G4VPT2_SCHMA Loading...

Protein kinase

AlphaFold DB , UniProt , Accession G4VPT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,227 aa.

						>G4VPT2_SCHMA|G4VPT2
MEVDNQKIEQDNEISSEQSNTGEVLSQQDISDRKDEDEEEEEEEEEDKIVEKSHNSRFHKRNKRFPKQIEGVDNAFVAIEPKSGKEVIWNECILPEKKTDKENRYLSLIKKLKKNSHPFLVRFLDAWVSKTEEGPRKLVFITERLDECTLKQFLCNSAKNNRLWNRHVGQLLSVLMFLHRLGVAHGNLTKESIYYQNSGNLRVGLFALGRCLDQKSEAFDVYSLGVVSLEIAVWTPTEFPSNSDLTERCQQMISRLDNNNQKSFIEACFDTGSTTKCLIKRLLNHPAVTEVPILKLLSARMIVNSMISVSNEDGGANEPTGFVSLLKDYLNRYEDETVIMEVHFPHDDVVKSKSWKDFRSNFTLTSKYLEDVKNGFYPLFGCHWDAYQGEEEDSTFPNYSGVSGFPPCNGLTSNLSSASGTVKNDPSASVGNSSCTSATPSACASCKNSTASKITDLAIGSQLAPEDLVVMQSEDAAKGCSSSSVYASQINLTNHMPQIDPSCSSKVIDNDLKKNDYPTSFGEVVGVAFIPKTDEDIHPLSKATPSVNAPRPLELGYTDPKFPDKPFDYVDESESHGHGQTVSVLDEHDGCLSSPKQQNKSLLTSPSCEQRFDFVIDTQQKEVINNSEAVVVNEKTSDGLILSDKQDNLSPEPEDDDGEVDDEDDDDDDKDEDDDNEDDDDDDDEKRVVEPVERYEPQTVHVNPPERAPSHPALFTHCQYLYVGAGRWQVYVQMWFVEDRLKRETYVQVFDNEWHDYERVADLFEASRCLNPVDRSNLVRLLALARHNCALIDGELQFPGPIASRQSNFDALELHEKLVALHLHQQAKERLTSRDLGLAKSSIHSSSATPNNENGPVVSSDHDQNLGDIRSMDYQNHVPIPNEVQACAEHITQVQLHQRADQTQDPPTPCPVSVGLSDIDGTKENQDPGKQQKVKNDPNSALFLDVSSLAPRNSYCALCDTHDYLHQIHLPAYLISPCYHCREFLANEAKITPEILLDLHLQHNIPWPGFLQARFGIPNDGRSTEELIAYDCRWRSRQPCRCLTSVDGSLLPPCVEFPWLTPTVSTGSFEVTDVSANQSKLDKQDSLNTQTIAEISSPTTTDPRTSDFSTTTQAQTNATNQPCPTPTATSVSASSTSAAGNTSTCLKSILPCSNRHIRGAPITCCHGIHFPLVGIPTVSNSSANQNTDAGCIPSIDSSNPQSTTDKGSVVMTQEMQQAASLTNDVSS
					

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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	36.6	Very low	37.8	Very low	233 Å²	233	147.5 Å²	147.5	100%	1.148	74%	0.735	S	S	*	*				0	89.1	0	-64.6	169.2	-177.1	0	0	106.6
2	E	34.5	Very low	37.6	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	73%	0.729	S	S	*	*			cis	-166.6	134.6	-9.6	-125.4	163.4	178.1	0	0	108.8
3	V	38.9	Very low	37.6	Very low	126 Å²	126	146.2 Å²	146.2	76%	0.764	73%	0.728	S	S	*	*			trans	64.8	123.8	164.2	-173.9	0	0	0	0	115.8
4	D	41.7	Very low	37.4	Very low	129 Å²	129	145.4 Å²	145.4	69%	0.69	73%	0.725	S	S	*	*			cis	-155.2	170.8	-5.6	-124.2	-4.2	0	0	0	113.1
5	N	38	Very low	37.2	Very low	119 Å²	119	143.5 Å²	143.5	64%	0.636	73%	0.732	S	S	*	*			trans	5.7	124.2	162.9	-49.9	-61.5	0	0	0	119.3
6	Q	35.5	Very low	37.1	Very low	173 Å²	173	141.4 Å²	141.4	81%	0.808	73%	0.734	S	S	*	*			cis	66.6	146.4	49.8	-61.8	-163.2	-7.8	0	0	116.9
7	K	38.6	Very low	36.9	Very low	152 Å²	152	143.1 Å²	143.1	66%	0.661	74%	0.738	S	S	*	*			trans	79.3	144.8	170.2	-70.8	-173.7	154.2	-68.9	0	115.9	E9	K7-E9 IonicContact NZ-OE1 3.48Å; K7-E9 PolarHBondContact NZ-OE1 3.19Å
8	I	38.2	Very low	37	Very low	122 Å²	122	144.6 Å²	144.6	63%	0.626	74%	0.741	S	S	*	*			cis	-146.1	136.3	6.4	-125.7	156.8	0	0	0	107.4
9	E	38.1	Very low	36.8	Very low	120 Å²	120	142.9 Å²	142.9	56%	0.561	74%	0.743	S	S	*	*				50.7	135.9	97.5	-53	165.5	-144.2	0	0	113.7	K7	K7-E9 IonicContact NZ-OE1 3.48Å; K7-E9 PolarHBondContact NZ-OE1 3.19Å
10	Q	38.7	Very low	36.8	Very low	146 Å²	146	143.5 Å²	143.5	68%	0.682	75%	0.747	S	S	*	*			cis	-164.7	142.7	4.1	-117.3	156.9	29.5	0	0	110.9
11	D	37.3	Very low	36.7	Very low	131 Å²	131	143.7 Å²	143.7	70%	0.701	76%	0.755	S	S	*	*				49.3	136.6	128.5	-56.7	7.5	0	0	0	123.9
12	N	35.4	Very low	37.1	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	73%	0.733	S	S	*	*			trans	88.2	109.8	135.9	-71	3	0	0	0	123.8
13	E	38	Very low	37.7	Very low	151 Å²	151	135.7 Å²	135.7	71%	0.706	73%	0.733	S	S	*	*				85.1	105.5	117.7	-67.8	-173.1	121.4	0	0	122.6
14	I	34.8	Very low	38.1	Very low	136 Å²	136	135.1 Å²	135.1	70%	0.697	73%	0.729	S	S	*	*				79	112.1	119.8	-64.6	168.7	0	0	0	119.6
15	S	33.7	Very low	38.4	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	73%	0.729	S	S	*	*			trans	68.5	91.9	144.5	-64.9	0	0	0	0	122.3
16	S	36.4	Very low	39	Very low	110 Å²	110	133 Å²	133	77%	0.769	72%	0.723	S	S	*	*				-155.4	106.9	129.2	55.3	0	0	0	0	108.1
17	E	33.6	Very low	39.8	Very low	170 Å²	170	132.2 Å²	132.2	79%	0.794	72%	0.719	S	S	*	*				49	115.9	95.7	-75.5	-157.5	170.9	0	0	115.8
18	Q	38.9	Very low	40.5	Very low	170 Å²	170	130.5 Å²	130.5	79%	0.794	71%	0.714	S	S	*	*			trans	86.4	132	158.2	-58.2	172.7	32.5	0	0	119.6
19	S	33.1	Very low	41.2	Very low	113 Å²	113	127.9 Å²	127.9	79%	0.79	70%	0.701	S	S	*	*			trans	50.9	100.2	163.8	59	0	0	0	0	119.7
20	N	36.1	Very low	42.3	Very low	154 Å²	154	127.6 Å²	127.6	82%	0.824	70%	0.702	S	S	*	*				-157.4	133	119.1	-112.6	7.6	0	0	0	110.5
21	T	35.8	Very low	43.4	Very low	148 Å²	148	123.2 Å²	123.2	91%	0.908	69%	0.688	S	S	*	*			trans	-126.2	112.5	172.4	46.6	0	0	0	0	107.1
22	G	44.7	Very low	44.7	Very low	67 Å²	67	119.2 Å²	119.2	69%	0.691	67%	0.666	S	S	*	*			trans	173.8	-15.7	-177	0	0	0	0	0	117.9
23	E	46.7	Very low	46.2	Very low	170 Å²	170	115.8 Å²	115.8	79%	0.794	64%	0.644	S	S	*	*	S	Bend	trans	-111.7	22	-173	-65.5	175.2	124.3	0	0	114.1
24	V	48.2	Very low	47.7	Very low	114 Å²	114	112.7 Å²	112.7	69%	0.691	63%	0.628	S	S	*	*	S	Bend	trans	-106.9	-18.4	-174.9	-179.6	0	0	0	0	113.5
25	L	46.1	Very low	49.5	Very low	129 Å²	129	110.7 Å²	110.7	68%	0.675	62%	0.619	S	S	*	*	S	Bend	trans	-72.7	-47.6	-174.2	-67.5	168.9	0	0	0	112.4	Q27 Q28	L25-Q27 PolarHBondContact O-N 2.97Å; L25-Q28 PolarHBondContact O-N 2.8Å
26	S	52.3	Low	51.3	Low	75 Å²	75	107.9 Å²	107.9	52%	0.524	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	35.1	-174.8	74.1	0	0	0	0	115.7	D29	S26-D29 WeakPolarHBondContact CA-OD2 3.3Å
27	Q	52	Low	53.4	Low	155 Å²	155	107.9 Å²	107.9	72%	0.724	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	-10	168.1	-67.6	-159.7	-53.8	0	0	112.9	L25	L25-Q27 PolarHBondContact O-N 2.97Å
28	Q	51.9	Low	55.6	Low	116 Å²	116	105.2 Å²	105.2	54%	0.542	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	-47.5	166.3	-69.8	-169.1	-126.4	0	0	109.6	L25 I30 S31 D32	L25-Q28 PolarHBondContact O-N 2.8Å; Q28-I30 PolarHBondContact O-N 3.09Å; Q28-S31 PolarHBondContact O-N 3.48Å; Q28-S31 PolarHBondContact O-OG 3.47Å; Q28-D32 PolarHBondContact O-N 2.9Å; Q28-D32 VanDerWaalsContact O-N 3.09Å
29	D	53.6	Low	57.5	Low	68 Å²	68	104.3 Å²	104.3	36%	0.364	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.3	-6.2	171.4	-30.1	-24.8	0	0	0	114.6	S26 R33	S26-D29 WeakPolarHBondContact CA-OD2 3.3Å; D29-R33 WeakPolarHBondContact O-CD 3.28Å; D29-R33 WeakPolarHBondContact O-CG 3.29Å; D29-R33 VanDerWaalsContact O-CZ 3.23Å; D29-R33 PolarHBondContact O-NE 2.87Å; D29-R33 PolarHBondContact O-NH2 3.33Å
30	I	61.4	Low	59.7	Low	114 Å²	114	105.6 Å²	105.6	59%	0.585	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-18.6	176.6	-56.6	174.9	0	0	0	112.4	Q28	Q28-I30 PolarHBondContact O-N 3.09Å
31	S	62.1	Low	62	Low	54 Å²	54	105.3 Å²	105.3	38%	0.378	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	-43.8	165.9	41.4	0	0	0	0	110.9	Q28 K34	Q28-S31 PolarHBondContact O-N 3.48Å; Q28-S31 PolarHBondContact O-OG 3.47Å; S31-K34 VanDerWaalsContact O-CB 3.32Å; S31-K34 WeakPolarHBondContact O-CB 3.44Å; S31-K34 PolarHBondContact O-N 2.95Å; S31-K34 VanDerWaalsContact O-N 3.08Å
32	D	64.9	Low	64.2	Low	47 Å²	47	105.2 Å²	105.2	25%	0.251	54%	0.544	S	S	.	.	H	α-helix	trans	-69.9	-56.5	-159.5	-52.7	-10.7	0	0	0	109	Q28 K34 D35 E36 D679	Q28-D32 PolarHBondContact O-N 2.9Å; Q28-D32 VanDerWaalsContact O-N 3.09Å; D32-K34 PolarHBondContact O-N 3.34Å; D32-D35 PolarHBondContact O-N 3.42Å; D32-E36 PolarHBondContact O-N 2.86Å; D32-D679 VanDerWaalsContact O-OD2 3.05Å
33	R	66.3	Low	66.1	Low	53 Å²	53	107.8 Å²	107.8	20%	0.2	54%	0.538	C	S	.	.	H	α-helix	trans	-22.9	-48.9	157.6	-78.9	-179.3	-151.9	-55.9	-32	117.1	D29 D35 E36 D37 E677 D678 D679	D29-R33 WeakPolarHBondContact O-CD 3.28Å; D29-R33 WeakPolarHBondContact O-CG 3.29Å; D29-R33 VanDerWaalsContact O-CZ 3.23Å; D29-R33 PolarHBondContact O-NE 2.87Å; D29-R33 PolarHBondContact O-NH2 3.33Å; R33-D35 VanDerWaalsContact C-N 3.26Å; R33-E36 VanDerWaalsContact O-CB 3.28Å; R33-E36 WeakPolarHBondContact O-CB 3.35Å; R33-E36 PolarHBondContact O-N 3.24Å; R33-D37 PolarHBondContact O-N 3.02Å; R33-E677 IonicContact CZ-OE1 3.8Å; R33-E677 IonicContact CZ-OE2 2.72Å; R33-E677 VanDerWaalsContact NH1-CB 3.32Å; R33-E677 IonicContact NH1-OE1 3.74Å; R33-E677 PolarHBondContact NH1-OE1 3.44Å; R33-E677 IonicContact NH1-OE2 2.75Å; R33-E677 IonicContact NH2-OE1 2.72Å; R33-E677 PolarHBondContact NH2-OE1 2.89Å; R33-E677 IonicContact NH2-OE2 2.83Å; R33-E677 PolarHBondContact NH2-OE2 3.01Å; R33-D678 WeakPolarHBondContact CG-OD1 3.23Å; R33-D678 IonicContact CZ-OD1 3.35Å; R33-D678 IonicContact CZ-OD2 2.71Å; R33-D678 IonicContact NE-OD1 3.35Å; R33-D678 IonicContact NE-OD2 2.71Å; R33-D678 IonicContact NH1-OD1 2.73Å; R33-D678 PolarHBondContact NH1-OD1 2.9Å; R33-D678 IonicContact NH1-OD2 3.8Å; R33-D678 IonicContact NH2-OD1 3.51Å; R33-D678 PolarHBondContact NH2-OD1 3.48Å; R33-D678 IonicContact NH2-OD2 3.16Å; R33-D678 PolarHBondContact NH2-OD2 3.24Å; R33-D679 PolarHBondContact N-OD2 2.94Å
34	K	68.6	Low	67.9	Low	86 Å²	86	106.2 Å²	106.2	37%	0.374	53%	0.531	S	S	.	.	H	α-helix	trans	-80.3	-22.5	-165.4	-156.5	-139.6	97.7	-52.7	0	109.8	S31 D32 E38	S31-K34 VanDerWaalsContact O-CB 3.32Å; S31-K34 WeakPolarHBondContact O-CB 3.44Å; S31-K34 PolarHBondContact O-N 2.95Å; S31-K34 VanDerWaalsContact O-N 3.08Å; D32-K34 PolarHBondContact O-N 3.34Å; K34-E38 WeakPolarHBondContact CE-OE1 3.37Å; K34-E38 IonicContact NZ-OE1 3.75Å; K34-E38 PolarHBondContact NZ-OE1 3.3Å; K34-E38 IonicContact NZ-OE2 3.82Å; K34-E38 WeakPolarHBondContact O-CG 3.43Å; K34-E38 PolarHBondContact O-N 2.83Å
35	D	73.7	Confident	69.9	Low	94 Å²	94	105.3 Å²	105.3	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-86	-30.2	172.4	-62.3	-3.2	0	0	0	108.6	D32 R33 E38 E39	D32-D35 PolarHBondContact O-N 3.42Å; R33-D35 VanDerWaalsContact C-N 3.26Å; D35-E38 PolarHBondContact O-N 3.47Å; D35-E39 PolarHBondContact O-N 3.19Å
36	E	71.6	Confident	72	Confident	59 Å²	59	102.1 Å²	102.1	28%	0.276	50%	0.501	S	S	.	.	H	α-helix	trans	-55.5	-55.2	162.9	-159.5	179.1	21.7	0	0	112.4	D32 R33 E38 E39 E40 D679	D32-E36 PolarHBondContact O-N 2.86Å; R33-E36 VanDerWaalsContact O-CB 3.28Å; R33-E36 WeakPolarHBondContact O-CB 3.35Å; R33-E36 PolarHBondContact O-N 3.24Å; E36-E38 PolarHBondContact O-N 3.26Å; E36-E39 PolarHBondContact O-N 3.31Å; E36-E39 VanDerWaalsContact O-N 3.11Å; E36-E40 PolarHBondContact O-N 3.12Å; E36-D679 HydrophobicContact CB-CB 4.2Å; E36-D679 WeakPolarHBondContact CB-OD1 3.49Å; E36-D679 HydrophobicContact CG-CB 4.15Å; E36-D679 WeakPolarHBondContact CG-OD1 3.44Å; E36-D679 WeakPolarHBondContact OE1-CB 3.41Å; E36-D679 PolarHBondContact OE1-N 3.04Å; E36-D679 VanDerWaalsContact OE2-CA 3.26Å; E36-D679 WeakPolarHBondContact OE2-CA 3.49Å; E36-D679 PolarHBondContact OE2-N 2.63Å
37	D	80.3	Confident	73.8	Confident	110 Å²	110	101.9 Å²	101.9	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-54.1	-35.4	176.6	-83.5	-33.8	0	0	0	111.7	R33 E41	R33-D37 PolarHBondContact O-N 3.02Å; D37-E41 WeakPolarHBondContact O-CB 3.47Å; D37-E41 PolarHBondContact O-N 3.34Å
38	E	79.5	Confident	75.8	Confident	113 Å²	113	98.8 Å²	98.8	53%	0.528	48%	0.478	S	S	.	.	H	α-helix	trans	-80.3	-34.2	178.8	-77.5	-179.3	-151.9	0	0	112.5	K34 D35 E36 E42	K34-E38 WeakPolarHBondContact CE-OE1 3.37Å; K34-E38 IonicContact NZ-OE1 3.75Å; K34-E38 PolarHBondContact NZ-OE1 3.3Å; K34-E38 IonicContact NZ-OE2 3.82Å; K34-E38 WeakPolarHBondContact O-CG 3.43Å; K34-E38 PolarHBondContact O-N 2.83Å; D35-E38 PolarHBondContact O-N 3.47Å; E36-E38 PolarHBondContact O-N 3.26Å; E38-E42 PolarHBondContact O-N 3.35Å
39	E	78.7	Confident	77.8	Confident	151 Å²	151	97 Å²	97	71%	0.706	47%	0.471	S	S	*	.	H	α-helix	trans	-72.5	-37.3	172.9	-70.1	-148	173	0	0	112.8	D35 E36 E42 E43	D35-E39 PolarHBondContact O-N 3.19Å; E36-E39 PolarHBondContact O-N 3.31Å; E36-E39 VanDerWaalsContact O-N 3.11Å; E39-E42 PolarHBondContact O-N 3.37Å; E39-E43 PolarHBondContact O-N 3.28Å
40	E	80.2	Confident	79.7	Confident	140 Å²	140	97.2 Å²	97.2	65%	0.654	48%	0.475	S	S	*	.	H	α-helix	trans	-64.9	-41.8	171.8	-73.3	-145.3	143.7	0	0	111.6	E36 E42 E43 E44	E36-E40 PolarHBondContact O-N 3.12Å; E40-E42 VanDerWaalsContact C-N 3.31Å; E40-E42 PolarHBondContact O-N 3.17Å; E40-E43 PolarHBondContact O-N 3.47Å; E40-E44 PolarHBondContact O-N 3.31Å
41	E	83.6	Confident	81.3	Confident	149 Å²	149	93.6 Å²	93.6	70%	0.696	46%	0.455	S	S	*	.	H	α-helix	trans	-62.3	-35.4	173.1	-84	-159.6	-173.7	0	0	112.3	D37 E45	D37-E41 WeakPolarHBondContact O-CB 3.47Å; D37-E41 PolarHBondContact O-N 3.34Å; E41-E45 VanDerWaalsContact O-CB 3.26Å; E41-E45 WeakPolarHBondContact O-CB 3.23Å; E41-E45 PolarHBondContact O-N 3.46Å
42	E	82.5	Confident	82.8	Confident	146 Å²	146	96.8 Å²	96.8	68%	0.682	46%	0.462	S	S	*	.	H	α-helix	trans	-71.6	-40.7	173.6	-77.4	-150.5	177.8	0	0	113.2	E38 E39 E40 E45 E46	E38-E42 PolarHBondContact O-N 3.35Å; E39-E42 PolarHBondContact O-N 3.37Å; E40-E42 VanDerWaalsContact C-N 3.31Å; E40-E42 PolarHBondContact O-N 3.17Å; E42-E45 PolarHBondContact O-N 2.85Å; E42-E46 PolarHBondContact O-N 3.21Å
43	E	83.1	Confident	84.2	Confident	120 Å²	120	94.8 Å²	94.8	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-61.7	-43.8	173.3	-82.6	-96.5	107	0	0	111.1	E39 E40 E46 D47 K63	E39-E43 PolarHBondContact O-N 3.28Å; E40-E43 PolarHBondContact O-N 3.47Å; E43-E46 PolarHBondContact O-N 2.68Å; E43-D47 PolarHBondContact O-N 2.81Å; E43-K63 IonicContact OE1-NZ 3.57Å; E43-K63 PolarHBondContact OE1-NZ 3.13Å
44	E	85.4	Confident	85.4	Confident	137 Å²	137	98 Å²	98	64%	0.64	47%	0.469	S	S	*	.	H	α-helix	trans	-61.4	-43.1	171	-82	-141.1	158.3	0	0	112	E40 E46 D47 K48	E40-E44 PolarHBondContact O-N 3.31Å; E44-E46 VanDerWaalsContact C-N 3.3Å; E44-E46 PolarHBondContact O-N 3.3Å; E44-D47 PolarHBondContact O-N 2.84Å; E44-K48 WeakPolarHBondContact O-CD 3.23Å; E44-K48 VanDerWaalsContact O-CE 3.23Å; E44-K48 WeakPolarHBondContact O-CE 3.44Å; E44-K48 VanDerWaalsContact O-CG 3.26Å; E44-K48 WeakPolarHBondContact O-CG 3.39Å; E44-K48 PolarHBondContact O-N 3.41Å; E44-K48 VanDerWaalsContact O-N 3.13Å
45	E	90	Very high	86.5	Confident	95 Å²	95	97 Å²	97	44%	0.444	47%	0.468	S	S	.	.	H	α-helix	trans	-60.4	-37.9	176.2	-175.4	62	-163.6	0	0	112.8	E41 E42 K48 N62	E41-E45 VanDerWaalsContact O-CB 3.26Å; E41-E45 WeakPolarHBondContact O-CB 3.23Å; E41-E45 PolarHBondContact O-N 3.46Å; E42-E45 PolarHBondContact O-N 2.85Å; E45-K48 VanDerWaalsContact OE2-CD 3.29Å; E45-K48 WeakPolarHBondContact OE2-CD 3.23Å; E45-K48 IonicContact OE2-NZ 3.42Å; E45-K48 PolarHBondContact OE2-NZ 2.82Å; E45-N62 WeakPolarHBondContact O-CB 3.33Å; E45-N62 PolarHBondContact O-ND2 2.78Å; E45-N62 PolarHBondContact OE1-ND2 3.3Å
46	E	89.4	Confident	87.5	Confident	63 Å²	63	96.4 Å²	96.4	29%	0.294	47%	0.471	S	S	.	.	H	α-helix	trans	-70.2	-37.9	173.5	-73.8	-139.9	112.5	0	0	112.6	E42 E43 E44 R61 N62 K63 R64	E42-E46 PolarHBondContact O-N 3.21Å; E43-E46 PolarHBondContact O-N 2.68Å; E44-E46 VanDerWaalsContact C-N 3.3Å; E44-E46 PolarHBondContact O-N 3.3Å; E46-R61 WeakPolarHBondContact O-CB 3.17Å; E46-N62 CarbonylContact O-C 3.51Å; E46-N62 WeakPolarHBondContact O-CA 3.27Å; E46-N62 WeakPolarHBondContact O-CB 3.19Å; E46-N62 PolarHBondContact O-N 2.93Å; E46-K63 HydrophobicContact CB-CB 3.85Å; E46-K63 HydrophobicContact CB-CD 3.92Å; E46-K63 HydrophobicContact CB-CG 3.99Å; E46-K63 HydrophobicContact CG-CB 4.48Å; E46-K63 HydrophobicContact CG-CG 4.42Å; E46-K63 PolarHBondContact O-N 3.4Å; E46-K63 VanDerWaalsContact OE1-CA 3.31Å; E46-K63 WeakPolarHBondContact OE1-CA 3.17Å; E46-K63 WeakPolarHBondContact OE2-CD 3.18Å; E46-K63 WeakPolarHBondContact OE2-CE 3.47Å; E46-K63 VanDerWaalsContact OE2-CG 3.28Å; E46-K63 WeakPolarHBondContact OE2-CG 3.13Å; E46-K63 IonicContact OE2-NZ 2.85Å; E46-K63 PolarHBondContact OE2-NZ 2.86Å; E46-R64 PolarHBondContact OE1-N 2.86Å
47	D	90.3	Very high	88.6	Confident	70 Å²	70	97.7 Å²	97.7	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-83.1	-11	-175.5	-96.5	41.6	0	0	0	115.8	E43 E44 I49 R61	E43-D47 PolarHBondContact O-N 2.81Å; E44-D47 PolarHBondContact O-N 2.84Å; D47-I49 PolarHBondContact O-N 3.29Å; D47-R61 WeakPolarHBondContact OD1-CD 3.5Å; D47-R61 IonicContact OD1-CZ 3.95Å; D47-R61 IonicContact OD1-NE 3.67Å; D47-R61 IonicContact OD1-NH1 3.49Å; D47-R61 PolarHBondContact OD1-NH1 3.39Å; D47-R61 VanDerWaalsContact OD2-CD 3.27Å; D47-R61 WeakPolarHBondContact OD2-CD 3.26Å; D47-R61 IonicContact OD2-CZ 3.91Å; D47-R61 IonicContact OD2-NE 3.11Å; D47-R61 IonicContact OD2-NH1 3.34Å; D47-R61 PolarHBondContact OD2-NH1 3.39Å
48	K	94.2	Very high	89.5	Confident	90 Å²	90	92.5 Å²	92.5	39%	0.391	45%	0.445	S	S	.	.	S	Bend	trans	-53.8	129.6	171.3	-75.9	155.3	-154.2	152.4	0	112.1	E44 E45 V50 N62	E44-K48 WeakPolarHBondContact O-CD 3.23Å; E44-K48 VanDerWaalsContact O-CE 3.23Å; E44-K48 WeakPolarHBondContact O-CE 3.44Å; E44-K48 VanDerWaalsContact O-CG 3.26Å; E44-K48 WeakPolarHBondContact O-CG 3.39Å; E44-K48 PolarHBondContact O-N 3.41Å; E44-K48 VanDerWaalsContact O-N 3.13Å; E45-K48 VanDerWaalsContact OE2-CD 3.29Å; E45-K48 WeakPolarHBondContact OE2-CD 3.23Å; E45-K48 IonicContact OE2-NZ 3.42Å; E45-K48 PolarHBondContact OE2-NZ 2.82Å; K48-V50 PolarHBondContact O-N 2.83Å; K48-N62 PolarHBondContact O-N 2.84Å
49	I	94.7	Very high	90.3	Very high	77 Å²	77	88.9 Å²	88.9	40%	0.395	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	106.7	-177	-59	-57.3	0	0	0	111.6	D47 K52 H59 K60 R61	D47-I49 PolarHBondContact O-N 3.29Å; I49-K52 HydrophobicContact CG2-CG 4.24Å; I49-H59 HydrophobicContact CD1-CB 4.04Å; I49-H59 HydrophobicContact CG1-CB 4.49Å; I49-H59 HydrophobicContact CG2-CB 3.86Å; I49-K60 CarbonylContact C-O 3.6Å; I49-K60 WeakPolarHBondContact CA-O 3.49Å; I49-R61 HydrophobicContact CD1-CG 3.79Å
50	V	93.7	Very high	91.2	Very high	74 Å²	74	82.2 Å²	82.2	45%	0.448	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-20.9	-174	-60.5	0	0	0	0	114.9	K48 K60 N62	K48-V50 PolarHBondContact O-N 2.83Å; V50-K60 HydrophobicContact CG2-CB 4.36Å; V50-K60 HydrophobicContact CG2-CD 3.79Å; V50-K60 HydrophobicContact CG2-CG 3.83Å; V50-K60 PolarHBondContact N-O 3.39Å; V50-N62 HydrophobicContact CG1-CB 3.89Å
51	E	94.1	Very high	91.9	Very high	38 Å²	38	76.6 Å²	76.6	18%	0.178	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.7	177.4	-158.1	171.4	163.3	0	0	111.1	K60 W89 K137	E51-K60 HydrophobicContact CB-CB 3.94Å; E51-K60 HydrophobicContact CB-CD 3.69Å; E51-K60 HydrophobicContact CB-CG 4.44Å; E51-K60 WeakPolarHBondContact O-CB 3.4Å; E51-K60 PolarHBondContact O-N 2.94Å; E51-K60 IonicContact OE2-NZ 3.87Å; E51-K60 PolarHBondContact OE2-NZ 2.9Å; E51-W89 HydrophobicContact CB-CH2 4.16Å; E51-W89 HydrophobicContact CB-CZ2 4.13Å; E51-W89 HydrophobicContact CG-CH2 3.99Å; E51-W89 HydrophobicContact CG-CZ2 3.87Å; E51-K137 VanDerWaalsContact CD-NZ 3.27Å; E51-K137 VanDerWaalsContact OE1-CE 3.31Å; E51-K137 WeakPolarHBondContact OE1-CE 3.5Å; E51-K137 IonicContact OE1-NZ 3.18Å; E51-K137 PolarHBondContact OE1-NZ 3.34Å; E51-K137 VanDerWaalsContact OE1-NZ 3.08Å; E51-K137 IonicContact OE2-NZ 3.67Å; E51-K137 PolarHBondContact OE2-NZ 2.98Å
52	K	94.6	Very high	92.5	Very high	121 Å²	121	71.6 Å²	71.6	53%	0.526	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.4	173.5	-65.9	179.8	179.5	171	0	109.4	I49 H59	I49-K52 HydrophobicContact CG2-CG 4.24Å; K52-H59 HydrophobicContact CG-CB 4.45Å
53	S	94.6	Very high	93.1	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.028	32%	0.323	C	S	.	.			trans	-62.1	158.5	178.7	65.2	0	0	0	0	111.4	N55 S56 R57 F58	S53-N55 WeakPolarHBondContact CB-OD1 3.07Å; S53-N55 PolarHBondContact O-N 3.19Å; S53-N55 PolarHBondContact OG-OD1 3.36Å; S53-S56 PolarHBondContact O-N 2.83Å; S53-R57 PolarHBondContact OG-N 3.29Å; S53-F58 PolarHBondContact N-O 3.46Å; S53-F58 PolarHBondContact OG-N 3.21Å; S53-F58 PolarHBondContact OG-O 3.5Å
54	H	90.6	Very high	93.5	Very high	120 Å²	120	68.2 Å²	68.2	56%	0.556	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-5	-177.9	80	82.8	0	0	0	115.4	W127	H54-W127 AromaticContact CD2-CD2 3.54Å; H54-W127 AromaticContact CD2-CE3 3.62Å; H54-W127 AromaticContact CD2-CG 3.6Å
55	N	92.6	Very high	93.8	Very high	67 Å²	67	63.6 Å²	63.6	36%	0.358	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	13.7	179.7	57	9.8	0	0	0	112	S53 R57 D125	S53-N55 WeakPolarHBondContact CB-OD1 3.07Å; S53-N55 PolarHBondContact O-N 3.19Å; S53-N55 PolarHBondContact OG-OD1 3.36Å; N55-R57 PolarHBondContact O-N 3.45Å; N55-R57 WeakPolarHBondContact OD1-CB 3.5Å; N55-R57 PolarHBondContact OD1-N 3.44Å; N55-D125 PolarHBondContact ND2-OD2 3.17Å
56	S	93.2	Very high	93.6	Very high	80 Å²	80	63.8 Å²	63.8	56%	0.559	31%	0.312	S	S	*	.	S	Bend	trans	52.1	14.9	-177.6	-59.9	0	0	0	0	116.1	S53 H59	S53-S56 PolarHBondContact O-N 2.83Å; S56-H59 PolarHBondContact O-CD2 3.06Å; S56-H59 PolarHBondContact O-NE2 2.77Å
57	R	96.3	Very high	93.2	Very high	87 Å²	87	67.1 Å²	67.1	33%	0.328	33%	0.326	S	S	.	.	S	Bend	trans	-78.6	-32.6	-176.8	-177	177.3	175.8	-161.1	-2.4	113.4	S53 N55 E80 P81	S53-R57 PolarHBondContact OG-N 3.29Å; N55-R57 PolarHBondContact O-N 3.45Å; N55-R57 WeakPolarHBondContact OD1-CB 3.5Å; N55-R57 PolarHBondContact OD1-N 3.44Å; R57-E80 HydrophobicContact CG-CG 4.4Å; R57-E80 IonicContact CZ-OE1 2.94Å; R57-E80 IonicContact NE-OE1 2.71Å; R57-E80 PolarHBondContact NE-OE1 3.43Å; R57-E80 IonicContact NH2-OE1 2.72Å; R57-E80 PolarHBondContact NH2-OE1 3.05Å; R57-P81 WeakPolarHBondContact O-CD 3.27Å
58	F	97.5	Very high	92.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.322	C	S	.	.			trans	-124.4	127.8	-178.4	-53.4	-74.4	0	0	0	109.3	S53 I79 E80 V87 W89 L124 D125 I141	S53-F58 PolarHBondContact N-O 3.46Å; S53-F58 PolarHBondContact OG-N 3.21Å; S53-F58 PolarHBondContact OG-O 3.5Å; F58-I79 CarbonylContact C-O 3.55Å; F58-I79 WeakPolarHBondContact CA-O 3.39Å; F58-E80 HydrophobicContact CD1-CB 3.93Å; F58-E80 HydrophobicContact CD1-CG 4.41Å; F58-E80 HydrophobicContact CE1-CB 3.96Å; F58-E80 HydrophobicContact CE1-CG 4.16Å; F58-V87 HydrophobicContact CD1-CG1 4.42Å; F58-V87 HydrophobicContact CD1-CG2 3.75Å; F58-V87 HydrophobicContact CE1-CG1 4.25Å; F58-V87 HydrophobicContact CE1-CG2 4.31Å; F58-V87 HydrophobicContact CG-CG2 4.49Å; F58-W89 HydrophobicContact CB-CE3 4.47Å; F58-W89 HydrophobicContact CB-CZ3 4.37Å; F58-L124 HydrophobicContact CE1-CB 4.48Å; F58-L124 HydrophobicContact CE1-CD1 4.22Å; F58-L124 HydrophobicContact CZ-CB 3.89Å; F58-L124 HydrophobicContact CZ-CD1 4.43Å; F58-D125 HydrophobicContact CE2-CB 3.98Å; F58-I141 HydrophobicContact CD1-CG2 4.15Å; F58-I141 HydrophobicContact CD2-CG1 4.02Å; F58-I141 HydrophobicContact CD2-CG2 4.41Å; F58-I141 HydrophobicContact CE1-CG2 4.2Å; F58-I141 HydrophobicContact CE2-CG1 4.42Å; F58-I141 HydrophobicContact CE2-CG2 4.47Å; F58-I141 HydrophobicContact CG-CG1 4.35Å; F58-I141 HydrophobicContact CG-CG2 4.24Å; F58-I141 HydrophobicContact CZ-CG2 4.36Å
59	H	97.1	Very high	91.5	Very high	38 Å²	38	63.2 Å²	63.2	18%	0.176	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.4	-179.6	-66.4	-168.3	0	0	0	107.1	I49 K52 S56 A78 I79 P81	I49-H59 HydrophobicContact CD1-CB 4.04Å; I49-H59 HydrophobicContact CG1-CB 4.49Å; I49-H59 HydrophobicContact CG2-CB 3.86Å; K52-H59 HydrophobicContact CG-CB 4.45Å; S56-H59 PolarHBondContact O-CD2 3.06Å; S56-H59 PolarHBondContact O-NE2 2.77Å; H59-A78 CarbonylContact O-C 3.54Å; H59-A78 WeakPolarHBondContact O-CA 3.33Å; H59-A78 VanDerWaalsContact O-CB 3.3Å; H59-A78 WeakPolarHBondContact O-CB 3.35Å; H59-I79 HydrophobicContact CB-CG2 4.09Å; H59-I79 PolarHBondContact N-O 3.17Å; H59-I79 PolarHBondContact O-N 3.09Å; H59-P81 HydrophobicContact CB-CG 4.39Å
60	K	97.3	Very high	90.6	Very high	11 Å²	11	62.2 Å²	62.2	5%	0.048	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.6	-176.7	179.2	-171.7	172.2	-179.3	0	109.4	I49 V50 E51 F76 W89 E91	I49-K60 CarbonylContact C-O 3.6Å; I49-K60 WeakPolarHBondContact CA-O 3.49Å; V50-K60 HydrophobicContact CG2-CB 4.36Å; V50-K60 HydrophobicContact CG2-CD 3.79Å; V50-K60 HydrophobicContact CG2-CG 3.83Å; V50-K60 PolarHBondContact N-O 3.39Å; E51-K60 HydrophobicContact CB-CB 3.94Å; E51-K60 HydrophobicContact CB-CD 3.69Å; E51-K60 HydrophobicContact CB-CG 4.44Å; E51-K60 WeakPolarHBondContact O-CB 3.4Å; E51-K60 PolarHBondContact O-N 2.94Å; E51-K60 IonicContact OE2-NZ 3.87Å; E51-K60 PolarHBondContact OE2-NZ 2.9Å; K60-F76 HydrophobicContact CD-CD2 4.46Å; K60-F76 HydrophobicContact CD-CG 4.44Å; K60-F76 VanDerWaalsContact CE-CE2 3.44Å; K60-F76 HydrophobicContact CG-CB 4.1Å; K60-F76 HydrophobicContact CG-CG 4.41Å; K60-F76 VanDerWaalsContact NZ-CE2 3.34Å; K60-W89 HydrophobicContact CB-CD2 3.96Å; K60-W89 HydrophobicContact CB-CE3 3.82Å; K60-W89 HydrophobicContact CB-CG 4.5Å; K60-W89 HydrophobicContact CB-CH2 4.28Å; K60-W89 HydrophobicContact CB-CZ2 4.43Å; K60-W89 HydrophobicContact CB-CZ3 3.98Å; K60-W89 HydrophobicContact CD-CD2 4.08Å; K60-W89 HydrophobicContact CD-CG 4.23Å; K60-W89 HydrophobicContact CD-CZ2 4.14Å; K60-W89 HydrophobicContact CG-CD2 4.12Å; K60-W89 HydrophobicContact CG-CE3 4.47Å; K60-W89 HydrophobicContact CG-CG 4.21Å; K60-E91 IonicContact NZ-OE1 2.63Å; K60-E91 PolarHBondContact NZ-OE1 2.92Å; K60-E91 IonicContact NZ-OE2 3.52Å
61	R	96.2	Very high	89.9	Confident	22 Å²	22	60.6 Å²	60.6	8%	0.083	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	162.2	169.6	-79	-169.3	-84.1	176.7	-4.4	110.6	E46 D47 I49 K63 V77 E86	E46-R61 WeakPolarHBondContact O-CB 3.17Å; D47-R61 WeakPolarHBondContact OD1-CD 3.5Å; D47-R61 IonicContact OD1-CZ 3.95Å; D47-R61 IonicContact OD1-NE 3.67Å; D47-R61 IonicContact OD1-NH1 3.49Å; D47-R61 PolarHBondContact OD1-NH1 3.39Å; D47-R61 VanDerWaalsContact OD2-CD 3.27Å; D47-R61 WeakPolarHBondContact OD2-CD 3.26Å; D47-R61 IonicContact OD2-CZ 3.91Å; D47-R61 IonicContact OD2-NE 3.11Å; D47-R61 IonicContact OD2-NH1 3.34Å; D47-R61 PolarHBondContact OD2-NH1 3.39Å; I49-R61 HydrophobicContact CD1-CG 3.79Å; R61-K63 HydrophobicContact CB-CB 4.01Å; R61-V77 PolarHBondContact N-O 3.43Å; R61-V77 VanDerWaalsContact NH2-CG1 3.35Å; R61-E86 IonicContact CZ-OE1 3.68Å; R61-E86 IonicContact NH1-OE1 3.18Å; R61-E86 IonicContact NH2-OE1 2.71Å; R61-E86 PolarHBondContact NH2-OE1 2.86Å; R61-E86 IonicContact NH2-OE2 3.49Å
62	N	95.3	Very high	89.7	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-31	170.5	-157.1	18.8	0	0	0	110.5	E45 E46 K48 V50 R64	E45-N62 WeakPolarHBondContact O-CB 3.33Å; E45-N62 PolarHBondContact O-ND2 2.78Å; E45-N62 PolarHBondContact OE1-ND2 3.3Å; E46-N62 CarbonylContact O-C 3.51Å; E46-N62 WeakPolarHBondContact O-CA 3.27Å; E46-N62 WeakPolarHBondContact O-CB 3.19Å; E46-N62 PolarHBondContact O-N 2.93Å; K48-N62 PolarHBondContact O-N 2.84Å; V50-N62 HydrophobicContact CG1-CB 3.89Å; N62-R64 PolarHBondContact O-N 3.5Å; N62-R64 VanDerWaalsContact O-N 3.09Å
63	K	94.5	Very high	89.4	Confident	39 Å²	39	56.4 Å²	56.4	17%	0.17	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-39.7	106.3	176.5	-157.1	142.8	-158.1	106.2	0	112.3	E43 E46 R61 V77	E43-K63 IonicContact OE1-NZ 3.57Å; E43-K63 PolarHBondContact OE1-NZ 3.13Å; E46-K63 HydrophobicContact CB-CB 3.85Å; E46-K63 HydrophobicContact CB-CD 3.92Å; E46-K63 HydrophobicContact CB-CG 3.99Å; E46-K63 HydrophobicContact CG-CB 4.48Å; E46-K63 HydrophobicContact CG-CG 4.42Å; E46-K63 PolarHBondContact O-N 3.4Å; E46-K63 VanDerWaalsContact OE1-CA 3.31Å; E46-K63 WeakPolarHBondContact OE1-CA 3.17Å; E46-K63 WeakPolarHBondContact OE2-CD 3.18Å; E46-K63 WeakPolarHBondContact OE2-CE 3.47Å; E46-K63 VanDerWaalsContact OE2-CG 3.28Å; E46-K63 WeakPolarHBondContact OE2-CG 3.13Å; E46-K63 IonicContact OE2-NZ 2.85Å; E46-K63 PolarHBondContact OE2-NZ 2.86Å; R61-K63 HydrophobicContact CB-CB 4.01Å; K63-V77 HydrophobicContact CB-CB 4.23Å; K63-V77 HydrophobicContact CB-CG2 4.29Å; K63-V77 HydrophobicContact CG-CG2 4.11Å; K63-V77 PolarHBondContact O-N 3.49Å
64	R	92.8	Very high	89.3	Confident	156 Å²	156	58.1 Å²	58.1	59%	0.589	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	146.8	-173.5	-72.5	-177.5	175.3	-89.4	0.8	110.5	E46 N62 F76	E46-R64 PolarHBondContact OE1-N 2.86Å; N62-R64 PolarHBondContact O-N 3.5Å; N62-R64 VanDerWaalsContact O-N 3.09Å; R64-F76 HydrophobicContact CG-CD1 4.16Å; R64-F76 HydrophobicContact CG-CE1 4.01Å
65	F	90.3	Very high	89.5	Confident	41 Å²	41	52.6 Å²	52.6	18%	0.18	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.9	177	-162.4	-96.8	0	0	0	111.1	K67 Q68 A75 V77 I88	F65-K67 PolarHBondContact O-N 2.96Å; F65-Q68 HydrophobicContact CE1-CG 4.32Å; F65-A75 HydrophobicContact CB-CB 4.09Å; F65-A75 HydrophobicContact CD1-CB 4.4Å; F65-A75 PolarHBondContact N-O 3.43Å; F65-V77 HydrophobicContact CB-CG2 4.42Å; F65-V77 HydrophobicContact CD2-CG2 4.05Å; F65-I88 HydrophobicContact CD1-CD1 3.98Å; F65-I88 HydrophobicContact CD1-CG1 4.4Å; F65-I88 HydrophobicContact CD1-CG2 4.08Å; F65-I88 HydrophobicContact CD2-CD1 3.66Å; F65-I88 HydrophobicContact CE1-CD1 4.06Å; F65-I88 HydrophobicContact CE1-CG1 4.32Å; F65-I88 HydrophobicContact CE2-CD1 3.75Å; F65-I88 HydrophobicContact CG-CD1 3.77Å; F65-I88 HydrophobicContact CG-CG2 4.48Å; F65-I88 HydrophobicContact CZ-CD1 3.95Å; F65-I88 HydrophobicContact CZ-CG1 4.49Å
66	P	85.6	Confident	89.7	Confident	98 Å²	98	50 Å²	50	64%	0.636	25%	0.253	S	S	*	.			trans	-55.3	133.4	179.6	-28.6	36.2	0	0	0	113	Q68	P66-Q68 PolarHBondContact O-N 3.31Å
67	K	82.8	Confident	89.8	Confident	134 Å²	134	46.3 Å²	46.3	58%	0.583	23%	0.227	S	C	*	.			trans	-69.6	105.5	179.8	-54.7	-173.4	-160.1	-170.8	0	109.8	F65 D73	F65-K67 PolarHBondContact O-N 2.96Å; K67-D73 WeakPolarHBondContact CD-O 3.37Å; K67-D73 WeakPolarHBondContact CE-O 3.42Å; K67-D73 PolarHBondContact NZ-O 3.48Å
68	Q	72.7	Confident	89.9	Confident	63 Å²	63	42.1 Å²	42.1	29%	0.294	21%	0.211	S	C	.	.			trans	-73.6	-28.5	-176	-63.6	-176.8	-19.6	0	0	113.9	F65 P66 Y194	F65-Q68 HydrophobicContact CE1-CG 4.32Å; P66-Q68 PolarHBondContact O-N 3.31Å; Q68-Y194 PolarHBondContact NE2-OH 3.44Å
69	I	74.7	Confident	89.8	Confident	15 Å²	15	44.6 Å²	44.6	8%	0.077	22%	0.224	C	C	.	.	S	Bend	trans	-139.5	149.5	-158.2	-94	80.5	0	0	0	113.9	G71 V72 N187 L205 F206	I69-G71 PolarHBondContact O-N 2.92Å; I69-V72 HydrophobicContact CG2-CG2 4.06Å; I69-V72 PolarHBondContact O-N 2.58Å; I69-N187 WeakPolarHBondContact CD1-ND2 3.48Å; I69-N187 HydrophobicContact CG1-CB 4.36Å; I69-N187 WeakPolarHBondContact CG1-ND2 3.48Å; I69-L205 HydrophobicContact CD1-CB 3.57Å; I69-L205 VanDerWaalsContact CD1-O 3.32Å; I69-L205 WeakPolarHBondContact CD1-O 3.43Å; I69-L205 HydrophobicContact CG1-CB 4.09Å; I69-F206 WeakPolarHBondContact CG2-O 3.32Å
70	E	75.6	Confident	89.8	Confident	56 Å²	56	44.1 Å²	44.1	26%	0.262	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	119.8	166.1	-165.1	170.5	109	0	0	113.5	R210 R611	E70-R210 IonicContact OE1-CZ 2.65Å; E70-R210 IonicContact OE1-NE 3.6Å; E70-R210 PolarHBondContact OE1-NE 3.48Å; E70-R210 VanDerWaalsContact OE1-NE 3.09Å; E70-R210 IonicContact OE1-NH2 3.08Å; E70-R210 PolarHBondContact OE1-NH2 2.81Å; E70-R210 IonicContact OE2-CZ 2.69Å; E70-R210 IonicContact OE2-NE 2.73Å; E70-R210 IonicContact OE2-NH2 2.71Å; E70-R210 PolarHBondContact OE2-NH2 3.39Å; E70-R210 VanDerWaalsContact OE2-NH2 3.11Å; E70-R611 VanDerWaalsContact CB-NH2 3.33Å; E70-R611 IonicContact OE2-CZ 2.59Å; E70-R611 IonicContact OE2-NE 3.4Å; E70-R611 PolarHBondContact OE2-NE 2.95Å; E70-R611 VanDerWaalsContact OE2-NE 3.1Å; E70-R611 IonicContact OE2-NH2 3.12Å; E70-R611 PolarHBondContact OE2-NH2 3.14Å
71	G	80.4	Confident	89.6	Confident	39 Å²	39	46.7 Å²	46.7	40%	0.402	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	10.4	177.3	0	0	0	0	0	115.1	I69 C92	I69-G71 PolarHBondContact O-N 2.92Å; G71-C92 PolarHBondContact O-SG 3.4Å
72	V	88.3	Confident	89.4	Confident	10 Å²	10	55.3 Å²	55.3	6%	0.061	28%	0.277	C	S	.	.			trans	-100.5	118.1	159.1	176.8	0	0	0	0	107.5	I69 N74 N90 F140	I69-V72 HydrophobicContact CG2-CG2 4.06Å; I69-V72 PolarHBondContact O-N 2.58Å; V72-N74 VanDerWaalsContact CG1-O 3.24Å; V72-N74 WeakPolarHBondContact CG1-O 3.29Å; V72-N90 HydrophobicContact CG1-CB 4.09Å; V72-F140 HydrophobicContact CG2-CE1 4.33Å; V72-F140 HydrophobicContact CG2-CZ 3.87Å
73	D	90	Very high	89.2	Confident	61 Å²	61	55.6 Å²	55.6	33%	0.326	28%	0.283	S	S	.	.			trans	-83.2	-34.8	-173.7	-65.7	-81.7	0	0	0	112.1	K67 E91 C92 I93	K67-D73 WeakPolarHBondContact CD-O 3.37Å; K67-D73 WeakPolarHBondContact CE-O 3.42Å; K67-D73 PolarHBondContact NZ-O 3.48Å; D73-E91 PolarHBondContact N-O 3.43Å; D73-C92 WeakPolarHBondContact OD2-CA 3.37Å; D73-I93 HydrophobicContact CB-CB 4.47Å; D73-I93 HydrophobicContact CB-CD1 3.96Å; D73-I93 HydrophobicContact CB-CG1 3.9Å; D73-I93 PolarHBondContact OD2-N 3.07Å
74	N	92.6	Very high	89	Confident	40 Å²	40	56.2 Å²	56.2	21%	0.214	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.2	170.1	-59.2	-71	0	0	0	111.1	V72 F76 E91	V72-N74 VanDerWaalsContact CG1-O 3.24Å; V72-N74 WeakPolarHBondContact CG1-O 3.29Å; N74-F76 HydrophobicContact CB-CD2 4.1Å; N74-F76 HydrophobicContact CB-CE2 3.45Å; N74-F76 VanDerWaalsContact CB-CE2 3.45Å; N74-F76 HydrophobicContact CB-CZ 4.22Å; N74-E91 HydrophobicContact CB-CB 4.33Å; N74-E91 PolarHBondContact N-O 3.27Å; N74-E91 VanDerWaalsContact N-O 3.16Å; N74-E91 PolarHBondContact O-N 2.95Å
75	A	94.6	Very high	89.1	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.033	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.4	164.2	0	0	0	0	0	109.3	F65 I88 W89	F65-A75 HydrophobicContact CB-CB 4.09Å; F65-A75 HydrophobicContact CD1-CB 4.4Å; F65-A75 PolarHBondContact N-O 3.43Å; A75-I88 HydrophobicContact CB-CG2 4.27Å; A75-W89 WeakPolarHBondContact CA-O 3.34Å
76	F	96	Very high	89.3	Confident	12 Å²	12	56.5 Å²	56.5	5%	0.053	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.8	-178.2	-64.5	-95.9	0	0	0	109.6	K60 R64 N74 W89	K60-F76 HydrophobicContact CD-CD2 4.46Å; K60-F76 HydrophobicContact CD-CG 4.44Å; K60-F76 VanDerWaalsContact CE-CE2 3.44Å; K60-F76 HydrophobicContact CG-CB 4.1Å; K60-F76 HydrophobicContact CG-CG 4.41Å; K60-F76 VanDerWaalsContact NZ-CE2 3.34Å; R64-F76 HydrophobicContact CG-CD1 4.16Å; R64-F76 HydrophobicContact CG-CE1 4.01Å; N74-F76 HydrophobicContact CB-CD2 4.1Å; N74-F76 HydrophobicContact CB-CE2 3.45Å; N74-F76 VanDerWaalsContact CB-CE2 3.45Å; N74-F76 HydrophobicContact CB-CZ 4.22Å; F76-W89 HydrophobicContact CB-CB 4.42Å; F76-W89 PolarHBondContact N-O 3.34Å; F76-W89 PolarHBondContact O-N 2.92Å
77	V	95.6	Very high	89.8	Confident	3 Å²	3	52 Å²	52	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142	166.1	-168.3	0	0	0	0	108.8	R61 K63 F65 E86	R61-V77 PolarHBondContact N-O 3.43Å; R61-V77 VanDerWaalsContact NH2-CG1 3.35Å; K63-V77 HydrophobicContact CB-CB 4.23Å; K63-V77 HydrophobicContact CB-CG2 4.29Å; K63-V77 HydrophobicContact CG-CG2 4.11Å; K63-V77 PolarHBondContact O-N 3.49Å; F65-V77 HydrophobicContact CB-CG2 4.42Å; F65-V77 HydrophobicContact CD2-CG2 4.05Å; V77-E86 HydrophobicContact CG1-CB 4.33Å; V77-E86 HydrophobicContact CG1-CG 4.35Å; V77-E86 WeakPolarHBondContact CG1-OE2 3.41Å
78	A	97.2	Very high	90.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.7	171.5	0	0	0	0	0	109.3	H59 E86 V87 W89	H59-A78 CarbonylContact O-C 3.54Å; H59-A78 WeakPolarHBondContact O-CA 3.33Å; H59-A78 VanDerWaalsContact O-CB 3.3Å; H59-A78 WeakPolarHBondContact O-CB 3.35Å; A78-E86 CarbonylContact O-C 3.59Å; A78-E86 WeakPolarHBondContact O-CA 3.35Å; A78-V87 HydrophobicContact CB-CG2 3.79Å; A78-V87 PolarHBondContact N-O 2.58Å; A78-V87 PolarHBondContact O-N 2.84Å; A78-V87 VanDerWaalsContact O-O 3.13Å; A78-W89 HydrophobicContact CB-CB 3.98Å; A78-W89 HydrophobicContact CB-CE3 4.18Å
79	I	96.3	Very high	91.6	Very high	52 Å²	52	42.8 Å²	42.8	27%	0.267	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.9	175.1	-169.1	166.9	0	0	0	110.2	F58 H59 P81 K85	F58-I79 CarbonylContact C-O 3.55Å; F58-I79 WeakPolarHBondContact CA-O 3.39Å; H59-I79 HydrophobicContact CB-CG2 4.09Å; H59-I79 PolarHBondContact N-O 3.17Å; H59-I79 PolarHBondContact O-N 3.09Å; I79-P81 HydrophobicContact CG2-CG 4.39Å; I79-P81 WeakPolarHBondContact O-CD 3.47Å; I79-K85 WeakPolarHBondContact CA-O 3.27Å
80	E	96.8	Very high	92.6	Very high	28 Å²	28	42.3 Å²	42.3	13%	0.131	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	99.5	161.7	178.6	177.7	-136	0	0	108.6	R57 F58 K82 S83 G84 K85	R57-E80 HydrophobicContact CG-CG 4.4Å; R57-E80 IonicContact CZ-OE1 2.94Å; R57-E80 IonicContact NE-OE1 2.71Å; R57-E80 PolarHBondContact NE-OE1 3.43Å; R57-E80 IonicContact NH2-OE1 2.72Å; R57-E80 PolarHBondContact NH2-OE1 3.05Å; F58-E80 HydrophobicContact CD1-CB 3.93Å; F58-E80 HydrophobicContact CD1-CG 4.41Å; F58-E80 HydrophobicContact CE1-CB 3.96Å; F58-E80 HydrophobicContact CE1-CG 4.16Å; E80-K82 PolarHBondContact O-N 3.34Å; E80-S83 WeakPolarHBondContact CB-OG 3.01Å; E80-S83 WeakPolarHBondContact CG-OG 3.45Å; E80-S83 PolarHBondContact O-N 3.12Å; E80-S83 PolarHBondContact O-OG 2.9Å; E80-S83 WeakPolarHBondContact OE2-CB 3.49Å; E80-S83 PolarHBondContact OE2-OG 2.95Å; E80-G84 PolarHBondContact O-N 3.19Å; E80-K85 PolarHBondContact N-O 3.29Å
81	P	93.8	Very high	93.4	Very high	65 Å²	65	40.1 Å²	40.1	42%	0.422	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.2	-169.4	-22.9	34.2	0	0	0	113.8	R57 H59 I79 S83	R57-P81 WeakPolarHBondContact O-CD 3.27Å; H59-P81 HydrophobicContact CB-CG 4.39Å; I79-P81 HydrophobicContact CG2-CG 4.39Å; I79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-S83 VanDerWaalsContact C-N 3.29Å; P81-S83 PolarHBondContact O-N 3.01Å
82	K	92	Very high	93.9	Very high	202 Å²	202	38.5 Å²	38.5	88%	0.878	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.3	176.8	-65.4	-165.7	175.7	-168	0	114.4	E80	E80-K82 PolarHBondContact O-N 3.34Å
83	S	90.3	Very high	94	Very high	50 Å²	50	42.2 Å²	42.2	35%	0.35	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-7.8	-179	71.8	0	0	0	0	113.9	E80 P81 K85	E80-S83 WeakPolarHBondContact CB-OG 3.01Å; E80-S83 WeakPolarHBondContact CG-OG 3.45Å; E80-S83 PolarHBondContact O-N 3.12Å; E80-S83 PolarHBondContact O-OG 2.9Å; E80-S83 WeakPolarHBondContact OE2-CB 3.49Å; E80-S83 PolarHBondContact OE2-OG 2.95Å; P81-S83 VanDerWaalsContact C-N 3.29Å; P81-S83 PolarHBondContact O-N 3.01Å; S83-K85 PolarHBondContact O-N 3.34Å; S83-K85 WeakPolarHBondContact OG-CB 3.47Å; S83-K85 WeakPolarHBondContact OG-CG 3.19Å; S83-K85 PolarHBondContact OG-N 2.87Å
84	G	91.5	Very high	93.9	Very high	52 Å²	52	40.2 Å²	40.2	54%	0.536	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	6.8	-173.4	0	0	0	0	0	113.8	E80	E80-G84 PolarHBondContact O-N 3.19Å
85	K	93.4	Very high	93.5	Very high	134 Å²	134	41.7 Å²	41.7	58%	0.583	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	136.6	-170.8	-64.4	-172.2	179.3	-168.4	0	112.3	I79 E80 S83	I79-K85 WeakPolarHBondContact CA-O 3.27Å; E80-K85 PolarHBondContact N-O 3.29Å; S83-K85 PolarHBondContact O-N 3.34Å; S83-K85 WeakPolarHBondContact OG-CB 3.47Å; S83-K85 WeakPolarHBondContact OG-CG 3.19Å; S83-K85 PolarHBondContact OG-N 2.87Å
86	E	95.3	Very high	92.7	Very high	69 Å²	69	49.4 Å²	49.4	32%	0.322	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.3	166.2	-59.9	-160.8	177.6	0	0	112.5	R61 V77 A78 R144	R61-E86 IonicContact CZ-OE1 3.68Å; R61-E86 IonicContact NH1-OE1 3.18Å; R61-E86 IonicContact NH2-OE1 2.71Å; R61-E86 PolarHBondContact NH2-OE1 2.86Å; R61-E86 IonicContact NH2-OE2 3.49Å; V77-E86 HydrophobicContact CG1-CB 4.33Å; V77-E86 HydrophobicContact CG1-CG 4.35Å; V77-E86 WeakPolarHBondContact CG1-OE2 3.41Å; A78-E86 CarbonylContact O-C 3.59Å; A78-E86 WeakPolarHBondContact O-CA 3.35Å; E86-R144 HydrophobicContact CB-CB 4.44Å; E86-R144 WeakPolarHBondContact OE2-CD 3.48Å; E86-R144 IonicContact OE2-CZ 2.8Å; E86-R144 IonicContact OE2-NE 2.75Å; E86-R144 PolarHBondContact OE2-NE 3.31Å; E86-R144 IonicContact OE2-NH1 3.65Å; E86-R144 PolarHBondContact OE2-NH1 3.26Å
87	V	96	Very high	92	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.5	178.8	-56.7	0	0	0	0	108.5	F58 A78 L124 I141 T142	F58-V87 HydrophobicContact CD1-CG1 4.42Å; F58-V87 HydrophobicContact CD1-CG2 3.75Å; F58-V87 HydrophobicContact CE1-CG1 4.25Å; F58-V87 HydrophobicContact CE1-CG2 4.31Å; F58-V87 HydrophobicContact CG-CG2 4.49Å; A78-V87 HydrophobicContact CB-CG2 3.79Å; A78-V87 PolarHBondContact N-O 2.58Å; A78-V87 PolarHBondContact O-N 2.84Å; A78-V87 VanDerWaalsContact O-O 3.13Å; V87-L124 HydrophobicContact CB-CD1 4.06Å; V87-L124 HydrophobicContact CG1-CD1 3.47Å; V87-L124 VanDerWaalsContact CG1-CD1 3.47Å; V87-I141 HydrophobicContact CB-CG2 3.79Å; V87-I141 HydrophobicContact CG2-CG2 3.52Å; V87-T142 CarbonylContact C-O 3.24Å; V87-T142 WeakPolarHBondContact CA-O 3.18Å; V87-T142 WeakPolarHBondContact CB-O 3.35Å
88	I	96.2	Very high	91.2	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.5	176.7	-54.3	-53.7	0	0	0	109.6	F65 A75 N90 I141 T142 R144	F65-I88 HydrophobicContact CD1-CD1 3.98Å; F65-I88 HydrophobicContact CD1-CG1 4.4Å; F65-I88 HydrophobicContact CD1-CG2 4.08Å; F65-I88 HydrophobicContact CD2-CD1 3.66Å; F65-I88 HydrophobicContact CE1-CD1 4.06Å; F65-I88 HydrophobicContact CE1-CG1 4.32Å; F65-I88 HydrophobicContact CE2-CD1 3.75Å; F65-I88 HydrophobicContact CG-CD1 3.77Å; F65-I88 HydrophobicContact CG-CG2 4.48Å; F65-I88 HydrophobicContact CZ-CD1 3.95Å; F65-I88 HydrophobicContact CZ-CG1 4.49Å; A75-I88 HydrophobicContact CB-CG2 4.27Å; I88-N90 PolarHBondContact O-ND2 3.05Å; I88-I141 WeakPolarHBondContact O-CA 3.35Å; I88-T142 PolarHBondContact N-O 3.21Å; I88-T142 PolarHBondContact O-N 2.86Å; I88-R144 HydrophobicContact CD1-CB 4.19Å; I88-R144 HydrophobicContact CD1-CG 3.99Å; I88-R144 HydrophobicContact CG1-CB 4.26Å; I88-R144 HydrophobicContact CG1-CG 4.43Å
89	W	96.6	Very high	90.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.9	175.6	180	-66	0	0	0	109	E51 F58 K60 A75 F76 A78 E91 W127 V139 I141	E51-W89 HydrophobicContact CB-CH2 4.16Å; E51-W89 HydrophobicContact CB-CZ2 4.13Å; E51-W89 HydrophobicContact CG-CH2 3.99Å; E51-W89 HydrophobicContact CG-CZ2 3.87Å; F58-W89 HydrophobicContact CB-CE3 4.47Å; F58-W89 HydrophobicContact CB-CZ3 4.37Å; K60-W89 HydrophobicContact CB-CD2 3.96Å; K60-W89 HydrophobicContact CB-CE3 3.82Å; K60-W89 HydrophobicContact CB-CG 4.5Å; K60-W89 HydrophobicContact CB-CH2 4.28Å; K60-W89 HydrophobicContact CB-CZ2 4.43Å; K60-W89 HydrophobicContact CB-CZ3 3.98Å; K60-W89 HydrophobicContact CD-CD2 4.08Å; K60-W89 HydrophobicContact CD-CG 4.23Å; K60-W89 HydrophobicContact CD-CZ2 4.14Å; K60-W89 HydrophobicContact CG-CD2 4.12Å; K60-W89 HydrophobicContact CG-CE3 4.47Å; K60-W89 HydrophobicContact CG-CG 4.21Å; A75-W89 WeakPolarHBondContact CA-O 3.34Å; F76-W89 HydrophobicContact CB-CB 4.42Å; F76-W89 PolarHBondContact N-O 3.34Å; F76-W89 PolarHBondContact O-N 2.92Å; A78-W89 HydrophobicContact CB-CB 3.98Å; A78-W89 HydrophobicContact CB-CE3 4.18Å; W89-E91 PolarHBondContact NE1-OE1 3.38Å; W89-W127 HydrophobicContact CE3-CH2 4.28Å; W89-W127 AromaticContact CH2-CH2 3.83Å; W89-W127 HydrophobicContact CH2-CH2 3.83Å; W89-W127 AromaticContact CH2-CZ2 3.51Å; W89-W127 HydrophobicContact CH2-CZ2 3.51Å; W89-W127 HydrophobicContact CZ2-CH2 4.24Å; W89-W127 AromaticContact CZ2-CZ2 3.73Å; W89-W127 HydrophobicContact CZ2-CZ2 3.73Å; W89-W127 AromaticContact CZ3-CH2 3.83Å; W89-W127 HydrophobicContact CZ3-CH2 3.83Å; W89-W127 HydrophobicContact CZ3-CZ2 4.02Å; W89-V139 HydrophobicContact CD2-CG1 4Å; W89-V139 HydrophobicContact CG-CG1 4.32Å; W89-V139 HydrophobicContact CZ2-CG1 3.9Å; W89-I141 HydrophobicContact CB-CD1 3.9Å; W89-I141 HydrophobicContact CD2-CD1 3.63Å; W89-I141 HydrophobicContact CE3-CD1 3.47Å; W89-I141 VanDerWaalsContact CE3-CD1 3.47Å; W89-I141 HydrophobicContact CG-CD1 3.83Å; W89-I141 HydrophobicContact CZ3-CD1 4.32Å
90	N	95.3	Very high	89.5	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.3	-177.7	-55.3	-92.3	0	0	0	110.2	V72 I88 V139 F140 T142 L205	V72-N90 HydrophobicContact CG1-CB 4.09Å; I88-N90 PolarHBondContact O-ND2 3.05Å; N90-V139 WeakPolarHBondContact O-CA 3.45Å; N90-F140 HydrophobicContact CB-CD1 4.1Å; N90-F140 HydrophobicContact CB-CD2 3.85Å; N90-F140 HydrophobicContact CB-CE1 3.75Å; N90-F140 HydrophobicContact CB-CE2 3.46Å; N90-F140 VanDerWaalsContact CB-CE2 3.46Å; N90-F140 HydrophobicContact CB-CG 4.15Å; N90-F140 HydrophobicContact CB-CZ 3.42Å; N90-F140 VanDerWaalsContact CB-CZ 3.42Å; N90-F140 WeakPolarHBondContact CB-O 3.48Å; N90-F140 VanDerWaalsContact CG-CE2 3.5Å; N90-F140 PolarHBondContact N-O 3.39Å; N90-F140 PolarHBondContact ND2-O 3.14Å; N90-F140 PolarHBondContact O-N 3.4Å; N90-T142 PolarHBondContact ND2-OG1 3.09Å; N90-L205 WeakPolarHBondContact OD1-CD1 3.47Å
91	E	93.7	Very high	88.8	Confident	11 Å²	11	73.3 Å²	73.3	5%	0.051	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.3	-179.9	-51	-169.9	151.7	0	0	111	K60 D73 N74 W89 K137 L138	K60-E91 IonicContact NZ-OE1 2.63Å; K60-E91 PolarHBondContact NZ-OE1 2.92Å; K60-E91 IonicContact NZ-OE2 3.52Å; D73-E91 PolarHBondContact N-O 3.43Å; N74-E91 HydrophobicContact CB-CB 4.33Å; N74-E91 PolarHBondContact N-O 3.27Å; N74-E91 VanDerWaalsContact N-O 3.16Å; N74-E91 PolarHBondContact O-N 2.95Å; W89-E91 PolarHBondContact NE1-OE1 3.38Å; E91-K137 HydrophobicContact CB-CD 4.38Å; E91-K137 HydrophobicContact CG-CD 4.33Å; E91-K137 IonicContact OE1-NZ 2.77Å; E91-K137 PolarHBondContact OE1-NZ 3.48Å; E91-K137 IonicContact OE2-NZ 2.72Å; E91-L138 WeakPolarHBondContact CA-O 3.38Å
92	C	91.2	Very high	88.3	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.034	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.9	170.2	-50.4	0	0	0	0	109	G71 D73 L94 K137 L138 L208	G71-C92 PolarHBondContact O-SG 3.4Å; D73-C92 WeakPolarHBondContact OD2-CA 3.37Å; C92-L94 PolarHBondContact O-N 3.03Å; C92-K137 CarbonylContact O-C 3.49Å; C92-K137 WeakPolarHBondContact O-CA 3.49Å; C92-L138 HydrophobicContact CB-CB 4.28Å; C92-L138 PolarHBondContact N-O 3.07Å; C92-L138 PolarHBondContact O-N 3.4Å; C92-L208 HydrophobicContact CB-CD2 4.24Å; C92-L208 WeakPolarHBondContact SG-CD2 3.4Å
93	I	89.9	Confident	88	Confident	87 Å²	87	64.7 Å²	64.7	45%	0.446	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.9	177.5	-64.9	172.4	0	0	0	108.5	D73 P135	D73-I93 HydrophobicContact CB-CB 4.47Å; D73-I93 HydrophobicContact CB-CD1 3.96Å; D73-I93 HydrophobicContact CB-CG1 3.9Å; D73-I93 PolarHBondContact OD2-N 3.07Å; I93-P135 HydrophobicContact CG2-CB 4.2Å
94	L	87.5	Confident	87.9	Confident	19 Å²	19	69.9 Å²	69.9	10%	0.099	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-102.1	145.7	179.4	-61.4	178.7	0	0	0	110.2	C92 E102 V128 R136 L138	C92-L94 PolarHBondContact O-N 3.03Å; L94-E102 HydrophobicContact CD1-CB 4.06Å; L94-E102 HydrophobicContact CD1-CG 4.49Å; L94-E102 HydrophobicContact CD2-CB 3.97Å; L94-V128 HydrophobicContact CD1-CG1 3.81Å; L94-V128 HydrophobicContact CD1-CG2 4.03Å; L94-R136 HydrophobicContact CB-CB 4.11Å; L94-R136 PolarHBondContact N-O 3.17Å; L94-L138 HydrophobicContact CD1-CB 4.15Å; L94-L138 HydrophobicContact CD2-CB 4.16Å; L94-L138 HydrophobicContact CG-CB 4.25Å
95	P	85.2	Confident	87.7	Confident	71 Å²	71	68.2 Å²	68.2	46%	0.461	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-60	149	168.6	27.4	-34.8	0	0	0	111	K97 T99	P95-K97 PolarHBondContact O-N 2.85Å; P95-T99 HydrophobicContact CG-CG2 3.89Å
96	E	78	Confident	87.6	Confident	167 Å²	167	63.1 Å²	63.1	78%	0.78	30%	0.301	S	S	*	.	S	Bend	trans	-53.4	-39.7	178.1	-57.4	176.7	157.7	0	0	112.6	K98 R136	E96-K98 PolarHBondContact O-N 3.03Å; E96-R136 PolarHBondContact O-NH1 2.89Å
97	K	81.3	Confident	87.4	Confident	174 Å²	174	63.7 Å²	63.7	76%	0.757	31%	0.312	S	S	*	.	S	Bend	trans	-77.7	116.9	175.6	-66.8	176.2	-176.4	170.8	0	108.5	P95 T99	P95-K97 PolarHBondContact O-N 2.85Å; K97-T99 PolarHBondContact O-N 2.99Å
98	K	77.5	Confident	87.1	Confident	142 Å²	142	64.2 Å²	64.2	62%	0.617	32%	0.315	S	S	*	.			trans	-50.6	138.8	173.6	-71.1	-161.8	174.3	-170.7	0	111	E96 E102	E96-K98 PolarHBondContact O-N 3.03Å; K98-E102 VanDerWaalsContact CA-OE2 3.29Å; K98-E102 WeakPolarHBondContact CA-OE2 3.12Å; K98-E102 WeakPolarHBondContact CB-OE1 3.33Å; K98-E102 VanDerWaalsContact CG-OE1 3.28Å; K98-E102 WeakPolarHBondContact CG-OE1 3Å
99	T	77.5	Confident	86.9	Confident	50 Å²	50	64 Å²	64	31%	0.307	31%	0.314	S	S	.	.			trans	-120.8	148.7	175.7	62.7	0	0	0	0	111.3	P95 K97 K101 E102 N103	P95-T99 HydrophobicContact CG-CG2 3.89Å; K97-T99 PolarHBondContact O-N 2.99Å; T99-K101 PolarHBondContact O-N 2.78Å; T99-E102 PolarHBondContact N-OE2 3.1Å; T99-E102 VanDerWaalsContact O-CG 3.28Å; T99-E102 WeakPolarHBondContact O-CG 3.36Å; T99-E102 PolarHBondContact O-N 2.85Å; T99-E102 PolarHBondContact OG1-N 3.34Å; T99-E102 PolarHBondContact OG1-OE2 3.43Å; T99-N103 PolarHBondContact O-ND2 3.33Å
100	D	81.3	Confident	86.6	Confident	122 Å²	122	69.1 Å²	69.1	65%	0.652	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-27.1	170.6	-62.1	-25.8	0	0	0	111.6	N103 R104	D100-N103 PolarHBondContact O-N 3.49Å; D100-R104 VanDerWaalsContact O-CG 3.3Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.46Å
101	K	81	Confident	86.4	Confident	109 Å²	109	73.8 Å²	73.8	47%	0.474	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-44.4	177	-168.9	170.4	176.4	175.9	0	111.9	T99 N103 R104 Y105	T99-K101 PolarHBondContact O-N 2.78Å; K101-N103 VanDerWaalsContact C-N 3.31Å; K101-N103 PolarHBondContact O-N 2.99Å; K101-R104 PolarHBondContact O-N 2.99Å; K101-Y105 HydrophobicContact CD-CE2 4.23Å; K101-Y105 VanDerWaalsContact CE-CZ 3.49Å; K101-Y105 WeakPolarHBondContact CE-OH 3.49Å; K101-Y105 HydrophobicContact CG-CD2 4.24Å; K101-Y105 HydrophobicContact CG-CE2 3.6Å; K101-Y105 VanDerWaalsContact O-CD2 3.27Å; K101-Y105 WeakPolarHBondContact O-CD2 3.26Å; K101-Y105 PolarHBondContact O-N 3.37Å
102	E	83.3	Confident	86.2	Confident	10 Å²	10	73.5 Å²	73.5	5%	0.047	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-37.9	176.9	90.4	-150.6	-168.3	0	0	112.2	L94 K98 T99 Y105 L106	L94-E102 HydrophobicContact CD1-CB 4.06Å; L94-E102 HydrophobicContact CD1-CG 4.49Å; L94-E102 HydrophobicContact CD2-CB 3.97Å; K98-E102 VanDerWaalsContact CA-OE2 3.29Å; K98-E102 WeakPolarHBondContact CA-OE2 3.12Å; K98-E102 WeakPolarHBondContact CB-OE1 3.33Å; K98-E102 VanDerWaalsContact CG-OE1 3.28Å; K98-E102 WeakPolarHBondContact CG-OE1 3Å; T99-E102 PolarHBondContact N-OE2 3.1Å; T99-E102 VanDerWaalsContact O-CG 3.28Å; T99-E102 WeakPolarHBondContact O-CG 3.36Å; T99-E102 PolarHBondContact O-N 2.85Å; T99-E102 PolarHBondContact OG1-N 3.34Å; T99-E102 PolarHBondContact OG1-OE2 3.43Å; E102-Y105 PolarHBondContact O-N 3.41Å; E102-L106 WeakPolarHBondContact O-CB 3.11Å; E102-L106 PolarHBondContact O-N 3.27Å
103	N	86.3	Confident	86.2	Confident	76 Å²	76	77 Å²	77	41%	0.406	37%	0.37	S	S	.	.	H	α-helix	trans	-75.7	-35.2	-177	-67.6	-75.5	0	0	0	110.7	T99 D100 K101 S107	T99-N103 PolarHBondContact O-ND2 3.33Å; D100-N103 PolarHBondContact O-N 3.49Å; K101-N103 VanDerWaalsContact C-N 3.31Å; K101-N103 PolarHBondContact O-N 2.99Å; N103-S107 VanDerWaalsContact O-CB 3.22Å; N103-S107 WeakPolarHBondContact O-CB 3.47Å; N103-S107 PolarHBondContact O-N 2.93Å
104	R	87.5	Confident	86.2	Confident	159 Å²	159	80.8 Å²	80.8	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-62.3	-46.1	169.3	-70	172.7	-166.3	-159.9	4.8	111.4	D100 K101 S107 L108 L212	D100-R104 VanDerWaalsContact O-CG 3.3Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.46Å; K101-R104 PolarHBondContact O-N 2.99Å; R104-S107 PolarHBondContact O-N 3.17Å; R104-L108 VanDerWaalsContact O-CB 3.28Å; R104-L108 WeakPolarHBondContact O-CB 3.38Å; R104-L108 PolarHBondContact O-N 2.93Å; R104-L212 HydrophobicContact CB-CD1 3.72Å
105	Y	88.1	Confident	85.9	Confident	16 Å²	16	81.2 Å²	81.2	6%	0.063	39%	0.385	C	S	.	.	H	α-helix	trans	-61.6	-48.5	176.2	-66.3	-39.5	0	0	0	112.8	K101 E102 S107 L108 I109 L208 L212	K101-Y105 HydrophobicContact CD-CE2 4.23Å; K101-Y105 VanDerWaalsContact CE-CZ 3.49Å; K101-Y105 WeakPolarHBondContact CE-OH 3.49Å; K101-Y105 HydrophobicContact CG-CD2 4.24Å; K101-Y105 HydrophobicContact CG-CE2 3.6Å; K101-Y105 VanDerWaalsContact O-CD2 3.27Å; K101-Y105 WeakPolarHBondContact O-CD2 3.26Å; K101-Y105 PolarHBondContact O-N 3.37Å; E102-Y105 PolarHBondContact O-N 3.41Å; Y105-S107 VanDerWaalsContact C-N 3.32Å; Y105-S107 PolarHBondContact O-N 2.64Å; Y105-L108 PolarHBondContact O-N 3.1Å; Y105-I109 WeakPolarHBondContact O-CG1 3.26Å; Y105-I109 PolarHBondContact O-N 2.98Å; Y105-L208 HydrophobicContact CD1-CD1 3.36Å; Y105-L208 HydrophobicContact CD1-CG 4Å; Y105-L208 HydrophobicContact CD2-CD1 4.15Å; Y105-L208 HydrophobicContact CD2-CD2 4.21Å; Y105-L208 HydrophobicContact CD2-CG 4.13Å; Y105-L208 HydrophobicContact CE1-CD1 3.56Å; Y105-L208 HydrophobicContact CE1-CG 3.77Å; Y105-L208 WeakPolarHBondContact CE1-O 3.07Å; Y105-L208 HydrophobicContact CE2-CD1 4.32Å; Y105-L208 HydrophobicContact CE2-CD2 4.21Å; Y105-L208 HydrophobicContact CE2-CG 3.91Å; Y105-L208 HydrophobicContact CG-CD1 3.68Å; Y105-L208 HydrophobicContact CG-CD2 4.5Å; Y105-L208 HydrophobicContact CG-CG 4.17Å; Y105-L208 PolarHBondContact OH-O 2.85Å; Y105-L212 HydrophobicContact CD1-CD1 3.73Å; Y105-L212 HydrophobicContact CD1-CG 4.26Å; Y105-L212 HydrophobicContact CE1-CD1 3.61Å; Y105-L212 HydrophobicContact CE1-CG 3.97Å
106	L	90.9	Very high	85.8	Confident	28 Å²	28	81.9 Å²	81.9	15%	0.147	39%	0.392	C	S	.	.	H	α-helix	trans	-61	-41.3	178.5	-177.7	64	0	0	0	112.1	E102 K110 A126 V128 L138	E102-L106 WeakPolarHBondContact O-CB 3.11Å; E102-L106 PolarHBondContact O-N 3.27Å; L106-K110 HydrophobicContact CD1-CD 4.42Å; L106-K110 HydrophobicContact CG-CD 4.36Å; L106-K110 WeakPolarHBondContact O-CB 3.45Å; L106-K110 VanDerWaalsContact O-CG 3.28Å; L106-K110 WeakPolarHBondContact O-CG 3.36Å; L106-K110 PolarHBondContact O-N 2.87Å; L106-K110 VanDerWaalsContact O-N 3.14Å; L106-A126 HydrophobicContact CD1-CB 3.97Å; L106-A126 WeakPolarHBondContact CD1-O 3.36Å; L106-V128 HydrophobicContact CD2-CG2 4.27Å; L106-L138 HydrophobicContact CB-CD1 4.27Å; L106-L138 HydrophobicContact CD1-CD1 4Å
107	S	90.7	Very high	86.2	Confident	80 Å²	80	74.9 Å²	74.9	56%	0.559	36%	0.359	S	S	*	.	H	α-helix	trans	-63.9	-43.6	174.5	-174.4	0	0	0	0	111.7	N103 R104 Y105 K110 K111	N103-S107 VanDerWaalsContact O-CB 3.22Å; N103-S107 WeakPolarHBondContact O-CB 3.47Å; N103-S107 PolarHBondContact O-N 2.93Å; R104-S107 PolarHBondContact O-N 3.17Å; Y105-S107 VanDerWaalsContact C-N 3.32Å; Y105-S107 PolarHBondContact O-N 2.64Å; S107-K110 PolarHBondContact O-N 3.1Å; S107-K111 WeakPolarHBondContact O-CB 3.37Å; S107-K111 PolarHBondContact O-N 3.45Å
108	L	90	Very high	86.4	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-48.1	179.6	-168.3	76.5	0	0	0	112.4	R104 Y105 K110 K111 L112 V183 F206 L212	R104-L108 VanDerWaalsContact O-CB 3.28Å; R104-L108 WeakPolarHBondContact O-CB 3.38Å; R104-L108 PolarHBondContact O-N 2.93Å; Y105-L108 PolarHBondContact O-N 3.1Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.79Å; L108-K111 CarbonylContact O-C 3.5Å; L108-K111 WeakPolarHBondContact O-CA 3.33Å; L108-K111 VanDerWaalsContact O-CB 3.32Å; L108-K111 WeakPolarHBondContact O-CB 3.45Å; L108-K111 PolarHBondContact O-N 3.05Å; L108-L112 HydrophobicContact CG-CD1 4.42Å; L108-L112 PolarHBondContact O-N 3.11Å; L108-V183 HydrophobicContact CD1-CG2 3.31Å; L108-V183 HydrophobicContact CD2-CG1 4.03Å; L108-V183 HydrophobicContact CD2-CG2 3.66Å; L108-V183 HydrophobicContact CG-CG2 3.92Å; L108-F206 HydrophobicContact CD2-CE2 4.43Å; L108-F206 HydrophobicContact CD2-CZ 4.21Å; L108-L212 HydrophobicContact CD2-CD2 4.13Å
109	I	91.8	Very high	87	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-36.6	-179.6	-61.1	163	0	0	0	110.4	Y105 K111 L112 K113 F123 A126 L138 F140 F206	Y105-I109 WeakPolarHBondContact O-CG1 3.26Å; Y105-I109 PolarHBondContact O-N 2.98Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.35Å; I109-L112 PolarHBondContact O-N 2.97Å; I109-K113 WeakPolarHBondContact O-CB 3.38Å; I109-K113 PolarHBondContact O-N 2.85Å; I109-F123 HydrophobicContact CG2-CB 4.29Å; I109-F123 HydrophobicContact CG2-CD1 3.55Å; I109-F123 HydrophobicContact CG2-CE1 4.2Å; I109-F123 HydrophobicContact CG2-CG 4.14Å; I109-A126 HydrophobicContact CB-CB 3.98Å; I109-A126 HydrophobicContact CG2-CB 3.55Å; I109-L138 HydrophobicContact CD1-CD2 4.22Å; I109-F140 HydrophobicContact CD1-CB 4.06Å; I109-F140 HydrophobicContact CD1-CD1 3.89Å; I109-F140 HydrophobicContact CD1-CG 3.96Å; I109-F140 HydrophobicContact CG2-CB 4.09Å; I109-F206 HydrophobicContact CG1-CZ 4.42Å
