobicContact CD1-CE2 3.75Å; W886-Y934 AromaticContact CH2-CD1 3.74Å; W886-Y934 HydrophobicContact CH2-CD1 3.74Å; W886-Y934 HydrophobicContact CH2-CD2 4.26Å; W886-Y934 AromaticContact CH2-CE1 3.47Å; W886-Y934 HydrophobicContact CH2-CE1 3.47Å; W886-Y934 VanDerWaalsContact CH2-CE1 3.47Å; W886-Y934 HydrophobicContact CH2-CE2 4.03Å; W886-Y934 HydrophobicContact CH2-CG 4.11Å; W886-Y934 AromaticContact CH2-CZ 3.62Å; W886-Y934 HydrophobicContact CZ2-CD1 4.48Å; W886-Y934 HydrophobicContact CZ2-CE1 4.41Å; W886-Y934 HydrophobicContact CZ3-CE1 4.12Å; W886-Y934 HydrophobicContact CZ3-CE2 4.14Å; W886-Y934 AromaticContact CZ3-CZ 3.81Å; M894-Y934 HydrophobicContact SD-CD2 4.28Å; L896-Y934 HydrophobicContact CD1-CD2 4.34Å; L896-Y934 HydrophobicContact CD1-CE2 4.04Å; L896-Y934 HydrophobicContact CD2-CE2 4.43Å; I930-Y934 HydrophobicContact CG2-CD2 4.37Å; I930-Y934 WeakPolarHBondContact O-CA 3.23Å; I930-Y934 WeakPolarHBondContact O-CB 3.43Å; I930-Y934 PolarHBondContact O-N 3.36Å; Y934-V936 VanDerWaalsContact C-N 3.29Å; Y934-V936 PolarHBondContact O-N 3.03Å
935	N	92.2	Very high	94.9	Very high	130 Å²	130	53 Å²	53	70%	0.695	26%	0.26	S	S	*	.			trans	54.7	44.7	-178.6	-165.1	48.8	0	0	0	112.6	I930 K931	I930-N935 PolarHBondContact O-N 3.3Å; K931-N935 WeakPolarHBondContact O-CA 3.49Å; K931-N935 PolarHBondContact O-N 3.17Å
936	V	92.7	Very high	94.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	24%	0.244	C	C	.	.			trans	-114.8	121.3	175.7	176.6	0	0	0	0	108.7	M894 I930 K931 Y934 E940 M941 Y960	M894-V936 HydrophobicContact CE-CG1 4.12Å; M894-V936 HydrophobicContact SD-CG2 4.22Å; I930-V936 HydrophobicContact CG2-CB 3.93Å; I930-V936 HydrophobicContact CG2-CG1 4.43Å; K931-V936 WeakPolarHBondContact CA-O 3.25Å; Y934-V936 VanDerWaalsContact C-N 3.29Å; Y934-V936 PolarHBondContact O-N 3.03Å; V936-E940 HydrophobicContact CG1-CB 3.85Å; V936-M941 HydrophobicContact CG1-CG 3.62Å; V936-M941 HydrophobicContact CG1-SD 4.27Å; V936-Y960 HydrophobicContact CG1-CD2 3.77Å; V936-Y960 HydrophobicContact CG1-CE2 4.05Å; V936-Y960 HydrophobicContact CG2-CD2 4.19Å; V936-Y960 HydrophobicContact CG2-CE2 4.36Å
937	E	94.6	Very high	94.5	Very high	71 Å²	71	49.3 Å²	49.3	33%	0.332	24%	0.244	S	C	.	.			trans	-75.3	157	179.5	-66	-70.1	170.7	0	0	111.8	K931 N939 E940	K931-E937 WeakPolarHBondContact CD-OE2 3.47Å; K931-E937 WeakPolarHBondContact CE-OE1 3.38Å; K931-E937 WeakPolarHBondContact CE-OE2 3.36Å; K931-E937 IonicContact NZ-OE1 2.71Å; K931-E937 PolarHBondContact NZ-OE1 3.24Å; K931-E937 IonicContact NZ-OE2 2.71Å; K931-E937 PolarHBondContact NZ-OE2 3.17Å; E937-N939 WeakPolarHBondContact CB-OD1 3.34Å; E937-N939 PolarHBondContact O-N 3.1Å; E937-E940 HydrophobicContact CB-CG 4.2Å; E937-E940 PolarHBondContact N-OE2 2.84Å; E937-E940 WeakPolarHBondContact O-CB 3.23Å; E937-E940 PolarHBondContact O-N 3.35Å
938	A	92.2	Very high	94.2	Very high	36 Å²	36	49.8 Å²	49.8	30%	0.298	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-57.1	-35.1	-179	0	0	0	0	0	113.7	W923 T927 E940 M941	W923-A938 HydrophobicContact CZ2-CB 4.41Å; T927-A938 HydrophobicContact CG2-CB 3.91Å; A938-E940 VanDerWaalsContact C-N 3.27Å; A938-E940 PolarHBondContact O-N 3.43Å; A938-M941 HydrophobicContact CB-CE 4.42Å; A938-M941 PolarHBondContact O-N 3.49Å
939	N	93.6	Very high	93.8	Very high	132 Å²	132	47.1 Å²	47.1	71%	0.706	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-79	-6.8	177.7	63.8	-20.5	0	0	0	113.8	E937	E937-N939 WeakPolarHBondContact CB-OD1 3.34Å; E937-N939 PolarHBondContact O-N 3.1Å
940	E	93.8	Very high	93.1	Very high	58 Å²	58	50.5 Å²	50.5	27%	0.271	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-94.7	5.9	172.1	-63	-176	99.3	0	0	112.4	V936 E937 A938 Y960 L961	V936-E940 HydrophobicContact CG1-CB 3.85Å; E937-E940 HydrophobicContact CB-CG 4.2Å; E937-E940 PolarHBondContact N-OE2 2.84Å; E937-E940 WeakPolarHBondContact O-CB 3.23Å; E937-E940 PolarHBondContact O-N 3.35Å; A938-E940 VanDerWaalsContact C-N 3.27Å; A938-E940 PolarHBondContact O-N 3.43Å; E940-Y960 HydrophobicContact CB-CD2 4.41Å; E940-Y960 HydrophobicContact CB-CE2 3.86Å; E940-Y960 WeakPolarHBondContact O-CD2 3.26Å; E940-Y960 PolarHBondContact OE1-OH 2.76Å; E940-L961 WeakPolarHBondContact O-CB 3.06Å; E940-L961 PolarHBondContact O-N 3.48Å
941	M	94.1	Very high	92.7	Very high	14 Å²	14	52 Å²	52	7%	0.069	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.6	-178.1	-65.7	-172.4	-82.7	0	0	112.5	M894 T927 I930 V936 A938 I943 F958 T959	M894-M941 HydrophobicContact CE-CG 3.96Å; M894-M941 HydrophobicContact CE-SD 3.85Å; T927-M941 HydrophobicContact CG2-CE 3.89Å; I930-M941 HydrophobicContact CB-CE 4.32Å; I930-M941 HydrophobicContact CB-SD 4.17Å; I930-M941 HydrophobicContact CD1-CE 4.35Å; I930-M941 HydrophobicContact CD1-SD 3.65Å; I930-M941 HydrophobicContact CG1-SD 4.49Å; I930-M941 HydrophobicContact CG2-CE 4.1Å; I930-M941 HydrophobicContact CG2-SD 3.59Å; I930-M941 VanDerWaalsContact CG2-SD 3.59Å; V936-M941 HydrophobicContact CG1-CG 3.62Å; V936-M941 HydrophobicContact CG1-SD 4.27Å; A938-M941 HydrophobicContact CB-CE 4.42Å; A938-M941 PolarHBondContact O-N 3.49Å; M941-I943 HydrophobicContact CB-CG1 4.05Å; M941-F958 HydrophobicContact SD-CD1 4.25Å; M941-T959 CarbonylContact C-O 3.47Å; M941-T959 VanDerWaalsContact CA-O 3.3Å; M941-T959 WeakPolarHBondContact CA-O 2.96Å
942	R	94.3	Very high	92.5	Very high	65 Å²	65	50 Å²	50	25%	0.245	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.8	160.5	-168.8	179.9	-66.4	114.7	8	107.9	Y944 T959 L961 E963 L975	R942-Y944 HydrophobicContact CG-CD1 3.95Å; R942-Y944 HydrophobicContact CG-CE1 4.43Å; R942-T959 PolarHBondContact N-O 3.47Å; R942-T959 PolarHBondContact O-N 3.29Å; R942-T959 PolarHBondContact O-OG1 2.92Å; R942-L961 HydrophobicContact CB-CD1 4.34Å; R942-L961 PolarHBondContact NH2-O 2.82Å; R942-L961 VanDerWaalsContact NH2-O 3.11Å; R942-E963 PolarHBondContact NH1-O 2.83Å; R942-L975 HydrophobicContact CG-CD2 4.13Å
943	I	96.3	Very high	92.5	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.087	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.1	-178.7	-48.1	171.4	0	0	0	108.2	T927 M941 V956 H957 F958 F976	T927-I943 HydrophobicContact CG2-CD1 4.05Å; M941-I943 HydrophobicContact CB-CG1 4.05Å; I943-V956 HydrophobicContact CG2-CG1 3.65Å; I943-H957 VanDerWaalsContact CA-O 3.31Å; I943-H957 WeakPolarHBondContact CA-O 3.33Å; I943-F958 HydrophobicContact CB-CD1 4.42Å; I943-F958 HydrophobicContact CB-CE1 4.45Å; I943-F958 HydrophobicContact CD1-CD1 3.87Å; I943-F958 HydrophobicContact CD1-CE1 3.69Å; I943-F958 HydrophobicContact CG1-CD1 3.71Å; I943-F958 HydrophobicContact CG1-CE1 3.94Å; I943-F958 HydrophobicContact CG2-CD1 3.91Å; I943-F958 HydrophobicContact CG2-CD2 4.49Å; I943-F958 HydrophobicContact CG2-CE1 3.64Å; I943-F958 HydrophobicContact CG2-CE2 4.24Å; I943-F958 HydrophobicContact CG2-CG 4.31Å; I943-F958 HydrophobicContact CG2-CZ 3.8Å; I943-F976 HydrophobicContact CB-CB 3.92Å; I943-F976 HydrophobicContact CG2-CB 3.65Å; I943-F976 HydrophobicContact CG2-CD2 4.02Å; I943-F976 HydrophobicContact CG2-CG 3.88Å; I943-F976 WeakPolarHBondContact O-CB 3.23Å; I943-F976 PolarHBondContact O-N 3.19Å