110	K	91.3	Very high	87.6	Confident	106 Å²	106	59.4 Å²	59.4	46%	0.461	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-35.2	170.6	-74.3	176.7	177.4	-176	0	112.7	L106 S107 L108 K113 K114 A126	L106-K110 HydrophobicContact CD1-CD 4.42Å; L106-K110 HydrophobicContact CG-CD 4.36Å; L106-K110 WeakPolarHBondContact O-CB 3.45Å; L106-K110 VanDerWaalsContact O-CG 3.28Å; L106-K110 WeakPolarHBondContact O-CG 3.36Å; L106-K110 PolarHBondContact O-N 2.87Å; L106-K110 VanDerWaalsContact O-N 3.14Å; S107-K110 PolarHBondContact O-N 3.1Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.79Å; K110-K113 PolarHBondContact O-N 2.96Å; K110-K114 PolarHBondContact O-N 3.05Å; K110-K114 VanDerWaalsContact O-N 3.1Å; K110-A126 WeakPolarHBondContact CE-O 3.49Å
111	K	89.9	Confident	88.2	Confident	102 Å²	102	53.9 Å²	53.9	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-39.2	173.4	-161.3	175.4	-174.4	-176.1	0	111.8	S107 L108 I109 K114 N115 L181	S107-K111 WeakPolarHBondContact O-CB 3.37Å; S107-K111 PolarHBondContact O-N 3.45Å; L108-K111 CarbonylContact O-C 3.5Å; L108-K111 WeakPolarHBondContact O-CA 3.33Å; L108-K111 VanDerWaalsContact O-CB 3.32Å; L108-K111 WeakPolarHBondContact O-CB 3.45Å; L108-K111 PolarHBondContact O-N 3.05Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 3.35Å; K111-K114 PolarHBondContact O-N 2.98Å; K111-N115 WeakPolarHBondContact O-CB 3.29Å; K111-N115 PolarHBondContact O-N 3.19Å; K111-N115 PolarHBondContact O-ND2 2.79Å; K111-L181 HydrophobicContact CD-CD2 4.01Å; K111-L181 HydrophobicContact CG-CD2 4.4Å
112	L	90	Very high	88.8	Confident	5 Å²	5	54 Å²	54	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-72.2	-29.4	174.8	-67.7	169.2	0	0	0	113.1	L108 I109 N115 F123 F177 L178 L181 F206	L108-L112 HydrophobicContact CG-CD1 4.42Å; L108-L112 PolarHBondContact O-N 3.11Å; I109-L112 PolarHBondContact O-N 2.97Å; L112-N115 CarbonylContact O-C 3.58Å; L112-N115 VanDerWaalsContact O-C 3.24Å; L112-N115 PolarHBondContact O-N 3.48Å; L112-F123 HydrophobicContact CB-CD2 3.78Å; L112-F123 HydrophobicContact CB-CE2 4.29Å; L112-F123 HydrophobicContact CB-CG 4.27Å; L112-F123 HydrophobicContact CD1-CD2 4.26Å; L112-F123 HydrophobicContact CD1-CE2 3.93Å; L112-F123 HydrophobicContact CD1-CZ 4.34Å; L112-F177 HydrophobicContact CD2-CE1 3.64Å; L112-F177 HydrophobicContact CD2-CZ 3.9Å; L112-L178 HydrophobicContact CD2-CD2 4.19Å; L112-L181 HydrophobicContact CD2-CD1 3.52Å; L112-L181 HydrophobicContact CG-CD1 4.47Å; L112-F206 HydrophobicContact CD1-CD1 4.45Å; L112-F206 HydrophobicContact CD1-CE1 3.44Å; L112-F206 VanDerWaalsContact CD1-CE1 3.44Å; L112-F206 HydrophobicContact CD1-CZ 3.94Å
113	K	92.2	Very high	89.3	Confident	80 Å²	80	53.8 Å²	53.8	35%	0.348	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-39.1	167.8	169.8	172.7	173.4	157.7	0	112.5	I109 K110 F123 L124 D125	I109-K113 WeakPolarHBondContact O-CB 3.38Å; I109-K113 PolarHBondContact O-N 2.85Å; K110-K113 PolarHBondContact O-N 2.96Å; K113-F123 HydrophobicContact CB-CB 4.46Å; K113-L124 WeakPolarHBondContact CD-O 3.15Å; K113-L124 WeakPolarHBondContact CE-O 3.41Å; K113-L124 PolarHBondContact NZ-O 3.48Å; K113-D125 IonicContact NZ-OD1 2.99Å; K113-D125 PolarHBondContact NZ-OD1 2.87Å; K113-D125 IonicContact NZ-OD2 3.22Å; K113-D125 PolarHBondContact NZ-OD2 3.46Å
114	K	88.5	Confident	89.7	Confident	166 Å²	166	50.7 Å²	50.7	72%	0.722	24%	0.242	S	C	*	.	H	α-helix	trans	-73	-31.3	174.3	-175.6	176.2	178.2	-176.3	0	112.4	K110 K111	K110-K114 PolarHBondContact O-N 3.05Å; K110-K114 VanDerWaalsContact O-N 3.1Å; K111-K114 PolarHBondContact O-N 2.98Å
115	N	81.5	Confident	90	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.144	22%	0.217	C	C	.	.	S	Bend	trans	-124.2	93.6	-174.3	-54.4	-88.5	0	0	0	109.7	K111 L112 F177 Y387	K111-N115 WeakPolarHBondContact O-CB 3.29Å; K111-N115 PolarHBondContact O-N 3.19Å; K111-N115 PolarHBondContact O-ND2 2.79Å; L112-N115 CarbonylContact O-C 3.58Å; L112-N115 VanDerWaalsContact O-C 3.24Å; L112-N115 PolarHBondContact O-N 3.48Å; N115-F177 HydrophobicContact CB-CE2 4.27Å; N115-F177 HydrophobicContact CB-CZ 4.23Å; N115-F177 VanDerWaalsContact O-CZ 3.22Å; N115-F177 WeakPolarHBondContact O-CZ 3.48Å; N115-Y387 PolarHBondContact OD1-OH 2.88Å
116	S	84.1	Confident	90.4	Very high	86 Å²	86	43.1 Å²	43.1	60%	0.601	21%	0.214	S	C	*	.			trans	-86.7	162.2	174.6	56.7	0	0	0	0	112.1
117	H	86.5	Confident	90.5	Very high	19 Å²	19	42.8 Å²	42.8	9%	0.088	21%	0.211	C	C	.	.			trans	-134.6	135	177.1	179.5	-89.7	0	0	0	108.9	F119 L120 S173 F177	H117-F119 AromaticContact CE1-CD2 3.92Å; H117-F119 PolarHBondContact ND1-N 3.28Å; H117-F119 PolarHBondContact O-N 2.88Å; H117-F119 VanDerWaalsContact O-N 3.15Å; H117-L120 HydrophobicContact CB-CB 4.08Å; H117-L120 PolarHBondContact O-N 3.44Å; H117-L120 VanDerWaalsContact O-N 3.13Å; H117-S173 PolarHBondContact CE1-OG 2.87Å; H117-F177 HydrophobicContact CB-CD1 3.87Å; H117-F177 HydrophobicContact CB-CD2 4.48Å; H117-F177 HydrophobicContact CB-CE1 4.05Å; H117-F177 HydrophobicContact CB-CG 4.11Å; H117-F177 HydrophobicContact CB-CZ 4.44Å
118	P	83.9	Confident	90.6	Very high	32 Å²	32	41.1 Å²	41.1	21%	0.208	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.5	-167.1	24.1	-36.2	0	0	0	114.5	F376	P118-F376 HydrophobicContact CB-CE1 4.48Å; P118-F376 HydrophobicContact CB-CZ 4.41Å
119	F	90.3	Very high	90.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	19.4	-178.3	-50.7	-57.4	0	0	0	113.3	H117 Q170 V174 N200 L201 V203 F376	H117-F119 AromaticContact CE1-CD2 3.92Å; H117-F119 PolarHBondContact ND1-N 3.28Å; H117-F119 PolarHBondContact O-N 2.88Å; H117-F119 VanDerWaalsContact O-N 3.15Å; F119-Q170 HydrophobicContact CD1-CG 4.12Å; F119-Q170 HydrophobicContact CD2-CB 4.14Å; F119-Q170 HydrophobicContact CD2-CG 3.84Å; F119-Q170 HydrophobicContact CE1-CG 4.06Å; F119-Q170 HydrophobicContact CE2-CG 3.79Å; F119-Q170 HydrophobicContact CG-CB 4.17Å; F119-Q170 HydrophobicContact CG-CG 4.02Å; F119-Q170 HydrophobicContact CZ-CG 3.9Å; F119-V174 HydrophobicContact CB-CG2 3.87Å; F119-V174 VanDerWaalsContact O-CG2 3.26Å; F119-V174 WeakPolarHBondContact O-CG2 3.45Å; F119-N200 HydrophobicContact CD1-CB 4.43Å; F119-N200 HydrophobicContact CE1-CB 4.13Å; F119-L201 WeakPolarHBondContact CB-O 3.16Å; F119-L201 WeakPolarHBondContact CD1-O 3.44Å; F119-V203 PolarHBondContact O-N 3.47Å; F119-F376 HydrophobicContact CE1-CD1 4.45Å
120	L	91.6	Very high	90.1	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.037	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-127.8	145.5	177.1	178.2	67.1	0	0	0	109.7	H117 R122 V174 F177 L178 V203	H117-L120 HydrophobicContact CB-CB 4.08Å; H117-L120 PolarHBondContact O-N 3.44Å; H117-L120 VanDerWaalsContact O-N 3.13Å; L120-R122 PolarHBondContact O-N 2.95Å; L120-V174 HydrophobicContact CB-CG1 4.24Å; L120-V174 HydrophobicContact CB-CG2 4.45Å; L120-V174 HydrophobicContact CD1-CG1 3.91Å; L120-V174 HydrophobicContact CG-CG1 4.47Å; L120-F177 HydrophobicContact CD2-CD1 4.05Å; L120-F177 HydrophobicContact CD2-CE1 3.83Å; L120-L178 HydrophobicContact CD2-CD2 3.94Å; L120-L178 HydrophobicContact CD2-CG 4.49Å; L120-V203 CarbonylContact C-O 3.08Å; L120-V203 WeakPolarHBondContact CA-O 3.46Å; L120-V203 HydrophobicContact CD1-CB 4.16Å; L120-V203 HydrophobicContact CD1-CG1 4.15Å
121	V	93.1	Very high	89.1	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.036	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-55.1	130.6	174.9	70.4	0	0	0	0	111.7	F123 T142 E143 L145 V203 G204 L205	V121-F123 HydrophobicContact CG1-CE2 4.28Å; V121-F123 HydrophobicContact CG1-CZ 4.47Å; V121-T142 HydrophobicContact CG1-CG2 4.35Å; V121-T142 HydrophobicContact CG2-CG2 4.07Å; V121-E143 HydrophobicContact CG2-CG 4.02Å; V121-L145 HydrophobicContact CB-CD1 4.18Å; V121-L145 HydrophobicContact CG2-CD1 4.02Å; V121-L145 HydrophobicContact CG2-CG 4.24Å; V121-V203 PolarHBondContact N-O 3.26Å; V121-G204 VanDerWaalsContact CG1-C 3.46Å; V121-G204 WeakPolarHBondContact CG1-O 3.39Å; V121-L205 HydrophobicContact CG1-CD2 4.02Å; V121-L205 HydrophobicContact CG1-CG 4.15Å
122	R	92.6	Very high	88.2	Confident	111 Å²	111	50.8 Å²	50.8	42%	0.419	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-83.1	123.5	-176.3	-170.9	173.5	47.1	101	10.9	111.9	L120 L124 T142 E143	L120-R122 PolarHBondContact O-N 2.95Å; R122-L124 HydrophobicContact CB-CD2 4.5Å; R122-L124 HydrophobicContact CG-CD2 4.04Å; R122-L124 VanDerWaalsContact NH1-CD2 3.29Å; R122-T142 WeakPolarHBondContact O-CA 3.42Å; R122-E143 HydrophobicContact CB-CG 4.04Å; R122-E143 VanDerWaalsContact CB-OE1 3.26Å; R122-E143 WeakPolarHBondContact CB-OE1 3.39Å; R122-E143 WeakPolarHBondContact CB-OE2 3.48Å; R122-E143 IonicContact CZ-OE2 3.09Å; R122-E143 PolarHBondContact N-OE1 3.18Å; R122-E143 IonicContact NE-OE2 2.79Å; R122-E143 PolarHBondContact NE-OE2 2.99Å; R122-E143 IonicContact NH2-OE2 3.33Å; R122-E143 PolarHBondContact NH2-OE2 3.33Å; R122-E143 PolarHBondContact O-N 3.07Å; R122-E143 VanDerWaalsContact O-N 3.12Å
123	F	94	Very high	87.4	Confident	7 Å²	7	60.1 Å²	60.1	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.2	172.8	-66.7	-91.6	0	0	0	111.1	I109 L112 K113 V121 F140 T142 L205 F206	I109-F123 HydrophobicContact CG2-CB 4.29Å; I109-F123 HydrophobicContact CG2-CD1 3.55Å; I109-F123 HydrophobicContact CG2-CE1 4.2Å; I109-F123 HydrophobicContact CG2-CG 4.14Å; L112-F123 HydrophobicContact CB-CD2 3.78Å; L112-F123 HydrophobicContact CB-CE2 4.29Å; L112-F123 HydrophobicContact CB-CG 4.27Å; L112-F123 HydrophobicContact CD1-CD2 4.26Å; L112-F123 HydrophobicContact CD1-CE2 3.93Å; L112-F123 HydrophobicContact CD1-CZ 4.34Å; K113-F123 HydrophobicContact CB-CB 4.46Å; V121-F123 HydrophobicContact CG1-CE2 4.28Å; V121-F123 HydrophobicContact CG1-CZ 4.47Å; F123-F140 HydrophobicContact CD1-CD2 4.24Å; F123-F140 AromaticContact CE1-CD2 4Å; F123-F140 HydrophobicContact CE1-CD2 4Å; F123-F140 HydrophobicContact CE1-CE2 4.2Å; F123-T142 HydrophobicContact CD1-CG2 3.72Å; F123-T142 HydrophobicContact CE1-CG2 3.84Å; F123-T142 HydrophobicContact CG-CG2 4.22Å; F123-T142 HydrophobicContact CZ-CG2 4.39Å; F123-L205 HydrophobicContact CE1-CD2 3.45Å; F123-L205 VanDerWaalsContact CE1-CD2 3.45Å; F123-L205 HydrophobicContact CE2-CD2 4.45Å; F123-L205 HydrophobicContact CZ-CD2 3.38Å; F123-F206 HydrophobicContact CE1-CE1 4.2Å; F123-F206 AromaticContact CE2-CE1 3.94Å; F123-F206 HydrophobicContact CE2-CE1 3.94Å; F123-F206 HydrophobicContact CZ-CD1 4.04Å; F123-F206 AromaticContact CZ-CE1 3.37Å; F123-F206 HydrophobicContact CZ-CE1 3.37Å; F123-F206 HydrophobicContact CZ-CZ 4.11Å
124	L	94.7	Very high	86.7	Confident	11 Å²	11	57.8 Å²	57.8	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-38.1	-171.6	-51.5	-172.6	0	0	0	112.8	F58 V87 K113 R122 I141	F58-L124 HydrophobicContact CE1-CB 4.48Å; F58-L124 HydrophobicContact CE1-CD1 4.22Å; F58-L124 HydrophobicContact CZ-CB 3.89Å; F58-L124 HydrophobicContact CZ-CD1 4.43Å; V87-L124 HydrophobicContact CB-CD1 4.06Å; V87-L124 HydrophobicContact CG1-CD1 3.47Å; V87-L124 VanDerWaalsContact CG1-CD1 3.47Å; K113-L124 WeakPolarHBondContact CD-O 3.15Å; K113-L124 WeakPolarHBondContact CE-O 3.41Å; K113-L124 PolarHBondContact NZ-O 3.48Å; R122-L124 HydrophobicContact CB-CD2 4.5Å; R122-L124 HydrophobicContact CG-CD2 4.04Å; R122-L124 VanDerWaalsContact NH1-CD2 3.29Å; L124-I141 HydrophobicContact CB-CB 4.19Å; L124-I141 HydrophobicContact CB-CG2 4.07Å; L124-I141 HydrophobicContact CD1-CG2 4.13Å; L124-I141 HydrophobicContact CG-CG2 4.46Å; L124-I141 PolarHBondContact N-O 3.17Å
125	D	95.3	Very high	86.5	Confident	14 Å²	14	53.9 Å²	53.9	8%	0.075	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	165.2	170.6	-125.4	-33.5	0	0	0	113.6	N55 F58 K113 W127 F140 I141	N55-D125 PolarHBondContact ND2-OD2 3.17Å; F58-D125 HydrophobicContact CE2-CB 3.98Å; K113-D125 IonicContact NZ-OD1 2.99Å; K113-D125 PolarHBondContact NZ-OD1 2.87Å; K113-D125 IonicContact NZ-OD2 3.22Å; K113-D125 PolarHBondContact NZ-OD2 3.46Å; D125-W127 HydrophobicContact CB-CE3 4.35Å; D125-W127 HydrophobicContact CB-CZ3 4.11Å; D125-F140 CarbonylContact O-C 3.52Å; D125-F140 VanDerWaalsContact O-CA 3.32Å; D125-F140 WeakPolarHBondContact O-CA 3.35Å; D125-I141 HydrophobicContact CB-CG1 4.39Å; D125-I141 PolarHBondContact O-N 3.35Å
126	A	94.7	Very high	86.9	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	136.5	169.5	0	0	0	0	0	113.6	L106 I109 K110 V139 F140	L106-A126 HydrophobicContact CD1-CB 3.97Å; L106-A126 WeakPolarHBondContact CD1-O 3.36Å; I109-A126 HydrophobicContact CB-CB 3.98Å; I109-A126 HydrophobicContact CG2-CB 3.55Å; K110-A126 WeakPolarHBondContact CE-O 3.49Å; A126-V139 VanDerWaalsContact CA-O 3.28Å; A126-V139 WeakPolarHBondContact CA-O 3.41Å; A126-F140 HydrophobicContact CB-CB 3.86Å
127	W	94.3	Very high	87.2	Confident	22 Å²	22	53.3 Å²	53.3	8%	0.083	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	167.3	177.9	67.3	98.8	0	0	0	111.4	H54 W89 D125 V139 I141	H54-W127 AromaticContact CD2-CD2 3.54Å; H54-W127 AromaticContact CD2-CE3 3.62Å; H54-W127 AromaticContact CD2-CG 3.6Å; W89-W127 HydrophobicContact CE3-CH2 4.28Å; W89-W127 AromaticContact CH2-CH2 3.83Å; W89-W127 HydrophobicContact CH2-CH2 3.83Å; W89-W127 AromaticContact CH2-CZ2 3.51Å; W89-W127 HydrophobicContact CH2-CZ2 3.51Å; W89-W127 HydrophobicContact CZ2-CH2 4.24Å; W89-W127 AromaticContact CZ2-CZ2 3.73Å; W89-W127 HydrophobicContact CZ2-CZ2 3.73Å; W89-W127 AromaticContact CZ3-CH2 3.83Å; W89-W127 HydrophobicContact CZ3-CH2 3.83Å; W89-W127 HydrophobicContact CZ3-CZ2 4.02Å; D125-W127 HydrophobicContact CB-CE3 4.35Å; D125-W127 HydrophobicContact CB-CZ3 4.11Å; W127-V139 HydrophobicContact CD2-CB 4.06Å; W127-V139 HydrophobicContact CD2-CG1 4.38Å; W127-V139 HydrophobicContact CE3-CG1 4.49Å; W127-V139 HydrophobicContact CH2-CB 4.33Å; W127-V139 HydrophobicContact CH2-CG1 3.61Å; W127-V139 HydrophobicContact CZ2-CB 3.85Å; W127-V139 HydrophobicContact CZ2-CG1 3.46Å; W127-V139 VanDerWaalsContact CZ2-CG1 3.46Å; W127-V139 HydrophobicContact CZ2-CG2 4.38Å; W127-V139 HydrophobicContact CZ3-CG1 4.15Å; W127-V139 PolarHBondContact N-O 2.86Å; W127-V139 PolarHBondContact O-N 3.1Å; W127-V139 VanDerWaalsContact O-O 3.09Å; W127-I141 HydrophobicContact CH2-CD1 3.87Å; W127-I141 HydrophobicContact CH2-CG1 3.95Å; W127-I141 HydrophobicContact CZ3-CD1 4.13Å; W127-I141 HydrophobicContact CZ3-CG1 3.72Å
128	V	91.9	Very high	87.5	Confident	44 Å²	44	52.4 Å²	52.4	27%	0.267	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.1	168.7	172.4	0	0	0	0	108	L94 L106 K137 L138	L94-V128 HydrophobicContact CD1-CG1 3.81Å; L94-V128 HydrophobicContact CD1-CG2 4.03Å; L106-V128 HydrophobicContact CD2-CG2 4.27Å; V128-K137 CarbonylContact C-O 3.58Å; V128-K137 WeakPolarHBondContact CA-O 3.5Å; V128-L138 HydrophobicContact CG2-CD1 4Å
129	S	89.4	Confident	88	Confident	21 Å²	21	50.9 Å²	50.9	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	147.2	174.3	-163.3	0	0	0	0	110.9	K137	S129-K137 PolarHBondContact N-O 3.22Å; S129-K137 PolarHBondContact O-N 2.71Å
130	K	82.4	Confident	88.2	Confident	132 Å²	132	51.2 Å²	51.2	57%	0.574	25%	0.254	S	S	*	.			trans	-138.4	90.8	170.2	-54.1	-177.6	-148.2	144.2	0	106.9	R136	K130-R136 HydrophobicContact CG-CG 4.23Å
131	T	71.1	Confident	88.4	Confident	69 Å²	69	50.9 Å²	50.9	42%	0.423	25%	0.253	S	S	.	.			trans	-67.4	148.3	163	40.3	0	0	0	0	108.6	E133 G134	T131-E133 VanDerWaalsContact C-N 3.26Å; T131-E133 PolarHBondContact O-N 3.15Å; T131-G134 VanDerWaalsContact OG1-CA 3.3Å; T131-G134 WeakPolarHBondContact OG1-CA 3.24Å; T131-G134 PolarHBondContact OG1-N 3.03Å
132	E	70	Confident	88.6	Confident	204 Å²	204	50.7 Å²	50.7	95%	0.953	25%	0.252	S	S	*	.	S	Bend	trans	-72	-26.2	-177.9	-57.2	-162.8	147.2	0	0	112
133	E	74.2	Confident	88.6	Confident	202 Å²	202	46.4 Å²	46.4	94%	0.944	24%	0.236	S	C	*	.	S	Bend	trans	-105.1	-7.4	-177.2	-55.6	-177.5	144.4	0	0	113.7	T131	T131-E133 VanDerWaalsContact C-N 3.26Å; T131-E133 PolarHBondContact O-N 3.15Å
134	G	76.2	Confident	88.5	Confident	30 Å²	30	49.9 Å²	49.9	31%	0.309	25%	0.249	S	C	.	.	S	Bend	trans	-122.5	166.7	-169.5	0	0	0	0	0	114.9	T131	T131-G134 VanDerWaalsContact OG1-CA 3.3Å; T131-G134 WeakPolarHBondContact OG1-CA 3.24Å; T131-G134 PolarHBondContact OG1-N 3.03Å
135	P	84.6	Confident	88.3	Confident	84 Å²	84	50.4 Å²	50.4	55%	0.545	25%	0.252	S	S	.	.			trans	-64.6	147.4	177.9	28.6	-35.1	0	0	0	111	I93 K137	I93-P135 HydrophobicContact CG2-CB 4.2Å; P135-K137 PolarHBondContact O-N 3.4Å
136	R	89.8	Confident	87.3	Confident	81 Å²	81	55.1 Å²	55.1	31%	0.306	28%	0.277	S	S	.	.			trans	-62.3	138.3	171.4	-68	-167.6	176.4	161.8	9.8	109.6	L94 E96 K130	L94-R136 HydrophobicContact CB-CB 4.11Å; L94-R136 PolarHBondContact N-O 3.17Å; E96-R136 PolarHBondContact O-NH1 2.89Å; K130-R136 HydrophobicContact CG-CG 4.23Å
137	K	91.7	Very high	86.4	Confident	21 Å²	21	57.2 Å²	57.2	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.7	178.5	57.3	-178.1	-177.4	179.4	0	112.3	E51 E91 C92 V128 S129 P135 V139	E51-K137 VanDerWaalsContact CD-NZ 3.27Å; E51-K137 VanDerWaalsContact OE1-CE 3.31Å; E51-K137 WeakPolarHBondContact OE1-CE 3.5Å; E51-K137 IonicContact OE1-NZ 3.18Å; E51-K137 PolarHBondContact OE1-NZ 3.34Å; E51-K137 VanDerWaalsContact OE1-NZ 3.08Å; E51-K137 IonicContact OE2-NZ 3.67Å; E51-K137 PolarHBondContact OE2-NZ 2.98Å; E91-K137 HydrophobicContact CB-CD 4.38Å; E91-K137 HydrophobicContact CG-CD 4.33Å; E91-K137 IonicContact OE1-NZ 2.77Å; E91-K137 PolarHBondContact OE1-NZ 3.48Å; E91-K137 IonicContact OE2-NZ 2.72Å; C92-K137 CarbonylContact O-C 3.49Å; C92-K137 WeakPolarHBondContact O-CA 3.49Å; V128-K137 CarbonylContact C-O 3.58Å; V128-K137 WeakPolarHBondContact CA-O 3.5Å; S129-K137 PolarHBondContact N-O 3.22Å; S129-K137 PolarHBondContact O-N 2.71Å; P135-K137 PolarHBondContact O-N 3.4Å; K137-V139 HydrophobicContact CD-CG2 4.04Å; K137-V139 HydrophobicContact CG-CG2 3.93Å
138	L	92.3	Very high	85.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.8	160.1	174.1	67.9	0	0	0	106.4	E91 C92 L94 L106 I109 V128 L208	E91-L138 WeakPolarHBondContact CA-O 3.38Å; C92-L138 HydrophobicContact CB-CB 4.28Å; C92-L138 PolarHBondContact N-O 3.07Å; C92-L138 PolarHBondContact O-N 3.4Å; L94-L138 HydrophobicContact CD1-CB 4.15Å; L94-L138 HydrophobicContact CD2-CB 4.16Å; L94-L138 HydrophobicContact CG-CB 4.25Å; L106-L138 HydrophobicContact CB-CD1 4.27Å; L106-L138 HydrophobicContact CD1-CD1 4Å; I109-L138 HydrophobicContact CD1-CD2 4.22Å; V128-L138 HydrophobicContact CG2-CD1 4Å; L138-L208 HydrophobicContact CD2-CD2 4.25Å
139	V	94.3	Very high	85.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.3	173.6	-177.4	0	0	0	0	108.3	W89 N90 A126 W127 K137 I141	W89-V139 HydrophobicContact CD2-CG1 4Å; W89-V139 HydrophobicContact CG-CG1 4.32Å; W89-V139 HydrophobicContact CZ2-CG1 3.9Å; N90-V139 WeakPolarHBondContact O-CA 3.45Å; A126-V139 VanDerWaalsContact CA-O 3.28Å; A126-V139 WeakPolarHBondContact CA-O 3.41Å; W127-V139 HydrophobicContact CD2-CB 4.06Å; W127-V139 HydrophobicContact CD2-CG1 4.38Å; W127-V139 HydrophobicContact CE3-CG1 4.49Å; W127-V139 HydrophobicContact CH2-CB 4.33Å; W127-V139 HydrophobicContact CH2-CG1 3.61Å; W127-V139 HydrophobicContact CZ2-CB 3.85Å; W127-V139 HydrophobicContact CZ2-CG1 3.46Å; W127-V139 VanDerWaalsContact CZ2-CG1 3.46Å; W127-V139 HydrophobicContact CZ2-CG2 4.38Å; W127-V139 HydrophobicContact CZ3-CG1 4.15Å; W127-V139 PolarHBondContact N-O 2.86Å; W127-V139 PolarHBondContact O-N 3.1Å; W127-V139 VanDerWaalsContact O-O 3.09Å; K137-V139 HydrophobicContact CD-CG2 4.04Å; K137-V139 HydrophobicContact CG-CG2 3.93Å; V139-I141 HydrophobicContact CG1-CD1 4.1Å
140	F	94.9	Very high	85.9	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.7	169.4	63.8	-88.8	0	0	0	112.1	V72 N90 I109 F123 D125 A126 L205	V72-F140 HydrophobicContact CG2-CE1 4.33Å; V72-F140 HydrophobicContact CG2-CZ 3.87Å; N90-F140 HydrophobicContact CB-CD1 4.1Å; N90-F140 HydrophobicContact CB-CD2 3.85Å; N90-F140 HydrophobicContact CB-CE1 3.75Å; N90-F140 HydrophobicContact CB-CE2 3.46Å; N90-F140 VanDerWaalsContact CB-CE2 3.46Å; N90-F140 HydrophobicContact CB-CG 4.15Å; N90-F140 HydrophobicContact CB-CZ 3.42Å; N90-F140 VanDerWaalsContact CB-CZ 3.42Å; N90-F140 WeakPolarHBondContact CB-O 3.48Å; N90-F140 VanDerWaalsContact CG-CE2 3.5Å; N90-F140 PolarHBondContact N-O 3.39Å; N90-F140 PolarHBondContact ND2-O 3.14Å; N90-F140 PolarHBondContact O-N 3.4Å; I109-F140 HydrophobicContact CD1-CB 4.06Å; I109-F140 HydrophobicContact CD1-CD1 3.89Å; I109-F140 HydrophobicContact CD1-CG 3.96Å; I109-F140 HydrophobicContact CG2-CB 4.09Å; F123-F140 HydrophobicContact CD1-CD2 4.24Å; F123-F140 AromaticContact CE1-CD2 4Å; F123-F140 HydrophobicContact CE1-CD2 4Å; F123-F140 HydrophobicContact CE1-CE2 4.2Å; D125-F140 CarbonylContact O-C 3.52Å; D125-F140 VanDerWaalsContact O-CA 3.32Å; D125-F140 WeakPolarHBondContact O-CA 3.35Å; A126-F140 HydrophobicContact CB-CB 3.86Å; F140-L205 HydrophobicContact CE2-CD1 3.91Å; F140-L205 HydrophobicContact CE2-CD2 3.75Å; F140-L205 HydrophobicContact CZ-CD1 4.46Å
141	I	96.2	Very high	86.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.3	-174.5	-48.5	-56.1	0	0	0	108.8	F58 V87 I88 W89 L124 D125 W127 V139	F58-I141 HydrophobicContact CD1-CG2 4.15Å; F58-I141 HydrophobicContact CD2-CG1 4.02Å; F58-I141 HydrophobicContact CD2-CG2 4.41Å; F58-I141 HydrophobicContact CE1-CG2 4.2Å; F58-I141 HydrophobicContact CE2-CG1 4.42Å; F58-I141 HydrophobicContact CE2-CG2 4.47Å; F58-I141 HydrophobicContact CG-CG1 4.35Å; F58-I141 HydrophobicContact CG-CG2 4.24Å; F58-I141 HydrophobicContact CZ-CG2 4.36Å; V87-I141 HydrophobicContact CB-CG2 3.79Å; V87-I141 HydrophobicContact CG2-CG2 3.52Å; I88-I141 WeakPolarHBondContact O-CA 3.35Å; W89-I141 HydrophobicContact CB-CD1 3.9Å; W89-I141 HydrophobicContact CD2-CD1 3.63Å; W89-I141 HydrophobicContact CE3-CD1 3.47Å; W89-I141 VanDerWaalsContact CE3-CD1 3.47Å; W89-I141 HydrophobicContact CG-CD1 3.83Å; W89-I141 HydrophobicContact CZ3-CD1 4.32Å; L124-I141 HydrophobicContact CB-CB 4.19Å; L124-I141 HydrophobicContact CB-CG2 4.07Å; L124-I141 HydrophobicContact CD1-CG2 4.13Å; L124-I141 HydrophobicContact CG-CG2 4.46Å; L124-I141 PolarHBondContact N-O 3.17Å; D125-I141 HydrophobicContact CB-CG1 4.39Å; D125-I141 PolarHBondContact O-N 3.35Å; W127-I141 HydrophobicContact CH2-CD1 3.87Å; W127-I141 HydrophobicContact CH2-CG1 3.95Å; W127-I141 HydrophobicContact CZ3-CD1 4.13Å; W127-I141 HydrophobicContact CZ3-CG1 3.72Å; V139-I141 HydrophobicContact CG1-CD1 4.1Å
142	T	95.4	Very high	86.8	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	158.8	169.8	43.7	0	0	0	0	110.9	V87 I88 N90 V121 R122 F123 L205	V87-T142 CarbonylContact C-O 3.24Å; V87-T142 WeakPolarHBondContact CA-O 3.18Å; V87-T142 WeakPolarHBondContact CB-O 3.35Å; I88-T142 PolarHBondContact N-O 3.21Å; I88-T142 PolarHBondContact O-N 2.86Å; N90-T142 PolarHBondContact ND2-OG1 3.09Å; V121-T142 HydrophobicContact CG1-CG2 4.35Å; V121-T142 HydrophobicContact CG2-CG2 4.07Å; R122-T142 WeakPolarHBondContact O-CA 3.42Å; F123-T142 HydrophobicContact CD1-CG2 3.72Å; F123-T142 HydrophobicContact CE1-CG2 3.84Å; F123-T142 HydrophobicContact CG-CG2 4.22Å; F123-T142 HydrophobicContact CZ-CG2 4.39Å; T142-L205 HydrophobicContact CG2-CD2 3.72Å; T142-L205 HydrophobicContact CG2-CG 4.33Å
143	E	94.2	Very high	87.7	Confident	21 Å²	21	48.5 Å²	48.5	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	148.2	163.8	65.8	-168	174.8	0	0	111.3	V121 R122 L145 R202	V121-E143 HydrophobicContact CG2-CG 4.02Å; R122-E143 HydrophobicContact CB-CG 4.04Å; R122-E143 VanDerWaalsContact CB-OE1 3.26Å; R122-E143 WeakPolarHBondContact CB-OE1 3.39Å; R122-E143 WeakPolarHBondContact CB-OE2 3.48Å; R122-E143 IonicContact CZ-OE2 3.09Å; R122-E143 PolarHBondContact N-OE1 3.18Å; R122-E143 IonicContact NE-OE2 2.79Å; R122-E143 PolarHBondContact NE-OE2 2.99Å; R122-E143 IonicContact NH2-OE2 3.33Å; R122-E143 PolarHBondContact NH2-OE2 3.33Å; R122-E143 PolarHBondContact O-N 3.07Å; R122-E143 VanDerWaalsContact O-N 3.12Å; E143-L145 HydrophobicContact CG-CD2 4.32Å; E143-R202 VanDerWaalsContact CD-NH1 3.32Å; E143-R202 IonicContact OE1-CZ 2.8Å; E143-R202 IonicContact OE1-NH1 2.81Å; E143-R202 PolarHBondContact OE1-NH1 3.03Å; E143-R202 IonicContact OE1-NH2 3.76Å; E143-R202 IonicContact OE2-NH1 3.77Å
144	R	91.9	Very high	88.2	Confident	79 Å²	79	39.4 Å²	39.4	30%	0.298	20%	0.202	S	C	.	.			trans	-71.1	148.2	168.1	-173.1	168.1	160	148	-0.9	109.4	E86 I88 D146	E86-R144 HydrophobicContact CB-CB 4.44Å; E86-R144 WeakPolarHBondContact OE2-CD 3.48Å; E86-R144 IonicContact OE2-CZ 2.8Å; E86-R144 IonicContact OE2-NE 2.75Å; E86-R144 PolarHBondContact OE2-NE 3.31Å; E86-R144 IonicContact OE2-NH1 3.65Å; E86-R144 PolarHBondContact OE2-NH1 3.26Å; I88-R144 HydrophobicContact CD1-CB 4.19Å; I88-R144 HydrophobicContact CD1-CG 3.99Å; I88-R144 HydrophobicContact CG1-CB 4.26Å; I88-R144 HydrophobicContact CG1-CG 4.43Å; R144-D146 WeakPolarHBondContact CD-OD1 3.45Å; R144-D146 IonicContact CZ-OD1 2.76Å; R144-D146 IonicContact NE-OD1 3.73Å; R144-D146 PolarHBondContact NE-OD1 2.93Å; R144-D146 IonicContact NH2-OD1 3.68Å; R144-D146 PolarHBondContact NH2-OD1 3.34Å
145	L	89.5	Confident	88.4	Confident	22 Å²	22	40.8 Å²	40.8	12%	0.115	21%	0.206	C	C	.	.			trans	-123.1	94	178.3	-65.1	-178.6	0	0	0	108.1	V121 E143 E147 Y194	V121-L145 HydrophobicContact CB-CD1 4.18Å; V121-L145 HydrophobicContact CG2-CD1 4.02Å; V121-L145 HydrophobicContact CG2-CG 4.24Å; E143-L145 HydrophobicContact CG-CD2 4.32Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-Y194 HydrophobicContact CB-CD1 3.83Å; L145-Y194 HydrophobicContact CB-CD2 4.49Å; L145-Y194 HydrophobicContact CB-CE1 3.99Å; L145-Y194 HydrophobicContact CB-CG 4.13Å; L145-Y194 HydrophobicContact CD1-CD1 4.42Å; L145-Y194 HydrophobicContact CD1-CD2 3.6Å; L145-Y194 HydrophobicContact CD1-CE2 3.92Å; L145-Y194 HydrophobicContact CD1-CG 3.92Å
146	D	74.9	Confident	87.9	Confident	113 Å²	113	42.9 Å²	42.9	60%	0.604	21%	0.212	S	C	*	.			trans	-84.7	-2.7	-173.2	-59.2	-74.7	0	0	0	114.5	R144	R144-D146 WeakPolarHBondContact CD-OD1 3.45Å; R144-D146 IonicContact CZ-OD1 2.76Å; R144-D146 IonicContact NE-OD1 3.73Å; R144-D146 PolarHBondContact NE-OD1 2.93Å; R144-D146 IonicContact NH2-OD1 3.68Å; R144-D146 PolarHBondContact NH2-OD1 3.34Å
147	E	76.3	Confident	86.8	Confident	46 Å²	46	40.3 Å²	40.3	22%	0.215	21%	0.207	C	C	.	.	S	Bend	trans	-84.9	159.5	-176.4	-62.4	171.2	120.9	0	0	111	L145 Y194 Q196 N197	L145-E147 VanDerWaalsContact C-N 3.31Å; E147-Y194 WeakPolarHBondContact O-CD1 3.46Å; E147-Q196 WeakPolarHBondContact OE1-CA 3.39Å; E147-Q196 VanDerWaalsContact OE1-CB 3.25Å; E147-Q196 WeakPolarHBondContact OE1-CB 3.29Å; E147-Q196 PolarHBondContact OE1-NE2 2.97Å; E147-Q196 VanDerWaalsContact OE2-CG 3.28Å; E147-Q196 WeakPolarHBondContact OE2-CG 3.43Å; E147-Q196 PolarHBondContact OE2-NE2 3.32Å; E147-N197 PolarHBondContact OE1-N 3.29Å
148	C	83.4	Confident	85.1	Confident	49 Å²	49	42.4 Å²	42.4	33%	0.331	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-65.5	141.4	-177.8	59.6	0	0	0	0	112.1	Q152 Y195	C148-Q152 HydrophobicContact CB-CB 4.1Å; C148-Y195 PolarHBondContact O-N 3.26Å
149	T	90.1	Very high	83.3	Confident	23 Å²	23	47.9 Å²	47.9	14%	0.141	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-60.7	153.3	170.1	59.1	0	0	0	0	110.9	K151 Q152 F153 I193 Y194	T149-K151 PolarHBondContact O-N 3.43Å; T149-Q152 WeakPolarHBondContact O-CB 3.36Å; T149-Q152 PolarHBondContact O-N 2.89Å; T149-Q152 VanDerWaalsContact OG1-CD 3.3Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.49Å; T149-Q152 PolarHBondContact OG1-N 3.02Å; T149-Q152 PolarHBondContact OG1-OE1 2.68Å; T149-F153 PolarHBondContact O-N 3.33Å; T149-I193 CarbonylContact C-O 3.58Å; T149-I193 WeakPolarHBondContact CA-O 3.48Å; T149-Y194 HydrophobicContact CG2-CD1 4.43Å; T149-Y194 HydrophobicContact CG2-CE1 3.99Å
150	L	90.3	Very high	81.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-30.3	176	178.9	63.7	0	0	0	111.1	F153 L154 K190 I193 L201 V227 I231	L150-F153 HydrophobicContact CD1-CD1 4.4Å; L150-L154 HydrophobicContact CD1-CD1 4Å; L150-L154 HydrophobicContact CD1-CD2 4.4Å; L150-L154 HydrophobicContact CD1-CG 3.87Å; L150-L154 HydrophobicContact CD2-CD1 4.47Å; L150-L154 HydrophobicContact CG-CD1 3.83Å; L150-L154 HydrophobicContact CG-CG 4.17Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.27Å; L150-L154 WeakPolarHBondContact O-CG 3.36Å; L150-L154 PolarHBondContact O-N 2.97Å; L150-K190 CarbonylContact C-O 3.58Å; L150-K190 HydrophobicContact CB-CB 4.12Å; L150-K190 WeakPolarHBondContact CB-O 3.4Å; L150-K190 HydrophobicContact CD2-CB 4.08Å; L150-K190 HydrophobicContact CG-CB 4.03Å; L150-K190 PolarHBondContact N-O 3.18Å; L150-I193 HydrophobicContact CB-CB 4.08Å; L150-I193 HydrophobicContact CB-CG2 4.02Å; L150-I193 HydrophobicContact CD2-CB 4.24Å; L150-I193 HydrophobicContact CD2-CD1 4.26Å; L150-I193 HydrophobicContact CD2-CG2 3.99Å; L150-I193 PolarHBondContact N-O 3.46Å; L150-L201 HydrophobicContact CD1-CD2 4.18Å; L150-V227 HydrophobicContact CD2-CG1 4.01Å; L150-I231 HydrophobicContact CD1-CG1 4.49Å; L150-I231 HydrophobicContact CD2-CD1 4.03Å; L150-I231 HydrophobicContact CD2-CG1 4Å
151	K	87.4	Confident	79.8	Confident	95 Å²	95	52.1 Å²	52.1	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-52.8	167.8	-179.4	177.6	177.8	175.6	0	112.4	T149 F153 L154 C155 K190 E191	T149-K151 PolarHBondContact O-N 3.43Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 2.9Å; K151-L154 PolarHBondContact O-N 3.2Å; K151-C155 PolarHBondContact O-N 3.49Å; K151-C155 PolarHBondContact O-SG 2.73Å; K151-C155 VanDerWaalsContact O-SG 3.35Å; K151-K190 HydrophobicContact CB-CB 4.5Å; K151-K190 HydrophobicContact CB-CD 4.12Å; K151-K190 HydrophobicContact CB-CG 4.05Å; K151-K190 HydrophobicContact CG-CD 4.42Å; K151-K190 PolarHBondContact N-O 3.4Å; K151-E191 HydrophobicContact CB-CG 4.48Å; K151-E191 HydrophobicContact CD-CG 3.81Å
152	Q	86.5	Confident	78.3	Confident	104 Å²	104	60.6 Å²	60.6	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-40.8	178.8	-73.6	159.1	-44.2	0	0	111.3	C148 T149 N156	C148-Q152 HydrophobicContact CB-CB 4.1Å; T149-Q152 WeakPolarHBondContact O-CB 3.36Å; T149-Q152 PolarHBondContact O-N 2.89Å; T149-Q152 VanDerWaalsContact OG1-CD 3.3Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.49Å; T149-Q152 PolarHBondContact OG1-N 3.02Å; T149-Q152 PolarHBondContact OG1-OE1 2.68Å; Q152-N156 VanDerWaalsContact O-CG 3.26Å; Q152-N156 PolarHBondContact O-N 3.02Å; Q152-N156 PolarHBondContact O-ND2 3.06Å
153	F	87	Confident	77.4	Confident	37 Å²	37	62 Å²	62	16%	0.162	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-50.7	175	179	-90.1	0	0	0	112.3	T149 L150 K151 C155 N156 S157 N160 Y195	T149-F153 PolarHBondContact O-N 3.33Å; L150-F153 HydrophobicContact CD1-CD1 4.4Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 2.9Å; F153-C155 VanDerWaalsContact C-N 3.28Å; F153-C155 PolarHBondContact O-N 3.36Å; F153-N156 PolarHBondContact O-N 3.21Å; F153-S157 PolarHBondContact O-N 2.89Å; F153-N160 HydrophobicContact CE1-CB 4.11Å; F153-N160 WeakPolarHBondContact CE1-ND2 3.34Å; F153-Y195 HydrophobicContact CB-CD2 4.41Å; F153-Y195 HydrophobicContact CB-CG 4.05Å; F153-Y195 AromaticContact CD1-CD2 3.82Å; F153-Y195 HydrophobicContact CD1-CD2 3.82Å; F153-Y195 HydrophobicContact CD1-CE2 4.05Å; F153-Y195 HydrophobicContact CD1-CG 4.24Å; F153-Y195 AromaticContact CD2-CD1 3.43Å; F153-Y195 HydrophobicContact CD2-CD1 3.43Å; F153-Y195 VanDerWaalsContact CD2-CD1 3.43Å; F153-Y195 AromaticContact CD2-CD2 3.87Å; F153-Y195 HydrophobicContact CD2-CD2 3.87Å; F153-Y195 AromaticContact CD2-CE1 3.61Å; F153-Y195 HydrophobicContact CD2-CE1 3.61Å; F153-Y195 HydrophobicContact CD2-CE2 4.01Å; F153-Y195 AromaticContact CD2-CG 3.58Å; F153-Y195 HydrophobicContact CD2-CG 3.58Å; F153-Y195 AromaticContact CD2-CZ 3.89Å; F153-Y195 HydrophobicContact CE1-CD2 4.06Å; F153-Y195 AromaticContact CE1-CE2 3.79Å; F153-Y195 HydrophobicContact CE1-CE2 3.79Å; F153-Y195 AromaticContact CE2-CD1 3.78Å; F153-Y195 HydrophobicContact CE2-CD1 3.78Å; F153-Y195 HydrophobicContact CE2-CD2 4.1Å; F153-Y195 AromaticContact CE2-CE1 3.41Å; F153-Y195 HydrophobicContact CE2-CE1 3.41Å; F153-Y195 VanDerWaalsContact CE2-CE1 3.41Å; F153-Y195 AromaticContact CE2-CE2 3.74Å; F153-Y195 HydrophobicContact CE2-CE2 3.74Å; F153-Y195 HydrophobicContact CE2-CG 4.12Å; F153-Y195 AromaticContact CE2-CZ 3.38Å; F153-Y195 HydrophobicContact CG-CD1 4.02Å; F153-Y195 AromaticContact CG-CD2 3.73Å; F153-Y195 HydrophobicContact CG-CD2 3.73Å; F153-Y195 HydrophobicContact CG-CE1 4.44Å; F153-Y195 HydrophobicContact CG-CE2 4.16Å; F153-Y195 AromaticContact CG-CG 3.65Å; F153-Y195 HydrophobicContact CG-CG 3.65Å; F153-Y195 HydrophobicContact CZ-CD2 4.19Å; F153-Y195 HydrophobicContact CZ-CE1 4.12Å; F153-Y195 AromaticContact CZ-CE2 3.62Å; F153-Y195 HydrophobicContact CZ-CE2 3.62Å; F153-Y195 AromaticContact CZ-CZ 3.58Å
154	L	85.5	Confident	77	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-67.4	-25.8	-177.6	-70.7	173.7	0	0	0	113	L150 K151 N156 E230 I231 W234	L150-L154 HydrophobicContact CD1-CD1 4Å; L150-L154 HydrophobicContact CD1-CD2 4.4Å; L150-L154 HydrophobicContact CD1-CG 3.87Å; L150-L154 HydrophobicContact CD2-CD1 4.47Å; L150-L154 HydrophobicContact CG-CD1 3.83Å; L150-L154 HydrophobicContact CG-CG 4.17Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.27Å; L150-L154 WeakPolarHBondContact O-CG 3.36Å; L150-L154 PolarHBondContact O-N 2.97Å; K151-L154 PolarHBondContact O-N 3.2Å; L154-N156 VanDerWaalsContact C-N 3.29Å; L154-E230 HydrophobicContact CD1-CB 4.49Å; L154-I231 HydrophobicContact CD1-CG1 4.49Å; L154-W234 HydrophobicContact CB-CB 4.17Å; L154-W234 HydrophobicContact CB-CG 3.84Å; L154-W234 HydrophobicContact CD1-CB 4.2Å; L154-W234 HydrophobicContact CD1-CG 4.31Å; L154-W234 HydrophobicContact CD2-CB 4.44Å; L154-W234 VanDerWaalsContact O-CD1 3.27Å
155	C	81.1	Confident	76.5	Confident	59 Å²	59	60.1 Å²	60.1	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-72.1	-20.5	170.6	-71.6	0	0	0	0	113.8	K151 F153 P236	K151-C155 PolarHBondContact O-N 3.49Å; K151-C155 PolarHBondContact O-SG 2.73Å; K151-C155 VanDerWaalsContact O-SG 3.35Å; F153-C155 VanDerWaalsContact C-N 3.28Å; F153-C155 PolarHBondContact O-N 3.36Å; C155-P236 HydrophobicContact CB-CG 4.45Å
156	N	73	Confident	76.1	Confident	127 Å²	127	62 Å²	62	68%	0.679	32%	0.316	S	S	*	.	H	α-helix	trans	-108.6	-24.9	-173.5	-65.1	-9.6	0	0	0	113.8	Q152 F153 L154	Q152-N156 VanDerWaalsContact O-CG 3.26Å; Q152-N156 PolarHBondContact O-N 3.02Å; Q152-N156 PolarHBondContact O-ND2 3.06Å; F153-N156 PolarHBondContact O-N 3.21Å; L154-N156 VanDerWaalsContact C-N 3.29Å
157	S	67.7	Low	76.7	Confident	27 Å²	27	56.6 Å²	56.6	19%	0.189	29%	0.287	C	S	.	.			trans	-79.7	144.4	176.3	170.4	0	0	0	0	112.1	F153 E690	F153-S157 PolarHBondContact O-N 2.89Å; S157-E690 WeakPolarHBondContact CA-OE1 3.16Å; S157-E690 WeakPolarHBondContact CB-OE1 3.45Å; S157-E690 PolarHBondContact OG-OE1 3.16Å
158	A	54.4	Low	77.4	Confident	66 Å²	66	54.4 Å²	54.4	55%	0.545	28%	0.277	S	S	.	.	S	Bend	trans	-95.8	-17.1	-175.1	0	0	0	0	0	114.5	E690	A158-E690 PolarHBondContact N-OE1 3.02Å
159	K	56.1	Low	77.5	Confident	114 Å²	114	52.2 Å²	52.2	50%	0.496	26%	0.263	S	S	.	.			trans	-170.7	100.1	168.3	-89.7	131.5	-159.8	84.9	0	112.7	N161	K159-N161 PolarHBondContact O-N 2.96Å
160	N	55.1	Low	77.4	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.091	26%	0.257	C	S	.	.			trans	-89.6	16.5	176.2	-160.2	19.4	0	0	0	116.1	F153 R162 L163 H167	F153-N160 HydrophobicContact CE1-CB 4.11Å; F153-N160 WeakPolarHBondContact CE1-ND2 3.34Å; N160-R162 PolarHBondContact O-N 3.11Å; N160-L163 PolarHBondContact O-N 3.47Å; N160-L163 WeakPolarHBondContact OD1-CB 3.01Å; N160-H167 PolarHBondContact ND2-CD2 3.16Å; N160-H167 VanDerWaalsContact ND2-CD2 3.29Å; N160-H167 PolarHBondContact ND2-NE2 2.92Å
161	N	60.7	Low	77.5	Confident	81 Å²	81	51.3 Å²	51.3	43%	0.433	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.4	-176.4	-89.9	-27.6	0	0	0	114.9	K159 A232	K159-N161 PolarHBondContact O-N 2.96Å; N161-A232 PolarHBondContact ND2-O 3.35Å; N161-A232 WeakPolarHBondContact OD1-CA 3.22Å; N161-A232 PolarHBondContact OD1-O 3.01Å
162	R	64.6	Low	77.6	Confident	177 Å²	177	46.8 Å²	46.8	67%	0.668	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-22	177.9	-71.9	-176.9	171	-163.5	-6.2	114.5	N160	N160-R162 PolarHBondContact O-N 3.11Å
163	L	75.8	Confident	77.6	Confident	33 Å²	33	41.9 Å²	41.9	17%	0.173	21%	0.214	C	C	.	.	S	Bend	trans	-107.7	4.2	-178.1	-57.9	-179.1	0	0	0	113.2	N160 N165 R166 H167	N160-L163 PolarHBondContact O-N 3.47Å; N160-L163 WeakPolarHBondContact OD1-CB 3.01Å; L163-N165 PolarHBondContact O-N 2.84Å; L163-R166 WeakPolarHBondContact O-CB 3.48Å; L163-R166 PolarHBondContact O-N 3.09Å; L163-R166 VanDerWaalsContact O-N 3.13Å; L163-H167 WeakPolarHBondContact CB-NE2 3.12Å; L163-H167 WeakPolarHBondContact O-CB 3.3Å; L163-H167 PolarHBondContact O-CD2 2.76Å; L163-H167 PolarHBondContact O-N 2.64Å
164	W	86.7	Confident	77.8	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-54.5	-47.5	-173.7	-174.2	96.1	0	0	0	113.3	R166 H167 V168 S228 Q261 F264 I265 A287 V288	W164-R166 PolarHBondContact O-N 3.31Å; W164-H167 PolarHBondContact O-N 3.03Å; W164-V168 HydrophobicContact CD2-CG2 3.92Å; W164-V168 HydrophobicContact CE3-CG2 4.33Å; W164-V168 HydrophobicContact CG-CG2 4.38Å; W164-V168 HydrophobicContact CH2-CG1 4.36Å; W164-V168 HydrophobicContact CH2-CG2 4.33Å; W164-V168 HydrophobicContact CZ2-CG2 3.94Å; W164-V168 WeakPolarHBondContact O-CB 3.46Å; W164-V168 VanDerWaalsContact O-CG2 3.29Å; W164-V168 WeakPolarHBondContact O-CG2 3.38Å; W164-V168 PolarHBondContact O-N 2.92Å; W164-S228 PolarHBondContact NE1-O 3.02Å; W164-Q261 HydrophobicContact CD2-CG 3.81Å; W164-Q261 HydrophobicContact CE3-CG 3.76Å; W164-Q261 VanDerWaalsContact CG-NE2 3.25Å; W164-Q261 HydrophobicContact CH2-CB 4.21Å; W164-Q261 HydrophobicContact CH2-CG 3.95Å; W164-Q261 HydrophobicContact CZ2-CB 4.07Å; W164-Q261 HydrophobicContact CZ2-CG 3.96Å; W164-Q261 HydrophobicContact CZ3-CG 3.85Å; W164-F264 HydrophobicContact CH2-CB 4.01Å; W164-F264 AromaticContact CH2-CD1 3.73Å; W164-F264 HydrophobicContact CH2-CD1 3.73Å; W164-F264 HydrophobicContact CH2-CE1 4.35Å; W164-F264 AromaticContact CH2-CG 3.85Å; W164-F264 HydrophobicContact CH2-CG 3.85Å; W164-F264 HydrophobicContact CZ2-CD1 4.12Å; W164-I265 HydrophobicContact CZ2-CD1 4.14Å; W164-I265 HydrophobicContact CZ2-CG1 4.31Å; W164-A287 HydrophobicContact CH2-CB 4.01Å; W164-A287 HydrophobicContact CZ3-CB 3.73Å; W164-V288 HydrophobicContact CH2-CG1 4.33Å; W164-V288 HydrophobicContact CZ3-CG1 3.77Å
165	N	81.3	Confident	78.1	Confident	58 Å²	58	39.6 Å²	39.6	31%	0.31	20%	0.204	S	C	.	.	H	α-helix	trans	-61.3	-44.9	177.7	53.7	-62.8	0	0	0	112	L163 G169 E290	L163-N165 PolarHBondContact O-N 2.84Å; N165-G169 PolarHBondContact O-N 2.84Å; N165-E290 PolarHBondContact ND2-OE1 2.89Å
166	R	80.6	Confident	78.4	Confident	62 Å²	62	37.6 Å²	37.6	23%	0.234	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-50.3	177.7	177.2	179.5	174.4	-176.5	-6.3	110.6	L163 W164 Q170 S198 G199 N200	L163-R166 WeakPolarHBondContact O-CB 3.48Å; L163-R166 PolarHBondContact O-N 3.09Å; L163-R166 VanDerWaalsContact O-N 3.13Å; W164-R166 PolarHBondContact O-N 3.31Å; R166-Q170 WeakPolarHBondContact O-CB 3.27Å; R166-Q170 WeakPolarHBondContact O-CG 3.45Å; R166-Q170 PolarHBondContact O-N 3.43Å; R166-S198 PolarHBondContact NH2-O 3.48Å; R166-G199 PolarHBondContact NE-O 3.33Å; R166-G199 PolarHBondContact NH2-O 2.87Å; R166-G199 VanDerWaalsContact NH2-O 3.11Å; R166-N200 PolarHBondContact NE-OD1 2.99Å; R166-N200 PolarHBondContact NH2-OD1 3.44Å
167	H	87.6	Confident	79.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-49.5	-179.4	-69.7	-28	0	0	0	113	N160 L163 W164 G169 Q170 L171 Y195 G199 L201 I231	N160-H167 PolarHBondContact ND2-CD2 3.16Å; N160-H167 VanDerWaalsContact ND2-CD2 3.29Å; N160-H167 PolarHBondContact ND2-NE2 2.92Å; L163-H167 WeakPolarHBondContact CB-NE2 3.12Å; L163-H167 WeakPolarHBondContact O-CB 3.3Å; L163-H167 PolarHBondContact O-CD2 2.76Å; L163-H167 PolarHBondContact O-N 2.64Å; W164-H167 PolarHBondContact O-N 3.03Å; H167-G169 VanDerWaalsContact C-N 3.32Å; H167-G169 PolarHBondContact O-N 2.76Å; H167-Q170 WeakPolarHBondContact O-CB 3.47Å; H167-Q170 PolarHBondContact O-N 2.94Å; H167-Q170 VanDerWaalsContact O-N 3.16Å; H167-L171 WeakPolarHBondContact O-CG 3.26Å; H167-L171 PolarHBondContact O-N 3.14Å; H167-Y195 AromaticContact CE1-CE2 3.62Å; H167-Y195 AromaticContact NE2-CE2 3.57Å; H167-G199 PolarHBondContact CE1-O 3.43Å; H167-L201 HydrophobicContact CB-CD1 3.66Å; H167-L201 HydrophobicContact CB-CG 4.3Å; H167-I231 HydrophobicContact CB-CD1 4.22Å
168	V	91.2	Very high	80.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-37.1	178.8	176.1	0	0	0	0	110.9	W164 Q170 L171 L172 L224 S228 F264 V288	W164-V168 HydrophobicContact CD2-CG2 3.92Å; W164-V168 HydrophobicContact CE3-CG2 4.33Å; W164-V168 HydrophobicContact CG-CG2 4.38Å; W164-V168 HydrophobicContact CH2-CG1 4.36Å; W164-V168 HydrophobicContact CH2-CG2 4.33Å; W164-V168 HydrophobicContact CZ2-CG2 3.94Å; W164-V168 WeakPolarHBondContact O-CB 3.46Å; W164-V168 VanDerWaalsContact O-CG2 3.29Å; W164-V168 WeakPolarHBondContact O-CG2 3.38Å; W164-V168 PolarHBondContact O-N 2.92Å; V168-Q170 PolarHBondContact O-N 3.02Å; V168-L171 PolarHBondContact O-N 3.41Å; V168-L172 WeakPolarHBondContact O-CB 3.43Å; V168-L172 PolarHBondContact O-N 2.73Å; V168-L224 HydrophobicContact CG1-CD1 4.49Å; V168-S228 WeakPolarHBondContact CG2-OG 3.32Å; V168-F264 HydrophobicContact CG1-CD1 4.34Å; V168-F264 HydrophobicContact CG1-CE1 3.43Å; V168-F264 VanDerWaalsContact CG1-CE1 3.43Å; V168-F264 HydrophobicContact CG1-CE2 4.28Å; V168-F264 HydrophobicContact CG1-CZ 3.39Å; V168-V288 HydrophobicContact CB-CG1 4.19Å; V168-V288 HydrophobicContact CG1-CG1 3.88Å
169	G	85.3	Confident	81.7	Confident	3 Å²	3	29.8 Å²	29.8	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-37.8	171.6	0	0	0	0	0	113.6	N165 H167 S173	N165-G169 PolarHBondContact O-N 2.84Å; H167-G169 VanDerWaalsContact C-N 3.32Å; H167-G169 PolarHBondContact O-N 2.76Å; G169-S173 WeakPolarHBondContact O-CB 3.46Å; G169-S173 PolarHBondContact O-N 3.06Å; G169-S173 PolarHBondContact O-OG 2.9Å
170	Q	87.8	Confident	83.1	Confident	3 Å²	3	30.1 Å²	30.1	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-52	173.1	-75.2	169.6	-12	0	0	111.3	F119 R166 H167 V168 L172 S173 V174 N200	F119-Q170 HydrophobicContact CD1-CG 4.12Å; F119-Q170 HydrophobicContact CD2-CB 4.14Å; F119-Q170 HydrophobicContact CD2-CG 3.84Å; F119-Q170 HydrophobicContact CE1-CG 4.06Å; F119-Q170 HydrophobicContact CE2-CG 3.79Å; F119-Q170 HydrophobicContact CG-CB 4.17Å; F119-Q170 HydrophobicContact CG-CG 4.02Å; F119-Q170 HydrophobicContact CZ-CG 3.9Å; R166-Q170 WeakPolarHBondContact O-CB 3.27Å; R166-Q170 WeakPolarHBondContact O-CG 3.45Å; R166-Q170 PolarHBondContact O-N 3.43Å; H167-Q170 WeakPolarHBondContact O-CB 3.47Å; H167-Q170 PolarHBondContact O-N 2.94Å; H167-Q170 VanDerWaalsContact O-N 3.16Å; V168-Q170 PolarHBondContact O-N 3.02Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-L172 PolarHBondContact O-N 2.87Å; Q170-S173 PolarHBondContact O-N 3.02Å; Q170-S173 PolarHBondContact O-OG 3.19Å; Q170-V174 PolarHBondContact O-N 3.47Å; Q170-N200 PolarHBondContact NE2-OD1 3.23Å
171	L	92.7	Very high	84.5	Confident	1 Å²	1	31 Å²	31	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-43.3	177.9	-61.7	179.3	0	0	0	112.1	H167 V168 S173 V174 L175 I193 L201 V203 L224 V227 I231	H167-L171 WeakPolarHBondContact O-CG 3.26Å; H167-L171 PolarHBondContact O-N 3.14Å; V168-L171 PolarHBondContact O-N 3.41Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.82Å; L171-V174 WeakPolarHBondContact O-CB 3.39Å; L171-V174 PolarHBondContact O-N 3.45Å; L171-L175 PolarHBondContact O-N 2.88Å; L171-I193 HydrophobicContact CD1-CD1 4.01Å; L171-I193 HydrophobicContact CD2-CD1 3.68Å; L171-I193 HydrophobicContact CD2-CG1 4.08Å; L171-I193 HydrophobicContact CD2-CG2 4.23Å; L171-L201 HydrophobicContact CD1-CD1 4.24Å; L171-L201 HydrophobicContact CD2-CD1 3.98Å; L171-L201 HydrophobicContact CG-CD1 3.98Å; L171-V203 HydrophobicContact CD2-CG2 3.51Å; L171-L224 HydrophobicContact CB-CD1 3.59Å; L171-L224 HydrophobicContact CD1-CD1 4.06Å; L171-L224 HydrophobicContact CG-CD1 4.5Å; L171-V227 HydrophobicContact CD1-CG1 3.66Å; L171-I231 HydrophobicContact CD1-CD1 4.28Å
172	L	89.8	Confident	85.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-34.4	178.7	-172.2	59.6	0	0	0	112.1	V168 Q170 L175 M176 L224 F264 I279 L282 L283	V168-L172 WeakPolarHBondContact O-CB 3.43Å; V168-L172 PolarHBondContact O-N 2.73Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-L172 PolarHBondContact O-N 2.87Å; L172-L175 PolarHBondContact O-N 3.19Å; L172-M176 WeakPolarHBondContact O-CG 3.34Å; L172-M176 PolarHBondContact O-N 2.91Å; L172-L224 HydrophobicContact CB-CD2 4.32Å; L172-L224 HydrophobicContact CD1-CD2 3.73Å; L172-F264 HydrophobicContact CD2-CE2 4.39Å; L172-F264 HydrophobicContact CD2-CZ 4.38Å; L172-I279 HydrophobicContact CD1-CB 4.49Å; L172-I279 HydrophobicContact CD1-CG1 4.29Å; L172-I279 HydrophobicContact CD1-CG2 3.96Å; L172-L282 HydrophobicContact CD1-CB 4.27Å; L172-L282 HydrophobicContact CD2-CB 4.01Å; L172-L283 HydrophobicContact CD2-CB 4.44Å; L172-L283 HydrophobicContact CD2-CD2 3.62Å; L172-L283 HydrophobicContact CD2-CG 3.88Å; L172-L283 HydrophobicContact CG-CD2 3.69Å; L172-L283 HydrophobicContact CG-CG 4.12Å
173	S	86.3	Confident	86.7	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-36.4	173	71	0	0	0	0	113.3	H117 G169 Q170 L171 M176 F177	H117-S173 PolarHBondContact CE1-OG 2.87Å; G169-S173 WeakPolarHBondContact O-CB 3.46Å; G169-S173 PolarHBondContact O-N 3.06Å; G169-S173 PolarHBondContact O-OG 2.9Å; Q170-S173 PolarHBondContact O-N 3.02Å; Q170-S173 PolarHBondContact O-OG 3.19Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.82Å; S173-M176 WeakPolarHBondContact O-CB 3.1Å; S173-F177 WeakPolarHBondContact O-CB 3.29Å; S173-F177 PolarHBondContact O-N 2.85Å; S173-F177 VanDerWaalsContact O-N 3.09Å
174	V	91.1	Very high	87.3	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-46.8	173.1	177.6	0	0	0	0	110.8	F119 L120 Q170 L171 F177 L178 V203	F119-V174 HydrophobicContact CB-CG2 3.87Å; F119-V174 VanDerWaalsContact O-CG2 3.26Å; F119-V174 WeakPolarHBondContact O-CG2 3.45Å; L120-V174 HydrophobicContact CB-CG1 4.24Å; L120-V174 HydrophobicContact CB-CG2 4.45Å; L120-V174 HydrophobicContact CD1-CG1 3.91Å; L120-V174 HydrophobicContact CG-CG1 4.47Å; Q170-V174 PolarHBondContact O-N 3.47Å; L171-V174 WeakPolarHBondContact O-CB 3.39Å; L171-V174 PolarHBondContact O-N 3.45Å; V174-F177 WeakPolarHBondContact O-CB 3.45Å; V174-F177 PolarHBondContact O-N 2.96Å; V174-F177 VanDerWaalsContact O-N 3.15Å; V174-L178 HydrophobicContact CG1-CD1 3.93Å; V174-L178 HydrophobicContact CG1-CG 4.34Å; V174-L178 WeakPolarHBondContact O-CG 3.25Å; V174-L178 PolarHBondContact O-N 2.82Å; V174-V203 HydrophobicContact CB-CG2 4.11Å; V174-V203 HydrophobicContact CG1-CB 4.02Å; V174-V203 HydrophobicContact CG1-CG1 4.17Å; V174-V203 HydrophobicContact CG1-CG2 4.04Å; V174-V203 HydrophobicContact CG2-CB 4.31Å; V174-V203 HydrophobicContact CG2-CG2 3.83Å
175	L	90.9	Very high	87.5	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-63.1	-42.8	178	-67.6	-173.8	0	0	0	112.1	L171 L172 F177 L178 H179 H185 L188 D220 L224 I279	L171-L175 PolarHBondContact O-N 2.88Å; L172-L175 PolarHBondContact O-N 3.19Å; L175-F177 VanDerWaalsContact C-N 3.26Å; L175-F177 PolarHBondContact O-N 2.85Å; L175-L178 PolarHBondContact O-N 3.23Å; L175-H179 VanDerWaalsContact O-CB 3.27Å; L175-H179 WeakPolarHBondContact O-CB 3.15Å; L175-H179 PolarHBondContact O-CD2 3.19Å; L175-H179 VanDerWaalsContact O-CD2 3.22Å; L175-H179 PolarHBondContact O-N 3.38Å; L175-H185 HydrophobicContact CD2-CB 4.02Å; L175-L188 HydrophobicContact CD1-CD2 4Å; L175-L188 HydrophobicContact CD2-CD2 4.29Å; L175-L188 HydrophobicContact CG-CD2 4.38Å; L175-D220 HydrophobicContact CD1-CB 4.03Å; L175-D220 HydrophobicContact CD2-CB 3.79Å; L175-L224 HydrophobicContact CD1-CB 4.06Å; L175-L224 HydrophobicContact CD1-CD2 4.24Å; L175-I279 HydrophobicContact CB-CD1 4.16Å
176	M	86.9	Confident	87.9	Confident	17 Å²	17	16.5 Å²	16.5	8%	0.084	8%	0.083	C	C	.	.	H	α-helix	trans	-52.6	-45	171.1	-77.4	-176.2	81.1	0	0	112.6	L172 S173 R180 I279 L283 C382 W384	L172-M176 WeakPolarHBondContact O-CG 3.34Å; L172-M176 PolarHBondContact O-N 2.91Å; S173-M176 WeakPolarHBondContact O-CB 3.1Å; M176-R180 WeakPolarHBondContact O-CB 3.45Å; M176-R180 PolarHBondContact O-N 3.11Å; M176-I279 HydrophobicContact CG-CG2 3.66Å; M176-L283 HydrophobicContact CE-CD1 3.53Å; M176-L283 HydrophobicContact CG-CD1 3.81Å; M176-L283 HydrophobicContact CG-CD2 4.18Å; M176-L283 HydrophobicContact CG-CG 4.42Å; M176-L283 HydrophobicContact SD-CD1 3.29Å; M176-L283 WeakPolarHBondContact SD-CD1 3.29Å; M176-L283 HydrophobicContact SD-CD2 3.45Å; M176-L283 WeakPolarHBondContact SD-CD2 3.43Å; M176-L283 HydrophobicContact SD-CG 3.97Å; M176-C382 VanDerWaalsContact CE-SG 3.5Å; M176-W384 HydrophobicContact CE-CH2 4.05Å; M176-W384 HydrophobicContact CE-CZ2 3.66Å
177	F	88.2	Confident	88.3	Confident	33 Å²	33	15.4 Å²	15.4	15%	0.145	8%	0.082	C	C	.	.	H	α-helix	trans	-67.9	-48.2	-176.4	166.8	-100	0	0	0	111.2	L112 N115 H117 L120 S173 V174 L175 R180 L181	L112-F177 HydrophobicContact CD2-CE1 3.64Å; L112-F177 HydrophobicContact CD2-CZ 3.9Å; N115-F177 HydrophobicContact CB-CE2 4.27Å; N115-F177 HydrophobicContact CB-CZ 4.23Å; N115-F177 VanDerWaalsContact O-CZ 3.22Å; N115-F177 WeakPolarHBondContact O-CZ 3.48Å; H117-F177 HydrophobicContact CB-CD1 3.87Å; H117-F177 HydrophobicContact CB-CD2 4.48Å; H117-F177 HydrophobicContact CB-CE1 4.05Å; H117-F177 HydrophobicContact CB-CG 4.11Å; H117-F177 HydrophobicContact CB-CZ 4.44Å; L120-F177 HydrophobicContact CD2-CD1 4.05Å; L120-F177 HydrophobicContact CD2-CE1 3.83Å; S173-F177 WeakPolarHBondContact O-CB 3.29Å; S173-F177 PolarHBondContact O-N 2.85Å; S173-F177 VanDerWaalsContact O-N 3.09Å; V174-F177 WeakPolarHBondContact O-CB 3.45Å; V174-F177 PolarHBondContact O-N 2.96Å; V174-F177 VanDerWaalsContact O-N 3.15Å; L175-F177 VanDerWaalsContact C-N 3.26Å; L175-F177 PolarHBondContact O-N 2.85Å; F177-R180 PolarHBondContact O-N 3.25Å; F177-L181 HydrophobicContact CE1-CD1 3.88Å; F177-L181 HydrophobicContact CE2-CD1 3.94Å; F177-L181 HydrophobicContact CZ-CD1 3.51Å; F177-L181 WeakPolarHBondContact O-CG 3.38Å; F177-L181 PolarHBondContact O-N 3.21Å
178	L	89.6	Confident	88.5	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-48.9	176.8	-67.6	176.5	0	0	0	111.5	L112 L120 V174 L175 R180 L181 G182 V183 H185	L112-L178 HydrophobicContact CD2-CD2 4.19Å; L120-L178 HydrophobicContact CD2-CD2 3.94Å; L120-L178 HydrophobicContact CD2-CG 4.49Å; V174-L178 HydrophobicContact CG1-CD1 3.93Å; V174-L178 HydrophobicContact CG1-CG 4.34Å; V174-L178 WeakPolarHBondContact O-CG 3.25Å; V174-L178 PolarHBondContact O-N 2.82Å; L175-L178 PolarHBondContact O-N 3.23Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 3Å; L178-L181 CarbonylContact O-C 3.56Å; L178-L181 WeakPolarHBondContact O-CA 3.4Å; L178-L181 WeakPolarHBondContact O-CB 3.29Å; L178-L181 PolarHBondContact O-N 3.5Å; L178-G182 PolarHBondContact O-N 3.14Å; L178-V183 CarbonylContact C-O 3.58Å; L178-V183 HydrophobicContact CB-CB 4.12Å; L178-V183 WeakPolarHBondContact CB-O 3.49Å; L178-V183 HydrophobicContact CD2-CB 4.33Å; L178-V183 HydrophobicContact CD2-CG1 4.18Å; L178-V183 WeakPolarHBondContact O-CB 3.41Å; L178-V183 PolarHBondContact O-N 3.14Å; L178-H185 HydrophobicContact CD1-CB 3.98Å
179	H	87.8	Confident	88.6	Confident	22 Å²	22	17.7 Å²	17.7	10%	0.102	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-32.4	-178.8	-66.3	-161.5	0	0	0	111.5	L175 L181 G182 V183 E217 D220 I279	L175-H179 VanDerWaalsContact O-CB 3.27Å; L175-H179 WeakPolarHBondContact O-CB 3.15Å; L175-H179 PolarHBondContact O-CD2 3.19Å; L175-H179 VanDerWaalsContact O-CD2 3.22Å; L175-H179 PolarHBondContact O-N 3.38Å; H179-L181 PolarHBondContact O-N 3.01Å; H179-G182 PolarHBondContact O-N 3.31Å; H179-V183 PolarHBondContact CD2-O 2.84Å; H179-V183 PolarHBondContact N-O 3.18Å; H179-E217 VanDerWaalsContact CE1-CA 3.48Å; H179-E217 WeakPolarHBondContact CE1-CA 3.28Å; H179-E217 VanDerWaalsContact CE1-CB 3.5Å; H179-E217 WeakPolarHBondContact CE1-CB 3.38Å; H179-E217 PolarHBondContact CE1-O 3.13Å; H179-D220 IonicContact CD2-OD2 3.7Å; H179-D220 IonicContact CE1-OD2 3.11Å; H179-D220 IonicContact NE2-OD2 3.4Å; H179-D220 PolarHBondContact NE2-OD2 3.45Å; H179-I279 VanDerWaalsContact CE1-CD1 3.49Å; H179-I279 WeakPolarHBondContact CE1-CD1 3.32Å; H179-I279 WeakPolarHBondContact ND1-CD1 3.26Å
180	R	85.1	Confident	88.8	Confident	121 Å²	121	18.4 Å²	18.4	46%	0.457	10%	0.098	S	C	.	.	H	α-helix	trans	-62.7	-30.9	171	-174.3	-173.3	-63	-158	1.7	112.3	M176 F177 L178 G182 C382 H383	M176-R180 WeakPolarHBondContact O-CB 3.45Å; M176-R180 PolarHBondContact O-N 3.11Å; F177-R180 PolarHBondContact O-N 3.25Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 3Å; R180-G182 VanDerWaalsContact C-N 3.3Å; R180-C382 PolarHBondContact NH2-SG 2.8Å; R180-H383 PolarHBondContact NH1-O 2.93Å
181	L	85	Confident	88.9	Confident	36 Å²	36	21.7 Å²	21.7	19%	0.188	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.7	174	-65.7	175.4	0	0	0	113.5	K111 L112 F177 L178 H179 V183	K111-L181 HydrophobicContact CD-CD2 4.01Å; K111-L181 HydrophobicContact CG-CD2 4.4Å; L112-L181 HydrophobicContact CD2-CD1 3.52Å; L112-L181 HydrophobicContact CG-CD1 4.47Å; F177-L181 HydrophobicContact CE1-CD1 3.88Å; F177-L181 HydrophobicContact CE2-CD1 3.94Å; F177-L181 HydrophobicContact CZ-CD1 3.51Å; F177-L181 WeakPolarHBondContact O-CG 3.38Å; F177-L181 PolarHBondContact O-N 3.21Å; L178-L181 CarbonylContact O-C 3.56Å; L178-L181 WeakPolarHBondContact O-CA 3.4Å; L178-L181 WeakPolarHBondContact O-CB 3.29Å; L178-L181 PolarHBondContact O-N 3.5Å; H179-L181 PolarHBondContact O-N 3.01Å; L181-V183 HydrophobicContact CB-CG2 3.87Å
182	G	83.4	Confident	88.8	Confident	41 Å²	41	22 Å²	22	42%	0.423	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	30.2	-172.8	0	0	0	0	0	113.2	L178 H179 R180	L178-G182 PolarHBondContact O-N 3.14Å; H179-G182 PolarHBondContact O-N 3.31Å; R180-G182 VanDerWaalsContact C-N 3.3Å
183	V	86.9	Confident	89	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.			trans	-118.1	129.2	-175.2	-171.4	0	0	0	0	110.3	L108 L178 H179 L181 C211	L108-V183 HydrophobicContact CD1-CG2 3.31Å; L108-V183 HydrophobicContact CD2-CG1 4.03Å; L108-V183 HydrophobicContact CD2-CG2 3.66Å; L108-V183 HydrophobicContact CG-CG2 3.92Å; L178-V183 CarbonylContact C-O 3.58Å; L178-V183 HydrophobicContact CB-CB 4.12Å; L178-V183 WeakPolarHBondContact CB-O 3.49Å; L178-V183 HydrophobicContact CD2-CB 4.33Å; L178-V183 HydrophobicContact CD2-CG1 4.18Å; L178-V183 WeakPolarHBondContact O-CB 3.41Å; L178-V183 PolarHBondContact O-N 3.14Å; H179-V183 PolarHBondContact CD2-O 2.84Å; H179-V183 PolarHBondContact N-O 3.18Å; L181-V183 HydrophobicContact CB-CG2 3.87Å; V183-C211 VanDerWaalsContact CA-O 3.29Å; V183-C211 WeakPolarHBondContact CA-O 3.35Å; V183-C211 HydrophobicContact CG1-CB 4Å