944	Y	96.1	Very high	92.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	163.2	-169.1	62.9	-79	0	0	0	113.8	R942 H946 H957 T959 T968 A973 H974	R942-Y944 HydrophobicContact CG-CD1 3.95Å; R942-Y944 HydrophobicContact CG-CE1 4.43Å; Y944-H946 AromaticContact CE2-CD2 3.93Å; Y944-H946 AromaticContact CE2-NE2 3.5Å; Y944-H946 WeakPolarHBondContact CE2-NE2 3.37Å; Y944-H957 HydrophobicContact CD1-CB 4.13Å; Y944-H957 HydrophobicContact CD2-CB 4.29Å; Y944-H957 HydrophobicContact CE1-CB 3.64Å; Y944-H957 HydrophobicContact CE2-CB 3.84Å; Y944-H957 HydrophobicContact CG-CB 4.42Å; Y944-H957 VanDerWaalsContact CZ-CB 3.47Å; Y944-H957 PolarHBondContact N-O 3.12Å; Y944-H957 PolarHBondContact O-N 2.95Å; Y944-T959 HydrophobicContact CE1-CG2 3.96Å; Y944-T968 HydrophobicContact CE1-CG2 3.83Å; Y944-T968 HydrophobicContact CE2-CG2 4.25Å; Y944-T968 WeakPolarHBondContact OH-CG2 3.23Å; Y944-A973 HydrophobicContact CD2-CB 3.54Å; Y944-A973 HydrophobicContact CE2-CB 4.17Å; Y944-A973 HydrophobicContact CG-CB 4.09Å; Y944-H974 CarbonylContact C-O 3.35Å; Y944-H974 WeakPolarHBondContact CA-O 3.16Å; Y944-H974 VanDerWaalsContact CB-O 3.31Å; Y944-H974 WeakPolarHBondContact CB-O 3.45Å
945	F	96.8	Very high	92.9	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	153.1	172.6	-61	-98.2	0	0	0	110.5	I908 L911 L919 L954 V956 A973 H974 F976 V979	I908-F945 HydrophobicContact CG2-CB 3.45Å; I908-F945 VanDerWaalsContact CG2-CB 3.45Å; I908-F945 HydrophobicContact CG2-CD1 3.48Å; I908-F945 VanDerWaalsContact CG2-CD1 3.48Å; I908-F945 HydrophobicContact CG2-CD2 4.07Å; I908-F945 HydrophobicContact CG2-CE1 4.17Å; I908-F945 HydrophobicContact CG2-CG 3.41Å; I908-F945 VanDerWaalsContact CG2-CG 3.41Å; L911-F945 HydrophobicContact CD1-CE1 4.33Å; L911-F945 HydrophobicContact CD1-CZ 4.4Å; L919-F945 HydrophobicContact CD2-CE1 4.44Å; L919-F945 HydrophobicContact CD2-CZ 3.82Å; F945-L954 HydrophobicContact CD1-CD1 3.86Å; F945-L954 HydrophobicContact CE1-CD1 3.87Å; F945-L954 HydrophobicContact CE1-CG 4.31Å; F945-V956 HydrophobicContact CD1-CG2 3.96Å; F945-V956 HydrophobicContact CE1-CG2 3.39Å; F945-V956 HydrophobicContact CE2-CG2 4.49Å; F945-V956 HydrophobicContact CZ-CG2 3.69Å; F945-A973 CarbonylContact O-C 3.46Å; F945-A973 WeakPolarHBondContact O-CA 3.46Å; F945-H974 PolarHBondContact N-O 3.43Å; F945-H974 PolarHBondContact O-N 3.26Å; F945-F976 HydrophobicContact CD2-CD2 4.34Å; F945-F976 HydrophobicContact CE2-CB 4.25Å; F945-F976 AromaticContact CE2-CD2 3.35Å; F945-F976 HydrophobicContact CE2-CD2 3.35Å; F945-F976 AromaticContact CE2-CE2 3.92Å; F945-F976 HydrophobicContact CE2-CE2 3.92Å; F945-F976 HydrophobicContact CE2-CG 4.08Å; F945-F976 AromaticContact CZ-CD2 3.63Å; F945-F976 HydrophobicContact CZ-CD2 3.63Å; F945-F976 AromaticContact CZ-CE2 3.74Å; F945-F976 HydrophobicContact CZ-CE2 3.74Å; F945-V979 HydrophobicContact CD2-CB 4.21Å; F945-V979 HydrophobicContact CD2-CG1 4.39Å; F945-V979 HydrophobicContact CD2-CG2 3.76Å; F945-V979 HydrophobicContact CE2-CB 3.95Å; F945-V979 HydrophobicContact CE2-CG1 3.94Å; F945-V979 HydrophobicContact CE2-CG2 4.03Å; F945-V979 HydrophobicContact CZ-CG1 4.41Å
946	H	94.3	Very high	93.1	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.7	166.9	-71.7	138.7	0	0	0	112	Y944 H957 G967 R972	Y944-H946 AromaticContact CE2-CD2 3.93Å; Y944-H946 AromaticContact CE2-NE2 3.5Å; Y944-H946 WeakPolarHBondContact CE2-NE2 3.37Å; H946-H957 AromaticContact CE1-CD2 3.36Å; H946-H957 PolarHBondContact CE1-CD2 3.21Å; H946-H957 AromaticContact CE1-NE2 3.2Å; H946-H957 PolarHBondContact CE1-NE2 3.04Å; H946-H957 AromaticContact ND1-CD2 3.31Å; H946-H957 PolarHBondContact ND1-CD2 3.05Å; H946-H957 VanDerWaalsContact ND1-CD2 3.31Å; H946-H957 AromaticContact ND1-NE2 3Å; H946-H957 PolarHBondContact ND1-NE2 3.4Å; H946-G967 PolarHBondContact CD2-O 3.46Å; H946-G967 VanDerWaalsContact CD2-O 3.27Å; H946-G967 WeakPolarHBondContact NE2-CA 3.14Å; H946-G967 PolarHBondContact NE2-O 2.88Å; H946-R972 CarbonylContact C-O 3.53Å; H946-R972 VanDerWaalsContact CA-O 3.27Å; H946-R972 WeakPolarHBondContact CA-O 3.22Å
947	Y	93	Very high	93.3	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.151	C	C	.	.	S	Bend	trans	-137.9	121.4	164.7	-164.9	-98.2	0	0	0	111.5	E831 S907 I908 R909 R972 M995 F997	E831-Y947 PolarHBondContact OE1-OH 2.95Å; S907-Y947 WeakPolarHBondContact OG-CE2 3.23Å; I908-Y947 HydrophobicContact CD1-CD2 4.29Å; I908-Y947 HydrophobicContact CD1-CG 4.28Å; I908-Y947 HydrophobicContact CG1-CD2 3.68Å; I908-Y947 HydrophobicContact CG1-CE2 4.44Å; I908-Y947 HydrophobicContact CG1-CG 4.17Å; R909-Y947 HydrophobicContact CB-CE2 3.81Å; R909-Y947 PolarHBondContact NE-OH 3.1Å; R909-Y947 PolarHBondContact NH2-OH 3.31Å; Y947-R972 PolarHBondContact N-O 3.11Å; Y947-M995 HydrophobicContact CD1-CB 3.91Å; Y947-M995 HydrophobicContact CD1-CE 3.39Å; Y947-M995 HydrophobicContact CD1-CG 4.19Å; Y947-M995 HydrophobicContact CD2-CE 4.03Å; Y947-M995 HydrophobicContact CE1-CB 3.44Å; Y947-M995 VanDerWaalsContact CE1-CB 3.44Å; Y947-M995 HydrophobicContact CE1-CE 3.83Å; Y947-M995 HydrophobicContact CE1-CG 3.7Å; Y947-M995 HydrophobicContact CE2-CE 4.4Å; Y947-M995 HydrophobicContact CG-CE 3.49Å; Y947-M995 VanDerWaalsContact CG-CE 3.49Å; Y947-F997 HydrophobicContact CD1-CB 4.38Å; Y947-F997 AromaticContact CD1-CD1 3.63Å; Y947-F997 HydrophobicContact CD1-CD1 3.63Å; Y947-F997 HydrophobicContact CD1-CE1 4.16Å; Y947-F997 HydrophobicContact CD1-CG 4.15Å; Y947-F997 AromaticContact CE1-CD1 3.58Å; Y947-F997 HydrophobicContact CE1-CD1 3.58Å; Y947-F997 AromaticContact CE1-CE1 3.63Å; Y947-F997 HydrophobicContact CE1-CE1 3.63Å; Y947-F997 HydrophobicContact CE1-CG 4.44Å; Y947-F997 VanDerWaalsContact O-CB 3.27Å; Y947-F997 WeakPolarHBondContact O-CB 3.33Å
948	Q	90	Very high	93.3	Very high	22 Å²	22	26.4 Å²	26.4	10%	0.103	14%	0.135	C	C	.	.	S	Bend	cis	-65.3	149.2	-11.1	-65.9	-65.2	-7.5	0	0	111.5	E831 Y952 F997	E831-Q948 PolarHBondContact OE2-NE2 2.79Å; Q948-Y952 VanDerWaalsContact OE1-CE1 3.26Å; Q948-Y952 PolarHBondContact OE1-OH 3.27Å; Q948-F997 HydrophobicContact CG-CD2 4.18Å; Q948-F997 HydrophobicContact CG-CE2 3.87Å; Q948-F997 HydrophobicContact CG-CZ 4.16Å
949	P	90.3	Very high	93.4	Very high	11 Å²	11	24.7 Å²	24.7	7%	0.071	12%	0.121	C	C	.	.			trans	-74.2	159	176.9	32.6	-36	0	0	0	111.9	Y951 Y952	P949-Y951 WeakPolarHBondContact CB-O 3.15Å; P949-Y951 PolarHBondContact O-N 2.68Å; P949-Y952 HydrophobicContact CG-CD1 3.85Å; P949-Y952 HydrophobicContact CG-CE1 4.01Å; P949-Y952 HydrophobicContact CG-CG 4.38Å
950	T	82	Confident	93.4	Very high	84 Å²	84	19.4 Å²	19.4	52%	0.515	9%	0.091	S	C	.	.	S	Bend	trans	-64.5	-31.4	178.3	-53.8	0	0	0	0	112.4
951	Y	87.4	Confident	93.1	Very high	32 Å²	32	20.9 Å²	20.9	13%	0.125	10%	0.101	C	C	.	.	S	Bend	trans	-142.2	142	173	47.2	-91.9	0	0	0	107.8	W853 V854 P949 H953 H955	W853-Y951 HydrophobicContact CH2-CD1 4.19Å; W853-Y951 AromaticContact CH2-CE1 3.72Å; W853-Y951 HydrophobicContact CH2-CE1 3.72Å; W853-Y951 HydrophobicContact CH2-CE2 4.14Å; W853-Y951 AromaticContact CH2-CZ 3.69Å; W853-Y951 AromaticContact CZ2-CD1 3.69Å; W853-Y951 HydrophobicContact CZ2-CD1 3.69Å; W853-Y951 HydrophobicContact CZ2-CD2 4.19Å; W853-Y951 AromaticContact CZ2-CE1 3.73Å; W853-Y951 HydrophobicContact CZ2-CE1 3.73Å; W853-Y951 HydrophobicContact CZ2-CE2 4.21Å; W853-Y951 AromaticContact CZ2-CG 3.94Å; W853-Y951 HydrophobicContact CZ2-CG 3.94Å; W853-Y951 AromaticContact CZ2-CZ 3.99Å; V854-Y951 HydrophobicContact CG2-CD2 4.21Å; V854-Y951 HydrophobicContact CG2-CE2 4.34Å; P949-Y951 WeakPolarHBondContact CB-O 3.15Å; P949-Y951 PolarHBondContact O-N 2.68Å; Y951-H953 HydrophobicContact CD2-CB 4.11Å; Y951-H953 PolarHBondContact O-N 3.15Å; Y951-H955 AromaticContact CD2-CE1 3.91Å; Y951-H955 AromaticContact CD2-ND1 3.84Å; Y951-H955 AromaticContact CE2-CE1 3.58Å; Y951-H955 AromaticContact CE2-CG 3.96Å; Y951-H955 AromaticContact CE2-ND1 3.26Å; Y951-H955 VanDerWaalsContact CE2-ND1 3.26Å; Y951-H955 WeakPolarHBondContact CE2-ND1 3.42Å; Y951-H955 AromaticContact CZ-CE1 3.63Å; Y951-H955 AromaticContact CZ-CG 3.97Å; Y951-H955 AromaticContact CZ-ND1 3.59Å