184	A	89.5	Confident	89.3	Confident	2 Å²	2	23.1 Å²	23.1	2%	0.017	12%	0.12	C	C	.	.			trans	-91.6	145.5	163.8	0	0	0	0	0	110.6	C211 D220	A184-C211 PolarHBondContact N-O 2.77Å; A184-C211 VanDerWaalsContact O-CA 3.27Å; A184-C211 WeakPolarHBondContact O-CA 3.18Å; A184-C211 WeakPolarHBondContact O-CB 3.5Å; A184-D220 VanDerWaalsContact CA-OD2 3.26Å; A184-D220 WeakPolarHBondContact CA-OD2 3.34Å
185	H	91.3	Very high	89.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.			trans	-71.9	-42.5	173.8	-169.9	-100.7	0	0	0	111.2	L175 L178 N187 L188 V203 L205 F206 A207 D220	L175-H185 HydrophobicContact CD2-CB 4.02Å; L178-H185 HydrophobicContact CD1-CB 3.98Å; H185-N187 PolarHBondContact CE1-O 3.33Å; H185-N187 VanDerWaalsContact CE1-O 3.3Å; H185-N187 VanDerWaalsContact ND1-C 3.3Å; H185-N187 PolarHBondContact ND1-O 3Å; H185-N187 PolarHBondContact O-N 2.91Å; H185-L188 WeakPolarHBondContact ND1-CA 3.44Å; H185-L188 PolarHBondContact ND1-N 2.83Å; H185-L188 VanDerWaalsContact ND1-N 3.18Å; H185-V203 WeakPolarHBondContact NE2-CG1 3.47Å; H185-L205 PolarHBondContact CE1-O 3.15Å; H185-L205 PolarHBondContact NE2-O 3.47Å; H185-F206 CarbonylContact O-C 3.54Å; H185-F206 WeakPolarHBondContact O-CA 3.35Å; H185-F206 VanDerWaalsContact O-CB 3.23Å; H185-F206 WeakPolarHBondContact O-CB 3.45Å; H185-A207 PolarHBondContact O-N 3.41Å; H185-D220 WeakPolarHBondContact CB-OD1 3.46Å; H185-D220 PolarHBondContact N-OD1 2.7Å; H185-D220 PolarHBondContact N-OD2 2.82Å
186	G	88.3	Confident	88.9	Confident	3 Å²	3	25.6 Å²	25.6	3%	0.031	13%	0.13	C	C	.	.			trans	64.9	-5.6	172.2	0	0	0	0	0	116.5	F219 D220	G186-F219 WeakPolarHBondContact O-CE1 3.15Å; G186-D220 PolarHBondContact N-OD1 3.26Å
187	N	89.4	Confident	88.4	Confident	39 Å²	39	32.1 Å²	32.1	21%	0.209	17%	0.166	C	C	.	.			trans	-139.7	35.6	-179.5	-166.1	55	0	0	0	111.5	I69 H185 T189 S192 A207	I69-N187 WeakPolarHBondContact CD1-ND2 3.48Å; I69-N187 HydrophobicContact CG1-CB 4.36Å; I69-N187 WeakPolarHBondContact CG1-ND2 3.48Å; H185-N187 PolarHBondContact CE1-O 3.33Å; H185-N187 VanDerWaalsContact CE1-O 3.3Å; H185-N187 VanDerWaalsContact ND1-C 3.3Å; H185-N187 PolarHBondContact ND1-O 3Å; H185-N187 PolarHBondContact O-N 2.91Å; N187-T189 PolarHBondContact O-N 3.16Å; N187-S192 VanDerWaalsContact O-CB 3.27Å; N187-S192 WeakPolarHBondContact O-CB 3.1Å; N187-S192 PolarHBondContact O-OG 3.33Å; N187-A207 HydrophobicContact CB-CB 4.06Å
188	L	93	Very high	87.6	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.181	C	C	.	.			trans	-81.1	98.2	-174.4	-172.7	72.1	0	0	0	111	L175 H185 I193 V203 S223 L224	L175-L188 HydrophobicContact CD1-CD2 4Å; L175-L188 HydrophobicContact CD2-CD2 4.29Å; L175-L188 HydrophobicContact CG-CD2 4.38Å; H185-L188 WeakPolarHBondContact ND1-CA 3.44Å; H185-L188 PolarHBondContact ND1-N 2.83Å; H185-L188 VanDerWaalsContact ND1-N 3.18Å; L188-I193 HydrophobicContact CD1-CD1 3.91Å; L188-I193 HydrophobicContact CD1-CG1 4.2Å; L188-I193 HydrophobicContact CG-CD1 4.41Å; L188-V203 HydrophobicContact CD1-CG1 4.09Å; L188-V203 HydrophobicContact CD1-CG2 4.31Å; L188-S223 WeakPolarHBondContact O-CB 3.43Å; L188-L224 HydrophobicContact CD2-CB 4.14Å
189	T	91.7	Very high	87	Confident	46 Å²	46	34.1 Å²	34.1	28%	0.282	19%	0.186	S	C	.	.	S	Bend	trans	-139.5	166.5	177.3	82.9	0	0	0	0	111.5	N187 E191 S192 I193	N187-T189 PolarHBondContact O-N 3.16Å; T189-E191 WeakPolarHBondContact CB-OE2 3.01Å; T189-E191 PolarHBondContact O-N 3.49Å; T189-E191 VanDerWaalsContact O-N 3.16Å; T189-E191 PolarHBondContact OG1-N 3.27Å; T189-E191 PolarHBondContact OG1-OE2 3.08Å; T189-S192 PolarHBondContact N-OG 2.76Å; T189-S192 VanDerWaalsContact N-OG 3.07Å; T189-S192 PolarHBondContact O-N 3.39Å; T189-S192 PolarHBondContact O-OG 3.47Å; T189-S192 PolarHBondContact OG1-N 2.67Å; T189-I193 VanDerWaalsContact O-CD1 3.3Å; T189-I193 WeakPolarHBondContact O-CD1 3.27Å; T189-I193 VanDerWaalsContact O-CG1 3.23Å; T189-I193 WeakPolarHBondContact O-CG1 3.14Å; T189-I193 PolarHBondContact O-N 2.91Å
190	K	90.2	Very high	86.8	Confident	18 Å²	18	33.9 Å²	33.9	8%	0.078	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.1	174.2	63.2	175.8	-179.2	-54	0	114.2	L150 K151 E230 W234	L150-K190 CarbonylContact C-O 3.58Å; L150-K190 HydrophobicContact CB-CB 4.12Å; L150-K190 WeakPolarHBondContact CB-O 3.4Å; L150-K190 HydrophobicContact CD2-CB 4.08Å; L150-K190 HydrophobicContact CG-CB 4.03Å; L150-K190 PolarHBondContact N-O 3.18Å; K151-K190 HydrophobicContact CB-CB 4.5Å; K151-K190 HydrophobicContact CB-CD 4.12Å; K151-K190 HydrophobicContact CB-CG 4.05Å; K151-K190 HydrophobicContact CG-CD 4.42Å; K151-K190 PolarHBondContact N-O 3.4Å; K190-E230 WeakPolarHBondContact CD-OE2 3.19Å; K190-E230 WeakPolarHBondContact CE-OE1 3.11Å; K190-E230 WeakPolarHBondContact CG-OE2 3.16Å; K190-E230 IonicContact NZ-OE1 4Å; K190-E230 PolarHBondContact NZ-OE1 3.24Å; K190-E230 IonicContact NZ-OE2 3.98Å; K190-W234 HydrophobicContact CD-CE3 4.32Å; K190-W234 HydrophobicContact CD-CH2 4.3Å; K190-W234 HydrophobicContact CD-CZ3 4.15Å
191	E	89.5	Confident	87.1	Confident	71 Å²	71	28.1 Å²	28.1	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-31	172.4	-61.4	74.4	-163.2	0	0	112	K151 T189	K151-E191 HydrophobicContact CB-CG 4.48Å; K151-E191 HydrophobicContact CD-CG 3.81Å; T189-E191 WeakPolarHBondContact CB-OE2 3.01Å; T189-E191 PolarHBondContact O-N 3.49Å; T189-E191 VanDerWaalsContact O-N 3.16Å; T189-E191 PolarHBondContact OG1-N 3.27Å; T189-E191 PolarHBondContact OG1-OE2 3.08Å
192	S	91.3	Very high	87.4	Confident	8 Å²	8	28.9 Å²	28.9	6%	0.056	16%	0.164	C	C	.	.	S	Bend	trans	-91.7	-1.7	178	78.2	0	0	0	0	113.8	N187 T189 G204	N187-S192 VanDerWaalsContact O-CB 3.27Å; N187-S192 WeakPolarHBondContact O-CB 3.1Å; N187-S192 PolarHBondContact O-OG 3.33Å; T189-S192 PolarHBondContact N-OG 2.76Å; T189-S192 VanDerWaalsContact N-OG 3.07Å; T189-S192 PolarHBondContact O-N 3.39Å; T189-S192 PolarHBondContact O-OG 3.47Å; T189-S192 PolarHBondContact OG1-N 2.67Å; S192-G204 WeakPolarHBondContact O-CA 3.32Å; S192-G204 PolarHBondContact O-N 3.38Å
193	I	94	Very high	87.9	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138	-179.9	-63.7	161	0	0	0	107.8	T149 L150 L171 L188 T189 L201 R202 V203 V227	T149-I193 CarbonylContact C-O 3.58Å; T149-I193 WeakPolarHBondContact CA-O 3.48Å; L150-I193 HydrophobicContact CB-CB 4.08Å; L150-I193 HydrophobicContact CB-CG2 4.02Å; L150-I193 HydrophobicContact CD2-CB 4.24Å; L150-I193 HydrophobicContact CD2-CD1 4.26Å; L150-I193 HydrophobicContact CD2-CG2 3.99Å; L150-I193 PolarHBondContact N-O 3.46Å; L171-I193 HydrophobicContact CD1-CD1 4.01Å; L171-I193 HydrophobicContact CD2-CD1 3.68Å; L171-I193 HydrophobicContact CD2-CG1 4.08Å; L171-I193 HydrophobicContact CD2-CG2 4.23Å; L188-I193 HydrophobicContact CD1-CD1 3.91Å; L188-I193 HydrophobicContact CD1-CG1 4.2Å; L188-I193 HydrophobicContact CG-CD1 4.41Å; T189-I193 VanDerWaalsContact O-CD1 3.3Å; T189-I193 WeakPolarHBondContact O-CD1 3.27Å; T189-I193 VanDerWaalsContact O-CG1 3.23Å; T189-I193 WeakPolarHBondContact O-CG1 3.14Å; T189-I193 PolarHBondContact O-N 2.91Å; I193-L201 HydrophobicContact CG2-CB 4.04Å; I193-L201 HydrophobicContact CG2-CD1 4.08Å; I193-L201 HydrophobicContact CG2-CD2 4.1Å; I193-L201 HydrophobicContact CG2-CG 4.29Å; I193-R202 WeakPolarHBondContact CA-O 3.04Å; I193-V203 HydrophobicContact CG1-CG2 4.42Å; I193-V227 HydrophobicContact CD1-CG1 3.77Å; I193-V227 HydrophobicContact CD1-CG2 4.33Å
194	Y	93.2	Very high	88.1	Confident	24 Å²	24	27 Å²	27	9%	0.094	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.4	-176.9	-67.1	-100.8	0	0	0	109.1	Q68 L145 E147 T149 L201 R202	Q68-Y194 PolarHBondContact NE2-OH 3.44Å; L145-Y194 HydrophobicContact CB-CD1 3.83Å; L145-Y194 HydrophobicContact CB-CD2 4.49Å; L145-Y194 HydrophobicContact CB-CE1 3.99Å; L145-Y194 HydrophobicContact CB-CG 4.13Å; L145-Y194 HydrophobicContact CD1-CD1 4.42Å; L145-Y194 HydrophobicContact CD1-CD2 3.6Å; L145-Y194 HydrophobicContact CD1-CE2 3.92Å; L145-Y194 HydrophobicContact CD1-CG 3.92Å; E147-Y194 WeakPolarHBondContact O-CD1 3.46Å; T149-Y194 HydrophobicContact CG2-CD1 4.43Å; T149-Y194 HydrophobicContact CG2-CE1 3.99Å; Y194-L201 CarbonylContact O-C 3.59Å; Y194-L201 WeakPolarHBondContact O-CA 3.41Å; Y194-R202 PolarHBondContact N-O 2.85Å; Y194-R202 PolarHBondContact O-N 3.37Å
195	Y	89.7	Confident	88	Confident	31 Å²	31	27.2 Å²	27.2	12%	0.122	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.3	177.2	-175.7	-79.8	0	0	0	109.4	C148 F153 H167 L201	C148-Y195 PolarHBondContact O-N 3.26Å; F153-Y195 HydrophobicContact CB-CD2 4.41Å; F153-Y195 HydrophobicContact CB-CG 4.05Å; F153-Y195 AromaticContact CD1-CD2 3.82Å; F153-Y195 HydrophobicContact CD1-CD2 3.82Å; F153-Y195 HydrophobicContact CD1-CE2 4.05Å; F153-Y195 HydrophobicContact CD1-CG 4.24Å; F153-Y195 AromaticContact CD2-CD1 3.43Å; F153-Y195 HydrophobicContact CD2-CD1 3.43Å; F153-Y195 VanDerWaalsContact CD2-CD1 3.43Å; F153-Y195 AromaticContact CD2-CD2 3.87Å; F153-Y195 HydrophobicContact CD2-CD2 3.87Å; F153-Y195 AromaticContact CD2-CE1 3.61Å; F153-Y195 HydrophobicContact CD2-CE1 3.61Å; F153-Y195 HydrophobicContact CD2-CE2 4.01Å; F153-Y195 AromaticContact CD2-CG 3.58Å; F153-Y195 HydrophobicContact CD2-CG 3.58Å; F153-Y195 AromaticContact CD2-CZ 3.89Å; F153-Y195 HydrophobicContact CE1-CD2 4.06Å; F153-Y195 AromaticContact CE1-CE2 3.79Å; F153-Y195 HydrophobicContact CE1-CE2 3.79Å; F153-Y195 AromaticContact CE2-CD1 3.78Å; F153-Y195 HydrophobicContact CE2-CD1 3.78Å; F153-Y195 HydrophobicContact CE2-CD2 4.1Å; F153-Y195 AromaticContact CE2-CE1 3.41Å; F153-Y195 HydrophobicContact CE2-CE1 3.41Å; F153-Y195 VanDerWaalsContact CE2-CE1 3.41Å; F153-Y195 AromaticContact CE2-CE2 3.74Å; F153-Y195 HydrophobicContact CE2-CE2 3.74Å; F153-Y195 HydrophobicContact CE2-CG 4.12Å; F153-Y195 AromaticContact CE2-CZ 3.38Å; F153-Y195 HydrophobicContact CG-CD1 4.02Å; F153-Y195 AromaticContact CG-CD2 3.73Å; F153-Y195 HydrophobicContact CG-CD2 3.73Å; F153-Y195 HydrophobicContact CG-CE1 4.44Å; F153-Y195 HydrophobicContact CG-CE2 4.16Å; F153-Y195 AromaticContact CG-CG 3.65Å; F153-Y195 HydrophobicContact CG-CG 3.65Å; F153-Y195 HydrophobicContact CZ-CD2 4.19Å; F153-Y195 HydrophobicContact CZ-CE1 4.12Å; F153-Y195 AromaticContact CZ-CE2 3.62Å; F153-Y195 HydrophobicContact CZ-CE2 3.62Å; F153-Y195 AromaticContact CZ-CZ 3.58Å; H167-Y195 AromaticContact CE1-CE2 3.62Å; H167-Y195 AromaticContact NE2-CE2 3.57Å; Y195-L201 HydrophobicContact CD2-CD2 3.81Å; Y195-L201 HydrophobicContact CG-CD2 4.45Å
196	Q	84	Confident	87.8	Confident	22 Å²	22	27.5 Å²	27.5	10%	0.103	15%	0.146	C	C	.	.			trans	-83.5	150.5	-174.4	-57.1	-144	-99.1	0	0	113	E147 S198 G199 N200 R202	E147-Q196 WeakPolarHBondContact OE1-CA 3.39Å; E147-Q196 VanDerWaalsContact OE1-CB 3.25Å; E147-Q196 WeakPolarHBondContact OE1-CB 3.29Å; E147-Q196 PolarHBondContact OE1-NE2 2.97Å; E147-Q196 VanDerWaalsContact OE2-CG 3.28Å; E147-Q196 WeakPolarHBondContact OE2-CG 3.43Å; E147-Q196 PolarHBondContact OE2-NE2 3.32Å; Q196-S198 PolarHBondContact O-N 2.05Å; Q196-G199 PolarHBondContact O-N 2.86Å; Q196-N200 HydrophobicContact CB-CB 4.25Å; Q196-N200 WeakPolarHBondContact CB-O 3.27Å; Q196-N200 HydrophobicContact CG-CB 4.26Å; Q196-N200 WeakPolarHBondContact CG-O 3.26Å; Q196-N200 PolarHBondContact N-O 2.91Å; Q196-R202 VanDerWaalsContact CD-CD 3.47Å; Q196-R202 HydrophobicContact CG-CG 3.99Å
197	N	76.1	Confident	87.6	Confident	154 Å²	154	27.4 Å²	27.4	82%	0.824	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.1	171.6	-72.3	-5.7	0	0	0	113.2	E147	E147-N197 PolarHBondContact OE1-N 3.29Å
198	S	71.1	Confident	87.3	Confident	66 Å²	66	25.9 Å²	25.9	46%	0.462	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6.6	172.8	60	0	0	0	0	114.9	R166 Q196 N200	R166-S198 PolarHBondContact NH2-O 3.48Å; Q196-S198 PolarHBondContact O-N 2.05Å; S198-N200 VanDerWaalsContact C-N 3.28Å; S198-N200 PolarHBondContact O-N 2.03Å; S198-N200 PolarHBondContact OG-ND2 3.45Å
199	G	77.4	Confident	86.4	Confident	10 Å²	10	27.6 Å²	27.6	10%	0.103	16%	0.155	C	C	.	.	S	Bend	trans	70	23.2	-175.5	0	0	0	0	0	113.8	R166 H167 Q196	R166-G199 PolarHBondContact NE-O 3.33Å; R166-G199 PolarHBondContact NH2-O 2.87Å; R166-G199 VanDerWaalsContact NH2-O 3.11Å; H167-G199 PolarHBondContact CE1-O 3.43Å; Q196-G199 PolarHBondContact O-N 2.86Å
200	N	83.5	Confident	85.6	Confident	16 Å²	16	28.9 Å²	28.9	9%	0.086	16%	0.155	C	C	.	.			trans	-109.7	164.1	178.8	-65.9	-45.9	0	0	0	110.7	F119 R166 Q170 Q196 S198	F119-N200 HydrophobicContact CD1-CB 4.43Å; F119-N200 HydrophobicContact CE1-CB 4.13Å; R166-N200 PolarHBondContact NE-OD1 2.99Å; R166-N200 PolarHBondContact NH2-OD1 3.44Å; Q170-N200 PolarHBondContact NE2-OD1 3.23Å; Q196-N200 HydrophobicContact CB-CB 4.25Å; Q196-N200 WeakPolarHBondContact CB-O 3.27Å; Q196-N200 HydrophobicContact CG-CB 4.26Å; Q196-N200 WeakPolarHBondContact CG-O 3.26Å; Q196-N200 PolarHBondContact N-O 2.91Å; S198-N200 VanDerWaalsContact C-N 3.28Å; S198-N200 PolarHBondContact O-N 2.03Å; S198-N200 PolarHBondContact OG-ND2 3.45Å
201	L	90.4	Very high	85	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.6	169.5	-59.2	-177.2	0	0	0	111.7	F119 L150 H167 L171 I193 Y194 Y195	F119-L201 WeakPolarHBondContact CB-O 3.16Å; F119-L201 WeakPolarHBondContact CD1-O 3.44Å; L150-L201 HydrophobicContact CD1-CD2 4.18Å; H167-L201 HydrophobicContact CB-CD1 3.66Å; H167-L201 HydrophobicContact CB-CG 4.3Å; L171-L201 HydrophobicContact CD1-CD1 4.24Å; L171-L201 HydrophobicContact CD2-CD1 3.98Å; L171-L201 HydrophobicContact CG-CD1 3.98Å; I193-L201 HydrophobicContact CG2-CB 4.04Å; I193-L201 HydrophobicContact CG2-CD1 4.08Å; I193-L201 HydrophobicContact CG2-CD2 4.1Å; I193-L201 HydrophobicContact CG2-CG 4.29Å; Y194-L201 CarbonylContact O-C 3.59Å; Y194-L201 WeakPolarHBondContact O-CA 3.41Å; Y195-L201 HydrophobicContact CD2-CD2 3.81Å; Y195-L201 HydrophobicContact CG-CD2 4.45Å
202	R	91.9	Very high	84.5	Confident	52 Å²	52	27.9 Å²	27.9	20%	0.196	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.5	163.9	-79.3	178.5	164.3	-131.7	-16.4	109.8	E143 I193 Y194 Q196	E143-R202 VanDerWaalsContact CD-NH1 3.32Å; E143-R202 IonicContact OE1-CZ 2.8Å; E143-R202 IonicContact OE1-NH1 2.81Å; E143-R202 PolarHBondContact OE1-NH1 3.03Å; E143-R202 IonicContact OE1-NH2 3.76Å; E143-R202 IonicContact OE2-NH1 3.77Å; I193-R202 WeakPolarHBondContact CA-O 3.04Å; Y194-R202 PolarHBondContact N-O 2.85Å; Y194-R202 PolarHBondContact O-N 3.37Å; Q196-R202 VanDerWaalsContact CD-CD 3.47Å; Q196-R202 HydrophobicContact CG-CG 3.99Å
203	V	93.9	Very high	83.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.5	170.1	179.7	0	0	0	0	108.5	F119 L120 V121 L171 V174 H185 L188 I193	F119-V203 PolarHBondContact O-N 3.47Å; L120-V203 CarbonylContact C-O 3.08Å; L120-V203 WeakPolarHBondContact CA-O 3.46Å; L120-V203 HydrophobicContact CD1-CB 4.16Å; L120-V203 HydrophobicContact CD1-CG1 4.15Å; V121-V203 PolarHBondContact N-O 3.26Å; L171-V203 HydrophobicContact CD2-CG2 3.51Å; V174-V203 HydrophobicContact CB-CG2 4.11Å; V174-V203 HydrophobicContact CG1-CB 4.02Å; V174-V203 HydrophobicContact CG1-CG1 4.17Å; V174-V203 HydrophobicContact CG1-CG2 4.04Å; V174-V203 HydrophobicContact CG2-CB 4.31Å; V174-V203 HydrophobicContact CG2-CG2 3.83Å; H185-V203 WeakPolarHBondContact NE2-CG1 3.47Å; L188-V203 HydrophobicContact CD1-CG1 4.09Å; L188-V203 HydrophobicContact CD1-CG2 4.31Å; I193-V203 HydrophobicContact CG1-CG2 4.42Å
204	G	91.7	Very high	82.7	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.01	20%	0.203	C	C	.	.			trans	-75.9	-149.4	178.9	0	0	0	0	0	113.9	V121 S192	V121-G204 VanDerWaalsContact CG1-C 3.46Å; V121-G204 WeakPolarHBondContact CG1-O 3.39Å; S192-G204 WeakPolarHBondContact O-CA 3.32Å; S192-G204 PolarHBondContact O-N 3.38Å
205	L	87.6	Confident	81.7	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.233	C	C	.	.			trans	-74.5	150.2	179.4	-79.6	172	0	0	0	112.6	I69 N90 V121 F123 F140 T142 H185	I69-L205 HydrophobicContact CD1-CB 3.57Å; I69-L205 VanDerWaalsContact CD1-O 3.32Å; I69-L205 WeakPolarHBondContact CD1-O 3.43Å; I69-L205 HydrophobicContact CG1-CB 4.09Å; N90-L205 WeakPolarHBondContact OD1-CD1 3.47Å; V121-L205 HydrophobicContact CG1-CD2 4.02Å; V121-L205 HydrophobicContact CG1-CG 4.15Å; F123-L205 HydrophobicContact CE1-CD2 3.45Å; F123-L205 VanDerWaalsContact CE1-CD2 3.45Å; F123-L205 HydrophobicContact CE2-CD2 4.45Å; F123-L205 HydrophobicContact CZ-CD2 3.38Å; F140-L205 HydrophobicContact CE2-CD1 3.91Å; F140-L205 HydrophobicContact CE2-CD2 3.75Å; F140-L205 HydrophobicContact CZ-CD1 4.46Å; T142-L205 HydrophobicContact CG2-CD2 3.72Å; T142-L205 HydrophobicContact CG2-CG 4.33Å; H185-L205 PolarHBondContact CE1-O 3.15Å; H185-L205 PolarHBondContact NE2-O 3.47Å
206	F	85.6	Confident	81.2	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.031	23%	0.231	C	C	.	.			trans	-89.2	153.2	176.2	54.2	-99.6	0	0	0	112.3	I69 L108 I109 L112 F123 H185 L208 C211	I69-F206 WeakPolarHBondContact CG2-O 3.32Å; L108-F206 HydrophobicContact CD2-CE2 4.43Å; L108-F206 HydrophobicContact CD2-CZ 4.21Å; I109-F206 HydrophobicContact CG1-CZ 4.42Å; L112-F206 HydrophobicContact CD1-CD1 4.45Å; L112-F206 HydrophobicContact CD1-CE1 3.44Å; L112-F206 VanDerWaalsContact CD1-CE1 3.44Å; L112-F206 HydrophobicContact CD1-CZ 3.94Å; F123-F206 HydrophobicContact CE1-CE1 4.2Å; F123-F206 AromaticContact CE2-CE1 3.94Å; F123-F206 HydrophobicContact CE2-CE1 3.94Å; F123-F206 HydrophobicContact CZ-CD1 4.04Å; F123-F206 AromaticContact CZ-CE1 3.37Å; F123-F206 HydrophobicContact CZ-CE1 3.37Å; F123-F206 HydrophobicContact CZ-CZ 4.11Å; H185-F206 CarbonylContact O-C 3.54Å; H185-F206 WeakPolarHBondContact O-CA 3.35Å; H185-F206 VanDerWaalsContact O-CB 3.23Å; H185-F206 WeakPolarHBondContact O-CB 3.45Å; F206-L208 HydrophobicContact CE2-CD1 3.86Å; F206-L208 PolarHBondContact O-N 2.9Å; F206-C211 HydrophobicContact CD2-CB 3.43Å; F206-C211 VanDerWaalsContact CD2-CB 3.43Å; F206-C211 HydrophobicContact CE2-CB 3.91Å; F206-C211 VanDerWaalsContact CE2-SG 3.55Å; F206-C211 HydrophobicContact CG-CB 4.24Å
207	A	85.5	Confident	81.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.008	23%	0.231	C	C	.	.			trans	-65.5	96.5	173.3	0	0	0	0	0	111.2	H185 N187 G209 R210 C211	H185-A207 PolarHBondContact O-N 3.41Å; N187-A207 HydrophobicContact CB-CB 4.06Å; A207-G209 PolarHBondContact O-N 3.12Å; A207-G209 VanDerWaalsContact O-N 3.14Å; A207-R210 HydrophobicContact CB-CB 4.18Å; A207-R210 HydrophobicContact CB-CG 4.28Å; A207-R210 PolarHBondContact O-N 3.1Å; A207-C211 WeakPolarHBondContact O-CB 3.21Å; A207-C211 PolarHBondContact O-N 3.21Å
208	L	82	Confident	81.8	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.037	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-41.9	-176.9	-169.7	67.2	0	0	0	111.5	C92 Y105 L138 F206 R210 C211	C92-L208 HydrophobicContact CB-CD2 4.24Å; C92-L208 WeakPolarHBondContact SG-CD2 3.4Å; Y105-L208 HydrophobicContact CD1-CD1 3.36Å; Y105-L208 HydrophobicContact CD1-CG 4Å; Y105-L208 HydrophobicContact CD2-CD1 4.15Å; Y105-L208 HydrophobicContact CD2-CD2 4.21Å; Y105-L208 HydrophobicContact CD2-CG 4.13Å; Y105-L208 HydrophobicContact CE1-CD1 3.56Å; Y105-L208 HydrophobicContact CE1-CG 3.77Å; Y105-L208 WeakPolarHBondContact CE1-O 3.07Å; Y105-L208 HydrophobicContact CE2-CD1 4.32Å; Y105-L208 HydrophobicContact CE2-CD2 4.21Å; Y105-L208 HydrophobicContact CE2-CG 3.91Å; Y105-L208 HydrophobicContact CG-CD1 3.68Å; Y105-L208 HydrophobicContact CG-CD2 4.5Å; Y105-L208 HydrophobicContact CG-CG 4.17Å; Y105-L208 PolarHBondContact OH-O 2.85Å; L138-L208 HydrophobicContact CD2-CD2 4.25Å; F206-L208 HydrophobicContact CE2-CD1 3.86Å; F206-L208 PolarHBondContact O-N 2.9Å; L208-R210 PolarHBondContact O-N 3.17Å; L208-C211 PolarHBondContact O-N 3.18Å; L208-C211 PolarHBondContact O-SG 2.88Å
209	G	73.6	Confident	82.6	Confident	38 Å²	38	39.8 Å²	39.8	39%	0.392	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.8	177.1	0	0	0	0	0	115	A207	A207-G209 PolarHBondContact O-N 3.12Å; A207-G209 VanDerWaalsContact O-N 3.14Å
210	R	75.2	Confident	83.2	Confident	73 Å²	73	39.3 Å²	39.3	28%	0.275	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-20.4	-173.2	-56.7	-179	-170.3	-156.8	-0.1	113.8	E70 A207 L208 L212 D213	E70-R210 IonicContact OE1-CZ 2.65Å; E70-R210 IonicContact OE1-NE 3.6Å; E70-R210 PolarHBondContact OE1-NE 3.48Å; E70-R210 VanDerWaalsContact OE1-NE 3.09Å; E70-R210 IonicContact OE1-NH2 3.08Å; E70-R210 PolarHBondContact OE1-NH2 2.81Å; E70-R210 IonicContact OE2-CZ 2.69Å; E70-R210 IonicContact OE2-NE 2.73Å; E70-R210 IonicContact OE2-NH2 2.71Å; E70-R210 PolarHBondContact OE2-NH2 3.39Å; E70-R210 VanDerWaalsContact OE2-NH2 3.11Å; A207-R210 HydrophobicContact CB-CB 4.18Å; A207-R210 HydrophobicContact CB-CG 4.28Å; A207-R210 PolarHBondContact O-N 3.1Å; L208-R210 PolarHBondContact O-N 3.17Å; R210-L212 PolarHBondContact O-N 3Å; R210-D213 PolarHBondContact O-N 3.48Å
211	C	78.5	Confident	83.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.7	-164.1	79.7	0	0	0	0	116.3	V183 A184 F206 A207 L208	V183-C211 VanDerWaalsContact CA-O 3.29Å; V183-C211 WeakPolarHBondContact CA-O 3.35Å; V183-C211 HydrophobicContact CG1-CB 4Å; A184-C211 PolarHBondContact N-O 2.77Å; A184-C211 VanDerWaalsContact O-CA 3.27Å; A184-C211 WeakPolarHBondContact O-CA 3.18Å; A184-C211 WeakPolarHBondContact O-CB 3.5Å; F206-C211 HydrophobicContact CD2-CB 3.43Å; F206-C211 VanDerWaalsContact CD2-CB 3.43Å; F206-C211 HydrophobicContact CE2-CB 3.91Å; F206-C211 VanDerWaalsContact CE2-SG 3.55Å; F206-C211 HydrophobicContact CG-CB 4.24Å; A207-C211 WeakPolarHBondContact O-CB 3.21Å; A207-C211 PolarHBondContact O-N 3.21Å; L208-C211 PolarHBondContact O-N 3.18Å; L208-C211 PolarHBondContact O-SG 2.88Å
212	L	78.8	Confident	83.7	Confident	68 Å²	68	41.3 Å²	41.3	36%	0.356	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	6.3	177.2	-62.5	178.5	0	0	0	113.5	R104 Y105 L108 R210	R104-L212 HydrophobicContact CB-CD1 3.72Å; Y105-L212 HydrophobicContact CD1-CD1 3.73Å; Y105-L212 HydrophobicContact CD1-CG 4.26Å; Y105-L212 HydrophobicContact CE1-CD1 3.61Å; Y105-L212 HydrophobicContact CE1-CG 3.97Å; L108-L212 HydrophobicContact CD2-CD2 4.13Å; R210-L212 PolarHBondContact O-N 3Å
213	D	77.3	Confident	83.7	Confident	77 Å²	77	39.4 Å²	39.4	41%	0.412	20%	0.201	S	C	.	.			trans	-98.2	120.9	174.5	-176.8	4.5	0	0	0	111.1	R210 K215 S216	R210-D213 PolarHBondContact O-N 3.48Å; D213-K215 PolarHBondContact O-N 2.97Å; D213-K215 WeakPolarHBondContact OD1-CB 3.43Å; D213-K215 PolarHBondContact OD1-N 3.2Å; D213-S216 VanDerWaalsContact O-CB 3.3Å; D213-S216 WeakPolarHBondContact O-CB 3.38Å; D213-S216 PolarHBondContact O-N 3.28Å
214	Q	69.8	Low	83.8	Confident	153 Å²	153	39.3 Å²	39.3	72%	0.715	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.4	176.7	-68.1	176.2	-0.4	0	0	112.9	S216 E217	Q214-S216 PolarHBondContact O-N 2.96Å; Q214-E217 WeakPolarHBondContact O-CB 3.39Å; Q214-E217 PolarHBondContact O-N 3.16Å
215	K	72	Confident	83.9	Confident	166 Å²	166	39.3 Å²	39.3	72%	0.722	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.2	172.1	-62.3	178.8	178	-178.8	0	112.1	D213 E217 A218	D213-K215 PolarHBondContact O-N 2.97Å; D213-K215 WeakPolarHBondContact OD1-CB 3.43Å; D213-K215 PolarHBondContact OD1-N 3.2Å; K215-E217 PolarHBondContact O-N 3.01Å; K215-A218 WeakPolarHBondContact O-CB 3.37Å; K215-A218 PolarHBondContact O-N 3.19Å; K215-A218 VanDerWaalsContact O-N 3.14Å
216	S	80.6	Confident	84.1	Confident	12 Å²	12	40 Å²	40	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-72.9	-13.3	176.8	-61.9	0	0	0	0	112.7	D213 Q214 A218 F219 D220	D213-S216 VanDerWaalsContact O-CB 3.3Å; D213-S216 WeakPolarHBondContact O-CB 3.38Å; D213-S216 PolarHBondContact O-N 3.28Å; Q214-S216 PolarHBondContact O-N 2.96Å; S216-A218 PolarHBondContact O-N 2.9Å; S216-F219 WeakPolarHBondContact O-CB 3.42Å; S216-F219 PolarHBondContact O-N 2.89Å; S216-D220 PolarHBondContact O-N 2.99Å
217	E	87	Confident	84.4	Confident	21 Å²	21	39.8 Å²	39.8	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-34.6	166.4	-65.7	-175.3	-179.1	0	0	111.6	H179 Q214 K215 V221 T275	H179-E217 VanDerWaalsContact CE1-CA 3.48Å; H179-E217 WeakPolarHBondContact CE1-CA 3.28Å; H179-E217 VanDerWaalsContact CE1-CB 3.5Å; H179-E217 WeakPolarHBondContact CE1-CB 3.38Å; H179-E217 PolarHBondContact CE1-O 3.13Å; Q214-E217 WeakPolarHBondContact O-CB 3.39Å; Q214-E217 PolarHBondContact O-N 3.16Å; K215-E217 PolarHBondContact O-N 3.01Å; E217-V221 WeakPolarHBondContact O-CG2 3.26Å; E217-V221 PolarHBondContact O-N 3.15Å; E217-T275 HydrophobicContact CB-CG2 3.89Å; E217-T275 WeakPolarHBondContact OE2-CB 3.11Å; E217-T275 PolarHBondContact OE2-OG1 2.99Å
218	A	84.9	Confident	84.8	Confident	49 Å²	49	39.7 Å²	39.7	41%	0.405	20%	0.204	S	C	.	.	H	α-helix	trans	-73.8	-38.1	177.4	0	0	0	0	0	111.2	K215 S216 D220 V221 Y222 T275	K215-A218 WeakPolarHBondContact O-CB 3.37Å; K215-A218 PolarHBondContact O-N 3.19Å; K215-A218 VanDerWaalsContact O-N 3.14Å; S216-A218 PolarHBondContact O-N 2.9Å; A218-D220 VanDerWaalsContact C-N 3.33Å; A218-V221 PolarHBondContact O-N 3.26Å; A218-Y222 PolarHBondContact O-N 3.35Å; A218-T275 HydrophobicContact CB-CG2 3.6Å
219	F	86.8	Confident	85.2	Confident	78 Å²	78	39.4 Å²	39.4	34%	0.342	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-43.7	172.5	-176.3	-94.7	0	0	0	111.1	G186 S216 V221 Y222 S223	G186-F219 WeakPolarHBondContact O-CE1 3.15Å; S216-F219 WeakPolarHBondContact O-CB 3.42Å; S216-F219 PolarHBondContact O-N 2.89Å; F219-V221 PolarHBondContact O-N 3.28Å; F219-Y222 PolarHBondContact O-N 2.76Å; F219-S223 WeakPolarHBondContact O-CB 3.41Å; F219-S223 PolarHBondContact O-N 2.98Å; F219-S223 PolarHBondContact O-OG 2.92Å; F219-S223 VanDerWaalsContact O-OG 3.05Å
220	D	91.7	Very high	86	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-40	175.8	-72	-19.1	0	0	0	113.5	L175 H179 A184 H185 G186 S216 A218 S223 L224	L175-D220 HydrophobicContact CD1-CB 4.03Å; L175-D220 HydrophobicContact CD2-CB 3.79Å; H179-D220 IonicContact CD2-OD2 3.7Å; H179-D220 IonicContact CE1-OD2 3.11Å; H179-D220 IonicContact NE2-OD2 3.4Å; H179-D220 PolarHBondContact NE2-OD2 3.45Å; A184-D220 VanDerWaalsContact CA-OD2 3.26Å; A184-D220 WeakPolarHBondContact CA-OD2 3.34Å; H185-D220 WeakPolarHBondContact CB-OD1 3.46Å; H185-D220 PolarHBondContact N-OD1 2.7Å; H185-D220 PolarHBondContact N-OD2 2.82Å; G186-D220 PolarHBondContact N-OD1 3.26Å; S216-D220 PolarHBondContact O-N 2.99Å; A218-D220 VanDerWaalsContact C-N 3.33Å; D220-S223 PolarHBondContact O-N 2.86Å; D220-L224 WeakPolarHBondContact O-CB 3.27Å; D220-L224 PolarHBondContact O-N 3.46Å
221	V	91.2	Very high	86.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-71.9	-38.8	178.7	177.6	0	0	0	0	111.3	E217 A218 F219 L224 G225 C268 L278 I279 L282	E217-V221 WeakPolarHBondContact O-CG2 3.26Å; E217-V221 PolarHBondContact O-N 3.15Å; A218-V221 PolarHBondContact O-N 3.26Å; F219-V221 PolarHBondContact O-N 3.28Å; V221-L224 WeakPolarHBondContact O-CB 3.06Å; V221-L224 PolarHBondContact O-N 2.87Å; V221-G225 PolarHBondContact O-N 3.06Å; V221-C268 HydrophobicContact CG1-CB 4.31Å; V221-L278 HydrophobicContact CG1-CD2 3.65Å; V221-L278 HydrophobicContact CG1-CG 4.11Å; V221-I279 HydrophobicContact CG2-CD1 3.84Å; V221-I279 HydrophobicContact CG2-CG1 3.63Å; V221-L282 HydrophobicContact CG1-CD1 3.73Å
222	Y	91.7	Very high	87.1	Confident	58 Å²	58	36 Å²	36	23%	0.227	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-48.1	170.6	-179.6	-84.9	0	0	0	110.8	A218 F219 L224 G225 V226 L245 F269	A218-Y222 PolarHBondContact O-N 3.35Å; F219-Y222 PolarHBondContact O-N 2.76Å; Y222-L224 VanDerWaalsContact C-N 3.33Å; Y222-L224 PolarHBondContact O-N 3.39Å; Y222-G225 WeakPolarHBondContact O-CA 3.41Å; Y222-G225 PolarHBondContact O-N 2.87Å; Y222-V226 HydrophobicContact CD1-CG2 4.1Å; Y222-V226 HydrophobicContact CE1-CG2 3.7Å; Y222-V226 PolarHBondContact O-N 2.97Å; Y222-L245 HydrophobicContact CE1-CD2 4.06Å; Y222-F269 AromaticContact CD2-CD1 3.49Å; Y222-F269 HydrophobicContact CD2-CD1 3.49Å; Y222-F269 VanDerWaalsContact CD2-CD1 3.49Å; Y222-F269 AromaticContact CD2-CE1 3.93Å; Y222-F269 HydrophobicContact CD2-CE1 3.93Å; Y222-F269 HydrophobicContact CE1-CE1 4.46Å; Y222-F269 AromaticContact CE2-CD1 3.55Å; Y222-F269 HydrophobicContact CE2-CD1 3.55Å; Y222-F269 AromaticContact CE2-CE1 3.83Å; Y222-F269 HydrophobicContact CE2-CE1 3.83Å; Y222-F269 HydrophobicContact CE2-CG 4.49Å; Y222-F269 HydrophobicContact CG-CD1 4.17Å; Y222-F269 HydrophobicContact CG-CE1 4.27Å; Y222-F269 WeakPolarHBondContact O-CE1 3.43Å
223	S	93.1	Very high	87.2	Confident	11 Å²	11	33.6 Å²	33.6	8%	0.077	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-37.8	176.2	-68.3	0	0	0	0	112.8	L188 F219 D220 G225 V226 V227	L188-S223 WeakPolarHBondContact O-CB 3.43Å; F219-S223 WeakPolarHBondContact O-CB 3.41Å; F219-S223 PolarHBondContact O-N 2.98Å; F219-S223 PolarHBondContact O-OG 2.92Å; F219-S223 VanDerWaalsContact O-OG 3.05Å; D220-S223 PolarHBondContact O-N 2.86Å; S223-G225 VanDerWaalsContact C-N 3.3Å; S223-G225 PolarHBondContact O-N 2.89Å; S223-V226 PolarHBondContact O-N 3.48Å; S223-V227 WeakPolarHBondContact O-CG2 3.2Å; S223-V227 PolarHBondContact O-N 2.99Å
224	L	94.5	Very high	86.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-40.6	170.9	179	69.1	0	0	0	110.9	V168 L171 L172 L175 L188 D220 V221 Y222 V227 S228 F264	V168-L224 HydrophobicContact CG1-CD1 4.49Å; L171-L224 HydrophobicContact CB-CD1 3.59Å; L171-L224 HydrophobicContact CD1-CD1 4.06Å; L171-L224 HydrophobicContact CG-CD1 4.5Å; L172-L224 HydrophobicContact CB-CD2 4.32Å; L172-L224 HydrophobicContact CD1-CD2 3.73Å; L175-L224 HydrophobicContact CD1-CB 4.06Å; L175-L224 HydrophobicContact CD1-CD2 4.24Å; L188-L224 HydrophobicContact CD2-CB 4.14Å; D220-L224 WeakPolarHBondContact O-CB 3.27Å; D220-L224 PolarHBondContact O-N 3.46Å; V221-L224 WeakPolarHBondContact O-CB 3.06Å; V221-L224 PolarHBondContact O-N 2.87Å; Y222-L224 VanDerWaalsContact C-N 3.33Å; Y222-L224 PolarHBondContact O-N 3.39Å; L224-V227 PolarHBondContact O-N 3.01Å; L224-S228 WeakPolarHBondContact O-CB 3.46Å; L224-S228 PolarHBondContact O-N 2.77Å; L224-S228 PolarHBondContact O-OG 3.47Å; L224-F264 HydrophobicContact CD2-CE1 4.49Å; L224-F264 HydrophobicContact CD2-CZ 4.26Å
225	G	93.8	Very high	86.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.7	-47.4	172.9	0	0	0	0	0	112.4	V221 Y222 S223 L229 C268	V221-G225 PolarHBondContact O-N 3.06Å; Y222-G225 WeakPolarHBondContact O-CA 3.41Å; Y222-G225 PolarHBondContact O-N 2.87Å; S223-G225 VanDerWaalsContact C-N 3.3Å; S223-G225 PolarHBondContact O-N 2.89Å; G225-L229 VanDerWaalsContact O-CB 3.29Å; G225-L229 WeakPolarHBondContact O-CB 3.49Å; G225-L229 PolarHBondContact O-N 3.21Å; G225-C268 VanDerWaalsContact CA-CB 3.5Å
226	V	92.4	Very high	86	Confident	20 Å²	20	23.3 Å²	23.3	12%	0.121	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-53.2	176	-178.4	0	0	0	0	111.2	Y222 S223 S228 L229 E230 L245 F269	Y222-V226 HydrophobicContact CD1-CG2 4.1Å; Y222-V226 HydrophobicContact CE1-CG2 3.7Å; Y222-V226 PolarHBondContact O-N 2.97Å; S223-V226 PolarHBondContact O-N 3.48Å; V226-S228 VanDerWaalsContact C-N 3.33Å; V226-S228 PolarHBondContact O-N 2.9Å; V226-L229 CarbonylContact O-C 3.57Å; V226-L229 WeakPolarHBondContact O-CA 3.34Å; V226-L229 WeakPolarHBondContact O-CB 3.26Å; V226-L229 PolarHBondContact O-N 2.75Å; V226-L229 VanDerWaalsContact O-N 3.07Å; V226-E230 HydrophobicContact CG1-CG 4.49Å; V226-E230 WeakPolarHBondContact O-CG 3.31Å; V226-E230 PolarHBondContact O-N 3.2Å; V226-L245 HydrophobicContact CG1-CD1 4.33Å; V226-F269 HydrophobicContact CG2-CE1 3.94Å; V226-F269 HydrophobicContact CG2-CZ 4.11Å
227	V	92.8	Very high	84.8	Confident	2 Å²	2	29 Å²	29	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-36.3	-178.3	173.7	0	0	0	0	111.8	L150 L171 I193 S223 L224 L229 E230 I231	L150-V227 HydrophobicContact CD2-CG1 4.01Å; L171-V227 HydrophobicContact CD1-CG1 3.66Å; I193-V227 HydrophobicContact CD1-CG1 3.77Å; I193-V227 HydrophobicContact CD1-CG2 4.33Å; S223-V227 WeakPolarHBondContact O-CG2 3.2Å; S223-V227 PolarHBondContact O-N 2.99Å; L224-V227 PolarHBondContact O-N 3.01Å; V227-L229 VanDerWaalsContact C-N 3.28Å; V227-L229 PolarHBondContact O-N 3.18Å; V227-E230 PolarHBondContact O-N 2.98Å; V227-I231 HydrophobicContact CG1-CD1 3.88Å; V227-I231 HydrophobicContact CG1-CG1 4.4Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.26Å; V227-I231 PolarHBondContact O-N 2.71Å
228	S	93.3	Very high	83.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-34.1	174.5	-57.3	0	0	0	0	112	W164 V168 L224 V226 A232	W164-S228 PolarHBondContact NE1-O 3.02Å; V168-S228 WeakPolarHBondContact CG2-OG 3.32Å; L224-S228 WeakPolarHBondContact O-CB 3.46Å; L224-S228 PolarHBondContact O-N 2.77Å; L224-S228 PolarHBondContact O-OG 3.47Å; V226-S228 VanDerWaalsContact C-N 3.33Å; V226-S228 PolarHBondContact O-N 2.9Å; S228-A232 PolarHBondContact O-N 2.71Å
229	L	91.2	Very high	82.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-75.4	-36.8	176.5	-175	60.4	0	0	0	111.8	G225 V226 V227 A232 V233 C249 M252 I253 L256 I265 F269	G225-L229 VanDerWaalsContact O-CB 3.29Å; G225-L229 WeakPolarHBondContact O-CB 3.49Å; G225-L229 PolarHBondContact O-N 3.21Å; V226-L229 CarbonylContact O-C 3.57Å; V226-L229 WeakPolarHBondContact O-CA 3.34Å; V226-L229 WeakPolarHBondContact O-CB 3.26Å; V226-L229 PolarHBondContact O-N 2.75Å; V226-L229 VanDerWaalsContact O-N 3.07Å; V227-L229 VanDerWaalsContact C-N 3.28Å; V227-L229 PolarHBondContact O-N 3.18Å; L229-A232 PolarHBondContact O-N 3.3Å; L229-V233 HydrophobicContact CD1-CG2 4.07Å; L229-V233 PolarHBondContact O-N 3.21Å; L229-V233 VanDerWaalsContact O-N 3.08Å; L229-C249 HydrophobicContact CD2-CB 3.9Å; L229-M252 HydrophobicContact CD1-CB 3.74Å; L229-M252 HydrophobicContact CD2-CB 3.78Å; L229-M252 HydrophobicContact CD2-SD 4.44Å; L229-M252 HydrophobicContact CG-CB 3.66Å; L229-M252 HydrophobicContact CG-CE 4.13Å; L229-M252 HydrophobicContact CG-SD 4.29Å; L229-I253 HydrophobicContact CD1-CG1 4Å; L229-I253 HydrophobicContact CD2-CD1 4.48Å; L229-I253 HydrophobicContact CD2-CG1 3.93Å; L229-L256 HydrophobicContact CD1-CD1 3.81Å; L229-L256 HydrophobicContact CD1-CD2 4.43Å; L229-L256 HydrophobicContact CD1-CG 4.19Å; L229-I265 HydrophobicContact CB-CD1 4.07Å; L229-I265 HydrophobicContact CB-CG2 4.22Å; L229-I265 HydrophobicContact CD1-CD1 4.04Å; L229-I265 HydrophobicContact CD1-CG2 4.38Å; L229-I265 HydrophobicContact CD2-CG2 4.32Å; L229-F269 HydrophobicContact CD2-CE2 4.35Å
230	E	89.4	Confident	81.1	Confident	20 Å²	20	31.7 Å²	31.7	9%	0.093	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-52.5	168.5	-67.2	-177	138.7	0	0	110.7	L154 K190 V226 V227 A232 V233 W234 M252	L154-E230 HydrophobicContact CD1-CB 4.49Å; K190-E230 WeakPolarHBondContact CD-OE2 3.19Å; K190-E230 WeakPolarHBondContact CE-OE1 3.11Å; K190-E230 WeakPolarHBondContact CG-OE2 3.16Å; K190-E230 IonicContact NZ-OE1 4Å; K190-E230 PolarHBondContact NZ-OE1 3.24Å; K190-E230 IonicContact NZ-OE2 3.98Å; V226-E230 HydrophobicContact CG1-CG 4.49Å; V226-E230 WeakPolarHBondContact O-CG 3.31Å; V226-E230 PolarHBondContact O-N 3.2Å; V227-E230 PolarHBondContact O-N 2.98Å; E230-A232 PolarHBondContact O-N 3.15Å; E230-V233 PolarHBondContact O-N 3.45Å; E230-W234 HydrophobicContact CB-CE3 4.07Å; E230-W234 HydrophobicContact CG-CE3 3.87Å; E230-W234 HydrophobicContact CG-CZ3 4.14Å; E230-W234 WeakPolarHBondContact O-CA 3.21Å; E230-W234 WeakPolarHBondContact O-CB 3.48Å; E230-W234 PolarHBondContact O-N 3.49Å; E230-W234 WeakPolarHBondContact OE1-CZ3 3.22Å; E230-M252 HydrophobicContact CG-CE 4.27Å
231	I	89.3	Confident	79.7	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-29.1	179.8	-65.2	162.5	0	0	0	112.6	L150 L154 H167 L171 V227	L150-I231 HydrophobicContact CD1-CG1 4.49Å; L150-I231 HydrophobicContact CD2-CD1 4.03Å; L150-I231 HydrophobicContact CD2-CG1 4Å; L154-I231 HydrophobicContact CD1-CG1 4.49Å; H167-I231 HydrophobicContact CB-CD1 4.22Å; L171-I231 HydrophobicContact CD1-CD1 4.28Å; V227-I231 HydrophobicContact CG1-CD1 3.88Å; V227-I231 HydrophobicContact CG1-CG1 4.4Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.26Å; V227-I231 PolarHBondContact O-N 2.71Å
232	A	88.2	Confident	78.3	Confident	13 Å²	13	43.6 Å²	43.6	11%	0.107	25%	0.246	C	C	.	.	H	α-helix	trans	-87.1	-28.8	179.9	0	0	0	0	0	115.6	N161 S228 L229 E230 L256	N161-A232 PolarHBondContact ND2-O 3.35Å; N161-A232 WeakPolarHBondContact OD1-CA 3.22Å; N161-A232 PolarHBondContact OD1-O 3.01Å; S228-A232 PolarHBondContact O-N 2.71Å; L229-A232 PolarHBondContact O-N 3.3Å; E230-A232 PolarHBondContact O-N 3.15Å; A232-L256 HydrophobicContact CB-CD2 3.68Å
233	V	80.9	Confident	77.2	Confident	18 Å²	18	42 Å²	42	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-135.9	5.8	-165.3	-156.9	0	0	0	0	113.3	L229 E230 T235 M252 R255 L256	L229-V233 HydrophobicContact CD1-CG2 4.07Å; L229-V233 PolarHBondContact O-N 3.21Å; L229-V233 VanDerWaalsContact O-N 3.08Å; E230-V233 PolarHBondContact O-N 3.45Å; V233-T235 PolarHBondContact O-N 3.06Å; V233-T235 VanDerWaalsContact O-N 3.16Å; V233-T235 PolarHBondContact O-OG1 3.2Å; V233-M252 HydrophobicContact CB-CB 4.48Å; V233-M252 HydrophobicContact CB-CE 4.14Å; V233-R255 HydrophobicContact CG1-CB 3.89Å; V233-R255 HydrophobicContact CG1-CG 4.47Å; V233-L256 HydrophobicContact CG2-CD2 3.51Å; V233-L256 HydrophobicContact CG2-CG 4.16Å
234	W	70	Confident	76.7	Confident	68 Å²	68	45.6 Å²	45.6	26%	0.258	26%	0.262	S	S	.	.			trans	-57	123.3	-174.7	-172.3	-99	0	0	0	112.5	L154 K190 E230	L154-W234 HydrophobicContact CB-CB 4.17Å; L154-W234 HydrophobicContact CB-CG 3.84Å; L154-W234 HydrophobicContact CD1-CB 4.2Å; L154-W234 HydrophobicContact CD1-CG 4.31Å; L154-W234 HydrophobicContact CD2-CB 4.44Å; L154-W234 VanDerWaalsContact O-CD1 3.27Å; K190-W234 HydrophobicContact CD-CE3 4.32Å; K190-W234 HydrophobicContact CD-CH2 4.3Å; K190-W234 HydrophobicContact CD-CZ3 4.15Å; E230-W234 HydrophobicContact CB-CE3 4.07Å; E230-W234 HydrophobicContact CG-CE3 3.87Å; E230-W234 HydrophobicContact CG-CZ3 4.14Å; E230-W234 WeakPolarHBondContact O-CA 3.21Å; E230-W234 WeakPolarHBondContact O-CB 3.48Å; E230-W234 PolarHBondContact O-N 3.49Å; E230-W234 WeakPolarHBondContact OE1-CZ3 3.22Å
235	T	63	Low	76.1	Confident	37 Å²	37	48.5 Å²	48.5	23%	0.227	28%	0.277	C	S	.	.			trans	-145.6	102.2	-179.4	27.9	0	0	0	0	106.4	V233 T237 E238 F239	V233-T235 PolarHBondContact O-N 3.06Å; V233-T235 VanDerWaalsContact O-N 3.16Å; V233-T235 PolarHBondContact O-OG1 3.2Å; T235-T237 PolarHBondContact O-N 3.34Å; T235-E238 WeakPolarHBondContact CG2-OE1 3.44Å; T235-E238 PolarHBondContact O-N 2.55Å; T235-F239 WeakPolarHBondContact OG1-CE2 3.26Å
236	P	60.5	Low	75.6	Confident	76 Å²	76	51.3 Å²	51.3	49%	0.494	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.3	-169.3	-26	31.4	0	0	0	115.5	C155	C155-P236 HydrophobicContact CB-CG 4.45Å
237	T	54.9	Low	75.2	Confident	130 Å²	130	54.8 Å²	54.8	80%	0.798	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-9.7	-169.3	47.5	0	0	0	0	114.5	T235	T235-T237 PolarHBondContact O-N 3.34Å
238	E	58.5	Low	74.8	Confident	94 Å²	94	56.8 Å²	56.8	44%	0.439	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-13.5	-166.5	-65.1	-166.8	-128.3	0	0	114.9	T235 R255	T235-E238 WeakPolarHBondContact CG2-OE1 3.44Å; T235-E238 PolarHBondContact O-N 2.55Å; E238-R255 IonicContact OE1-NH1 3.94Å; E238-R255 IonicContact OE2-CZ 3.76Å; E238-R255 IonicContact OE2-NH1 2.76Å; E238-R255 PolarHBondContact OE2-NH1 3.08Å; E238-R255 IonicContact OE2-NH2 2.68Å; E238-R255 PolarHBondContact OE2-NH2 3.27Å
239	F	62.1	Low	74.5	Confident	27 Å²	27	57 Å²	57	12%	0.118	32%	0.318	C	S	.	.	S	Bend	trans	-123.7	107.4	-180	-62.3	-71.9	0	0	0	110.5	T235 S241 R248 Q251 M252	T235-F239 WeakPolarHBondContact OG1-CE2 3.26Å; F239-S241 PolarHBondContact O-N 3.31Å; F239-R248 HydrophobicContact CB-CG 4.06Å; F239-R248 HydrophobicContact CD1-CG 4.27Å; F239-R248 HydrophobicContact CG-CG 4.28Å; F239-Q251 HydrophobicContact CD1-CB 4.36Å; F239-Q251 HydrophobicContact CE1-CB 3.83Å; F239-M252 HydrophobicContact CD1-CG 4.12Å; F239-M252 HydrophobicContact CD2-CG 4.06Å; F239-M252 HydrophobicContact CD2-SD 4.47Å; F239-M252 HydrophobicContact CE1-CG 3.65Å; F239-M252 HydrophobicContact CE2-CG 3.57Å; F239-M252 HydrophobicContact CE2-SD 4.45Å; F239-M252 HydrophobicContact CG-CG 4.31Å; F239-M252 HydrophobicContact CZ-CB 4.26Å; F239-M252 HydrophobicContact CZ-CG 3.34Å
240	P	59.6	Low	74.3	Confident	84 Å²	84	63.1 Å²	63.1	55%	0.545	35%	0.347	S	S	.	.			trans	-55.3	135.4	177.6	-26.9	35.3	0	0	0	112	N242 S243 R248	P240-N242 PolarHBondContact O-N 2.87Å; P240-N242 VanDerWaalsContact O-N 3.14Å; P240-S243 PolarHBondContact O-N 2.8Å; P240-S243 PolarHBondContact O-OG 3.49Å; P240-R248 PolarHBondContact O-NE 2.76Å; P240-R248 PolarHBondContact O-NH2 2.74Å
241	S	62.7	Low	74.1	Confident	101 Å²	101	65.2 Å²	65.2	71%	0.706	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.3	172	47.3	0	0	0	0	113.1	F239 R248	F239-S241 PolarHBondContact O-N 3.31Å; S241-R248 VanDerWaalsContact C-NH2 3.3Å; S241-R248 PolarHBondContact O-NH2 2.85Å
242	N	63.3	Low	74	Confident	150 Å²	150	65.3 Å²	65.3	80%	0.802	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.1	-169.6	-56.1	7.5	0	0	0	113.6	P240	P240-N242 PolarHBondContact O-N 2.87Å; P240-N242 VanDerWaalsContact O-N 3.14Å
243	S	67.3	Low	74.1	Confident	26 Å²	26	65.7 Å²	65.7	18%	0.182	36%	0.357	C	S	.	.	S	Bend	trans	-76.5	158.3	168.8	57.2	0	0	0	0	111.6	P240 R248	P240-S243 PolarHBondContact O-N 2.8Å; P240-S243 PolarHBondContact O-OG 3.49Å; S243-R248 PolarHBondContact O-NH2 2.8Å; S243-R248 PolarHBondContact OG-NH2 3.24Å
244	D	82.1	Confident	74.4	Confident	85 Å²	85	69.2 Å²	69.2	46%	0.455	38%	0.382	S	S	.	.			trans	-62.2	146.1	171.1	176	45.1	0	0	0	110.7	T246 E247 R248	D244-T246 VanDerWaalsContact C-N 3.26Å; D244-T246 PolarHBondContact O-N 3.49Å; D244-T246 WeakPolarHBondContact OD2-CA 3.47Å; D244-T246 WeakPolarHBondContact OD2-CB 3.37Å; D244-T246 PolarHBondContact OD2-N 3.28Å; D244-T246 PolarHBondContact OD2-OG1 2.8Å; D244-E247 HydrophobicContact CB-CB 4.37Å; D244-E247 PolarHBondContact O-N 2.87Å; D244-R248 PolarHBondContact O-N 3.19Å
245	L	82.4	Confident	75.1	Confident	61 Å²	61	70.8 Å²	70.8	32%	0.319	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-37	178.9	-177.7	61.1	0	0	0	111.5	Y222 V226 R248 C249	Y222-L245 HydrophobicContact CE1-CD2 4.06Å; V226-L245 HydrophobicContact CG1-CD1 4.33Å; L245-R248 PolarHBondContact O-N 3.28Å; L245-C249 WeakPolarHBondContact O-CB 3.03Å; L245-C249 PolarHBondContact O-N 2.73Å; L245-C249 PolarHBondContact O-SG 2.81Å
246	T	84	Confident	76.2	Confident	59 Å²	59	69.8 Å²	69.8	36%	0.362	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-44.4	177.3	-33.4	0	0	0	0	111.1	D244 C249 Q250	D244-T246 VanDerWaalsContact C-N 3.26Å; D244-T246 PolarHBondContact O-N 3.49Å; D244-T246 WeakPolarHBondContact OD2-CA 3.47Å; D244-T246 WeakPolarHBondContact OD2-CB 3.37Å; D244-T246 PolarHBondContact OD2-N 3.28Å; D244-T246 PolarHBondContact OD2-OG1 2.8Å; T246-C249 PolarHBondContact O-N 3.04Å; T246-Q250 WeakPolarHBondContact O-CG 3.41Å; T246-Q250 PolarHBondContact O-N 2.59Å
247	E	83.7	Confident	77.4	Confident	94 Å²	94	73.8 Å²	73.8	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-64.3	-47.1	177.6	-164	-165.5	167.7	0	0	110.9	D244 C249 Q250 Q251	D244-E247 HydrophobicContact CB-CB 4.37Å; D244-E247 PolarHBondContact O-N 2.87Å; E247-C249 VanDerWaalsContact C-N 3.31Å; E247-C249 PolarHBondContact O-N 3.12Å; E247-Q250 PolarHBondContact O-N 3.34Å; E247-Q250 VanDerWaalsContact O-N 3.12Å; E247-Q251 WeakPolarHBondContact O-CG 3.4Å; E247-Q251 PolarHBondContact O-N 3.43Å; E247-Q251 PolarHBondContact OE1-NE2 3.06Å
248	R	84.3	Confident	78.9	Confident	43 Å²	43	70.8 Å²	70.8	16%	0.162	38%	0.378	C	S	.	.	H	α-helix	trans	-56	-45.7	175.9	-170.1	-178.8	-59	102	12.8	111.5	F239 P240 S241 S243 D244 L245 Q250 Q251 M252	F239-R248 HydrophobicContact CB-CG 4.06Å; F239-R248 HydrophobicContact CD1-CG 4.27Å; F239-R248 HydrophobicContact CG-CG 4.28Å; P240-R248 PolarHBondContact O-NE 2.76Å; P240-R248 PolarHBondContact O-NH2 2.74Å; S241-R248 VanDerWaalsContact C-NH2 3.3Å; S241-R248 PolarHBondContact O-NH2 2.85Å; S243-R248 PolarHBondContact O-NH2 2.8Å; S243-R248 PolarHBondContact OG-NH2 3.24Å; D244-R248 PolarHBondContact O-N 3.19Å; L245-R248 PolarHBondContact O-N 3.28Å; R248-Q250 PolarHBondContact O-N 2.93Å; R248-Q251 PolarHBondContact O-N 3.22Å; R248-M252 HydrophobicContact CG-SD 3.99Å; R248-M252 WeakPolarHBondContact O-CB 3.49Å; R248-M252 VanDerWaalsContact O-CG 3.29Å; R248-M252 WeakPolarHBondContact O-CG 3.17Å; R248-M252 PolarHBondContact O-N 3.27Å
249	C	87.4	Confident	80.4	Confident	6 Å²	6	72.3 Å²	72.3	4%	0.041	39%	0.389	C	S	.	.	H	α-helix	trans	-62.4	-42.8	176.6	-68.5	0	0	0	0	112	L229 L245 T246 E247 M252 I253 F269	L229-C249 HydrophobicContact CD2-CB 3.9Å; L245-C249 WeakPolarHBondContact O-CB 3.03Å; L245-C249 PolarHBondContact O-N 2.73Å; L245-C249 PolarHBondContact O-SG 2.81Å; T246-C249 PolarHBondContact O-N 3.04Å; E247-C249 VanDerWaalsContact C-N 3.31Å; E247-C249 PolarHBondContact O-N 3.12Å; C249-M252 PolarHBondContact O-N 2.65Å; C249-I253 WeakPolarHBondContact O-CB 3.48Å; C249-I253 WeakPolarHBondContact O-CD1 3.47Å; C249-I253 WeakPolarHBondContact O-CG1 3.5Å; C249-I253 PolarHBondContact O-N 2.93Å; C249-F269 HydrophobicContact CB-CE2 4.28Å; C249-F269 HydrophobicContact CB-CZ 4.33Å
250	Q	87.2	Confident	81.7	Confident	128 Å²	128	74.8 Å²	74.8	60%	0.598	40%	0.404	S	S	*	.	H	α-helix	trans	-63.1	-42.6	176.3	-71.5	174.1	16.8	0	0	112.2	T246 E247 R248 I253 S254	T246-Q250 WeakPolarHBondContact O-CG 3.41Å; T246-Q250 PolarHBondContact O-N 2.59Å; E247-Q250 PolarHBondContact O-N 3.34Å; E247-Q250 VanDerWaalsContact O-N 3.12Å; R248-Q250 PolarHBondContact O-N 2.93Å; Q250-I253 PolarHBondContact O-N 2.76Å; Q250-S254 PolarHBondContact O-N 2.86Å; Q250-S254 VanDerWaalsContact O-N 3.09Å
251	Q	85	Confident	83.2	Confident	64 Å²	64	71.6 Å²	71.6	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.8	-65.8	174.1	7.6	0	0	111.4	F239 E247 R248 S254	F239-Q251 HydrophobicContact CD1-CB 4.36Å; F239-Q251 HydrophobicContact CE1-CB 3.83Å; E247-Q251 WeakPolarHBondContact O-CG 3.4Å; E247-Q251 PolarHBondContact O-N 3.43Å; E247-Q251 PolarHBondContact OE1-NE2 3.06Å; R248-Q251 PolarHBondContact O-N 3.22Å; Q251-S254 WeakPolarHBondContact O-CB 3.23Å; Q251-S254 PolarHBondContact O-N 3.32Å; Q251-S254 PolarHBondContact O-OG 2.87Å
252	M	87.3	Confident	84.6	Confident	7 Å²	7	69.6 Å²	69.6	3%	0.034	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-42.4	175.5	-68	170.1	82.8	0	0	112.5	L229 E230 V233 F239 R248 C249 S254 R255	L229-M252 HydrophobicContact CD1-CB 3.74Å; L229-M252 HydrophobicContact CD2-CB 3.78Å; L229-M252 HydrophobicContact CD2-SD 4.44Å; L229-M252 HydrophobicContact CG-CB 3.66Å; L229-M252 HydrophobicContact CG-CE 4.13Å; L229-M252 HydrophobicContact CG-SD 4.29Å; E230-M252 HydrophobicContact CG-CE 4.27Å; V233-M252 HydrophobicContact CB-CB 4.48Å; V233-M252 HydrophobicContact CB-CE 4.14Å; F239-M252 HydrophobicContact CD1-CG 4.12Å; F239-M252 HydrophobicContact CD2-CG 4.06Å; F239-M252 HydrophobicContact CD2-SD 4.47Å; F239-M252 HydrophobicContact CE1-CG 3.65Å; F239-M252 HydrophobicContact CE2-CG 3.57Å; F239-M252 HydrophobicContact CE2-SD 4.45Å; F239-M252 HydrophobicContact CG-CG 4.31Å; F239-M252 HydrophobicContact CZ-CB 4.26Å; F239-M252 HydrophobicContact CZ-CG 3.34Å; R248-M252 HydrophobicContact CG-SD 3.99Å; R248-M252 WeakPolarHBondContact O-CB 3.49Å; R248-M252 VanDerWaalsContact O-CG 3.29Å; R248-M252 WeakPolarHBondContact O-CG 3.17Å; R248-M252 PolarHBondContact O-N 3.27Å; C249-M252 PolarHBondContact O-N 2.65Å; M252-S254 PolarHBondContact O-N 2.79Å; M252-R255 WeakPolarHBondContact O-CB 3.42Å; M252-R255 PolarHBondContact O-N 2.92Å
253	I	89.5	Confident	86	Confident	22 Å²	22	65 Å²	65	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-32.2	175.6	-72.4	163.3	0	0	0	111.6	L229 C249 Q250 R255 L256 K262 I265 F269	L229-I253 HydrophobicContact CD1-CG1 4Å; L229-I253 HydrophobicContact CD2-CD1 4.48Å; L229-I253 HydrophobicContact CD2-CG1 3.93Å; C249-I253 WeakPolarHBondContact O-CB 3.48Å; C249-I253 WeakPolarHBondContact O-CD1 3.47Å; C249-I253 WeakPolarHBondContact O-CG1 3.5Å; C249-I253 PolarHBondContact O-N 2.93Å; Q250-I253 PolarHBondContact O-N 2.76Å; I253-R255 PolarHBondContact O-N 3.25Å; I253-L256 PolarHBondContact O-N 2.61Å; I253-K262 HydrophobicContact CG2-CD 4.22Å; I253-K262 HydrophobicContact CG2-CG 4.23Å; I253-I265 HydrophobicContact CD1-CG2 4.27Å; I253-I265 HydrophobicContact CG1-CG2 4.13Å; I253-F269 HydrophobicContact CD1-CD2 4.11Å; I253-F269 HydrophobicContact CD1-CE2 3.97Å
254	S	87.7	Confident	87.2	Confident	91 Å²	91	63.8 Å²	63.8	64%	0.636	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.2	177.8	81.1	0	0	0	0	113.8	Q250 Q251 M252	Q250-S254 PolarHBondContact O-N 2.86Å; Q250-S254 VanDerWaalsContact O-N 3.09Å; Q251-S254 WeakPolarHBondContact O-CB 3.23Å; Q251-S254 PolarHBondContact O-N 3.32Å; Q251-S254 PolarHBondContact O-OG 2.87Å; M252-S254 PolarHBondContact O-N 2.79Å
255	R	85	Confident	87.7	Confident	101 Å²	101	59.7 Å²	59.7	38%	0.381	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	1.3	179.2	-57.8	179.2	176.3	-152.2	-7.8	114.3	V233 E238 M252 I253 D257	V233-R255 HydrophobicContact CG1-CB 3.89Å; V233-R255 HydrophobicContact CG1-CG 4.47Å; E238-R255 IonicContact OE1-NH1 3.94Å; E238-R255 IonicContact OE2-CZ 3.76Å; E238-R255 IonicContact OE2-NH1 2.76Å; E238-R255 PolarHBondContact OE2-NH1 3.08Å; E238-R255 IonicContact OE2-NH2 2.68Å; E238-R255 PolarHBondContact OE2-NH2 3.27Å; M252-R255 WeakPolarHBondContact O-CB 3.42Å; M252-R255 PolarHBondContact O-N 2.92Å; I253-R255 PolarHBondContact O-N 3.25Å; R255-D257 PolarHBondContact O-N 3.29Å
256	L	86.9	Confident	88.1	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.084	32%	0.315	C	S	.	.			trans	-81.7	103.5	179.2	-70.2	175.3	0	0	0	111.2	L229 A232 V233 I253 N258 K262 I265	L229-L256 HydrophobicContact CD1-CD1 3.81Å; L229-L256 HydrophobicContact CD1-CD2 4.43Å; L229-L256 HydrophobicContact CD1-CG 4.19Å; A232-L256 HydrophobicContact CB-CD2 3.68Å; V233-L256 HydrophobicContact CG2-CD2 3.51Å; V233-L256 HydrophobicContact CG2-CG 4.16Å; I253-L256 PolarHBondContact O-N 2.61Å; L256-N258 VanDerWaalsContact C-N 3.27Å; L256-N258 PolarHBondContact O-N 3.07Å; L256-K262 HydrophobicContact CB-CB 4.23Å; L256-K262 HydrophobicContact CD1-CB 4.08Å; L256-I265 HydrophobicContact CD1-CD1 3.74Å
257	D	84.9	Confident	88.4	Confident	160 Å²	160	59.2 Å²	59.2	86%	0.856	30%	0.303	S	S	*	.			trans	-64.7	-31.1	172.4	-62.9	-48.6	0	0	0	112.7	R255 N259	R255-D257 PolarHBondContact O-N 3.29Å; D257-N259 PolarHBondContact O-N 2.84Å
258	N	86.8	Confident	88.8	Confident	68 Å²	68	55 Å²	55	36%	0.364	28%	0.284	S	S	.	.			trans	-86.4	101.9	-174.4	-174.7	-21.6	0	0	0	111.5	L256 N260 Q261 K262	L256-N258 VanDerWaalsContact C-N 3.27Å; L256-N258 PolarHBondContact O-N 3.07Å; N258-N260 PolarHBondContact O-N 3.33Å; N258-N260 VanDerWaalsContact O-N 3.12Å; N258-N260 WeakPolarHBondContact OD1-CB 3.46Å; N258-N260 PolarHBondContact OD1-N 3.06Å; N258-Q261 HydrophobicContact CB-CB 4.09Å; N258-Q261 HydrophobicContact CB-CG 4.04Å; N258-Q261 PolarHBondContact O-N 3.48Å; N258-Q261 VanDerWaalsContact O-N 3.07Å; N258-Q261 PolarHBondContact OD1-N 2.9Å; N258-K262 PolarHBondContact O-N 3.16Å
259	N	89.9	Confident	89	Confident	126 Å²	126	55 Å²	55	67%	0.674	29%	0.285	S	S	*	.	H	α-helix	trans	-53.2	-31.4	177.8	-69.8	-61.2	0	0	0	114.2	D257 S263	D257-N259 PolarHBondContact O-N 2.84Å; N259-S263 VanDerWaalsContact O-CB 3.28Å; N259-S263 WeakPolarHBondContact O-CB 3.38Å; N259-S263 PolarHBondContact O-N 2.9Å
260	N	88.9	Confident	88.7	Confident	79 Å²	79	57.5 Å²	57.5	42%	0.422	30%	0.298	S	S	.	.	H	α-helix	trans	-72.5	-45.8	176.8	-71.7	-26.9	0	0	0	111.2	N258 K262 S263 F264 H285 A287	N258-N260 PolarHBondContact O-N 3.33Å; N258-N260 VanDerWaalsContact O-N 3.12Å; N258-N260 WeakPolarHBondContact OD1-CB 3.46Å; N258-N260 PolarHBondContact OD1-N 3.06Å; N260-K262 VanDerWaalsContact C-N 3.29Å; N260-K262 PolarHBondContact O-N 3.39Å; N260-S263 PolarHBondContact O-N 3.38Å; N260-F264 PolarHBondContact O-N 2.97Å; N260-H285 PolarHBondContact O-CE1 3.46Å; N260-H285 VanDerWaalsContact O-CE1 3.24Å; N260-A287 HydrophobicContact CB-CB 3.92Å; N260-A287 WeakPolarHBondContact O-CB 3.14Å
261	Q	91.1	Very high	87.7	Confident	17 Å²	17	58 Å²	58	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-43.3	174.7	-70.9	175.9	-27.3	0	0	110.9	W164 N258 F264 I265	W164-Q261 HydrophobicContact CD2-CG 3.81Å; W164-Q261 HydrophobicContact CE3-CG 3.76Å; W164-Q261 VanDerWaalsContact CG-NE2 3.25Å; W164-Q261 HydrophobicContact CH2-CB 4.21Å; W164-Q261 HydrophobicContact CH2-CG 3.95Å; W164-Q261 HydrophobicContact CZ2-CB 4.07Å; W164-Q261 HydrophobicContact CZ2-CG 3.96Å; W164-Q261 HydrophobicContact CZ3-CG 3.85Å; N258-Q261 HydrophobicContact CB-CB 4.09Å; N258-Q261 HydrophobicContact CB-CG 4.04Å; N258-Q261 PolarHBondContact O-N 3.48Å; N258-Q261 VanDerWaalsContact O-N 3.07Å; N258-Q261 PolarHBondContact OD1-N 2.9Å; Q261-F264 WeakPolarHBondContact O-CB 3.33Å; Q261-F264 PolarHBondContact O-N 3.02Å; Q261-I265 WeakPolarHBondContact O-CG1 3.12Å; Q261-I265 PolarHBondContact O-N 3.42Å
262	K	92.2	Very high	86.5	Confident	59 Å²	59	58.4 Å²	58.4	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-52.3	176	-179	163.1	-179	161.8	0	112.5	I253 L256 N258 N260 F264 I265 E266	I253-K262 HydrophobicContact CG2-CD 4.22Å; I253-K262 HydrophobicContact CG2-CG 4.23Å; L256-K262 HydrophobicContact CB-CB 4.23Å; L256-K262 HydrophobicContact CD1-CB 4.08Å; N258-K262 PolarHBondContact O-N 3.16Å; N260-K262 VanDerWaalsContact C-N 3.29Å; N260-K262 PolarHBondContact O-N 3.39Å; K262-F264 VanDerWaalsContact C-N 3.25Å; K262-F264 PolarHBondContact O-N 3.32Å; K262-I265 PolarHBondContact O-N 3.3Å; K262-I265 VanDerWaalsContact O-N 3.15Å; K262-E266 WeakPolarHBondContact CE-OE1 3.5Å; K262-E266 HydrophobicContact CG-CG 4.34Å; K262-E266 WeakPolarHBondContact CG-OE1 3.37Å; K262-E266 WeakPolarHBondContact O-CB 3.14Å; K262-E266 WeakPolarHBondContact O-CG 3.42Å; K262-E266 PolarHBondContact O-N 3.32Å
263	S	92	Very high	85.1	Confident	53 Å²	53	59.9 Å²	59.9	37%	0.371	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-34.6	176	175.9	0	0	0	0	112.7	N259 N260 A267 H285	N259-S263 VanDerWaalsContact O-CB 3.28Å; N259-S263 WeakPolarHBondContact O-CB 3.38Å; N259-S263 PolarHBondContact O-N 2.9Å; N260-S263 PolarHBondContact O-N 3.38Å; S263-A267 WeakPolarHBondContact O-CB 3.48Å; S263-A267 PolarHBondContact O-N 3.32Å; S263-H285 PolarHBondContact OG-NE2 3.38Å
264	F	92.6	Very high	83.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-66.9	-46.9	174.8	-178.3	-85.5	0	0	0	112	W164 V168 L172 L224 N260 Q261 K262 A267 C268 L282 H285 A287 V288	W164-F264 HydrophobicContact CH2-CB 4.01Å; W164-F264 AromaticContact CH2-CD1 3.73Å; W164-F264 HydrophobicContact CH2-CD1 3.73Å; W164-F264 HydrophobicContact CH2-CE1 4.35Å; W164-F264 AromaticContact CH2-CG 3.85Å; W164-F264 HydrophobicContact CH2-CG 3.85Å; W164-F264 HydrophobicContact CZ2-CD1 4.12Å; V168-F264 HydrophobicContact CG1-CD1 4.34Å; V168-F264 HydrophobicContact CG1-CE1 3.43Å; V168-F264 VanDerWaalsContact CG1-CE1 3.43Å; V168-F264 HydrophobicContact CG1-CE2 4.28Å; V168-F264 HydrophobicContact CG1-CZ 3.39Å; L172-F264 HydrophobicContact CD2-CE2 4.39Å; L172-F264 HydrophobicContact CD2-CZ 4.38Å; L224-F264 HydrophobicContact CD2-CE1 4.49Å; L224-F264 HydrophobicContact CD2-CZ 4.26Å; N260-F264 PolarHBondContact O-N 2.97Å; Q261-F264 WeakPolarHBondContact O-CB 3.33Å; Q261-F264 PolarHBondContact O-N 3.02Å; K262-F264 VanDerWaalsContact C-N 3.25Å; K262-F264 PolarHBondContact O-N 3.32Å; F264-A267 PolarHBondContact O-N 3.29Å; F264-C268 VanDerWaalsContact CE1-SG 3.54Å; F264-C268 PolarHBondContact O-N 3.23Å; F264-C268 PolarHBondContact O-SG 3.09Å; F264-L282 HydrophobicContact CD2-CD2 3.9Å; F264-L282 HydrophobicContact CE2-CB 3.83Å; F264-L282 HydrophobicContact CE2-CD2 3.79Å; F264-L282 HydrophobicContact CE2-CG 4.35Å; F264-L282 HydrophobicContact CG-CD2 4.34Å; F264-L282 HydrophobicContact CZ-CB 4.24Å; F264-L282 HydrophobicContact CZ-CD2 4.11Å; F264-H285 HydrophobicContact CD2-CB 3.91Å; F264-H285 AromaticContact CD2-CG 3.97Å; F264-H285 AromaticContact CD2-ND1 3.87Å; F264-H285 PolarHBondContact N-CE1 3.44Å; F264-H285 VanDerWaalsContact N-CE1 3.34Å; F264-A287 HydrophobicContact CB-CB 3.9Å; F264-A287 HydrophobicContact CD2-CB 4.43Å; F264-A287 HydrophobicContact CG-CB 4.44Å; F264-V288 HydrophobicContact CD2-CG1 4.24Å; F264-V288 HydrophobicContact CD2-CG2 4.2Å; F264-V288 HydrophobicContact CE2-CG1 3.91Å; F264-V288 HydrophobicContact CE2-CG2 3.8Å; F264-V288 HydrophobicContact CZ-CG1 4.36Å