952	Y	90.9	Very high	92.5	Very high	50 Å²	50	28 Å²	28	20%	0.196	13%	0.131	C	C	.	.	S	Bend	trans	-82.7	60.5	-170.5	-73.9	-83.2	0	0	0	112.8	I844 K906 Q948 P949	I844-Y952 HydrophobicContact CB-CE1 4.49Å; I844-Y952 HydrophobicContact CB-CE2 4.37Å; I844-Y952 HydrophobicContact CD1-CD1 3.89Å; I844-Y952 HydrophobicContact CD1-CE1 3.2Å; I844-Y952 HydrophobicContact CD1-CE2 4.25Å; I844-Y952 VanDerWaalsContact CD1-CZ 3.42Å; I844-Y952 HydrophobicContact CG1-CD1 4.29Å; I844-Y952 HydrophobicContact CG1-CD2 4.35Å; I844-Y952 HydrophobicContact CG1-CE1 3.68Å; I844-Y952 HydrophobicContact CG1-CE2 3.76Å; I844-Y952 WeakPolarHBondContact CG1-OH 3.36Å; I844-Y952 HydrophobicContact CG2-CD1 3.72Å; I844-Y952 HydrophobicContact CG2-CD2 3.52Å; I844-Y952 HydrophobicContact CG2-CE1 4Å; I844-Y952 HydrophobicContact CG2-CE2 3.82Å; I844-Y952 HydrophobicContact CG2-CG 3.45Å; I844-Y952 VanDerWaalsContact CG2-CG 3.45Å; K906-Y952 HydrophobicContact CB-CD1 4.29Å; K906-Y952 CarbonylContact O-C 3.47Å; Q948-Y952 VanDerWaalsContact OE1-CE1 3.26Å; Q948-Y952 PolarHBondContact OE1-OH 3.27Å; P949-Y952 HydrophobicContact CG-CD1 3.85Å; P949-Y952 HydrophobicContact CG-CE1 4.01Å; P949-Y952 HydrophobicContact CG-CG 4.38Å
953	H	93.8	Very high	91.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-141	123	170	-174.6	98.7	0	0	0	106.6	L851 Y855 V900 R902 K906 Y951 H955	L851-H953 HydrophobicContact CD1-CB 4.35Å; L851-H953 HydrophobicContact CD2-CB 4.24Å; Y855-H953 AromaticContact CE1-ND1 3.82Å; V900-H953 PolarHBondContact O-NE2 3.46Å; R902-H953 PolarHBondContact O-CE1 3.28Å; K906-H953 PolarHBondContact O-N 3.49Å; Y951-H953 HydrophobicContact CD2-CB 4.11Å; Y951-H953 PolarHBondContact O-N 3.15Å; H953-H955 PolarHBondContact O-N 3.35Å; H953-H955 PolarHBondContact O-ND1 3.36Å
954	L	96.2	Very high	90.5	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	15%	0.146	C	C	.	.			trans	-56.3	130.2	-169.9	-175.1	74	0	0	0	111.8	V900 L905 I908 L911 F945	V900-L954 HydrophobicContact CG1-CD2 4.23Å; V900-L954 HydrophobicContact CG2-CB 3.92Å; V900-L954 HydrophobicContact CG2-CD2 4.49Å; V900-L954 WeakPolarHBondContact CG2-O 3.24Å; V900-L954 PolarHBondContact N-O 3Å; L905-L954 HydrophobicContact CB-CB 3.78Å; L905-L954 HydrophobicContact CB-CD2 4.06Å; L905-L954 HydrophobicContact CD1-CD2 3.65Å; L905-L954 PolarHBondContact O-N 2.8Å; I908-L954 HydrophobicContact CG2-CD1 4.39Å; L911-L954 HydrophobicContact CD2-CD2 3.79Å; L911-L954 HydrophobicContact CG-CD2 4.44Å; F945-L954 HydrophobicContact CD1-CD1 3.86Å; F945-L954 HydrophobicContact CE1-CD1 3.87Å; F945-L954 HydrophobicContact CE1-CG 4.31Å
955	H	96.4	Very high	89.4	Confident	6 Å²	6	32.2 Å²	32.2	3%	0.028	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.3	177.1	55	-87	0	0	0	111	T897 A898 I899 Y951 H953 H957	T897-H955 HydrophobicContact CG2-CB 3.98Å; A898-H955 CarbonylContact O-C 3.55Å; A898-H955 WeakPolarHBondContact O-CA 3.33Å; A898-H955 VanDerWaalsContact O-CB 3.23Å; A898-H955 WeakPolarHBondContact O-CB 3.31Å; I899-H955 HydrophobicContact CG1-CB 4.15Å; Y951-H955 AromaticContact CD2-CE1 3.91Å; Y951-H955 AromaticContact CD2-ND1 3.84Å; Y951-H955 AromaticContact CE2-CE1 3.58Å; Y951-H955 AromaticContact CE2-CG 3.96Å; Y951-H955 AromaticContact CE2-ND1 3.26Å; Y951-H955 VanDerWaalsContact CE2-ND1 3.26Å; Y951-H955 WeakPolarHBondContact CE2-ND1 3.42Å; Y951-H955 AromaticContact CZ-CE1 3.63Å; Y951-H955 AromaticContact CZ-CG 3.97Å; Y951-H955 AromaticContact CZ-ND1 3.59Å; H953-H955 PolarHBondContact O-N 3.35Å; H953-H955 PolarHBondContact O-ND1 3.36Å; H955-H957 AromaticContact CD2-CE1 3.94Å; H955-H957 AromaticContact CD2-NE2 3.35Å; H955-H957 PolarHBondContact CD2-NE2 3.2Å; H955-H957 VanDerWaalsContact CD2-NE2 3.35Å; H955-H957 AromaticContact NE2-NE2 3.6Å
956	V	97.1	Very high	88.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134	-177.1	-172.3	0	0	0	0	109.1	T897 A898 L922 I943 F945 F958 F976	T897-V956 CarbonylContact C-O 3.52Å; T897-V956 WeakPolarHBondContact CA-O 3.41Å; A898-V956 HydrophobicContact CB-CB 4.32Å; A898-V956 PolarHBondContact N-O 2.65Å; A898-V956 PolarHBondContact O-N 2.88Å; L922-V956 HydrophobicContact CD1-CB 4.39Å; L922-V956 HydrophobicContact CD1-CG2 3.71Å; L922-V956 HydrophobicContact CD2-CB 3.98Å; L922-V956 HydrophobicContact CD2-CG1 4.12Å; L922-V956 HydrophobicContact CD2-CG2 3.82Å; L922-V956 HydrophobicContact CG-CG2 4.47Å; I943-V956 HydrophobicContact CG2-CG1 3.65Å; F945-V956 HydrophobicContact CD1-CG2 3.96Å; F945-V956 HydrophobicContact CE1-CG2 3.39Å; F945-V956 HydrophobicContact CE2-CG2 4.49Å; F945-V956 HydrophobicContact CZ-CG2 3.69Å; V956-F958 HydrophobicContact CB-CE2 4.03Å; V956-F958 HydrophobicContact CG1-CD2 4.34Å; V956-F958 HydrophobicContact CG1-CE2 3.77Å; V956-F958 HydrophobicContact CG1-CZ 4.25Å; V956-F976 HydrophobicContact CG1-CD2 3.75Å; V956-F976 HydrophobicContact CG1-CE2 4.27Å; V956-F976 HydrophobicContact CG2-CD2 4.42Å; V956-F976 HydrophobicContact CG2-CE2 4.32Å
957	H	95.8	Very high	87.3	Confident	11 Å²	11	34.8 Å²	34.8	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.5	175.6	-67.9	-74.4	0	0	0	110.8	L896 T897 I943 Y944 H946 H955	L896-H957 WeakPolarHBondContact O-CA 3.49Å; T897-H957 PolarHBondContact OG1-CE1 2.88Å; T897-H957 PolarHBondContact OG1-ND1 3.25Å; I943-H957 VanDerWaalsContact CA-O 3.31Å; I943-H957 WeakPolarHBondContact CA-O 3.33Å; Y944-H957 HydrophobicContact CD1-CB 4.13Å; Y944-H957 HydrophobicContact CD2-CB 4.29Å; Y944-H957 HydrophobicContact CE1-CB 3.64Å; Y944-H957 HydrophobicContact CE2-CB 3.84Å; Y944-H957 HydrophobicContact CG-CB 4.42Å; Y944-H957 VanDerWaalsContact CZ-CB 3.47Å; Y944-H957 PolarHBondContact N-O 3.12Å; Y944-H957 PolarHBondContact O-N 2.95Å; H946-H957 AromaticContact CE1-CD2 3.36Å; H946-H957 PolarHBondContact CE1-CD2 3.21Å; H946-H957 AromaticContact CE1-NE2 3.2Å; H946-H957 PolarHBondContact CE1-NE2 3.04Å; H946-H957 AromaticContact ND1-CD2 3.31Å; H946-H957 PolarHBondContact ND1-CD2 3.05Å; H946-H957 VanDerWaalsContact ND1-CD2 3.31Å; H946-H957 AromaticContact ND1-NE2 3Å; H946-H957 PolarHBondContact ND1-NE2 3.4Å; H955-H957 AromaticContact CD2-CE1 3.94Å; H955-H957 AromaticContact CD2-NE2 3.35Å; H955-H957 PolarHBondContact CD2-NE2 3.2Å; H955-H957 VanDerWaalsContact CD2-NE2 3.35Å; H955-H957 AromaticContact NE2-NE2 3.6Å
958	F	95.3	Very high	86.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	106.5	173.8	-67.9	-103.8	0	0	0	107.9	L880 L896 A898 L922 C926 T927 I930 M941 I943 V956	L880-F958 HydrophobicContact CD1-CD2 4.18Å; L896-F958 HydrophobicContact CB-CB 4.16Å; L896-F958 PolarHBondContact N-O 3.4Å; L896-F958 PolarHBondContact O-N 3.07Å; A898-F958 HydrophobicContact CB-CD2 4.4Å; A898-F958 HydrophobicContact CB-CE2 3.8Å; L922-F958 HydrophobicContact CD2-CE2 3.81Å; L922-F958 HydrophobicContact CD2-CZ 3.56Å; C926-F958 HydrophobicContact CB-CD1 4.16Å; C926-F958 HydrophobicContact CB-CE1 3.4Å; C926-F958 HydrophobicContact CB-CE2 3.88Å; C926-F958 HydrophobicContact CB-CZ 3.24Å; T927-F958 HydrophobicContact CG2-CE1 4.47Å; I930-F958 HydrophobicContact CD1-CB 3.81Å; I930-F958 HydrophobicContact CD1-CD1 3.66Å; I930-F958 HydrophobicContact CD1-CE1 4.45Å; I930-F958 HydrophobicContact CD1-CG 3.86Å; M941-F958 HydrophobicContact SD-CD1 4.25Å; I943-F958 HydrophobicContact CB-CD1 4.42Å; I943-F958 HydrophobicContact CB-CE1 4.45Å; I943-F958 HydrophobicContact CD1-CD1 3.87Å; I943-F958 HydrophobicContact CD1-CE1 3.69Å; I943-F958 HydrophobicContact CG1-CD1 3.71Å; I943-F958 HydrophobicContact CG1-CE1 3.94Å; I943-F958 HydrophobicContact CG2-CD1 3.91Å; I943-F958 HydrophobicContact CG2-CD2 4.49Å; I943-F958 HydrophobicContact CG2-CE1 3.64Å; I943-F958 HydrophobicContact CG2-CE2 4.24Å; I943-F958 HydrophobicContact CG2-CG 4.31Å; I943-F958 HydrophobicContact CG2-CZ 3.8Å; V956-F958 HydrophobicContact CB-CE2 4.03Å; V956-F958 HydrophobicContact CG1-CD2 4.34Å; V956-F958 HydrophobicContact CG1-CE2 3.77Å; V956-F958 HydrophobicContact CG1-CZ 4.25Å