265	I	92.7	Very high	82.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-42.6	-177.6	-70.3	163.3	0	0	0	110.4	W164 L229 I253 L256 Q261 K262 A267 C268 F269	W164-I265 HydrophobicContact CZ2-CD1 4.14Å; W164-I265 HydrophobicContact CZ2-CG1 4.31Å; L229-I265 HydrophobicContact CB-CD1 4.07Å; L229-I265 HydrophobicContact CB-CG2 4.22Å; L229-I265 HydrophobicContact CD1-CD1 4.04Å; L229-I265 HydrophobicContact CD1-CG2 4.38Å; L229-I265 HydrophobicContact CD2-CG2 4.32Å; I253-I265 HydrophobicContact CD1-CG2 4.27Å; I253-I265 HydrophobicContact CG1-CG2 4.13Å; L256-I265 HydrophobicContact CD1-CD1 3.74Å; Q261-I265 WeakPolarHBondContact O-CG1 3.12Å; Q261-I265 PolarHBondContact O-N 3.42Å; K262-I265 PolarHBondContact O-N 3.3Å; K262-I265 VanDerWaalsContact O-N 3.15Å; I265-A267 VanDerWaalsContact C-N 3.28Å; I265-A267 PolarHBondContact O-N 2.64Å; I265-C268 WeakPolarHBondContact O-CB 3.16Å; I265-C268 PolarHBondContact O-N 3.04Å; I265-F269 HydrophobicContact CG2-CD2 4Å; I265-F269 HydrophobicContact CG2-CE2 3.44Å; I265-F269 VanDerWaalsContact CG2-CE2 3.44Å; I265-F269 HydrophobicContact CG2-CZ 4.18Å; I265-F269 WeakPolarHBondContact O-CD2 3.47Å; I265-F269 PolarHBondContact O-N 2.89Å
266	E	91.3	Very high	81	Confident	97 Å²	97	63.6 Å²	63.6	45%	0.453	36%	0.36	S	S	.	.	H	α-helix	trans	-58.5	-39.9	171.3	-71.3	172	174.1	0	0	111.4	K262 C268 F269 D270	K262-E266 WeakPolarHBondContact CE-OE1 3.5Å; K262-E266 HydrophobicContact CG-CG 4.34Å; K262-E266 WeakPolarHBondContact CG-OE1 3.37Å; K262-E266 WeakPolarHBondContact O-CB 3.14Å; K262-E266 WeakPolarHBondContact O-CG 3.42Å; K262-E266 PolarHBondContact O-N 3.32Å; E266-C268 VanDerWaalsContact C-N 3.31Å; E266-C268 PolarHBondContact O-N 3.25Å; E266-F269 PolarHBondContact O-N 3.3Å; E266-D270 PolarHBondContact O-N 2.57Å
267	A	90.1	Very high	79.9	Confident	13 Å²	13	66.6 Å²	66.6	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-69.9	-21.4	174.3	0	0	0	0	0	114.2	S263 F264 I265 L278 L282	S263-A267 WeakPolarHBondContact O-CB 3.48Å; S263-A267 PolarHBondContact O-N 3.32Å; F264-A267 PolarHBondContact O-N 3.29Å; I265-A267 VanDerWaalsContact C-N 3.28Å; I265-A267 PolarHBondContact O-N 2.64Å; A267-L278 WeakPolarHBondContact O-CD1 3.11Å; A267-L282 HydrophobicContact CB-CD2 3.97Å
268	C	91.3	Very high	79.5	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.034	34%	0.343	C	S	.	.	H	α-helix	trans	-76.8	-25.3	171.6	-65.6	0	0	0	0	112.4	V221 G225 F264 I265 E266	V221-C268 HydrophobicContact CG1-CB 4.31Å; G225-C268 VanDerWaalsContact CA-CB 3.5Å; F264-C268 VanDerWaalsContact CE1-SG 3.54Å; F264-C268 PolarHBondContact O-N 3.23Å; F264-C268 PolarHBondContact O-SG 3.09Å; I265-C268 WeakPolarHBondContact O-CB 3.16Å; I265-C268 PolarHBondContact O-N 3.04Å; E266-C268 VanDerWaalsContact C-N 3.31Å; E266-C268 PolarHBondContact O-N 3.25Å
269	F	89.1	Confident	79.1	Confident	42 Å²	42	56.5 Å²	56.5	18%	0.184	33%	0.328	C	S	.	.	S	Bend	trans	-92.8	3.3	176.9	-58.5	-41.5	0	0	0	113.8	Y222 V226 L229 C249 I253 I265 E266 T271	Y222-F269 AromaticContact CD2-CD1 3.49Å; Y222-F269 HydrophobicContact CD2-CD1 3.49Å; Y222-F269 VanDerWaalsContact CD2-CD1 3.49Å; Y222-F269 AromaticContact CD2-CE1 3.93Å; Y222-F269 HydrophobicContact CD2-CE1 3.93Å; Y222-F269 HydrophobicContact CE1-CE1 4.46Å; Y222-F269 AromaticContact CE2-CD1 3.55Å; Y222-F269 HydrophobicContact CE2-CD1 3.55Å; Y222-F269 AromaticContact CE2-CE1 3.83Å; Y222-F269 HydrophobicContact CE2-CE1 3.83Å; Y222-F269 HydrophobicContact CE2-CG 4.49Å; Y222-F269 HydrophobicContact CG-CD1 4.17Å; Y222-F269 HydrophobicContact CG-CE1 4.27Å; Y222-F269 WeakPolarHBondContact O-CE1 3.43Å; V226-F269 HydrophobicContact CG2-CE1 3.94Å; V226-F269 HydrophobicContact CG2-CZ 4.11Å; L229-F269 HydrophobicContact CD2-CE2 4.35Å; C249-F269 HydrophobicContact CB-CE2 4.28Å; C249-F269 HydrophobicContact CB-CZ 4.33Å; I253-F269 HydrophobicContact CD1-CD2 4.11Å; I253-F269 HydrophobicContact CD1-CE2 3.97Å; I265-F269 HydrophobicContact CG2-CD2 4Å; I265-F269 HydrophobicContact CG2-CE2 3.44Å; I265-F269 VanDerWaalsContact CG2-CE2 3.44Å; I265-F269 HydrophobicContact CG2-CZ 4.18Å; I265-F269 WeakPolarHBondContact O-CD2 3.47Å; I265-F269 PolarHBondContact O-N 2.89Å; E266-F269 PolarHBondContact O-N 3.3Å; F269-T271 PolarHBondContact O-N 3.33Å
270	D	82.3	Confident	78.3	Confident	59 Å²	59	56.4 Å²	56.4	32%	0.316	32%	0.321	S	S	.	.			trans	-70.8	85.8	173.7	178.5	7.6	0	0	0	111.7	E266 G272 S273 R281	E266-D270 PolarHBondContact O-N 2.57Å; D270-G272 PolarHBondContact O-N 3.3Å; D270-G272 VanDerWaalsContact O-N 3.13Å; D270-G272 PolarHBondContact OD1-N 2.94Å; D270-G272 VanDerWaalsContact OD1-N 3.16Å; D270-S273 PolarHBondContact O-N 3.14Å; D270-R281 IonicContact OD2-CZ 3.63Å; D270-R281 IonicContact OD2-NH1 3.1Å; D270-R281 PolarHBondContact OD2-NH1 3.02Å; D270-R281 IonicContact OD2-NH2 3.48Å; D270-R281 PolarHBondContact OD2-NH2 2.72Å
271	T	66	Low	77.9	Confident	139 Å²	139	57.9 Å²	57.9	85%	0.853	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-7	178	56.6	0	0	0	0	114.4	F269	F269-T271 PolarHBondContact O-N 3.33Å
272	G	60	Low	77.7	Confident	72 Å²	72	57 Å²	57	74%	0.742	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.7	179.1	0	0	0	0	0	114.7	D270	D270-G272 PolarHBondContact O-N 3.3Å; D270-G272 VanDerWaalsContact O-N 3.13Å; D270-G272 PolarHBondContact OD1-N 2.94Å; D270-G272 VanDerWaalsContact OD1-N 3.16Å
273	S	57.3	Low	77	Confident	39 Å²	39	54.7 Å²	54.7	27%	0.273	31%	0.307	S	S	.	.	S	Bend	trans	-99.6	142.5	-172	-142.6	0	0	0	0	113.6	D270 T275	D270-S273 PolarHBondContact O-N 3.14Å; S273-T275 PolarHBondContact O-N 3.18Å
274	T	60.3	Low	76.1	Confident	100 Å²	100	58 Å²	58	61%	0.613	32%	0.32	S	S	*	.			trans	-73.1	119.1	174.2	45.2	0	0	0	0	111	K276 C277 L278	T274-K276 VanDerWaalsContact C-N 3.31Å; T274-K276 PolarHBondContact O-N 2.04Å; T274-K276 VanDerWaalsContact O-N 3.1Å; T274-C277 WeakPolarHBondContact O-CA 3.31Å; T274-C277 WeakPolarHBondContact O-CB 3.36Å; T274-C277 PolarHBondContact O-N 3.2Å; T274-L278 PolarHBondContact O-N 2.71Å
275	T	58.6	Low	75.7	Confident	26 Å²	26	59.1 Å²	59.1	16%	0.16	33%	0.326	C	S	.	.	H	α-helix	trans	-40.2	-50.9	-173	55	0	0	0	0	114.6	E217 A218 S273 C277 L278 I279	E217-T275 HydrophobicContact CB-CG2 3.89Å; E217-T275 WeakPolarHBondContact OE2-CB 3.11Å; E217-T275 PolarHBondContact OE2-OG1 2.99Å; A218-T275 HydrophobicContact CB-CG2 3.6Å; S273-T275 PolarHBondContact O-N 3.18Å; T275-C277 VanDerWaalsContact C-N 3.26Å; T275-C277 PolarHBondContact O-N 3.17Å; T275-L278 WeakPolarHBondContact O-CA 3.28Å; T275-L278 WeakPolarHBondContact O-CB 3.34Å; T275-L278 PolarHBondContact O-N 3.42Å; T275-I279 PolarHBondContact O-N 3.49Å
276	K	56.6	Low	75.2	Confident	165 Å²	165	63.5 Å²	63.5	72%	0.717	35%	0.354	S	S	*	.	H	α-helix	trans	-65.3	-24.5	-177.4	-166.9	166.6	-173.6	165.8	0	114.2	T274	T274-K276 VanDerWaalsContact C-N 3.31Å; T274-K276 PolarHBondContact O-N 2.04Å; T274-K276 VanDerWaalsContact O-N 3.1Å
277	C	63.7	Low	74.8	Confident	80 Å²	80	59.7 Å²	59.7	54%	0.541	34%	0.339	S	S	.	.	H	α-helix	trans	-88.1	-36.1	168.3	-68.7	0	0	0	0	111.2	T274 T275 K280 R281	T274-C277 WeakPolarHBondContact O-CA 3.31Å; T274-C277 WeakPolarHBondContact O-CB 3.36Å; T274-C277 PolarHBondContact O-N 3.2Å; T275-C277 VanDerWaalsContact C-N 3.26Å; T275-C277 PolarHBondContact O-N 3.17Å; C277-K280 PolarHBondContact O-N 2.63Å; C277-R281 PolarHBondContact O-N 2.77Å
278	L	77.2	Confident	74.2	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-48.3	-178.6	-177	52.9	0	0	0	112.9	V221 A267 T274 T275 K280 R281 L282	V221-L278 HydrophobicContact CG1-CD2 3.65Å; V221-L278 HydrophobicContact CG1-CG 4.11Å; A267-L278 WeakPolarHBondContact O-CD1 3.11Å; T274-L278 PolarHBondContact O-N 2.71Å; T275-L278 WeakPolarHBondContact O-CA 3.28Å; T275-L278 WeakPolarHBondContact O-CB 3.34Å; T275-L278 PolarHBondContact O-N 3.42Å; L278-K280 VanDerWaalsContact C-N 3.26Å; L278-K280 PolarHBondContact O-N 3.35Å; L278-R281 CarbonylContact O-C 3.55Å; L278-R281 WeakPolarHBondContact O-CA 3.46Å; L278-R281 WeakPolarHBondContact O-CB 3.44Å; L278-R281 PolarHBondContact O-N 3.34Å; L278-L282 HydrophobicContact CD1-CD1 4.4Å; L278-L282 HydrophobicContact CD1-CG 4.21Å; L278-L282 HydrophobicContact CG-CD1 4.16Å; L278-L282 HydrophobicContact CG-CG 4.45Å; L278-L282 WeakPolarHBondContact O-CG 3.46Å; L278-L282 PolarHBondContact O-N 3Å
279	I	78.5	Confident	73.2	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.046	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-39.2	175.6	-75.1	-179.9	0	0	0	111.1	L172 L175 M176 H179 V221 T275 R281 L282 L283	L172-I279 HydrophobicContact CD1-CB 4.49Å; L172-I279 HydrophobicContact CD1-CG1 4.29Å; L172-I279 HydrophobicContact CD1-CG2 3.96Å; L175-I279 HydrophobicContact CB-CD1 4.16Å; M176-I279 HydrophobicContact CG-CG2 3.66Å; H179-I279 VanDerWaalsContact CE1-CD1 3.49Å; H179-I279 WeakPolarHBondContact CE1-CD1 3.32Å; H179-I279 WeakPolarHBondContact ND1-CD1 3.26Å; V221-I279 HydrophobicContact CG2-CD1 3.84Å; V221-I279 HydrophobicContact CG2-CG1 3.63Å; T275-I279 PolarHBondContact O-N 3.49Å; I279-R281 VanDerWaalsContact C-N 3.33Å; I279-R281 PolarHBondContact O-N 3.4Å; I279-L282 PolarHBondContact O-N 2.8Å; I279-L283 HydrophobicContact CG2-CD1 4.23Å; I279-L283 VanDerWaalsContact O-CG 3.26Å; I279-L283 WeakPolarHBondContact O-CG 3.21Å; I279-L283 PolarHBondContact O-N 3.45Å
280	K	72.5	Confident	71.9	Confident	123 Å²	123	64.2 Å²	64.2	54%	0.535	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-34.4	173.8	-69.7	-173.4	176.5	-172.4	0	113.1	C277 L278 N284	C277-K280 PolarHBondContact O-N 2.63Å; L278-K280 VanDerWaalsContact C-N 3.26Å; L278-K280 PolarHBondContact O-N 3.35Å; K280-N284 PolarHBondContact O-ND2 3.13Å
281	R	81.3	Confident	70.7	Confident	110 Å²	110	67.5 Å²	67.5	42%	0.415	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-45	172.2	-175.4	175.2	73.3	173.4	0.2	111.2	D270 C277 L278 I279 N284 H285	D270-R281 IonicContact OD2-CZ 3.63Å; D270-R281 IonicContact OD2-NH1 3.1Å; D270-R281 PolarHBondContact OD2-NH1 3.02Å; D270-R281 IonicContact OD2-NH2 3.48Å; D270-R281 PolarHBondContact OD2-NH2 2.72Å; C277-R281 PolarHBondContact O-N 2.77Å; L278-R281 CarbonylContact O-C 3.55Å; L278-R281 WeakPolarHBondContact O-CA 3.46Å; L278-R281 WeakPolarHBondContact O-CB 3.44Å; L278-R281 PolarHBondContact O-N 3.34Å; I279-R281 VanDerWaalsContact C-N 3.33Å; I279-R281 PolarHBondContact O-N 3.4Å; R281-N284 CarbonylContact O-C 3.54Å; R281-N284 PolarHBondContact O-N 3.44Å; R281-H285 PolarHBondContact O-N 3.41Å
282	L	86.2	Confident	70.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-41.1	-179.6	-68.7	171.8	0	0	0	112.4	L172 V221 F264 A267 L278 I279 N284 H285 V288	L172-L282 HydrophobicContact CD1-CB 4.27Å; L172-L282 HydrophobicContact CD2-CB 4.01Å; V221-L282 HydrophobicContact CG1-CD1 3.73Å; F264-L282 HydrophobicContact CD2-CD2 3.9Å; F264-L282 HydrophobicContact CE2-CB 3.83Å; F264-L282 HydrophobicContact CE2-CD2 3.79Å; F264-L282 HydrophobicContact CE2-CG 4.35Å; F264-L282 HydrophobicContact CG-CD2 4.34Å; F264-L282 HydrophobicContact CZ-CB 4.24Å; F264-L282 HydrophobicContact CZ-CD2 4.11Å; A267-L282 HydrophobicContact CB-CD2 3.97Å; L278-L282 HydrophobicContact CD1-CD1 4.4Å; L278-L282 HydrophobicContact CD1-CG 4.21Å; L278-L282 HydrophobicContact CG-CD1 4.16Å; L278-L282 HydrophobicContact CG-CG 4.45Å; L278-L282 WeakPolarHBondContact O-CG 3.46Å; L278-L282 PolarHBondContact O-N 3Å; I279-L282 PolarHBondContact O-N 2.8Å; L282-N284 PolarHBondContact O-N 2.93Å; L282-H285 WeakPolarHBondContact O-CB 3.29Å; L282-H285 PolarHBondContact O-N 3.38Å; L282-V288 WeakPolarHBondContact O-CG2 3.34Å
283	L	76.9	Confident	70.6	Confident	10 Å²	10	65.3 Å²	65.3	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-58.7	-35.9	175.1	-69.6	162.3	0	0	0	112.8	L172 M176 I279 H285 T289 F380	L172-L283 HydrophobicContact CD2-CB 4.44Å; L172-L283 HydrophobicContact CD2-CD2 3.62Å; L172-L283 HydrophobicContact CD2-CG 3.88Å; L172-L283 HydrophobicContact CG-CD2 3.69Å; L172-L283 HydrophobicContact CG-CG 4.12Å; M176-L283 HydrophobicContact CE-CD1 3.53Å; M176-L283 HydrophobicContact CG-CD1 3.81Å; M176-L283 HydrophobicContact CG-CD2 4.18Å; M176-L283 HydrophobicContact CG-CG 4.42Å; M176-L283 HydrophobicContact SD-CD1 3.29Å; M176-L283 WeakPolarHBondContact SD-CD1 3.29Å; M176-L283 HydrophobicContact SD-CD2 3.45Å; M176-L283 WeakPolarHBondContact SD-CD2 3.43Å; M176-L283 HydrophobicContact SD-CG 3.97Å; I279-L283 HydrophobicContact CG2-CD1 4.23Å; I279-L283 VanDerWaalsContact O-CG 3.26Å; I279-L283 WeakPolarHBondContact O-CG 3.21Å; I279-L283 PolarHBondContact O-N 3.45Å; L283-H285 VanDerWaalsContact C-N 3.31Å; L283-T289 PolarHBondContact O-OG1 2.7Å; L283-F380 HydrophobicContact CB-CD2 4.38Å; L283-F380 HydrophobicContact CD2-CB 3.73Å; L283-F380 HydrophobicContact CD2-CD1 3.39Å; L283-F380 HydrophobicContact CD2-CD2 4.08Å; L283-F380 HydrophobicContact CD2-CE1 4Å; L283-F380 HydrophobicContact CD2-CG 3.42Å; L283-F380 VanDerWaalsContact CD2-CG 3.42Å; L283-F380 WeakPolarHBondContact O-CE2 3.12Å; L283-F380 WeakPolarHBondContact O-CZ 3.48Å
284	N	74.7	Confident	70.9	Confident	121 Å²	121	70 Å²	70	65%	0.647	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	8.2	-179.4	-67.2	-85	0	0	0	112.2	K280 R281 L282 T289	K280-N284 PolarHBondContact O-ND2 3.13Å; R281-N284 CarbonylContact O-C 3.54Å; R281-N284 PolarHBondContact O-N 3.44Å; L282-N284 PolarHBondContact O-N 2.93Å; N284-T289 WeakPolarHBondContact CA-OG1 3.29Å; N284-T289 PolarHBondContact O-OG1 3.39Å; N284-T289 VanDerWaalsContact O-OG1 3.09Å
285	H	83.2	Confident	71.3	Confident	25 Å²	25	68.6 Å²	68.6	12%	0.116	36%	0.358	C	S	.	.	S	Bend	trans	-77.2	131	-178.9	-168	-88.8	0	0	0	111.4	N260 S263 F264 R281 L282 L283 A287 V288 T289	N260-H285 PolarHBondContact O-CE1 3.46Å; N260-H285 VanDerWaalsContact O-CE1 3.24Å; S263-H285 PolarHBondContact OG-NE2 3.38Å; F264-H285 HydrophobicContact CD2-CB 3.91Å; F264-H285 AromaticContact CD2-CG 3.97Å; F264-H285 AromaticContact CD2-ND1 3.87Å; F264-H285 PolarHBondContact N-CE1 3.44Å; F264-H285 VanDerWaalsContact N-CE1 3.34Å; R281-H285 PolarHBondContact O-N 3.41Å; L282-H285 WeakPolarHBondContact O-CB 3.29Å; L282-H285 PolarHBondContact O-N 3.38Å; L283-H285 VanDerWaalsContact C-N 3.31Å; H285-A287 WeakPolarHBondContact ND1-CB 3.45Å; H285-A287 PolarHBondContact ND1-N 3.14Å; H285-A287 PolarHBondContact O-N 3.45Å; H285-V288 HydrophobicContact CB-CG2 4.46Å; H285-V288 WeakPolarHBondContact O-CG2 3.41Å; H285-V288 PolarHBondContact O-N 3.36Å; H285-T289 PolarHBondContact N-OG1 2.93Å; H285-T289 PolarHBondContact O-N 2.68Å; H285-T289 PolarHBondContact O-OG1 3.42Å
286	P	81.5	Confident	71.8	Confident	92 Å²	92	68.2 Å²	68.2	60%	0.597	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-11	-174.8	-28.6	35.8	0	0	0	117.4
287	A	83.4	Confident	72.4	Confident	16 Å²	16	64.2 Å²	64.2	13%	0.132	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.6	174.1	0	0	0	0	0	113.9	W164 N260 F264 H285	W164-A287 HydrophobicContact CH2-CB 4.01Å; W164-A287 HydrophobicContact CZ3-CB 3.73Å; N260-A287 HydrophobicContact CB-CB 3.92Å; N260-A287 WeakPolarHBondContact O-CB 3.14Å; F264-A287 HydrophobicContact CB-CB 3.9Å; F264-A287 HydrophobicContact CD2-CB 4.43Å; F264-A287 HydrophobicContact CG-CB 4.44Å; H285-A287 WeakPolarHBondContact ND1-CB 3.45Å; H285-A287 PolarHBondContact ND1-N 3.14Å; H285-A287 PolarHBondContact O-N 3.45Å
288	V	78.3	Confident	72.8	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.03	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-20.8	-176.9	-65.6	0	0	0	0	113	W164 V168 F264 L282 H285 E290 F380	W164-V288 HydrophobicContact CH2-CG1 4.33Å; W164-V288 HydrophobicContact CZ3-CG1 3.77Å; V168-V288 HydrophobicContact CB-CG1 4.19Å; V168-V288 HydrophobicContact CG1-CG1 3.88Å; F264-V288 HydrophobicContact CD2-CG1 4.24Å; F264-V288 HydrophobicContact CD2-CG2 4.2Å; F264-V288 HydrophobicContact CE2-CG1 3.91Å; F264-V288 HydrophobicContact CE2-CG2 3.8Å; F264-V288 HydrophobicContact CZ-CG1 4.36Å; L282-V288 WeakPolarHBondContact O-CG2 3.34Å; H285-V288 HydrophobicContact CB-CG2 4.46Å; H285-V288 WeakPolarHBondContact O-CG2 3.41Å; H285-V288 PolarHBondContact O-N 3.36Å; V288-E290 PolarHBondContact O-N 3.01Å; V288-F380 HydrophobicContact CB-CE1 4.22Å; V288-F380 HydrophobicContact CB-CZ 3.99Å; V288-F380 HydrophobicContact CG2-CE1 4.21Å; V288-F380 HydrophobicContact CG2-CZ 3.83Å; V288-F380 VanDerWaalsContact O-CZ 3.27Å; V288-F380 WeakPolarHBondContact O-CZ 3.34Å
289	T	69.1	Low	72.7	Confident	57 Å²	57	62.3 Å²	62.3	35%	0.35	33%	0.329	S	S	.	.			trans	-65.8	94	-179.2	-51.1	0	0	0	0	112.2	L283 N284 H285	L283-T289 PolarHBondContact O-OG1 2.7Å; N284-T289 WeakPolarHBondContact CA-OG1 3.29Å; N284-T289 PolarHBondContact O-OG1 3.39Å; N284-T289 VanDerWaalsContact O-OG1 3.09Å; H285-T289 PolarHBondContact N-OG1 2.93Å; H285-T289 PolarHBondContact O-N 2.68Å; H285-T289 PolarHBondContact O-OG1 3.42Å
290	E	61.4	Low	72.5	Confident	94 Å²	94	65 Å²	65	44%	0.439	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-75.4	125.2	168.6	-70.2	-179.3	-162.1	0	0	110.6	N165 V288	N165-E290 PolarHBondContact ND2-OE1 2.89Å; V288-E290 PolarHBondContact O-N 3.01Å
291	V	57.5	Low	72.6	Confident	127 Å²	127	64.8 Å²	64.8	77%	0.77	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-70.1	121.6	171	178.3	0	0	0	0	107.8	I293	V291-I293 PolarHBondContact O-N 2.9Å; V291-I293 VanDerWaalsContact O-N 3.07Å
292	P	58	Low	72.4	Confident	47 Å²	47	60.5 Å²	60.5	31%	0.305	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-63.5	116.9	-175.4	25.6	-35.4	0	0	0	110.9	L294 L296 L379	P292-L294 PolarHBondContact O-N 3.08Å; P292-L296 HydrophobicContact CB-CD2 4.4Å; P292-L379 HydrophobicContact CB-CD1 3.88Å; P292-L379 HydrophobicContact CB-CD2 3.97Å; P292-L379 HydrophobicContact CB-CG 3.89Å; P292-L379 HydrophobicContact CG-CD1 4.29Å; P292-L379 HydrophobicContact CG-CD2 3.94Å; P292-L379 HydrophobicContact CG-CG 4.36Å
293	I	65.5	Low	71.9	Confident	118 Å²	118	60.8 Å²	60.8	61%	0.605	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-53	140.5	168.5	-51.2	175.9	0	0	0	107.9	V291 K295 L296 L297	V291-I293 PolarHBondContact O-N 2.9Å; V291-I293 VanDerWaalsContact O-N 3.07Å; I293-K295 HydrophobicContact CG2-CB 4.04Å; I293-K295 PolarHBondContact O-N 2.69Å; I293-L296 WeakPolarHBondContact O-CA 3.5Å; I293-L296 WeakPolarHBondContact O-CB 3.45Å; I293-L296 PolarHBondContact O-N 2.84Å; I293-L297 PolarHBondContact O-N 3.09Å; I293-L297 VanDerWaalsContact O-N 3.14Å
294	L	65.3	Low	71.7	Confident	139 Å²	139	62.9 Å²	62.9	73%	0.728	34%	0.34	S	S	*	.	H	α-helix	trans	-53.6	-25.8	178.9	-69.7	171.2	0	0	0	113.2	P292 L297 S298	P292-L294 PolarHBondContact O-N 3.08Å; L294-L297 HydrophobicContact CD2-CD2 4.4Å; L294-S298 WeakPolarHBondContact O-CB 3.34Å; L294-S298 PolarHBondContact O-N 3.21Å; L294-S298 PolarHBondContact O-OG 3.35Å
295	K	67.9	Low	71.5	Confident	69 Å²	69	58.9 Å²	58.9	30%	0.3	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-42.9	170.6	-168.2	-178.3	179.5	172.4	0	113.2	I293 S298 A299 T363 L364 Y368	I293-K295 HydrophobicContact CG2-CB 4.04Å; I293-K295 PolarHBondContact O-N 2.69Å; K295-S298 WeakPolarHBondContact CA-OG 3.2Å; K295-S298 PolarHBondContact O-OG 3.21Å; K295-S298 VanDerWaalsContact O-OG 3.1Å; K295-A299 VanDerWaalsContact O-CB 3.26Å; K295-A299 WeakPolarHBondContact O-CB 3.28Å; K295-A299 PolarHBondContact O-N 3.43Å; K295-T363 WeakPolarHBondContact CE-O 3.47Å; K295-T363 VanDerWaalsContact CE-OG1 3.27Å; K295-T363 WeakPolarHBondContact CE-OG1 3.48Å; K295-T363 PolarHBondContact NZ-O 3.37Å; K295-L364 HydrophobicContact CD-CD2 4.33Å; K295-L364 HydrophobicContact CG-CD2 3.48Å; K295-L364 VanDerWaalsContact CG-CD2 3.48Å; K295-Y368 HydrophobicContact CD-CE1 4.15Å; K295-Y368 HydrophobicContact CD-CE2 4.46Å; K295-Y368 HydrophobicContact CG-CE1 3.8Å
296	L	70	Confident	70.8	Confident	19 Å²	19	57.9 Å²	57.9	10%	0.099	32%	0.316	C	S	.	.	H	α-helix	trans	-72.5	-40.6	176.3	179	55.5	0	0	0	111.4	P292 I293 A299 R300 Y368 V372 L379	P292-L296 HydrophobicContact CB-CD2 4.4Å; I293-L296 WeakPolarHBondContact O-CA 3.5Å; I293-L296 WeakPolarHBondContact O-CB 3.45Å; I293-L296 PolarHBondContact O-N 2.84Å; L296-A299 PolarHBondContact O-N 2.99Å; L296-R300 WeakPolarHBondContact O-CB 3.41Å; L296-R300 PolarHBondContact O-N 3.34Å; L296-Y368 WeakPolarHBondContact CA-OH 3.48Å; L296-Y368 PolarHBondContact N-OH 3.15Å; L296-V372 HydrophobicContact CD1-CG1 4.12Å; L296-V372 HydrophobicContact CD1-CG2 3.61Å; L296-L379 HydrophobicContact CD2-CG 4.17Å
297	L	69.2	Low	70.2	Confident	80 Å²	80	55.8 Å²	55.8	42%	0.419	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-45.8	177.4	-177.5	61.7	0	0	0	111.8	I293 L294 R300 M301	I293-L297 PolarHBondContact O-N 3.09Å; I293-L297 VanDerWaalsContact O-N 3.14Å; L294-L297 HydrophobicContact CD2-CD2 4.4Å; L297-R300 PolarHBondContact O-N 3.34Å; L297-M301 WeakPolarHBondContact O-CG 2.91Å; L297-M301 PolarHBondContact O-N 3.42Å
298	S	71.6	Confident	69.1	Low	47 Å²	47	58.6 Å²	58.6	33%	0.329	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-42.3	175.9	49.8	0	0	0	0	112.2	L294 K295 R300 M301 I302	L294-S298 WeakPolarHBondContact O-CB 3.34Å; L294-S298 PolarHBondContact O-N 3.21Å; L294-S298 PolarHBondContact O-OG 3.35Å; K295-S298 WeakPolarHBondContact CA-OG 3.2Å; K295-S298 PolarHBondContact O-OG 3.21Å; K295-S298 VanDerWaalsContact O-OG 3.1Å; S298-R300 PolarHBondContact O-N 3.23Å; S298-M301 PolarHBondContact O-N 3.36Å; S298-I302 VanDerWaalsContact O-CG1 3.29Å; S298-I302 WeakPolarHBondContact O-CG1 3.49Å; S298-I302 PolarHBondContact O-N 2.86Å
299	A	75.1	Confident	68.3	Low	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.2	-45.6	172.3	0	0	0	0	0	113	K295 L296 M301 I302 V303 L364 Y368 L369 V372	K295-A299 VanDerWaalsContact O-CB 3.26Å; K295-A299 WeakPolarHBondContact O-CB 3.28Å; K295-A299 PolarHBondContact O-N 3.43Å; L296-A299 PolarHBondContact O-N 2.99Å; A299-M301 VanDerWaalsContact C-N 3.34Å; A299-M301 PolarHBondContact O-N 3.05Å; A299-I302 PolarHBondContact O-N 3.1Å; A299-V303 WeakPolarHBondContact O-CB 3.28Å; A299-V303 WeakPolarHBondContact O-CG2 3.41Å; A299-V303 PolarHBondContact O-N 3.24Å; A299-L364 HydrophobicContact CB-CD2 4.11Å; A299-Y368 HydrophobicContact CB-CD1 4.3Å; A299-Y368 HydrophobicContact CB-CE1 3.77Å; A299-L369 HydrophobicContact CB-CD2 3.5Å; A299-L369 VanDerWaalsContact CB-CD2 3.5Å; A299-V372 HydrophobicContact CB-CB 4.18Å; A299-V372 HydrophobicContact CB-CG1 3.95Å; A299-V372 HydrophobicContact CB-CG2 3.83Å
300	R	73.2	Confident	67.7	Low	65 Å²	65	60.9 Å²	60.9	25%	0.245	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-40.1	177.2	-174.3	178.1	178.3	115.7	2.6	112	L296 L297 S298 N304 V372	L296-R300 WeakPolarHBondContact O-CB 3.41Å; L296-R300 PolarHBondContact O-N 3.34Å; L297-R300 PolarHBondContact O-N 3.34Å; S298-R300 PolarHBondContact O-N 3.23Å; R300-N304 VanDerWaalsContact O-CB 3.32Å; R300-N304 WeakPolarHBondContact O-CB 3.35Å; R300-N304 VanDerWaalsContact O-CG 3.28Å; R300-N304 PolarHBondContact O-N 3.49Å; R300-N304 PolarHBondContact O-OD1 3.35Å; R300-V372 HydrophobicContact CB-CG1 4.49Å
301	M	75.7	Confident	67.3	Low	120 Å²	120	62.4 Å²	62.4	59%	0.591	35%	0.346	S	S	*	.	H	α-helix	trans	-63.9	-43.3	174.6	-72.4	-56.1	-54.3	0	0	112.4	L297 S298 A299 S305	L297-M301 WeakPolarHBondContact O-CG 2.91Å; L297-M301 PolarHBondContact O-N 3.42Å; S298-M301 PolarHBondContact O-N 3.36Å; A299-M301 VanDerWaalsContact C-N 3.34Å; A299-M301 PolarHBondContact O-N 3.05Å; M301-S305 WeakPolarHBondContact O-CB 3.39Å; M301-S305 PolarHBondContact O-N 3.27Å; M301-S305 PolarHBondContact O-OG 3.32Å
302	I	76.3	Confident	67.2	Low	19 Å²	19	64.7 Å²	64.7	10%	0.097	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-53.2	176.9	-70.6	164.9	0	0	0	110.1	S298 A299 N304 S305 M306 Y329 F362 L364 L369	S298-I302 VanDerWaalsContact O-CG1 3.29Å; S298-I302 WeakPolarHBondContact O-CG1 3.49Å; S298-I302 PolarHBondContact O-N 2.86Å; A299-I302 PolarHBondContact O-N 3.1Å; I302-N304 PolarHBondContact O-N 3.29Å; I302-S305 PolarHBondContact O-N 3.05Å; I302-S305 PolarHBondContact O-OG 3.4Å; I302-M306 HydrophobicContact CG2-CE 3.31Å; I302-M306 HydrophobicContact CG2-SD 3.93Å; I302-M306 WeakPolarHBondContact O-CG 3.47Å; I302-M306 PolarHBondContact O-N 2.95Å; I302-M306 VanDerWaalsContact O-N 3.09Å; I302-Y329 HydrophobicContact CG1-CE1 4.4Å; I302-Y329 HydrophobicContact CG2-CE1 4.43Å; I302-F362 HydrophobicContact CD1-CZ 4.43Å; I302-L364 HydrophobicContact CD1-CD1 3.64Å; I302-L369 HydrophobicContact CG2-CD1 4.32Å; I302-L369 HydrophobicContact CG2-CD2 4.49Å
303	V	76.2	Confident	66.8	Low	6 Å²	6	69 Å²	69	4%	0.036	37%	0.368	C	S	.	.	H	α-helix	trans	-56.2	-50.4	177.8	167.4	0	0	0	0	111.8	A299 S305 M306 I307 F322 L369 V372 K373	A299-V303 WeakPolarHBondContact O-CB 3.28Å; A299-V303 WeakPolarHBondContact O-CG2 3.41Å; A299-V303 PolarHBondContact O-N 3.24Å; V303-S305 VanDerWaalsContact C-N 3.31Å; V303-S305 PolarHBondContact O-N 3.05Å; V303-M306 PolarHBondContact O-N 2.83Å; V303-M306 VanDerWaalsContact O-N 3.16Å; V303-I307 HydrophobicContact CG1-CD1 3.8Å; V303-I307 WeakPolarHBondContact O-CG1 2.94Å; V303-I307 PolarHBondContact O-N 3.17Å; V303-I307 VanDerWaalsContact O-N 3.09Å; V303-F322 HydrophobicContact CG2-CE2 4.35Å; V303-F322 HydrophobicContact CG2-CZ 3.98Å; V303-L369 WeakPolarHBondContact CG2-O 3.49Å; V303-V372 HydrophobicContact CG2-CG1 4.31Å; V303-K373 HydrophobicContact CG1-CB 3.76Å; V303-K373 HydrophobicContact CG1-CG 4.03Å; V303-K373 HydrophobicContact CG2-CB 4.03Å
304	N	72.2	Confident	65.6	Low	55 Å²	55	67.6 Å²	67.6	29%	0.294	38%	0.383	S	S	.	.	H	α-helix	trans	-58.9	-43.5	178.9	-78.3	14	0	0	0	111.4	R300 I302 M306 I307 S308	R300-N304 VanDerWaalsContact O-CB 3.32Å; R300-N304 WeakPolarHBondContact O-CB 3.35Å; R300-N304 VanDerWaalsContact O-CG 3.28Å; R300-N304 PolarHBondContact O-N 3.49Å; R300-N304 PolarHBondContact O-OD1 3.35Å; I302-N304 PolarHBondContact O-N 3.29Å; N304-M306 VanDerWaalsContact C-N 3.28Å; N304-M306 PolarHBondContact O-N 3.44Å; N304-I307 PolarHBondContact O-N 3.12Å; N304-S308 PolarHBondContact O-N 2.81Å; N304-S308 PolarHBondContact O-OG 3.08Å
305	S	70.1	Confident	64.2	Low	37 Å²	37	63.6 Å²	63.6	26%	0.259	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-29.3	179.3	72.4	0	0	0	0	113.5	M301 I302 V303 V309 Y329	M301-S305 WeakPolarHBondContact O-CB 3.39Å; M301-S305 PolarHBondContact O-N 3.27Å; M301-S305 PolarHBondContact O-OG 3.32Å; I302-S305 PolarHBondContact O-N 3.05Å; I302-S305 PolarHBondContact O-OG 3.4Å; V303-S305 VanDerWaalsContact C-N 3.31Å; V303-S305 PolarHBondContact O-N 3.05Å; S305-V309 WeakPolarHBondContact O-CG2 3.46Å; S305-V309 PolarHBondContact O-N 2.78Å; S305-Y329 WeakPolarHBondContact OG-CE2 3.4Å
306	M	70.1	Confident	62.8	Low	4 Å²	4	65.5 Å²	65.5	2%	0.02	40%	0.404	C	S	.	.	H	α-helix	trans	-73	-42.9	174.4	-69.2	162.8	-178.6	0	0	111.9	I302 V303 N304 S308 V309 S310 F322 L326 Y329	I302-M306 HydrophobicContact CG2-CE 3.31Å; I302-M306 HydrophobicContact CG2-SD 3.93Å; I302-M306 WeakPolarHBondContact O-CG 3.47Å; I302-M306 PolarHBondContact O-N 2.95Å; I302-M306 VanDerWaalsContact O-N 3.09Å; V303-M306 PolarHBondContact O-N 2.83Å; V303-M306 VanDerWaalsContact O-N 3.16Å; N304-M306 VanDerWaalsContact C-N 3.28Å; N304-M306 PolarHBondContact O-N 3.44Å; M306-S308 VanDerWaalsContact C-N 3.3Å; M306-S308 PolarHBondContact O-N 3.34Å; M306-V309 PolarHBondContact O-N 3.07Å; M306-S310 PolarHBondContact O-N 2.98Å; M306-S310 PolarHBondContact O-OG 3.04Å; M306-F322 HydrophobicContact SD-CD2 4.42Å; M306-F322 HydrophobicContact SD-CE2 3.59Å; M306-F322 VanDerWaalsContact SD-CE2 3.59Å; M306-F322 HydrophobicContact SD-CZ 4.06Å; M306-L326 HydrophobicContact CE-CB 4.3Å; M306-L326 HydrophobicContact CE-CD1 3.69Å; M306-Y329 VanDerWaalsContact CE-CB 3.43Å; M306-Y329 HydrophobicContact CE-CD1 3.76Å; M306-Y329 HydrophobicContact CE-CD2 3.87Å; M306-Y329 HydrophobicContact CE-CE1 4.45Å; M306-Y329 HydrophobicContact CE-CG 3.42Å; M306-Y329 VanDerWaalsContact CE-CG 3.42Å; M306-Y329 HydrophobicContact CG-CD2 4.3Å
307	I	68.1	Low	61.3	Low	47 Å²	47	71.9 Å²	71.9	24%	0.241	44%	0.438	C	S	.	.	H	α-helix	trans	-61.8	-39.3	177.3	-65.2	166.7	0	0	0	110.8	V303 N304 S310 N311	V303-I307 HydrophobicContact CG1-CD1 3.8Å; V303-I307 WeakPolarHBondContact O-CG1 2.94Å; V303-I307 PolarHBondContact O-N 3.17Å; V303-I307 VanDerWaalsContact O-N 3.09Å; N304-I307 PolarHBondContact O-N 3.12Å; I307-S310 WeakPolarHBondContact CA-OG 3.36Å; I307-S310 PolarHBondContact O-N 3.14Å; I307-S310 PolarHBondContact O-OG 3.43Å; I307-N311 PolarHBondContact O-OD1 3.39Å
308	S	61.1	Low	60.1	Low	75 Å²	75	76.3 Å²	76.3	52%	0.524	46%	0.457	S	S	.	.	H	α-helix	trans	-62.7	-43.5	174.4	-62.3	0	0	0	0	112.8	N304 M306 S310 N311	N304-S308 PolarHBondContact O-N 2.81Å; N304-S308 PolarHBondContact O-OG 3.08Å; M306-S308 VanDerWaalsContact C-N 3.3Å; M306-S308 PolarHBondContact O-N 3.34Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S308-S310 PolarHBondContact O-N 3.39Å; S308-N311 PolarHBondContact O-N 2.93Å
309	V	60.4	Low	59.1	Low	52 Å²	52	80.1 Å²	80.1	32%	0.315	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-39.4	179.9	169.1	0	0	0	0	111.7	S305 M306 N311 E312	S305-V309 WeakPolarHBondContact O-CG2 3.46Å; S305-V309 PolarHBondContact O-N 2.78Å; M306-V309 PolarHBondContact O-N 3.07Å; V309-N311 PolarHBondContact O-N 3.05Å; V309-N311 VanDerWaalsContact O-N 3.12Å; V309-E312 PolarHBondContact O-N 3.03Å
310	S	57	Low	58.2	Low	59 Å²	59	84.3 Å²	84.3	41%	0.413	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.3	178.1	46.2	0	0	0	0	115.3	M306 I307 S308	M306-S310 PolarHBondContact O-N 2.98Å; M306-S310 PolarHBondContact O-OG 3.04Å; I307-S310 WeakPolarHBondContact CA-OG 3.36Å; I307-S310 PolarHBondContact O-N 3.14Å; I307-S310 PolarHBondContact O-OG 3.43Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S308-S310 PolarHBondContact O-N 3.39Å
311	N	53.4	Low	57.8	Low	125 Å²	125	83.1 Å²	83.1	67%	0.668	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-11.7	-178.3	-71.4	5.9	0	0	0	114.2	I307 S308 V309	I307-N311 PolarHBondContact O-OD1 3.39Å; S308-N311 PolarHBondContact O-N 2.93Å; V309-N311 PolarHBondContact O-N 3.05Å; V309-N311 VanDerWaalsContact O-N 3.12Å
312	E	54.7	Low	57.3	Low	175 Å²	175	78.1 Å²	78.1	82%	0.818	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-31	-177.5	-61.9	-168.1	154.3	0	0	112.9	V309 G314	V309-E312 PolarHBondContact O-N 3.03Å; E312-G314 PolarHBondContact O-N 3.36Å; E312-G314 VanDerWaalsContact O-N 3.1Å
313	D	50.4	Low	56.8	Low	137 Å²	137	81.2 Å²	81.2	73%	0.733	51%	0.509	S	S	*	.			trans	-83.6	77.8	176.8	-78	-42.3	0	0	0	111.9	G315	D313-G315 PolarHBondContact O-N 3.41Å
314	G	39.1	Very low	56.4	Low	89 Å²	89	83.5 Å²	83.5	92%	0.918	53%	0.525	S	S	*	.			trans	-68.8	44.6	179.6	0	0	0	0	0	116.4	E312	E312-G314 PolarHBondContact O-N 3.36Å; E312-G314 VanDerWaalsContact O-N 3.1Å
315	G	37	Very low	56.2	Low	55 Å²	55	82.5 Å²	82.5	57%	0.567	52%	0.52	S	S	*	.			trans	-100.4	136.2	176.1	0	0	0	0	0	112.7	D313 N317	D313-G315 PolarHBondContact O-N 3.41Å; G315-N317 PolarHBondContact O-N 3.34Å
316	A	37.4	Very low	56.2	Low	109 Å²	109	81.1 Å²	81.1	90%	0.901	51%	0.51	S	S	*	.			trans	-78.1	46.4	-169.7	0	0	0	0	0	115.5
317	N	39.2	Very low	56.2	Low	153 Å²	153	87.3 Å²	87.3	82%	0.818	54%	0.536	S	S	*	.			trans	-103.8	167.3	177.5	-67.2	-23.1	0	0	0	111.5	G315	G315-N317 PolarHBondContact O-N 3.34Å
318	E	44.5	Very low	56.3	Low	173 Å²	173	89.1 Å²	89.1	81%	0.808	55%	0.547	S	S	*	.			trans	-51.7	150.6	-173	-73.3	-172.2	106.5	0	0	115	T320	E318-T320 PolarHBondContact O-N 2.92Å
319	P	51	Low	56.7	Low	128 Å²	128	87.9 Å²	87.9	83%	0.831	53%	0.531	S	S	*	.			trans	-62.6	98.1	172.8	28	-35.1	0	0	0	110.2	G321	P319-G321 PolarHBondContact O-N 3.5Å
320	T	55.5	Low	57.3	Low	87 Å²	87	87 Å²	87	53%	0.534	52%	0.524	S	S	.	.			trans	-58.3	112.2	-179.5	38.7	0	0	0	0	110	E318	E318-T320 PolarHBondContact O-N 2.92Å
321	G	64	Low	57.9	Low	40 Å²	40	88.2 Å²	88.2	41%	0.412	53%	0.526	S	S	.	.			trans	-54.1	146.8	-174.8	0	0	0	0	0	111.9	P319 V323 S324 L325	P319-G321 PolarHBondContact O-N 3.5Å; G321-V323 PolarHBondContact O-N 3.41Å; G321-V323 VanDerWaalsContact O-N 3.07Å; G321-S324 WeakPolarHBondContact O-CA 3.48Å; G321-S324 WeakPolarHBondContact O-CB 3.35Å; G321-S324 PolarHBondContact O-N 3.36Å; G321-L325 PolarHBondContact O-N 2.86Å; G321-L325 VanDerWaalsContact O-N 3.15Å
322	F	66	Low	58.8	Low	15 Å²	15	89.3 Å²	89.3	7%	0.066	52%	0.52	C	S	.	.	H	α-helix	trans	-55.5	-33.9	-174.7	-179.9	-110.1	0	0	0	112.8	V303 M306 S324 L325 L326 L369 E370 K373	V303-F322 HydrophobicContact CG2-CE2 4.35Å; V303-F322 HydrophobicContact CG2-CZ 3.98Å; M306-F322 HydrophobicContact SD-CD2 4.42Å; M306-F322 HydrophobicContact SD-CE2 3.59Å; M306-F322 VanDerWaalsContact SD-CE2 3.59Å; M306-F322 HydrophobicContact SD-CZ 4.06Å; F322-S324 VanDerWaalsContact C-N 3.32Å; F322-S324 PolarHBondContact O-N 2.94Å; F322-L325 PolarHBondContact O-N 2.92Å; F322-L326 WeakPolarHBondContact O-CB 3.45Å; F322-L326 PolarHBondContact O-N 3.12Å; F322-L369 HydrophobicContact CE1-CB 3.78Å; F322-L369 HydrophobicContact CZ-CB 3.89Å; F322-E370 HydrophobicContact CD1-CB 3.92Å; F322-E370 HydrophobicContact CD1-CG 4.32Å; F322-E370 HydrophobicContact CE1-CB 4Å; F322-K373 HydrophobicContact CD1-CD 4.48Å; F322-K373 HydrophobicContact CD2-CD 3.77Å; F322-K373 HydrophobicContact CE2-CD 4.04Å; F322-K373 HydrophobicContact CG-CD 4.01Å
323	V	65.7	Low	59.4	Low	84 Å²	84	84.7 Å²	84.7	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-37	173.4	-171.7	0	0	0	0	112.5	G321 K327	G321-V323 PolarHBondContact O-N 3.41Å; G321-V323 VanDerWaalsContact O-N 3.07Å; V323-K327 VanDerWaalsContact O-CB 3.23Å; V323-K327 WeakPolarHBondContact O-CB 3.48Å; V323-K327 PolarHBondContact O-N 2.92Å
324	S	67.3	Low	60.4	Low	55 Å²	55	85.5 Å²	85.5	39%	0.385	50%	0.495	S	S	.	.	H	α-helix	trans	-71.4	-49.4	175.7	-56.9	0	0	0	0	111.1	G321 F322 L326 K327 D328	G321-S324 WeakPolarHBondContact O-CA 3.48Å; G321-S324 WeakPolarHBondContact O-CB 3.35Å; G321-S324 PolarHBondContact O-N 3.36Å; F322-S324 VanDerWaalsContact C-N 3.32Å; F322-S324 PolarHBondContact O-N 2.94Å; S324-L326 PolarHBondContact O-N 2.99Å; S324-K327 WeakPolarHBondContact O-CB 3.35Å; S324-K327 PolarHBondContact O-N 3.35Å; S324-K327 VanDerWaalsContact O-N 3.08Å; S324-D328 PolarHBondContact O-N 3.48Å
325	L	68.4	Low	62.2	Low	33 Å²	33	84 Å²	84	17%	0.173	47%	0.466	C	S	.	.	H	α-helix	trans	-58.5	-38.3	175.4	-68.2	174.3	0	0	0	112	G321 F322 Y329	G321-L325 PolarHBondContact O-N 2.86Å; G321-L325 VanDerWaalsContact O-N 3.15Å; F322-L325 PolarHBondContact O-N 2.92Å; L325-Y329 WeakPolarHBondContact O-CB 3.49Å; L325-Y329 PolarHBondContact O-N 2.89Å
326	L	69.5	Low	64.2	Low	9 Å²	9	87.5 Å²	87.5	5%	0.047	47%	0.468	C	S	.	.	H	α-helix	trans	-63.7	-49.3	172.3	177	60.3	0	0	0	111.8	M306 F322 S324 D328 Y329 L330 L369	M306-L326 HydrophobicContact CE-CB 4.3Å; M306-L326 HydrophobicContact CE-CD1 3.69Å; F322-L326 WeakPolarHBondContact O-CB 3.45Å; F322-L326 PolarHBondContact O-N 3.12Å; S324-L326 PolarHBondContact O-N 2.99Å; L326-D328 VanDerWaalsContact C-N 3.32Å; L326-D328 PolarHBondContact O-N 2.9Å; L326-Y329 PolarHBondContact O-N 3.46Å; L326-L330 HydrophobicContact CD1-CD1 3.65Å; L326-L330 HydrophobicContact CD1-CG 3.97Å; L326-L330 HydrophobicContact CG-CD1 3.87Å; L326-L330 WeakPolarHBondContact O-CB 3.39Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 2.97Å; L326-L369 HydrophobicContact CD1-CD1 3.43Å; L326-L369 VanDerWaalsContact CD1-CD1 3.43Å; L326-L369 HydrophobicContact CD2-CD1 3.89Å; L326-L369 HydrophobicContact CG-CD1 4.33Å
327	K	70.2	Confident	66.2	Low	134 Å²	134	84.6 Å²	84.6	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-57.9	-44.2	177.3	-179.8	-179.2	176.2	-170.4	0	111.5	V323 S324 L330 N331	V323-K327 VanDerWaalsContact O-CB 3.23Å; V323-K327 WeakPolarHBondContact O-CB 3.48Å; V323-K327 PolarHBondContact O-N 2.92Å; S324-K327 WeakPolarHBondContact O-CB 3.35Å; S324-K327 PolarHBondContact O-N 3.35Å; S324-K327 VanDerWaalsContact O-N 3.08Å; K327-L330 PolarHBondContact O-N 3.47Å; K327-N331 VanDerWaalsContact O-CB 3.25Å; K327-N331 WeakPolarHBondContact O-CB 3.26Å; K327-N331 PolarHBondContact O-N 2.82Å; K327-N331 PolarHBondContact O-ND2 3.27Å; K327-N331 VanDerWaalsContact O-ND2 3.16Å
328	D	71.2	Confident	68.2	Low	85 Å²	85	81 Å²	81	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-77.9	-27.6	-177.5	-61.8	-26	0	0	0	112.7	S324 L326 R332	S324-D328 PolarHBondContact O-N 3.48Å; L326-D328 VanDerWaalsContact C-N 3.32Å; L326-D328 PolarHBondContact O-N 2.9Å; D328-R332 WeakPolarHBondContact O-CG 3.29Å; D328-R332 PolarHBondContact O-N 3.23Å; D328-R332 PolarHBondContact O-NE 2.85Å
329	Y	69.6	Low	69.7	Low	48 Å²	48	75.9 Å²	75.9	19%	0.188	40%	0.4	C	S	.	.	H	α-helix	trans	-65.2	-47.5	165.6	-173.4	-84.3	0	0	0	112	I302 S305 M306 L325 L326 N331 R332 Y333	I302-Y329 HydrophobicContact CG1-CE1 4.4Å; I302-Y329 HydrophobicContact CG2-CE1 4.43Å; S305-Y329 WeakPolarHBondContact OG-CE2 3.4Å; M306-Y329 VanDerWaalsContact CE-CB 3.43Å; M306-Y329 HydrophobicContact CE-CD1 3.76Å; M306-Y329 HydrophobicContact CE-CD2 3.87Å; M306-Y329 HydrophobicContact CE-CE1 4.45Å; M306-Y329 HydrophobicContact CE-CG 3.42Å; M306-Y329 VanDerWaalsContact CE-CG 3.42Å; M306-Y329 HydrophobicContact CG-CD2 4.3Å; L325-Y329 WeakPolarHBondContact O-CB 3.49Å; L325-Y329 PolarHBondContact O-N 2.89Å; L326-Y329 PolarHBondContact O-N 3.46Å; Y329-N331 VanDerWaalsContact C-N 3.33Å; Y329-N331 PolarHBondContact O-N 3.19Å; Y329-R332 PolarHBondContact O-N 3.11Å; Y329-Y333 HydrophobicContact CD1-CE2 4.37Å; Y329-Y333 HydrophobicContact CE1-CE2 4.06Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.39Å
330	L	72.5	Confident	71	Confident	34 Å²	34	74.9 Å²	74.9	18%	0.178	39%	0.386	C	S	.	.	H	α-helix	trans	-71.4	-27.3	180	-64.2	171.5	0	0	0	112.7	L326 K327 W355 F362	L326-L330 HydrophobicContact CD1-CD1 3.65Å; L326-L330 HydrophobicContact CD1-CG 3.97Å; L326-L330 HydrophobicContact CG-CD1 3.87Å; L326-L330 WeakPolarHBondContact O-CB 3.39Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 2.97Å; K327-L330 PolarHBondContact O-N 3.47Å; L330-W355 HydrophobicContact CB-CZ2 4.2Å; L330-W355 HydrophobicContact CD2-CH2 3.53Å; L330-W355 HydrophobicContact CD2-CZ2 3.6Å; L330-W355 HydrophobicContact CG-CZ2 4.48Å; L330-W355 PolarHBondContact O-NE1 3.5Å; L330-F362 HydrophobicContact CD1-CE1 4.17Å; L330-F362 HydrophobicContact CD2-CE1 3.97Å; L330-F362 HydrophobicContact CD2-CE2 4.1Å; L330-F362 HydrophobicContact CD2-CZ 3.62Å
331	N	70.4	Confident	72.4	Confident	84 Å²	84	76.8 Å²	76.8	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-78.3	-18.2	174.4	-73.3	-23.5	0	0	0	113.8	K327 Y329 Y333	K327-N331 VanDerWaalsContact O-CB 3.25Å; K327-N331 WeakPolarHBondContact O-CB 3.26Å; K327-N331 PolarHBondContact O-N 2.82Å; K327-N331 PolarHBondContact O-ND2 3.27Å; K327-N331 VanDerWaalsContact O-ND2 3.16Å; Y329-N331 VanDerWaalsContact C-N 3.33Å; Y329-N331 PolarHBondContact O-N 3.19Å; N331-Y333 PolarHBondContact O-N 2.88Å
332	R	70.6	Confident	73.4	Confident	148 Å²	148	77.5 Å²	77.5	56%	0.558	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.6	173.2	-88.4	178.3	-78.9	-173	-4.5	113.3	D328 Y329	D328-R332 WeakPolarHBondContact O-CG 3.29Å; D328-R332 PolarHBondContact O-N 3.23Å; D328-R332 PolarHBondContact O-NE 2.85Å; Y329-R332 PolarHBondContact O-N 3.11Å
333	Y	68.8	Low	74.4	Confident	78 Å²	78	81.8 Å²	81.8	31%	0.306	41%	0.405	S	S	.	.	S	Bend	trans	-93.4	108.4	170.4	-64	-87.1	0	0	0	109.7	Y329 N331 T337 I339 W355	Y329-Y333 HydrophobicContact CD1-CE2 4.37Å; Y329-Y333 HydrophobicContact CE1-CE2 4.06Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.39Å; N331-Y333 PolarHBondContact O-N 2.88Å; Y333-T337 HydrophobicContact CD1-CG2 3.94Å; Y333-I339 HydrophobicContact CD1-CG2 4.05Å; Y333-I339 HydrophobicContact CE1-CG2 4.25Å; Y333-W355 VanDerWaalsContact CB-CG 3.49Å; Y333-W355 HydrophobicContact CG-CD2 4.19Å; Y333-W355 HydrophobicContact CG-CG 4.34Å
334	E	71.4	Confident	75.3	Confident	154 Å²	154	81.3 Å²	81.3	72%	0.72	40%	0.396	S	S	*	.			trans	-61	148.7	164	-61.9	-176	177.8	0	0	109.3	E336 T337	E334-E336 PolarHBondContact O-N 2.95Å; E334-E336 VanDerWaalsContact O-N 3.1Å; E334-T337 PolarHBondContact N-OG1 2.75Å; E334-T337 WeakPolarHBondContact O-CB 3.46Å; E334-T337 PolarHBondContact O-N 3.11Å; E334-T337 PolarHBondContact O-OG1 3.05Å
335	D	76.8	Confident	75.8	Confident	57 Å²	57	83.6 Å²	83.6	31%	0.305	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-37.1	-176.1	-93	14.9	0	0	0	112.8	T337 W355 K356 R359	D335-T337 VanDerWaalsContact C-N 3.31Å; D335-T337 PolarHBondContact O-N 2.88Å; D335-W355 PolarHBondContact O-N 3.46Å; D335-K356 HydrophobicContact CB-CB 4.04Å; D335-K356 HydrophobicContact CB-CD 4.32Å; D335-K356 HydrophobicContact CB-CG 4.34Å; D335-K356 VanDerWaalsContact O-CB 3.23Å; D335-K356 WeakPolarHBondContact O-CB 3.41Å; D335-K356 PolarHBondContact O-N 2.88Å; D335-R359 IonicContact OD1-CZ 2.74Å; D335-R359 IonicContact OD1-NH1 3.73Å; D335-R359 PolarHBondContact OD1-NH1 2.9Å
336	E	78.5	Confident	76.2	Confident	130 Å²	130	90.4 Å²	90.4	61%	0.607	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	1.4	-179.4	-53.1	-59.8	140.3	0	0	113.8	E334 V338 K356	E334-E336 PolarHBondContact O-N 2.95Å; E334-E336 VanDerWaalsContact O-N 3.1Å; E336-V338 PolarHBondContact O-N 2.84Å; E336-K356 IonicContact OE1-NZ 2.76Å; E336-K356 PolarHBondContact OE1-NZ 2.78Å
337	T	78.9	Confident	76.9	Confident	47 Å²	47	95.6 Å²	95.6	29%	0.288	47%	0.468	S	S	.	.			trans	-63.9	118.8	179.9	-51.3	0	0	0	0	110.2	Y333 E334 D335 I339 S354 W355	Y333-T337 HydrophobicContact CD1-CG2 3.94Å; E334-T337 PolarHBondContact N-OG1 2.75Å; E334-T337 WeakPolarHBondContact O-CB 3.46Å; E334-T337 PolarHBondContact O-N 3.11Å; E334-T337 PolarHBondContact O-OG1 3.05Å; D335-T337 VanDerWaalsContact C-N 3.31Å; D335-T337 PolarHBondContact O-N 2.88Å; T337-I339 PolarHBondContact O-N 2.76Å; T337-S354 CarbonylContact O-C 3.46Å; T337-S354 VanDerWaalsContact O-CA 3.29Å; T337-S354 WeakPolarHBondContact O-CA 3.42Å; T337-W355 PolarHBondContact O-N 3.44Å
338	V	81.4	Confident	77.3	Confident	79 Å²	79	95.8 Å²	95.8	48%	0.479	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	112.8	174.6	178.9	0	0	0	0	109.3	E336 M340 E341 K353	E336-V338 PolarHBondContact O-N 2.84Å; V338-M340 WeakPolarHBondContact CG1-O 3.37Å; V338-E341 HydrophobicContact CG1-CB 4.45Å; V338-K353 CarbonylContact C-O 3.47Å; V338-K353 WeakPolarHBondContact CA-O 3.43Å
339	I	75.2	Confident	77.8	Confident	65 Å²	65	94.7 Å²	94.7	33%	0.333	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-15.3	-179.4	69.4	172.8	0	0	0	113.1	Y333 T337 K353 W355 F358	Y333-I339 HydrophobicContact CD1-CG2 4.05Å; Y333-I339 HydrophobicContact CE1-CG2 4.25Å; T337-I339 PolarHBondContact O-N 2.76Å; I339-K353 PolarHBondContact N-O 3.25Å; I339-W355 HydrophobicContact CD1-CE3 4.14Å; I339-W355 HydrophobicContact CG2-CB 4.2Å; I339-W355 HydrophobicContact CG2-CE3 4.27Å; I339-F358 HydrophobicContact CD1-CB 4.06Å; I339-F358 HydrophobicContact CD1-CD2 3.5Å; I339-F358 HydrophobicContact CD1-CE2 4.03Å; I339-F358 HydrophobicContact CD1-CG 3.77Å; I339-F358 HydrophobicContact CG1-CD2 4.28Å
340	M	79.3	Confident	78.6	Confident	106 Å²	106	95.6 Å²	95.6	52%	0.522	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	136.4	174.4	179.3	177.2	-74.2	0	0	109.9	V338 V342 S352 K353	V338-M340 WeakPolarHBondContact CG1-O 3.37Å; M340-V342 HydrophobicContact CG-CG2 3.84Å; M340-V342 HydrophobicContact SD-CG2 3.85Å; M340-S352 CarbonylContact O-C 3.52Å; M340-S352 WeakPolarHBondContact O-CA 3.43Å; M340-K353 HydrophobicContact CB-CB 4.46Å; M340-K353 PolarHBondContact N-O 3.43Å; M340-K353 PolarHBondContact O-N 2.76Å
341	E	85.1	Confident	79.2	Confident	127 Å²	127	100 Å²	100	59%	0.593	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.6	170	-170.9	-178.8	140.6	0	0	108.4	V338 V350	V338-E341 HydrophobicContact CG1-CB 4.45Å; E341-V350 HydrophobicContact CG-CG1 3.44Å; E341-V350 VanDerWaalsContact CG-CG1 3.44Å; E341-V350 WeakPolarHBondContact OE1-CG1 3.33Å
342	V	84.6	Confident	79.9	Confident	56 Å²	56	99.3 Å²	99.3	34%	0.339	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113	179.6	-171.1	0	0	0	0	109.1	M340 F344 K351	M340-V342 HydrophobicContact CG-CG2 3.84Å; M340-V342 HydrophobicContact SD-CG2 3.85Å; V342-F344 HydrophobicContact CB-CE2 3.79Å; V342-F344 HydrophobicContact CB-CZ 4.2Å; V342-F344 HydrophobicContact CG1-CD2 4.17Å; V342-F344 HydrophobicContact CG1-CE1 4.24Å; V342-F344 HydrophobicContact CG1-CE2 3.48Å; V342-F344 VanDerWaalsContact CG1-CE2 3.48Å; V342-F344 HydrophobicContact CG1-CZ 3.52Å; V342-F344 WeakPolarHBondContact O-CD2 3.29Å; V342-K351 PolarHBondContact N-O 2.89Å; V342-K351 PolarHBondContact O-N 3.2Å
343	H	87.5	Confident	80.4	Confident	105 Å²	105	96.7 Å²	96.7	49%	0.486	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125	175.6	-158.8	-62.9	0	0	0	109.6	P345	H343-P345 WeakPolarHBondContact O-CD 3.5Å
344	F	84.1	Confident	81.1	Confident	74 Å²	74	93.9 Å²	93.9	33%	0.325	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	91.7	178.1	-67.5	-92.2	0	0	0	109.3	V342 H346 D347 D348 V349 K351	V342-F344 HydrophobicContact CB-CE2 3.79Å; V342-F344 HydrophobicContact CB-CZ 4.2Å; V342-F344 HydrophobicContact CG1-CD2 4.17Å; V342-F344 HydrophobicContact CG1-CE1 4.24Å; V342-F344 HydrophobicContact CG1-CE2 3.48Å; V342-F344 VanDerWaalsContact CG1-CE2 3.48Å; V342-F344 HydrophobicContact CG1-CZ 3.52Å; V342-F344 WeakPolarHBondContact O-CD2 3.29Å; F344-H346 PolarHBondContact O-N 3.5Å; F344-D347 PolarHBondContact O-N 3.25Å; F344-D347 VanDerWaalsContact O-N 3.11Å; F344-D348 PolarHBondContact O-N 3.26Å; F344-D348 VanDerWaalsContact O-N 3.13Å; F344-V349 HydrophobicContact CB-CB 4.48Å; F344-V349 WeakPolarHBondContact CB-O 3.38Å; F344-V349 WeakPolarHBondContact CD2-O 3.18Å; F344-V349 PolarHBondContact N-O 2.97Å; F344-K351 HydrophobicContact CD2-CD 4.36Å; F344-K351 HydrophobicContact CD2-CG 4.24Å; F344-K351 HydrophobicContact CE2-CB 4.07Å; F344-K351 HydrophobicContact CE2-CD 3.7Å; F344-K351 HydrophobicContact CE2-CG 3.84Å; F344-K351 HydrophobicContact CZ-CD 4.31Å
345	P	77	Confident	81.3	Confident	102 Å²	102	87.5 Å²	87.5	66%	0.662	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-2.9	-168.4	30.6	-38.7	0	0	0	115	H343	H343-P345 WeakPolarHBondContact O-CD 3.5Å
346	H	78.8	Confident	81.3	Confident	176 Å²	176	89.8 Å²	89.8	82%	0.815	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-24.8	174.3	-64.3	-55.3	0	0	0	113.2	F344	F344-H346 PolarHBondContact O-N 3.5Å
347	D	82.4	Confident	80.9	Confident	118 Å²	118	86.4 Å²	86.4	63%	0.631	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-6.1	-173.7	-51.7	-52.3	0	0	0	112.8	F344 V349	F344-D347 PolarHBondContact O-N 3.25Å; F344-D347 VanDerWaalsContact O-N 3.11Å; D347-V349 HydrophobicContact CB-CB 4.32Å; D347-V349 HydrophobicContact CB-CG2 3.86Å; D347-V349 PolarHBondContact O-N 2.91Å
348	D	79.9	Confident	80.3	Confident	139 Å²	139	88.2 Å²	88.2	74%	0.743	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	25.2	-170.6	-142.7	29.4	0	0	0	113.6	F344	F344-D348 PolarHBondContact O-N 3.26Å; F344-D348 VanDerWaalsContact O-N 3.13Å
349	V	81.3	Confident	79.6	Confident	61 Å²	61	90.7 Å²	90.7	37%	0.37	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128	179.5	177.3	0	0	0	0	110.3	F344 D347 K351	F344-V349 HydrophobicContact CB-CB 4.48Å; F344-V349 WeakPolarHBondContact CB-O 3.38Å; F344-V349 WeakPolarHBondContact CD2-O 3.18Å; F344-V349 PolarHBondContact N-O 2.97Å; D347-V349 HydrophobicContact CB-CB 4.32Å; D347-V349 HydrophobicContact CB-CG2 3.86Å; D347-V349 PolarHBondContact O-N 2.91Å; V349-K351 HydrophobicContact CG1-CG 3.88Å
350	V	86.1	Confident	78.7	Confident	68 Å²	68	92.5 Å²	92.5	41%	0.412	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.7	165.4	179.2	0	0	0	0	108.8	E341	E341-V350 HydrophobicContact CG-CG1 3.44Å; E341-V350 VanDerWaalsContact CG-CG1 3.44Å; E341-V350 WeakPolarHBondContact OE1-CG1 3.33Å
351	K	84.4	Confident	77.5	Confident	126 Å²	126	91.6 Å²	91.6	55%	0.548	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	107	170.8	-60.8	-174.9	-176.8	167.6	0	109.4	V342 F344 V349	V342-K351 PolarHBondContact N-O 2.89Å; V342-K351 PolarHBondContact O-N 3.2Å; F344-K351 HydrophobicContact CD2-CD 4.36Å; F344-K351 HydrophobicContact CD2-CG 4.24Å; F344-K351 HydrophobicContact CE2-CB 4.07Å; F344-K351 HydrophobicContact CE2-CD 3.7Å; F344-K351 HydrophobicContact CE2-CG 3.84Å; F344-K351 HydrophobicContact CZ-CD 4.31Å; V349-K351 HydrophobicContact CG1-CG 3.88Å
352	S	85.6	Confident	76.4	Confident	70 Å²	70	88.5 Å²	88.5	49%	0.49	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	157.1	170.5	53.3	0	0	0	0	111.6	M340	M340-S352 CarbonylContact O-C 3.52Å; M340-S352 WeakPolarHBondContact O-CA 3.43Å
353	K	81	Confident	75.3	Confident	93 Å²	93	88 Å²	88	40%	0.404	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.9	169.1	-84.4	-73	168.9	-179	0	110.5	V338 I339 M340 D357 F358	V338-K353 CarbonylContact C-O 3.47Å; V338-K353 WeakPolarHBondContact CA-O 3.43Å; I339-K353 PolarHBondContact N-O 3.25Å; M340-K353 HydrophobicContact CB-CB 4.46Å; M340-K353 PolarHBondContact N-O 3.43Å; M340-K353 PolarHBondContact O-N 2.76Å; K353-D357 HydrophobicContact CD-CB 3.66Å; K353-D357 IonicContact NZ-OD1 3.85Å; K353-D357 PolarHBondContact NZ-OD1 3.34Å; K353-F358 HydrophobicContact CB-CE2 3.95Å; K353-F358 HydrophobicContact CD-CE2 4.23Å; K353-F358 HydrophobicContact CG-CE2 4.16Å
354	S	83	Confident	74.2	Confident	18 Å²	18	83.6 Å²	83.6	13%	0.126	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	165.3	-179.8	68.5	0	0	0	0	112	T337 K356 D357	T337-S354 CarbonylContact O-C 3.46Å; T337-S354 VanDerWaalsContact O-CA 3.29Å; T337-S354 WeakPolarHBondContact O-CA 3.42Å; S354-K356 VanDerWaalsContact C-N 3.27Å; S354-K356 PolarHBondContact O-N 3.13Å; S354-D357 WeakPolarHBondContact CB-OD2 3.32Å; S354-D357 PolarHBondContact N-OD2 3.42Å; S354-D357 WeakPolarHBondContact O-CB 3.22Å; S354-D357 PolarHBondContact O-N 3.15Å; S354-D357 PolarHBondContact OG-N 3.25Å; S354-D357 PolarHBondContact OG-OD2 2.88Å
355	W	77.3	Confident	73.5	Confident	20 Å²	20	84.1 Å²	84.1	8%	0.076	44%	0.44	C	S	.	.	H	α-helix	trans	-60.3	-39.2	170.1	-179.2	-130.2	0	0	0	111.9	L330 Y333 D335 T337 I339 D357 F358 R359 F362	L330-W355 HydrophobicContact CB-CZ2 4.2Å; L330-W355 HydrophobicContact CD2-CH2 3.53Å; L330-W355 HydrophobicContact CD2-CZ2 3.6Å; L330-W355 HydrophobicContact CG-CZ2 4.48Å; L330-W355 PolarHBondContact O-NE1 3.5Å; Y333-W355 VanDerWaalsContact CB-CG 3.49Å; Y333-W355 HydrophobicContact CG-CD2 4.19Å; Y333-W355 HydrophobicContact CG-CG 4.34Å; D335-W355 PolarHBondContact O-N 3.46Å; T337-W355 PolarHBondContact O-N 3.44Å; I339-W355 HydrophobicContact CD1-CE3 4.14Å; I339-W355 HydrophobicContact CG2-CB 4.2Å; I339-W355 HydrophobicContact CG2-CE3 4.27Å; W355-D357 VanDerWaalsContact C-N 3.28Å; W355-D357 PolarHBondContact O-N 2.9Å; W355-F358 CarbonylContact O-C 3.58Å; W355-F358 WeakPolarHBondContact O-CA 3.35Å; W355-F358 PolarHBondContact O-N 2.81Å; W355-R359 PolarHBondContact O-N 2.81Å; W355-F362 AromaticContact CH2-CD2 3.95Å; W355-F362 HydrophobicContact CH2-CD2 3.95Å; W355-F362 AromaticContact CH2-CE2 3.9Å; W355-F362 HydrophobicContact CH2-CE2 3.9Å; W355-F362 HydrophobicContact CZ3-CD2 4.38Å; W355-F362 HydrophobicContact CZ3-CE2 4.4Å
356	K	76.7	Confident	73	Confident	105 Å²	105	81.1 Å²	81.1	46%	0.457	42%	0.422	S	S	.	.	H	α-helix	trans	-57.4	-33.5	175.6	-170.5	-173.2	-144.7	164.6	0	114	D335 E336 S354 F358	D335-K356 HydrophobicContact CB-CB 4.04Å; D335-K356 HydrophobicContact CB-CD 4.32Å; D335-K356 HydrophobicContact CB-CG 4.34Å; D335-K356 VanDerWaalsContact O-CB 3.23Å; D335-K356 WeakPolarHBondContact O-CB 3.41Å; D335-K356 PolarHBondContact O-N 2.88Å; E336-K356 IonicContact OE1-NZ 2.76Å; E336-K356 PolarHBondContact OE1-NZ 2.78Å; S354-K356 VanDerWaalsContact C-N 3.27Å; S354-K356 PolarHBondContact O-N 3.13Å; K356-F358 PolarHBondContact O-N 3.31Å
357	D	70	Confident	72.4	Confident	60 Å²	60	79.7 Å²	79.7	32%	0.321	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-28	172.8	-71.6	-87.1	0	0	0	112.9	K353 S354 W355 N361	K353-D357 HydrophobicContact CD-CB 3.66Å; K353-D357 IonicContact NZ-OD1 3.85Å; K353-D357 PolarHBondContact NZ-OD1 3.34Å; S354-D357 WeakPolarHBondContact CB-OD2 3.32Å; S354-D357 PolarHBondContact N-OD2 3.42Å; S354-D357 WeakPolarHBondContact O-CB 3.22Å; S354-D357 PolarHBondContact O-N 3.15Å; S354-D357 PolarHBondContact OG-N 3.25Å; S354-D357 PolarHBondContact OG-OD2 2.88Å; W355-D357 VanDerWaalsContact C-N 3.28Å; W355-D357 PolarHBondContact O-N 2.9Å; D357-N361 PolarHBondContact O-ND2 2.87Å
358	F	66.4	Low	71.8	Confident	85 Å²	85	75 Å²	75	37%	0.373	39%	0.387	S	S	.	.	H	α-helix	trans	-104.6	-21.9	-174.6	-81	-95.4	0	0	0	113.7	I339 K353 W355 K356 S360 N361 F362	I339-F358 HydrophobicContact CD1-CB 4.06Å; I339-F358 HydrophobicContact CD1-CD2 3.5Å; I339-F358 HydrophobicContact CD1-CE2 4.03Å; I339-F358 HydrophobicContact CD1-CG 3.77Å; I339-F358 HydrophobicContact CG1-CD2 4.28Å; K353-F358 HydrophobicContact CB-CE2 3.95Å; K353-F358 HydrophobicContact CD-CE2 4.23Å; K353-F358 HydrophobicContact CG-CE2 4.16Å; W355-F358 CarbonylContact O-C 3.58Å; W355-F358 WeakPolarHBondContact O-CA 3.35Å; W355-F358 PolarHBondContact O-N 2.81Å; K356-F358 PolarHBondContact O-N 3.31Å; F358-S360 VanDerWaalsContact C-N 3.26Å; F358-S360 PolarHBondContact O-N 3.41Å; F358-N361 CarbonylContact O-C 3.54Å; F358-N361 VanDerWaalsContact O-C 3.31Å; F358-N361 WeakPolarHBondContact O-CA 2.96Å; F358-N361 PolarHBondContact O-N 2.71Å; F358-F362 PolarHBondContact O-N 3.07Å
359	R	65.2	Low	71.5	Confident	130 Å²	130	68.4 Å²	68.4	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-55.3	-35.9	-176.4	-167.5	175.7	-170.7	136.2	13.7	113.9	D335 W355	D335-R359 IonicContact OD1-CZ 2.74Å; D335-R359 IonicContact OD1-NH1 3.73Å; D335-R359 PolarHBondContact OD1-NH1 2.9Å; W355-R359 PolarHBondContact O-N 2.81Å
360	S	57.9	Low	70.7	Confident	104 Å²	104	68.6 Å²	68.6	73%	0.727	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.9	174.6	52	0	0	0	0	114.2	F358	F358-S360 VanDerWaalsContact C-N 3.26Å; F358-S360 PolarHBondContact O-N 3.41Å
361	N	54	Low	69.6	Low	86 Å²	86	66.7 Å²	66.7	46%	0.46	34%	0.336	S	S	.	.	S	Bend	trans	-103.9	13.6	-178.9	-64	-60.5	0	0	0	112.2	D357 F358 T363	D357-N361 PolarHBondContact O-ND2 2.87Å; F358-N361 CarbonylContact O-C 3.54Å; F358-N361 VanDerWaalsContact O-C 3.31Å; F358-N361 WeakPolarHBondContact O-CA 2.96Å; F358-N361 PolarHBondContact O-N 2.71Å; N361-T363 VanDerWaalsContact O-CG2 3.22Å; N361-T363 WeakPolarHBondContact O-CG2 3.43Å; N361-T363 PolarHBondContact O-N 3.06Å