959	T	93.8	Very high	86.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148	179.4	61.5	0	0	0	0	110.4	M894 D895 M941 R942 Y944	M894-T959 VanDerWaalsContact O-CA 3.25Å; M894-T959 WeakPolarHBondContact O-CA 3.34Å; D895-T959 HydrophobicContact CB-CG2 4.31Å; M941-T959 CarbonylContact C-O 3.47Å; M941-T959 VanDerWaalsContact CA-O 3.3Å; M941-T959 WeakPolarHBondContact CA-O 2.96Å; R942-T959 PolarHBondContact N-O 3.47Å; R942-T959 PolarHBondContact O-N 3.29Å; R942-T959 PolarHBondContact O-OG1 2.92Å; Y944-T959 HydrophobicContact CE1-CG2 3.96Å
960	Y	92.8	Very high	86.2	Confident	21 Å²	21	40.3 Å²	40.3	8%	0.082	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	146	169.3	-168.3	-112.5	0	0	0	110.2	K891 M894 V936 E940 K962 E963	K891-Y960 WeakPolarHBondContact O-CB 3.35Å; M894-Y960 PolarHBondContact O-N 3.31Å; M894-Y960 VanDerWaalsContact O-N 3.11Å; V936-Y960 HydrophobicContact CG1-CD2 3.77Å; V936-Y960 HydrophobicContact CG1-CE2 4.05Å; V936-Y960 HydrophobicContact CG2-CD2 4.19Å; V936-Y960 HydrophobicContact CG2-CE2 4.36Å; E940-Y960 HydrophobicContact CB-CD2 4.41Å; E940-Y960 HydrophobicContact CB-CE2 3.86Å; E940-Y960 WeakPolarHBondContact O-CD2 3.26Å; E940-Y960 PolarHBondContact OE1-OH 2.76Å; Y960-K962 HydrophobicContact CD1-CB 3.82Å; Y960-K962 HydrophobicContact CD1-CG 4.32Å; Y960-K962 HydrophobicContact CE1-CB 3.93Å; Y960-K962 HydrophobicContact CE1-CD 4.13Å; Y960-K962 HydrophobicContact CE1-CG 3.93Å; Y960-K962 PolarHBondContact O-N 3.12Å; Y960-E963 WeakPolarHBondContact O-CB 3.33Å; Y960-E963 PolarHBondContact O-N 2.81Å
961	L	87.7	Confident	86.3	Confident	89 Å²	89	37.2 Å²	37.2	47%	0.466	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.6	-171.1	-161	74.7	0	0	0	113	E940 R942 E963	E940-L961 WeakPolarHBondContact O-CB 3.06Å; E940-L961 PolarHBondContact O-N 3.48Å; R942-L961 HydrophobicContact CB-CD1 4.34Å; R942-L961 PolarHBondContact NH2-O 2.82Å; R942-L961 VanDerWaalsContact NH2-O 3.11Å; L961-E963 VanDerWaalsContact C-N 3.34Å
962	K	81.2	Confident	86.3	Confident	164 Å²	164	39 Å²	39	71%	0.713	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.2	176.5	-67.5	-171.6	178.4	177.9	0	113.7	Y960 W964	Y960-K962 HydrophobicContact CD1-CB 3.82Å; Y960-K962 HydrophobicContact CD1-CG 4.32Å; Y960-K962 HydrophobicContact CE1-CB 3.93Å; Y960-K962 HydrophobicContact CE1-CD 4.13Å; Y960-K962 HydrophobicContact CE1-CG 3.93Å; Y960-K962 PolarHBondContact O-N 3.12Å; K962-W964 PolarHBondContact O-N 3.31Å
963	E	78.9	Confident	86.4	Confident	39 Å²	39	37.7 Å²	37.7	18%	0.182	20%	0.203	C	C	.	.			trans	-72.2	121.8	174.9	-178.8	55.1	-157.6	0	0	108.6	E892 Q893 R942 Y960 L961	E892-E963 WeakPolarHBondContact O-CB 3.3Å; Q893-E963 WeakPolarHBondContact CA-OE2 3.28Å; R942-E963 PolarHBondContact NH1-O 2.83Å; Y960-E963 WeakPolarHBondContact O-CB 3.33Å; Y960-E963 PolarHBondContact O-N 2.81Å; L961-E963 VanDerWaalsContact C-N 3.34Å
964	W	70.2	Confident	86.5	Confident	123 Å²	123	38.9 Å²	38.9	47%	0.466	21%	0.209	S	C	.	.			trans	-118.8	130.7	176.2	-177.9	83	0	0	0	110	D700 M701 K962	D700-W964 HydrophobicContact CB-CH2 3.95Å; D700-W964 HydrophobicContact CB-CZ3 4.22Å; M701-W964 HydrophobicContact CG-CZ3 4.27Å; M701-W964 HydrophobicContact SD-CE3 3.97Å; M701-W964 HydrophobicContact SD-CH2 4.08Å; M701-W964 HydrophobicContact SD-CZ3 3.33Å; M701-W964 WeakPolarHBondContact SD-CZ3 3.42Å; K962-W964 PolarHBondContact O-N 3.31Å
965	N	73.1	Confident	86.5	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.043	23%	0.227	C	C	.	.			trans	-145.3	160.9	172	63.8	63.1	0	0	0	110.2	M701 G967 T968	M701-N965 HydrophobicContact CE-CB 4.47Å; N965-G967 PolarHBondContact O-N 3.02Å; N965-G967 WeakPolarHBondContact OD1-CA 3.46Å; N965-G967 PolarHBondContact OD1-N 3Å; N965-T968 WeakPolarHBondContact O-CB 3.14Å; N965-T968 PolarHBondContact O-N 3.1Å; N965-T968 PolarHBondContact O-OG1 2.95Å; N965-T968 PolarHBondContact OD1-N 3.2Å
966	I	70.9	Confident	86.5	Confident	56 Å²	56	42.5 Å²	42.5	29%	0.287	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-54.5	-24.6	178.3	-71.7	170	0	0	0	112.8	M701 T968 A969	M701-I966 HydrophobicContact CE-CB 4.37Å; M701-I966 HydrophobicContact CE-CD1 3.95Å; M701-I966 HydrophobicContact CE-CG1 3.86Å; M701-I966 HydrophobicContact CG-CD1 3.82Å; M701-I966 HydrophobicContact CG-CG1 4.16Å; M701-I966 HydrophobicContact SD-CD1 4.25Å; M701-I966 HydrophobicContact SD-CG1 4Å; I966-T968 PolarHBondContact O-N 2.81Å; I966-A969 VanDerWaalsContact O-CB 3.29Å; I966-A969 WeakPolarHBondContact O-CB 3.41Å; I966-A969 PolarHBondContact O-N 3.04Å
967	G	77.2	Confident	86.5	Confident	7 Å²	7	45.7 Å²	45.7	7%	0.072	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.5	-32.1	173.4	0	0	0	0	0	113.2	H946 N965 A969 A973	H946-G967 PolarHBondContact CD2-O 3.46Å; H946-G967 VanDerWaalsContact CD2-O 3.27Å; H946-G967 WeakPolarHBondContact NE2-CA 3.14Å; H946-G967 PolarHBondContact NE2-O 2.88Å; N965-G967 PolarHBondContact O-N 3.02Å; N965-G967 WeakPolarHBondContact OD1-CA 3.46Å; N965-G967 PolarHBondContact OD1-N 3Å; G967-A969 VanDerWaalsContact C-N 3.28Å; G967-A969 PolarHBondContact O-N 3.22Å; G967-A973 WeakPolarHBondContact O-CB 3.49Å
968	T	83.5	Confident	86.5	Confident	19 Å²	19	48.7 Å²	48.7	12%	0.117	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-80.2	-2.1	178.8	66.7	0	0	0	0	114.5	Y944 N965 I966	Y944-T968 HydrophobicContact CE1-CG2 3.83Å; Y944-T968 HydrophobicContact CE2-CG2 4.25Å; Y944-T968 WeakPolarHBondContact OH-CG2 3.23Å; N965-T968 WeakPolarHBondContact O-CB 3.14Å; N965-T968 PolarHBondContact O-N 3.1Å; N965-T968 PolarHBondContact O-OG1 2.95Å; N965-T968 PolarHBondContact OD1-N 3.2Å; I966-T968 PolarHBondContact O-N 2.81Å
969	A	83.1	Confident	86.6	Confident	36 Å²	36	48.7 Å²	48.7	30%	0.298	27%	0.27	S	S	.	.	S	Bend	trans	-66	148	-176.7	0	0	0	0	0	112.6	I966 G967 R972 A973	I966-A969 VanDerWaalsContact O-CB 3.29Å; I966-A969 WeakPolarHBondContact O-CB 3.41Å; I966-A969 PolarHBondContact O-N 3.04Å; G967-A969 VanDerWaalsContact C-N 3.28Å; G967-A969 PolarHBondContact O-N 3.22Å; A969-R972 PolarHBondContact O-N 3.12Å; A969-A973 PolarHBondContact O-N 3.27Å
970	A	83.9	Confident	86.8	Confident	96 Å²	96	49.4 Å²	49.4	79%	0.793	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	137	173.4	0	0	0	0	0	110.7	R972	A970-R972 VanDerWaalsContact C-N 3.28Å
971	G	82.2	Confident	87.1	Confident	18 Å²	18	53.8 Å²	53.8	19%	0.186	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	10.8	-171.5	0	0	0	0	0	113.9	F997 T998	G971-F997 WeakPolarHBondContact O-CA 3.29Å; G971-F997 WeakPolarHBondContact O-CB 3.42Å; G971-T998 PolarHBondContact O-N 3.1Å
972	R	88	Confident	87.6	Confident	71 Å²	71	51.2 Å²	51.2	27%	0.268	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-47.2	169.3	-164.5	175	-177.2	179.9	-0.2	111.2	H946 Y947 A969 A970	H946-R972 CarbonylContact C-O 3.53Å; H946-R972 VanDerWaalsContact CA-O 3.27Å; H946-R972 WeakPolarHBondContact CA-O 3.22Å; Y947-R972 PolarHBondContact N-O 3.11Å; A969-R972 PolarHBondContact O-N 3.12Å; A970-R972 VanDerWaalsContact C-N 3.28Å