362	F	60.7	Low	68.9	Low	63 Å²	63	61.6 Å²	61.6	28%	0.276	32%	0.315	S	S	.	.			trans	-75.2	91	-172.6	-166.1	-106.1	0	0	0	111	I302 L330 W355 F358 L364 L369	I302-F362 HydrophobicContact CD1-CZ 4.43Å; L330-F362 HydrophobicContact CD1-CE1 4.17Å; L330-F362 HydrophobicContact CD2-CE1 3.97Å; L330-F362 HydrophobicContact CD2-CE2 4.1Å; L330-F362 HydrophobicContact CD2-CZ 3.62Å; W355-F362 AromaticContact CH2-CD2 3.95Å; W355-F362 HydrophobicContact CH2-CD2 3.95Å; W355-F362 AromaticContact CH2-CE2 3.9Å; W355-F362 HydrophobicContact CH2-CE2 3.9Å; W355-F362 HydrophobicContact CZ3-CD2 4.38Å; W355-F362 HydrophobicContact CZ3-CE2 4.4Å; F358-F362 PolarHBondContact O-N 3.07Å; F362-L364 HydrophobicContact CD1-CB 4.13Å; F362-L364 WeakPolarHBondContact CD1-O 3.43Å; F362-L364 HydrophobicContact CE1-CB 3.65Å; F362-L364 WeakPolarHBondContact CE1-O 3.49Å; F362-L364 HydrophobicContact CE2-CD1 4.13Å; F362-L364 HydrophobicContact CZ-CB 3.86Å; F362-L364 HydrophobicContact CZ-CD1 3.93Å; F362-L364 HydrophobicContact CZ-CG 4.4Å; F362-L364 PolarHBondContact O-N 3.26Å; F362-L369 HydrophobicContact CE1-CD1 4.47Å
363	T	61.2	Low	68.2	Low	44 Å²	44	62.5 Å²	62.5	27%	0.27	31%	0.31	S	S	.	.			trans	-67.9	-7.7	-170.9	83.9	0	0	0	0	114.8	K295 N361 T365	K295-T363 WeakPolarHBondContact CE-O 3.47Å; K295-T363 VanDerWaalsContact CE-OG1 3.27Å; K295-T363 WeakPolarHBondContact CE-OG1 3.48Å; K295-T363 PolarHBondContact NZ-O 3.37Å; N361-T363 VanDerWaalsContact O-CG2 3.22Å; N361-T363 WeakPolarHBondContact O-CG2 3.43Å; N361-T363 PolarHBondContact O-N 3.06Å; T363-T365 PolarHBondContact O-N 2.84Å
364	L	65.7	Low	67.4	Low	14 Å²	14	61.6 Å²	61.6	7%	0.073	31%	0.31	C	S	.	.			trans	-95.4	88.4	-173.8	-60.3	173.8	0	0	0	109.1	K295 A299 I302 F362 Y368 L369	K295-L364 HydrophobicContact CD-CD2 4.33Å; K295-L364 HydrophobicContact CG-CD2 3.48Å; K295-L364 VanDerWaalsContact CG-CD2 3.48Å; A299-L364 HydrophobicContact CB-CD2 4.11Å; I302-L364 HydrophobicContact CD1-CD1 3.64Å; F362-L364 HydrophobicContact CD1-CB 4.13Å; F362-L364 WeakPolarHBondContact CD1-O 3.43Å; F362-L364 HydrophobicContact CE1-CB 3.65Å; F362-L364 WeakPolarHBondContact CE1-O 3.49Å; F362-L364 HydrophobicContact CE2-CD1 4.13Å; F362-L364 HydrophobicContact CZ-CB 3.86Å; F362-L364 HydrophobicContact CZ-CD1 3.93Å; F362-L364 HydrophobicContact CZ-CG 4.4Å; F362-L364 PolarHBondContact O-N 3.26Å; L364-Y368 HydrophobicContact CD2-CD1 3.49Å; L364-Y368 VanDerWaalsContact CD2-CD1 3.49Å; L364-Y368 HydrophobicContact CD2-CE1 3.41Å; L364-Y368 VanDerWaalsContact CD2-CE1 3.41Å; L364-L369 HydrophobicContact CB-CD1 4.15Å; L364-L369 HydrophobicContact CB-CD2 4.03Å; L364-L369 HydrophobicContact CB-CG 4.06Å; L364-L369 HydrophobicContact CD1-CD2 4.3Å; L364-L369 HydrophobicContact CD2-CD2 4.3Å; L364-L369 HydrophobicContact CG-CD2 4.45Å
365	T	68.6	Low	66.2	Low	85 Å²	85	61.6 Å²	61.6	52%	0.521	31%	0.312	S	S	.	.			trans	-65.2	155.8	175.9	63.3	0	0	0	0	110.8	T363 K367 Y368 L369	T363-T365 PolarHBondContact O-N 2.84Å; T365-K367 PolarHBondContact O-N 3.4Å; T365-Y368 PolarHBondContact O-N 2.86Å; T365-Y368 WeakPolarHBondContact OG1-CB 3.35Å; T365-Y368 PolarHBondContact OG1-N 3.28Å; T365-L369 PolarHBondContact O-N 2.98Å
366	S	66.8	Low	65.1	Low	39 Å²	39	64.3 Å²	64.3	27%	0.273	33%	0.325	S	S	.	.	H	α-helix	trans	-54.8	-40.7	174.4	-168.2	0	0	0	0	111.3	L369 E370	S366-L369 PolarHBondContact O-N 3.34Å; S366-E370 VanDerWaalsContact O-CB 3.29Å; S366-E370 WeakPolarHBondContact O-CB 3.1Å; S366-E370 PolarHBondContact O-N 2.99Å
367	K	66.6	Low	64	Low	146 Å²	146	64 Å²	64	64%	0.635	32%	0.322	S	S	*	.	H	α-helix	trans	-58.1	-51.9	172.2	-178.4	177.9	175.4	-176.8	0	111.5	T365 L369 E370 D371	T365-K367 PolarHBondContact O-N 3.4Å; K367-L369 VanDerWaalsContact C-N 3.29Å; K367-L369 PolarHBondContact O-N 3.24Å; K367-E370 CarbonylContact O-C 3.57Å; K367-E370 PolarHBondContact O-N 3.15Å; K367-E370 VanDerWaalsContact O-N 3.13Å; K367-D371 WeakPolarHBondContact CE-OD2 3.22Å; K367-D371 WeakPolarHBondContact CG-OD2 3.27Å; K367-D371 VanDerWaalsContact O-CB 3.3Å; K367-D371 WeakPolarHBondContact O-CB 3.22Å; K367-D371 PolarHBondContact O-N 3.35Å
368	Y	69.1	Low	63	Low	19 Å²	19	62.5 Å²	62.5	8%	0.075	32%	0.315	C	S	.	.	H	α-helix	trans	-58.8	-38.4	179.2	-178	-96.4	0	0	0	112.9	K295 L296 A299 L364 T365 V372 Y377	K295-Y368 HydrophobicContact CD-CE1 4.15Å; K295-Y368 HydrophobicContact CD-CE2 4.46Å; K295-Y368 HydrophobicContact CG-CE1 3.8Å; L296-Y368 WeakPolarHBondContact CA-OH 3.48Å; L296-Y368 PolarHBondContact N-OH 3.15Å; A299-Y368 HydrophobicContact CB-CD1 4.3Å; A299-Y368 HydrophobicContact CB-CE1 3.77Å; L364-Y368 HydrophobicContact CD2-CD1 3.49Å; L364-Y368 VanDerWaalsContact CD2-CD1 3.49Å; L364-Y368 HydrophobicContact CD2-CE1 3.41Å; L364-Y368 VanDerWaalsContact CD2-CE1 3.41Å; T365-Y368 PolarHBondContact O-N 2.86Å; T365-Y368 WeakPolarHBondContact OG1-CB 3.35Å; T365-Y368 PolarHBondContact OG1-N 3.28Å; Y368-V372 HydrophobicContact CD1-CG2 4.33Å; Y368-V372 HydrophobicContact CE1-CG2 3.97Å; Y368-V372 WeakPolarHBondContact O-CB 3.43Å; Y368-V372 VanDerWaalsContact O-CG2 3.23Å; Y368-V372 WeakPolarHBondContact O-CG2 3.48Å; Y368-V372 PolarHBondContact O-N 3.2Å; Y368-Y377 HydrophobicContact CD2-CD2 4.02Å; Y368-Y377 HydrophobicContact CD2-CE1 4.32Å; Y368-Y377 AromaticContact CD2-CE2 3.31Å; Y368-Y377 HydrophobicContact CD2-CE2 3.31Å; Y368-Y377 AromaticContact CD2-CZ 3.5Å; Y368-Y377 VanDerWaalsContact CD2-CZ 3.5Å; Y368-Y377 HydrophobicContact CE2-CD1 4.09Å; Y368-Y377 AromaticContact CE2-CD2 3.79Å; Y368-Y377 HydrophobicContact CE2-CD2 3.79Å; Y368-Y377 AromaticContact CE2-CE1 3.76Å; Y368-Y377 HydrophobicContact CE2-CE1 3.76Å; Y368-Y377 AromaticContact CE2-CE2 3.4Å; Y368-Y377 HydrophobicContact CE2-CE2 3.4Å; Y368-Y377 VanDerWaalsContact CE2-CE2 3.4Å; Y368-Y377 HydrophobicContact CE2-CG 4.11Å; Y368-Y377 AromaticContact CE2-CZ 3.4Å; Y368-Y377 VanDerWaalsContact CE2-CZ 3.4Å; Y368-Y377 HydrophobicContact CG-CE2 4.26Å
369	L	73.2	Confident	62.2	Low	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-72.1	-34.8	177.4	-67.1	177.4	0	0	0	112.5	A299 I302 V303 F322 L326 F362 L364 T365 S366 K367 V372 K373	A299-L369 HydrophobicContact CB-CD2 3.5Å; A299-L369 VanDerWaalsContact CB-CD2 3.5Å; I302-L369 HydrophobicContact CG2-CD1 4.32Å; I302-L369 HydrophobicContact CG2-CD2 4.49Å; V303-L369 WeakPolarHBondContact CG2-O 3.49Å; F322-L369 HydrophobicContact CE1-CB 3.78Å; F322-L369 HydrophobicContact CZ-CB 3.89Å; L326-L369 HydrophobicContact CD1-CD1 3.43Å; L326-L369 VanDerWaalsContact CD1-CD1 3.43Å; L326-L369 HydrophobicContact CD2-CD1 3.89Å; L326-L369 HydrophobicContact CG-CD1 4.33Å; F362-L369 HydrophobicContact CE1-CD1 4.47Å; L364-L369 HydrophobicContact CB-CD1 4.15Å; L364-L369 HydrophobicContact CB-CD2 4.03Å; L364-L369 HydrophobicContact CB-CG 4.06Å; L364-L369 HydrophobicContact CD1-CD2 4.3Å; L364-L369 HydrophobicContact CD2-CD2 4.3Å; L364-L369 HydrophobicContact CG-CD2 4.45Å; T365-L369 PolarHBondContact O-N 2.98Å; S366-L369 PolarHBondContact O-N 3.34Å; K367-L369 VanDerWaalsContact C-N 3.29Å; K367-L369 PolarHBondContact O-N 3.24Å; L369-V372 PolarHBondContact O-N 3.3Å; L369-K373 WeakPolarHBondContact O-CB 3.28Å; L369-K373 PolarHBondContact O-N 3.04Å
370	E	65.9	Low	61.4	Low	66 Å²	66	56.2 Å²	56.2	31%	0.308	29%	0.293	S	S	.	.	H	α-helix	trans	-72.2	-38.5	174.2	-172.8	150.1	-132.5	0	0	111.7	F322 S366 K367 K373 N374	F322-E370 HydrophobicContact CD1-CB 3.92Å; F322-E370 HydrophobicContact CD1-CG 4.32Å; F322-E370 HydrophobicContact CE1-CB 4Å; S366-E370 VanDerWaalsContact O-CB 3.29Å; S366-E370 WeakPolarHBondContact O-CB 3.1Å; S366-E370 PolarHBondContact O-N 2.99Å; K367-E370 CarbonylContact O-C 3.57Å; K367-E370 PolarHBondContact O-N 3.15Å; K367-E370 VanDerWaalsContact O-N 3.13Å; E370-K373 WeakPolarHBondContact O-CB 3.42Å; E370-K373 PolarHBondContact O-N 3.23Å; E370-N374 VanDerWaalsContact O-CB 3.28Å; E370-N374 WeakPolarHBondContact O-CB 3.5Å; E370-N374 PolarHBondContact O-N 2.66Å; E370-N374 PolarHBondContact O-ND2 3.36Å; E370-N374 VanDerWaalsContact O-ND2 3.16Å
371	D	63	Low	60.2	Low	27 Å²	27	51.9 Å²	51.9	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-44.1	170.7	-69.8	-19.9	0	0	0	110.5	K367 N374 G375 F376 Y377	K367-D371 WeakPolarHBondContact CE-OD2 3.22Å; K367-D371 WeakPolarHBondContact CG-OD2 3.27Å; K367-D371 VanDerWaalsContact O-CB 3.3Å; K367-D371 WeakPolarHBondContact O-CB 3.22Å; K367-D371 PolarHBondContact O-N 3.35Å; D371-N374 PolarHBondContact O-N 3.06Å; D371-G375 PolarHBondContact O-N 3.18Å; D371-F376 HydrophobicContact CB-CB 4.01Å; D371-F376 HydrophobicContact CB-CD2 4.34Å; D371-F376 HydrophobicContact CB-CG 4.47Å; D371-F376 WeakPolarHBondContact O-CB 3.25Å; D371-F376 PolarHBondContact O-N 2.93Å; D371-Y377 HydrophobicContact CB-CD2 3.75Å; D371-Y377 HydrophobicContact CB-CE2 3.56Å
372	V	70.1	Confident	59.5	Low	19 Å²	19	49 Å²	49	12%	0.115	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-43.4	174.1	169.4	0	0	0	0	111.8	L296 A299 R300 V303 Y368 L369 N374 G375 Y377	L296-V372 HydrophobicContact CD1-CG1 4.12Å; L296-V372 HydrophobicContact CD1-CG2 3.61Å; A299-V372 HydrophobicContact CB-CB 4.18Å; A299-V372 HydrophobicContact CB-CG1 3.95Å; A299-V372 HydrophobicContact CB-CG2 3.83Å; R300-V372 HydrophobicContact CB-CG1 4.49Å; V303-V372 HydrophobicContact CG2-CG1 4.31Å; Y368-V372 HydrophobicContact CD1-CG2 4.33Å; Y368-V372 HydrophobicContact CE1-CG2 3.97Å; Y368-V372 WeakPolarHBondContact O-CB 3.43Å; Y368-V372 VanDerWaalsContact O-CG2 3.23Å; Y368-V372 WeakPolarHBondContact O-CG2 3.48Å; Y368-V372 PolarHBondContact O-N 3.2Å; L369-V372 PolarHBondContact O-N 3.3Å; V372-N374 VanDerWaalsContact C-N 3.33Å; V372-N374 PolarHBondContact O-N 3.3Å; V372-G375 PolarHBondContact O-N 2.98Å; V372-Y377 HydrophobicContact CG2-CD2 3.71Å; V372-Y377 HydrophobicContact CG2-CG 4.14Å
373	K	69.5	Low	58.5	Low	89 Å²	89	49.8 Å²	49.8	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-43	175.3	174.9	-168.6	168.1	-167	0	112.2	V303 F322 L369 E370 G375	V303-K373 HydrophobicContact CG1-CB 3.76Å; V303-K373 HydrophobicContact CG1-CG 4.03Å; V303-K373 HydrophobicContact CG2-CB 4.03Å; F322-K373 HydrophobicContact CD1-CD 4.48Å; F322-K373 HydrophobicContact CD2-CD 3.77Å; F322-K373 HydrophobicContact CE2-CD 4.04Å; F322-K373 HydrophobicContact CG-CD 4.01Å; L369-K373 WeakPolarHBondContact O-CB 3.28Å; L369-K373 PolarHBondContact O-N 3.04Å; E370-K373 WeakPolarHBondContact O-CB 3.42Å; E370-K373 PolarHBondContact O-N 3.23Å; K373-G375 VanDerWaalsContact C-N 3.28Å; K373-G375 PolarHBondContact O-N 2.88Å
374	N	64.1	Low	57.5	Low	75 Å²	75	53.7 Å²	53.7	40%	0.401	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.1	-177.3	-62.1	-24.3	0	0	0	112.8	E370 D371 V372 F376	E370-N374 VanDerWaalsContact O-CB 3.28Å; E370-N374 WeakPolarHBondContact O-CB 3.5Å; E370-N374 PolarHBondContact O-N 2.66Å; E370-N374 PolarHBondContact O-ND2 3.36Å; E370-N374 VanDerWaalsContact O-ND2 3.16Å; D371-N374 PolarHBondContact O-N 3.06Å; V372-N374 VanDerWaalsContact C-N 3.33Å; V372-N374 PolarHBondContact O-N 3.3Å; N374-F376 HydrophobicContact CB-CD2 3.72Å; N374-F376 HydrophobicContact CB-CE2 3.64Å
375	G	59.4	Low	56	Low	17 Å²	17	57.8 Å²	57.8	18%	0.175	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	8.7	172.6	0	0	0	0	0	116.2	D371 V372 K373 Y377	D371-G375 PolarHBondContact O-N 3.18Å; V372-G375 PolarHBondContact O-N 2.98Å; K373-G375 VanDerWaalsContact C-N 3.28Å; K373-G375 PolarHBondContact O-N 2.88Å; G375-Y377 PolarHBondContact O-N 2.65Å
376	F	53.9	Low	54.3	Low	77 Å²	77	56.4 Å²	56.4	34%	0.338	28%	0.284	S	S	.	.			trans	-64.8	-25.8	179.2	-71.3	-91.6	0	0	0	113.6	P118 F119 D371 N374 P378	P118-F376 HydrophobicContact CB-CE1 4.48Å; P118-F376 HydrophobicContact CB-CZ 4.41Å; F119-F376 HydrophobicContact CE1-CD1 4.45Å; D371-F376 HydrophobicContact CB-CB 4.01Å; D371-F376 HydrophobicContact CB-CD2 4.34Å; D371-F376 HydrophobicContact CB-CG 4.47Å; D371-F376 WeakPolarHBondContact O-CB 3.25Å; D371-F376 PolarHBondContact O-N 2.93Å; N374-F376 HydrophobicContact CB-CD2 3.72Å; N374-F376 HydrophobicContact CB-CE2 3.64Å; F376-P378 WeakPolarHBondContact O-CD 3.34Å
377	Y	53.4	Low	52.8	Low	100 Å²	100	62.8 Å²	62.8	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	-98.4	94.1	169.7	-71.7	-75.9	0	0	0	109.5	Y368 D371 V372 G375 L379	Y368-Y377 HydrophobicContact CD2-CD2 4.02Å; Y368-Y377 HydrophobicContact CD2-CE1 4.32Å; Y368-Y377 AromaticContact CD2-CE2 3.31Å; Y368-Y377 HydrophobicContact CD2-CE2 3.31Å; Y368-Y377 AromaticContact CD2-CZ 3.5Å; Y368-Y377 VanDerWaalsContact CD2-CZ 3.5Å; Y368-Y377 HydrophobicContact CE2-CD1 4.09Å; Y368-Y377 AromaticContact CE2-CD2 3.79Å; Y368-Y377 HydrophobicContact CE2-CD2 3.79Å; Y368-Y377 AromaticContact CE2-CE1 3.76Å; Y368-Y377 HydrophobicContact CE2-CE1 3.76Å; Y368-Y377 AromaticContact CE2-CE2 3.4Å; Y368-Y377 HydrophobicContact CE2-CE2 3.4Å; Y368-Y377 VanDerWaalsContact CE2-CE2 3.4Å; Y368-Y377 HydrophobicContact CE2-CG 4.11Å; Y368-Y377 AromaticContact CE2-CZ 3.4Å; Y368-Y377 VanDerWaalsContact CE2-CZ 3.4Å; Y368-Y377 HydrophobicContact CG-CE2 4.26Å; D371-Y377 HydrophobicContact CB-CD2 3.75Å; D371-Y377 HydrophobicContact CB-CE2 3.56Å; V372-Y377 HydrophobicContact CG2-CD2 3.71Å; V372-Y377 HydrophobicContact CG2-CG 4.14Å; G375-Y377 PolarHBondContact O-N 2.65Å; Y377-L379 PolarHBondContact O-N 2.85Å; Y377-L379 VanDerWaalsContact O-N 3.12Å
378	P	48.2	Very low	51.1	Low	27 Å²	27	64 Å²	64	18%	0.175	31%	0.311	C	S	.	.			trans	-69.3	111.6	-176	27.9	-35.4	0	0	0	111.2	F376 F380	F376-P378 WeakPolarHBondContact O-CD 3.34Å; P378-F380 PolarHBondContact O-N 3.03Å
379	L	50.5	Low	49	Very low	55 Å²	55	66.2 Å²	66.2	29%	0.288	34%	0.341	S	S	.	.	S	Bend	trans	-80	36.8	145.2	-121.4	175.3	0	0	0	109.9	P292 L296 Y377	P292-L379 HydrophobicContact CB-CD1 3.88Å; P292-L379 HydrophobicContact CB-CD2 3.97Å; P292-L379 HydrophobicContact CB-CG 3.89Å; P292-L379 HydrophobicContact CG-CD1 4.29Å; P292-L379 HydrophobicContact CG-CD2 3.94Å; P292-L379 HydrophobicContact CG-CG 4.36Å; L296-L379 HydrophobicContact CD2-CG 4.17Å; Y377-L379 PolarHBondContact O-N 2.85Å; Y377-L379 VanDerWaalsContact O-N 3.12Å
380	F	47.3	Very low	47	Very low	29 Å²	29	74.5 Å²	74.5	13%	0.127	38%	0.38	C	S	.	.	S	Bend	trans	48.8	125.4	-135.3	-55.4	-79.4	0	0	0	114.3	L283 V288 P378 C382	L283-F380 HydrophobicContact CB-CD2 4.38Å; L283-F380 HydrophobicContact CD2-CB 3.73Å; L283-F380 HydrophobicContact CD2-CD1 3.39Å; L283-F380 HydrophobicContact CD2-CD2 4.08Å; L283-F380 HydrophobicContact CD2-CE1 4Å; L283-F380 HydrophobicContact CD2-CG 3.42Å; L283-F380 VanDerWaalsContact CD2-CG 3.42Å; L283-F380 WeakPolarHBondContact O-CE2 3.12Å; L283-F380 WeakPolarHBondContact O-CZ 3.48Å; V288-F380 HydrophobicContact CB-CE1 4.22Å; V288-F380 HydrophobicContact CB-CZ 3.99Å; V288-F380 HydrophobicContact CG2-CE1 4.21Å; V288-F380 HydrophobicContact CG2-CZ 3.83Å; V288-F380 VanDerWaalsContact O-CZ 3.27Å; V288-F380 WeakPolarHBondContact O-CZ 3.34Å; P378-F380 PolarHBondContact O-N 3.03Å; F380-C382 PolarHBondContact O-N 3.48Å
381	G	33.9	Very low	45.2	Very low	12 Å²	12	81.1 Å²	81.1	12%	0.124	41%	0.41	C	S	.	.	S	Bend	trans	-71.5	94.1	-172.2	0	0	0	0	0	113.2
382	C	39.2	Very low	43.7	Very low	27 Å²	27	88.4 Å²	88.4	18%	0.182	44%	0.443	C	S	.	.			trans	-157.5	147.7	153.5	50.7	0	0	0	0	113.1	M176 R180 F380 W384	M176-C382 VanDerWaalsContact CE-SG 3.5Å; R180-C382 PolarHBondContact NH2-SG 2.8Å; F380-C382 PolarHBondContact O-N 3.48Å; C382-W384 PolarHBondContact O-N 2.86Å; C382-W384 PolarHBondContact SG-NE1 3.05Å
383	H	39.2	Very low	41.7	Very low	79 Å²	79	95 Å²	95	37%	0.366	48%	0.478	S	S	.	.			trans	-66.4	125.7	163.9	-152.7	-43.1	0	0	0	108.4	R180 D385 A386	R180-H383 PolarHBondContact NH1-O 2.93Å; H383-D385 PolarHBondContact ND1-N 2.87Å; H383-A386 WeakPolarHBondContact CE1-CB 3.47Å; H383-A386 PolarHBondContact CE1-N 3.18Å; H383-A386 VanDerWaalsContact CE1-N 3.31Å; H383-A386 PolarHBondContact ND1-N 2.9Å; H383-A386 WeakPolarHBondContact NE2-CB 3.43Å
384	W	39.4	Very low	39.9	Very low	126 Å²	126	95.2 Å²	95.2	48%	0.477	49%	0.491	S	S	.	.			trans	-98	-34.7	-179.7	-81.2	112.3	0	0	0	113.3	M176 C382	M176-W384 HydrophobicContact CE-CH2 4.05Å; M176-W384 HydrophobicContact CE-CZ2 3.66Å; C382-W384 PolarHBondContact O-N 2.86Å; C382-W384 PolarHBondContact SG-NE1 3.05Å
385	D	35.1	Very low	38.2	Very low	100 Å²	100	97.6 Å²	97.6	54%	0.535	51%	0.509	S	S	.	.	S	Bend	trans	-112	-27.7	-165.9	-53.5	-75.2	0	0	0	117.3	H383 Y387 Q388	H383-D385 PolarHBondContact ND1-N 2.87Å; D385-Y387 PolarHBondContact O-N 3.21Å; D385-Y387 VanDerWaalsContact O-N 3.09Å; D385-Q388 PolarHBondContact O-N 3.13Å
386	A	33	Very low	36.8	Very low	55 Å²	55	106 Å²	106	46%	0.455	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	33.6	-177.1	0	0	0	0	0	115	H383	H383-A386 WeakPolarHBondContact CE1-CB 3.47Å; H383-A386 PolarHBondContact CE1-N 3.18Å; H383-A386 VanDerWaalsContact CE1-N 3.31Å; H383-A386 PolarHBondContact ND1-N 2.9Å; H383-A386 WeakPolarHBondContact NE2-CB 3.43Å
387	Y	36.1	Very low	35.7	Very low	174 Å²	174	107.9 Å²	107.9	68%	0.682	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	18.6	162.3	-79.9	-86.5	0	0	0	111.6	N115 D385	N115-Y387 PolarHBondContact OD1-OH 2.88Å; D385-Y387 PolarHBondContact O-N 3.21Å; D385-Y387 VanDerWaalsContact O-N 3.09Å
388	Q	29.3	Very low	34.4	Very low	170 Å²	170	110.6 Å²	110.6	79%	0.794	58%	0.582	S	S	*	*	S	Bend	trans	-98.1	77.1	161.9	-69.1	-173.7	72.7	0	0	108.4	D385	D385-Q388 PolarHBondContact O-N 3.13Å
389	G	26.3	Very low	33.6	Very low	67 Å²	67	120.4 Å²	120.4	69%	0.691	62%	0.617	S	S	*	*			trans	175.5	41	-171.5	0	0	0	0	0	116.2
390	E	29.4	Very low	32.5	Very low	174 Å²	174	123.1 Å²	123.1	81%	0.813	64%	0.64	S	S	*	*			trans	-167.5	81.5	163	-111.9	164.5	-148.7	0	0	107.9	E392	E390-E392 PolarHBondContact O-N 3.29Å
391	E	28.2	Very low	31.5	Very low	205 Å²	205	124.9 Å²	124.9	96%	0.958	67%	0.667	S	S	*	*			trans	-82.5	94.3	169	-72.2	-172.1	134.9	0	0	109.2
392	E	32.7	Very low	31.5	Very low	179 Å²	179	131.7 Å²	131.7	84%	0.836	71%	0.706	S	S	*	*			trans	-97.3	126	163.3	-75.2	-156.1	133.8	0	0	111.2	E390 S394	E390-E392 PolarHBondContact O-N 3.29Å; E392-S394 PolarHBondContact O-N 2.87Å
393	D	28	Very low	30.9	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	74%	0.737	S	S	*	*			trans	-74.2	119.7	-166.4	-173.1	2.7	0	0	0	113
394	S	31.8	Very low	30.3	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	75%	0.751	S	S	*	*			trans	-159.2	64.2	171.2	46.1	0	0	0	0	114.6	E392	E392-S394 PolarHBondContact O-N 2.87Å
395	T	28.7	Very low	29.8	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	77%	0.773	S	S	*	*			trans	37.9	99.7	147.4	-54.6	0	0	0	0	118.4
396	F	28.8	Very low	29.5	Very low	193 Å²	193	139.6 Å²	139.6	85%	0.846	78%	0.778	S	S	*	*			trans	-116.4	130.8	154.5	-81.3	-88	0	0	0	110.3
397	P	31.8	Very low	29.2	Very low	117 Å²	117	143 Å²	143	76%	0.76	80%	0.796	S	S	*	*			trans	-75.3	138.7	175.3	30.2	-33	0	0	0	111.5
398	N	26.7	Very low	28.8	Very low	157 Å²	157	140.7 Å²	140.7	84%	0.84	80%	0.804	S	S	*	*			trans	-62.7	144.3	-177.7	-73.6	-65.9	0	0	0	113.6
399	Y	30.5	Very low	28.7	Very low	232 Å²	232	140.5 Å²	140.5	91%	0.91	81%	0.808	S	S	*	*			trans	-131.8	108.3	147.8	-143.6	-91.2	0	0	0	110.4
400	S	27.4	Very low	28.8	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	82%	0.815	S	S	*	*			trans	-89.1	121.5	-177.1	54.7	0	0	0	0	111.3
401	G	26.8	Very low	28.6	Very low	67 Å²	67	140.9 Å²	140.9	69%	0.691	82%	0.818	S	S	*	*			trans	-167.4	136	175	0	0	0	0	0	114.3
402	V	33.1	Very low	28.6	Very low	154 Å²	154	138 Å²	138	93%	0.933	81%	0.814	S	S	*	*			trans	66.7	109.4	172.2	-168.5	0	0	0	0	116.3
403	S	27.4	Very low	28.5	Very low	121 Å²	121	133.7 Å²	133.7	85%	0.846	80%	0.804	S	S	*	*			trans	-85.4	144.2	175.3	53.7	0	0	0	0	113.4
404	G	26.7	Very low	28.6	Very low	63 Å²	63	133.4 Å²	133.4	65%	0.649	80%	0.803	S	S	*	*			trans	-170.9	101.3	170.7	0	0	0	0	0	116.3
405	F	29.2	Very low	28.4	Very low	216 Å²	216	136.6 Å²	136.6	95%	0.947	81%	0.812	S	S	*	*			trans	78	148.7	163.4	-63.5	-80.2	0	0	0	120.3
406	P	28.6	Very low	28.5	Very low	98 Å²	98	135.6 Å²	135.6	64%	0.636	81%	0.81	S	S	*	*			trans	-103.7	169.3	-163.6	41.1	-36.2	0	0	0	114.8
407	P	25.3	Very low	28.6	Very low	128 Å²	128	132.5 Å²	132.5	83%	0.831	81%	0.812	S	S	*	*			trans	-76	141.6	175.1	31.3	-35.8	0	0	0	113
408	C	28.3	Very low	28.4	Very low	125 Å²	125	131.1 Å²	131.1	85%	0.845	81%	0.811	S	S	*	*			trans	-108.6	96.5	-179	-66	0	0	0	0	112
409	N	28.1	Very low	28.6	Very low	165 Å²	165	130 Å²	130	88%	0.882	82%	0.815	S	S	*	*			trans	-103.9	140.8	162.2	-84.7	-13	0	0	0	109.9
410	G	27	Very low	28.6	Very low	81 Å²	81	122.5 Å²	122.5	84%	0.835	81%	0.809	S	S	*	*			trans	99.2	135.8	158.7	0	0	0	0	0	116.9
411	L	26.2	Very low	28.7	Very low	169 Å²	169	123.7 Å²	123.7	89%	0.885	81%	0.811	S	S	*	*			trans	-77.5	143.8	167.6	-64.9	147.4	0	0	0	110.2
412	T	28.2	Very low	28.9	Very low	143 Å²	143	126.2 Å²	126.2	88%	0.877	81%	0.813	S	S	*	*				169.2	162.1	122.7	34	0	0	0	0	112.9
413	S	29.2	Very low	28.8	Very low	89 Å²	89	127.7 Å²	127.7	62%	0.622	81%	0.807	S	S	*	*			trans	-68.7	152.4	174.3	51.8	0	0	0	0	112.2
414	N	31.2	Very low	28.9	Very low	152 Å²	152	127.3 Å²	127.3	81%	0.813	80%	0.795	S	S	*	*				-166.5	166.8	69.3	-84.1	-68	0	0	0	113.3
415	L	27.3	Very low	29.1	Very low	160 Å²	160	130.6 Å²	130.6	84%	0.838	80%	0.798	S	S	*	*			trans	-84.8	154.3	174.2	-74.7	92.7	0	0	0	113.5
416	S	30.7	Very low	29.6	Very low	105 Å²	105	126 Å²	126	73%	0.734	79%	0.79	S	S	*	*			trans	57.7	118.9	147.3	60.9	0	0	0	0	120.5
417	S	30.6	Very low	29.8	Very low	128 Å²	128	127.3 Å²	127.3	90%	0.895	80%	0.802	S	S	*	*				-169.3	162.4	109.7	-81.2	0	0	0	0	111.2
418	A	29	Very low	30.1	Very low	89 Å²	89	125.5 Å²	125.5	74%	0.736	80%	0.798	S	S	*	*			trans	-120.2	156.2	-171.1	0	0	0	0	0	113.8
419	S	30.9	Very low	30.3	Very low	132 Å²	132	124.7 Å²	124.7	92%	0.923	79%	0.793	S	S	*	*			trans	68	151.1	166.2	-58.7	0	0	0	0	117.8
420	G	29.9	Very low	30.5	Very low	76 Å²	76	124 Å²	124	78%	0.784	80%	0.795	S	S	*	*			trans	139.5	59.4	167.8	0	0	0	0	0	116.9
421	T	29.1	Very low	30.7	Very low	136 Å²	136	123.4 Å²	123.4	83%	0.834	79%	0.788	S	S	*	*			trans	-62.7	157.1	-178.8	-35.1	0	0	0	0	114.7
422	V	29.9	Very low	31	Very low	121 Å²	121	122.6 Å²	122.6	73%	0.733	79%	0.785	S	S	*	*			trans	98.1	103.1	157.5	-171.3	0	0	0	0	118.7
423	K	30.9	Very low	31.3	Very low	184 Å²	184	121.1 Å²	121.1	80%	0.8	78%	0.781	S	S	*	*				35.9	143.1	123.3	-68.7	-175.9	175.9	-175.8	0	120.3
424	N	30	Very low	31.5	Very low	113 Å²	113	121.8 Å²	121.8	60%	0.604	79%	0.785	S	S	*	*			cis	-166.8	161.6	28.6	-124.3	27.5	0	0	0	113.6
425	D	31.7	Very low	31.5	Very low	133 Å²	133	119.6 Å²	119.6	71%	0.711	78%	0.78	S	S	*	*			trans	57.5	134.8	148.2	-50.8	-30.6	0	0	0	125
426	P	39.6	Very low	31.9	Very low	120 Å²	120	118.1 Å²	118.1	78%	0.779	78%	0.778	S	S	*	*			trans	-117.7	176.1	175.1	43.3	-34.8	0	0	0	115.4
427	S	32.7	Very low	32.1	Very low	125 Å²	125	118.4 Å²	118.4	87%	0.874	78%	0.78	S	S	*	*			trans	-172	142.9	151.4	-89.5	0	0	0	0	117.9
428	A	32.2	Very low	32.2	Very low	90 Å²	90	116.9 Å²	116.9	74%	0.744	78%	0.775	S	S	*	*			trans	75.4	107.2	140	0	0	0	0	0	125
429	S	32.4	Very low	32.7	Very low	107 Å²	107	118.5 Å²	118.5	75%	0.748	78%	0.776	S	S	*	*				110.6	122.5	106.1	70.1	0	0	0	0	124.3
430	V	31.8	Very low	33	Very low	151 Å²	151	117.7 Å²	117.7	92%	0.915	77%	0.768	S	S	*	*			trans	72	141.3	136.6	176.3	0	0	0	0	121.1
431	G	31	Very low	33.4	Very low	68 Å²	68	119 Å²	119	70%	0.701	77%	0.765	S	S	*	*			trans	-160.2	-60.3	-178.2	0	0	0	0	0	121.3
432	N	32.5	Very low	33.8	Very low	153 Å²	153	116.5 Å²	116.5	82%	0.818	76%	0.758	S	S	*	*			trans	62.1	146.3	177.9	-76.3	2	0	0	0	122.7
433	S	34	Very low	33.7	Very low	112 Å²	112	116.6 Å²	116.6	78%	0.783	76%	0.763	S	S	*	*			trans	68.3	149.2	150.9	40.8	0	0	0	0	121.4
434	S	35	Very low	33.6	Very low	103 Å²	103	112 Å²	112	72%	0.72	76%	0.759	S	S	*	*			cis	-171	162.4	-13.9	50.2	0	0	0	0	115
435	C	31.1	Very low	33.6	Very low	105 Å²	105	111.9 Å²	111.9	71%	0.709	77%	0.767	S	S	*	*			trans	84.4	132.5	140.7	82.8	0	0	0	0	125.4
436	T	34.4	Very low	33.3	Very low	129 Å²	129	110.8 Å²	110.8	79%	0.791	77%	0.769	S	S	*	*			trans	67.7	141.9	147.9	48.7	0	0	0	0	121.2
437	S	34.7	Very low	32.8	Very low	111 Å²	111	114.9 Å²	114.9	78%	0.776	77%	0.774	S	S	*	*			cis	-174.3	170.1	-14.7	48.3	0	0	0	0	112.4
438	A	33.9	Very low	32.6	Very low	96 Å²	96	116.8 Å²	116.8	79%	0.793	78%	0.775	S	S	*	*			trans	93.4	91.9	162.8	0	0	0	0	0	119
439	T	38.7	Very low	32.3	Very low	124 Å²	124	118.1 Å²	118.1	76%	0.761	78%	0.778	S	S	*	*			trans	-103.9	-179.2	144.2	56.5	0	0	0	0	108.9
440	P	38.5	Very low	32.2	Very low	115 Å²	115	119.4 Å²	119.4	75%	0.747	78%	0.782	S	S	*	*				-124.4	156.6	86.9	3.5	19.2	0	0	0	111.7
441	S	38.3	Very low	32	Very low	102 Å²	102	116.2 Å²	116.2	71%	0.713	77%	0.772	S	S	*	*			cis	74.6	153.1	30.2	96.8	0	0	0	0	114.4
442	A	35.8	Very low	32.1	Very low	84 Å²	84	118.8 Å²	118.8	69%	0.694	78%	0.779	S	S	*	*			cis	-138.4	163	9	0	0	0	0	0	110.4
443	C	28.1	Very low	31.8	Very low	123 Å²	123	120.7 Å²	120.7	83%	0.831	78%	0.78	S	S	*	*			cis	76.7	156.4	22	-153.7	0	0	0	0	115.3
444	A	29.9	Very low	31.7	Very low	88 Å²	88	122.3 Å²	122.3	73%	0.727	78%	0.778	S	S	*	*			trans	74.3	146.3	-178	0	0	0	0	0	116.2
445	S	29.2	Very low	31.3	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	78%	0.777	S	S	*	*			cis	-164.4	165.8	-12.1	-113	0	0	0	0	113.4
446	C	25.3	Very low	31.1	Very low	110 Å²	110	124.2 Å²	124.2	74%	0.743	78%	0.778	S	S	*	*			trans	-47.1	145.3	171.5	-21.6	0	0	0	0	115.2
447	K	29.9	Very low	30.8	Very low	205 Å²	205	125.8 Å²	125.8	89%	0.891	78%	0.78	S	S	*	*				177.1	150.9	126.4	-94.7	148.5	-166.8	171.6	0	113.3
448	N	26.9	Very low	30.6	Very low	165 Å²	165	124.2 Å²	124.2	88%	0.882	77%	0.774	S	S	*	*			trans	-67.6	137.9	163.4	-54.3	-3.5	0	0	0	110.3
449	S	27.5	Very low	30.5	Very low	118 Å²	118	127.9 Å²	127.9	83%	0.825	78%	0.778	S	S	*	*				-172.3	147.2	127.7	-167.9	0	0	0	0	110.8
450	T	29.7	Very low	30.1	Very low	135 Å²	135	125.2 Å²	125.2	83%	0.828	78%	0.775	S	S	*	*			trans	-91.2	175.8	172.8	45	0	0	0	0	112.5
451	A	28.5	Very low	29.8	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	77%	0.774	S	S	*	*			trans	85.9	99.1	153.2	0	0	0	0	0	120.6
452	S	32.4	Very low	29.3	Very low	121 Å²	121	127.8 Å²	127.8	85%	0.846	78%	0.777	S	S	*	*				71.9	116.8	113.8	-52.8	0	0	0	0	122.5
453	K	26.8	Very low	28.9	Very low	194 Å²	194	130.6 Å²	130.6	84%	0.843	78%	0.78	S	S	*	*	S	Bend	trans	-130.4	139.1	135.2	-86.7	-175.7	175.3	179.5	0	105.4
454	I	31.6	Very low	28.9	Very low	145 Å²	145	128.9 Å²	128.9	74%	0.744	78%	0.775	S	S	*	*	S	Bend	cis	-151.1	133.7	0.1	-88.1	147.3	0	0	0	102.6
455	T	26.3	Very low	29.4	Very low	115 Å²	115	130.4 Å²	130.4	71%	0.706	78%	0.777	S	S	*	*	S	Bend	cis	-139	158.5	48	43.1	0	0	0	0	115.1
456	D	26.8	Very low	29.5	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	78%	0.781	S	S	*	*			trans	67.9	111.2	144.1	-62.8	-6.2	0	0	0	124.1
457	L	28.5	Very low	29.7	Very low	162 Å²	162	135 Å²	135	85%	0.848	78%	0.78	S	S	*	*			trans	57.2	141.7	144.7	-73.9	77	0	0	0	120.6
458	A	30.3	Very low	29.6	Very low	77 Å²	77	131.8 Å²	131.8	64%	0.636	77%	0.771	S	S	*	*			cis	-167.2	144.6	-19.1	0	0	0	0	0	111
459	I	30.8	Very low	29.7	Very low	174 Å²	174	129.8 Å²	129.8	89%	0.892	77%	0.765	S	S	*	*			trans	34.9	125.1	144.2	-48.3	164.6	0	0	0	118.9
460	G	31.6	Very low	29.7	Very low	67 Å²	67	129.5 Å²	129.5	69%	0.691	76%	0.758	S	S	*	*			cis	150.2	164.6	-5.2	0	0	0	0	0	114.9
461	S	30.5	Very low	29.7	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	76%	0.755	S	S	*	*			trans	78.7	118.4	150.7	-61.5	0	0	0	0	124
462	Q	28.8	Very low	29.8	Very low	168 Å²	168	134.1 Å²	134.1	79%	0.785	76%	0.758	S	S	*	*				72.6	154	126.5	-62.8	-175.5	11	0	0	119.9
463	L	26.6	Very low	29.8	Very low	144 Å²	144	132.9 Å²	132.9	75%	0.754	75%	0.749	S	S	*	*			cis	-162.7	161.8	-8.5	-118.9	172.3	0	0	0	112.3
464	A	28.5	Very low	30.1	Very low	87 Å²	87	131.5 Å²	131.5	72%	0.719	75%	0.746	S	S	*	*			trans	72	155	148.3	0	0	0	0	0	121.6
465	P	41.9	Very low	30.2	Very low	119 Å²	119	132.1 Å²	132.1	77%	0.773	75%	0.75	S	S	*	*			trans	-119.1	168.9	-177.2	43.2	-32.2	0	0	0	115.1
466	E	29.4	Very low	30.4	Very low	183 Å²	183	130.4 Å²	130.4	86%	0.855	75%	0.748	S	S	*	*			trans	-164.5	142.2	151.7	-117.7	162.2	-154.9	0	0	113.6
467	D	30.1	Very low	30.5	Very low	135 Å²	135	128.2 Å²	128.2	72%	0.722	75%	0.749	S	S	*	*			trans	62	131.7	141.9	-79.1	6.6	0	0	0	128.3
468	L	29	Very low	30.7	Very low	137 Å²	137	130.7 Å²	130.7	72%	0.717	75%	0.752	S	S	*	*			trans	90.6	116.4	131	-101.7	68.7	0	0	0	125.4
469	V	27.2	Very low	30.5	Very low	124 Å²	124	130.1 Å²	130.1	75%	0.752	75%	0.754	S	S	*	*				72.1	138.1	120	144.1	0	0	0	0	121
470	V	27.9	Very low	30.3	Very low	111 Å²	111	128.2 Å²	128.2	67%	0.673	76%	0.755	S	S	*	*			cis	-169.9	-174.6	-10.1	76.7	0	0	0	0	113
471	M	31	Very low	30.1	Very low	156 Å²	156	129.6 Å²	129.6	77%	0.768	75%	0.754	S	S	*	*			trans	85.1	119.9	178.3	-47.9	-159.1	76.5	0	0	114.6
472	Q	30.2	Very low	30	Very low	161 Å²	161	129.7 Å²	129.7	75%	0.752	76%	0.755	S	S	*	*			cis	73.3	138.4	38.4	-58.7	-175.8	-38.3	0	0	113.7
473	S	33	Very low	29.9	Very low	94 Å²	94	127 Å²	127	66%	0.657	75%	0.754	S	S	*	*			cis	-127	145.2	21.5	58.6	0	0	0	0	113.4
474	E	31.4	Very low	30	Very low	166 Å²	166	125.1 Å²	125.1	78%	0.776	75%	0.753	S	S	*	*				59.5	135.4	97.6	-50.8	176.2	139.2	0	0	114.5
475	D	33.9	Very low	29.9	Very low	157 Å²	157	126.8 Å²	126.8	84%	0.84	75%	0.754	S	S	*	*			cis	-157	168.2	36.4	-155.5	-6	0	0	0	115.8
476	A	30.5	Very low	29.1	Very low	79 Å²	79	131.7 Å²	131.7	65%	0.653	76%	0.759	S	S	*	*			trans	72.7	62.5	147.6	0	0	0	0	0	124.7
477	A	30.2	Very low	29.1	Very low	89 Å²	89	127 Å²	127	74%	0.736	75%	0.751	S	S	*	*				66.3	138.5	110.4	0	0	0	0	0	126.3
478	K	31.6	Very low	28.9	Very low	213 Å²	213	125.7 Å²	125.7	93%	0.926	75%	0.753	S	S	*	*			trans	78.2	139.3	158.1	-59.9	158.8	-175.6	174.8	0	117.6
479	G	27	Very low	28.8	Very low	66 Å²	66	128.1 Å²	128.1	68%	0.68	76%	0.76	S	S	*	*			cis	151.9	121	-3	0	0	0	0	0	109.9
480	C	26.5	Very low	28.7	Very low	134 Å²	134	129.4 Å²	129.4	91%	0.905	76%	0.761	S	S	*	*				55.1	138.6	82.5	-71.6	0	0	0	0	115.2
481	S	26.9	Very low	28.4	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	76%	0.764	S	S	*	*			cis	-177.9	172.4	-5.9	51.2	0	0	0	0	110.2
482	S	28.3	Very low	28.1	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	76%	0.761	S	S	*	*			trans	62.2	158.9	150	45.7	0	0	0	0	119.1
483	S	27.1	Very low	27.8	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	76%	0.755	S	S	*	*			cis	-163.4	174.4	-15.1	46.5	0	0	0	0	109.7
484	S	28.4	Very low	27.4	Very low	104 Å²	104	128.9 Å²	128.9	73%	0.727	76%	0.759	S	S	*	*			trans	-63.6	160.1	174.4	51.2	0	0	0	0	115
485	V	26.7	Very low	27.3	Very low	122 Å²	122	129.8 Å²	129.8	74%	0.739	76%	0.763	S	S	*	*				170.6	123.5	121.2	150	0	0	0	0	114
486	Y	25.1	Very low	27.1	Very low	223 Å²	223	128.9 Å²	128.9	88%	0.875	76%	0.755	S	S	*	*			trans	65.9	147.7	149.3	-82.8	-119.8	0	0	0	124.1
487	A	29	Very low	27.2	Very low	84 Å²	84	130.8 Å²	130.8	69%	0.694	76%	0.761	S	S	*	*			trans	-92.2	168.4	174.3	0	0	0	0	0	112.8
488	S	26	Very low	27.1	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	76%	0.757	S	S	*	*				176.3	115.6	122.9	-78.2	0	0	0	0	114.2
489	Q	26.9	Very low	27.1	Very low	188 Å²	188	130.8 Å²	130.8	88%	0.879	75%	0.753	S	S	*	*			trans	53.3	-179.9	144.1	-62.6	-171.4	-9.5	0	0	121.2
490	I	24.8	Very low	27.2	Very low	150 Å²	150	134.2 Å²	134.2	77%	0.769	76%	0.755	S	S	*	*			trans	80.8	79.1	166.6	-44.9	-175.7	0	0	0	117.3
491	N	23	Very low	27.7	Very low	137 Å²	137	133.3 Å²	133.3	73%	0.733	75%	0.748	S	S	*	*				61.5	131.4	117.7	-93.8	-17.7	0	0	0	123.7
492	L	23.4	Very low	27.9	Very low	133 Å²	133	134.1 Å²	134.1	70%	0.696	75%	0.753	S	S	*	*			trans	75.5	118.6	133.1	-68.4	165.3	0	0	0	121.8
493	T	23.8	Very low	27.7	Very low	104 Å²	104	134.8 Å²	134.8	64%	0.638	76%	0.757	S	S	*	*			trans	82.3	122.8	134.3	52.3	0	0	0	0	122
494	N	24.8	Very low	27.6	Very low	137 Å²	137	134.1 Å²	134.1	73%	0.733	75%	0.752	S	S	*	*			trans	59.6	109.4	133.4	-54.3	-11.9	0	0	0	119.2
495	H	29.5	Very low	27.5	Very low	186 Å²	186	134.1 Å²	134.1	86%	0.861	75%	0.752	S	S	*	*				-162.6	131.3	98.1	-115.5	-81.6	0	0	0	113.3
496	M	29.3	Very low	27.5	Very low	137 Å²	137	137.4 Å²	137.4	68%	0.675	76%	0.757	S	S	*	*			trans	-79.8	161.8	155.9	-79.4	-151.9	79.5	0	0	110.3	Q498	M496-Q498 HydrophobicContact CE-CG 4.2Å; M496-Q498 HydrophobicContact SD-CG 3.91Å
497	P	32.2	Very low	27.4	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	75%	0.75	S	S	*	*				-112.5	130.5	121.5	32.7	-31.8	0	0	0	111.4
498	Q	27.9	Very low	27.5	Very low	139 Å²	139	136.3 Å²	136.3	65%	0.65	76%	0.756	S	S	*	*			trans	-79.2	165.4	165.7	-65.5	174.3	-30.9	0	0	110.2	M496	M496-Q498 HydrophobicContact CE-CG 4.2Å; M496-Q498 HydrophobicContact SD-CG 3.91Å
499	I	33.6	Very low	27.4	Very low	163 Å²	163	137.5 Å²	137.5	84%	0.836	75%	0.754	S	S	*	*				-160	94	127.8	-95.9	148	0	0	0	108.7
500	D	27.3	Very low	27.7	Very low	138 Å²	138	135.7 Å²	135.7	74%	0.738	75%	0.751	S	S	*	*			trans	52.7	155.7	138.1	-65.6	-22.6	0	0	0	125.7
501	P	36.8	Very low	27.8	Very low	115 Å²	115	135.2 Å²	135.2	75%	0.747	75%	0.75	S	S	*	*			trans	-128.2	177.3	-162.7	42.3	-24.8	0	0	0	115
502	S	31.4	Very low	28.1	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	75%	0.752	S	S	*	*			trans	-168.9	143.1	148.8	16.1	0	0	0	0	108.5
503	C	24.4	Very low	28.2	Very low	121 Å²	121	137.7 Å²	137.7	82%	0.818	76%	0.755	S	S	*	*				53.4	133.2	68.8	-87.8	0	0	0	0	113.9
504	S	25.8	Very low	28.6	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	77%	0.765	S	S	*	*			cis	-170.5	158.8	-9.7	46.6	0	0	0	0	109.9
505	S	25.6	Very low	28.7	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	76%	0.762	S	S	*	*			trans	36.4	143.4	145.5	-50	0	0	0	0	122.7
506	K	26.8	Very low	28.8	Very low	191 Å²	191	139.7 Å²	139.7	83%	0.83	76%	0.758	S	S	*	*			trans	111	118.6	165.4	-64.8	158.8	-174.5	177	0	111.7
507	V	23.8	Very low	28.6	Very low	122 Å²	122	143.9 Å²	143.9	74%	0.739	77%	0.768	S	S	*	*				64.5	113.1	67.4	175.1	0	0	0	0	110.9
508	I	30.2	Very low	28.7	Very low	161 Å²	161	143 Å²	143	83%	0.826	76%	0.763	S	S	*	*			trans	-167.8	117.8	140.6	-96.1	148.6	0	0	0	106.3
509	D	24.6	Very low	28.6	Very low	133 Å²	133	142.1 Å²	142.1	71%	0.711	77%	0.767	S	S	*	*			trans	-66.5	161.7	165.8	-48.2	-95.9	0	0	0	110.4
510	N	32	Very low	28.4	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	76%	0.758	S	S	*	*				-178.3	121.3	120.4	-98.8	-68.1	0	0	0	111.3
511	D	26.7	Very low	28.5	Very low	140 Å²	140	140.8 Å²	140.8	75%	0.749	76%	0.76	S	S	*	*			trans	-48.4	145.4	143.9	-84.3	-76.5	0	0	0	111
512	L	29.6	Very low	28.3	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	76%	0.757	S	S	*	*				-171.4	94.9	129	-103.8	158.4	0	0	0	113.5
513	K	26.4	Very low	28.4	Very low	171 Å²	171	140.8 Å²	140.8	74%	0.743	76%	0.756	S	S	*	*			trans	17.2	120.2	139.4	-58.7	174.5	-179.2	176.1	0	117.8
514	K	31.7	Very low	28.7	Very low	199 Å²	199	141.1 Å²	141.1	87%	0.865	75%	0.754	S	S	*	*			trans	-157.5	99.3	133.3	-115.2	168.2	-175.1	177.7	0	113.5
515	N	27.8	Very low	29	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	76%	0.76	S	S	*	*				43.5	131.4	120.8	-77.6	62.4	0	0	0	121.9
516	D	30.8	Very low	29.3	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	76%	0.759	S	S	*	*			trans	93.7	123.5	141.7	-51.3	-21.9	0	0	0	120.1
517	Y	26.3	Very low	29.4	Very low	225 Å²	225	138.7 Å²	138.7	88%	0.882	76%	0.76	S	S	*	*			trans	-62.6	176.4	169.8	-80.1	-90.3	0	0	0	114
518	P	33.6	Very low	29.7	Very low	102 Å²	102	137.5 Å²	137.5	66%	0.662	76%	0.762	S	S	*	*			cis	-137.5	-177.8	-16.5	28.4	-5.5	0	0	0	115.2
519	T	26	Very low	29.5	Very low	121 Å²	121	139.5 Å²	139.5	74%	0.742	77%	0.765	S	S	*	*			trans	80.3	131.2	148.1	-6.1	0	0	0	0	121.9
520	S	28.6	Very low	29.9	Very low	92 Å²	92	140.9 Å²	140.9	64%	0.643	77%	0.771	S	S	*	*			trans	103.3	134.9	131.8	80.7	0	0	0	0	120.9
521	F	29.6	Very low	29.8	Very low	180 Å²	180	139.1 Å²	139.1	79%	0.789	77%	0.768	S	S	*	*			trans	60.1	138.1	165.8	-61	-74.3	0	0	0	119.4	E523	F521-E523 VanDerWaalsContact CD1-OE2 3.27Å; F521-E523 WeakPolarHBondContact CD1-OE2 3.34Å; F521-E523 WeakPolarHBondContact CE1-OE2 3.34Å
522	G	33.6	Very low	29.9	Very low	66 Å²	66	141.8 Å²	141.8	68%	0.68	77%	0.773	S	S	*	*			cis	-136.8	158	-2.3	0	0	0	0	0	111.7
523	E	32.4	Very low	29.8	Very low	161 Å²	161	140.2 Å²	140.2	75%	0.752	77%	0.77	S	S	*	*			cis	77.6	136.2	45.6	-162.5	175	-152.5	0	0	111.1	F521	F521-E523 VanDerWaalsContact CD1-OE2 3.27Å; F521-E523 WeakPolarHBondContact CD1-OE2 3.34Å; F521-E523 WeakPolarHBondContact CE1-OE2 3.34Å
524	V	31.9	Very low	30	Very low	127 Å²	127	138.8 Å²	138.8	77%	0.77	77%	0.77	S	S	*	*			cis	-111.3	-139.5	18.9	68.9	0	0	0	0	114.6
525	V	31.2	Very low	29.9	Very low	134 Å²	134	137.4 Å²	137.4	81%	0.812	77%	0.767	S	S	*	*			trans	-158.9	164.3	-158.8	111.8	0	0	0	0	108.6
526	G	31.6	Very low	30	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	77%	0.766	S	S	*	*			cis	154.6	-158.7	6.6	0	0	0	0	0	112.2
527	V	28.1	Very low	30	Very low	140 Å²	140	136.6 Å²	136.6	85%	0.848	76%	0.761	S	S	*	*			trans	-113	145.8	178.6	175.3	0	0	0	0	110.1
528	A	30.5	Very low	30.3	Very low	96 Å²	96	134.4 Å²	134.4	79%	0.793	76%	0.759	S	S	*	*			trans	-151.2	125.5	167.7	0	0	0	0	0	113.1
529	F	27.5	Very low	30.3	Very low	203 Å²	203	134.8 Å²	134.8	89%	0.89	76%	0.761	S	S	*	*			trans	-99	136.6	161	-89.1	-103.8	0	0	0	109
530	I	31.7	Very low	30.5	Very low	163 Å²	163	136.8 Å²	136.8	84%	0.836	77%	0.766	S	S	*	*			trans	-143.9	135.5	158.5	-58.5	-175.5	0	0	0	108.5
531	P	31.2	Very low	30.7	Very low	112 Å²	112	137.1 Å²	137.1	73%	0.727	77%	0.769	S	S	*	*			trans	-105.1	153.9	-172.9	38.5	-34.6	0	0	0	116.4
532	K	27.4	Very low	30.9	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.857	77%	0.774	S	S	*	*			trans	66.6	158.5	147.8	-81.1	-170.7	175.3	-176.3	0	122.2
533	T	28.5	Very low	30.9	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.724	78%	0.781	S	S	*	*			trans	74.2	115.3	163.9	43.2	0	0	0	0	120.4
534	D	29.8	Very low	31	Very low	140 Å²	140	138.7 Å²	138.7	75%	0.749	78%	0.783	S	S	*	*			trans	85.5	108.1	130.3	-57.4	3.8	0	0	0	122.1
535	E	29.1	Very low	31.6	Very low	170 Å²	170	138.3 Å²	138.3	79%	0.794	78%	0.784	S	S	*	*			trans	76	137.5	130.1	-57.3	-81	75.1	0	0	121.7
536	D	30.3	Very low	31.7	Very low	124 Å²	124	137 Å²	137	66%	0.663	78%	0.781	S	S	*	*			trans	78.6	105.8	144.9	-80.2	-5.6	0	0	0	125.1
537	I	30.9	Very low	31.9	Very low	129 Å²	129	140.1 Å²	140.1	66%	0.662	79%	0.786	S	S	*	*				86.1	102.8	119.9	-65.9	169.6	0	0	0	120.4
538	H	32.4	Very low	32.3	Very low	180 Å²	180	141 Å²	141	83%	0.833	79%	0.785	S	S	*	*			trans	68.3	137.8	143.7	-75.6	-41.8	0	0	0	123.5
539	P	34.8	Very low	32.5	Very low	109 Å²	109	139.8 Å²	139.8	71%	0.708	78%	0.776	S	S	*	*			trans	-110.9	160.3	176.8	41	-33.9	0	0	0	115.2
540	L	28.8	Very low	33	Very low	164 Å²	164	136.5 Å²	136.5	86%	0.859	78%	0.775	S	S	*	*			trans	-168.7	151.7	140.7	-135.9	70.4	0	0	0	117.4
541	S	33.6	Very low	33.1	Very low	99 Å²	99	137.3 Å²	137.3	69%	0.692	77%	0.767	S	S	*	*			trans	86.1	93.7	140.9	66.8	0	0	0	0	124
542	K	33.1	Very low	33.4	Very low	210 Å²	210	137 Å²	137	91%	0.913	77%	0.765	S	S	*	*				41.1	128	120.3	-65.5	-179.5	177	177.1	0	122.6
543	A	34.8	Very low	33.7	Very low	99 Å²	99	135.1 Å²	135.1	82%	0.818	76%	0.764	S	S	*	*			trans	-146.7	163.7	139	0	0	0	0	0	110.7
544	T	33.4	Very low	33.9	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	76%	0.758	S	S	*	*			trans	-146.7	-160.8	-163.2	50.5	0	0	0	0	112.9
545	P	44.4	Very low	34.1	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	76%	0.758	S	S	*	*				-129.1	-161.3	-79.4	41.8	-24.7	0	0	0	112.8
546	S	34.3	Very low	34.2	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	75%	0.749	S	S	*	*				164.9	166	127.6	-167.3	0	0	0	0	113.7
547	V	36.3	Very low	34.3	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	76%	0.756	S	S	*	*			trans	76	129.8	170.4	-177.3	0	0	0	0	114.7
548	N	36	Very low	34.4	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	76%	0.763	S	S	*	*			cis	-154.9	-172.3	-8.3	-158.9	3.9	0	0	0	111.3
549	A	33.7	Very low	34.3	Very low	72 Å²	72	133.3 Å²	133.3	60%	0.595	76%	0.762	S	S	*	*			trans	-146.4	-174.2	171.8	0	0	0	0	0	112.7
550	P	38.5	Very low	34.3	Very low	134 Å²	134	133.1 Å²	133.1	87%	0.87	76%	0.761	S	S	*	*				-138.4	-176.7	78.1	38.2	-21.3	0	0	0	116.3
551	R	34.8	Very low	34.4	Very low	180 Å²	180	134.4 Å²	134.4	68%	0.679	76%	0.76	S	S	*	*			trans	-121.2	-159.4	-164.3	-139.1	-177	-170.1	-155.8	-0.8	109.4	E554	R551-E554 IonicContact CZ-OE1 3.74Å; R551-E554 VanDerWaalsContact CZ-OE1 3.22Å; R551-E554 IonicContact CZ-OE2 3.88Å; R551-E554 IonicContact NH1-OE1 2.79Å; R551-E554 PolarHBondContact NH1-OE1 3.05Å; R551-E554 IonicContact NH1-OE2 3.93Å; R551-E554 PolarHBondContact NH1-OE2 3.11Å; R551-E554 IonicContact NH2-OE1 3.96Å; R551-E554 PolarHBondContact NH2-OE1 2.67Å; R551-E554 IonicContact NH2-OE2 3.83Å
552	P	36.9	Very low	34.3	Very low	106 Å²	106	138.6 Å²	138.6	69%	0.688	77%	0.766	S	S	*	*			cis	-159.5	175.1	41.9	47.3	-24.5	0	0	0	121.6
553	L	33.3	Very low	34.4	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	76%	0.755	S	S	*	*			trans	83.5	141.9	159	-52.9	-165.2	0	0	0	119.3
554	E	33.3	Very low	34.2	Very low	131 Å²	131	135.4 Å²	135.4	61%	0.612	75%	0.751	S	S	*	*			trans	-126.4	-155.9	-149	-51.5	179.7	95.1	0	0	110.3	R551	R551-E554 IonicContact CZ-OE1 3.74Å; R551-E554 VanDerWaalsContact CZ-OE1 3.22Å; R551-E554 IonicContact CZ-OE2 3.88Å; R551-E554 IonicContact NH1-OE1 2.79Å; R551-E554 PolarHBondContact NH1-OE1 3.05Å; R551-E554 IonicContact NH1-OE2 3.93Å; R551-E554 PolarHBondContact NH1-OE2 3.11Å; R551-E554 IonicContact NH2-OE1 3.96Å; R551-E554 PolarHBondContact NH2-OE1 2.67Å; R551-E554 IonicContact NH2-OE2 3.83Å
555	L	33.1	Very low	34.1	Very low	143 Å²	143	138.4 Å²	138.4	75%	0.749	75%	0.753	S	S	*	*			cis	-174.4	160.5	40.9	-174.2	70	0	0	0	107.5	Y557	L555-Y557 HydrophobicContact CD1-CD2 4.44Å; L555-Y557 HydrophobicContact CD1-CE2 4.09Å; L555-Y557 HydrophobicContact CD2-CE2 4.31Å; L555-Y557 HydrophobicContact CG-CD2 4.42Å; L555-Y557 HydrophobicContact CG-CE2 4.4Å
556	G	31.3	Very low	33.5	Very low	58 Å²	58	138.1 Å²	138.1	60%	0.598	75%	0.751	S	S	*	*			cis	141.8	157.7	-2	0	0	0	0	0	112.4
557	Y	32.2	Very low	33.5	Very low	206 Å²	206	141.9 Å²	141.9	81%	0.808	75%	0.754	S	S	*	*			trans	73.3	143.9	-176.5	-54	-78.3	0	0	0	116.1	L555	L555-Y557 HydrophobicContact CD1-CD2 4.44Å; L555-Y557 HydrophobicContact CD1-CE2 4.09Å; L555-Y557 HydrophobicContact CD2-CE2 4.31Å; L555-Y557 HydrophobicContact CG-CD2 4.42Å; L555-Y557 HydrophobicContact CG-CE2 4.4Å
558	T	34.1	Very low	33.2	Very low	134 Å²	134	142.3 Å²	142.3	82%	0.822	75%	0.752	S	S	*	*			cis	-149.7	148.6	5.4	-13.7	0	0	0	0	113.1
559	D	29.8	Very low	33.1	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	75%	0.75	S	S	*	*			trans	-79.5	-173.7	166.2	-119.9	-30.9	0	0	0	111.6
560	P	34.9	Very low	33.2	Very low	105 Å²	105	145.5 Å²	145.5	68%	0.682	75%	0.748	S	S	*	*			cis	-141.3	-177.9	4.8	41.9	-22.1	0	0	0	118.7
561	K	31.7	Very low	32.7	Very low	192 Å²	192	145.9 Å²	145.9	84%	0.835	74%	0.743	S	S	*	*			trans	118.1	121.1	132.8	-98.8	-179.2	177.3	-177.5	0	121.9
562	F	30.5	Very low	32.8	Very low	186 Å²	186	145.5 Å²	145.5	82%	0.816	75%	0.749	S	S	*	*			trans	-66.6	172.7	160.1	-85	-94.9	0	0	0	113.4
563	P	35	Very low	32.5	Very low	106 Å²	106	145.4 Å²	145.4	69%	0.688	75%	0.751	S	S	*	*			cis	-148.1	169.4	32.3	43.9	-23.4	0	0	0	121.3
564	D	30.2	Very low	32.6	Very low	137 Å²	137	147 Å²	147	73%	0.733	75%	0.754	S	S	*	*			trans	31.6	121.3	143.7	-45.2	-23.4	0	0	0	122.6
565	K	31.9	Very low	32.6	Very low	193 Å²	193	145.8 Å²	145.8	84%	0.839	76%	0.76	S	S	*	*				-171.1	149.3	126.2	-106.9	178.2	179.8	-171.6	0	112.1
566	P	32.8	Very low	32.5	Very low	113 Å²	113	148.5 Å²	148.5	73%	0.734	77%	0.768	S	S	*	*			trans	-79.3	168.1	167	35.5	-35.1	0	0	0	111.4
567	F	33.9	Very low	32.7	Very low	187 Å²	187	149.3 Å²	149.3	82%	0.82	78%	0.777	S	S	*	*			trans	-139.9	112.8	172.1	-112.2	-81.5	0	0	0	110.8
568	D	29.5	Very low	32.6	Very low	142 Å²	142	149.2 Å²	149.2	76%	0.759	78%	0.784	S	S	*	*			trans	-80.5	152.9	155.6	-61.1	-68.8	0	0	0	109.5
569	Y	34.2	Very low	32.6	Very low	201 Å²	201	146.5 Å²	146.5	79%	0.788	78%	0.782	S	S	*	*			trans	-143.3	87.1	159.6	-135.2	-96.1	0	0	0	107.5
570	V	35	Very low	32.5	Very low	94 Å²	94	148 Å²	148	57%	0.57	78%	0.784	S	S	*	*				89.2	115.3	80.6	163.1	0	0	0	0	110.6	E572	V570-E572 HydrophobicContact CG1-CG 4.03Å
571	D	29.4	Very low	32.4	Very low	143 Å²	143	149.1 Å²	149.1	77%	0.765	79%	0.789	S	S	*	*			trans	-92.3	137.9	169.4	176	29.3	0	0	0	108.4
572	E	36.5	Very low	32.4	Very low	171 Å²	171	146.1 Å²	146.1	80%	0.799	79%	0.787	S	S	*	*			trans	-127.8	106.2	176.9	-76.4	-163.3	149.7	0	0	110.7	V570	V570-E572 HydrophobicContact CG1-CG 4.03Å
573	S	29.5	Very low	32.5	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	78%	0.777	S	S	*	*			trans	-112.6	106.3	175	42.8	0	0	0	0	111.2
574	E	35.1	Very low	32.4	Very low	190 Å²	190	142.4 Å²	142.4	89%	0.888	78%	0.781	S	S	*	*			trans	-134.5	160	167.3	-70	-160.8	147.1	0	0	110.1
575	S	33.9	Very low	32.6	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	77%	0.773	S	S	*	*			cis	-161.7	174.9	-43.9	64	0	0	0	0	106.7
576	H	31.8	Very low	32.8	Very low	200 Å²	200	138 Å²	138	93%	0.926	77%	0.766	S	S	*	*			trans	-54.6	137.7	-164.9	-55	-45.5	0	0	0	117.3
577	G	34.1	Very low	32.7	Very low	76 Å²	76	140 Å²	140	78%	0.784	77%	0.766	S	S	*	*			trans	-144.7	112.2	162	0	0	0	0	0	112
578	H	30.9	Very low	32.9	Very low	204 Å²	204	139.1 Å²	139.1	94%	0.944	76%	0.764	S	S	*	*			trans	-75.6	139.9	176.1	-86.4	-44.4	0	0	0	112.2
579	G	33.7	Very low	33	Very low	76 Å²	76	139 Å²	139	78%	0.784	76%	0.763	S	S	*	*			trans	-161.5	76	173	0	0	0	0	0	112.5
580	Q	29.1	Very low	33	Very low	184 Å²	184	132.7 Å²	132.7	86%	0.86	76%	0.759	S	S	*	*			trans	-70.3	142	168.5	-63.9	174	-51.3	0	0	110.2
581	T	32.2	Very low	32.6	Very low	127 Å²	127	133.5 Å²	133.5	78%	0.779	77%	0.768	S	S	*	*				179.7	126.2	118.2	34.3	0	0	0	0	112.5
582	V	32.5	Very low	32.5	Very low	130 Å²	130	134.4 Å²	134.4	79%	0.788	77%	0.771	S	S	*	*				64.8	134.3	128.3	176.7	0	0	0	0	119.3
583	S	31.1	Very low	32.3	Very low	88 Å²	88	132.1 Å²	132.1	62%	0.615	77%	0.774	S	S	*	*			cis	177.2	170.1	-16.9	61.6	0	0	0	0	109.6
584	V	34.1	Very low	32.1	Very low	126 Å²	126	132.7 Å²	132.7	76%	0.764	78%	0.779	S	S	*	*			trans	70.2	140.3	151.1	162.1	0	0	0	0	116
585	L	33.5	Very low	32.1	Very low	109 Å²	109	129.1 Å²	129.1	57%	0.571	77%	0.772	S	S	*	*			cis	-165.5	172.5	-19.5	-102.2	176	0	0	0	105.1	E587	L585-E587 HydrophobicContact CD2-CG 4.19Å; L585-E587 VanDerWaalsContact CD2-OE1 3.27Å; L585-E587 WeakPolarHBondContact CD2-OE1 3.21Å
586	D	35.5	Very low	31.9	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	78%	0.777	S	S	*	*			cis	-120.3	176.8	-3.1	-63.4	-81.3	0	0	0	107.6
587	E	31.6	Very low	31.8	Very low	155 Å²	155	132.2 Å²	132.2	72%	0.724	77%	0.772	S	S	*	*			cis	86.5	142.3	16.9	-55.2	-173.3	-137	0	0	116.8	L585	L585-E587 HydrophobicContact CD2-CG 4.19Å; L585-E587 VanDerWaalsContact CD2-OE1 3.27Å; L585-E587 WeakPolarHBondContact CD2-OE1 3.21Å
588	H	37.9	Very low	31.6	Very low	168 Å²	168	137.1 Å²	137.1	78%	0.778	78%	0.775	S	S	*	*			trans	81.8	144.9	-178.2	-59.8	-44.4	0	0	0	122
589	D	32.3	Very low	31.4	Very low	140 Å²	140	135.2 Å²	135.2	75%	0.749	77%	0.771	S	S	*	*			cis	-174.4	164.9	-40.1	-117.4	-50.4	0	0	0	112.1
590	G	32.5	Very low	31.3	Very low	68 Å²	68	138.8 Å²	138.8	70%	0.701	77%	0.765	S	S	*	*			trans	95.5	99.1	171.1	0	0	0	0	0	114.6
591	C	27.3	Very low	31.3	Very low	111 Å²	111	135.7 Å²	135.7	75%	0.75	76%	0.764	S	S	*	*			cis	80	103.1	32.6	-78.4	0	0	0	0	117.6
592	L	27.4	Very low	31	Very low	161 Å²	161	137.1 Å²	137.1	84%	0.843	77%	0.766	S	S	*	*			trans	70.8	114.9	137.7	-55.6	169.8	0	0	0	120.5
593	S	31.9	Very low	30.8	Very low	123 Å²	123	139.1 Å²	139.1	86%	0.86	77%	0.771	S	S	*	*				-175.3	153.3	115.7	-79.1	0	0	0	0	113
594	S	25.3	Very low	30.6	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	78%	0.777	S	S	*	*			trans	-137.5	-174.6	174.7	-30.3	0	0	0	0	108.3
595	P	35.1	Very low	30.2	Very low	115 Å²	115	139.8 Å²	139.8	75%	0.747	78%	0.776	S	S	*	*			cis	-132.9	170.8	-23.6	38.7	-23.8	0	0	0	113.7
596	K	31	Very low	29.9	Very low	194 Å²	194	140.5 Å²	140.5	84%	0.843	79%	0.788	S	S	*	*			trans	-178.9	117.6	144.5	-97.1	151.7	-178.1	-177	0	107.8
597	Q	28.8	Very low	29.4	Very low	176 Å²	176	140 Å²	140	82%	0.822	79%	0.794	S	S	*	*				89.2	128.4	65.9	-121	-177.2	-10.4	0	0	113.6
598	Q	30.6	Very low	29.1	Very low	179 Å²	179	137.6 Å²	137.6	84%	0.836	79%	0.793	S	S	*	*			trans	76.6	148.3	-178.4	-52.1	176.8	-82	0	0	115.3
599	N	27.3	Very low	28.5	Very low	163 Å²	163	138.1 Å²	138.1	87%	0.872	80%	0.796	S	S	*	*			cis	-175.4	95.5	-44.3	-108	24.9	0	0	0	109.1
600	K	30	Very low	28.1	Very low	152 Å²	152	138.1 Å²	138.1	66%	0.661	79%	0.792	S	S	*	*			trans	-139.9	147.7	161.6	-142.9	-179.5	178.8	-170.2	0	105.9	D680 D681	K600-D680 IonicContact NZ-OD1 2.7Å; K600-D680 IonicContact NZ-OD2 2.89Å; K600-D681 WeakPolarHBondContact CE-OD2 3.27Å; K600-D681 IonicContact NZ-OD2 3.43Å; K600-D681 PolarHBondContact NZ-OD2 3.2Å
601	S	28.6	Very low	27.9	Very low	118 Å²	118	142 Å²	142	83%	0.825	79%	0.785	S	S	*	*			trans	-122.2	85.3	-151.5	50.8	0	0	0	0	117	L603	S601-L603 PolarHBondContact O-N 3.01Å
602	L	27.3	Very low	27.9	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	78%	0.784	S	S	*	*			trans	-64.4	119.4	169.4	-74.7	83	0	0	0	112.1	T604	L602-T604 PolarHBondContact O-N 3.27Å
603	L	27.5	Very low	27.8	Very low	172 Å²	172	143.3 Å²	143.3	90%	0.901	78%	0.778	S	S	*	*			trans	-97	65.8	175.7	-121.4	172.9	0	0	0	112.2	S601 S605	S601-L603 PolarHBondContact O-N 3.01Å; L603-S605 PolarHBondContact O-N 2.72Å
604	T	27.6	Very low	27.7	Very low	119 Å²	119	144.1 Å²	144.1	73%	0.73	77%	0.766	S	S	*	*			trans	-50.1	120.7	175.5	51.2	0	0	0	0	112.6	L602 P606	L602-T604 PolarHBondContact O-N 3.27Å; T604-P606 WeakPolarHBondContact O-CD 3.36Å
605	S	24.5	Very low	27.8	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	76%	0.761	S	S	*	*			trans	-75.3	122.1	-178.6	64.5	0	0	0	0	111.7	L603 S607	L603-S605 PolarHBondContact O-N 2.72Å; S605-S607 PolarHBondContact O-N 2.83Å; S605-S607 VanDerWaalsContact O-N 3.15Å
606	P	28.4	Very low	27.6	Very low	124 Å²	124	144.6 Å²	144.6	81%	0.805	76%	0.756	S	S	*	*			trans	-75.4	107.8	178.2	29.6	-33.4	0	0	0	111.1	T604 C608	T604-P606 WeakPolarHBondContact O-CD 3.36Å; P606-C608 PolarHBondContact O-N 2.92Å
607	S	25.3	Very low	27.4	Very low	119 Å²	119	140.8 Å²	140.8	83%	0.832	75%	0.745	S	S	*	*			trans	-69	111.7	171.3	49.5	0	0	0	0	110.7	S605	S605-S607 PolarHBondContact O-N 2.83Å; S605-S607 VanDerWaalsContact O-N 3.15Å
608	C	23.9	Very low	27.4	Very low	104 Å²	104	138.2 Å²	138.2	70%	0.703	74%	0.741	S	S	*	*			trans	-124.7	83.9	173	-164	0	0	0	0	110.3	P606 Q610	P606-C608 PolarHBondContact O-N 2.92Å; C608-Q610 PolarHBondContact O-N 3.43Å
609	E	25.2	Very low	27.2	Very low	179 Å²	179	137.3 Å²	137.3	84%	0.836	74%	0.737	S	S	*	*			trans	-73.4	106.1	171	-68.1	-166.9	115.1	0	0	110.3
610	Q	25.2	Very low	27.3	Very low	141 Å²	141	138.9 Å²	138.9	66%	0.659	74%	0.739	S	S	*	*			trans	-115.3	84.1	163.4	-69	-163.5	-4.7	0	0	110.4	C608 F612	C608-Q610 PolarHBondContact O-N 3.43Å; Q610-F612 HydrophobicContact CB-CD2 4.48Å; Q610-F612 HydrophobicContact CB-CE2 3.94Å; Q610-F612 PolarHBondContact O-N 3.44Å
611	R	27.8	Very low	27.2	Very low	148 Å²	148	140.1 Å²	140.1	56%	0.558	75%	0.745	S	S	*	*			trans	-77.3	112.1	171.3	-175.8	-170.6	-128.8	87.8	12.3	109.1	E70	E70-R611 VanDerWaalsContact CB-NH2 3.33Å; E70-R611 IonicContact OE2-CZ 2.59Å; E70-R611 IonicContact OE2-NE 3.4Å; E70-R611 PolarHBondContact OE2-NE 2.95Å; E70-R611 VanDerWaalsContact OE2-NE 3.1Å; E70-R611 IonicContact OE2-NH2 3.12Å; E70-R611 PolarHBondContact OE2-NH2 3.14Å
612	F	26.9	Very low	27.2	Very low	168 Å²	168	141 Å²	141	74%	0.737	74%	0.736	S	S	*	*			trans	-92.7	121.3	175.1	-77.1	-87	0	0	0	111.7	Q610 F614	Q610-F612 HydrophobicContact CB-CD2 4.48Å; Q610-F612 HydrophobicContact CB-CE2 3.94Å; Q610-F612 PolarHBondContact O-N 3.44Å; F612-F614 PolarHBondContact O-N 2.79Å
613	D	25.2	Very low	27.4	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	74%	0.739	S	S	*	*			trans	-75.5	111.6	169.5	-82.8	-43.2	0	0	0	110.6	V615	D613-V615 PolarHBondContact O-N 3.47Å; D613-V615 VanDerWaalsContact O-N 3.16Å
614	F	30.9	Very low	27.5	Very low	139 Å²	139	138.4 Å²	138.4	61%	0.61	73%	0.727	S	S	*	*			trans	-85.1	89.6	179.7	-153.2	-85.2	0	0	0	111.3	F612 I616	F612-F614 PolarHBondContact O-N 2.79Å; F614-I616 HydrophobicContact CD1-CD1 3.84Å; F614-I616 HydrophobicContact CD1-CG1 4.44Å; F614-I616 HydrophobicContact CE1-CD1 3.81Å; F614-I616 PolarHBondContact O-N 2.8Å
615	V	27.6	Very low	27.7	Very low	118 Å²	118	140.2 Å²	140.2	72%	0.715	73%	0.733	S	S	*	*			trans	-72	110.2	172.2	-179.5	0	0	0	0	109.5	D613 D617	D613-V615 PolarHBondContact O-N 3.47Å; D613-V615 VanDerWaalsContact O-N 3.16Å; V615-D617 PolarHBondContact O-N 2.79Å; V615-D617 VanDerWaalsContact O-N 3.07Å
616	I	29.8	Very low	27.9	Very low	124 Å²	124	141.4 Å²	141.4	64%	0.636	73%	0.731	S	S	*	*			trans	-70.4	99.6	167.1	-60.7	-71.4	0	0	0	108	F614 T618	F614-I616 HydrophobicContact CD1-CD1 3.84Å; F614-I616 HydrophobicContact CD1-CG1 4.44Å; F614-I616 HydrophobicContact CE1-CD1 3.81Å; F614-I616 PolarHBondContact O-N 2.8Å; I616-T618 HydrophobicContact CG2-CG2 4.12Å; I616-T618 PolarHBondContact O-N 2.84Å
617	D	26.3	Very low	28.2	Very low	114 Å²	114	141.2 Å²	141.2	61%	0.61	73%	0.732	S	S	*	*			trans	-73.3	89.2	-178.4	-172.1	31.5	0	0	0	111.6	V615 Q619	V615-D617 PolarHBondContact O-N 2.79Å; V615-D617 VanDerWaalsContact O-N 3.07Å; D617-Q619 VanDerWaalsContact C-N 3.34Å; D617-Q619 PolarHBondContact O-N 3.07Å; D617-Q619 PolarHBondContact OD2-NE2 2.8Å
618	T	29.5	Very low	28.4	Very low	122 Å²	122	144.7 Å²	144.7	75%	0.748	74%	0.735	S	S	*	*			trans	-75.5	77.8	-177	47.6	0	0	0	0	113	I616 Q620	I616-T618 HydrophobicContact CG2-CG2 4.12Å; I616-T618 PolarHBondContact O-N 2.84Å; T618-Q620 PolarHBondContact O-N 3.19Å; T618-Q620 VanDerWaalsContact O-N 3.1Å
619	Q	26.2	Very low	28.5	Very low	161 Å²	161	144.3 Å²	144.3	75%	0.752	74%	0.739	S	S	*	*			trans	-81.7	75.8	170.3	-64.2	-166.2	36.3	0	0	112.8	D617	D617-Q619 VanDerWaalsContact C-N 3.34Å; D617-Q619 PolarHBondContact O-N 3.07Å; D617-Q619 PolarHBondContact OD2-NE2 2.8Å
620	Q	30	Very low	28.7	Very low	195 Å²	195	141.9 Å²	141.9	91%	0.911	74%	0.737	S	S	*	*			trans	-133	118.9	152.2	-77.3	-165.1	-2.5	0	0	109.9	T618	T618-Q620 PolarHBondContact O-N 3.19Å; T618-Q620 VanDerWaalsContact O-N 3.1Å
621	K	27.7	Very low	28.7	Very low	178 Å²	178	141.1 Å²	141.1	77%	0.774	74%	0.742	S	S	*	*			trans	-118.8	134.3	-170.8	-166.8	171.4	-168.5	-99.7	0	110.8
622	E	28.2	Very low	28.8	Very low	136 Å²	136	140 Å²	140	64%	0.636	75%	0.751	S	S	*	*			trans	58.1	103.5	165.8	-72.1	160.8	-135.3	0	0	118.5
623	V	31.4	Very low	28.8	Very low	148 Å²	148	137.9 Å²	137.9	90%	0.897	75%	0.747	S	S	*	*				-136	126.4	105.6	-177.8	0	0	0	0	108.6
624	I	29.2	Very low	29.1	Very low	127 Å²	127	140.4 Å²	140.4	65%	0.651	76%	0.755	S	S	*	*			trans	-100.1	138.8	173.7	-63.3	169.3	0	0	0	108.7
625	N	32.3	Very low	28.9	Very low	158 Å²	158	142.5 Å²	142.5	85%	0.845	76%	0.764	S	S	*	*			trans	-157.5	143.3	142.2	-106.9	-39.6	0	0	0	113.1
626	N	29.5	Very low	29.2	Very low	134 Å²	134	142.9 Å²	142.9	72%	0.717	77%	0.766	S	S	*	*			trans	-80.1	158.6	-165.7	-52.4	-43.2	0	0	0	113.4
627	S	33.7	Very low	29.2	Very low	120 Å²	120	141.5 Å²	141.5	84%	0.839	77%	0.767	S	S	*	*			trans	-154.4	93.9	148.5	-76.5	0	0	0	0	111
628	E	29.8	Very low	29.7	Very low	191 Å²	191	143.7 Å²	143.7	89%	0.893	78%	0.779	S	S	*	*			trans	39	131.6	149.9	-58.5	-175.4	128.7	0	0	121.9
629	A	26	Very low	29.7	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	78%	0.778	S	S	*	*			trans	-85.1	143.3	168.6	0	0	0	0	0	111.7
630	V	28.9	Very low	30.1	Very low	128 Å²	128	142.1 Å²	142.1	78%	0.776	79%	0.787	S	S	*	*			trans	-112.5	107	165.6	-178.3	0	0	0	0	109.2	V632	V630-V632 HydrophobicContact CG1-CG2 3.97Å
631	V	25.5	Very low	29.9	Very low	126 Å²	126	139.7 Å²	139.7	76%	0.764	78%	0.779	S	S	*	*			trans	-81.8	114	166.9	174.8	0	0	0	0	108.1	N633	V631-N633 HydrophobicContact CG1-CB 3.93Å
632	V	30.7	Very low	30.2	Very low	124 Å²	124	138.7 Å²	138.7	75%	0.752	78%	0.781	S	S	*	*			trans	-101.7	116.9	163.2	-173.4	0	0	0	0	107.8	V630	V630-V632 HydrophobicContact CG1-CG2 3.97Å
633	N	25.5	Very low	30.2	Very low	124 Å²	124	136.3 Å²	136.3	66%	0.663	78%	0.78	S	S	*	*			trans	-140.2	77	-174.1	178.5	21.2	0	0	0	108.5	V631	V631-N633 HydrophobicContact CG1-CB 3.93Å
634	E	32.3	Very low	30.3	Very low	185 Å²	185	135.5 Å²	135.5	86%	0.864	77%	0.77	S	S	*	*			trans	-108.5	128.6	176.8	-66.6	-154.6	118.7	0	0	111.1
635	K	27.2	Very low	30.6	Very low	184 Å²	184	137.2 Å²	137.2	80%	0.8	77%	0.773	S	S	*	*			trans	-111.8	126.1	177	-63.8	174.1	179.2	176.7	0	109.7
636	T	33	Very low	30.5	Very low	125 Å²	125	137.3 Å²	137.3	77%	0.767	77%	0.768	S	S	*	*			trans	-160.6	116.5	152.2	33.7	0	0	0	0	104.9
637	S	30.7	Very low	30.8	Very low	95 Å²	95	136.7 Å²	136.7	66%	0.664	77%	0.765	S	S	*	*				49.7	118.8	73.7	75.9	0	0	0	0	110.9
638	D	36.7	Very low	30.8	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	76%	0.76	S	S	*	*			cis	-129.3	172.4	38.7	-65	-44.8	0	0	0	114.4
639	G	29.2	Very low	31	Very low	70 Å²	70	135.7 Å²	135.7	72%	0.722	76%	0.755	S	S	*	*			trans	-132.4	175.7	170.2	0	0	0	0	0	111.4
640	L	33.8	Very low	31.4	Very low	179 Å²	179	135.8 Å²	135.8	94%	0.937	75%	0.751	S	S	*	*			trans	-139.9	151.8	160.6	-103.8	172.4	0	0	0	110
641	I	26.6	Very low	31.9	Very low	145 Å²	145	135.6 Å²	135.6	74%	0.744	75%	0.752	S	S	*	*			trans	-121.2	147.8	-170.8	-54.1	170.1	0	0	0	107.2
642	L	34.4	Very low	32.3	Very low	156 Å²	156	137.9 Å²	137.9	82%	0.817	75%	0.754	S	S	*	*			trans	158.1	101.7	132.4	-81.7	162.6	0	0	0	113.3
643	S	28.8	Very low	33.5	Very low	87 Å²	87	138.1 Å²	138.1	61%	0.608	76%	0.758	S	S	*	*				31.2	140.5	124.5	61.3	0	0	0	0	123.2
644	D	31.9	Very low	34.2	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	77%	0.769	S	S	*	*			trans	94.4	126.4	137.8	-80.3	20.6	0	0	0	122.2
645	K	35.2	Very low	34.4	Very low	164 Å²	164	139.8 Å²	139.8	71%	0.713	77%	0.767	S	S	*	*			trans	83.5	116.7	146	-72.6	164.1	-174	163.7	0	121.2
646	Q	31.3	Very low	35.7	Very low	159 Å²	159	138.9 Å²	138.9	74%	0.743	77%	0.771	S	S	*	*				46.8	133.8	108.3	-81.6	176.1	-81.7	0	0	118.2
647	D	34.5	Very low	35.9	Very low	121 Å²	121	140.2 Å²	140.2	65%	0.647	77%	0.773	S	S	*	*			cis	-158.6	176.8	38	-80.7	-52.5	0	0	0	113.8
648	N	34.8	Very low	36.4	Very low	137 Å²	137	139 Å²	139	73%	0.733	78%	0.775	S	S	*	*			trans	81.4	128.5	164.2	-50.7	-56.9	0	0	0	117.2
649	L	33	Very low	36.6	Very low	153 Å²	153	140.6 Å²	140.6	80%	0.801	78%	0.778	S	S	*	*			cis	71.6	131.8	46.8	-59.4	168	0	0	0	112.2
650	S	35.8	Very low	37.1	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	78%	0.775	S	S	*	*			cis	-167.4	-164.8	-3.4	-81.7	0	0	0	0	106.7
651	P	39.9	Very low	37.6	Very low	123 Å²	123	141.8 Å²	141.8	80%	0.799	77%	0.773	S	S	*	*			cis	-128.9	-173.6	-10.4	42.2	-24.8	0	0	0	114.6
652	E	32.6	Very low	38.4	Very low	175 Å²	175	141.3 Å²	141.3	82%	0.818	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-92.8	163.7	166.3	-60.6	-175	134.5	0	0	111
653	P	55.2	Low	39	Very low	129 Å²	129	143.3 Å²	143.3	84%	0.838	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.9	142.5	166	33.5	-32.1	0	0	0	111.5
654	E	41.9	Very low	39.7	Very low	190 Å²	190	145.8 Å²	145.8	89%	0.888	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-77.9	164.3	-164.5	-63.8	154.5	152.3	0	0	114.3
655	D	36.4	Very low	40.4	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65	163.2	171.6	-53.2	-88.6	0	0	0	112.7
656	D	53.1	Low	40.9	Very low	164 Å²	164	147.1 Å²	147.1	88%	0.877	80%	0.798	S	S	*	*			trans	-133.5	87.5	173.1	-168.7	26	0	0	0	109.4	G658	D656-G658 PolarHBondContact O-N 3.16Å
657	D	38.5	Very low	41.7	Very low	153 Å²	153	147.7 Å²	147.7	82%	0.818	81%	0.806	S	S	*	*			trans	-84.8	92.4	-179.1	46.9	-55.1	0	0	0	112.1
658	G	41	Very low	42.4	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	81%	0.806	S	S	*	*			trans	-112.9	77.3	-171.6	0	0	0	0	0	116.2	D656	D656-G658 PolarHBondContact O-N 3.16Å
659	E	41.1	Very low	43.1	Very low	195 Å²	195	148.2 Å²	148.2	91%	0.911	81%	0.809	S	S	*	*			trans	53.9	145.5	157.6	-63.1	-175.8	138.2	0	0	120.6
660	V	39.5	Very low	43.9	Very low	109 Å²	109	146.7 Å²	146.7	66%	0.661	80%	0.796	S	S	*	*			trans	-112	132.3	177.1	-179.9	0	0	0	0	107.7
661	D	44.4	Very low	44.6	Very low	166 Å²	166	148.5 Å²	148.5	89%	0.888	80%	0.798	S	S	*	*			trans	-124.2	108.2	162.1	-82.9	-45.4	0	0	0	107.7
662	D	42.7	Very low	45	Very low	135 Å²	135	151.2 Å²	151.2	72%	0.722	80%	0.8	S	S	*	*			trans	-87.1	123.6	170.9	-50.9	-70.2	0	0	0	108.8
663	E	46.3	Very low	45.7	Very low	198 Å²	198	149.4 Å²	149.4	93%	0.925	80%	0.796	S	S	*	*			trans	-130.8	106.1	159.7	-73.4	-163.9	146.3	0	0	109
664	D	43.9	Very low	45.3	Very low	138 Å²	138	150.2 Å²	150.2	74%	0.738	79%	0.793	S	S	*	*			trans	-71	146.4	169.7	-46.5	-77.5	0	0	0	110.3
665	D	47.5	Very low	45.4	Very low	174 Å²	174	147.3 Å²	147.3	93%	0.93	78%	0.784	S	S	*	*			trans	-140.6	93.3	157.3	-106.8	-27.5	0	0	0	107.3
666	D	45.4	Very low	45.6	Very low	148 Å²	148	146 Å²	146	79%	0.791	78%	0.777	S	S	*	*			trans	-66.8	137.8	166.5	-64.1	-60.7	0	0	0	109.5
667	D	49	Very low	44.9	Very low	172 Å²	172	144.4 Å²	144.4	92%	0.92	76%	0.764	S	S	*	*			trans	-141.5	106.2	152.1	-114.8	-22.7	0	0	0	109.2
668	D	47.7	Very low	45	Very low	119 Å²	119	140.2 Å²	140.2	64%	0.636	74%	0.742	S	S	*	*			trans	-65.1	140.7	172.4	-102.3	-44	0	0	0	111.6	K670	D668-K670 VanDerWaalsContact CB-NZ 3.3Å; D668-K670 IonicContact OD1-NZ 2.71Å; D668-K670 PolarHBondContact OD1-NZ 2.95Å; D668-K670 IonicContact OD2-NZ 3.47Å; D668-K670 PolarHBondContact OD2-NZ 3.49Å
669	D	50.4	Low	44.8	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	72%	0.722	S	S	*	*			trans	172.2	98.6	136.1	-89.4	-16	0	0	0	108
670	K	50.3	Low	44.7	Very low	120 Å²	120	134.4 Å²	134.4	52%	0.522	70%	0.701	S	S	.	*				80.6	142.6	59.9	-72.3	-166	-172.6	61.8	0	115.2	D668	D668-K670 VanDerWaalsContact CB-NZ 3.3Å; D668-K670 IonicContact OD1-NZ 2.71Å; D668-K670 PolarHBondContact OD1-NZ 2.95Å; D668-K670 IonicContact OD2-NZ 3.47Å; D668-K670 PolarHBondContact OD2-NZ 3.49Å
671	D	49.6	Very low	44.7	Very low	137 Å²	137	133.5 Å²	133.5	73%	0.733	69%	0.692	S	S	*	*			trans	64.8	154.1	161.8	-45.7	-23.8	0	0	0	115.8
672	E	48.1	Very low	44.5	Very low	180 Å²	180	131.5 Å²	131.5	84%	0.841	68%	0.681	S	S	*	*			cis	-161.7	132.7	-2.1	-133.2	-179	-171	0	0	105.1
673	D	46.8	Very low	44.2	Very low	137 Å²	137	131.7 Å²	131.7	73%	0.733	68%	0.682	S	S	*	*			cis	-163.1	175.4	-25.6	-92	-16.3	0	0	0	108.2
674	D	47.2	Very low	43.9	Very low	147 Å²	147	128.9 Å²	128.9	79%	0.786	67%	0.673	S	S	*	*			trans	77	157.8	161.9	-70.6	-30.4	0	0	0	123.8
675	D	45	Very low	43.8	Very low	128 Å²	128	130.6 Å²	130.6	68%	0.684	68%	0.677	S	S	*	*			trans	60.9	93.2	164.9	-57.6	-26	0	0	0	118.6
676	N	40.9	Very low	43.3	Very low	128 Å²	128	131.7 Å²	131.7	68%	0.684	67%	0.674	S	S	*	*				69	152.3	59.6	-51.1	-58.3	0	0	0	113.4
677	E	37.3	Very low	43	Very low	129 Å²	129	136 Å²	136	60%	0.603	68%	0.679	S	S	*	*			trans	90.1	100.9	152.6	-33	-152.1	154.1	0	0	120.3	R33	R33-E677 IonicContact CZ-OE1 3.8Å; R33-E677 IonicContact CZ-OE2 2.72Å; R33-E677 VanDerWaalsContact NH1-CB 3.32Å; R33-E677 IonicContact NH1-OE1 3.74Å; R33-E677 PolarHBondContact NH1-OE1 3.44Å; R33-E677 IonicContact NH1-OE2 2.75Å; R33-E677 IonicContact NH2-OE1 2.72Å; R33-E677 PolarHBondContact NH2-OE1 2.89Å; R33-E677 IonicContact NH2-OE2 2.83Å; R33-E677 PolarHBondContact NH2-OE2 3.01Å
678	D	41.8	Very low	42.6	Very low	66 Å²	66	133.9 Å²	133.9	35%	0.353	67%	0.672	S	S	.	*				87.1	105.3	125.5	-52.7	8.8	0	0	0	121.8	R33	R33-D678 WeakPolarHBondContact CG-OD1 3.23Å; R33-D678 IonicContact CZ-OD1 3.35Å; R33-D678 IonicContact CZ-OD2 2.71Å; R33-D678 IonicContact NE-OD1 3.35Å; R33-D678 IonicContact NE-OD2 2.71Å; R33-D678 IonicContact NH1-OD1 2.73Å; R33-D678 PolarHBondContact NH1-OD1 2.9Å; R33-D678 IonicContact NH1-OD2 3.8Å; R33-D678 IonicContact NH2-OD1 3.51Å; R33-D678 PolarHBondContact NH2-OD1 3.48Å; R33-D678 IonicContact NH2-OD2 3.16Å; R33-D678 PolarHBondContact NH2-OD2 3.24Å
679	D	35.3	Very low	42	Very low	57 Å²	57	134.3 Å²	134.3	31%	0.305	68%	0.678	S	S	.	*				70.1	163.9	99.1	-147.2	12.4	0	0	0	123.2	D32 R33 E36	D32-D679 VanDerWaalsContact O-OD2 3.05Å; R33-D679 PolarHBondContact N-OD2 2.94Å; E36-D679 HydrophobicContact CB-CB 4.2Å; E36-D679 WeakPolarHBondContact CB-OD1 3.49Å; E36-D679 HydrophobicContact CG-CB 4.15Å; E36-D679 WeakPolarHBondContact CG-OD1 3.44Å; E36-D679 WeakPolarHBondContact OE1-CB 3.41Å; E36-D679 PolarHBondContact OE1-N 3.04Å; E36-D679 VanDerWaalsContact OE2-CA 3.26Å; E36-D679 WeakPolarHBondContact OE2-CA 3.49Å; E36-D679 PolarHBondContact OE2-N 2.63Å
680	D	40.6	Very low	41.4	Very low	85 Å²	85	131.4 Å²	131.4	46%	0.455	66%	0.66	S	S	.	*			trans	85.3	114.4	144.9	-128.6	9.5	0	0	0	119	K600	K600-D680 IonicContact NZ-OD1 2.7Å; K600-D680 IonicContact NZ-OD2 2.89Å
681	D	39.4	Very low	40.8	Very low	90 Å²	90	130 Å²	130	48%	0.481	66%	0.663	S	S	.	*				74.9	118.2	130	-98	9.7	0	0	0	124.1	K600	K600-D681 WeakPolarHBondContact CE-OD2 3.27Å; K600-D681 IonicContact NZ-OD2 3.43Å; K600-D681 PolarHBondContact NZ-OD2 3.2Å
682	D	39.1	Very low	40.1	Very low	124 Å²	124	128.5 Å²	128.5	66%	0.663	66%	0.659	S	S	*	*				71.5	139.9	120.3	-84	-6	0	0	0	124.5
683	D	37	Very low	39.6	Very low	139 Å²	139	127.1 Å²	127.1	74%	0.743	65%	0.652	S	S	*	*			trans	39.7	148.4	139	-73.4	-16.5	0	0	0	122.2
684	D	40.5	Very low	39.1	Very low	138 Å²	138	128 Å²	128	74%	0.738	65%	0.645	S	S	*	*			cis	-161.5	-178.5	34.3	-152.4	-16.1	0	0	0	114.1
685	E	40.4	Very low	38.7	Very low	175 Å²	175	130.7 Å²	130.7	82%	0.818	65%	0.646	S	S	*	*			trans	61.9	101.4	157.7	-67.7	-140.1	116.4	0	0	120.3
686	K	37.2	Very low	38.1	Very low	196 Å²	196	132.8 Å²	132.8	85%	0.852	65%	0.652	S	S	*	*			trans	-82.3	134.2	161.4	-62.9	-179.5	178.4	72	0	111.8
687	R	38.6	Very low	37.6	Very low	239 Å²	239	128.3 Å²	128.3	90%	0.902	63%	0.63	S	S	*	*			trans	-145.6	115.8	157.3	-131.9	174.8	-172.6	176.4	6.1	113.1
688	V	40.6	Very low	37.4	Very low	127 Å²	127	128.1 Å²	128.1	77%	0.77	63%	0.629	S	S	*	*			trans	-127.4	140.5	-175	177.8	0	0	0	0	110.2
689	V	36.8	Very low	36.8	Very low	128 Å²	128	129.1 Å²	129.1	78%	0.776	64%	0.637	S	S	*	*			trans	-138	142.4	171.8	-178.7	0	0	0	0	109.5
690	E	36.9	Very low	36.7	Very low	90 Å²	90	130.8 Å²	130.8	42%	0.421	65%	0.649	S	S	.	*			trans	-73	147	-151.7	-58.3	161.5	166.2	0	0	117.3	S157 A158	S157-E690 WeakPolarHBondContact CA-OE1 3.16Å; S157-E690 WeakPolarHBondContact CB-OE1 3.45Å; S157-E690 PolarHBondContact OG-OE1 3.16Å; A158-E690 PolarHBondContact N-OE1 3.02Å
691	P	37.6	Very low	36.6	Very low	91 Å²	91	134.2 Å²	134.2	59%	0.591	66%	0.662	S	S	*	*			trans	-77.2	159.3	171.2	26.3	-31.2	0	0	0	115	D963	P691-D963 WeakPolarHBondContact CB-OD1 3.17Å; P691-D963 WeakPolarHBondContact CB-OD2 3.5Å; P691-D963 WeakPolarHBondContact CD-OD2 3.48Å
692	V	35.5	Very low	36.7	Very low	105 Å²	105	134.3 Å²	134.3	64%	0.636	67%	0.666	S	S	*	*			trans	-116.7	109.1	174	179.2	0	0	0	0	110.4	R694	V692-R694 PolarHBondContact O-N 2.9Å
693	E	37.5	Very low	37.5	Very low	151 Å²	151	135.1 Å²	135.1	71%	0.706	67%	0.67	S	S	*	*			trans	-57.9	125	174.3	-68	-176.2	144.6	0	0	111.3
694	R	36.7	Very low	38.5	Very low	154 Å²	154	132.8 Å²	132.8	58%	0.581	66%	0.663	S	S	*	*			trans	-106.8	123.7	173.8	-81.7	-179.4	165.3	171.5	-3.9	110.7	V692	V692-R694 PolarHBondContact O-N 2.9Å
695	Y	37.9	Very low	39.6	Very low	204 Å²	204	128.2 Å²	128.2	80%	0.8	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-74.1	130.3	165.6	-86.6	-109.5	0	0	0	110.6	P697	Y695-P697 WeakPolarHBondContact O-CD 3.3Å
696	E	33.1	Very low	41	Very low	173 Å²	173	128.7 Å²	128.7	81%	0.808	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-85.8	121.8	166.5	-75.3	-165	124.6	0	0	111.4
697	P	29.3	Very low	42.7	Very low	34 Å²	34	129.5 Å²	129.5	22%	0.221	64%	0.64	C	S	.	*	P	Polyproline II helix	trans	-76.3	129.1	172.5	-12.2	28.5	0	0	0	111.9	Y695	Y695-P697 WeakPolarHBondContact O-CD 3.3Å
698	Q	34	Very low	44.3	Very low	125 Å²	125	120.1 Å²	120.1	58%	0.584	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-76.9	140.9	178.3	-65	-174.8	-40.9	0	0	112.8	V700	Q698-V700 PolarHBondContact O-N 2.99Å
699	T	29.8	Very low	46.1	Very low	87 Å²	87	114.6 Å²	114.6	53%	0.534	58%	0.58	S	S	.	*			trans	-77.2	82.3	-177.8	49.3	0	0	0	0	113.3	Q729	T699-Q729 VanDerWaalsContact CG2-OE1 3.3Å
700	V	32.2	Very low	48.1	Very low	92 Å²	92	112.6 Å²	112.6	56%	0.558	57%	0.572	S	S	*	*			trans	-93	101.7	171.8	-178	0	0	0	0	110.5	Q698 V702 Y746	Q698-V700 PolarHBondContact O-N 2.99Å; V700-V702 PolarHBondContact O-N 3.09Å; V700-Y746 VanDerWaalsContact C-OH 3.32Å; V700-Y746 WeakPolarHBondContact O-CE1 3.2Å
701	H	37.7	Very low	50.3	Low	156 Å²	156	111 Å²	111	72%	0.722	56%	0.564	S	S	*	*			trans	-70.9	91.8	-177.6	-118.3	-62.1	0	0	0	111.6	N703 Y746	H701-N703 PolarHBondContact O-N 3.24Å; H701-Y746 VanDerWaalsContact CA-OH 3.28Å; H701-Y746 WeakPolarHBondContact CA-OH 3.38Å; H701-Y746 PolarHBondContact CD2-OH 3.31Å; H701-Y746 VanDerWaalsContact CD2-OH 3.24Å; H701-Y746 AromaticContact CE1-CE2 3.96Å; H701-Y746 PolarHBondContact N-OH 3.47Å; H701-Y746 VanDerWaalsContact N-OH 3.14Å; H701-Y746 AromaticContact NE2-CE2 3.92Å
702	V	43.2	Very low	52.5	Low	93 Å²	93	110 Å²	110	56%	0.564	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-73.3	117	175	-176.7	0	0	0	0	109.3	V700	V700-V702 PolarHBondContact O-N 3.09Å
703	N	55.9	Low	54.9	Low	140 Å²	140	105.5 Å²	105.5	75%	0.749	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-62.9	139.8	173.2	-75.5	-42.4	0	0	0	110.5	H701	H701-N703 PolarHBondContact O-N 3.24Å
704	P	56.8	Low	57.1	Low	90 Å²	90	102.8 Å²	102.8	58%	0.584	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61.2	135.1	-178.4	25.4	-34.4	0	0	0	110.9	S767	P704-S767 WeakPolarHBondContact CB-O 3.41Å
705	P	64.4	Low	59.5	Low	42 Å²	42	96.1 Å²	96.1	27%	0.273	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-70.9	144.1	-178	30.2	-35.4	0	0	0	111	R707 R768	P705-R707 PolarHBondContact O-N 3.04Å; P705-R707 VanDerWaalsContact O-N 3.12Å; P705-R768 HydrophobicContact CG-CB 4.33Å; P705-R768 WeakPolarHBondContact CG-O 3.36Å
706	E	69.5	Low	61.6	Low	185 Å²	185	87.3 Å²	87.3	86%	0.864	47%	0.465	S	S	*	.	S	Bend	trans	-56.7	-32.2	179.3	-62.4	-177.1	-173.8	0	0	112.3	R768	E706-R768 PolarHBondContact O-NH1 3.41Å
707	R	71.9	Confident	64	Low	214 Å²	214	80.8 Å²	80.8	81%	0.808	43%	0.434	S	S	*	.	S	Bend	trans	-127.4	137.4	179.3	-162.7	175.9	-177.9	159	0.2	111.4	P705	P705-R707 PolarHBondContact O-N 3.04Å; P705-R707 VanDerWaalsContact O-N 3.12Å
708	A	74.1	Confident	66.6	Low	41 Å²	41	79.2 Å²	79.2	34%	0.339	42%	0.424	S	S	.	.			trans	-62.2	152.9	169.9	0	0	0	0	0	111.1	R768	A708-R768 HydrophobicContact CB-CB 4.45Å
709	P	78.1	Confident	69	Low	11 Å²	11	75.4 Å²	75.4	7%	0.071	41%	0.406	C	S	.	.			trans	-70.3	151.3	-179.4	28.7	-26.8	0	0	0	111.1	F736 N771	P709-F736 HydrophobicContact CB-CD1 3.81Å; P709-F736 HydrophobicContact CB-CE1 3.56Å; P709-F736 HydrophobicContact CB-CE2 4.45Å; P709-F736 HydrophobicContact CB-CG 4.35Å; P709-F736 HydrophobicContact CB-CZ 3.9Å; P709-F736 HydrophobicContact CG-CD1 4.11Å; P709-F736 HydrophobicContact CG-CE1 3.32Å; P709-F736 HydrophobicContact CG-CE2 4.26Å; P709-F736 HydrophobicContact CG-CZ 3.4Å; P709-N771 HydrophobicContact CG-CB 4.34Å
710	S	79	Confident	71.6	Confident	86 Å²	86	72.4 Å²	72.4	60%	0.601	39%	0.385	S	S	*	.	S	Bend	trans	-80.3	-34.6	-174.3	-4.4	0	0	0	0	112.6	D739 N771	S710-D739 PolarHBondContact OG-OD1 2.94Å; S710-N771 PolarHBondContact O-ND2 3.3Å
711	H	82.8	Confident	73.9	Confident	56 Å²	56	70 Å²	70	26%	0.259	37%	0.369	S	S	.	.	S	Bend	trans	-107.6	168.6	-170.3	-64.5	-88.5	0	0	0	111.9	F736 E738 D739 N771	H711-F736 WeakPolarHBondContact O-CD1 3.39Å; H711-F736 WeakPolarHBondContact O-CE1 3.34Å; H711-E738 HydrophobicContact CB-CB 4.05Å; H711-E738 VanDerWaalsContact CE1-CD 3.45Å; H711-E738 IonicContact CE1-OE1 2.73Å; H711-E738 IonicContact CE1-OE2 3.2Å; H711-E738 PolarHBondContact CE1-OE2 2.88Å; H711-E738 IonicContact CG-OE1 3.18Å; H711-E738 IonicContact ND1-OE1 3.32Å; H711-E738 PolarHBondContact ND1-OE1 3.25Å; H711-E738 IonicContact ND1-OE2 2.71Å; H711-E738 PolarHBondContact ND1-OE2 3.49Å; H711-D739 IonicContact CD2-OD1 3.56Å; H711-D739 PolarHBondContact CD2-OD1 3.01Å; H711-D739 IonicContact CD2-OD2 2.68Å; H711-N771 PolarHBondContact O-ND2 3.49Å; H711-N771 VanDerWaalsContact O-ND2 3.16Å
712	P	83.8	Confident	75.9	Confident	70 Å²	70	66.6 Å²	66.6	46%	0.455	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-71.2	152.7	175.3	-18.4	33.3	0	0	0	112.9	D774	P712-D774 WeakPolarHBondContact CA-OD1 3.41Å; P712-D774 WeakPolarHBondContact CB-OD1 3.22Å
713	A	85.1	Confident	77.5	Confident	12 Å²	12	64.6 Å²	64.6	10%	0.099	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-90.1	130.9	174.7	0	0	0	0	0	112.8	F715 M734 F736 D774	A713-F715 HydrophobicContact CB-CE2 4.21Å; A713-F715 HydrophobicContact CB-CZ 4.18Å; A713-M734 HydrophobicContact CB-CB 4.29Å; A713-M734 HydrophobicContact CB-CE 3.62Å; A713-F736 HydrophobicContact CB-CD1 4.25Å; A713-F736 HydrophobicContact CB-CE1 3.7Å; A713-F736 HydrophobicContact CB-CE2 4.36Å; A713-F736 HydrophobicContact CB-CZ 3.78Å; A713-D774 WeakPolarHBondContact CB-OD2 3.49Å; A713-D774 PolarHBondContact N-OD1 3.24Å; A713-D774 PolarHBondContact N-OD2 3.29Å
714	L	84.5	Confident	77.9	Confident	94 Å²	94	59 Å²	59	49%	0.492	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.1	155.3	178.3	65.9	0	0	0	108.3	T716 M734 W735	L714-T716 HydrophobicContact CG-CG2 4.5Å; L714-M734 CarbonylContact O-C 3.56Å; L714-W735 HydrophobicContact CB-CB 4.36Å; L714-W735 WeakPolarHBondContact CB-O 3.2Å; L714-W735 PolarHBondContact N-O 3.26Å; L714-W735 PolarHBondContact O-N 3.01Å
715	F	86.9	Confident	78.6	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.057	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118	176.9	-62.4	-88.6	0	0	0	109.9	A713 V732 M734 L770 D774 N777 L778 L781	A713-F715 HydrophobicContact CB-CE2 4.21Å; A713-F715 HydrophobicContact CB-CZ 4.18Å; F715-V732 HydrophobicContact CD1-CG1 3.75Å; F715-V732 HydrophobicContact CE1-CG1 3.98Å; F715-M734 HydrophobicContact CD1-CG 4.11Å; F715-M734 HydrophobicContact CE1-CE 4Å; F715-M734 HydrophobicContact CE1-CG 4.16Å; F715-M734 HydrophobicContact CZ-CE 4.42Å; F715-L770 HydrophobicContact CE1-CD1 4.16Å; F715-L770 HydrophobicContact CZ-CD1 3.84Å; F715-D774 HydrophobicContact CE2-CB 4.21Å; F715-D774 HydrophobicContact CZ-CB 3.98Å; F715-N777 HydrophobicContact CE2-CB 3.94Å; F715-L778 HydrophobicContact CD1-CD1 4.31Å; F715-L778 HydrophobicContact CE1-CB 4.02Å; F715-L778 HydrophobicContact CE1-CD1 3.83Å; F715-L778 HydrophobicContact CE1-CG 4.34Å; F715-L778 HydrophobicContact CZ-CB 3.81Å; F715-L778 HydrophobicContact CZ-CD1 4.48Å; F715-L781 HydrophobicContact CB-CD1 3.35Å; F715-L781 HydrophobicContact CD1-CD1 4.1Å; F715-L781 HydrophobicContact CD2-CD1 3.47Å; F715-L781 VanDerWaalsContact CD2-CD1 3.47Å; F715-L781 HydrophobicContact CE2-CD1 4.25Å; F715-L781 HydrophobicContact CG-CD1 3.37Å
716	T	82	Confident	78.6	Confident	19 Å²	19	57.2 Å²	57.2	12%	0.117	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-30.8	-177.3	53.9	0	0	0	0	112.8	L714 Q733 W735 I792 D793 G794	L714-T716 HydrophobicContact CG-CG2 4.5Å; T716-Q733 PolarHBondContact N-O 3.03Å; T716-Q733 VanDerWaalsContact OG1-CD 3.29Å; T716-Q733 VanDerWaalsContact OG1-CG 3.23Å; T716-Q733 WeakPolarHBondContact OG1-CG 3.23Å; T716-Q733 PolarHBondContact OG1-OE1 3.38Å; T716-W735 HydrophobicContact CG2-CB 4.34Å; T716-I792 CarbonylContact O-C 3.49Å; T716-D793 PolarHBondContact O-N 3.34Å; T716-G794 PolarHBondContact O-N 3.24Å
717	H	82.2	Confident	78.9	Confident	36 Å²	36	52.6 Å²	52.6	17%	0.167	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	140	178.6	-163	107.7	0	0	0	111.1	Q719 Y731 Q733 L791	H717-Q719 PolarHBondContact NE2-OE1 2.99Å; H717-Y731 HydrophobicContact CB-CE1 4.3Å; H717-Y731 AromaticContact CD2-CD1 3.73Å; H717-Y731 AromaticContact CD2-CE1 3.76Å; H717-Q733 HydrophobicContact CB-CB 3.71Å; H717-Q733 PolarHBondContact O-N 3.47Å; H717-L791 WeakPolarHBondContact CA-O 3.44Å; H717-L791 PolarHBondContact ND1-O 3.36Å
718	C	85.3	Confident	79.4	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	125.8	174.9	-172	0	0	0	0	109.6	Y731 A785 L791	C718-Y731 WeakPolarHBondContact CA-O 3.39Å; C718-A785 HydrophobicContact CB-CB 4.19Å; C718-A785 WeakPolarHBondContact O-CB 3.4Å; C718-L791 HydrophobicContact CB-CD1 4.32Å
719	Q	84.5	Confident	80.1	Confident	45 Å²	45	43.1 Å²	43.1	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141	-171.9	-175.7	175.5	-1.4	0	0	112.3	H717 Y731	H717-Q719 PolarHBondContact NE2-OE1 2.99Å; Q719-Y731 PolarHBondContact N-O 3.02Å; Q719-Y731 PolarHBondContact O-N 3.48Å
720	Y	83.4	Confident	80.6	Confident	25 Å²	25	42.6 Å²	42.6	10%	0.098	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.5	164.8	-74.8	-109.1	0	0	0	109.1	V730 W754 L782 A785 R786	Y720-V730 HydrophobicContact CD1-CG2 3.72Å; Y720-V730 HydrophobicContact CD2-CG1 4.41Å; Y720-V730 HydrophobicContact CE1-CG1 4.4Å; Y720-V730 HydrophobicContact CE1-CG2 3.57Å; Y720-V730 HydrophobicContact CE2-CG1 4.2Å; Y720-V730 HydrophobicContact CG-CG2 4.41Å; Y720-W754 HydrophobicContact CD1-CB 4.2Å; Y720-W754 HydrophobicContact CD1-CE3 4.37Å; Y720-W754 HydrophobicContact CE1-CB 4Å; Y720-W754 HydrophobicContact CE1-CE3 4.48Å; Y720-W754 WeakPolarHBondContact CE1-O 3.48Å; Y720-L782 HydrophobicContact CE2-CB 4.39Å; Y720-L782 HydrophobicContact CE2-CD2 3.83Å; Y720-L782 WeakPolarHBondContact CE2-O 3.33Å; Y720-A785 HydrophobicContact CD2-CB 4.17Å; Y720-A785 HydrophobicContact CE2-CB 4.4Å; Y720-R786 HydrophobicContact CD2-CB 4.45Å; Y720-R786 HydrophobicContact CE2-CB 4.09Å
721	L	80.7	Confident	81.1	Confident	42 Å²	42	39.8 Å²	39.8	22%	0.22	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.1	176.7	-175	74.1	0	0	0	109.3	V723 W728 Q729	L721-V723 HydrophobicContact CD2-CG1 3.87Å; L721-V723 HydrophobicContact CG-CG1 4.11Å; L721-V723 PolarHBondContact O-N 2.63Å; L721-W728 CarbonylContact O-C 3.57Å; L721-W728 WeakPolarHBondContact O-CA 3.34Å; L721-Q729 PolarHBondContact N-O 3.21Å; L721-Q729 PolarHBondContact O-N 2.9Å
722	Y	79.5	Confident	81.5	Confident	83 Å²	83	37.1 Å²	37.1	33%	0.325	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.8	171.9	-174	-102.1	0	0	0	109.4	G724 G726 W728 G1167	Y722-G724 VanDerWaalsContact CE1-CA 3.44Å; Y722-G726 PolarHBondContact OH-N 3.21Å; Y722-G726 VanDerWaalsContact OH-N 3.12Å; Y722-W728 AromaticContact CD2-CD2 3.94Å; Y722-W728 HydrophobicContact CD2-CD2 3.94Å; Y722-W728 AromaticContact CD2-CE2 3.65Å; Y722-W728 HydrophobicContact CD2-CE3 4.46Å; Y722-W728 HydrophobicContact CD2-CG 4.29Å; Y722-W728 AromaticContact CD2-CZ2 3.98Å; Y722-W728 HydrophobicContact CD2-CZ2 3.98Å; Y722-W728 AromaticContact CD2-NE1 3.79Å; Y722-G1167 VanDerWaalsContact OH-CA 3.27Å; Y722-G1167 WeakPolarHBondContact OH-CA 3.33Å; Y722-G1167 PolarHBondContact OH-O 3.18Å
723	V	78.2	Confident	81.7	Confident	52 Å²	52	35.1 Å²	35.1	32%	0.315	19%	0.188	S	C	.	.			trans	-113.6	25.3	-175.8	-64.3	0	0	0	0	112.6	L721 R727 Q729 Q748	L721-V723 HydrophobicContact CD2-CG1 3.87Å; L721-V723 HydrophobicContact CG-CG1 4.11Å; L721-V723 PolarHBondContact O-N 2.63Å; V723-R727 HydrophobicContact CG2-CB 4.31Å; V723-R727 WeakPolarHBondContact CG2-O 3.45Å; V723-R727 PolarHBondContact N-O 3.34Å; V723-Q729 HydrophobicContact CG1-CB 3.67Å; V723-Q729 HydrophobicContact CG2-CB 4.03Å; V723-Q748 VanDerWaalsContact CG2-NE2 3.31Å
724	G	63.5	Low	81.9	Confident	23 Å²	23	34.6 Å²	34.6	24%	0.237	18%	0.183	C	C	.	.	S	Bend	trans	81.6	167.6	175.1	0	0	0	0	0	114.9	Y722 G726 R727	Y722-G724 VanDerWaalsContact CE1-CA 3.44Å; G724-G726 VanDerWaalsContact C-N 3.27Å; G724-G726 PolarHBondContact O-N 3.05Å; G724-R727 PolarHBondContact O-N 2.82Å; G724-R727 VanDerWaalsContact O-N 3.1Å
725	A	71.2	Confident	81.9	Confident	74 Å²	74	34.9 Å²	34.9	61%	0.612	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	40.1	175.2	0	0	0	0	0	114.5	R727	A725-R727 VanDerWaalsContact C-N 3.32Å; A725-R727 PolarHBondContact O-N 3.41Å
726	G	65.1	Low	81.8	Confident	19 Å²	19	34.2 Å²	34.2	20%	0.196	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	27.2	178	0	0	0	0	0	114.1	Y722 G724 F750 D751	Y722-G726 PolarHBondContact OH-N 3.21Å; Y722-G726 VanDerWaalsContact OH-N 3.12Å; G724-G726 VanDerWaalsContact C-N 3.27Å; G724-G726 PolarHBondContact O-N 3.05Å; G726-F750 CarbonylContact O-C 3.55Å; G726-F750 WeakPolarHBondContact O-CA 3.35Å; G726-D751 PolarHBondContact O-N 3.37Å
727	R	74.4	Confident	81.5	Confident	88 Å²	88	37.4 Å²	37.4	33%	0.332	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.4	179.9	-67.7	178	-65.4	156.3	-6	111.5	V723 G724 A725 Q748 V749 F750	V723-R727 HydrophobicContact CG2-CB 4.31Å; V723-R727 WeakPolarHBondContact CG2-O 3.45Å; V723-R727 PolarHBondContact N-O 3.34Å; G724-R727 PolarHBondContact O-N 2.82Å; G724-R727 VanDerWaalsContact O-N 3.1Å; A725-R727 VanDerWaalsContact C-N 3.32Å; A725-R727 PolarHBondContact O-N 3.41Å; R727-Q748 HydrophobicContact CB-CG 3.93Å; R727-Q748 HydrophobicContact CG-CG 4.36Å; R727-V749 WeakPolarHBondContact CA-O 3.15Å; R727-F750 HydrophobicContact CG-CD1 3.75Å; R727-F750 HydrophobicContact CG-CE1 3.73Å
728	W	84	Confident	81.5	Confident	51 Å²	51	42 Å²	42	19%	0.193	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.1	175.4	-66.3	82.4	0	0	0	109	L721 Y722 Q748 V749 D751 W754	L721-W728 CarbonylContact O-C 3.57Å; L721-W728 WeakPolarHBondContact O-CA 3.34Å; Y722-W728 AromaticContact CD2-CD2 3.94Å; Y722-W728 HydrophobicContact CD2-CD2 3.94Å; Y722-W728 AromaticContact CD2-CE2 3.65Å; Y722-W728 HydrophobicContact CD2-CE3 4.46Å; Y722-W728 HydrophobicContact CD2-CG 4.29Å; Y722-W728 AromaticContact CD2-CZ2 3.98Å; Y722-W728 HydrophobicContact CD2-CZ2 3.98Å; Y722-W728 AromaticContact CD2-NE1 3.79Å; W728-Q748 CarbonylContact O-C 3.47Å; W728-Q748 VanDerWaalsContact O-CA 3.32Å; W728-Q748 WeakPolarHBondContact O-CA 3.35Å; W728-V749 HydrophobicContact CB-CG2 4Å; W728-V749 PolarHBondContact N-O 2.92Å; W728-V749 PolarHBondContact O-N 3.25Å; W728-D751 PolarHBondContact NE1-OD1 2.96Å; W728-W754 HydrophobicContact CB-CB 4.09Å; W728-W754 AromaticContact CD1-CD1 3.35Å; W728-W754 AromaticContact CD1-CG 3.69Å; W728-W754 AromaticContact CD1-NE1 3.93Å; W728-W754 HydrophobicContact CD2-CB 4.4Å; W728-W754 HydrophobicContact CD2-CD2 4.36Å; W728-W754 HydrophobicContact CD2-CG 4.14Å; W728-W754 AromaticContact CE2-CD1 3.84Å; W728-W754 AromaticContact CE2-CE2 3.89Å; W728-W754 AromaticContact CE2-CG 3.99Å; W728-W754 AromaticContact CE2-NE1 3.71Å; W728-W754 HydrophobicContact CG-CB 3.88Å; W728-W754 AromaticContact CG-CG 3.95Å; W728-W754 HydrophobicContact CG-CG 3.95Å; W728-W754 HydrophobicContact CZ2-CD2 4.31Å; W728-W754 AromaticContact CZ2-CE2 3.91Å; W728-W754 HydrophobicContact CZ2-CZ2 4.1Å; W728-W754 AromaticContact NE1-CD1 3.19Å; W728-W754 AromaticContact NE1-CE2 3.92Å; W728-W754 AromaticContact NE1-CG 3.71Å; W728-W754 AromaticContact NE1-NE1 3.25Å
729	Q	87.7	Confident	81.1	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	111.6	168.6	-178.4	171.1	-54.1	0	0	108.3	T699 L721 V723 Y746	T699-Q729 VanDerWaalsContact CG2-OE1 3.3Å; L721-Q729 PolarHBondContact N-O 3.21Å; L721-Q729 PolarHBondContact O-N 2.9Å; V723-Q729 HydrophobicContact CG1-CB 3.67Å; V723-Q729 HydrophobicContact CG2-CB 4.03Å; Q729-Y746 HydrophobicContact CG-CD2 4.28Å; Q729-Y746 HydrophobicContact CG-CG 4.21Å
730	V	89.2	Confident	80.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.2	170.7	-168.8	0	0	0	0	107.4	Y720 V732 Y746 V747 V749 V760 F764 L782	Y720-V730 HydrophobicContact CD1-CG2 3.72Å; Y720-V730 HydrophobicContact CD2-CG1 4.41Å; Y720-V730 HydrophobicContact CE1-CG1 4.4Å; Y720-V730 HydrophobicContact CE1-CG2 3.57Å; Y720-V730 HydrophobicContact CE2-CG1 4.2Å; Y720-V730 HydrophobicContact CG-CG2 4.41Å; V730-V732 HydrophobicContact CG1-CG2 4.44Å; V730-Y746 CarbonylContact O-C 3.38Å; V730-Y746 WeakPolarHBondContact O-CA 3.15Å; V730-Y746 WeakPolarHBondContact O-CB 3.42Å; V730-V747 PolarHBondContact N-O 3.02Å; V730-V747 PolarHBondContact O-N 2.82Å; V730-V749 HydrophobicContact CG2-CG2 4.07Å; V730-V760 HydrophobicContact CB-CG1 4.15Å; V730-V760 HydrophobicContact CG1-CG1 3.91Å; V730-V760 HydrophobicContact CG2-CG1 3.92Å; V730-V760 HydrophobicContact CG2-CG2 4.41Å; V730-F764 HydrophobicContact CB-CE2 4.31Å; V730-F764 HydrophobicContact CB-CZ 4.31Å; V730-F764 HydrophobicContact CG1-CE2 4Å; V730-F764 HydrophobicContact CG1-CZ 4.21Å; V730-L782 HydrophobicContact CG1-CD2 3.45Å; V730-L782 VanDerWaalsContact CG1-CD2 3.45Å
731	Y	89.8	Confident	80.3	Confident	27 Å²	27	54.8 Å²	54.8	11%	0.106	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.4	177.8	170.9	-94.9	0	0	0	110.3	H717 C718 Q719 Q733 E744	H717-Y731 HydrophobicContact CB-CE1 4.3Å; H717-Y731 AromaticContact CD2-CD1 3.73Å; H717-Y731 AromaticContact CD2-CE1 3.76Å; C718-Y731 WeakPolarHBondContact CA-O 3.39Å; Q719-Y731 PolarHBondContact N-O 3.02Å; Q719-Y731 PolarHBondContact O-N 3.48Å; Y731-Q733 HydrophobicContact CE1-CB 4.03Å; Y731-Q733 PolarHBondContact OH-NE2 3.23Å; Y731-E744 HydrophobicContact CE2-CB 4.1Å; Y731-E744 HydrophobicContact CE2-CG 4.29Å; Y731-E744 WeakPolarHBondContact OH-CG 3.45Å; Y731-E744 PolarHBondContact OH-OE2 3.21Å
732	V	89.8	Confident	80.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.1	179.7	-176.2	0	0	0	0	109	F715 V730 M734 T745 F764 L778 L782	F715-V732 HydrophobicContact CD1-CG1 3.75Å; F715-V732 HydrophobicContact CE1-CG1 3.98Å; V730-V732 HydrophobicContact CG1-CG2 4.44Å; V732-M734 HydrophobicContact CG1-CG 3.82Å; V732-M734 HydrophobicContact CG1-SD 4.3Å; V732-T745 HydrophobicContact CB-CG2 4.16Å; V732-T745 PolarHBondContact N-O 3.03Å; V732-T745 WeakPolarHBondContact O-CG2 3.29Å; V732-T745 PolarHBondContact O-N 3.42Å; V732-F764 HydrophobicContact CB-CE1 4.21Å; V732-F764 HydrophobicContact CB-CZ 4.12Å; V732-F764 HydrophobicContact CG2-CD2 4.41Å; V732-F764 HydrophobicContact CG2-CE1 3.99Å; V732-F764 HydrophobicContact CG2-CE2 3.66Å; V732-F764 HydrophobicContact CG2-CZ 3.42Å; V732-F764 VanDerWaalsContact CG2-CZ 3.42Å; V732-L778 HydrophobicContact CG1-CD1 3.87Å; V732-L778 HydrophobicContact CG2-CD1 3.93Å; V732-L782 HydrophobicContact CG2-CD2 4.47Å
733	Q	88.8	Confident	80.5	Confident	28 Å²	28	55.3 Å²	55.3	13%	0.131	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.6	176.9	-168.8	-178.7	113.4	0	0	109.7	T716 H717 Y731 K742 E744	T716-Q733 PolarHBondContact N-O 3.03Å; T716-Q733 VanDerWaalsContact OG1-CD 3.29Å; T716-Q733 VanDerWaalsContact OG1-CG 3.23Å; T716-Q733 WeakPolarHBondContact OG1-CG 3.23Å; T716-Q733 PolarHBondContact OG1-OE1 3.38Å; H717-Q733 HydrophobicContact CB-CB 3.71Å; H717-Q733 PolarHBondContact O-N 3.47Å; Y731-Q733 HydrophobicContact CE1-CB 4.03Å; Y731-Q733 PolarHBondContact OH-NE2 3.23Å; Q733-K742 VanDerWaalsContact CG-CE 3.49Å; Q733-K742 VanDerWaalsContact NE2-NZ 3.17Å; Q733-E744 HydrophobicContact CB-CG 4.46Å; Q733-E744 HydrophobicContact CG-CG 3.85Å
734	M	88.4	Confident	80.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.4	-166.1	-52.2	171.3	69.1	0	0	109.8	A713 L714 F715 V732 F736 K742 R743 T745 L770	A713-M734 HydrophobicContact CB-CB 4.29Å; A713-M734 HydrophobicContact CB-CE 3.62Å; L714-M734 CarbonylContact O-C 3.56Å; F715-M734 HydrophobicContact CD1-CG 4.11Å; F715-M734 HydrophobicContact CE1-CE 4Å; F715-M734 HydrophobicContact CE1-CG 4.16Å; F715-M734 HydrophobicContact CZ-CE 4.42Å; V732-M734 HydrophobicContact CG1-CG 3.82Å; V732-M734 HydrophobicContact CG1-SD 4.3Å; M734-F736 HydrophobicContact CB-CE2 3.97Å; M734-F736 HydrophobicContact CE-CE2 3.96Å; M734-F736 HydrophobicContact CE-CZ 3.54Å; M734-K742 CarbonylContact O-C 3.56Å; M734-K742 WeakPolarHBondContact O-CA 3.43Å; M734-R743 HydrophobicContact CB-CB 4.37Å; M734-R743 PolarHBondContact N-O 2.82Å; M734-R743 PolarHBondContact O-N 2.87Å; M734-T745 HydrophobicContact SD-CG2 3.78Å; M734-L770 HydrophobicContact CE-CB 4.38Å; M734-L770 HydrophobicContact CE-CD1 3.33Å; M734-L770 HydrophobicContact CE-CG 4.46Å
735	W	84.7	Confident	81.9	Confident	99 Å²	99	56.5 Å²	56.5	38%	0.375	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	108.1	177.4	178.9	-99.8	0	0	0	110.1	L714 T716 V737 K742	L714-W735 HydrophobicContact CB-CB 4.36Å; L714-W735 WeakPolarHBondContact CB-O 3.2Å; L714-W735 PolarHBondContact N-O 3.26Å; L714-W735 PolarHBondContact O-N 3.01Å; T716-W735 HydrophobicContact CG2-CB 4.34Å; W735-V737 PolarHBondContact O-N 3.27Å; W735-K742 HydrophobicContact CE3-CB 3.72Å; W735-K742 HydrophobicContact CE3-CG 4.09Å; W735-K742 HydrophobicContact CZ3-CB 3.89Å
736	F	85	Confident	82.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	98.4	175.5	-64.5	-88.5	0	0	0	108.2	P709 H711 A713 M734 E738 D739 R740 L741 R743	P709-F736 HydrophobicContact CB-CD1 3.81Å; P709-F736 HydrophobicContact CB-CE1 3.56Å; P709-F736 HydrophobicContact CB-CE2 4.45Å; P709-F736 HydrophobicContact CB-CG 4.35Å; P709-F736 HydrophobicContact CB-CZ 3.9Å; P709-F736 HydrophobicContact CG-CD1 4.11Å; P709-F736 HydrophobicContact CG-CE1 3.32Å; P709-F736 HydrophobicContact CG-CE2 4.26Å; P709-F736 HydrophobicContact CG-CZ 3.4Å; H711-F736 WeakPolarHBondContact O-CD1 3.39Å; H711-F736 WeakPolarHBondContact O-CE1 3.34Å; A713-F736 HydrophobicContact CB-CD1 4.25Å; A713-F736 HydrophobicContact CB-CE1 3.7Å; A713-F736 HydrophobicContact CB-CE2 4.36Å; A713-F736 HydrophobicContact CB-CZ 3.78Å; M734-F736 HydrophobicContact CB-CE2 3.97Å; M734-F736 HydrophobicContact CE-CE2 3.96Å; M734-F736 HydrophobicContact CE-CZ 3.54Å; F736-E738 PolarHBondContact O-N 3.32Å; F736-D739 HydrophobicContact CB-CB 3.91Å; F736-D739 PolarHBondContact O-N 2.99Å; F736-R740 WeakPolarHBondContact O-CA 3.29Å; F736-R740 PolarHBondContact O-N 2.74Å; F736-L741 HydrophobicContact CB-CB 4.33Å; F736-L741 PolarHBondContact N-O 3.44Å; F736-L741 PolarHBondContact O-N 2.76Å; F736-R743 HydrophobicContact CD2-CG 4.14Å; F736-R743 HydrophobicContact CE2-CB 4.28Å; F736-R743 HydrophobicContact CE2-CG 3.9Å
737	V	77.2	Confident	83.7	Confident	86 Å²	86	54.6 Å²	54.6	52%	0.521	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-45.9	-170.1	179.2	0	0	0	0	112.1	W735 R740	W735-V737 PolarHBondContact O-N 3.27Å; V737-R740 PolarHBondContact O-N 3.45Å
738	E	80.6	Confident	84.2	Confident	131 Å²	131	54.6 Å²	54.6	61%	0.612	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-41.7	-176.7	-65.7	-178.7	-95.9	0	0	112.2	H711 F736 R740	H711-E738 HydrophobicContact CB-CB 4.05Å; H711-E738 VanDerWaalsContact CE1-CD 3.45Å; H711-E738 IonicContact CE1-OE1 2.73Å; H711-E738 IonicContact CE1-OE2 3.2Å; H711-E738 PolarHBondContact CE1-OE2 2.88Å; H711-E738 IonicContact CG-OE1 3.18Å; H711-E738 IonicContact ND1-OE1 3.32Å; H711-E738 PolarHBondContact ND1-OE1 3.25Å; H711-E738 IonicContact ND1-OE2 2.71Å; H711-E738 PolarHBondContact ND1-OE2 3.49Å; F736-E738 PolarHBondContact O-N 3.32Å; E738-R740 PolarHBondContact O-N 2.6Å
739	D	76.7	Confident	84.1	Confident	59 Å²	59	52.2 Å²	52.2	32%	0.316	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.8	172.1	-64.6	-55.2	0	0	0	112.5	S710 H711 F736 L741	S710-D739 PolarHBondContact OG-OD1 2.94Å; H711-D739 IonicContact CD2-OD1 3.56Å; H711-D739 PolarHBondContact CD2-OD1 3.01Å; H711-D739 IonicContact CD2-OD2 2.68Å; F736-D739 HydrophobicContact CB-CB 3.91Å; F736-D739 PolarHBondContact O-N 2.99Å; D739-L741 HydrophobicContact CB-CB 3.98Å; D739-L741 PolarHBondContact O-N 3.44Å
740	R	76.6	Confident	83.8	Confident	212 Å²	212	57.4 Å²	57.4	80%	0.8	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	33.5	-172	-60.5	-174	175.9	-154.5	-2.7	113.9	F736 V737 E738	F736-R740 WeakPolarHBondContact O-CA 3.29Å; F736-R740 PolarHBondContact O-N 2.74Å; V737-R740 PolarHBondContact O-N 3.45Å; E738-R740 PolarHBondContact O-N 2.6Å
741	L	75.9	Confident	83	Confident	69 Å²	69	60.1 Å²	60.1	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.9	-165.1	-179.3	62.4	0	0	0	111	F736 D739 R743	F736-L741 HydrophobicContact CB-CB 4.33Å; F736-L741 PolarHBondContact N-O 3.44Å; F736-L741 PolarHBondContact O-N 2.76Å; D739-L741 HydrophobicContact CB-CB 3.98Å; D739-L741 PolarHBondContact O-N 3.44Å; L741-R743 HydrophobicContact CD2-CG 4.21Å; L741-R743 VanDerWaalsContact CD2-NE 3.34Å; L741-R743 HydrophobicContact CG-CG 4.07Å
742	K	82	Confident	82.3	Confident	94 Å²	94	65 Å²	65	41%	0.409	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.2	162	-154.9	-176.5	-170.2	-158.7	0	108.9	Q733 M734 W735 E744	Q733-K742 VanDerWaalsContact CG-CE 3.49Å; Q733-K742 VanDerWaalsContact NE2-NZ 3.17Å; M734-K742 CarbonylContact O-C 3.56Å; M734-K742 WeakPolarHBondContact O-CA 3.43Å; W735-K742 HydrophobicContact CE3-CB 3.72Å; W735-K742 HydrophobicContact CE3-CG 4.09Å; W735-K742 HydrophobicContact CZ3-CB 3.89Å; K742-E744 VanDerWaalsContact CE-OE1 3.29Å; K742-E744 WeakPolarHBondContact CE-OE1 3.4Å; K742-E744 IonicContact NZ-OE1 3.66Å; K742-E744 PolarHBondContact NZ-OE1 2.89Å
743	R	81.4	Confident	81.7	Confident	42 Å²	42	67.6 Å²	67.6	16%	0.158	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.4	164.6	-60.9	-169.1	-178.3	-176.9	-9.5	109.1	M734 F736 L741 R768 C769	M734-R743 HydrophobicContact CB-CB 4.37Å; M734-R743 PolarHBondContact N-O 2.82Å; M734-R743 PolarHBondContact O-N 2.87Å; F736-R743 HydrophobicContact CD2-CG 4.14Å; F736-R743 HydrophobicContact CE2-CB 4.28Å; F736-R743 HydrophobicContact CE2-CG 3.9Å; L741-R743 HydrophobicContact CD2-CG 4.21Å; L741-R743 VanDerWaalsContact CD2-NE 3.34Å; L741-R743 HydrophobicContact CG-CG 4.07Å; R743-R768 PolarHBondContact NH1-O 3.02Å; R743-C769 PolarHBondContact NH1-O 3.41Å
744	E	87.3	Confident	80.8	Confident	83 Å²	83	68.3 Å²	68.3	39%	0.388	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.8	169.9	-74.2	-179.3	-141.3	0	0	106.1	Y731 Q733 K742	Y731-E744 HydrophobicContact CE2-CB 4.1Å; Y731-E744 HydrophobicContact CE2-CG 4.29Å; Y731-E744 WeakPolarHBondContact OH-CG 3.45Å; Y731-E744 PolarHBondContact OH-OE2 3.21Å; Q733-E744 HydrophobicContact CB-CG 4.46Å; Q733-E744 HydrophobicContact CG-CG 3.85Å; K742-E744 VanDerWaalsContact CE-OE1 3.29Å; K742-E744 WeakPolarHBondContact CE-OE1 3.4Å; K742-E744 IonicContact NZ-OE1 3.66Å; K742-E744 PolarHBondContact NZ-OE1 2.89Å
745	T	84	Confident	80.1	Confident	17 Å²	17	72.6 Å²	72.6	10%	0.104	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.5	-171.6	177.2	0	0	0	0	109	V732 M734 F764 C769	V732-T745 HydrophobicContact CB-CG2 4.16Å; V732-T745 PolarHBondContact N-O 3.03Å; V732-T745 WeakPolarHBondContact O-CG2 3.29Å; V732-T745 PolarHBondContact O-N 3.42Å; M734-T745 HydrophobicContact SD-CG2 3.78Å; T745-F764 HydrophobicContact CG2-CD1 3.81Å; T745-F764 HydrophobicContact CG2-CE1 3.65Å; T745-C769 HydrophobicContact CG2-CB 4.37Å
746	Y	87.7	Confident	80	Confident	35 Å²	35	71.8 Å²	71.8	14%	0.137	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.4	174.1	60.5	-106.2	0	0	0	111.9	V700 H701 Q729 V730	V700-Y746 VanDerWaalsContact C-OH 3.32Å; V700-Y746 WeakPolarHBondContact O-CE1 3.2Å; H701-Y746 VanDerWaalsContact CA-OH 3.28Å; H701-Y746 WeakPolarHBondContact CA-OH 3.38Å; H701-Y746 PolarHBondContact CD2-OH 3.31Å; H701-Y746 VanDerWaalsContact CD2-OH 3.24Å; H701-Y746 AromaticContact CE1-CE2 3.96Å; H701-Y746 PolarHBondContact N-OH 3.47Å; H701-Y746 VanDerWaalsContact N-OH 3.14Å; H701-Y746 AromaticContact NE2-CE2 3.92Å; Q729-Y746 HydrophobicContact CG-CD2 4.28Å; Q729-Y746 HydrophobicContact CG-CG 4.21Å; V730-Y746 CarbonylContact O-C 3.38Å; V730-Y746 WeakPolarHBondContact O-CA 3.15Å; V730-Y746 WeakPolarHBondContact O-CB 3.42Å
747	V	87.1	Confident	80	Confident	19 Å²	19	73.6 Å²	73.6	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.4	173.9	175.9	0	0	0	0	107.2	V730 V749 L763 F764	V730-V747 PolarHBondContact N-O 3.02Å; V730-V747 PolarHBondContact O-N 2.82Å; V747-V749 HydrophobicContact CG1-CG1 3.68Å; V747-L763 HydrophobicContact CG1-CB 3.76Å; V747-L763 HydrophobicContact CG1-CD1 3.65Å; V747-L763 HydrophobicContact CG1-CG 4.27Å; V747-L763 HydrophobicContact CG2-CB 4.08Å; V747-F764 HydrophobicContact CB-CE1 4.39Å; V747-F764 HydrophobicContact CB-CE2 4.26Å; V747-F764 HydrophobicContact CB-CZ 4.04Å; V747-F764 HydrophobicContact CG2-CD1 3.77Å; V747-F764 HydrophobicContact CG2-CD2 4.09Å; V747-F764 HydrophobicContact CG2-CE1 3.6Å; V747-F764 HydrophobicContact CG2-CE2 3.93Å; V747-F764 HydrophobicContact CG2-CG 4.01Å; V747-F764 HydrophobicContact CG2-CZ 3.68Å
748	Q	84.7	Confident	80.4	Confident	88 Å²	88	72.6 Å²	72.6	41%	0.411	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.5	169.3	-174.2	167.4	78.8	0	0	108.9	V723 R727 W728	V723-Q748 VanDerWaalsContact CG2-NE2 3.31Å; R727-Q748 HydrophobicContact CB-CG 3.93Å; R727-Q748 HydrophobicContact CG-CG 4.36Å; W728-Q748 CarbonylContact O-C 3.47Å; W728-Q748 VanDerWaalsContact O-CA 3.32Å; W728-Q748 WeakPolarHBondContact O-CA 3.35Å
749	V	82.6	Confident	80.6	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.4	179.1	-61.1	0	0	0	0	110.4	R727 W728 V730 V747 E753 W754 V760 L763	R727-V749 WeakPolarHBondContact CA-O 3.15Å; W728-V749 HydrophobicContact CB-CG2 4Å; W728-V749 PolarHBondContact N-O 2.92Å; W728-V749 PolarHBondContact O-N 3.25Å; V730-V749 HydrophobicContact CG2-CG2 4.07Å; V747-V749 HydrophobicContact CG1-CG1 3.68Å; V749-E753 HydrophobicContact CB-CB 4Å; V749-W754 HydrophobicContact CG2-CB 3.77Å; V749-V760 HydrophobicContact CG1-CG2 4.15Å; V749-L763 HydrophobicContact CG1-CD1 3.82Å
750	F	79.6	Confident	81.1	Confident	114 Å²	114	69 Å²	69	50%	0.5	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	166.7	178.6	-69.7	-80.7	0	0	0	112.8	G726 R727 N752 E753 W754	G726-F750 CarbonylContact O-C 3.55Å; G726-F750 WeakPolarHBondContact O-CA 3.35Å; R727-F750 HydrophobicContact CG-CD1 3.75Å; R727-F750 HydrophobicContact CG-CE1 3.73Å; F750-N752 VanDerWaalsContact CB-OD1 3.26Å; F750-N752 WeakPolarHBondContact CB-OD1 3.26Å; F750-N752 PolarHBondContact O-N 3.42Å; F750-E753 HydrophobicContact CB-CG 4.39Å; F750-E753 WeakPolarHBondContact CD2-OE2 3.23Å; F750-E753 PolarHBondContact N-OE2 2.98Å; F750-E753 WeakPolarHBondContact O-CA 3.3Å; F750-E753 PolarHBondContact O-N 2.9Å; F750-W754 PolarHBondContact O-N 3.33Å; F750-W754 VanDerWaalsContact O-N 3.11Å
751	D	73.5	Confident	81.8	Confident	57 Å²	57	58.9 Å²	58.9	31%	0.305	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.7	-176.7	-153.7	17.4	0	0	0	113.5	G726 W728 W754 H755	G726-D751 PolarHBondContact O-N 3.37Å; W728-D751 PolarHBondContact NE1-OD1 2.96Å; D751-W754 PolarHBondContact O-NE1 3.49Å; D751-W754 VanDerWaalsContact O-NE1 3.1Å; D751-W754 PolarHBondContact OD1-NE1 2.96Å; D751-H755 PolarHBondContact O-ND1 3.28Å
752	N	75.9	Confident	82.3	Confident	129 Å²	129	58.3 Å²	58.3	69%	0.69	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.8	171.4	65.5	-68.9	0	0	0	114.2	F750	F750-N752 VanDerWaalsContact CB-OD1 3.26Å; F750-N752 WeakPolarHBondContact CB-OD1 3.26Å; F750-N752 PolarHBondContact O-N 3.42Å
753	E	75.4	Confident	82.6	Confident	55 Å²	55	56.2 Å²	56.2	26%	0.257	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-31.3	-174.4	-65.4	-177.9	133.9	0	0	113.8	V749 F750 H755 D756	V749-E753 HydrophobicContact CB-CB 4Å; F750-E753 HydrophobicContact CB-CG 4.39Å; F750-E753 WeakPolarHBondContact CD2-OE2 3.23Å; F750-E753 PolarHBondContact N-OE2 2.98Å; F750-E753 WeakPolarHBondContact O-CA 3.3Å; F750-E753 PolarHBondContact O-N 2.9Å; E753-H755 PolarHBondContact O-N 2.93Å; E753-D756 PolarHBondContact O-N 3.35Å
754	W	71.7	Confident	83	Confident	43 Å²	43	54.2 Å²	54.2	16%	0.163	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.4	-177.9	73.1	-85.5	0	0	0	114.6	Y720 W728 V749 F750 D751 D756 R786	Y720-W754 HydrophobicContact CD1-CB 4.2Å; Y720-W754 HydrophobicContact CD1-CE3 4.37Å; Y720-W754 HydrophobicContact CE1-CB 4Å; Y720-W754 HydrophobicContact CE1-CE3 4.48Å; Y720-W754 WeakPolarHBondContact CE1-O 3.48Å; W728-W754 HydrophobicContact CB-CB 4.09Å; W728-W754 AromaticContact CD1-CD1 3.35Å; W728-W754 AromaticContact CD1-CG 3.69Å; W728-W754 AromaticContact CD1-NE1 3.93Å; W728-W754 HydrophobicContact CD2-CB 4.4Å; W728-W754 HydrophobicContact CD2-CD2 4.36Å; W728-W754 HydrophobicContact CD2-CG 4.14Å; W728-W754 AromaticContact CE2-CD1 3.84Å; W728-W754 AromaticContact CE2-CE2 3.89Å; W728-W754 AromaticContact CE2-CG 3.99Å; W728-W754 AromaticContact CE2-NE1 3.71Å; W728-W754 HydrophobicContact CG-CB 3.88Å; W728-W754 AromaticContact CG-CG 3.95Å; W728-W754 HydrophobicContact CG-CG 3.95Å; W728-W754 HydrophobicContact CZ2-CD2 4.31Å; W728-W754 AromaticContact CZ2-CE2 3.91Å; W728-W754 HydrophobicContact CZ2-CZ2 4.1Å; W728-W754 AromaticContact NE1-CD1 3.19Å; W728-W754 AromaticContact NE1-CE2 3.92Å; W728-W754 AromaticContact NE1-CG 3.71Å; W728-W754 AromaticContact NE1-NE1 3.25Å; V749-W754 HydrophobicContact CG2-CB 3.77Å; F750-W754 PolarHBondContact O-N 3.33Å; F750-W754 VanDerWaalsContact O-N 3.11Å; D751-W754 PolarHBondContact O-NE1 3.49Å; D751-W754 VanDerWaalsContact O-NE1 3.1Å; D751-W754 PolarHBondContact OD1-NE1 2.96Å; W754-D756 VanDerWaalsContact C-N 3.26Å; W754-D756 PolarHBondContact O-N 2.68Å; W754-R786 HydrophobicContact CE3-CG 3.92Å; W754-R786 HydrophobicContact CZ3-CG 3.58Å
755	H	72.7	Confident	82.9	Confident	91 Å²	91	53.3 Å²	53.3	42%	0.421	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.4	175.3	-73.1	80.3	0	0	0	112.4	D751 E753 Y757 R786	D751-H755 PolarHBondContact O-ND1 3.28Å; E753-H755 PolarHBondContact O-N 2.93Å; H755-Y757 PolarHBondContact O-N 2.74Å; H755-R786 PolarHBondContact CD2-NH2 3.13Å; H755-R786 VanDerWaalsContact CD2-NH2 3.29Å; H755-R786 PolarHBondContact O-NH1 2.72Å
756	D	82.1	Confident	82.9	Confident	82 Å²	82	56.3 Å²	56.3	44%	0.439	28%	0.279	S	S	.	.			trans	-91.7	84.2	-175	-173.7	-13.8	0	0	0	109.9	E753 W754 E758 R759 V760	E753-D756 PolarHBondContact O-N 3.35Å; W754-D756 VanDerWaalsContact C-N 3.26Å; W754-D756 PolarHBondContact O-N 2.68Å; D756-E758 PolarHBondContact O-N 2.84Å; D756-E758 PolarHBondContact OD1-N 3.1Å; D756-R759 HydrophobicContact CB-CB 3.82Å; D756-R759 WeakPolarHBondContact O-CB 3.28Å; D756-R759 PolarHBondContact O-N 3.05Å; D756-R759 VanDerWaalsContact O-N 3.17Å; D756-R759 WeakPolarHBondContact OD1-CB 3.31Å; D756-R759 PolarHBondContact OD1-N 2.7Å; D756-R759 WeakPolarHBondContact OD2-CB 3.36Å; D756-V760 WeakPolarHBondContact O-CG2 3.26Å; D756-V760 PolarHBondContact O-N 3.44Å
757	Y	85.5	Confident	82.6	Confident	38 Å²	38	56.2 Å²	56.2	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-17.7	179.2	51.4	-105.7	0	0	0	113.3	H755 A761 V779 L782 A783 H822	H755-Y757 PolarHBondContact O-N 2.74Å; Y757-A761 WeakPolarHBondContact O-CB 3.08Å; Y757-A761 PolarHBondContact O-N 2.64Å; Y757-V779 HydrophobicContact CD2-CG1 3.91Å; Y757-V779 HydrophobicContact CE2-CG1 3.99Å; Y757-L782 WeakPolarHBondContact O-CD1 3.43Å; Y757-A783 HydrophobicContact CD1-CB 4.11Å; Y757-A783 HydrophobicContact CE1-CB 4.16Å; Y757-A783 HydrophobicContact CG-CB 4.3Å; Y757-H822 PolarHBondContact OH-CE1 3.06Å; Y757-H822 PolarHBondContact OH-ND1 2.8Å
758	E	85.4	Confident	82.4	Confident	65 Å²	65	62 Å²	62	30%	0.304	30%	0.303	S	S	.	.	H	α-helix	trans	-73.7	-45.5	170.5	-69.9	-148	-130.7	0	0	110.4	D756 V760 A761 D762 R775 V779	D756-E758 PolarHBondContact O-N 2.84Å; D756-E758 PolarHBondContact OD1-N 3.1Å; E758-V760 VanDerWaalsContact C-N 3.29Å; E758-V760 PolarHBondContact O-N 3.36Å; E758-A761 PolarHBondContact O-N 3.34Å; E758-A761 VanDerWaalsContact O-N 3.15Å; E758-D762 VanDerWaalsContact O-CG 3.3Å; E758-D762 PolarHBondContact O-N 2.68Å; E758-R775 IonicContact OE2-CZ 2.69Å; E758-R775 IonicContact OE2-NH1 2.95Å; E758-R775 PolarHBondContact OE2-NH1 3.3Å; E758-R775 IonicContact OE2-NH2 3.05Å; E758-R775 PolarHBondContact OE2-NH2 3.4Å; E758-V779 HydrophobicContact CG-CG1 4.39Å; E758-V779 HydrophobicContact CG-CG2 4.38Å
759	R	85	Confident	82.1	Confident	114 Å²	114	58.1 Å²	58.1	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-37.4	172.4	-178.6	60.1	177.8	160.5	3	112.7	D756 D762 L763	D756-R759 HydrophobicContact CB-CB 3.82Å; D756-R759 WeakPolarHBondContact O-CB 3.28Å; D756-R759 PolarHBondContact O-N 3.05Å; D756-R759 VanDerWaalsContact O-N 3.17Å; D756-R759 WeakPolarHBondContact OD1-CB 3.31Å; D756-R759 PolarHBondContact OD1-N 2.7Å; D756-R759 WeakPolarHBondContact OD2-CB 3.36Å; R759-D762 PolarHBondContact O-N 2.72Å; R759-L763 WeakPolarHBondContact O-CG 3.13Å; R759-L763 PolarHBondContact O-N 2.69Å; R759-L763 VanDerWaalsContact O-N 3.17Å
760	V	87.9	Confident	82.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-45.4	172.9	174.3	0	0	0	0	110.9	V730 V749 D756 E758 D762 L763 F764 L782	V730-V760 HydrophobicContact CB-CG1 4.15Å; V730-V760 HydrophobicContact CG1-CG1 3.91Å; V730-V760 HydrophobicContact CG2-CG1 3.92Å; V730-V760 HydrophobicContact CG2-CG2 4.41Å; V749-V760 HydrophobicContact CG1-CG2 4.15Å; D756-V760 WeakPolarHBondContact O-CG2 3.26Å; D756-V760 PolarHBondContact O-N 3.44Å; E758-V760 VanDerWaalsContact C-N 3.29Å; E758-V760 PolarHBondContact O-N 3.36Å; V760-D762 VanDerWaalsContact C-N 3.34Å; V760-D762 PolarHBondContact O-N 3.32Å; V760-L763 PolarHBondContact O-N 3.46Å; V760-F764 HydrophobicContact CG1-CD2 4.08Å; V760-F764 HydrophobicContact CG1-CE2 3.72Å; V760-F764 VanDerWaalsContact O-CD2 3.25Å; V760-F764 WeakPolarHBondContact O-CD2 3.45Å; V760-F764 PolarHBondContact O-N 2.84Å; V760-L782 HydrophobicContact CB-CD1 4.06Å; V760-L782 HydrophobicContact CG1-CD1 3.66Å; V760-L782 HydrophobicContact CG1-CD2 3.9Å; V760-L782 HydrophobicContact CG1-CG 4.45Å
761	A	90.1	Very high	82.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-39.1	176.3	0	0	0	0	0	112.5	Y757 E758 L763 F764 E765 R775 L778 V779 L782	Y757-A761 WeakPolarHBondContact O-CB 3.08Å; Y757-A761 PolarHBondContact O-N 2.64Å; E758-A761 PolarHBondContact O-N 3.34Å; E758-A761 VanDerWaalsContact O-N 3.15Å; A761-L763 VanDerWaalsContact C-N 3.27Å; A761-L763 PolarHBondContact O-N 2.93Å; A761-F764 PolarHBondContact O-N 3.15Å; A761-E765 PolarHBondContact O-N 3.43Å; A761-R775 HydrophobicContact CB-CG 4.12Å; A761-L778 HydrophobicContact CB-CD2 4.45Å; A761-V779 HydrophobicContact CB-CG2 3.53Å; A761-L782 HydrophobicContact CB-CD1 4.07Å
762	D	87.4	Confident	82.9	Confident	58 Å²	58	54.9 Å²	54.9	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-34.4	174.7	-69.8	-8.7	0	0	0	112.3	E758 R759 V760 E765 A766 R775	E758-D762 VanDerWaalsContact O-CG 3.3Å; E758-D762 PolarHBondContact O-N 2.68Å; R759-D762 PolarHBondContact O-N 2.72Å; V760-D762 VanDerWaalsContact C-N 3.34Å; V760-D762 PolarHBondContact O-N 3.32Å; D762-E765 PolarHBondContact O-N 3.12Å; D762-A766 WeakPolarHBondContact O-CB 3.14Å; D762-A766 PolarHBondContact O-N 3.06Å; D762-R775 IonicContact OD1-CZ 2.75Å; D762-R775 IonicContact OD1-NE 3.67Å; D762-R775 PolarHBondContact OD1-NE 2.85Å; D762-R775 IonicContact OD1-NH2 2.71Å; D762-R775 PolarHBondContact OD1-NH2 3.05Å; D762-R775 IonicContact OD2-NH2 3.73Å
763	L	88.5	Confident	83.3	Confident	50 Å²	50	53.4 Å²	53.4	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-69.4	-38.4	175.9	-70.2	165.9	0	0	0	111.5	V747 V749 R759 V760 A761 S767	V747-L763 HydrophobicContact CG1-CB 3.76Å; V747-L763 HydrophobicContact CG1-CD1 3.65Å; V747-L763 HydrophobicContact CG1-CG 4.27Å; V747-L763 HydrophobicContact CG2-CB 4.08Å; V749-L763 HydrophobicContact CG1-CD1 3.82Å; R759-L763 WeakPolarHBondContact O-CG 3.13Å; R759-L763 PolarHBondContact O-N 2.69Å; R759-L763 VanDerWaalsContact O-N 3.17Å; V760-L763 PolarHBondContact O-N 3.46Å; A761-L763 VanDerWaalsContact C-N 3.27Å; A761-L763 PolarHBondContact O-N 2.93Å; L763-S767 WeakPolarHBondContact O-CB 3.37Å; L763-S767 PolarHBondContact O-N 2.92Å; L763-S767 VanDerWaalsContact O-N 3.14Å
764	F	88.4	Confident	83.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-45.2	171.4	-74.5	-70.8	0	0	0	111.8	V730 V732 T745 V747 V760 A761 S767 C769 L770 L778	V730-F764 HydrophobicContact CB-CE2 4.31Å; V730-F764 HydrophobicContact CB-CZ 4.31Å; V730-F764 HydrophobicContact CG1-CE2 4Å; V730-F764 HydrophobicContact CG1-CZ 4.21Å; V732-F764 HydrophobicContact CB-CE1 4.21Å; V732-F764 HydrophobicContact CB-CZ 4.12Å; V732-F764 HydrophobicContact CG2-CD2 4.41Å; V732-F764 HydrophobicContact CG2-CE1 3.99Å; V732-F764 HydrophobicContact CG2-CE2 3.66Å; V732-F764 HydrophobicContact CG2-CZ 3.42Å; V732-F764 VanDerWaalsContact CG2-CZ 3.42Å; T745-F764 HydrophobicContact CG2-CD1 3.81Å; T745-F764 HydrophobicContact CG2-CE1 3.65Å; V747-F764 HydrophobicContact CB-CE1 4.39Å; V747-F764 HydrophobicContact CB-CE2 4.26Å; V747-F764 HydrophobicContact CB-CZ 4.04Å; V747-F764 HydrophobicContact CG2-CD1 3.77Å; V747-F764 HydrophobicContact CG2-CD2 4.09Å; V747-F764 HydrophobicContact CG2-CE1 3.6Å; V747-F764 HydrophobicContact CG2-CE2 3.93Å; V747-F764 HydrophobicContact CG2-CG 4.01Å; V747-F764 HydrophobicContact CG2-CZ 3.68Å; V760-F764 HydrophobicContact CG1-CD2 4.08Å; V760-F764 HydrophobicContact CG1-CE2 3.72Å; V760-F764 VanDerWaalsContact O-CD2 3.25Å; V760-F764 WeakPolarHBondContact O-CD2 3.45Å; V760-F764 PolarHBondContact O-N 2.84Å; A761-F764 PolarHBondContact O-N 3.15Å; F764-S767 PolarHBondContact O-N 2.98Å; F764-S767 PolarHBondContact O-OG 2.66Å; F764-C769 PolarHBondContact O-SG 3.43Å; F764-L770 HydrophobicContact CB-CD2 4.37Å; F764-L778 HydrophobicContact CB-CD2 3.8Å; F764-L778 HydrophobicContact CD2-CD2 3.82Å; F764-L778 HydrophobicContact CG-CD2 3.97Å
765	E	86	Confident	84.8	Confident	64 Å²	64	51.5 Å²	51.5	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-46.9	176.6	-170.9	174.2	179.5	0	0	112	A761 D762 S767 R768 L770 P772 R775	A761-E765 PolarHBondContact O-N 3.43Å; D762-E765 PolarHBondContact O-N 3.12Å; E765-S767 PolarHBondContact O-N 3.17Å; E765-R768 PolarHBondContact O-N 3.39Å; E765-L770 HydrophobicContact CB-CD2 4.32Å; E765-P772 WeakPolarHBondContact OE1-CB 3.46Å; E765-R775 WeakPolarHBondContact OE2-CD 3.16Å
766	A	84.4	Confident	85.3	Confident	80 Å²	80	50.1 Å²	50.1	66%	0.661	27%	0.265	S	S	*	.	H	α-helix	trans	-60.3	-29.4	177.2	0	0	0	0	0	113.1	D762 R768	D762-A766 WeakPolarHBondContact O-CB 3.14Å; D762-A766 PolarHBondContact O-N 3.06Å; A766-R768 PolarHBondContact O-N 3.18Å
767	S	81.8	Confident	85.5	Confident	32 Å²	32	49.2 Å²	49.2	22%	0.224	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.3	176	82.2	0	0	0	0	114.7	P704 L763 F764 E765 C769	P704-S767 WeakPolarHBondContact CB-O 3.41Å; L763-S767 WeakPolarHBondContact O-CB 3.37Å; L763-S767 PolarHBondContact O-N 2.92Å; L763-S767 VanDerWaalsContact O-N 3.14Å; F764-S767 PolarHBondContact O-N 2.98Å; F764-S767 PolarHBondContact O-OG 2.66Å; E765-S767 PolarHBondContact O-N 3.17Å; S767-C769 PolarHBondContact O-N 2.83Å; S767-C769 VanDerWaalsContact O-N 3.15Å; S767-C769 PolarHBondContact OG-N 3.49Å; S767-C769 PolarHBondContact OG-SG 3.35Å
768	R	81.6	Confident	85.7	Confident	140 Å²	140	47.4 Å²	47.4	53%	0.528	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	11.5	-174.9	-54.7	-177.7	175.1	-162.7	-3	115.1	P705 E706 A708 R743 E765 A766 L770	P705-R768 HydrophobicContact CG-CB 4.33Å; P705-R768 WeakPolarHBondContact CG-O 3.36Å; E706-R768 PolarHBondContact O-NH1 3.41Å; A708-R768 HydrophobicContact CB-CB 4.45Å; R743-R768 PolarHBondContact NH1-O 3.02Å; E765-R768 PolarHBondContact O-N 3.39Å; A766-R768 PolarHBondContact O-N 3.18Å; R768-L770 PolarHBondContact O-N 3.18Å
769	C	79.8	Confident	85.8	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.054	25%	0.245	C	C	.	.	S	Bend	trans	-70.7	-25.3	174.9	74.5	0	0	0	0	112.4	R743 T745 F764 S767	R743-C769 PolarHBondContact NH1-O 3.41Å; T745-C769 HydrophobicContact CG2-CB 4.37Å; F764-C769 PolarHBondContact O-SG 3.43Å; S767-C769 PolarHBondContact O-N 2.83Å; S767-C769 VanDerWaalsContact O-N 3.15Å; S767-C769 PolarHBondContact OG-N 3.49Å; S767-C769 PolarHBondContact OG-SG 3.35Å