973	A	93.2	Very high	88.4	Confident	22 Å²	22	43.5 Å²	43.5	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.7	173.9	0	0	0	0	0	112.2	Y944 F945 G967 A969	Y944-A973 HydrophobicContact CD2-CB 3.54Å; Y944-A973 HydrophobicContact CE2-CB 4.17Å; Y944-A973 HydrophobicContact CG-CB 4.09Å; F945-A973 CarbonylContact O-C 3.46Å; F945-A973 WeakPolarHBondContact O-CA 3.46Å; G967-A973 WeakPolarHBondContact O-CB 3.49Å; A969-A973 PolarHBondContact O-N 3.27Å
974	H	95.4	Very high	89.3	Confident	26 Å²	26	47 Å²	47	12%	0.12	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.7	168.3	-65.7	-87.3	0	0	0	108.7	I908 Y944 F945 F976 V979	I908-H974 HydrophobicContact CD1-CB 3.98Å; I908-H974 VanDerWaalsContact CD1-CD2 3.45Å; I908-H974 WeakPolarHBondContact CD1-CD2 3.19Å; Y944-H974 CarbonylContact C-O 3.35Å; Y944-H974 WeakPolarHBondContact CA-O 3.16Å; Y944-H974 VanDerWaalsContact CB-O 3.31Å; Y944-H974 WeakPolarHBondContact CB-O 3.45Å; F945-H974 PolarHBondContact N-O 3.43Å; F945-H974 PolarHBondContact O-N 3.26Å; H974-F976 PolarHBondContact O-N 2.86Å; H974-V979 HydrophobicContact CB-CG2 4.04Å
975	L	96.2	Very high	90.5	Very high	78 Å²	78	46.8 Å²	46.8	41%	0.408	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138.1	-176.8	-65.6	177.8	0	0	0	110.7	R942 A977 D978 V979	R942-L975 HydrophobicContact CG-CD2 4.13Å; L975-A977 VanDerWaalsContact C-N 3.3Å; L975-A977 PolarHBondContact O-N 3.46Å; L975-D978 HydrophobicContact CB-CB 4.3Å; L975-D978 PolarHBondContact O-N 3.16Å; L975-V979 WeakPolarHBondContact O-CG2 3.27Å; L975-V979 PolarHBondContact O-N 3.3Å
976	F	97.6	Very high	91.7	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.035	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-43.3	-177.2	-175.1	-82.8	0	0	0	112.1	L919 L922 W923 I943 F945 V956 H974 D978 V979 V980	L919-F976 HydrophobicContact CB-CE2 4.47Å; L919-F976 HydrophobicContact CB-CZ 3.83Å; L919-F976 HydrophobicContact CD2-CE2 4.07Å; L919-F976 HydrophobicContact CD2-CZ 4.27Å; L919-F976 VanDerWaalsContact O-CZ 3.31Å; L919-F976 WeakPolarHBondContact O-CZ 3.15Å; L922-F976 HydrophobicContact CD2-CE2 3.89Å; L922-F976 HydrophobicContact CD2-CZ 4.41Å; W923-F976 HydrophobicContact CB-CE1 3.72Å; W923-F976 HydrophobicContact CB-CZ 3.97Å; W923-F976 AromaticContact CD1-CD1 3.92Å; W923-F976 AromaticContact CD1-CE1 3.81Å; W923-F976 HydrophobicContact CG-CE1 4.07Å; I943-F976 HydrophobicContact CB-CB 3.92Å; I943-F976 HydrophobicContact CG2-CB 3.65Å; I943-F976 HydrophobicContact CG2-CD2 4.02Å; I943-F976 HydrophobicContact CG2-CG 3.88Å; I943-F976 WeakPolarHBondContact O-CB 3.23Å; I943-F976 PolarHBondContact O-N 3.19Å; F945-F976 HydrophobicContact CD2-CD2 4.34Å; F945-F976 HydrophobicContact CE2-CB 4.25Å; F945-F976 AromaticContact CE2-CD2 3.35Å; F945-F976 HydrophobicContact CE2-CD2 3.35Å; F945-F976 AromaticContact CE2-CE2 3.92Å; F945-F976 HydrophobicContact CE2-CE2 3.92Å; F945-F976 HydrophobicContact CE2-CG 4.08Å; F945-F976 AromaticContact CZ-CD2 3.63Å; F945-F976 HydrophobicContact CZ-CD2 3.63Å; F945-F976 AromaticContact CZ-CE2 3.74Å; F945-F976 HydrophobicContact CZ-CE2 3.74Å; V956-F976 HydrophobicContact CG1-CD2 3.75Å; V956-F976 HydrophobicContact CG1-CE2 4.27Å; V956-F976 HydrophobicContact CG2-CD2 4.42Å; V956-F976 HydrophobicContact CG2-CE2 4.32Å; H974-F976 PolarHBondContact O-N 2.86Å; F976-D978 PolarHBondContact O-N 2.86Å; F976-V979 PolarHBondContact O-N 3.5Å; F976-V980 HydrophobicContact CD1-CG2 4.01Å; F976-V980 HydrophobicContact CE1-CG2 3.58Å; F976-V980 HydrophobicContact CZ-CG2 4.11Å; F976-V980 WeakPolarHBondContact O-CG2 3.31Å; F976-V980 PolarHBondContact O-N 3.24Å
977	A	96	Very high	92.8	Very high	67 Å²	67	47.6 Å²	47.6	55%	0.554	29%	0.288	S	S	*	.	H	α-helix	trans	-60.5	-44.7	177.5	0	0	0	0	0	111.9	L975 V979 V980 Q981	L975-A977 VanDerWaalsContact C-N 3.3Å; L975-A977 PolarHBondContact O-N 3.46Å; A977-V979 VanDerWaalsContact C-N 3.34Å; A977-V979 PolarHBondContact O-N 2.7Å; A977-V980 PolarHBondContact O-N 3.41Å; A977-Q981 WeakPolarHBondContact O-CB 3.31Å; A977-Q981 PolarHBondContact O-N 2.96Å
978	D	97.1	Very high	93.7	Very high	74 Å²	74	50.3 Å²	50.3	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-39.8	177.5	-60.7	-12.4	0	0	0	111.3	L975 F976 Q981 N982	L975-D978 HydrophobicContact CB-CB 4.3Å; L975-D978 PolarHBondContact O-N 3.16Å; F976-D978 PolarHBondContact O-N 2.86Å; D978-Q981 PolarHBondContact O-N 3.01Å; D978-N982 WeakPolarHBondContact O-CB 3.15Å; D978-N982 PolarHBondContact O-N 3.44Å; D978-N982 PolarHBondContact O-ND2 2.88Å; D978-N982 VanDerWaalsContact O-ND2 3.11Å
979	V	97.7	Very high	94.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-48	175.3	173.3	0	0	0	0	111.2	L911 L919 F945 H974 L975 F976 A977 L983 Y990	L911-V979 HydrophobicContact CD1-CG1 3.73Å; L919-V979 HydrophobicContact CD1-CG1 4.41Å; F945-V979 HydrophobicContact CD2-CB 4.21Å; F945-V979 HydrophobicContact CD2-CG1 4.39Å; F945-V979 HydrophobicContact CD2-CG2 3.76Å; F945-V979 HydrophobicContact CE2-CB 3.95Å; F945-V979 HydrophobicContact CE2-CG1 3.94Å; F945-V979 HydrophobicContact CE2-CG2 4.03Å; F945-V979 HydrophobicContact CZ-CG1 4.41Å; H974-V979 HydrophobicContact CB-CG2 4.04Å; L975-V979 WeakPolarHBondContact O-CG2 3.27Å; L975-V979 PolarHBondContact O-N 3.3Å; F976-V979 PolarHBondContact O-N 3.5Å; A977-V979 VanDerWaalsContact C-N 3.34Å; A977-V979 PolarHBondContact O-N 2.7Å; V979-L983 HydrophobicContact CG1-CD1 4.05Å; V979-L983 VanDerWaalsContact O-CG 3.31Å; V979-L983 WeakPolarHBondContact O-CG 3.38Å; V979-L983 PolarHBondContact O-N 3.33Å; V979-L983 VanDerWaalsContact O-N 3.12Å; V979-Y990 VanDerWaalsContact CA-OH 3.31Å; V979-Y990 WeakPolarHBondContact CA-OH 3.28Å; V979-Y990 HydrophobicContact CB-CE2 4.16Å; V979-Y990 HydrophobicContact CG1-CE2 3.82Å; V979-Y990 HydrophobicContact CG2-CE2 4.19Å; V979-Y990 WeakPolarHBondContact CG2-OH 3.17Å
980	V	98.1	Very high	95	Very high	15 Å²	15	51.1 Å²	51.1	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-49.6	177	169.8	0	0	0	0	111.1	L916 L919 Y920 F976 A977 N982 L983 Q984	L916-V980 HydrophobicContact CD2-CG1 4.07Å; L919-V980 HydrophobicContact CB-CG2 4.12Å; L919-V980 HydrophobicContact CD1-CG2 3.93Å; Y920-V980 HydrophobicContact CE1-CG1 3.71Å; F976-V980 HydrophobicContact CD1-CG2 4.01Å; F976-V980 HydrophobicContact CE1-CG2 3.58Å; F976-V980 HydrophobicContact CZ-CG2 4.11Å; F976-V980 WeakPolarHBondContact O-CG2 3.31Å; F976-V980 PolarHBondContact O-N 3.24Å; A977-V980 PolarHBondContact O-N 3.41Å; V980-N982 PolarHBondContact O-N 3.49Å; V980-L983 PolarHBondContact O-N 3.44Å; V980-Q984 HydrophobicContact CG1-CG 4.46Å; V980-Q984 WeakPolarHBondContact O-CG 3.42Å; V980-Q984 PolarHBondContact O-N 3.12Å
981	Q	97.9	Very high	95.5	Very high	113 Å²	113	47.6 Å²	47.6	53%	0.528	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-40	-178.2	-173.1	177.4	7.5	0	0	112.4	A977 D978 Q984 T985	A977-Q981 WeakPolarHBondContact O-CB 3.31Å; A977-Q981 PolarHBondContact O-N 2.96Å; D978-Q981 PolarHBondContact O-N 3.01Å; Q981-Q984 PolarHBondContact O-N 2.93Å; Q981-T985 WeakPolarHBondContact O-CB 3.35Å; Q981-T985 PolarHBondContact O-N 3.43Å; Q981-T985 PolarHBondContact O-OG1 2.88Å
982	N	98.2	Very high	96.1	Very high	36 Å²	36	52.5 Å²	52.5	19%	0.193	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-43	176.8	-74.5	-21.5	0	0	0	111.4	D978 V980 T985 D986 Y989 Y990	D978-N982 WeakPolarHBondContact O-CB 3.15Å; D978-N982 PolarHBondContact O-N 3.44Å; D978-N982 PolarHBondContact O-ND2 2.88Å; D978-N982 VanDerWaalsContact O-ND2 3.11Å; V980-N982 PolarHBondContact O-N 3.49Å; N982-T985 PolarHBondContact O-N 2.86Å; N982-D986 PolarHBondContact O-N 2.72Å; N982-D986 VanDerWaalsContact O-O 3.14Å; N982-Y989 HydrophobicContact CB-CD1 3.55Å; N982-Y989 HydrophobicContact CB-CD2 4.31Å; N982-Y989 HydrophobicContact CB-CE1 3.78Å; N982-Y989 HydrophobicContact CB-CG 3.82Å; N982-Y989 WeakPolarHBondContact ND2-CE1 3.45Å; N982-Y990 HydrophobicContact CB-CE2 3.97Å; N982-Y990 PolarHBondContact ND2-OH 3.08Å
983	L	98	Very high	96.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-69.5	-31.6	176.5	-70.2	170	0	0	0	113.2	L911 L916 L919 V979 V980 T985 D986 G987 Y990	L911-L983 HydrophobicContact CB-CD1 3.81Å; L911-L983 HydrophobicContact CB-CD2 4.35Å; L911-L983 HydrophobicContact CD1-CD1 4.33Å; L916-L983 HydrophobicContact CD2-CB 4.07Å; L919-L983 HydrophobicContact CD1-CD1 3.94Å; V979-L983 HydrophobicContact CG1-CD1 4.05Å; V979-L983 VanDerWaalsContact O-CG 3.31Å; V979-L983 WeakPolarHBondContact O-CG 3.38Å; V979-L983 PolarHBondContact O-N 3.33Å; V979-L983 VanDerWaalsContact O-N 3.12Å; V980-L983 PolarHBondContact O-N 3.44Å; L983-T985 VanDerWaalsContact C-N 3.32Å; L983-D986 WeakPolarHBondContact CA-O 3.42Å; L983-D986 CarbonylContact O-C 3.45Å; L983-G987 WeakPolarHBondContact O-CA 3.45Å; L983-G987 PolarHBondContact O-N 3.38Å; L983-Y990 HydrophobicContact CD2-CD2 3.95Å; L983-Y990 HydrophobicContact CG-CD2 4.1Å; L983-Y990 HydrophobicContact CG-CE2 4.23Å
984	Q	97.3	Very high	96.3	Very high	114 Å²	114	53.2 Å²	53.2	53%	0.533	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-34.9	171.7	-74	175.4	-44.1	0	0	111.9	L916 Y920 V980 Q981	L916-Q984 HydrophobicContact CD1-CG 3.93Å; L916-Q984 HydrophobicContact CD2-CG 4.18Å; Y920-Q984 PolarHBondContact OH-NE2 3.37Å; V980-Q984 HydrophobicContact CG1-CG 4.46Å; V980-Q984 WeakPolarHBondContact O-CG 3.42Å; V980-Q984 PolarHBondContact O-N 3.12Å; Q981-Q984 PolarHBondContact O-N 2.93Å
985	T	96.3	Very high	96.1	Very high	117 Å²	117	52 Å²	52	72%	0.718	28%	0.279	S	S	*	.	H	α-helix	trans	-80.7	-43.8	-177.9	-53.1	0	0	0	0	111.8	Q981 N982 L983	Q981-T985 WeakPolarHBondContact O-CB 3.35Å; Q981-T985 PolarHBondContact O-N 3.43Å; Q981-T985 PolarHBondContact O-OG1 2.88Å; N982-T985 PolarHBondContact O-N 2.86Å; L983-T985 VanDerWaalsContact C-N 3.32Å
986	D	97.5	Very high	95.8	Very high	58 Å²	58	52.2 Å²	52.2	31%	0.31	28%	0.275	S	S	.	.			trans	-137.7	112.6	173.3	172.7	7.5	0	0	0	108.8	N982 L983 D988 Y989 K992	N982-D986 PolarHBondContact O-N 2.72Å; N982-D986 VanDerWaalsContact O-O 3.14Å; L983-D986 WeakPolarHBondContact CA-O 3.42Å; L983-D986 CarbonylContact O-C 3.45Å; D986-D988 PolarHBondContact O-N 3.4Å; D986-D988 PolarHBondContact OD1-N 3.42Å; D986-Y989 HydrophobicContact CB-CD2 4.33Å; D986-Y989 VanDerWaalsContact O-CB 3.24Å; D986-Y989 WeakPolarHBondContact O-CB 3.37Å; D986-Y989 PolarHBondContact O-N 3.22Å; D986-K992 IonicContact OD1-NZ 2.76Å
987	G	94.7	Very high	95.4	Very high	24 Å²	24	51.9 Å²	51.9	25%	0.247	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.1	-175.6	0	0	0	0	0	115.1	R912 A913 L983	R912-G987 CarbonylContact C-O 3.56Å; R912-G987 WeakPolarHBondContact CA-O 3.45Å; A913-G987 PolarHBondContact N-O 2.96Å; L983-G987 WeakPolarHBondContact O-CA 3.45Å; L983-G987 PolarHBondContact O-N 3.38Å
988	D	95.6	Very high	95	Very high	64 Å²	64	51 Å²	51	34%	0.342	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	14.8	175.4	-62.6	-50.5	0	0	0	112.8	R912 D986 Y990 A991 K992	R912-D988 VanDerWaalsContact CD-OD1 3.23Å; R912-D988 WeakPolarHBondContact CD-OD1 3.27Å; R912-D988 IonicContact NE-OD1 3.17Å; R912-D988 PolarHBondContact NE-OD1 3.38Å; D986-D988 PolarHBondContact O-N 3.4Å; D986-D988 PolarHBondContact OD1-N 3.42Å; D988-Y990 VanDerWaalsContact C-N 3.31Å; D988-Y990 PolarHBondContact O-N 2.98Å; D988-Y990 VanDerWaalsContact O-N 3.12Å; D988-A991 HydrophobicContact CB-CB 4.18Å; D988-A991 WeakPolarHBondContact O-CA 3.14Å; D988-A991 WeakPolarHBondContact O-CB 3.38Å; D988-A991 PolarHBondContact O-N 3.47Å; D988-K992 HydrophobicContact CB-CD 3.9Å; D988-K992 VanDerWaalsContact CB-CE 3.41Å; D988-K992 HydrophobicContact CB-CG 4.19Å; D988-K992 PolarHBondContact O-N 3.12Å; D988-K992 VanDerWaalsContact O-N 3.1Å; D988-K992 WeakPolarHBondContact OD2-CE 3.35Å; D988-K992 IonicContact OD2-NZ 2.79Å; D988-K992 PolarHBondContact OD2-NZ 3.06Å
989	Y	97.6	Very high	94.5	Very high	69 Å²	69	48 Å²	48	27%	0.271	25%	0.245	S	C	.	.	H	α-helix	trans	-47.2	-50.4	-168.5	-177.5	-94.9	0	0	0	113.6	N982 D986 A991 K992 R993	N982-Y989 HydrophobicContact CB-CD1 3.55Å; N982-Y989 HydrophobicContact CB-CD2 4.31Å; N982-Y989 HydrophobicContact CB-CE1 3.78Å; N982-Y989 HydrophobicContact CB-CG 3.82Å; N982-Y989 WeakPolarHBondContact ND2-CE1 3.45Å; D986-Y989 HydrophobicContact CB-CD2 4.33Å; D986-Y989 VanDerWaalsContact O-CB 3.24Å; D986-Y989 WeakPolarHBondContact O-CB 3.37Å; D986-Y989 PolarHBondContact O-N 3.22Å; Y989-A991 VanDerWaalsContact C-N 3.33Å; Y989-A991 PolarHBondContact O-N 3.4Å; Y989-K992 PolarHBondContact O-N 2.97Å; Y989-R993 VanDerWaalsContact CE1-CD 3.45Å; Y989-R993 WeakPolarHBondContact O-CB 3.24Å; Y989-R993 PolarHBondContact O-N 2.91Å
990	Y	97	Very high	93.9	Very high	3 Å²	3	52 Å²	52	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-73.3	-24.9	-179.3	-71.3	-75	0	0	0	113.5	I908 R909 V979 N982 L983 D988 K992 M995	I908-Y990 HydrophobicContact CD1-CD1 4.21Å; I908-Y990 HydrophobicContact CD1-CE1 4.08Å; I908-Y990 HydrophobicContact CG1-CD1 4.47Å; I908-Y990 WeakPolarHBondContact O-CB 3.12Å; R909-Y990 VanDerWaalsContact CD-O 3.24Å; R909-Y990 WeakPolarHBondContact CD-O 3.31Å; R909-Y990 PolarHBondContact NH1-O 2.7Å; V979-Y990 VanDerWaalsContact CA-OH 3.31Å; V979-Y990 WeakPolarHBondContact CA-OH 3.28Å; V979-Y990 HydrophobicContact CB-CE2 4.16Å; V979-Y990 HydrophobicContact CG1-CE2 3.82Å; V979-Y990 HydrophobicContact CG2-CE2 4.19Å; V979-Y990 WeakPolarHBondContact CG2-OH 3.17Å; N982-Y990 HydrophobicContact CB-CE2 3.97Å; N982-Y990 PolarHBondContact ND2-OH 3.08Å; L983-Y990 HydrophobicContact CD2-CD2 3.95Å; L983-Y990 HydrophobicContact CG-CD2 4.1Å; L983-Y990 HydrophobicContact CG-CE2 4.23Å; D988-Y990 VanDerWaalsContact C-N 3.31Å; D988-Y990 PolarHBondContact O-N 2.98Å; D988-Y990 VanDerWaalsContact O-N 3.12Å; Y990-K992 VanDerWaalsContact C-N 3.34Å; Y990-M995 HydrophobicContact CD1-CE 4.32Å; Y990-M995 HydrophobicContact CD1-SD 3.98Å; Y990-M995 HydrophobicContact CE1-SD 4.43Å
991	A	94.5	Very high	93.2	Very high	22 Å²	22	55.1 Å²	55.1	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-35.7	174	0	0	0	0	0	112.2	P833 R912 D988 Y989	P833-A991 WeakPolarHBondContact CB-O 3.42Å; R912-A991 VanDerWaalsContact NH2-CB 3.33Å; D988-A991 HydrophobicContact CB-CB 4.18Å; D988-A991 WeakPolarHBondContact O-CA 3.14Å; D988-A991 WeakPolarHBondContact O-CB 3.38Å; D988-A991 PolarHBondContact O-N 3.47Å; Y989-A991 VanDerWaalsContact C-N 3.33Å; Y989-A991 PolarHBondContact O-N 3.4Å
992	K	94.5	Very high	92.4	Very high	120 Å²	120	52.8 Å²	52.8	52%	0.522	27%	0.265	S	S	.	.	H	α-helix	trans	-101.6	-19.7	-171	-65.1	173	-173	154.7	0	114	P833 D986 D988 Y989 Y990	P833-K992 WeakPolarHBondContact CG-O 3.07Å; D986-K992 IonicContact OD1-NZ 2.76Å; D988-K992 HydrophobicContact CB-CD 3.9Å; D988-K992 VanDerWaalsContact CB-CE 3.41Å; D988-K992 HydrophobicContact CB-CG 4.19Å; D988-K992 PolarHBondContact O-N 3.12Å; D988-K992 VanDerWaalsContact O-N 3.1Å; D988-K992 WeakPolarHBondContact OD2-CE 3.35Å; D988-K992 IonicContact OD2-NZ 2.79Å; D988-K992 PolarHBondContact OD2-NZ 3.06Å; Y989-K992 PolarHBondContact O-N 2.97Å; Y990-K992 VanDerWaalsContact C-N 3.34Å
993	R	92.3	Very high	91.7	Very high	69 Å²	69	53.3 Å²	53.3	26%	0.26	27%	0.268	S	S	.	.	S	Bend	trans	-79	153.1	-179.3	80.2	175.4	-78.1	-171.1	6.5	112.8	R909 Y989 M995	R909-R993 PolarHBondContact NH1-O 3.44Å; Y989-R993 VanDerWaalsContact CE1-CD 3.45Å; Y989-R993 WeakPolarHBondContact O-CB 3.24Å; Y989-R993 PolarHBondContact O-N 2.91Å; R993-M995 VanDerWaalsContact CD-SD 3.58Å; R993-M995 HydrophobicContact CG-CG 4.31Å; R993-M995 HydrophobicContact CG-SD 3.73Å