770	L	84.2	Confident	85.7	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	-110.6	151.3	-169.9	-171.9	69	0	0	0	111.7	F715 M734 F764 E765 R768 D774 R775 L778	F715-L770 HydrophobicContact CE1-CD1 4.16Å; F715-L770 HydrophobicContact CZ-CD1 3.84Å; M734-L770 HydrophobicContact CE-CB 4.38Å; M734-L770 HydrophobicContact CE-CD1 3.33Å; M734-L770 HydrophobicContact CE-CG 4.46Å; F764-L770 HydrophobicContact CB-CD2 4.37Å; E765-L770 HydrophobicContact CB-CD2 4.32Å; R768-L770 PolarHBondContact O-N 3.18Å; L770-D774 HydrophobicContact CD1-CB 3.49Å; L770-D774 VanDerWaalsContact CD1-CB 3.49Å; L770-D774 HydrophobicContact CG-CB 4.11Å; L770-R775 HydrophobicContact CD2-CB 4.42Å; L770-L778 HydrophobicContact CD1-CD2 4.29Å; L770-L778 HydrophobicContact CD2-CD2 3.74Å
771	N	82.7	Confident	85.5	Confident	23 Å²	23	47.2 Å²	47.2	12%	0.123	25%	0.254	C	S	.	.			trans	-86.9	133.8	166.8	-175	-29.9	0	0	0	108.8	P709 S710 H711 V773 D774	P709-N771 HydrophobicContact CG-CB 4.34Å; S710-N771 PolarHBondContact O-ND2 3.3Å; H711-N771 PolarHBondContact O-ND2 3.49Å; H711-N771 VanDerWaalsContact O-ND2 3.16Å; N771-V773 PolarHBondContact O-N 3.39Å; N771-V773 PolarHBondContact OD1-N 3.07Å; N771-D774 WeakPolarHBondContact CB-OD2 3.39Å; N771-D774 WeakPolarHBondContact O-CB 3.26Å; N771-D774 PolarHBondContact O-N 2.82Å
772	P	83.6	Confident	85.4	Confident	79 Å²	79	47.2 Å²	47.2	51%	0.513	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-51.9	-27.9	-179.2	-31.6	37.4	0	0	0	115.5	E765 D774 R775	E765-P772 WeakPolarHBondContact OE1-CB 3.46Å; P772-D774 VanDerWaalsContact C-N 3.27Å; P772-D774 PolarHBondContact O-N 2.78Å; P772-R775 PolarHBondContact O-N 3.19Å
773	V	84.9	Confident	85.1	Confident	98 Å²	98	45.8 Å²	45.8	59%	0.594	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-60.5	-37.6	173.7	-179.5	0	0	0	0	111.7	N771 R775 S776	N771-V773 PolarHBondContact O-N 3.39Å; N771-V773 PolarHBondContact OD1-N 3.07Å; V773-R775 PolarHBondContact O-N 3.05Å; V773-S776 PolarHBondContact O-OG 3.46Å
774	D	88.3	Confident	84.3	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.011	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-77.5	-15.9	-174.7	-60.9	-33.1	0	0	0	113.5	P712 A713 F715 L770 N771 P772 S776 N777 L778	P712-D774 WeakPolarHBondContact CA-OD1 3.41Å; P712-D774 WeakPolarHBondContact CB-OD1 3.22Å; A713-D774 WeakPolarHBondContact CB-OD2 3.49Å; A713-D774 PolarHBondContact N-OD1 3.24Å; A713-D774 PolarHBondContact N-OD2 3.29Å; F715-D774 HydrophobicContact CE2-CB 4.21Å; F715-D774 HydrophobicContact CZ-CB 3.98Å; L770-D774 HydrophobicContact CD1-CB 3.49Å; L770-D774 VanDerWaalsContact CD1-CB 3.49Å; L770-D774 HydrophobicContact CG-CB 4.11Å; N771-D774 WeakPolarHBondContact CB-OD2 3.39Å; N771-D774 WeakPolarHBondContact O-CB 3.26Å; N771-D774 PolarHBondContact O-N 2.82Å; P772-D774 VanDerWaalsContact C-N 3.27Å; P772-D774 PolarHBondContact O-N 2.78Å; D774-S776 PolarHBondContact O-N 3.29Å; D774-N777 PolarHBondContact O-N 2.98Å; D774-L778 PolarHBondContact O-N 3.44Å
775	R	89.8	Confident	83.8	Confident	55 Å²	55	45 Å²	45	21%	0.208	25%	0.247	C	C	.	.	H	α-helix	trans	-51.3	-43.3	178.9	-171.1	-155	-179.9	-101.3	5.4	111.2	E758 A761 D762 E765 L770 P772 V773 N777 L778 V779	E758-R775 IonicContact OE2-CZ 2.69Å; E758-R775 IonicContact OE2-NH1 2.95Å; E758-R775 PolarHBondContact OE2-NH1 3.3Å; E758-R775 IonicContact OE2-NH2 3.05Å; E758-R775 PolarHBondContact OE2-NH2 3.4Å; A761-R775 HydrophobicContact CB-CG 4.12Å; D762-R775 IonicContact OD1-CZ 2.75Å; D762-R775 IonicContact OD1-NE 3.67Å; D762-R775 PolarHBondContact OD1-NE 2.85Å; D762-R775 IonicContact OD1-NH2 2.71Å; D762-R775 PolarHBondContact OD1-NH2 3.05Å; D762-R775 IonicContact OD2-NH2 3.73Å; E765-R775 WeakPolarHBondContact OE2-CD 3.16Å; L770-R775 HydrophobicContact CD2-CB 4.42Å; P772-R775 PolarHBondContact O-N 3.19Å; V773-R775 PolarHBondContact O-N 3.05Å; R775-N777 VanDerWaalsContact C-N 3.28Å; R775-N777 PolarHBondContact O-N 3.27Å; R775-L778 PolarHBondContact O-N 3.05Å; R775-V779 HydrophobicContact CG-CG2 4.47Å; R775-V779 WeakPolarHBondContact O-CB 3.47Å; R775-V779 WeakPolarHBondContact O-CG2 3.48Å; R775-V779 PolarHBondContact O-N 3.3Å
776	S	85	Confident	83.1	Confident	63 Å²	63	45 Å²	45	44%	0.441	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-29.4	-179.4	68	0	0	0	0	113.9	V773 D774 R780	V773-S776 PolarHBondContact O-OG 3.46Å; D774-S776 PolarHBondContact O-N 3.29Å; S776-R780 WeakPolarHBondContact O-CD 2.93Å; S776-R780 WeakPolarHBondContact O-CG 3.26Å
777	N	84.4	Confident	82.2	Confident	62 Å²	62	47 Å²	47	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-81.9	-47.2	174	-70.7	-27.5	0	0	0	110.3	F715 D774 R775 V779 R780 L781	F715-N777 HydrophobicContact CE2-CB 3.94Å; D774-N777 PolarHBondContact O-N 2.98Å; R775-N777 VanDerWaalsContact C-N 3.28Å; R775-N777 PolarHBondContact O-N 3.27Å; N777-V779 VanDerWaalsContact C-N 3.28Å; N777-V779 PolarHBondContact O-N 2.85Å; N777-R780 WeakPolarHBondContact O-CB 3.41Å; N777-R780 PolarHBondContact O-N 2.98Å; N777-R780 PolarHBondContact OD1-NH1 2.82Å; N777-L781 WeakPolarHBondContact O-CG 3.27Å; N777-L781 PolarHBondContact O-N 3.31Å
778	L	89.7	Confident	81.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.7	-41.9	178	-178.7	56.5	0	0	0	112.3	F715 V732 A761 F764 L770 D774 R775 R780 L781 L782	F715-L778 HydrophobicContact CD1-CD1 4.31Å; F715-L778 HydrophobicContact CE1-CB 4.02Å; F715-L778 HydrophobicContact CE1-CD1 3.83Å; F715-L778 HydrophobicContact CE1-CG 4.34Å; F715-L778 HydrophobicContact CZ-CB 3.81Å; F715-L778 HydrophobicContact CZ-CD1 4.48Å; V732-L778 HydrophobicContact CG1-CD1 3.87Å; V732-L778 HydrophobicContact CG2-CD1 3.93Å; A761-L778 HydrophobicContact CB-CD2 4.45Å; F764-L778 HydrophobicContact CB-CD2 3.8Å; F764-L778 HydrophobicContact CD2-CD2 3.82Å; F764-L778 HydrophobicContact CG-CD2 3.97Å; L770-L778 HydrophobicContact CD1-CD2 4.29Å; L770-L778 HydrophobicContact CD2-CD2 3.74Å; D774-L778 PolarHBondContact O-N 3.44Å; R775-L778 PolarHBondContact O-N 3.05Å; L778-R780 VanDerWaalsContact C-N 3.3Å; L778-R780 PolarHBondContact O-N 2.94Å; L778-L781 PolarHBondContact O-N 2.98Å; L778-L782 HydrophobicContact CD1-CD1 4.02Å; L778-L782 HydrophobicContact CD1-CD2 4.34Å; L778-L782 HydrophobicContact CD1-CG 3.81Å; L778-L782 HydrophobicContact CD2-CD1 4.41Å; L778-L782 HydrophobicContact CG-CD1 3.76Å; L778-L782 HydrophobicContact CG-CG 4.08Å; L778-L782 WeakPolarHBondContact O-CB 3.42Å; L778-L782 VanDerWaalsContact O-CG 3.28Å; L778-L782 WeakPolarHBondContact O-CG 3.48Å; L778-L782 PolarHBondContact O-N 2.73Å
779	V	88.4	Confident	80.1	Confident	24 Å²	24	44.6 Å²	44.6	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-54.8	-42.8	174.2	161	0	0	0	0	112.5	Y757 E758 A761 R775 N777 A783	Y757-V779 HydrophobicContact CD2-CG1 3.91Å; Y757-V779 HydrophobicContact CE2-CG1 3.99Å; E758-V779 HydrophobicContact CG-CG1 4.39Å; E758-V779 HydrophobicContact CG-CG2 4.38Å; A761-V779 HydrophobicContact CB-CG2 3.53Å; R775-V779 HydrophobicContact CG-CG2 4.47Å; R775-V779 WeakPolarHBondContact O-CB 3.47Å; R775-V779 WeakPolarHBondContact O-CG2 3.48Å; R775-V779 PolarHBondContact O-N 3.3Å; N777-V779 VanDerWaalsContact C-N 3.28Å; N777-V779 PolarHBondContact O-N 2.85Å; V779-A783 WeakPolarHBondContact O-CB 3.41Å; V779-A783 PolarHBondContact O-N 3.13Å; V779-A783 VanDerWaalsContact O-N 3.1Å
780	R	82.5	Confident	78.9	Confident	124 Å²	124	45.3 Å²	45.3	47%	0.468	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-42.9	177.7	-64.1	164.9	175.4	148.2	-6.4	111.6	S776 N777 L778 A783 L784	S776-R780 WeakPolarHBondContact O-CD 2.93Å; S776-R780 WeakPolarHBondContact O-CG 3.26Å; N777-R780 WeakPolarHBondContact O-CB 3.41Å; N777-R780 PolarHBondContact O-N 2.98Å; N777-R780 PolarHBondContact OD1-NH1 2.82Å; L778-R780 VanDerWaalsContact C-N 3.3Å; L778-R780 PolarHBondContact O-N 2.94Å; R780-A783 PolarHBondContact O-N 3.16Å; R780-L784 WeakPolarHBondContact O-CD1 3.45Å; R780-L784 WeakPolarHBondContact O-CG 3.48Å; R780-L784 PolarHBondContact O-N 3.4Å; R780-L784 VanDerWaalsContact O-N 3.09Å
781	L	84.5	Confident	77.6	Confident	27 Å²	27	45.7 Å²	45.7	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-71.6	-35.9	-177.9	-57	176.1	0	0	0	112	F715 N777 L778 L784 A785 L791	F715-L781 HydrophobicContact CB-CD1 3.35Å; F715-L781 HydrophobicContact CD1-CD1 4.1Å; F715-L781 HydrophobicContact CD2-CD1 3.47Å; F715-L781 VanDerWaalsContact CD2-CD1 3.47Å; F715-L781 HydrophobicContact CE2-CD1 4.25Å; F715-L781 HydrophobicContact CG-CD1 3.37Å; N777-L781 WeakPolarHBondContact O-CG 3.27Å; N777-L781 PolarHBondContact O-N 3.31Å; L778-L781 PolarHBondContact O-N 2.98Å; L781-L784 PolarHBondContact O-N 3.35Å; L781-A785 VanDerWaalsContact O-CB 3.29Å; L781-A785 WeakPolarHBondContact O-CB 3.33Å; L781-A785 PolarHBondContact O-N 3.07Å; L781-L791 HydrophobicContact CB-CD1 4.13Å; L781-L791 HydrophobicContact CD2-CD1 3.68Å; L781-L791 HydrophobicContact CD2-CD2 3.73Å; L781-L791 HydrophobicContact CD2-CG 4.36Å; L781-L791 HydrophobicContact CG-CD1 4.37Å
782	L	86.7	Confident	76.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-43.6	171.2	-73	170.3	0	0	0	111.5	Y720 V730 V732 Y757 V760 A761 L778 L784 A785 R786	Y720-L782 HydrophobicContact CE2-CB 4.39Å; Y720-L782 HydrophobicContact CE2-CD2 3.83Å; Y720-L782 WeakPolarHBondContact CE2-O 3.33Å; V730-L782 HydrophobicContact CG1-CD2 3.45Å; V730-L782 VanDerWaalsContact CG1-CD2 3.45Å; V732-L782 HydrophobicContact CG2-CD2 4.47Å; Y757-L782 WeakPolarHBondContact O-CD1 3.43Å; V760-L782 HydrophobicContact CB-CD1 4.06Å; V760-L782 HydrophobicContact CG1-CD1 3.66Å; V760-L782 HydrophobicContact CG1-CD2 3.9Å; V760-L782 HydrophobicContact CG1-CG 4.45Å; A761-L782 HydrophobicContact CB-CD1 4.07Å; L778-L782 HydrophobicContact CD1-CD1 4.02Å; L778-L782 HydrophobicContact CD1-CD2 4.34Å; L778-L782 HydrophobicContact CD1-CG 3.81Å; L778-L782 HydrophobicContact CD2-CD1 4.41Å; L778-L782 HydrophobicContact CG-CD1 3.76Å; L778-L782 HydrophobicContact CG-CG 4.08Å; L778-L782 WeakPolarHBondContact O-CB 3.42Å; L778-L782 VanDerWaalsContact O-CG 3.28Å; L778-L782 WeakPolarHBondContact O-CG 3.48Å; L778-L782 PolarHBondContact O-N 2.73Å; L782-L784 VanDerWaalsContact C-N 3.29Å; L782-L784 PolarHBondContact O-N 3.16Å; L782-A785 PolarHBondContact O-N 3.39Å; L782-R786 VanDerWaalsContact O-CB 3.24Å; L782-R786 WeakPolarHBondContact O-CB 3.42Å; L782-R786 PolarHBondContact O-N 3.26Å
783	A	81.2	Confident	74.8	Confident	28 Å²	28	50.6 Å²	50.6	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-38.6	175	0	0	0	0	0	112.1	Y757 V779 R780 H787	Y757-A783 HydrophobicContact CD1-CB 4.11Å; Y757-A783 HydrophobicContact CE1-CB 4.16Å; Y757-A783 HydrophobicContact CG-CB 4.3Å; V779-A783 WeakPolarHBondContact O-CB 3.41Å; V779-A783 PolarHBondContact O-N 3.13Å; V779-A783 VanDerWaalsContact O-N 3.1Å; R780-A783 PolarHBondContact O-N 3.16Å; A783-H787 PolarHBondContact O-CD2 2.7Å; A783-H787 VanDerWaalsContact O-CD2 3.22Å
784	L	72.4	Confident	73.1	Confident	26 Å²	26	47.5 Å²	47.5	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-70.4	-48.2	175.6	-71.4	160.9	0	0	0	112.3	R780 L781 L782 R786 H787 C789 L796 L818	R780-L784 WeakPolarHBondContact O-CD1 3.45Å; R780-L784 WeakPolarHBondContact O-CG 3.48Å; R780-L784 PolarHBondContact O-N 3.4Å; R780-L784 VanDerWaalsContact O-N 3.09Å; L781-L784 PolarHBondContact O-N 3.35Å; L782-L784 VanDerWaalsContact C-N 3.29Å; L782-L784 PolarHBondContact O-N 3.16Å; L784-R786 VanDerWaalsContact C-N 3.25Å; L784-R786 PolarHBondContact O-N 2.82Å; L784-H787 CarbonylContact O-C 3.55Å; L784-H787 WeakPolarHBondContact O-CA 3.27Å; L784-H787 PolarHBondContact O-N 2.83Å; L784-C789 CarbonylContact C-O 3.58Å; L784-C789 HydrophobicContact CB-CB 4.4Å; L784-C789 WeakPolarHBondContact O-CB 3.22Å; L784-C789 PolarHBondContact O-N 3.2Å; L784-L796 HydrophobicContact CB-CD2 4.12Å; L784-L796 HydrophobicContact CD1-CD1 4.01Å; L784-L796 HydrophobicContact CD1-CD2 3.92Å; L784-L796 HydrophobicContact CD2-CD2 4.48Å; L784-L796 HydrophobicContact CG-CD2 4.4Å; L784-L818 HydrophobicContact CD2-CD1 3.87Å
785	A	77.4	Confident	71.1	Confident	7 Å²	7	54.9 Å²	54.9	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-32.5	177.5	0	0	0	0	0	112.6	C718 Y720 L781 L782 H787 N788	C718-A785 HydrophobicContact CB-CB 4.19Å; C718-A785 WeakPolarHBondContact O-CB 3.4Å; Y720-A785 HydrophobicContact CD2-CB 4.17Å; Y720-A785 HydrophobicContact CE2-CB 4.4Å; L781-A785 VanDerWaalsContact O-CB 3.29Å; L781-A785 WeakPolarHBondContact O-CB 3.33Å; L781-A785 PolarHBondContact O-N 3.07Å; L782-A785 PolarHBondContact O-N 3.39Å; A785-H787 PolarHBondContact O-N 2.89Å; A785-N788 PolarHBondContact O-N 3.06Å
786	R	72.3	Confident	69	Low	65 Å²	65	55.2 Å²	55.2	25%	0.245	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-31	172.7	-171.5	-172.8	160.2	-164	-19.2	112.4	Y720 W754 H755 L782 L784 N788	Y720-R786 HydrophobicContact CD2-CB 4.45Å; Y720-R786 HydrophobicContact CE2-CB 4.09Å; W754-R786 HydrophobicContact CE3-CG 3.92Å; W754-R786 HydrophobicContact CZ3-CG 3.58Å; H755-R786 PolarHBondContact CD2-NH2 3.13Å; H755-R786 VanDerWaalsContact CD2-NH2 3.29Å; H755-R786 PolarHBondContact O-NH1 2.72Å; L782-R786 VanDerWaalsContact O-CB 3.24Å; L782-R786 WeakPolarHBondContact O-CB 3.42Å; L782-R786 PolarHBondContact O-N 3.26Å; L784-R786 VanDerWaalsContact C-N 3.25Å; L784-R786 PolarHBondContact O-N 2.82Å; R786-N788 VanDerWaalsContact C-N 3.27Å; R786-N788 PolarHBondContact O-N 2.91Å
787	H	65.9	Low	67.3	Low	122 Å²	122	56.6 Å²	56.6	57%	0.565	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	18.8	174.2	-71.1	-66	0	0	0	113.3	A783 L784 A785 C789	A783-H787 PolarHBondContact O-CD2 2.7Å; A783-H787 VanDerWaalsContact O-CD2 3.22Å; L784-H787 CarbonylContact O-C 3.55Å; L784-H787 WeakPolarHBondContact O-CA 3.27Å; L784-H787 PolarHBondContact O-N 2.83Å; A785-H787 PolarHBondContact O-N 2.89Å; H787-C789 PolarHBondContact O-N 3.1Å; H787-C789 VanDerWaalsContact O-N 3.14Å
788	N	60.1	Low	65.3	Low	105 Å²	105	57.6 Å²	57.6	56%	0.561	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	15.1	-177.1	-162.6	72.3	0	0	0	114.1	A785 R786 A790	A785-N788 PolarHBondContact O-N 3.06Å; R786-N788 VanDerWaalsContact C-N 3.27Å; R786-N788 PolarHBondContact O-N 2.91Å; N788-A790 VanDerWaalsContact C-N 3.29Å; N788-A790 PolarHBondContact O-N 2.92Å; N788-A790 VanDerWaalsContact O-N 3.14Å
789	C	57.6	Low	62.8	Low	17 Å²	17	62 Å²	62	12%	0.115	32%	0.323	C	S	.	.			trans	-83.4	76.7	165.5	-62.5	0	0	0	0	108.6	L784 H787 L796 Q797	L784-C789 CarbonylContact C-O 3.58Å; L784-C789 HydrophobicContact CB-CB 4.4Å; L784-C789 WeakPolarHBondContact O-CB 3.22Å; L784-C789 PolarHBondContact O-N 3.2Å; H787-C789 PolarHBondContact O-N 3.1Å; H787-C789 VanDerWaalsContact O-N 3.14Å; C789-L796 HydrophobicContact CB-CD2 4.39Å; C789-Q797 WeakPolarHBondContact CA-O 3.22Å
790	A	54.5	Low	60.7	Low	23 Å²	23	63.5 Å²	63.5	19%	0.19	34%	0.343	C	S	.	.			trans	-64.3	146.5	176.8	0	0	0	0	0	110.8	N788 Q797	N788-A790 VanDerWaalsContact C-N 3.29Å; N788-A790 PolarHBondContact O-N 2.92Å; N788-A790 VanDerWaalsContact O-N 3.14Å; A790-Q797 PolarHBondContact O-N 2.75Å
791	L	57	Low	58.6	Low	10 Å²	10	62.9 Å²	62.9	5%	0.052	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.2	159.5	-68.2	94.4	0	0	0	108.7	H717 C718 L781 E795 L796	H717-L791 WeakPolarHBondContact CA-O 3.44Å; H717-L791 PolarHBondContact ND1-O 3.36Å; C718-L791 HydrophobicContact CB-CD1 4.32Å; L781-L791 HydrophobicContact CB-CD1 4.13Å; L781-L791 HydrophobicContact CD2-CD1 3.68Å; L781-L791 HydrophobicContact CD2-CD2 3.73Å; L781-L791 HydrophobicContact CD2-CG 4.36Å; L781-L791 HydrophobicContact CG-CD1 4.37Å; L791-E795 VanDerWaalsContact CA-O 3.26Å; L791-E795 WeakPolarHBondContact CA-O 3.48Å; L791-L796 HydrophobicContact CD1-CD2 3.84Å; L791-L796 HydrophobicContact CD2-CD2 4.49Å; L791-L796 HydrophobicContact CD2-CG 4.3Å; L791-L796 HydrophobicContact CG-CD2 3.83Å; L791-L796 HydrophobicContact CG-CG 4.07Å
792	I	55.6	Low	56.4	Low	65 Å²	65	68.6 Å²	68.6	33%	0.333	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.2	170.8	-58.3	-172	0	0	0	106.8	T716 G794 E795	T716-I792 CarbonylContact O-C 3.49Å; I792-G794 PolarHBondContact O-N 3.24Å; I792-E795 PolarHBondContact N-O 3.38Å; I792-E795 PolarHBondContact O-N 3.41Å
793	D	54	Low	54.2	Low	140 Å²	140	72.7 Å²	72.7	75%	0.749	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	25	-173.2	-62.6	-48.1	0	0	0	115.1	T716	T716-D793 PolarHBondContact O-N 3.34Å
794	G	48.7	Very low	52.3	Low	33 Å²	33	76 Å²	76	34%	0.34	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-6.4	-179.1	0	0	0	0	0	115.5	T716 I792	T716-G794 PolarHBondContact O-N 3.24Å; I792-G794 PolarHBondContact O-N 3.24Å
795	E	44.7	Very low	50.6	Low	156 Å²	156	82 Å²	82	73%	0.729	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	143	173.5	-66.6	-160.7	156.1	0	0	112.3	L791 I792 Q797	L791-E795 VanDerWaalsContact CA-O 3.26Å; L791-E795 WeakPolarHBondContact CA-O 3.48Å; I792-E795 PolarHBondContact N-O 3.38Å; I792-E795 PolarHBondContact O-N 3.41Å; E795-Q797 PolarHBondContact O-N 3.13Å
796	L	47.7	Very low	48.7	Very low	63 Å²	63	89.4 Å²	89.4	33%	0.33	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	111.2	177.6	-85.2	161.8	0	0	0	111.2	L784 C789 L791 F798	L784-L796 HydrophobicContact CB-CD2 4.12Å; L784-L796 HydrophobicContact CD1-CD1 4.01Å; L784-L796 HydrophobicContact CD1-CD2 3.92Å; L784-L796 HydrophobicContact CD2-CD2 4.48Å; L784-L796 HydrophobicContact CG-CD2 4.4Å; C789-L796 HydrophobicContact CB-CD2 4.39Å; L791-L796 HydrophobicContact CD1-CD2 3.84Å; L791-L796 HydrophobicContact CD2-CD2 4.49Å; L791-L796 HydrophobicContact CD2-CG 4.3Å; L791-L796 HydrophobicContact CG-CD2 3.83Å; L791-L796 HydrophobicContact CG-CG 4.07Å; L796-F798 HydrophobicContact CB-CE2 4.21Å; L796-F798 PolarHBondContact O-N 3.24Å
797	Q	48.1	Very low	46.7	Very low	92 Å²	92	91 Å²	91	43%	0.43	52%	0.515	S	S	.	.			trans	-81.4	118.4	170.4	-65.1	-158	4.3	0	0	110.7	C789 A790 E795	C789-Q797 WeakPolarHBondContact CA-O 3.22Å; A790-Q797 PolarHBondContact O-N 2.75Å; E795-Q797 PolarHBondContact O-N 3.13Å
798	F	42.5	Very low	45.3	Very low	83 Å²	83	92.8 Å²	92.8	36%	0.364	53%	0.529	S	S	.	.			trans	-90.8	132.2	171.8	-67.9	-86.4	0	0	0	110.5	L796 G800 L814	L796-F798 HydrophobicContact CB-CE2 4.21Å; L796-F798 PolarHBondContact O-N 3.24Å; F798-G800 PolarHBondContact O-N 3.19Å; F798-L814 HydrophobicContact CE1-CD2 3.78Å; F798-L814 HydrophobicContact CZ-CD2 3.58Å
799	P	37.5	Very low	44.5	Very low	92 Å²	92	93 Å²	93	60%	0.597	53%	0.525	S	S	*	.	S	Bend	trans	-67.4	114.3	169.2	-18.6	31.9	0	0	0	111.1
800	G	43.1	Very low	44.1	Very low	55 Å²	55	96.1 Å²	96.1	57%	0.567	54%	0.541	S	S	*	.	S	Bend	trans	168.3	158.8	171.8	0	0	0	0	0	114.6	F798 I802	F798-G800 PolarHBondContact O-N 3.19Å; G800-I802 PolarHBondContact O-N 3.44Å
801	P	39	Very low	43.7	Very low	111 Å²	111	98.7 Å²	98.7	72%	0.721	56%	0.562	S	S	*	*			trans	-67.2	129.7	177.3	-19.7	33.1	0	0	0	112.3	A803	P801-A803 PolarHBondContact O-N 2.89Å; P801-A803 VanDerWaalsContact O-N 3.08Å
802	I	39.2	Very low	43.4	Very low	147 Å²	147	103.5 Å²	103.5	75%	0.754	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-62.5	-19.2	-174.7	-64.2	167.4	0	0	0	113.3	G800 S804	G800-I802 PolarHBondContact O-N 3.44Å; I802-S804 PolarHBondContact O-N 2.7Å
803	A	39.8	Very low	43.6	Very low	86 Å²	86	103.8 Å²	103.8	71%	0.711	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-84.6	2.6	-167.1	0	0	0	0	0	116.7	P801	P801-A803 PolarHBondContact O-N 2.89Å; P801-A803 VanDerWaalsContact O-N 3.08Å
804	S	41.3	Very low	43.6	Very low	99 Å²	99	99.1 Å²	99.1	69%	0.692	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-117.3	10.8	-170.3	65.4	0	0	0	0	116.1	I802	I802-S804 PolarHBondContact O-N 2.7Å
805	R	36.1	Very low	43.9	Very low	150 Å²	150	101.7 Å²	101.7	57%	0.566	57%	0.565	S	S	*	*			trans	-107.7	107.6	179.3	-70.7	-168.1	178.1	-160.9	0.2	112.6
806	Q	37.6	Very low	44.6	Very low	164 Å²	164	100.1 Å²	100.1	77%	0.766	56%	0.557	S	S	*	*			trans	-64.6	165	156.5	-70.4	167.2	-37.6	0	0	110.8
807	S	31.2	Very low	45.1	Very low	98 Å²	98	102.9 Å²	102.9	69%	0.685	57%	0.567	S	S	*	*	S	Bend	trans	-26.4	145.8	174.8	53.4	0	0	0	0	118.7
808	N	36.8	Very low	45.6	Very low	160 Å²	160	101.8 Å²	101.8	86%	0.856	56%	0.564	S	S	*	*			trans	62.4	72.6	157.3	-56.4	-15.5	0	0	0	116.1
809	F	42.6	Very low	46.6	Very low	109 Å²	109	100.7 Å²	100.7	48%	0.478	56%	0.564	S	S	.	*			trans	-82.7	113.7	165.1	-169.2	-91.9	0	0	0	110.3	L814	F809-L814 HydrophobicContact CE1-CB 4.07Å; F809-L814 HydrophobicContact CE1-CD2 3.98Å; F809-L814 HydrophobicContact CZ-CB 4.27Å; F809-L814 HydrophobicContact CZ-CD2 4.24Å
810	D	49.1	Very low	47.7	Very low	83 Å²	83	99 Å²	99	44%	0.444	56%	0.557	S	S	.	*			trans	-82.6	122	-178.7	-173.7	10.8	0	0	0	112.2	L812 E813 L814	D810-L812 PolarHBondContact O-N 3.37Å; D810-L812 WeakPolarHBondContact OD1-CB 3.48Å; D810-L812 PolarHBondContact OD1-N 2.85Å; D810-L812 WeakPolarHBondContact OD2-CB 3.19Å; D810-E813 HydrophobicContact CB-CB 4.01Å; D810-E813 PolarHBondContact O-N 2.88Å; D810-L814 PolarHBondContact O-N 3.16Å
811	A	45.7	Very low	48.5	Very low	77 Å²	77	101.3 Å²	101.3	64%	0.636	56%	0.556	S	S	*	*	H	α-helix	trans	-67.1	-26.4	173.7	0	0	0	0	0	112.4	H815	A811-H815 WeakPolarHBondContact O-CB 3.41Å; A811-H815 PolarHBondContact O-N 2.92Å
812	L	51.5	Low	49.6	Very low	110 Å²	110	98.8 Å²	98.8	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-67.9	-46.5	174	-143.3	85.4	0	0	0	110.7	D810 L814 H815 E816	D810-L812 PolarHBondContact O-N 3.37Å; D810-L812 WeakPolarHBondContact OD1-CB 3.48Å; D810-L812 PolarHBondContact OD1-N 2.85Å; D810-L812 WeakPolarHBondContact OD2-CB 3.19Å; L812-L814 VanDerWaalsContact C-N 3.34Å; L812-L814 PolarHBondContact O-N 3.28Å; L812-H815 CarbonylContact O-C 3.31Å; L812-H815 WeakPolarHBondContact O-CA 3.29Å; L812-H815 WeakPolarHBondContact O-CB 3.23Å; L812-H815 PolarHBondContact O-N 2.89Å; L812-H815 VanDerWaalsContact O-N 3.07Å; L812-E816 WeakPolarHBondContact O-CG 3.44Å; L812-E816 PolarHBondContact O-N 3.26Å
813	E	60	Low	50.8	Low	71 Å²	71	96.7 Å²	96.7	33%	0.332	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-40.9	177.8	-164.8	-162.8	170	0	0	112.2	D810 E816 K817	D810-E813 HydrophobicContact CB-CB 4.01Å; D810-E813 PolarHBondContact O-N 2.88Å; E813-E816 PolarHBondContact O-N 2.96Å; E813-K817 HydrophobicContact CG-CD 4.29Å; E813-K817 WeakPolarHBondContact O-CB 3.26Å; E813-K817 VanDerWaalsContact O-CG 3.32Å; E813-K817 WeakPolarHBondContact O-CG 3.27Å; E813-K817 PolarHBondContact O-N 3.46Å; E813-K817 VanDerWaalsContact OE1-CE 3.27Å; E813-K817 WeakPolarHBondContact OE1-CE 3.09Å; E813-K817 IonicContact OE1-NZ 2.58Å; E813-K817 PolarHBondContact OE1-NZ 3.19Å
814	L	53.4	Low	51.8	Low	43 Å²	43	99.1 Å²	99.1	23%	0.225	52%	0.52	C	S	.	.	H	α-helix	trans	-66.9	-38.3	173.6	-178.7	61.2	0	0	0	111.8	F798 F809 D810 L812 K817 L818	F798-L814 HydrophobicContact CE1-CD2 3.78Å; F798-L814 HydrophobicContact CZ-CD2 3.58Å; F809-L814 HydrophobicContact CE1-CB 4.07Å; F809-L814 HydrophobicContact CE1-CD2 3.98Å; F809-L814 HydrophobicContact CZ-CB 4.27Å; F809-L814 HydrophobicContact CZ-CD2 4.24Å; D810-L814 PolarHBondContact O-N 3.16Å; L812-L814 VanDerWaalsContact C-N 3.34Å; L812-L814 PolarHBondContact O-N 3.28Å; L814-K817 PolarHBondContact O-N 3.25Å; L814-L818 HydrophobicContact CD1-CD1 4.12Å; L814-L818 HydrophobicContact CD1-CG 4.19Å; L814-L818 HydrophobicContact CG-CD1 4.01Å; L814-L818 WeakPolarHBondContact O-CB 3.36Å; L814-L818 WeakPolarHBondContact O-CG 3.48Å; L814-L818 PolarHBondContact O-N 2.87Å
815	H	55.4	Low	53.2	Low	87 Å²	87	98.4 Å²	98.4	40%	0.403	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-47.4	174.4	-178.2	57.6	0	0	0	111.5	A811 L812 K817 L818 V819	A811-H815 WeakPolarHBondContact O-CB 3.41Å; A811-H815 PolarHBondContact O-N 2.92Å; L812-H815 CarbonylContact O-C 3.31Å; L812-H815 WeakPolarHBondContact O-CA 3.29Å; L812-H815 WeakPolarHBondContact O-CB 3.23Å; L812-H815 PolarHBondContact O-N 2.89Å; L812-H815 VanDerWaalsContact O-N 3.07Å; H815-K817 PolarHBondContact O-N 3.44Å; H815-L818 PolarHBondContact O-N 2.8Å; H815-V819 WeakPolarHBondContact O-CB 3.4Å; H815-V819 VanDerWaalsContact O-CG2 3.29Å; H815-V819 WeakPolarHBondContact O-CG2 3.28Å; H815-V819 PolarHBondContact O-N 3.03Å
816	E	59.6	Low	54.9	Low	122 Å²	122	93.9 Å²	93.9	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-60.2	-43.7	175.8	-72.3	-170.9	160.7	0	0	111.7	L812 E813 L818 V819 A820	L812-E816 WeakPolarHBondContact O-CG 3.44Å; L812-E816 PolarHBondContact O-N 3.26Å; E813-E816 PolarHBondContact O-N 2.96Å; E816-L818 PolarHBondContact O-N 2.95Å; E816-V819 PolarHBondContact O-N 2.83Å; E816-A820 WeakPolarHBondContact O-CB 3.4Å; E816-A820 PolarHBondContact O-N 2.87Å
817	K	56.8	Low	56.1	Low	121 Å²	121	88.3 Å²	88.3	53%	0.526	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-41	176.5	-78.2	170.1	170.6	172.6	0	112.7	E813 L814 H815 L821	E813-K817 HydrophobicContact CG-CD 4.29Å; E813-K817 WeakPolarHBondContact O-CB 3.26Å; E813-K817 VanDerWaalsContact O-CG 3.32Å; E813-K817 WeakPolarHBondContact O-CG 3.27Å; E813-K817 PolarHBondContact O-N 3.46Å; E813-K817 VanDerWaalsContact OE1-CE 3.27Å; E813-K817 WeakPolarHBondContact OE1-CE 3.09Å; E813-K817 IonicContact OE1-NZ 2.58Å; E813-K817 PolarHBondContact OE1-NZ 3.19Å; L814-K817 PolarHBondContact O-N 3.25Å; H815-K817 PolarHBondContact O-N 3.44Å; K817-L821 WeakPolarHBondContact O-CB 3.34Å; K817-L821 PolarHBondContact O-N 2.92Å
818	L	58.8	Low	58	Low	70 Å²	70	90.3 Å²	90.3	37%	0.366	47%	0.47	S	S	.	.	H	α-helix	trans	-71.2	-38.9	176.4	-71.5	169.8	0	0	0	112.4	L784 L814 H815 E816 L821 H822	L784-L818 HydrophobicContact CD2-CD1 3.87Å; L814-L818 HydrophobicContact CD1-CD1 4.12Å; L814-L818 HydrophobicContact CD1-CG 4.19Å; L814-L818 HydrophobicContact CG-CD1 4.01Å; L814-L818 WeakPolarHBondContact O-CB 3.36Å; L814-L818 WeakPolarHBondContact O-CG 3.48Å; L814-L818 PolarHBondContact O-N 2.87Å; H815-L818 PolarHBondContact O-N 2.8Å; E816-L818 PolarHBondContact O-N 2.95Å; L818-L821 PolarHBondContact O-N 2.85Å; L818-H822 WeakPolarHBondContact O-CB 3.5Å; L818-H822 PolarHBondContact O-N 3.12Å
819	V	63.6	Low	59.6	Low	60 Å²	60	87 Å²	87	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-42.4	173.3	168.4	0	0	0	0	110.8	H815 E816 H822 L823	H815-V819 WeakPolarHBondContact O-CB 3.4Å; H815-V819 VanDerWaalsContact O-CG2 3.29Å; H815-V819 WeakPolarHBondContact O-CG2 3.28Å; H815-V819 PolarHBondContact O-N 3.03Å; E816-V819 PolarHBondContact O-N 2.83Å; V819-H822 PolarHBondContact O-N 2.71Å; V819-L823 HydrophobicContact CG1-CD1 3.83Å; V819-L823 HydrophobicContact CG1-CG 4.35Å; V819-L823 WeakPolarHBondContact O-CB 3.47Å; V819-L823 VanDerWaalsContact O-CG 3.27Å; V819-L823 WeakPolarHBondContact O-CG 3.29Å; V819-L823 PolarHBondContact O-N 3.27Å
820	A	61	Low	60.9	Low	56 Å²	56	89.4 Å²	89.4	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-42.4	174.7	0	0	0	0	0	111.8	E816 L823 H824	E816-A820 WeakPolarHBondContact O-CB 3.4Å; E816-A820 PolarHBondContact O-N 2.87Å; A820-L823 PolarHBondContact O-N 2.98Å; A820-H824 VanDerWaalsContact O-CB 3.26Å; A820-H824 WeakPolarHBondContact O-CB 3.14Å; A820-H824 PolarHBondContact O-N 3.46Å
821	L	59.4	Low	61.7	Low	104 Å²	104	90.5 Å²	90.5	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-44.9	175.9	-168.3	72.4	0	0	0	111.6	K817 L818 H824 Q825	K817-L821 WeakPolarHBondContact O-CB 3.34Å; K817-L821 PolarHBondContact O-N 2.92Å; L818-L821 PolarHBondContact O-N 2.85Å; L821-H824 PolarHBondContact O-N 3.05Å; L821-Q825 WeakPolarHBondContact O-CB 3.38Å; L821-Q825 PolarHBondContact O-N 3.36Å
822	H	62.1	Low	62.4	Low	58 Å²	58	90.1 Å²	90.1	27%	0.269	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-41.8	176.4	178.1	68.1	0	0	0	112.3	Y757 L818 V819 H824 Q825 Q826	Y757-H822 PolarHBondContact OH-CE1 3.06Å; Y757-H822 PolarHBondContact OH-ND1 2.8Å; L818-H822 WeakPolarHBondContact O-CB 3.5Å; L818-H822 PolarHBondContact O-N 3.12Å; V819-H822 PolarHBondContact O-N 2.71Å; H822-H824 VanDerWaalsContact C-N 3.34Å; H822-Q825 PolarHBondContact O-N 3.37Å; H822-Q826 PolarHBondContact NE2-NE2 3.48Å; H822-Q826 PolarHBondContact O-N 2.96Å
823	L	64.3	Low	62.6	Low	102 Å²	102	88.6 Å²	88.6	53%	0.534	45%	0.449	S	S	.	.	H	α-helix	trans	-64.6	-37.7	173.6	-74.4	171.4	0	0	0	111.9	V819 A820 A827	V819-L823 HydrophobicContact CG1-CD1 3.83Å; V819-L823 HydrophobicContact CG1-CG 4.35Å; V819-L823 WeakPolarHBondContact O-CB 3.47Å; V819-L823 VanDerWaalsContact O-CG 3.27Å; V819-L823 WeakPolarHBondContact O-CG 3.29Å; V819-L823 PolarHBondContact O-N 3.27Å; A820-L823 PolarHBondContact O-N 2.98Å; L823-A827 VanDerWaalsContact O-CB 3.23Å; L823-A827 WeakPolarHBondContact O-CB 3.46Å; L823-A827 PolarHBondContact O-N 2.97Å
824	H	62.4	Low	62.2	Low	137 Å²	137	93.2 Å²	93.2	63%	0.634	46%	0.463	S	S	*	.	H	α-helix	trans	-68.5	-36.5	175.1	-162.7	102.1	0	0	0	111.5	A820 L821 H822 A827 K828	A820-H824 VanDerWaalsContact O-CB 3.26Å; A820-H824 WeakPolarHBondContact O-CB 3.14Å; A820-H824 PolarHBondContact O-N 3.46Å; L821-H824 PolarHBondContact O-N 3.05Å; H822-H824 VanDerWaalsContact C-N 3.34Å; H824-A827 PolarHBondContact O-N 2.94Å; H824-K828 WeakPolarHBondContact O-CB 3.47Å; H824-K828 PolarHBondContact O-N 2.84Å
825	Q	70.7	Confident	62	Low	85 Å²	85	96.7 Å²	96.7	40%	0.397	48%	0.482	S	S	.	.	H	α-helix	trans	-68.8	-47.2	173.3	-178.9	163	-16	0	0	111.6	L821 H822 A827 K828 E829	L821-Q825 WeakPolarHBondContact O-CB 3.38Å; L821-Q825 PolarHBondContact O-N 3.36Å; H822-Q825 PolarHBondContact O-N 3.37Å; Q825-A827 PolarHBondContact O-N 3.09Å; Q825-K828 WeakPolarHBondContact O-CB 3.26Å; Q825-K828 PolarHBondContact O-N 2.87Å; Q825-K828 VanDerWaalsContact O-N 3.13Å; Q825-E829 HydrophobicContact CG-CG 4.34Å; Q825-E829 WeakPolarHBondContact CG-OE1 3.32Å; Q825-E829 PolarHBondContact NE2-OE1 3.18Å; Q825-E829 WeakPolarHBondContact O-CB 3.44Å; Q825-E829 WeakPolarHBondContact O-CG 3.47Å; Q825-E829 PolarHBondContact O-N 3.13Å
826	Q	71.1	Confident	61.5	Low	55 Å²	55	99.6 Å²	99.6	26%	0.257	50%	0.5	S	S	.	.	H	α-helix	trans	-57.5	-37.8	171	-77.8	-154.9	24.2	0	0	112	H822 R830	H822-Q826 PolarHBondContact NE2-NE2 3.48Å; H822-Q826 PolarHBondContact O-N 2.96Å; Q826-R830 VanDerWaalsContact O-CB 3.23Å; Q826-R830 WeakPolarHBondContact O-CB 3.45Å; Q826-R830 WeakPolarHBondContact O-CG 3.35Å; Q826-R830 PolarHBondContact O-N 3.09Å
827	A	63.1	Low	60.7	Low	47 Å²	47	95.9 Å²	95.9	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-45.3	175.8	0	0	0	0	0	111.2	L823 H824 Q825 R830 L831	L823-A827 VanDerWaalsContact O-CB 3.23Å; L823-A827 WeakPolarHBondContact O-CB 3.46Å; L823-A827 PolarHBondContact O-N 2.97Å; H824-A827 PolarHBondContact O-N 2.94Å; Q825-A827 PolarHBondContact O-N 3.09Å; A827-R830 PolarHBondContact O-N 3.33Å; A827-L831 WeakPolarHBondContact O-CB 3.45Å; A827-L831 VanDerWaalsContact O-CG 3.23Å; A827-L831 WeakPolarHBondContact O-CG 3.49Å; A827-L831 PolarHBondContact O-N 3.38Å
828	K	70	Confident	59.6	Low	139 Å²	139	96.1 Å²	96.1	60%	0.604	50%	0.501	S	S	*	.	H	α-helix	trans	-60.9	-43.7	175.5	-173.6	179.6	179.1	-176.1	0	111.8	H824 Q825 L831 T832	H824-K828 WeakPolarHBondContact O-CB 3.47Å; H824-K828 PolarHBondContact O-N 2.84Å; Q825-K828 WeakPolarHBondContact O-CB 3.26Å; Q825-K828 PolarHBondContact O-N 2.87Å; Q825-K828 VanDerWaalsContact O-N 3.13Å; K828-L831 PolarHBondContact O-N 3.28Å; K828-T832 WeakPolarHBondContact O-CG2 3.43Å; K828-T832 PolarHBondContact O-N 3.45Å; K828-T832 PolarHBondContact O-OG1 2.8Å
829	E	70.9	Confident	58.3	Low	90 Å²	90	96.9 Å²	96.9	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-69	-36.3	177.1	-72.5	166.1	-177.2	0	0	112.3	Q825 T832 S833	Q825-E829 HydrophobicContact CG-CG 4.34Å; Q825-E829 WeakPolarHBondContact CG-OE1 3.32Å; Q825-E829 PolarHBondContact NE2-OE1 3.18Å; Q825-E829 WeakPolarHBondContact O-CB 3.44Å; Q825-E829 WeakPolarHBondContact O-CG 3.47Å; Q825-E829 PolarHBondContact O-N 3.13Å; E829-T832 WeakPolarHBondContact CA-OG1 3.48Å; E829-T832 PolarHBondContact O-OG1 2.94Å; E829-S833 WeakPolarHBondContact O-CB 3.09Å; E829-S833 PolarHBondContact O-N 3.18Å; E829-S833 PolarHBondContact O-OG 3.46Å
830	R	69.9	Low	56.8	Low	161 Å²	161	103.5 Å²	103.5	61%	0.608	54%	0.541	S	S	*	.	H	α-helix	trans	-73.3	-26.4	172.1	-72.9	176.1	-169.8	-158.8	8.2	112.9	Q826 A827 R834	Q826-R830 VanDerWaalsContact O-CB 3.23Å; Q826-R830 WeakPolarHBondContact O-CB 3.45Å; Q826-R830 WeakPolarHBondContact O-CG 3.35Å; Q826-R830 PolarHBondContact O-N 3.09Å; A827-R830 PolarHBondContact O-N 3.33Å; R830-R834 VanDerWaalsContact O-CB 3.3Å; R830-R834 WeakPolarHBondContact O-CB 3.49Å; R830-R834 WeakPolarHBondContact O-CG 3.48Å; R830-R834 PolarHBondContact O-N 3.18Å
831	L	65.8	Low	55.4	Low	105 Å²	105	106.1 Å²	106.1	55%	0.55	56%	0.556	S	S	.	*	H	α-helix	trans	-72.3	-55.1	171.3	-74.8	165.5	0	0	0	110	A827 K828 S833 R834 D835	A827-L831 WeakPolarHBondContact O-CB 3.45Å; A827-L831 VanDerWaalsContact O-CG 3.23Å; A827-L831 WeakPolarHBondContact O-CG 3.49Å; A827-L831 PolarHBondContact O-N 3.38Å; K828-L831 PolarHBondContact O-N 3.28Å; L831-S833 VanDerWaalsContact C-N 3.26Å; L831-S833 PolarHBondContact O-N 3.33Å; L831-R834 CarbonylContact O-C 3.57Å; L831-R834 WeakPolarHBondContact O-CA 3.45Å; L831-R834 PolarHBondContact O-N 2.99Å; L831-D835 PolarHBondContact O-N 2.71Å
832	T	60.8	Low	54	Low	70 Å²	70	107.1 Å²	107.1	43%	0.429	57%	0.571	S	S	.	*	H	α-helix	trans	-60.1	-35	176.5	56.4	0	0	0	0	112.6	K828 E829 D835 L836	K828-T832 WeakPolarHBondContact O-CG2 3.43Å; K828-T832 PolarHBondContact O-N 3.45Å; K828-T832 PolarHBondContact O-OG1 2.8Å; E829-T832 WeakPolarHBondContact CA-OG1 3.48Å; E829-T832 PolarHBondContact O-OG1 2.94Å; T832-D835 PolarHBondContact O-N 3.4Å; T832-L836 WeakPolarHBondContact O-CB 3.21Å; T832-L836 WeakPolarHBondContact O-CG 3.32Å; T832-L836 PolarHBondContact O-N 2.87Å
833	S	54.4	Low	52.6	Low	78 Å²	78	111.2 Å²	111.2	55%	0.545	59%	0.594	S	S	.	*	H	α-helix	trans	-74.4	-23.4	173.5	-58.3	0	0	0	0	114	E829 L831 G837	E829-S833 WeakPolarHBondContact O-CB 3.09Å; E829-S833 PolarHBondContact O-N 3.18Å; E829-S833 PolarHBondContact O-OG 3.46Å; L831-S833 VanDerWaalsContact C-N 3.26Å; L831-S833 PolarHBondContact O-N 3.33Å; S833-G837 WeakPolarHBondContact O-CA 3.23Å; S833-G837 PolarHBondContact O-N 3.15Å
834	R	51.6	Low	51.3	Low	168 Å²	168	114.4 Å²	114.4	63%	0.634	61%	0.606	S	S	*	*	H	α-helix	trans	-77.2	-39.8	169	-81.3	176.9	81.2	125.3	3	111	R830 L831 L836 G837 L838	R830-R834 VanDerWaalsContact O-CB 3.3Å; R830-R834 WeakPolarHBondContact O-CB 3.49Å; R830-R834 WeakPolarHBondContact O-CG 3.48Å; R830-R834 PolarHBondContact O-N 3.18Å; L831-R834 CarbonylContact O-C 3.57Å; L831-R834 WeakPolarHBondContact O-CA 3.45Å; L831-R834 PolarHBondContact O-N 2.99Å; R834-L836 VanDerWaalsContact C-N 3.32Å; R834-L836 PolarHBondContact O-N 2.95Å; R834-G837 CarbonylContact O-C 3.6Å; R834-G837 PolarHBondContact O-N 3.3Å; R834-G837 VanDerWaalsContact O-N 3.09Å; R834-L838 HydrophobicContact CB-CD1 4.37Å; R834-L838 VanDerWaalsContact O-CB 3.29Å; R834-L838 WeakPolarHBondContact O-CB 3.45Å; R834-L838 VanDerWaalsContact O-CG 3.28Å; R834-L838 WeakPolarHBondContact O-CG 3.46Å; R834-L838 PolarHBondContact O-N 2.94Å
835	D	50.2	Low	50	Low	115 Å²	115	112.9 Å²	112.9	62%	0.615	61%	0.61	S	S	*	*	H	α-helix	trans	-69.8	-31.4	178.8	-61.6	-27.2	0	0	0	111.7	L831 T832	L831-D835 PolarHBondContact O-N 2.71Å; T832-D835 PolarHBondContact O-N 3.4Å
836	L	45.6	Very low	48.4	Very low	149 Å²	149	114 Å²	114	78%	0.78	63%	0.628	S	S	*	*	H	α-helix	trans	-82.7	-18.8	168.3	-68.1	169.3	0	0	0	113.7	T832 R834	T832-L836 WeakPolarHBondContact O-CB 3.21Å; T832-L836 WeakPolarHBondContact O-CG 3.32Å; T832-L836 PolarHBondContact O-N 2.87Å; R834-L836 VanDerWaalsContact C-N 3.32Å; R834-L836 PolarHBondContact O-N 2.95Å
837	G	41.3	Very low	46.7	Very low	44 Å²	44	116.7 Å²	116.7	45%	0.454	65%	0.653	S	S	.	*	H	α-helix	trans	-86.2	-30.8	177.5	0	0	0	0	0	114.3	S833 R834 A839	S833-G837 WeakPolarHBondContact O-CA 3.23Å; S833-G837 PolarHBondContact O-N 3.15Å; R834-G837 CarbonylContact O-C 3.6Å; R834-G837 PolarHBondContact O-N 3.3Å; R834-G837 VanDerWaalsContact O-N 3.09Å; G837-A839 PolarHBondContact O-N 2.86Å
838	L	35	Very low	45.4	Very low	126 Å²	126	118.4 Å²	118.4	66%	0.66	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	18.7	-176.4	-72.1	166	0	0	0	113.9	R834	R834-L838 HydrophobicContact CB-CD1 4.37Å; R834-L838 VanDerWaalsContact O-CB 3.29Å; R834-L838 WeakPolarHBondContact O-CB 3.45Å; R834-L838 VanDerWaalsContact O-CG 3.28Å; R834-L838 WeakPolarHBondContact O-CG 3.46Å; R834-L838 PolarHBondContact O-N 2.94Å
839	A	31.1	Very low	43.6	Very low	86 Å²	86	118.4 Å²	118.4	71%	0.711	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	17.3	169.1	0	0	0	0	0	113.4	G837	G837-A839 PolarHBondContact O-N 2.86Å
840	K	32.1	Very low	41.9	Very low	198 Å²	198	119 Å²	119	86%	0.861	69%	0.691	S	S	*	*	S	Bend	trans	-131.1	36.4	-180	-84.3	-171	177.4	174.7	0	116.1
841	S	31	Very low	40.3	Very low	112 Å²	112	118.1 Å²	118.1	78%	0.783	70%	0.698	S	S	*	*			trans	-171.4	103.2	157.9	39.6	0	0	0	0	114.4
842	S	30.8	Very low	38.8	Very low	124 Å²	124	119.1 Å²	119.1	87%	0.867	70%	0.704	S	S	*	*			trans	-167.9	85.5	152.3	-166.8	0	0	0	0	113.1
843	I	33.5	Very low	37.6	Very low	145 Å²	145	122.6 Å²	122.6	74%	0.744	72%	0.715	S	S	*	*			trans	-144.4	137.2	155.3	-43.8	179	0	0	0	107.6
844	H	36.6	Very low	36.9	Very low	168 Å²	168	125.7 Å²	125.7	78%	0.778	73%	0.726	S	S	*	*			trans	65.8	95	179.5	-54.6	-49.6	0	0	0	114.5
845	S	35.5	Very low	36.1	Very low	105 Å²	105	121.3 Å²	121.3	73%	0.734	73%	0.733	S	S	*	*			cis	83	145	46.9	-49.2	0	0	0	0	115
846	S	36.7	Very low	35.6	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	74%	0.741	S	S	*	*			trans	91.8	94.8	162.9	-47.9	0	0	0	0	119.3
847	S	34.6	Very low	35	Very low	112 Å²	112	120.7 Å²	120.7	78%	0.783	74%	0.741	S	S	*	*				67.6	113.1	124	66.3	0	0	0	0	122.9
848	A	35.2	Very low	34.6	Very low	83 Å²	83	124.8 Å²	124.8	69%	0.686	76%	0.757	S	S	*	*				89.3	104.1	114.5	0	0	0	0	0	122.1
849	T	33.6	Very low	34.4	Very low	139 Å²	139	123.9 Å²	123.9	85%	0.853	76%	0.761	S	S	*	*			trans	77.1	153	134.1	49.3	0	0	0	0	120.7
850	P	35.3	Very low	34.6	Very low	103 Å²	103	125.1 Å²	125.1	67%	0.669	77%	0.765	S	S	*	*			trans	-111.9	166	-161.3	41	-31.6	0	0	0	114.8
851	N	35	Very low	34.8	Very low	142 Å²	142	122.9 Å²	122.9	76%	0.759	76%	0.762	S	S	*	*				172.5	153.6	115.6	-88.6	-24.9	0	0	0	113.7
852	N	34.6	Very low	34.9	Very low	126 Å²	126	125.2 Å²	125.2	67%	0.674	76%	0.76	S	S	*	*			trans	60.9	125.5	147.1	-80.5	28.3	0	0	0	123.1
853	E	36.8	Very low	35.1	Very low	143 Å²	143	124.2 Å²	124.2	67%	0.668	75%	0.745	S	S	*	*				112.1	121.5	116.9	-88.3	177	-111	0	0	121.9
854	N	38.1	Very low	35.3	Very low	143 Å²	143	124.8 Å²	124.8	77%	0.765	75%	0.745	S	S	*	*			trans	71.8	111.2	139.9	-55.2	-26.8	0	0	0	121.4
855	G	35.5	Very low	35	Very low	76 Å²	76	123.1 Å²	123.1	78%	0.784	74%	0.742	S	S	*	*			trans	147.7	114.5	144.7	0	0	0	0	0	115.5
856	P	40.6	Very low	34.7	Very low	122 Å²	122	125.3 Å²	125.3	79%	0.792	75%	0.745	S	S	*	*			trans	-115.5	177.3	-170.4	39.9	-29.7	0	0	0	114.5
857	V	32.8	Very low	34.6	Very low	129 Å²	129	123.9 Å²	123.9	78%	0.782	75%	0.747	S	S	*	*				173.3	129.9	124.2	149.9	0	0	0	0	112.6
858	V	31.8	Very low	34.3	Very low	129 Å²	129	126 Å²	126	78%	0.782	75%	0.749	S	S	*	*			trans	60.2	113.1	163.5	173	0	0	0	0	119.9
859	S	31.2	Very low	34.1	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	76%	0.759	S	S	*	*				-174.8	140.7	120	-77.4	0	0	0	0	112.6
860	S	35	Very low	34	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	76%	0.76	S	S	*	*			trans	51.8	114.6	165	57.8	0	0	0	0	121.2
861	D	35.7	Very low	33.6	Very low	152 Å²	152	135 Å²	135	81%	0.813	77%	0.765	S	S	*	*			trans	-69.1	159.2	160.1	-45.4	-86.4	0	0	0	111.2
862	H	34.4	Very low	33.3	Very low	160 Å²	160	137.3 Å²	137.3	74%	0.741	77%	0.773	S	S	*	*			cis	70	142.9	39.3	-81.6	35.5	0	0	0	113.5
863	D	35.5	Very low	33.1	Very low	103 Å²	103	138 Å²	138	55%	0.551	78%	0.777	S	S	*	*			cis	-159.4	157.7	18	-131.9	-22.5	0	0	0	116.6
864	Q	35.9	Very low	32.9	Very low	157 Å²	157	142.4 Å²	142.4	73%	0.734	79%	0.789	S	S	*	*			trans	40.7	168.8	145.2	-76.6	159.8	57.6	0	0	125.2
865	N	31.6	Very low	32.5	Very low	133 Å²	133	142.8 Å²	142.8	71%	0.711	79%	0.786	S	S	*	*			cis	-178.7	168.8	-42.3	-156.7	-4.8	0	0	0	111.3
866	L	29.5	Very low	32.4	Very low	152 Å²	152	147.2 Å²	147.2	80%	0.796	79%	0.792	S	S	*	*			trans	69.3	140.9	154.3	-114.2	71.7	0	0	0	121.5
867	G	33.4	Very low	32	Very low	79 Å²	79	149 Å²	149	81%	0.814	79%	0.79	S	S	*	*			trans	159.9	65.1	164.3	0	0	0	0	0	119.1
868	D	28.6	Very low	32.1	Very low	155 Å²	155	149.1 Å²	149.1	83%	0.829	79%	0.79	S	S	*	*			trans	-72.1	135.7	175.4	-52.1	-91.6	0	0	0	114.9
869	I	32.1	Very low	32.1	Very low	175 Å²	175	148.2 Å²	148.2	90%	0.897	79%	0.787	S	S	*	*			trans	-141.6	148.3	146.9	-65.6	-167.7	0	0	0	110.6
870	R	30.1	Very low	32	Very low	231 Å²	231	150.7 Å²	150.7	87%	0.872	79%	0.79	S	S	*	*			trans	-91.1	155.8	-163	-58	164.6	174.2	165.6	-5.3	116.2
871	S	26.3	Very low	32.2	Very low	110 Å²	110	151 Å²	151	77%	0.769	79%	0.79	S	S	*	*			trans	25.9	133.9	138.1	-49.5	0	0	0	0	122.2
872	M	30.6	Very low	31.9	Very low	190 Å²	190	151.3 Å²	151.3	94%	0.936	79%	0.791	S	S	*	*				-155	135.8	126	-124.6	175.8	179.7	0	0	112.1
873	D	29.2	Very low	31.8	Very low	139 Å²	139	151.3 Å²	151.3	74%	0.743	79%	0.792	S	S	*	*			trans	-78.3	163.3	178.5	-47.8	-96.6	0	0	0	112.9
874	Y	33	Very low	31.6	Very low	236 Å²	236	152.8 Å²	152.8	93%	0.925	80%	0.804	S	S	*	*				-164.7	144	121.6	-109.1	-71.6	0	0	0	111.7
875	Q	30	Very low	31.4	Very low	152 Å²	152	153.3 Å²	153.3	71%	0.71	81%	0.806	S	S	*	*			trans	-93.9	158.8	-173.2	-58.9	161.7	-70.1	0	0	113
876	N	33.6	Very low	31.4	Very low	168 Å²	168	150.8 Å²	150.8	90%	0.898	80%	0.804	S	S	*	*			trans	-158.7	132	132.2	-94.2	-41.8	0	0	0	110.9
877	H	31.4	Very low	31.4	Very low	161 Å²	161	148.6 Å²	148.6	75%	0.745	80%	0.8	S	S	*	*			trans	-80.9	-174.6	167.8	-79.9	-94.6	0	0	0	109.4
878	V	34.5	Very low	31.5	Very low	130 Å²	130	148.4 Å²	148.4	79%	0.788	79%	0.791	S	S	*	*			cis	-168.9	166.8	37.2	-147.5	0	0	0	0	108.3
879	P	31.7	Very low	31.9	Very low	111 Å²	111	147.4 Å²	147.4	72%	0.721	78%	0.781	S	S	*	*				-118.2	177.7	-65	39	-25.6	0	0	0	113.5
880	I	30.4	Very low	32.2	Very low	158 Å²	158	145.7 Å²	145.7	81%	0.81	77%	0.769	S	S	*	*			trans	-129.4	146.6	155.5	-64.7	-178.7	0	0	0	107.8
881	P	37.9	Very low	32.5	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	76%	0.755	S	S	*	*			trans	-71.5	165.7	-170.5	-20.7	35.2	0	0	0	116.5
882	N	29.8	Very low	33.4	Very low	157 Å²	157	138.8 Å²	138.8	84%	0.84	74%	0.743	S	S	*	*			trans	-93.7	118.6	-178.5	-58.1	-47.9	0	0	0	112.5
883	E	32.6	Very low	33.9	Very low	161 Å²	161	135 Å²	135	75%	0.752	72%	0.723	S	S	*	*			trans	-133.5	-7.6	165.7	-68.8	-168.7	127.8	0	0	114.9	Q885	E883-Q885 VanDerWaalsContact C-N 3.28Å; E883-Q885 PolarHBondContact O-N 3.4Å
884	V	31	Very low	34.4	Very low	134 Å²	134	132 Å²	132	81%	0.812	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	7.4	-171.4	-161.3	0	0	0	0	114
885	Q	32.3	Very low	34.8	Very low	168 Å²	168	126.6 Å²	126.6	79%	0.785	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-14	-172.7	-163	64	35.3	0	0	114.5	E883	E883-Q885 VanDerWaalsContact C-N 3.28Å; E883-Q885 PolarHBondContact O-N 3.4Å
886	A	30.9	Very low	35.6	Very low	79 Å²	79	124.7 Å²	124.7	65%	0.653	69%	0.686	S	S	*	*	S	Bend	trans	-87.3	-28.9	-168.3	0	0	0	0	0	115.7	A888	A886-A888 PolarHBondContact O-N 3.22Å
887	C	30	Very low	36	Very low	107 Å²	107	124.2 Å²	124.2	72%	0.723	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-4.3	-164.8	-63.4	0	0	0	0	115.6
888	A	35.6	Very low	36.3	Very low	74 Å²	74	124.7 Å²	124.7	61%	0.612	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-28.1	-175.6	0	0	0	0	0	114.2	A886 T892	A886-A888 PolarHBondContact O-N 3.22Å; A888-T892 PolarHBondContact O-OG1 3.25Å
889	E	37.6	Very low	36.5	Very low	135 Å²	135	128.6 Å²	128.6	63%	0.631	68%	0.681	S	S	*	*	H	α-helix	trans	-87.2	-31.6	-170.4	-59.8	-168.7	149.4	0	0	112.8	I891 T892 Q893	E889-I891 PolarHBondContact O-N 3.44Å; E889-T892 WeakPolarHBondContact O-CB 3.27Å; E889-T892 PolarHBondContact O-N 2.75Å; E889-Q893 PolarHBondContact O-N 2.74Å; E889-Q893 VanDerWaalsContact O-N 3.12Å
890	H	37.3	Very low	36.7	Very low	138 Å²	138	127.5 Å²	127.5	64%	0.639	68%	0.682	S	S	*	*	H	α-helix	trans	-66.2	-41.1	-173.1	-151.9	-126.4	0	0	0	113.3	T892 Q893 V894	H890-T892 VanDerWaalsContact C-N 3.25Å; H890-T892 PolarHBondContact O-N 2.74Å; H890-Q893 PolarHBondContact O-N 2.76Å; H890-V894 WeakPolarHBondContact O-CG2 3.34Å; H890-V894 PolarHBondContact O-N 2.94Å
891	I	36.8	Very low	36.8	Very low	114 Å²	114	127 Å²	127	59%	0.585	68%	0.681	S	S	*	*	H	α-helix	trans	-63.6	-34.7	176.4	-63.5	175.5	0	0	0	110.9	E889 Q895	E889-I891 PolarHBondContact O-N 3.44Å; I891-Q895 PolarHBondContact O-N 3.44Å
892	T	44.3	Very low	36.4	Very low	83 Å²	83	129.5 Å²	129.5	51%	0.509	68%	0.682	S	S	.	*	H	α-helix	trans	-70.9	-36.2	179.1	-50.3	0	0	0	0	111.8	A888 E889 H890 L896	A888-T892 PolarHBondContact O-OG1 3.25Å; E889-T892 WeakPolarHBondContact O-CB 3.27Å; E889-T892 PolarHBondContact O-N 2.75Å; H890-T892 VanDerWaalsContact C-N 3.25Å; H890-T892 PolarHBondContact O-N 2.74Å; T892-L896 HydrophobicContact CG2-CD1 4.5Å; T892-L896 WeakPolarHBondContact O-CG 3.29Å; T892-L896 PolarHBondContact O-N 3.25Å
893	Q	41	Very low	36.5	Very low	111 Å²	111	128.2 Å²	128.2	52%	0.519	68%	0.68	S	S	.	*	H	α-helix	trans	-73.9	-36	178.9	-69.4	-177	6.1	0	0	113.4	E889 H890 L896 H897	E889-Q893 PolarHBondContact O-N 2.74Å; E889-Q893 VanDerWaalsContact O-N 3.12Å; H890-Q893 PolarHBondContact O-N 2.76Å; Q893-L896 PolarHBondContact O-N 2.94Å; Q893-H897 PolarHBondContact O-N 3.11Å; Q893-H897 PolarHBondContact O-ND1 3.09Å
894	V	40.1	Very low	36.5	Very low	74 Å²	74	128.1 Å²	128.1	45%	0.448	68%	0.68	S	S	.	*	H	α-helix	trans	-67	-41.1	175.8	175.4	0	0	0	0	111.3	H890 L896 H897 Q898	H890-V894 WeakPolarHBondContact O-CG2 3.34Å; H890-V894 PolarHBondContact O-N 2.94Å; V894-L896 PolarHBondContact O-N 3.1Å; V894-H897 PolarHBondContact O-N 3.33Å; V894-Q898 PolarHBondContact O-N 3.3Å
895	Q	42.8	Very low	36.6	Very low	124 Å²	124	128.2 Å²	128.2	58%	0.579	68%	0.675	S	S	*	*	H	α-helix	trans	-76	-5.8	178.4	-67.4	-175	-0.1	0	0	114.5	I891	I891-Q895 PolarHBondContact O-N 3.44Å
896	L	45.9	Very low	37.1	Very low	111 Å²	111	125.9 Å²	125.9	58%	0.581	68%	0.675	S	S	*	*	H	α-helix	trans	-90.5	-37.7	168.1	-78.9	167.1	0	0	0	112.3	T892 Q893 V894 Q898 R899	T892-L896 HydrophobicContact CG2-CD1 4.5Å; T892-L896 WeakPolarHBondContact O-CG 3.29Å; T892-L896 PolarHBondContact O-N 3.25Å; Q893-L896 PolarHBondContact O-N 2.94Å; V894-L896 PolarHBondContact O-N 3.1Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; L896-Q898 PolarHBondContact O-N 3.4Å; L896-R899 PolarHBondContact O-N 3.14Å
897	H	41.8	Very low	37.5	Very low	159 Å²	159	127.3 Å²	127.3	74%	0.736	68%	0.677	S	S	*	*	H	α-helix	trans	-67	-30.6	179.4	-85.3	85.2	0	0	0	113.8	Q893 V894 R899	Q893-H897 PolarHBondContact O-N 3.11Å; Q893-H897 PolarHBondContact O-ND1 3.09Å; V894-H897 PolarHBondContact O-N 3.33Å; H897-R899 PolarHBondContact O-N 3.36Å
898	Q	39.1	Very low	37.9	Very low	170 Å²	170	128.5 Å²	128.5	79%	0.794	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	15.7	176.6	-65.5	-176	-14.1	0	0	114	V894 L896	V894-Q898 PolarHBondContact O-N 3.3Å; L896-Q898 VanDerWaalsContact C-N 3.34Å; L896-Q898 PolarHBondContact O-N 3.4Å
899	R	38.5	Very low	37.9	Very low	212 Å²	212	129.9 Å²	129.9	80%	0.8	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	9.9	-177.5	-114.2	175.5	177.6	159.1	-2	114.4	L896 H897	L896-R899 PolarHBondContact O-N 3.14Å; H897-R899 PolarHBondContact O-N 3.36Å
900	A	36.1	Very low	37.5	Very low	88 Å²	88	129.2 Å²	129.2	73%	0.727	69%	0.693	S	S	*	*	S	Bend	trans	-127.6	39.3	-172.1	0	0	0	0	0	113.1
901	D	32.1	Very low	37.5	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	70%	0.697	S	S	*	*	S	Bend	trans	-143.5	155.9	163	-152	-17.7	0	0	0	110.7
902	Q	29	Very low	37.3	Very low	172 Å²	172	128.7 Å²	128.7	80%	0.804	71%	0.707	S	S	*	*			trans	64.7	75.5	179.2	-55.8	-175.9	30.3	0	0	117.4
903	T	32.4	Very low	36.7	Very low	130 Å²	130	129.4 Å²	129.4	80%	0.798	72%	0.715	S	S	*	*			trans	-173.7	132.7	143	15.7	0	0	0	0	108.8
904	Q	31.8	Very low	36.3	Very low	160 Å²	160	130.8 Å²	130.8	75%	0.748	73%	0.731	S	S	*	*			cis	-158.9	138.2	-4.3	-142.5	-172.3	-40.3	0	0	113.3
905	D	34.2	Very low	35.9	Very low	135 Å²	135	130.2 Å²	130.2	72%	0.722	74%	0.74	S	S	*	*			trans	53.3	126.3	153.9	-61.5	-32.2	0	0	0	125.2
906	P	42.8	Very low	35.4	Very low	119 Å²	119	132.7 Å²	132.7	77%	0.773	76%	0.756	S	S	*	*			trans	-116.9	164.5	166.5	42.4	-33.7	0	0	0	115
907	P	38.4	Very low	34.7	Very low	109 Å²	109	131.7 Å²	131.7	71%	0.708	76%	0.759	S	S	*	*			trans	-147.2	134.6	156.8	37.7	-20	0	0	0	118.8
908	T	37.5	Very low	34.3	Very low	132 Å²	132	130.7 Å²	130.7	81%	0.81	76%	0.758	S	S	*	*			trans	70.5	160.3	137.5	56.4	0	0	0	0	122.8
909	P	37.3	Very low	34.2	Very low	103 Å²	103	130.6 Å²	130.6	67%	0.669	76%	0.762	S	S	*	*			cis	-143.5	153.9	-28.3	34.1	-14.8	0	0	0	118.4
910	C	29.2	Very low	33.9	Very low	121 Å²	121	127.6 Å²	127.6	82%	0.818	76%	0.762	S	S	*	*			trans	65.3	165.6	139.4	-70.1	0	0	0	0	122.6
911	P	36.1	Very low	33.9	Very low	111 Å²	111	126.2 Å²	126.2	72%	0.721	76%	0.756	S	S	*	*			cis	-139.8	-162.6	-31.4	33.5	-11	0	0	0	114.7
912	V	32.6	Very low	33.9	Very low	131 Å²	131	124.9 Å²	124.9	79%	0.794	75%	0.753	S	S	*	*			trans	87.8	141.7	162.7	-169.7	0	0	0	0	117.4
913	S	31.6	Very low	34.2	Very low	97 Å²	97	124.8 Å²	124.8	68%	0.678	75%	0.75	S	S	*	*			cis	-176.3	166.8	-34	-83	0	0	0	0	110.4
914	V	33	Very low	34.3	Very low	141 Å²	141	125.2 Å²	125.2	86%	0.855	74%	0.743	S	S	*	*			trans	75.2	139.2	165.8	-167	0	0	0	0	116.1
915	G	30.9	Very low	34.4	Very low	61 Å²	61	123 Å²	123	63%	0.629	74%	0.736	S	S	*	*			cis	125.5	128.9	-13.5	0	0	0	0	0	116.2
916	L	32.6	Very low	34.5	Very low	176 Å²	176	124.4 Å²	124.4	92%	0.921	74%	0.738	S	S	*	*			trans	172.2	167.3	146.1	-97.9	166.7	0	0	0	114.9
917	S	32.1	Very low	33.9	Very low	91 Å²	91	124.9 Å²	124.9	64%	0.636	74%	0.735	S	S	*	*			trans	-146.5	-168.8	-174.5	45.5	0	0	0	0	109.7
918	D	33.4	Very low	34	Very low	137 Å²	137	125 Å²	125	73%	0.733	74%	0.735	S	S	*	*			cis	-150.6	-151	22.4	-53	-79	0	0	0	111.4
919	I	36.6	Very low	33.8	Very low	168 Å²	168	122.3 Å²	122.3	86%	0.862	73%	0.734	S	S	*	*			trans	101.3	142.4	159.4	-54.3	163.7	0	0	0	118
920	D	33	Very low	33.5	Very low	150 Å²	150	125.8 Å²	125.8	80%	0.802	74%	0.739	S	S	*	*				177.4	137	-66.4	178.8	36.7	0	0	0	113.4
921	G	35.5	Very low	33.8	Very low	58 Å²	58	127.8 Å²	127.8	60%	0.598	74%	0.736	S	S	*	*			trans	75.5	168.4	151.9	0	0	0	0	0	122.3
922	T	32.4	Very low	33.7	Very low	121 Å²	121	128.9 Å²	128.9	74%	0.742	73%	0.732	S	S	*	*			cis	-174.7	171.8	-21.2	34	0	0	0	0	111.7
923	K	35.3	Very low	33.4	Very low	170 Å²	170	130.3 Å²	130.3	74%	0.739	73%	0.727	S	S	*	*			trans	110	143.3	151.7	-67	173.8	166.3	-78.5	0	118.3
924	E	34.2	Very low	33.3	Very low	139 Å²	139	132.2 Å²	132.2	65%	0.65	73%	0.734	S	S	*	*			cis	-176.6	167.1	-15.9	-115.5	-171	90.8	0	0	108.6
925	N	33.7	Very low	33.1	Very low	112 Å²	112	133.6 Å²	133.6	60%	0.599	73%	0.729	S	S	*	*			cis	-169.2	173.7	-9.9	-155.9	-22.8	0	0	0	110.7
926	Q	36.1	Very low	33	Very low	165 Å²	165	137.4 Å²	137.4	77%	0.771	74%	0.735	S	S	*	*			trans	80.4	156.9	170.5	-44.9	141.1	123.1	0	0	115.6
927	D	31.4	Very low	32.8	Very low	130 Å²	130	136.4 Å²	136.4	70%	0.695	73%	0.73	S	S	*	*			cis	78	146.4	18	-152	48.6	0	0	0	114.6
928	P	38.9	Very low	32.7	Very low	110 Å²	110	137.3 Å²	137.3	71%	0.714	73%	0.734	S	S	*	*			cis	-135.1	151.9	-0.6	16.8	9.6	0	0	0	119.3
929	G	33.2	Very low	32.4	Very low	77 Å²	77	138.4 Å²	138.4	79%	0.794	74%	0.74	S	S	*	*			trans	-163.4	118.9	156.1	0	0	0	0	0	112.6
930	K	32.7	Very low	32	Very low	175 Å²	175	136.4 Å²	136.4	76%	0.761	74%	0.741	S	S	*	*			trans	-107.6	139.9	-170.1	-64.8	160.6	-178.2	156.4	0	110.9
931	Q	34.9	Very low	31.7	Very low	164 Å²	164	133.4 Å²	133.4	77%	0.766	74%	0.737	S	S	*	*				175.6	167.3	76.2	-77.3	-172.3	92.8	0	0	108.9
932	Q	33.1	Very low	31.3	Very low	134 Å²	134	139 Å²	139	63%	0.626	75%	0.752	S	S	*	*			cis	-160.4	122.8	-20.5	-110.2	-163.7	98	0	0	106.4
933	K	27.6	Very low	30.9	Very low	161 Å²	161	142 Å²	142	70%	0.7	76%	0.755	S	S	*	*				86.5	92	87.2	-177	-154.8	172	-175	0	117
934	V	28.3	Very low	30.5	Very low	137 Å²	137	141.6 Å²	141.6	83%	0.83	76%	0.76	S	S	*	*			trans	-150	98.6	134.9	-172.7	0	0	0	0	106.9
935	K	29.9	Very low	30.2	Very low	170 Å²	170	140.3 Å²	140.3	74%	0.739	76%	0.758	S	S	*	*				45.5	100	103.5	-76.3	-158.7	169.7	-161.8	0	115.8
936	N	27.2	Very low	29.9	Very low	141 Å²	141	140 Å²	140	75%	0.754	76%	0.76	S	S	*	*				90.6	98.1	79.6	-89.3	66.7	0	0	0	113.4
937	D	29	Very low	29.4	Very low	154 Å²	154	137.4 Å²	137.4	82%	0.824	76%	0.76	S	S	*	*				-173.1	141.6	120.9	-95	-18.6	0	0	0	110
938	P	31	Very low	29.3	Very low	111 Å²	111	136 Å²	136	72%	0.721	76%	0.76	S	S	*	*			trans	-84.1	163.4	178.5	34.2	-34.5	0	0	0	112.7
939	N	27.2	Very low	28.7	Very low	160 Å²	160	137.2 Å²	137.2	86%	0.856	76%	0.76	S	S	*	*	S	Bend	trans	74	59.7	179.6	-57.7	-27.5	0	0	0	117
940	S	27.4	Very low	28.5	Very low	126 Å²	126	138.3 Å²	138.3	88%	0.881	76%	0.762	S	S	*	*			trans	-154.7	152.4	145.2	-90.5	0	0	0	0	112
941	A	26.1	Very low	28.3	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	76%	0.761	S	S	*	*			trans	-80.1	142.3	-176.1	0	0	0	0	0	112.5
942	L	27.1	Very low	27.9	Very low	174 Å²	174	139.2 Å²	139.2	91%	0.911	77%	0.768	S	S	*	*			trans	-132.2	148.7	148.5	-75.6	-179.9	0	0	0	108.6
943	F	25.1	Very low	27.8	Very low	184 Å²	184	139.8 Å²	139.8	81%	0.807	78%	0.776	S	S	*	*			trans	-81.4	142.1	-172.2	-78.2	-123.6	0	0	0	111.1
944	L	25.9	Very low	27.8	Very low	162 Å²	162	136.9 Å²	136.9	85%	0.848	78%	0.776	S	S	*	*			trans	-77.1	122	152.8	-92.4	161.3	0	0	0	108	V946	L944-V946 HydrophobicContact CB-CG2 4.48Å; L944-V946 PolarHBondContact O-N 2.93Å
945	D	27.6	Very low	27.7	Very low	112 Å²	112	139.9 Å²	139.9	60%	0.599	77%	0.773	S	S	*	*			trans	-84.9	94.7	174.3	-175.2	7.7	0	0	0	110	S947	D945-S947 PolarHBondContact O-N 3.18Å; D945-S947 WeakPolarHBondContact OD1-CB 3.42Å; D945-S947 PolarHBondContact OD1-N 3.34Å; D945-S947 VanDerWaalsContact OD1-N 3.14Å; D945-S947 PolarHBondContact OD1-OG 2.99Å
946	V	27.7	Very low	27.8	Very low	107 Å²	107	135.9 Å²	135.9	65%	0.648	77%	0.766	S	S	*	*			trans	-80	2	-178	-161.1	0	0	0	0	111.8	L944 S948	L944-V946 HydrophobicContact CB-CG2 4.48Å; L944-V946 PolarHBondContact O-N 2.93Å; V946-S948 PolarHBondContact O-N 3.28Å
947	S	25.3	Very low	27.8	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	4.5	-171.7	-46.1	0	0	0	0	115.6	D945	D945-S947 PolarHBondContact O-N 3.18Å; D945-S947 WeakPolarHBondContact OD1-CB 3.42Å; D945-S947 PolarHBondContact OD1-N 3.34Å; D945-S947 VanDerWaalsContact OD1-N 3.14Å; D945-S947 PolarHBondContact OD1-OG 2.99Å
948	S	29.6	Very low	27.9	Very low	99 Å²	99	129.7 Å²	129.7	69%	0.692	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	0.2	-170.1	58	0	0	0	0	115.7	V946	V946-S948 PolarHBondContact O-N 3.28Å
949	L	27.3	Very low	27.9	Very low	136 Å²	136	128.1 Å²	128.1	71%	0.712	73%	0.729	S	S	*	*	S	Bend	trans	-112.5	122.6	-172.8	-72.4	171.2	0	0	0	113.7
950	A	29	Very low	28.7	Very low	101 Å²	101	120.9 Å²	120.9	84%	0.835	69%	0.691	S	S	*	*			trans	69	130.8	168.5	0	0	0	0	0	118.5
951	P	28.3	Very low	29.4	Very low	114 Å²	114	120 Å²	120	74%	0.74	68%	0.68	S	S	*	*			trans	-119.6	-177	-177.3	44.2	-34.3	0	0	0	114.8
952	R	26.4	Very low	30.7	Very low	244 Å²	244	118.8 Å²	118.8	92%	0.921	66%	0.659	S	S	*	*			trans	62.5	79.7	160.2	-65.3	176.7	170.4	175.7	-4.4	118.4
953	N	30	Very low	32	Very low	146 Å²	146	113.2 Å²	113.2	78%	0.781	63%	0.63	S	S	*	*			trans	-152.5	147.9	135.1	-155.6	-29.2	0	0	0	110.2