994	T	92	Very high	91.1	Very high	40 Å²	40	56.7 Å²	56.7	25%	0.245	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.5	130.8	158.2	-54.7	0	0	0	0	109.9	S830 E831 T832 Y996	S830-T994 WeakPolarHBondContact OG-CG2 3.37Å; E831-T994 CarbonylContact O-C 3.56Å; E831-T994 WeakPolarHBondContact O-CA 3.36Å; T832-T994 HydrophobicContact CG2-CG2 4.35Å; T994-Y996 HydrophobicContact CG2-CE1 4.25Å; T994-Y996 HydrophobicContact CG2-CE2 4.25Å
995	M	91.8	Very high	90.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.8	176.3	-67.5	-66.9	-75.5	0	0	110	E831 I908 R909 Y947 Y990 R993 F997	E831-M995 PolarHBondContact N-O 2.95Å; E831-M995 PolarHBondContact O-N 3.47Å; I908-M995 HydrophobicContact CD1-CE 3.51Å; I908-M995 HydrophobicContact CG1-CE 4.04Å; R909-M995 VanDerWaalsContact NH1-CG 3.3Å; Y947-M995 HydrophobicContact CD1-CB 3.91Å; Y947-M995 HydrophobicContact CD1-CE 3.39Å; Y947-M995 HydrophobicContact CD1-CG 4.19Å; Y947-M995 HydrophobicContact CD2-CE 4.03Å; Y947-M995 HydrophobicContact CE1-CB 3.44Å; Y947-M995 VanDerWaalsContact CE1-CB 3.44Å; Y947-M995 HydrophobicContact CE1-CE 3.83Å; Y947-M995 HydrophobicContact CE1-CG 3.7Å; Y947-M995 HydrophobicContact CE2-CE 4.4Å; Y947-M995 HydrophobicContact CG-CE 3.49Å; Y947-M995 VanDerWaalsContact CG-CE 3.49Å; Y990-M995 HydrophobicContact CD1-CE 4.32Å; Y990-M995 HydrophobicContact CD1-SD 3.98Å; Y990-M995 HydrophobicContact CE1-SD 4.43Å; R993-M995 VanDerWaalsContact CD-SD 3.58Å; R993-M995 HydrophobicContact CG-CG 4.31Å; R993-M995 HydrophobicContact CG-SD 3.73Å; M995-F997 HydrophobicContact CB-CD1 4.25Å; M995-F997 HydrophobicContact CB-CE1 4.48Å
996	Y	89.5	Confident	90.2	Very high	83 Å²	83	46 Å²	46	33%	0.325	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.9	177.9	-58.5	-86.1	0	0	0	108.4	V829 S830 T994	V829-Y996 WeakPolarHBondContact O-CA 3.23Å; S830-Y996 WeakPolarHBondContact OG-CE1 3.45Å; T994-Y996 HydrophobicContact CG2-CE1 4.25Å; T994-Y996 HydrophobicContact CG2-CE2 4.25Å
997	F	89.9	Confident	89.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.4	179.8	58.8	-86.2	0	0	0	112.3	V829 E831 Y947 Q948 G971 M995 L999 L1009	V829-F997 HydrophobicContact CG1-CZ 4.46Å; V829-F997 PolarHBondContact N-O 2.77Å; V829-F997 PolarHBondContact O-N 2.69Å; V829-F997 VanDerWaalsContact O-N 3.08Å; E831-F997 HydrophobicContact CB-CE1 3.6Å; E831-F997 HydrophobicContact CB-CZ 4.16Å; E831-F997 HydrophobicContact CG-CE1 4.33Å; E831-F997 WeakPolarHBondContact OE2-CZ 3.09Å; Y947-F997 HydrophobicContact CD1-CB 4.38Å; Y947-F997 AromaticContact CD1-CD1 3.63Å; Y947-F997 HydrophobicContact CD1-CD1 3.63Å; Y947-F997 HydrophobicContact CD1-CE1 4.16Å; Y947-F997 HydrophobicContact CD1-CG 4.15Å; Y947-F997 AromaticContact CE1-CD1 3.58Å; Y947-F997 HydrophobicContact CE1-CD1 3.58Å; Y947-F997 AromaticContact CE1-CE1 3.63Å; Y947-F997 HydrophobicContact CE1-CE1 3.63Å; Y947-F997 HydrophobicContact CE1-CG 4.44Å; Y947-F997 VanDerWaalsContact O-CB 3.27Å; Y947-F997 WeakPolarHBondContact O-CB 3.33Å; Q948-F997 HydrophobicContact CG-CD2 4.18Å; Q948-F997 HydrophobicContact CG-CE2 3.87Å; Q948-F997 HydrophobicContact CG-CZ 4.16Å; G971-F997 WeakPolarHBondContact O-CA 3.29Å; G971-F997 WeakPolarHBondContact O-CB 3.42Å; M995-F997 HydrophobicContact CB-CD1 4.25Å; M995-F997 HydrophobicContact CB-CE1 4.48Å; F997-L999 HydrophobicContact CD2-CD2 4Å; F997-L999 HydrophobicContact CD2-CG 3.96Å; F997-L999 HydrophobicContact CE2-CD1 3.88Å; F997-L999 HydrophobicContact CE2-CD2 3.73Å; F997-L999 HydrophobicContact CE2-CG 3.63Å; F997-L1009 HydrophobicContact CZ-CD1 4.19Å
998	T	87.6	Confident	89.2	Confident	49 Å²	49	52.1 Å²	52.1	30%	0.301	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134	-179	53	0	0	0	0	111.6	F827 M828 G971	F827-T998 WeakPolarHBondContact O-CA 3.49Å; M828-T998 HydrophobicContact CE-CG2 3.92Å; M828-T998 HydrophobicContact SD-CG2 4.11Å; G971-T998 PolarHBondContact O-N 3.1Å
999	L	86.8	Confident	88.6	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.058	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.1	170.3	-69.5	-175.1	0	0	0	110.4	F826 F827 V829 F997 D1003 L1005 L1006	F826-L999 CarbonylContact C-O 3.51Å; F826-L999 WeakPolarHBondContact CA-O 3.1Å; F827-L999 PolarHBondContact N-O 2.98Å; F827-L999 PolarHBondContact O-N 3.15Å; V829-L999 HydrophobicContact CG2-CB 4.09Å; V829-L999 HydrophobicContact CG2-CD1 4.02Å; V829-L999 HydrophobicContact CG2-CG 4.07Å; F997-L999 HydrophobicContact CD2-CD2 4Å; F997-L999 HydrophobicContact CD2-CG 3.96Å; F997-L999 HydrophobicContact CE2-CD1 3.88Å; F997-L999 HydrophobicContact CE2-CD2 3.73Å; F997-L999 HydrophobicContact CE2-CG 3.63Å; L999-D1003 HydrophobicContact CB-CB 4.37Å; L999-L1005 HydrophobicContact CD1-CB 3.95Å; L999-L1005 HydrophobicContact CD1-CD2 4.12Å; L999-L1005 HydrophobicContact CD1-CG 3.92Å; L999-L1006 HydrophobicContact CB-CB 4.22Å; L999-L1006 HydrophobicContact CB-CD1 4.41Å; L999-L1006 HydrophobicContact CD1-CB 4.08Å
1000	R	84.9	Confident	87.4	Confident	85 Å²	85	47.4 Å²	47.4	32%	0.321	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	154.9	173.6	-57.5	-173.6	-163.2	-168.3	-1.8	110.2	K820 Q824 F826 D1002 D1003 L1006	K820-R1000 PolarHBondContact O-NH1 2.88Å; K820-R1000 VanDerWaalsContact O-NH1 3.1Å; Q824-R1000 HydrophobicContact CB-CB 4.49Å; F826-R1000 HydrophobicContact CD1-CG 3.97Å; F826-R1000 HydrophobicContact CE1-CG 3.5Å; F826-R1000 VanDerWaalsContact CE1-CG 3.5Å; F826-R1000 HydrophobicContact CZ-CG 3.91Å; R1000-D1002 WeakPolarHBondContact CB-OD1 3.37Å; R1000-D1002 PolarHBondContact O-N 3.18Å; R1000-D1003 WeakPolarHBondContact O-CB 3.42Å; R1000-D1003 PolarHBondContact O-N 3.39Å; R1000-L1006 WeakPolarHBondContact O-CD2 3.36Å
1001	E	83.5	Confident	86	Confident	80 Å²	80	54.8 Å²	54.8	37%	0.374	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.6	-179.5	-167.8	164.5	-148	0	0	114.4	P825 F827 R1011	P825-E1001 WeakPolarHBondContact CD-OE2 3.35Å; P825-E1001 HydrophobicContact CG-CB 3.89Å; P825-E1001 HydrophobicContact CG-CG 4.32Å; P825-E1001 WeakPolarHBondContact CG-OE2 3.25Å; P825-E1001 PolarHBondContact O-N 3.38Å; F827-E1001 HydrophobicContact CD2-CB 4.35Å; F827-E1001 HydrophobicContact CE2-CB 3.72Å; F827-E1001 HydrophobicContact CE2-CG 3.76Å; F827-E1001 HydrophobicContact CZ-CG 4.43Å; E1001-R1011 IonicContact OE1-CZ 3.9Å; E1001-R1011 IonicContact OE1-NH1 2.75Å; E1001-R1011 IonicContact OE1-NH2 3.08Å; E1001-R1011 PolarHBondContact OE1-NH2 2.93Å
1002	D	79.9	Confident	84.3	Confident	63 Å²	63	61.4 Å²	61.4	34%	0.337	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.6	-176.6	70.4	-28.7	0	0	0	113.4	R819 Q824 R1000 P1004	R819-D1002 WeakPolarHBondContact CD-OD2 3.45Å; R819-D1002 VanDerWaalsContact CG-OD2 3.23Å; R819-D1002 WeakPolarHBondContact CG-OD2 3.36Å; R819-D1002 IonicContact NE-OD2 3.27Å; Q824-D1002 PolarHBondContact NE2-OD1 2.81Å; Q824-D1002 PolarHBondContact NE2-OD2 2.91Å; Q824-D1002 PolarHBondContact OE1-OD1 3.35Å; R1000-D1002 WeakPolarHBondContact CB-OD1 3.37Å; R1000-D1002 PolarHBondContact O-N 3.18Å; D1002-P1004 VanDerWaalsContact O-CD 3.27Å; D1002-P1004 WeakPolarHBondContact O-CD 3.47Å
1003	D	83.9	Confident	82.4	Confident	48 Å²	48	60.9 Å²	60.9	26%	0.257	30%	0.298	S	S	.	.			trans	-64.1	119.4	175.1	-164.9	-46.8	0	0	0	108.3	L999 R1000 L1005 L1006	L999-D1003 HydrophobicContact CB-CB 4.37Å; R1000-D1003 WeakPolarHBondContact O-CB 3.42Å; R1000-D1003 PolarHBondContact O-N 3.39Å; D1003-L1005 PolarHBondContact O-N 2.89Å; D1003-L1005 WeakPolarHBondContact OD1-CB 3.33Å; D1003-L1005 PolarHBondContact OD1-N 3.39Å; D1003-L1006 VanDerWaalsContact O-CB 3.3Å; D1003-L1006 WeakPolarHBondContact O-CB 3.42Å; D1003-L1006 PolarHBondContact O-N 3.44Å
1004	P	85.5	Confident	80.4	Confident	71 Å²	71	60.1 Å²	60.1	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-57.5	-27	-178.8	-22.4	31.6	0	0	0	112.5	Y843 D1002 L1006 T1007 L1008	Y843-P1004 HydrophobicContact CE2-CB 3.8Å; Y843-P1004 WeakPolarHBondContact OH-CB 3.47Å; Y843-P1004 WeakPolarHBondContact OH-CD 3.41Å; Y843-P1004 WeakPolarHBondContact OH-CG 3.13Å; D1002-P1004 VanDerWaalsContact O-CD 3.27Å; D1002-P1004 WeakPolarHBondContact O-CD 3.47Å; P1004-L1006 VanDerWaalsContact C-N 3.3Å; P1004-L1006 PolarHBondContact O-N 3.28Å; P1004-T1007 PolarHBondContact O-N 2.88Å; P1004-L1008 WeakPolarHBondContact O-CG 3.4Å; P1004-L1008 PolarHBondContact O-N 2.8Å; P1004-L1008 VanDerWaalsContact O-N 3.15Å
1005	L	87.9	Confident	78.3	Confident	3 Å²	3	66 Å²	66	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-32.7	176	-173.4	59	0	0	0	112.4	T840 Y843 L999 D1003 T1007 L1008 L1009	T840-L1005 HydrophobicContact CG2-CD1 4.13Å; T840-L1005 HydrophobicContact CG2-CD2 3.88Å; Y843-L1005 HydrophobicContact CD1-CB 4.07Å; Y843-L1005 HydrophobicContact CD1-CD1 3.84Å; Y843-L1005 HydrophobicContact CD1-CD2 4.43Å; Y843-L1005 HydrophobicContact CD1-CG 4.33Å; Y843-L1005 HydrophobicContact CE1-CB 3.8Å; Y843-L1005 HydrophobicContact CE1-CD1 4.45Å; Y843-L1005 HydrophobicContact CE1-CG 4.5Å; Y843-L1005 HydrophobicContact CG-CD1 4.15Å; L999-L1005 HydrophobicContact CD1-CB 3.95Å; L999-L1005 HydrophobicContact CD1-CD2 4.12Å; L999-L1005 HydrophobicContact CD1-CG 3.92Å; D1003-L1005 PolarHBondContact O-N 2.89Å; D1003-L1005 WeakPolarHBondContact OD1-CB 3.33Å; D1003-L1005 PolarHBondContact OD1-N 3.39Å; L1005-T1007 VanDerWaalsContact C-N 3.29Å; L1005-T1007 PolarHBondContact O-N 2.91Å; L1005-L1008 PolarHBondContact O-N 2.99Å; L1005-L1009 HydrophobicContact CD1-CD1 3.98Å; L1005-L1009 HydrophobicContact CD1-CG 4.05Å; L1005-L1009 HydrophobicContact CD2-CD1 4.38Å; L1005-L1009 HydrophobicContact CG-CD1 3.82Å; L1005-L1009 HydrophobicContact CG-CG 4.31Å; L1005-L1009 WeakPolarHBondContact O-CB 3.43Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.33Å
1006	L	86.9	Confident	75.8	Confident	4 Å²	4	73.2 Å²	73.2	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-37.9	175.2	-180	66.5	0	0	0	111.3	F827 V829 L999 R1000 D1003 P1004 G1010	F827-L1006 HydrophobicContact CB-CD1 3.91Å; F827-L1006 HydrophobicContact CB-CD2 4.19Å; F827-L1006 HydrophobicContact CD2-CD2 3.53Å; F827-L1006 HydrophobicContact CE2-CD2 4.18Å; F827-L1006 HydrophobicContact CG-CD1 4.45Å; F827-L1006 HydrophobicContact CG-CD2 4Å; V829-L1006 HydrophobicContact CG2-CD1 3.49Å; V829-L1006 VanDerWaalsContact CG2-CD1 3.49Å; L999-L1006 HydrophobicContact CB-CB 4.22Å; L999-L1006 HydrophobicContact CB-CD1 4.41Å; L999-L1006 HydrophobicContact CD1-CB 4.08Å; R1000-L1006 WeakPolarHBondContact O-CD2 3.36Å; D1003-L1006 VanDerWaalsContact O-CB 3.3Å; D1003-L1006 WeakPolarHBondContact O-CB 3.42Å; D1003-L1006 PolarHBondContact O-N 3.44Å; P1004-L1006 VanDerWaalsContact C-N 3.3Å; P1004-L1006 PolarHBondContact O-N 3.28Å; L1006-G1010 CarbonylContact O-C 3.39Å; L1006-G1010 VanDerWaalsContact O-CA 3.31Å; L1006-G1010 WeakPolarHBondContact O-CA 3Å; L1006-G1010 PolarHBondContact O-N 2.93Å
1007	T	84.7	Confident	73.2	Confident	113 Å²	113	80.6 Å²	80.6	69%	0.693	39%	0.393	S	S	*	.	H	α-helix	trans	-69.2	-39.8	177.7	-57.8	0	0	0	0	110.9	P1004 L1005 G1010	P1004-T1007 PolarHBondContact O-N 2.88Å; L1005-T1007 VanDerWaalsContact C-N 3.29Å; L1005-T1007 PolarHBondContact O-N 2.91Å; T1007-G1010 PolarHBondContact O-N 2.95Å
1008	L	86.6	Confident	70.6	Confident	98 Å²	98	93.1 Å²	93.1	51%	0.513	45%	0.452	S	S	.	.	H	α-helix	trans	-69.7	-42.3	179.9	-68.9	172.3	0	0	0	113.1	T839 Y843 P1004 L1005 G1010	T839-L1008 HydrophobicContact CG2-CB 3.5Å; Y843-L1008 HydrophobicContact CD2-CD1 3.35Å; Y843-L1008 HydrophobicContact CE2-CD1 4.02Å; Y843-L1008 HydrophobicContact CG-CD1 3.89Å; P1004-L1008 WeakPolarHBondContact O-CG 3.4Å; P1004-L1008 PolarHBondContact O-N 2.8Å; P1004-L1008 VanDerWaalsContact O-N 3.15Å; L1005-L1008 PolarHBondContact O-N 2.99Å; L1008-G1010 VanDerWaalsContact C-N 3.29Å
1009	L	84.3	Confident	69.7	Low	10 Å²	10	95.4 Å²	95.4	5%	0.052	46%	0.46	C	S	.	.	H	α-helix	trans	-76.4	-20.2	175.3	-67.7	173.4	0	0	0	112.4	V829 E831 D835 T839 F997 L1005	V829-L1009 HydrophobicContact CG1-CB 4.22Å; V829-L1009 HydrophobicContact CG1-CD1 3.72Å; E831-L1009 HydrophobicContact CG-CD2 4.47Å; D835-L1009 HydrophobicContact CB-CD2 3.84Å; T839-L1009 HydrophobicContact CG2-CD2 3.96Å; T839-L1009 HydrophobicContact CG2-CG 4.34Å; F997-L1009 HydrophobicContact CZ-CD1 4.19Å; L1005-L1009 HydrophobicContact CD1-CD1 3.98Å; L1005-L1009 HydrophobicContact CD1-CG 4.05Å; L1005-L1009 HydrophobicContact CD2-CD1 4.38Å; L1005-L1009 HydrophobicContact CG-CD1 3.82Å; L1005-L1009 HydrophobicContact CG-CG 4.31Å; L1005-L1009 WeakPolarHBondContact O-CB 3.43Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.33Å
1010	G	72.1	Confident	68.8	Low	23 Å²	23	99.8 Å²	99.8	24%	0.237	48%	0.481	C	S	.	.			trans	75.1	161.4	-171	0	0	0	0	0	112.2	L1006 T1007 L1008 R1012	L1006-G1010 CarbonylContact O-C 3.39Å; L1006-G1010 VanDerWaalsContact O-CA 3.31Å; L1006-G1010 WeakPolarHBondContact O-CA 3Å; L1006-G1010 PolarHBondContact O-N 2.93Å; T1007-G1010 PolarHBondContact O-N 2.95Å; L1008-G1010 VanDerWaalsContact C-N 3.29Å; G1010-R1012 PolarHBondContact O-N 3.02Å
1011	R	66.8	Low	68	Low	159 Å²	159	100.6 Å²	100.6	60%	0.6	49%	0.49	S	S	*	.	S	Bend	trans	-73.3	37.9	174.4	-62	-177.7	-179.2	-166.9	-6.4	112.5	E1001 N1013	E1001-R1011 IonicContact OE1-CZ 3.9Å; E1001-R1011 IonicContact OE1-NH1 2.75Å; E1001-R1011 IonicContact OE1-NH2 3.08Å; E1001-R1011 PolarHBondContact OE1-NH2 2.93Å; R1011-N1013 VanDerWaalsContact C-N 3.34Å; R1011-N1013 PolarHBondContact O-N 2.74Å
1012	R	60	Low	67	Low	161 Å²	161	101.8 Å²	101.8	61%	0.608	50%	0.496	S	S	*	.			trans	-71.8	87.4	-177.5	-67.8	-179.9	178.3	171.7	2.4	109.2	D835 G1010 A1014	D835-R1012 IonicContact OD1-NH1 3.87Å; G1010-R1012 PolarHBondContact O-N 3.02Å; R1012-A1014 PolarHBondContact O-N 2.79Å
1013	N	53.5	Low	66.2	Low	108 Å²	108	104.3 Å²	104.3	58%	0.578	51%	0.506	S	S	*	.			trans	-81	71.3	166.4	-154.3	-7.8	0	0	0	108.5	R1011 F1015	R1011-N1013 VanDerWaalsContact C-N 3.34Å; R1011-N1013 PolarHBondContact O-N 2.74Å; N1013-F1015 PolarHBondContact O-N 2.71Å
1014	A	50.3	Low	65.1	Low	54 Å²	54	108 Å²	108	45%	0.446	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	67.5	176.7	0	0	0	0	0	109.5	R1012 I1016	R1012-A1014 PolarHBondContact O-N 2.79Å; A1014-I1016 VanDerWaalsContact C-N 3.33Å
1015	F	47.8	Very low	63.6	Low	164 Å²	164	110.6 Å²	110.6	72%	0.719	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.5	152.8	-136	-86.1	0	0	0	111.3	N1013	N1013-F1015 PolarHBondContact O-N 2.71Å
1016	I	39.8	Very low	61.7	Low	150 Å²	150	118.9 Å²	118.9	77%	0.769	57%	0.567	S	S	*	*	S	Bend	trans	-113.6	83.7	180	-51.9	176.3	0	0	0	108.5	A1014	A1014-I1016 VanDerWaalsContact C-N 3.33Å
1017	R	35.3	Very low	59.6	Low	238 Å²	238	128.5 Å²	128.5	90%	0.898	61%	0.612	S	S	*	*			trans	165.9	70.9	147.1	-93	-179.2	-173.2	-172.1	3.5	110.2
1018	Q	34.6	Very low	57.4	Low	264 Å²	264	129.9 Å²	129.9	100%	1.234	61%	0.605	S	S	*	*				-138.2	0	121.3	-89.2	-175.7	-6.4	0	0	106.1

Retrieved 1,018 of 1,018 residues in 505.2 ms (Link to these results)

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