954	S	27.8	Very low	33.9	Very low	100 Å²	100	105.1 Å²	105.1	70%	0.699	59%	0.594	S	S	*	*			trans	-114.9	0	-167.8	51.6	0	0	0	0	115.7
955	Y	27.4	Very low	35.6	Very low	199 Å²	199	98.7 Å²	98.7	78%	0.78	56%	0.561	S	S	*	*	S	Bend	trans	-102.5	-8.9	-165.8	-76.8	-89.3	0	0	0	116.8
956	C	30.8	Very low	37.2	Very low	87 Å²	87	99.2 Å²	99.2	59%	0.588	56%	0.559	S	S	*	*	S	Bend	trans	-97.4	-4.4	-163.9	-161.7	0	0	0	0	116.3	L958	C956-L958 PolarHBondContact O-N 2.88Å
957	A	27.1	Very low	39.1	Very low	45 Å²	45	97.3 Å²	97.3	37%	0.372	54%	0.543	S	S	.	.	S	Bend	trans	-92.3	7.2	-157.7	0	0	0	0	0	117.2	F1057 W1059	A957-F1057 WeakPolarHBondContact O-CD1 3.41Å; A957-W1059 WeakPolarHBondContact O-CH2 3.26Å
958	L	30.8	Very low	41.2	Very low	120 Å²	120	97.7 Å²	97.7	63%	0.628	54%	0.536	S	S	*	.	S	Bend	trans	-134.6	-1.8	-167.3	-98.1	161.6	0	0	0	116	C956 W1059	C956-L958 PolarHBondContact O-N 2.88Å; L958-W1059 HydrophobicContact CD2-CH2 3.73Å; L958-W1059 HydrophobicContact CD2-CZ3 3.76Å; L958-W1059 HydrophobicContact CG-CH2 4.15Å; L958-W1059 HydrophobicContact CG-CZ3 3.87Å
959	C	32.6	Very low	43	Very low	78 Å²	78	99.7 Å²	99.7	53%	0.527	53%	0.534	S	S	.	.			trans	-120.9	37.1	-153.5	-61.1	0	0	0	0	115.7
960	D	43.3	Very low	45.4	Very low	8 Å²	8	93.6 Å²	93.6	4%	0.043	50%	0.502	C	S	.	.			trans	-99.2	77.8	155.2	-128.4	-53.7	0	0	0	108.4	H962 L965 R1035 R1037 F1057	D960-H962 PolarHBondContact O-N 3.1Å; D960-H962 IonicContact OD1-CE1 3.34Å; D960-H962 IonicContact OD1-CG 3.19Å; D960-H962 IonicContact OD1-ND1 2.64Å; D960-H962 PolarHBondContact OD1-ND1 2.98Å; D960-L965 HydrophobicContact CB-CD1 3.83Å; D960-R1035 IonicContact OD1-NH1 2.75Å; D960-R1035 IonicContact OD2-CZ 3.22Å; D960-R1035 IonicContact OD2-NH1 3.21Å; D960-R1035 PolarHBondContact OD2-NH1 3.41Å; D960-R1037 IonicContact OD2-CZ 3.56Å; D960-R1037 IonicContact OD2-NE 3.61Å; D960-R1037 PolarHBondContact OD2-NE 3.43Å; D960-R1037 IonicContact OD2-NH2 3.2Å; D960-R1037 PolarHBondContact OD2-NH2 2.82Å; D960-F1057 HydrophobicContact CB-CE2 4.31Å; D960-F1057 HydrophobicContact CB-CZ 4.17Å
961	T	41.6	Very low	47.9	Very low	107 Å²	107	90.8 Å²	90.8	66%	0.656	48%	0.475	S	S	*	.			trans	-91.5	25.3	-177.1	52.7	0	0	0	0	112.2
962	H	53.9	Low	50.1	Low	61 Å²	61	86.4 Å²	86.4	28%	0.282	45%	0.449	S	S	.	.			trans	-78	122.2	179.6	-72.1	106.1	0	0	0	111.4	D960 Y964 L965	D960-H962 PolarHBondContact O-N 3.1Å; D960-H962 IonicContact OD1-CE1 3.34Å; D960-H962 IonicContact OD1-CG 3.19Å; D960-H962 IonicContact OD1-ND1 2.64Å; D960-H962 PolarHBondContact OD1-ND1 2.98Å; H962-Y964 HydrophobicContact CB-CD1 3.66Å; H962-Y964 HydrophobicContact CB-CE1 3.28Å; H962-Y964 HydrophobicContact CB-CG 4.46Å; H962-Y964 AromaticContact CG-CE1 3.64Å; H962-Y964 PolarHBondContact O-N 3.16Å; H962-L965 WeakPolarHBondContact O-CB 3.47Å; H962-L965 PolarHBondContact O-N 2.8Å
963	D	54.8	Low	52.9	Low	58 Å²	58	76.5 Å²	76.5	31%	0.31	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-55.6	-28.7	-174.2	-66.1	-28.8	0	0	0	114.3	P691 L965 H966 Q967	P691-D963 WeakPolarHBondContact CB-OD1 3.17Å; P691-D963 WeakPolarHBondContact CB-OD2 3.5Å; P691-D963 WeakPolarHBondContact CD-OD2 3.48Å; D963-L965 PolarHBondContact O-N 3.44Å; D963-H966 PolarHBondContact O-N 3.07Å; D963-Q967 WeakPolarHBondContact O-CG 3.49Å; D963-Q967 PolarHBondContact O-N 3.1Å
964	Y	64	Low	55.5	Low	13 Å²	13	69.6 Å²	69.6	5%	0.051	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-60.3	-31.4	176.7	71.1	-104.6	0	0	0	112.8	H962 H966 Q967 I975 R982 I1005 P1006	H962-Y964 HydrophobicContact CB-CD1 3.66Å; H962-Y964 HydrophobicContact CB-CE1 3.28Å; H962-Y964 HydrophobicContact CB-CG 4.46Å; H962-Y964 AromaticContact CG-CE1 3.64Å; H962-Y964 PolarHBondContact O-N 3.16Å; Y964-H966 PolarHBondContact O-N 3.15Å; Y964-Q967 PolarHBondContact O-N 3.29Å; Y964-Q967 VanDerWaalsContact O-N 3.16Å; Y964-I975 WeakPolarHBondContact O-CG2 3.41Å; Y964-R982 VanDerWaalsContact CE2-NH2 3.32Å; Y964-I1005 HydrophobicContact CD1-CG2 4.3Å; Y964-I1005 HydrophobicContact CD2-CG2 3.8Å; Y964-I1005 HydrophobicContact CE2-CG2 4.11Å; Y964-I1005 HydrophobicContact CG-CG1 4.47Å; Y964-I1005 HydrophobicContact CG-CG2 3.94Å; Y964-P1006 VanDerWaalsContact CE1-CD 3.4Å; Y964-P1006 HydrophobicContact CE1-CG 3.87Å
965	L	61.4	Low	57.9	Low	27 Å²	27	66.2 Å²	66.2	14%	0.141	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-66.3	-18.1	175.4	-66.9	174.2	0	0	0	112.5	D960 H962 D963 I975	D960-L965 HydrophobicContact CB-CD1 3.83Å; H962-L965 WeakPolarHBondContact O-CB 3.47Å; H962-L965 PolarHBondContact O-N 2.8Å; D963-L965 PolarHBondContact O-N 3.44Å; L965-I975 WeakPolarHBondContact CD2-O 3.33Å
966	H	62.3	Low	59.9	Low	123 Å²	123	57.1 Å²	57.1	57%	0.569	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-102.4	-7.7	177.3	-57.9	-32.1	0	0	0	113.2	D963 Y964 I968	D963-H966 PolarHBondContact O-N 3.07Å; Y964-H966 PolarHBondContact O-N 3.15Å; H966-I968 VanDerWaalsContact C-N 3.27Å; H966-I968 PolarHBondContact O-N 3.08Å
967	Q	66.6	Low	61.3	Low	67 Å²	67	54.6 Å²	54.6	31%	0.313	30%	0.296	S	S	.	.			trans	-77.4	69.9	178.1	-75.3	179.9	49.8	0	0	111.9	D963 Y964 H969 L970	D963-Q967 WeakPolarHBondContact O-CG 3.49Å; D963-Q967 PolarHBondContact O-N 3.1Å; Y964-Q967 PolarHBondContact O-N 3.29Å; Y964-Q967 VanDerWaalsContact O-N 3.16Å; Q967-H969 PolarHBondContact O-N 2.92Å; Q967-H969 PolarHBondContact OE1-CE1 3.29Å; Q967-H969 VanDerWaalsContact OE1-CE1 3.25Å; Q967-L970 HydrophobicContact CB-CD1 3.59Å; Q967-L970 HydrophobicContact CB-CG 4.01Å; Q967-L970 HydrophobicContact CG-CD1 4.49Å; Q967-L970 WeakPolarHBondContact O-CB 3.44Å; Q967-L970 PolarHBondContact O-N 2.84Å
968	I	69.4	Low	62.9	Low	119 Å²	119	52.8 Å²	52.8	61%	0.61	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-1.5	-179.9	64.7	164.8	0	0	0	116.3	H966	H966-I968 VanDerWaalsContact C-N 3.27Å; H966-I968 PolarHBondContact O-N 3.08Å
969	H	69.1	Low	64.8	Low	140 Å²	140	48.4 Å²	48.4	65%	0.648	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.8	174	71.9	-92.7	0	0	0	112.4	Q967	Q967-H969 PolarHBondContact O-N 2.92Å; Q967-H969 PolarHBondContact OE1-CE1 3.29Å; Q967-H969 VanDerWaalsContact OE1-CE1 3.25Å
970	L	76.9	Confident	66.4	Low	8 Å²	8	47.6 Å²	47.6	4%	0.042	25%	0.245	C	C	.	.	S	Bend	trans	-80.5	151.3	175.5	-63.2	171.4	0	0	0	111	Q967 I975 H1003 I1005	Q967-L970 HydrophobicContact CB-CD1 3.59Å; Q967-L970 HydrophobicContact CB-CG 4.01Å; Q967-L970 HydrophobicContact CG-CD1 4.49Å; Q967-L970 WeakPolarHBondContact O-CB 3.44Å; Q967-L970 PolarHBondContact O-N 2.84Å; L970-I975 HydrophobicContact CB-CG2 3.56Å; L970-I975 HydrophobicContact CD1-CG2 3.49Å; L970-I975 VanDerWaalsContact CD1-CG2 3.49Å; L970-I975 HydrophobicContact CG-CG2 4.17Å; L970-H1003 HydrophobicContact CD2-CB 3.96Å; L970-H1003 VanDerWaalsContact CD2-ND1 3.29Å; L970-H1003 WeakPolarHBondContact CD2-ND1 3.47Å; L970-I1005 HydrophobicContact CD1-CD1 3.59Å; L970-I1005 HydrophobicContact CD1-CG1 4.44Å; L970-I1005 HydrophobicContact CD2-CD1 4.45Å
971	P	80.4	Confident	67.8	Low	42 Å²	42	47.2 Å²	47.2	27%	0.273	24%	0.243	S	C	.	.			trans	-59.8	144.5	173.4	-23.7	33.6	0	0	0	113.3	Y973 L974 I975	P971-Y973 HydrophobicContact CB-CD1 3.96Å; P971-Y973 HydrophobicContact CB-CD2 4.03Å; P971-Y973 HydrophobicContact CB-CE1 3.4Å; P971-Y973 VanDerWaalsContact CB-CE1 3.4Å; P971-Y973 HydrophobicContact CB-CE2 3.48Å; P971-Y973 VanDerWaalsContact CB-CE2 3.48Å; P971-Y973 HydrophobicContact CB-CG 4.23Å; P971-Y973 WeakPolarHBondContact CB-OH 3.47Å; P971-Y973 HydrophobicContact CG-CE1 4.28Å; P971-Y973 HydrophobicContact CG-CE2 3.94Å; P971-Y973 VanDerWaalsContact CG-OH 3.29Å; P971-Y973 WeakPolarHBondContact CG-OH 3.45Å; P971-Y973 PolarHBondContact O-N 3.41Å; P971-L974 HydrophobicContact CG-CD1 4.5Å; P971-L974 PolarHBondContact O-N 2.85Å; P971-I975 PolarHBondContact O-N 3.27Å
972	A	74.7	Confident	69.6	Low	23 Å²	23	42.1 Å²	42.1	19%	0.19	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-23.1	-175	0	0	0	0	0	114.5	L974 S976 L985 I1168	A972-L974 VanDerWaalsContact C-N 3.26Å; A972-L974 PolarHBondContact O-N 2.85Å; A972-S976 VanDerWaalsContact O-CB 3.29Å; A972-S976 WeakPolarHBondContact O-CB 3.43Å; A972-S976 PolarHBondContact O-N 2.92Å; A972-S976 PolarHBondContact O-OG 2.97Å; A972-L985 HydrophobicContact CB-CD1 3.79Å; A972-I1168 HydrophobicContact CB-CD1 4.46Å
973	Y	85.7	Confident	70.9	Confident	36 Å²	36	40.4 Å²	40.4	14%	0.141	20%	0.203	C	C	.	.	H	α-helix	trans	-72.6	-12.6	173.2	49.7	-105.7	0	0	0	114.4	P971 R982 A986 A989 I991 L996 L999	P971-Y973 HydrophobicContact CB-CD1 3.96Å; P971-Y973 HydrophobicContact CB-CD2 4.03Å; P971-Y973 HydrophobicContact CB-CE1 3.4Å; P971-Y973 VanDerWaalsContact CB-CE1 3.4Å; P971-Y973 HydrophobicContact CB-CE2 3.48Å; P971-Y973 VanDerWaalsContact CB-CE2 3.48Å; P971-Y973 HydrophobicContact CB-CG 4.23Å; P971-Y973 WeakPolarHBondContact CB-OH 3.47Å; P971-Y973 HydrophobicContact CG-CE1 4.28Å; P971-Y973 HydrophobicContact CG-CE2 3.94Å; P971-Y973 VanDerWaalsContact CG-OH 3.29Å; P971-Y973 WeakPolarHBondContact CG-OH 3.45Å; P971-Y973 PolarHBondContact O-N 3.41Å; Y973-R982 WeakPolarHBondContact CB-O 3.43Å; Y973-R982 VanDerWaalsContact O-CB 3.26Å; Y973-R982 WeakPolarHBondContact O-CB 3.43Å; Y973-R982 VanDerWaalsContact O-CG 3.3Å; Y973-R982 WeakPolarHBondContact O-CG 3.36Å; Y973-A986 HydrophobicContact CG-CB 4.42Å; Y973-A989 HydrophobicContact CD1-CB 3.99Å; Y973-A989 HydrophobicContact CE1-CB 3.78Å; Y973-I991 HydrophobicContact CD1-CD1 3.97Å; Y973-I991 HydrophobicContact CD2-CD1 4.23Å; Y973-I991 HydrophobicContact CE1-CD1 3.27Å; Y973-I991 HydrophobicContact CE2-CD1 3.59Å; Y973-I991 HydrophobicContact CG-CD1 4.41Å; Y973-I991 WeakPolarHBondContact OH-CD1 3.42Å; Y973-L996 HydrophobicContact CD2-CD1 3.47Å; Y973-L996 VanDerWaalsContact CD2-CD1 3.47Å; Y973-L996 HydrophobicContact CE2-CD1 4.15Å; Y973-L996 HydrophobicContact CG-CD1 4.13Å; Y973-L999 HydrophobicContact CE2-CD1 3.87Å
974	L	84.6	Confident	72.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-100.8	-22.3	174.4	-54.9	-176.1	0	0	0	113.7	P971 A972 R982 L996 L999 H1000 H1003 I1005	P971-L974 HydrophobicContact CG-CD1 4.5Å; P971-L974 PolarHBondContact O-N 2.85Å; A972-L974 VanDerWaalsContact C-N 3.26Å; A972-L974 PolarHBondContact O-N 2.85Å; L974-R982 PolarHBondContact O-NH1 3.48Å; L974-R982 PolarHBondContact O-NH2 3.37Å; L974-L996 HydrophobicContact CD2-CD1 4.05Å; L974-L999 HydrophobicContact CD1-CB 4.2Å; L974-L999 HydrophobicContact CD2-CB 3.93Å; L974-H1000 VanDerWaalsContact CD2-CE1 3.45Å; L974-H1000 WeakPolarHBondContact CD2-CE1 3.25Å; L974-H1000 WeakPolarHBondContact CD2-ND1 3.42Å; L974-H1003 HydrophobicContact CD1-CB 4.47Å; L974-I1005 HydrophobicContact CB-CD1 3.6Å; L974-I1005 HydrophobicContact CD1-CD1 3.89Å; L974-I1005 HydrophobicContact CG-CD1 4.28Å
975	I	77.6	Confident	72.9	Confident	29 Å²	29	40.3 Å²	40.3	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-115.8	2	-175.2	64.9	173	0	0	0	114.1	Y964 L965 L970 P971 P977	Y964-I975 WeakPolarHBondContact O-CG2 3.41Å; L965-I975 WeakPolarHBondContact CD2-O 3.33Å; L970-I975 HydrophobicContact CB-CG2 3.56Å; L970-I975 HydrophobicContact CD1-CG2 3.49Å; L970-I975 VanDerWaalsContact CD1-CG2 3.49Å; L970-I975 HydrophobicContact CG-CG2 4.17Å; P971-I975 PolarHBondContact O-N 3.27Å; I975-P977 WeakPolarHBondContact O-CD 3.17Å
976	S	70.6	Confident	74.1	Confident	8 Å²	8	39.2 Å²	39.2	6%	0.056	20%	0.196	C	C	.	.			trans	-66.5	133	174.6	-74.1	0	0	0	0	111.3	A972 C978 C981 R982 L985	A972-S976 VanDerWaalsContact O-CB 3.29Å; A972-S976 WeakPolarHBondContact O-CB 3.43Å; A972-S976 PolarHBondContact O-N 2.92Å; A972-S976 PolarHBondContact O-OG 2.97Å; S976-C978 PolarHBondContact O-N 3.46Å; S976-C981 VanDerWaalsContact CB-CB 3.48Å; S976-R982 PolarHBondContact O-NE 3.24Å; S976-R982 PolarHBondContact O-NH2 3.32Å; S976-L985 WeakPolarHBondContact OG-CD1 3.42Å
977	P	58.9	Low	75.1	Confident	34 Å²	34	37.8 Å²	37.8	22%	0.221	19%	0.193	C	C	.	.	S	Bend	trans	-53.5	-46.6	174.7	-36.7	42.4	0	0	0	114.8	I975 E1056 C1164	I975-P977 WeakPolarHBondContact O-CD 3.17Å; P977-E1056 VanDerWaalsContact CA-CD 3.46Å; P977-E1056 WeakPolarHBondContact CA-OE2 3.23Å; P977-E1056 HydrophobicContact CB-CB 3.98Å; P977-E1056 HydrophobicContact CB-CG 4.02Å; P977-E1056 WeakPolarHBondContact CB-OE2 3.22Å; P977-E1056 VanDerWaalsContact O-CD 3.25Å; P977-E1056 WeakPolarHBondContact O-CG 3.43Å; P977-C1164 HydrophobicContact CB-CB 3.78Å; P977-C1164 HydrophobicContact CG-CB 3.61Å
978	C	62.1	Low	76	Confident	8 Å²	8	39 Å²	39	5%	0.054	20%	0.198	C	C	.	.	S	Bend	trans	-92.7	137.8	-174.5	96.7	0	0	0	0	112.6	S976 H980 C981 R982	S976-C978 PolarHBondContact O-N 3.46Å; C978-H980 VanDerWaalsContact C-N 3.27Å; C978-H980 PolarHBondContact O-N 2.61Å; C978-C981 HydrophobicContact CB-CB 4.2Å; C978-C981 WeakPolarHBondContact CB-SG 3.37Å; C978-C981 WeakPolarHBondContact O-CA 3.37Å; C978-C981 WeakPolarHBondContact O-CB 3.2Å; C978-C981 PolarHBondContact O-N 2.9Å; C978-C981 WeakPolarHBondContact SG-CB 3.43Å; C978-C981 PolarHBondContact SG-N 2.87Å; C978-C981 CovalentContact SG-SG 2.05Å; C978-C981 PolarHBondContact SG-SG 2.95Å; C978-R982 PolarHBondContact O-N 3.16Å; C978-R982 VanDerWaalsContact O-N 3.09Å
979	Y	70.4	Confident	76.7	Confident	28 Å²	28	35.8 Å²	35.8	11%	0.11	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-37.8	176.8	55.3	-105.8	0	0	0	112.4	C981 R982 E983 F1010 P1052	Y979-C981 PolarHBondContact O-N 3.09Å; Y979-R982 WeakPolarHBondContact O-CB 3.44Å; Y979-R982 PolarHBondContact O-N 3.03Å; Y979-R982 VanDerWaalsContact O-N 3.16Å; Y979-E983 PolarHBondContact O-N 3.42Å; Y979-F1010 HydrophobicContact CD1-CB 4.1Å; Y979-F1010 HydrophobicContact CD1-CD1 4.41Å; Y979-F1010 HydrophobicContact CD1-CG 4.35Å; Y979-F1010 HydrophobicContact CD2-CB 4.23Å; Y979-F1010 AromaticContact CD2-CD1 3.05Å; Y979-F1010 HydrophobicContact CD2-CD1 3.05Å; Y979-F1010 AromaticContact CD2-CE1 3.37Å; Y979-F1010 HydrophobicContact CD2-CE1 3.37Å; Y979-F1010 AromaticContact CD2-CG 3.7Å; Y979-F1010 HydrophobicContact CD2-CG 3.7Å; Y979-F1010 HydrophobicContact CD2-CZ 4.25Å; Y979-F1010 HydrophobicContact CE1-CB 4.31Å; Y979-F1010 HydrophobicContact CE1-CG 4.33Å; Y979-F1010 HydrophobicContact CE2-CB 4.43Å; Y979-F1010 AromaticContact CE2-CD1 3.32Å; Y979-F1010 HydrophobicContact CE2-CD1 3.32Å; Y979-F1010 HydrophobicContact CE2-CD2 4.08Å; Y979-F1010 AromaticContact CE2-CE1 3.36Å; Y979-F1010 HydrophobicContact CE2-CE1 3.36Å; Y979-F1010 HydrophobicContact CE2-CE2 4.11Å; Y979-F1010 AromaticContact CE2-CG 3.67Å; Y979-F1010 HydrophobicContact CE2-CG 3.67Å; Y979-F1010 AromaticContact CE2-CZ 3.77Å; Y979-F1010 HydrophobicContact CE2-CZ 3.77Å; Y979-F1010 HydrophobicContact CG-CB 4.05Å; Y979-F1010 AromaticContact CG-CD1 3.68Å; Y979-F1010 HydrophobicContact CG-CD1 3.68Å; Y979-F1010 HydrophobicContact CG-CE1 4.41Å; Y979-F1010 HydrophobicContact CG-CG 4.05Å; Y979-F1010 AromaticContact CZ-CG 4Å; Y979-P1052 HydrophobicContact CE1-CG 4.38Å
980	H	65.9	Low	77.6	Confident	60 Å²	60	37.7 Å²	37.7	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-57.9	-32.2	172.7	-52.5	96.7	0	0	0	112.4	C978 F984 P1151	C978-H980 VanDerWaalsContact C-N 3.27Å; C978-H980 PolarHBondContact O-N 2.61Å; H980-F984 WeakPolarHBondContact O-CB 3.47Å; H980-F984 PolarHBondContact O-N 3.32Å; H980-F984 VanDerWaalsContact O-N 3.1Å; H980-P1151 HydrophobicContact CB-CB 4.18Å; H980-P1151 HydrophobicContact CB-CG 3.59Å; H980-P1151 WeakPolarHBondContact O-CG 3.3Å
981	C	72.3	Confident	78	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-74.4	-44	-179.8	-54	0	0	0	0	109.6	S976 C978 Y979 F984 L985 L1150 C1152	S976-C981 VanDerWaalsContact CB-CB 3.48Å; C978-C981 HydrophobicContact CB-CB 4.2Å; C978-C981 WeakPolarHBondContact CB-SG 3.37Å; C978-C981 WeakPolarHBondContact O-CA 3.37Å; C978-C981 WeakPolarHBondContact O-CB 3.2Å; C978-C981 PolarHBondContact O-N 2.9Å; C978-C981 WeakPolarHBondContact SG-CB 3.43Å; C978-C981 PolarHBondContact SG-N 2.87Å; C978-C981 CovalentContact SG-SG 2.05Å; C978-C981 PolarHBondContact SG-SG 2.95Å; Y979-C981 PolarHBondContact O-N 3.09Å; C981-F984 PolarHBondContact O-N 3.2Å; C981-L985 WeakPolarHBondContact O-CB 3.3Å; C981-L985 WeakPolarHBondContact O-CD1 3.4Å; C981-L985 VanDerWaalsContact O-CG 3.27Å; C981-L985 WeakPolarHBondContact O-CG 3.21Å; C981-L985 PolarHBondContact O-N 3.32Å; C981-L1150 HydrophobicContact CB-CD2 4.38Å; C981-C1152 PolarHBondContact SG-SG 2.79Å
982	R	79.9	Confident	78.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-55.7	175.4	-64.6	-179.3	178.5	-118.6	-13.6	111.5	Y964 Y973 L974 S976 C978 Y979 F984 L985 A986 H1000 L1011	Y964-R982 VanDerWaalsContact CE2-NH2 3.32Å; Y973-R982 WeakPolarHBondContact CB-O 3.43Å; Y973-R982 VanDerWaalsContact O-CB 3.26Å; Y973-R982 WeakPolarHBondContact O-CB 3.43Å; Y973-R982 VanDerWaalsContact O-CG 3.3Å; Y973-R982 WeakPolarHBondContact O-CG 3.36Å; L974-R982 PolarHBondContact O-NH1 3.48Å; L974-R982 PolarHBondContact O-NH2 3.37Å; S976-R982 PolarHBondContact O-NE 3.24Å; S976-R982 PolarHBondContact O-NH2 3.32Å; C978-R982 PolarHBondContact O-N 3.16Å; C978-R982 VanDerWaalsContact O-N 3.09Å; Y979-R982 WeakPolarHBondContact O-CB 3.44Å; Y979-R982 PolarHBondContact O-N 3.03Å; Y979-R982 VanDerWaalsContact O-N 3.16Å; R982-F984 PolarHBondContact O-N 3.01Å; R982-L985 PolarHBondContact O-N 2.88Å; R982-A986 WeakPolarHBondContact O-CB 3.42Å; R982-A986 PolarHBondContact O-N 2.8Å; R982-H1000 PolarHBondContact NH1-NE2 2.93Å; R982-L1011 HydrophobicContact CB-CD1 4.09Å
983	E	82.2	Confident	79.1	Confident	25 Å²	25	39.6 Å²	39.6	12%	0.117	20%	0.204	C	C	.	.	H	α-helix	trans	-55.8	-49.3	176.8	171.6	178.9	-161	0	0	111.8	Y979 L985 A986 N987 L1011 R1014 F1015	Y979-E983 PolarHBondContact O-N 3.42Å; E983-L985 PolarHBondContact O-N 3.37Å; E983-A986 PolarHBondContact O-N 3.09Å; E983-N987 WeakPolarHBondContact CG-ND2 3.34Å; E983-N987 WeakPolarHBondContact O-CB 3.37Å; E983-N987 PolarHBondContact O-N 3.35Å; E983-N987 PolarHBondContact O-ND2 3.2Å; E983-L1011 HydrophobicContact CB-CD2 3.94Å; E983-R1014 VanDerWaalsContact CD-NH2 3.35Å; E983-R1014 IonicContact OE1-CZ 2.78Å; E983-R1014 IonicContact OE1-NE 3.52Å; E983-R1014 PolarHBondContact OE1-NE 2.74Å; E983-R1014 IonicContact OE1-NH2 3.2Å; E983-R1014 PolarHBondContact OE1-NH2 3.42Å; E983-R1014 IonicContact OE2-CZ 3.51Å; E983-R1014 IonicContact OE2-NE 2.89Å; E983-R1014 PolarHBondContact OE2-NE 3.27Å; E983-R1014 IonicContact OE2-NH2 3.84Å; E983-R1014 PolarHBondContact OE2-NH2 3.5Å; E983-F1015 HydrophobicContact CG-CZ 4.09Å
984	F	79	Confident	79.2	Confident	59 Å²	59	42.4 Å²	42.4	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-44.5	-177	-177.6	-89.6	0	0	0	111.7	H980 C981 R982 N987 E988 L1150 P1151	H980-F984 WeakPolarHBondContact O-CB 3.47Å; H980-F984 PolarHBondContact O-N 3.32Å; H980-F984 VanDerWaalsContact O-N 3.1Å; C981-F984 PolarHBondContact O-N 3.2Å; R982-F984 PolarHBondContact O-N 3.01Å; F984-N987 PolarHBondContact O-N 3.45Å; F984-E988 HydrophobicContact CD1-CG 3.95Å; F984-E988 HydrophobicContact CE1-CG 3.64Å; F984-E988 HydrophobicContact CZ-CG 4.15Å; F984-E988 VanDerWaalsContact O-CG 3.26Å; F984-E988 WeakPolarHBondContact O-CG 3.38Å; F984-E988 PolarHBondContact O-N 2.94Å; F984-L1150 HydrophobicContact CD1-CD2 3.83Å; F984-L1150 HydrophobicContact CE1-CD2 4.47Å; F984-P1151 HydrophobicContact CB-CG 4.14Å; F984-P1151 HydrophobicContact CG-CG 4.46Å
985	L	81.4	Confident	79.4	Confident	11 Å²	11	46.2 Å²	46.2	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-71.5	-28.9	179.4	-71	166.7	0	0	0	113.1	A972 S976 C981 R982 E983 A989 L1150 F1170	A972-L985 HydrophobicContact CB-CD1 3.79Å; S976-L985 WeakPolarHBondContact OG-CD1 3.42Å; C981-L985 WeakPolarHBondContact O-CB 3.3Å; C981-L985 WeakPolarHBondContact O-CD1 3.4Å; C981-L985 VanDerWaalsContact O-CG 3.27Å; C981-L985 WeakPolarHBondContact O-CG 3.21Å; C981-L985 PolarHBondContact O-N 3.32Å; R982-L985 PolarHBondContact O-N 2.88Å; E983-L985 PolarHBondContact O-N 3.37Å; L985-A989 VanDerWaalsContact O-CB 3.27Å; L985-A989 WeakPolarHBondContact O-CB 3.4Å; L985-A989 PolarHBondContact O-N 3.44Å; L985-L1150 HydrophobicContact CD1-CD2 3.93Å; L985-L1150 HydrophobicContact CD2-CD2 4.05Å; L985-L1150 HydrophobicContact CG-CD2 3.75Å; L985-F1170 HydrophobicContact CD2-CE2 4.4Å
986	A	85.4	Confident	80.1	Confident	3 Å²	3	45 Å²	45	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-45.9	172.1	0	0	0	0	0	111.2	Y973 R982 E983 E988 A989 K990 I991 L996	Y973-A986 HydrophobicContact CG-CB 4.42Å; R982-A986 WeakPolarHBondContact O-CB 3.42Å; R982-A986 PolarHBondContact O-N 2.8Å; E983-A986 PolarHBondContact O-N 3.09Å; A986-E988 PolarHBondContact O-N 3.31Å; A986-A989 CarbonylContact O-C 3.59Å; A986-A989 WeakPolarHBondContact O-CA 3.35Å; A986-A989 PolarHBondContact O-N 2.78Å; A986-A989 VanDerWaalsContact O-N 3.12Å; A986-K990 PolarHBondContact O-N 3.28Å; A986-I991 HydrophobicContact CB-CB 4.31Å; A986-I991 PolarHBondContact O-N 3.16Å; A986-L996 HydrophobicContact CB-CD1 3.61Å; A986-L996 HydrophobicContact CB-CD2 3.41Å; A986-L996 VanDerWaalsContact CB-CD2 3.41Å; A986-L996 HydrophobicContact CB-CG 4.03Å
987	N	85	Confident	80.9	Confident	94 Å²	94	45.8 Å²	45.8	50%	0.503	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-42.3	174.5	-78	-66.7	0	0	0	112	E983 F984 A989 K990	E983-N987 WeakPolarHBondContact CG-ND2 3.34Å; E983-N987 WeakPolarHBondContact O-CB 3.37Å; E983-N987 PolarHBondContact O-N 3.35Å; E983-N987 PolarHBondContact O-ND2 3.2Å; F984-N987 PolarHBondContact O-N 3.45Å; N987-A989 VanDerWaalsContact C-N 3.3Å; N987-A989 PolarHBondContact O-N 2.79Å; N987-K990 PolarHBondContact O-N 3.4Å
988	E	83.9	Confident	82.3	Confident	92 Å²	92	48.8 Å²	48.8	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-40.6	171.6	-72.2	-109.4	102.7	0	0	112.1	F984 A986 K990 S1148	F984-E988 HydrophobicContact CD1-CG 3.95Å; F984-E988 HydrophobicContact CE1-CG 3.64Å; F984-E988 HydrophobicContact CZ-CG 4.15Å; F984-E988 VanDerWaalsContact O-CG 3.26Å; F984-E988 WeakPolarHBondContact O-CG 3.38Å; F984-E988 PolarHBondContact O-N 2.94Å; A986-E988 PolarHBondContact O-N 3.31Å; E988-K990 PolarHBondContact O-N 3.46Å; E988-S1148 WeakPolarHBondContact OE1-CB 3.2Å; E988-S1148 PolarHBondContact OE1-OG 3.02Å; E988-S1148 WeakPolarHBondContact OE2-CB 3.45Å; E988-S1148 PolarHBondContact OE2-OG 3.02Å
989	A	83.8	Confident	83.6	Confident	51 Å²	51	49.7 Å²	49.7	42%	0.421	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.7	176.4	0	0	0	0	0	114.1	Y973 L985 A986 N987 I991	Y973-A989 HydrophobicContact CD1-CB 3.99Å; Y973-A989 HydrophobicContact CE1-CB 3.78Å; L985-A989 VanDerWaalsContact O-CB 3.27Å; L985-A989 WeakPolarHBondContact O-CB 3.4Å; L985-A989 PolarHBondContact O-N 3.44Å; A986-A989 CarbonylContact O-C 3.59Å; A986-A989 WeakPolarHBondContact O-CA 3.35Å; A986-A989 PolarHBondContact O-N 2.78Å; A986-A989 VanDerWaalsContact O-N 3.12Å; N987-A989 VanDerWaalsContact C-N 3.3Å; N987-A989 PolarHBondContact O-N 2.79Å; A989-I991 VanDerWaalsContact C-N 3.26Å; A989-I991 HydrophobicContact CB-CD1 3.67Å; A989-I991 HydrophobicContact CB-CG1 3.91Å; A989-I991 PolarHBondContact O-N 2.82Å
990	K	88.5	Confident	84.5	Confident	181 Å²	181	48.4 Å²	48.4	79%	0.787	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	32.3	-173.7	-53.6	-179.7	-178.6	177.1	0	114.2	A986 N987 E988	A986-K990 PolarHBondContact O-N 3.28Å; N987-K990 PolarHBondContact O-N 3.4Å; E988-K990 PolarHBondContact O-N 3.46Å
991	I	86.5	Confident	85.3	Confident	20 Å²	20	50.7 Å²	50.7	10%	0.103	26%	0.263	C	S	.	.			trans	-90.8	120.4	177.1	-65.5	172.1	0	0	0	107.3	Y973 A986 A989 I995 L996 L999	Y973-I991 HydrophobicContact CD1-CD1 3.97Å; Y973-I991 HydrophobicContact CD2-CD1 4.23Å; Y973-I991 HydrophobicContact CE1-CD1 3.27Å; Y973-I991 HydrophobicContact CE2-CD1 3.59Å; Y973-I991 HydrophobicContact CG-CD1 4.41Å; Y973-I991 WeakPolarHBondContact OH-CD1 3.42Å; A986-I991 HydrophobicContact CB-CB 4.31Å; A986-I991 PolarHBondContact O-N 3.16Å; A989-I991 VanDerWaalsContact C-N 3.26Å; A989-I991 HydrophobicContact CB-CD1 3.67Å; A989-I991 HydrophobicContact CB-CG1 3.91Å; A989-I991 PolarHBondContact O-N 2.82Å; I991-I995 HydrophobicContact CG2-CB 3.83Å; I991-I995 HydrophobicContact CG2-CG2 3.85Å; I991-L996 HydrophobicContact CG2-CB 3.82Å; I991-L996 HydrophobicContact CG2-CD1 4.09Å; I991-L999 HydrophobicContact CD1-CD1 3.89Å; I991-L999 HydrophobicContact CG2-CD1 4.09Å
992	T	89.3	Confident	86	Confident	61 Å²	61	57.3 Å²	57.3	37%	0.374	29%	0.293	S	S	.	.			trans	-72.6	159.5	176.7	71.5	0	0	0	0	110	E994 I995 L996	T992-E994 WeakPolarHBondContact CB-OE2 3.24Å; T992-E994 PolarHBondContact O-N 2.85Å; T992-E994 PolarHBondContact OG1-OE2 3.29Å; T992-I995 HydrophobicContact CG2-CD1 4.4Å; T992-I995 PolarHBondContact O-N 2.94Å; T992-I995 VanDerWaalsContact O-N 3.09Å; T992-I995 WeakPolarHBondContact OG1-CG1 3.22Å; T992-L996 PolarHBondContact O-N 2.74Å
993	P	87.1	Confident	86.1	Confident	31 Å²	31	60.5 Å²	60.5	20%	0.201	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-33.9	-179.1	-29.1	38.4	0	0	0	114.3	L996 L997 F1015 I1017	P993-L996 PolarHBondContact O-N 3.22Å; P993-L997 PolarHBondContact O-N 3.45Å; P993-F1015 HydrophobicContact CB-CB 4.02Å; P993-F1015 HydrophobicContact CB-CD1 3.95Å; P993-F1015 HydrophobicContact CB-CD2 3.84Å; P993-F1015 HydrophobicContact CB-CE1 4.35Å; P993-F1015 HydrophobicContact CB-CE2 4.24Å; P993-F1015 HydrophobicContact CB-CG 3.68Å; P993-F1015 HydrophobicContact CB-CZ 4.48Å; P993-F1015 HydrophobicContact CG-CD1 3.63Å; P993-F1015 HydrophobicContact CG-CD2 4.28Å; P993-F1015 HydrophobicContact CG-CE1 3.74Å; P993-F1015 HydrophobicContact CG-CE2 4.36Å; P993-F1015 HydrophobicContact CG-CG 3.92Å; P993-F1015 HydrophobicContact CG-CZ 4.11Å; P993-I1017 HydrophobicContact CB-CD1 3.76Å
994	E	88.1	Confident	86.1	Confident	96 Å²	96	65.9 Å²	65.9	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-49.4	175.7	-49.1	75.7	-169.6	0	0	110.8	T992 L996 L997 D998 I1017	T992-E994 WeakPolarHBondContact CB-OE2 3.24Å; T992-E994 PolarHBondContact O-N 2.85Å; T992-E994 PolarHBondContact OG1-OE2 3.29Å; E994-L996 PolarHBondContact O-N 3.07Å; E994-L997 WeakPolarHBondContact O-CB 3.49Å; E994-L997 PolarHBondContact O-N 3.45Å; E994-D998 PolarHBondContact O-N 3.2Å; E994-I1017 HydrophobicContact CG-CD1 3.96Å
995	I	89.9	Confident	86.1	Confident	80 Å²	80	63.5 Å²	63.5	41%	0.41	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-29.6	177	-55.4	169.3	0	0	0	110.4	I991 T992 L999	I991-I995 HydrophobicContact CG2-CB 3.83Å; I991-I995 HydrophobicContact CG2-CG2 3.85Å; T992-I995 HydrophobicContact CG2-CD1 4.4Å; T992-I995 PolarHBondContact O-N 2.94Å; T992-I995 VanDerWaalsContact O-N 3.09Å; T992-I995 WeakPolarHBondContact OG1-CG1 3.22Å; I995-L999 HydrophobicContact CG2-CD1 3.97Å; I995-L999 HydrophobicContact CG2-CG 4.41Å; I995-L999 WeakPolarHBondContact O-CB 3.34Å; I995-L999 WeakPolarHBondContact O-CD1 3.33Å; I995-L999 WeakPolarHBondContact O-CG 3.47Å; I995-L999 PolarHBondContact O-N 2.91Å
996	L	91	Very high	85.8	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-71.7	-36.7	175.6	-165.5	62.8	0	0	0	111.8	Y973 L974 A986 I991 T992 P993 E994 H1000 W1007 L1011	Y973-L996 HydrophobicContact CD2-CD1 3.47Å; Y973-L996 VanDerWaalsContact CD2-CD1 3.47Å; Y973-L996 HydrophobicContact CE2-CD1 4.15Å; Y973-L996 HydrophobicContact CG-CD1 4.13Å; L974-L996 HydrophobicContact CD2-CD1 4.05Å; A986-L996 HydrophobicContact CB-CD1 3.61Å; A986-L996 HydrophobicContact CB-CD2 3.41Å; A986-L996 VanDerWaalsContact CB-CD2 3.41Å; A986-L996 HydrophobicContact CB-CG 4.03Å; I991-L996 HydrophobicContact CG2-CB 3.82Å; I991-L996 HydrophobicContact CG2-CD1 4.09Å; T992-L996 PolarHBondContact O-N 2.74Å; P993-L996 PolarHBondContact O-N 3.22Å; E994-L996 PolarHBondContact O-N 3.07Å; L996-H1000 PolarHBondContact O-N 2.93Å; L996-H1000 PolarHBondContact O-ND1 3.32Å; L996-W1007 HydrophobicContact CB-CH2 4.07Å; L996-W1007 HydrophobicContact CB-CZ3 4.2Å; L996-W1007 HydrophobicContact CD2-CH2 3.81Å; L996-W1007 HydrophobicContact CD2-CZ3 3.68Å; L996-W1007 HydrophobicContact CG-CH2 3.98Å; L996-W1007 HydrophobicContact CG-CZ3 3.67Å; L996-L1011 HydrophobicContact CD2-CD1 4.42Å
997	L	88.8	Confident	85.6	Confident	26 Å²	26	66.9 Å²	66.9	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-50.5	168.9	174.8	65	0	0	0	110.4	P993 E994 L999 H1000 L1001 W1007 I1017	P993-L997 PolarHBondContact O-N 3.45Å; E994-L997 WeakPolarHBondContact O-CB 3.49Å; E994-L997 PolarHBondContact O-N 3.45Å; L997-L999 PolarHBondContact O-N 2.91Å; L997-H1000 PolarHBondContact O-N 2.6Å; L997-L1001 HydrophobicContact CD1-CD1 4.09Å; L997-L1001 HydrophobicContact CD1-CG 4.05Å; L997-L1001 HydrophobicContact CD2-CD1 4.44Å; L997-L1001 HydrophobicContact CG-CD1 3.89Å; L997-L1001 HydrophobicContact CG-CG 4.27Å; L997-L1001 WeakPolarHBondContact O-CG 3.39Å; L997-L1001 PolarHBondContact O-N 3Å; L997-W1007 HydrophobicContact CB-CZ2 4.43Å; L997-W1007 HydrophobicContact CD1-CB 4.26Å; L997-W1007 HydrophobicContact CD1-CD2 4.17Å; L997-W1007 HydrophobicContact CD1-CG 3.86Å; L997-I1017 HydrophobicContact CB-CG2 3.95Å; L997-I1017 HydrophobicContact CD2-CG2 3.56Å; L997-I1017 HydrophobicContact CG-CG2 4.34Å
998	D	88	Confident	85.2	Confident	96 Å²	96	62.5 Å²	62.5	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-52.8	-40.5	177	-75.9	-20.9	0	0	0	111.6	E994 L1001 Q1002	E994-D998 PolarHBondContact O-N 3.2Å; D998-L1001 PolarHBondContact O-N 3.27Å; D998-Q1002 WeakPolarHBondContact O-CB 3.42Å; D998-Q1002 PolarHBondContact O-N 3.18Å
999	L	89.9	Confident	84.6	Confident	28 Å²	28	58.2 Å²	58.2	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-74.4	-29.7	177.6	-72.4	166.2	0	0	0	113.6	Y973 L974 I991 I995 L997 H1003	Y973-L999 HydrophobicContact CE2-CD1 3.87Å; L974-L999 HydrophobicContact CD1-CB 4.2Å; L974-L999 HydrophobicContact CD2-CB 3.93Å; I991-L999 HydrophobicContact CD1-CD1 3.89Å; I991-L999 HydrophobicContact CG2-CD1 4.09Å; I995-L999 HydrophobicContact CG2-CD1 3.97Å; I995-L999 HydrophobicContact CG2-CG 4.41Å; I995-L999 WeakPolarHBondContact O-CB 3.34Å; I995-L999 WeakPolarHBondContact O-CD1 3.33Å; I995-L999 WeakPolarHBondContact O-CG 3.47Å; I995-L999 PolarHBondContact O-N 2.91Å; L997-L999 PolarHBondContact O-N 2.91Å; L999-H1003 PolarHBondContact O-CD2 2.9Å; L999-H1003 VanDerWaalsContact O-CD2 3.28Å; L999-H1003 PolarHBondContact O-N 3.14Å
1000	H	88	Confident	84.1	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-68.4	-45	169.6	-81.5	78.7	0	0	0	110.6	L974 R982 L996 L997 H1003 N1004 I1005 P1006 W1007	L974-H1000 VanDerWaalsContact CD2-CE1 3.45Å; L974-H1000 WeakPolarHBondContact CD2-CE1 3.25Å; L974-H1000 WeakPolarHBondContact CD2-ND1 3.42Å; R982-H1000 PolarHBondContact NH1-NE2 2.93Å; L996-H1000 PolarHBondContact O-N 2.93Å; L996-H1000 PolarHBondContact O-ND1 3.32Å; L997-H1000 PolarHBondContact O-N 2.6Å; H1000-H1003 PolarHBondContact O-N 3.5Å; H1000-N1004 PolarHBondContact O-N 2.91Å; H1000-I1005 WeakPolarHBondContact CB-O 3.4Å; H1000-I1005 PolarHBondContact O-N 2.94Å; H1000-P1006 PolarHBondContact CD2-O 3.04Å; H1000-W1007 HydrophobicContact CB-CE3 4.35Å; H1000-W1007 AromaticContact CD2-CE3 3.95Å; H1000-W1007 AromaticContact CE1-CE3 3.61Å; H1000-W1007 AromaticContact CE1-CZ3 3.63Å; H1000-W1007 AromaticContact CG-CE3 3.7Å; H1000-W1007 AromaticContact ND1-CE3 3.47Å; H1000-W1007 AromaticContact ND1-CZ3 3.61Å; H1000-W1007 AromaticContact NE2-CE3 3.91Å
1001	L	84.4	Confident	83.7	Confident	108 Å²	108	48.9 Å²	48.9	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-63	-48.9	176.4	-65.8	173.5	0	0	0	112	L997 D998 H1003 N1004	L997-L1001 HydrophobicContact CD1-CD1 4.09Å; L997-L1001 HydrophobicContact CD1-CG 4.05Å; L997-L1001 HydrophobicContact CD2-CD1 4.44Å; L997-L1001 HydrophobicContact CG-CD1 3.89Å; L997-L1001 HydrophobicContact CG-CG 4.27Å; L997-L1001 WeakPolarHBondContact O-CG 3.39Å; L997-L1001 PolarHBondContact O-N 3Å; D998-L1001 PolarHBondContact O-N 3.27Å; L1001-H1003 PolarHBondContact O-N 3.01Å; L1001-H1003 VanDerWaalsContact O-N 3.11Å; L1001-N1004 PolarHBondContact O-N 3.36Å; L1001-N1004 VanDerWaalsContact O-N 3.13Å
1002	Q	86.4	Confident	83.4	Confident	139 Å²	139	48.5 Å²	48.5	65%	0.65	25%	0.252	S	S	*	.	H	α-helix	trans	-57.7	-28.4	-179.1	-179.7	175	12	0	0	113.3	D998	D998-Q1002 WeakPolarHBondContact O-CB 3.42Å; D998-Q1002 PolarHBondContact O-N 3.18Å
1003	H	82.5	Confident	82.7	Confident	66 Å²	66	47.3 Å²	47.3	31%	0.306	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	6.1	-177.9	-70.6	-68.7	0	0	0	114.2	L970 L974 L999 H1000 L1001 I1005	L970-H1003 HydrophobicContact CD2-CB 3.96Å; L970-H1003 VanDerWaalsContact CD2-ND1 3.29Å; L970-H1003 WeakPolarHBondContact CD2-ND1 3.47Å; L974-H1003 HydrophobicContact CD1-CB 4.47Å; L999-H1003 PolarHBondContact O-CD2 2.9Å; L999-H1003 VanDerWaalsContact O-CD2 3.28Å; L999-H1003 PolarHBondContact O-N 3.14Å; H1000-H1003 PolarHBondContact O-N 3.5Å; L1001-H1003 PolarHBondContact O-N 3.01Å; L1001-H1003 VanDerWaalsContact O-N 3.11Å; H1003-I1005 HydrophobicContact CB-CD1 3.54Å; H1003-I1005 HydrophobicContact CB-CG1 3.83Å
1004	N	80.3	Confident	82.2	Confident	139 Å²	139	52.2 Å²	52.2	74%	0.743	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	49.2	-174.7	-59.2	-38.3	0	0	0	113.2	H1000 L1001	H1000-N1004 PolarHBondContact O-N 2.91Å; L1001-N1004 PolarHBondContact O-N 3.36Å; L1001-N1004 VanDerWaalsContact O-N 3.13Å
1005	I	80.1	Confident	82	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.041	25%	0.252	C	S	.	.			trans	-112.9	127.4	-178	-56	170.4	0	0	0	108.7	Y964 L970 L974 H1000 H1003 W1007	Y964-I1005 HydrophobicContact CD1-CG2 4.3Å; Y964-I1005 HydrophobicContact CD2-CG2 3.8Å; Y964-I1005 HydrophobicContact CE2-CG2 4.11Å; Y964-I1005 HydrophobicContact CG-CG1 4.47Å; Y964-I1005 HydrophobicContact CG-CG2 3.94Å; L970-I1005 HydrophobicContact CD1-CD1 3.59Å; L970-I1005 HydrophobicContact CD1-CG1 4.44Å; L970-I1005 HydrophobicContact CD2-CD1 4.45Å; L974-I1005 HydrophobicContact CB-CD1 3.6Å; L974-I1005 HydrophobicContact CD1-CD1 3.89Å; L974-I1005 HydrophobicContact CG-CD1 4.28Å; H1000-I1005 WeakPolarHBondContact CB-O 3.4Å; H1000-I1005 PolarHBondContact O-N 2.94Å; H1003-I1005 HydrophobicContact CB-CD1 3.54Å; H1003-I1005 HydrophobicContact CB-CG1 3.83Å; I1005-W1007 PolarHBondContact O-N 3.23Å; I1005-W1007 VanDerWaalsContact O-N 3.17Å
1006	P	74.2	Confident	81.4	Confident	61 Å²	61	47.5 Å²	47.5	40%	0.396	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-53	122	176.2	-27.7	35.7	0	0	0	112.3	Y964 H1000 P1008	Y964-P1006 VanDerWaalsContact CE1-CD 3.4Å; Y964-P1006 HydrophobicContact CE1-CG 3.87Å; H1000-P1006 PolarHBondContact CD2-O 3.04Å; P1006-P1008 WeakPolarHBondContact O-CD 3.29Å
1007	W	82.3	Confident	80.7	Confident	25 Å²	25	48.7 Å²	48.7	10%	0.095	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-70.8	119.2	170.3	-176	-132.9	0	0	0	108.3	L996 L997 H1000 I1005 G1009 L1011 F1015 I1017	L996-W1007 HydrophobicContact CB-CH2 4.07Å; L996-W1007 HydrophobicContact CB-CZ3 4.2Å; L996-W1007 HydrophobicContact CD2-CH2 3.81Å; L996-W1007 HydrophobicContact CD2-CZ3 3.68Å; L996-W1007 HydrophobicContact CG-CH2 3.98Å; L996-W1007 HydrophobicContact CG-CZ3 3.67Å; L997-W1007 HydrophobicContact CB-CZ2 4.43Å; L997-W1007 HydrophobicContact CD1-CB 4.26Å; L997-W1007 HydrophobicContact CD1-CD2 4.17Å; L997-W1007 HydrophobicContact CD1-CG 3.86Å; H1000-W1007 HydrophobicContact CB-CE3 4.35Å; H1000-W1007 AromaticContact CD2-CE3 3.95Å; H1000-W1007 AromaticContact CE1-CE3 3.61Å; H1000-W1007 AromaticContact CE1-CZ3 3.63Å; H1000-W1007 AromaticContact CG-CE3 3.7Å; H1000-W1007 AromaticContact ND1-CE3 3.47Å; H1000-W1007 AromaticContact ND1-CZ3 3.61Å; H1000-W1007 AromaticContact NE2-CE3 3.91Å; I1005-W1007 PolarHBondContact O-N 3.23Å; I1005-W1007 VanDerWaalsContact O-N 3.17Å; W1007-G1009 PolarHBondContact O-N 2.68Å; W1007-L1011 HydrophobicContact CD2-CB 4.31Å; W1007-L1011 HydrophobicContact CE3-CB 4.27Å; W1007-L1011 HydrophobicContact CE3-CD1 4.16Å; W1007-L1011 HydrophobicContact CH2-CB 3.82Å; W1007-L1011 HydrophobicContact CH2-CD1 4Å; W1007-L1011 HydrophobicContact CZ2-CB 3.84Å; W1007-L1011 HydrophobicContact CZ3-CB 4Å; W1007-L1011 HydrophobicContact CZ3-CD1 3.59Å; W1007-L1011 HydrophobicContact CZ3-CG 4.45Å; W1007-F1015 HydrophobicContact CH2-CD2 4.03Å; W1007-F1015 HydrophobicContact CH2-CE2 4.17Å; W1007-F1015 AromaticContact CZ2-CD2 3.89Å; W1007-F1015 HydrophobicContact CZ2-CD2 3.89Å; W1007-F1015 HydrophobicContact CZ2-CE2 4.47Å; W1007-I1017 PolarHBondContact NE1-O 3.32Å
1008	P	75.7	Confident	79.5	Confident	2 Å²	2	50 Å²	50	1%	0.013	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-63.9	136.2	-174.9	-19.1	29.8	0	0	0	111.4	P1006 F1010 L1011 Q1012	P1006-P1008 WeakPolarHBondContact O-CD 3.29Å; P1008-F1010 PolarHBondContact O-N 2.84Å; P1008-F1010 VanDerWaalsContact O-N 3.15Å; P1008-L1011 HydrophobicContact CB-CG 4.21Å; P1008-L1011 HydrophobicContact CG-CD1 3.99Å; P1008-L1011 HydrophobicContact CG-CG 4.2Å; P1008-L1011 WeakPolarHBondContact O-CA 3.39Å; P1008-L1011 PolarHBondContact O-N 3.02Å; P1008-Q1012 PolarHBondContact O-N 2.87Å; P1008-Q1012 VanDerWaalsContact O-N 3.11Å
1009	G	72.8	Confident	78.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-58.8	-34.2	-175.3	0	0	0	0	0	112.7	W1007 L1011 Q1012 A1013 D1031	W1007-G1009 PolarHBondContact O-N 2.68Å; G1009-L1011 PolarHBondContact O-N 3.48Å; G1009-Q1012 PolarHBondContact O-N 3.43Å; G1009-A1013 WeakPolarHBondContact O-CB 3.39Å; G1009-A1013 PolarHBondContact O-N 3Å; G1009-D1031 PolarHBondContact N-OD2 3.02Å
1010	F	72.4	Confident	77.6	Confident	36 Å²	36	54.8 Å²	54.8	16%	0.158	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-37.4	172	-179.3	-96.4	0	0	0	113.6	Y979 P1008 R1014 P1052	Y979-F1010 HydrophobicContact CD1-CB 4.1Å; Y979-F1010 HydrophobicContact CD1-CD1 4.41Å; Y979-F1010 HydrophobicContact CD1-CG 4.35Å; Y979-F1010 HydrophobicContact CD2-CB 4.23Å; Y979-F1010 AromaticContact CD2-CD1 3.05Å; Y979-F1010 HydrophobicContact CD2-CD1 3.05Å; Y979-F1010 AromaticContact CD2-CE1 3.37Å; Y979-F1010 HydrophobicContact CD2-CE1 3.37Å; Y979-F1010 AromaticContact CD2-CG 3.7Å; Y979-F1010 HydrophobicContact CD2-CG 3.7Å; Y979-F1010 HydrophobicContact CD2-CZ 4.25Å; Y979-F1010 HydrophobicContact CE1-CB 4.31Å; Y979-F1010 HydrophobicContact CE1-CG 4.33Å; Y979-F1010 HydrophobicContact CE2-CB 4.43Å; Y979-F1010 AromaticContact CE2-CD1 3.32Å; Y979-F1010 HydrophobicContact CE2-CD1 3.32Å; Y979-F1010 HydrophobicContact CE2-CD2 4.08Å; Y979-F1010 AromaticContact CE2-CE1 3.36Å; Y979-F1010 HydrophobicContact CE2-CE1 3.36Å; Y979-F1010 HydrophobicContact CE2-CE2 4.11Å; Y979-F1010 AromaticContact CE2-CG 3.67Å; Y979-F1010 HydrophobicContact CE2-CG 3.67Å; Y979-F1010 AromaticContact CE2-CZ 3.77Å; Y979-F1010 HydrophobicContact CE2-CZ 3.77Å; Y979-F1010 HydrophobicContact CG-CB 4.05Å; Y979-F1010 AromaticContact CG-CD1 3.68Å; Y979-F1010 HydrophobicContact CG-CD1 3.68Å; Y979-F1010 HydrophobicContact CG-CE1 4.41Å; Y979-F1010 HydrophobicContact CG-CG 4.05Å; Y979-F1010 AromaticContact CZ-CG 4Å; P1008-F1010 PolarHBondContact O-N 2.84Å; P1008-F1010 VanDerWaalsContact O-N 3.15Å; F1010-R1014 HydrophobicContact CE1-CB 4.45Å; F1010-R1014 VanDerWaalsContact CE1-CD 3.42Å; F1010-R1014 WeakPolarHBondContact O-CB 3.16Å; F1010-R1014 PolarHBondContact O-N 2.69Å; F1010-P1052 HydrophobicContact CB-CG 3.82Å; F1010-P1052 HydrophobicContact CD2-CG 3.59Å; F1010-P1052 HydrophobicContact CG-CG 4.09Å
1011	L	80.2	Confident	76.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-73	-37	177.6	-62.5	-171.2	0	0	0	110.8	R982 E983 L996 W1007 P1008 G1009 R1014 F1015	R982-L1011 HydrophobicContact CB-CD1 4.09Å; E983-L1011 HydrophobicContact CB-CD2 3.94Å; L996-L1011 HydrophobicContact CD2-CD1 4.42Å; W1007-L1011 HydrophobicContact CD2-CB 4.31Å; W1007-L1011 HydrophobicContact CE3-CB 4.27Å; W1007-L1011 HydrophobicContact CE3-CD1 4.16Å; W1007-L1011 HydrophobicContact CH2-CB 3.82Å; W1007-L1011 HydrophobicContact CH2-CD1 4Å; W1007-L1011 HydrophobicContact CZ2-CB 3.84Å; W1007-L1011 HydrophobicContact CZ3-CB 4Å; W1007-L1011 HydrophobicContact CZ3-CD1 3.59Å; W1007-L1011 HydrophobicContact CZ3-CG 4.45Å; P1008-L1011 HydrophobicContact CB-CG 4.21Å; P1008-L1011 HydrophobicContact CG-CD1 3.99Å; P1008-L1011 HydrophobicContact CG-CG 4.2Å; P1008-L1011 WeakPolarHBondContact O-CA 3.39Å; P1008-L1011 PolarHBondContact O-N 3.02Å; G1009-L1011 PolarHBondContact O-N 3.48Å; L1011-R1014 PolarHBondContact O-N 2.71Å; L1011-F1015 HydrophobicContact CB-CD2 4.13Å; L1011-F1015 HydrophobicContact CB-CE2 4.14Å; L1011-F1015 HydrophobicContact CD2-CE2 4Å; L1011-F1015 HydrophobicContact CG-CE2 4.49Å; L1011-F1015 WeakPolarHBondContact O-CB 3.14Å; L1011-F1015 WeakPolarHBondContact O-CD2 3.21Å; L1011-F1015 WeakPolarHBondContact O-CG 3.4Å; L1011-F1015 PolarHBondContact O-N 3.28Å
1012	Q	80.9	Confident	76.1	Confident	13 Å²	13	57.2 Å²	57.2	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-54	171.8	-176.6	163.4	-7.9	0	0	111.6	P1008 G1009 R1014 F1015 G1016 D1020 L1027	P1008-Q1012 PolarHBondContact O-N 2.87Å; P1008-Q1012 VanDerWaalsContact O-N 3.11Å; G1009-Q1012 PolarHBondContact O-N 3.43Å; Q1012-R1014 VanDerWaalsContact C-N 3.32Å; Q1012-R1014 PolarHBondContact O-N 2.86Å; Q1012-F1015 PolarHBondContact O-N 3.18Å; Q1012-G1016 WeakPolarHBondContact O-CA 3.27Å; Q1012-G1016 PolarHBondContact O-N 3.23Å; Q1012-D1020 PolarHBondContact NE2-OD1 2.73Å; Q1012-D1020 PolarHBondContact NE2-OD2 2.65Å; Q1012-L1027 HydrophobicContact CB-CD1 4.24Å; Q1012-L1027 HydrophobicContact CB-CD2 4.26Å; Q1012-L1027 VanDerWaalsContact CD-CD2 3.42Å; Q1012-L1027 HydrophobicContact CG-CD1 3.87Å; Q1012-L1027 HydrophobicContact CG-CD2 3.87Å
1013	A	74.3	Confident	75.4	Confident	35 Å²	35	52.7 Å²	52.7	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-39.4	179.5	0	0	0	0	0	112.6	G1009 T1024 L1027	G1009-A1013 WeakPolarHBondContact O-CB 3.39Å; G1009-A1013 PolarHBondContact O-N 3Å; A1013-T1024 HydrophobicContact CB-CG2 4.27Å; A1013-L1027 HydrophobicContact CB-CD1 3.75Å
1014	R	75.9	Confident	74.5	Confident	134 Å²	134	52.8 Å²	52.8	51%	0.506	30%	0.301	S	S	.	.	H	α-helix	trans	-72.8	-29.2	-178.4	177.8	174.6	176.2	98.1	-10.3	114.2	E983 F1010 L1011 Q1012	E983-R1014 VanDerWaalsContact CD-NH2 3.35Å; E983-R1014 IonicContact OE1-CZ 2.78Å; E983-R1014 IonicContact OE1-NE 3.52Å; E983-R1014 PolarHBondContact OE1-NE 2.74Å; E983-R1014 IonicContact OE1-NH2 3.2Å; E983-R1014 PolarHBondContact OE1-NH2 3.42Å; E983-R1014 IonicContact OE2-CZ 3.51Å; E983-R1014 IonicContact OE2-NE 2.89Å; E983-R1014 PolarHBondContact OE2-NE 3.27Å; E983-R1014 IonicContact OE2-NH2 3.84Å; E983-R1014 PolarHBondContact OE2-NH2 3.5Å; F1010-R1014 HydrophobicContact CE1-CB 4.45Å; F1010-R1014 VanDerWaalsContact CE1-CD 3.42Å; F1010-R1014 WeakPolarHBondContact O-CB 3.16Å; F1010-R1014 PolarHBondContact O-N 2.69Å; L1011-R1014 PolarHBondContact O-N 2.71Å; Q1012-R1014 VanDerWaalsContact C-N 3.32Å; Q1012-R1014 PolarHBondContact O-N 2.86Å
1015	F	83.4	Confident	73.9	Confident	54 Å²	54	50.4 Å²	50.4	24%	0.237	29%	0.285	C	S	.	.	H	α-helix	trans	-105.4	-15.6	-177.7	-63.2	-50.1	0	0	0	114	E983 P993 W1007 L1011 Q1012 I1017	E983-F1015 HydrophobicContact CG-CZ 4.09Å; P993-F1015 HydrophobicContact CB-CB 4.02Å; P993-F1015 HydrophobicContact CB-CD1 3.95Å; P993-F1015 HydrophobicContact CB-CD2 3.84Å; P993-F1015 HydrophobicContact CB-CE1 4.35Å; P993-F1015 HydrophobicContact CB-CE2 4.24Å; P993-F1015 HydrophobicContact CB-CG 3.68Å; P993-F1015 HydrophobicContact CB-CZ 4.48Å; P993-F1015 HydrophobicContact CG-CD1 3.63Å; P993-F1015 HydrophobicContact CG-CD2 4.28Å; P993-F1015 HydrophobicContact CG-CE1 3.74Å; P993-F1015 HydrophobicContact CG-CE2 4.36Å; P993-F1015 HydrophobicContact CG-CG 3.92Å; P993-F1015 HydrophobicContact CG-CZ 4.11Å; W1007-F1015 HydrophobicContact CH2-CD2 4.03Å; W1007-F1015 HydrophobicContact CH2-CE2 4.17Å; W1007-F1015 AromaticContact CZ2-CD2 3.89Å; W1007-F1015 HydrophobicContact CZ2-CD2 3.89Å; W1007-F1015 HydrophobicContact CZ2-CE2 4.47Å; L1011-F1015 HydrophobicContact CB-CD2 4.13Å; L1011-F1015 HydrophobicContact CB-CE2 4.14Å; L1011-F1015 HydrophobicContact CD2-CE2 4Å; L1011-F1015 HydrophobicContact CG-CE2 4.49Å; L1011-F1015 WeakPolarHBondContact O-CB 3.14Å; L1011-F1015 WeakPolarHBondContact O-CD2 3.21Å; L1011-F1015 WeakPolarHBondContact O-CG 3.4Å; L1011-F1015 PolarHBondContact O-N 3.28Å; Q1012-F1015 PolarHBondContact O-N 3.18Å; F1015-I1017 VanDerWaalsContact C-N 3.26Å; F1015-I1017 HydrophobicContact CB-CB 4.12Å; F1015-I1017 HydrophobicContact CB-CD1 4.27Å; F1015-I1017 HydrophobicContact CB-CG1 4.44Å
1016	G	79	Confident	73.4	Confident	23 Å²	23	54.5 Å²	54.5	24%	0.237	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	34.5	-171.1	0	0	0	0	0	111.9	Q1012 P1018 N1019	Q1012-G1016 WeakPolarHBondContact O-CA 3.27Å; Q1012-G1016 PolarHBondContact O-N 3.23Å; G1016-P1018 CarbonylContact O-C 3.42Å; G1016-N1019 PolarHBondContact O-N 3.44Å; G1016-N1019 PolarHBondContact O-ND2 3.06Å; G1016-N1019 PolarHBondContact O-OD1 3.27Å; G1016-N1019 VanDerWaalsContact O-OD1 3.1Å
1017	I	74.4	Confident	73.1	Confident	28 Å²	28	51.8 Å²	51.8	14%	0.144	29%	0.286	C	S	.	.			trans	-135.3	114.3	-170.6	-75.7	168	0	0	0	108.4	P993 E994 L997 W1007 F1015	P993-I1017 HydrophobicContact CB-CD1 3.76Å; E994-I1017 HydrophobicContact CG-CD1 3.96Å; L997-I1017 HydrophobicContact CB-CG2 3.95Å; L997-I1017 HydrophobicContact CD2-CG2 3.56Å; L997-I1017 HydrophobicContact CG-CG2 4.34Å; W1007-I1017 PolarHBondContact NE1-O 3.32Å; F1015-I1017 VanDerWaalsContact C-N 3.26Å; F1015-I1017 HydrophobicContact CB-CB 4.12Å; F1015-I1017 HydrophobicContact CB-CD1 4.27Å; F1015-I1017 HydrophobicContact CB-CG1 4.44Å
1018	P	63.6	Low	72.2	Confident	54 Å²	54	51.2 Å²	51.2	35%	0.351	29%	0.285	S	S	.	.	S	Bend	cis	-63.5	153.7	-11.8	30.1	-35.5	0	0	0	112.2	G1016 D1020	G1016-P1018 CarbonylContact O-C 3.42Å; P1018-D1020 VanDerWaalsContact C-N 3.29Å; P1018-D1020 PolarHBondContact O-N 2.63Å; P1018-D1020 VanDerWaalsContact O-N 3.14Å
1019	N	69.4	Low	71.6	Confident	151 Å²	151	53.8 Å²	53.8	81%	0.807	31%	0.306	S	S	*	.			trans	-81.1	79.2	165.1	-82.8	-56.7	0	0	0	108.4	G1016	G1016-N1019 PolarHBondContact O-N 3.44Å; G1016-N1019 PolarHBondContact O-ND2 3.06Å; G1016-N1019 PolarHBondContact O-OD1 3.27Å; G1016-N1019 VanDerWaalsContact O-OD1 3.1Å
1020	D	68.8	Low	71.2	Confident	72 Å²	72	58.3 Å²	58.3	39%	0.385	32%	0.324	S	S	.	.			trans	-97.3	3.8	176.3	61.6	-4.3	0	0	0	113.3	Q1012 P1018 R1022	Q1012-D1020 PolarHBondContact NE2-OD1 2.73Å; Q1012-D1020 PolarHBondContact NE2-OD2 2.65Å; P1018-D1020 VanDerWaalsContact C-N 3.29Å; P1018-D1020 PolarHBondContact O-N 2.63Å; P1018-D1020 VanDerWaalsContact O-N 3.14Å; D1020-R1022 VanDerWaalsContact C-N 3.33Å; D1020-R1022 PolarHBondContact O-N 2.79Å; D1020-R1022 IonicContact OD1-NE 2.65Å; D1020-R1022 IonicContact OD2-CZ 2.67Å; D1020-R1022 IonicContact OD2-NE 3.82Å; D1020-R1022 PolarHBondContact OD2-NE 3.08Å; D1020-R1022 IonicContact OD2-NH2 2.74Å; D1020-R1022 PolarHBondContact OD2-NH2 2.81Å
1021	G	70.9	Confident	70.7	Confident	78 Å²	78	57.4 Å²	57.4	80%	0.804	32%	0.321	S	S	*	.			trans	87.6	-11.6	173.1	0	0	0	0	0	115.5
1022	R	70.7	Confident	69.7	Low	82 Å²	82	57.9 Å²	57.9	31%	0.309	32%	0.323	S	S	.	.			trans	-65.4	141	-174.8	-68.2	-169.7	-75.5	162	-6.6	113.4	D1020 E1026 L1027	D1020-R1022 VanDerWaalsContact C-N 3.33Å; D1020-R1022 PolarHBondContact O-N 2.79Å; D1020-R1022 IonicContact OD1-NE 2.65Å; D1020-R1022 IonicContact OD2-CZ 2.67Å; D1020-R1022 IonicContact OD2-NE 3.82Å; D1020-R1022 PolarHBondContact OD2-NE 3.08Å; D1020-R1022 IonicContact OD2-NH2 2.74Å; D1020-R1022 PolarHBondContact OD2-NH2 2.81Å; R1022-E1026 WeakPolarHBondContact CA-OE2 3.3Å; R1022-E1026 HydrophobicContact CB-CB 4.25Å; R1022-E1026 WeakPolarHBondContact CB-OE2 3.49Å; R1022-E1026 VanDerWaalsContact CG-OE2 3.26Å; R1022-E1026 WeakPolarHBondContact CG-OE2 3.44Å; R1022-L1027 HydrophobicContact CB-CD2 4.2Å; R1022-L1027 HydrophobicContact CB-CG 4.14Å
1023	S	70.6	Confident	68.7	Low	44 Å²	44	68 Å²	68	31%	0.308	36%	0.361	S	S	.	.			trans	-68.5	166.3	177.8	70.7	0	0	0	0	113	E1025 E1026 L1027	S1023-E1025 VanDerWaalsContact C-N 3.31Å; S1023-E1025 PolarHBondContact O-N 3.45Å; S1023-E1026 WeakPolarHBondContact CB-OE1 3.48Å; S1023-E1026 VanDerWaalsContact N-CD 3.27Å; S1023-E1026 PolarHBondContact N-OE1 2.88Å; S1023-E1026 PolarHBondContact N-OE2 3.01Å; S1023-E1026 PolarHBondContact O-N 2.97Å; S1023-E1026 WeakPolarHBondContact OG-CG 3.35Å; S1023-E1026 PolarHBondContact OG-N 3.44Å; S1023-E1026 VanDerWaalsContact OG-N 3.08Å; S1023-E1026 PolarHBondContact OG-OE1 2.79Å; S1023-L1027 VanDerWaalsContact O-CG 3.27Å; S1023-L1027 WeakPolarHBondContact O-CG 3.21Å; S1023-L1027 PolarHBondContact O-N 2.85Å
1024	T	64.5	Low	67.8	Low	68 Å²	68	73.9 Å²	73.9	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-39.4	175.2	-65	0	0	0	0	110.8	A1013 L1027 I1028	A1013-T1024 HydrophobicContact CB-CG2 4.27Å; T1024-L1027 PolarHBondContact O-N 3.44Å; T1024-I1028 HydrophobicContact CG2-CD1 3.83Å; T1024-I1028 HydrophobicContact CG2-CG1 4.4Å; T1024-I1028 WeakPolarHBondContact O-CB 3.32Å; T1024-I1028 WeakPolarHBondContact O-CG1 3.31Å; T1024-I1028 PolarHBondContact O-N 3.1Å
1025	E	67.1	Low	66.7	Low	90 Å²	90	68.6 Å²	68.6	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-46.6	173.2	-82.2	57.5	-145.8	0	0	112.4	S1023 L1027 I1028 A1029 L1050	S1023-E1025 VanDerWaalsContact C-N 3.31Å; S1023-E1025 PolarHBondContact O-N 3.45Å; E1025-L1027 PolarHBondContact O-N 2.97Å; E1025-I1028 PolarHBondContact O-N 2.97Å; E1025-A1029 VanDerWaalsContact O-CB 3.31Å; E1025-A1029 WeakPolarHBondContact O-CB 3.34Å; E1025-A1029 PolarHBondContact O-N 2.85Å; E1025-L1050 HydrophobicContact CG-CD1 4.3Å
1026	E	71.2	Confident	65.1	Low	93 Å²	93	71.3 Å²	71.3	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-61.4	-42.3	173.9	-74	151.6	-112.1	0	0	112.4	R1022 S1023 I1028 A1029 Y1030	R1022-E1026 WeakPolarHBondContact CA-OE2 3.3Å; R1022-E1026 HydrophobicContact CB-CB 4.25Å; R1022-E1026 WeakPolarHBondContact CB-OE2 3.49Å; R1022-E1026 VanDerWaalsContact CG-OE2 3.26Å; R1022-E1026 WeakPolarHBondContact CG-OE2 3.44Å; S1023-E1026 WeakPolarHBondContact CB-OE1 3.48Å; S1023-E1026 VanDerWaalsContact N-CD 3.27Å; S1023-E1026 PolarHBondContact N-OE1 2.88Å; S1023-E1026 PolarHBondContact N-OE2 3.01Å; S1023-E1026 PolarHBondContact O-N 2.97Å; S1023-E1026 WeakPolarHBondContact OG-CG 3.35Å; S1023-E1026 PolarHBondContact OG-N 3.44Å; S1023-E1026 VanDerWaalsContact OG-N 3.08Å; S1023-E1026 PolarHBondContact OG-OE1 2.79Å; E1026-I1028 VanDerWaalsContact C-N 3.33Å; E1026-I1028 PolarHBondContact O-N 3.09Å; E1026-A1029 PolarHBondContact O-N 3.18Å; E1026-Y1030 VanDerWaalsContact O-CB 3.26Å; E1026-Y1030 WeakPolarHBondContact O-CB 3.35Å; E1026-Y1030 PolarHBondContact O-N 3.25Å
1027	L	67.7	Low	63.6	Low	5 Å²	5	71.7 Å²	71.7	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-69.1	-31.6	179.1	-67.9	170.1	0	0	0	112.2	Q1012 A1013 R1022 S1023 T1024 E1025 D1031	Q1012-L1027 HydrophobicContact CB-CD1 4.24Å; Q1012-L1027 HydrophobicContact CB-CD2 4.26Å; Q1012-L1027 VanDerWaalsContact CD-CD2 3.42Å; Q1012-L1027 HydrophobicContact CG-CD1 3.87Å; Q1012-L1027 HydrophobicContact CG-CD2 3.87Å; A1013-L1027 HydrophobicContact CB-CD1 3.75Å; R1022-L1027 HydrophobicContact CB-CD2 4.2Å; R1022-L1027 HydrophobicContact CB-CG 4.14Å; S1023-L1027 VanDerWaalsContact O-CG 3.27Å; S1023-L1027 WeakPolarHBondContact O-CG 3.21Å; S1023-L1027 PolarHBondContact O-N 2.85Å; T1024-L1027 PolarHBondContact O-N 3.44Å; E1025-L1027 PolarHBondContact O-N 2.97Å; L1027-D1031 PolarHBondContact O-N 3.32Å
1028	I	62.5	Low	62.2	Low	12 Å²	12	78.1 Å²	78.1	6%	0.062	41%	0.405	C	S	.	.	H	α-helix	trans	-69.9	-46.1	169.4	-67.3	165.3	0	0	0	110.3	T1024 E1025 E1026 Y1030 D1031 C1032 L1050 P1052	T1024-I1028 HydrophobicContact CG2-CD1 3.83Å; T1024-I1028 HydrophobicContact CG2-CG1 4.4Å; T1024-I1028 WeakPolarHBondContact O-CB 3.32Å; T1024-I1028 WeakPolarHBondContact O-CG1 3.31Å; T1024-I1028 PolarHBondContact O-N 3.1Å; E1025-I1028 PolarHBondContact O-N 2.97Å; E1026-I1028 VanDerWaalsContact C-N 3.33Å; E1026-I1028 PolarHBondContact O-N 3.09Å; I1028-Y1030 VanDerWaalsContact C-N 3.31Å; I1028-Y1030 PolarHBondContact O-N 3.31Å; I1028-D1031 PolarHBondContact O-N 3.35Å; I1028-C1032 VanDerWaalsContact O-CB 3.26Å; I1028-C1032 WeakPolarHBondContact O-CB 3.47Å; I1028-C1032 PolarHBondContact O-N 2.88Å; I1028-L1050 HydrophobicContact CD1-CB 4.49Å; I1028-L1050 WeakPolarHBondContact CD1-O 3.4Å; I1028-P1052 HydrophobicContact CD1-CG 4.48Å; I1028-P1052 HydrophobicContact CG1-CB 3.97Å; I1028-P1052 HydrophobicContact CG1-CG 4.11Å; I1028-P1052 HydrophobicContact CG2-CB 4.42Å
1029	A	64.1	Low	61.3	Low	56 Å²	56	78.6 Å²	78.6	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-40	178.8	0	0	0	0	0	111.6	E1025 E1026 C1032 R1033	E1025-A1029 VanDerWaalsContact O-CB 3.31Å; E1025-A1029 WeakPolarHBondContact O-CB 3.34Å; E1025-A1029 PolarHBondContact O-N 2.85Å; E1026-A1029 PolarHBondContact O-N 3.18Å; A1029-C1032 WeakPolarHBondContact O-CB 3.37Å; A1029-C1032 PolarHBondContact O-N 3.4Å; A1029-R1033 VanDerWaalsContact O-CB 3.31Å; A1029-R1033 WeakPolarHBondContact O-CB 3.32Å; A1029-R1033 PolarHBondContact O-N 2.92Å
1030	Y	64.3	Low	59.9	Low	97 Å²	97	72 Å²	72	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-54.6	173.2	-177	-85.2	0	0	0	111.7	E1026 I1028 C1032 R1033 W1034	E1026-Y1030 VanDerWaalsContact O-CB 3.26Å; E1026-Y1030 WeakPolarHBondContact O-CB 3.35Å; E1026-Y1030 PolarHBondContact O-N 3.25Å; I1028-Y1030 VanDerWaalsContact C-N 3.31Å; I1028-Y1030 PolarHBondContact O-N 3.31Å; Y1030-C1032 PolarHBondContact O-N 2.91Å; Y1030-R1033 PolarHBondContact O-N 3.04Å; Y1030-W1034 AromaticContact CD1-CD1 3.76Å; Y1030-W1034 AromaticContact CD2-CD1 3.73Å; Y1030-W1034 AromaticContact CD2-NE1 3.71Å; Y1030-W1034 AromaticContact CE1-CD1 3.57Å; Y1030-W1034 HydrophobicContact CE1-CG 4.29Å; Y1030-W1034 AromaticContact CE1-NE1 3.92Å; Y1030-W1034 AromaticContact CE2-CD1 3.57Å; Y1030-W1034 AromaticContact CE2-NE1 3.19Å; Y1030-W1034 AromaticContact CG-CD1 3.82Å; Y1030-W1034 AromaticContact CZ-CD1 3.47Å; Y1030-W1034 VanDerWaalsContact CZ-CD1 3.47Å; Y1030-W1034 AromaticContact CZ-NE1 3.3Å; Y1030-W1034 VanDerWaalsContact CZ-NE1 3.3Å; Y1030-W1034 WeakPolarHBondContact O-CB 3.28Å; Y1030-W1034 VanDerWaalsContact O-CD1 3.32Å; Y1030-W1034 PolarHBondContact O-N 3.43Å
1031	D	61.8	Low	58.6	Low	17 Å²	17	79.1 Å²	79.1	9%	0.091	40%	0.395	C	S	.	.	H	α-helix	trans	-64.4	-27.7	179.1	-146.5	-4.1	0	0	0	111.4	G1009 L1027 I1028 R1035	G1009-D1031 PolarHBondContact N-OD2 3.02Å; L1027-D1031 PolarHBondContact O-N 3.32Å; I1028-D1031 PolarHBondContact O-N 3.35Å; D1031-R1035 WeakPolarHBondContact O-CB 3.48Å; D1031-R1035 WeakPolarHBondContact O-CD 3.2Å; D1031-R1035 VanDerWaalsContact O-CG 3.22Å; D1031-R1035 WeakPolarHBondContact O-CG 3.47Å; D1031-R1035 PolarHBondContact O-N 3.45Å; D1031-R1035 VanDerWaalsContact OD1-CD 3.26Å; D1031-R1035 WeakPolarHBondContact OD1-CD 3.32Å; D1031-R1035 IonicContact OD1-CZ 3.02Å; D1031-R1035 IonicContact OD1-NE 2.84Å; D1031-R1035 PolarHBondContact OD1-NE 2.93Å
1032	C	59.7	Low	57	Low	9 Å²	9	80.2 Å²	80.2	6%	0.061	39%	0.39	C	S	.	.	H	α-helix	trans	-69.6	-51.6	170.2	-88.4	0	0	0	0	113.3	I1028 A1029 Y1030 R1035 S1036 R1037	I1028-C1032 VanDerWaalsContact O-CB 3.26Å; I1028-C1032 WeakPolarHBondContact O-CB 3.47Å; I1028-C1032 PolarHBondContact O-N 2.88Å; A1029-C1032 WeakPolarHBondContact O-CB 3.37Å; A1029-C1032 PolarHBondContact O-N 3.4Å; Y1030-C1032 PolarHBondContact O-N 2.91Å; C1032-R1035 PolarHBondContact O-N 3.03Å; C1032-S1036 PolarHBondContact O-N 3.36Å; C1032-S1036 VanDerWaalsContact O-N 3.13Å; C1032-R1037 WeakPolarHBondContact CA-O 3.43Å; C1032-R1037 WeakPolarHBondContact CB-O 3.49Å; C1032-R1037 PolarHBondContact O-N 3.46Å; C1032-R1037 PolarHBondContact SG-O 3.19Å
1033	R	59.6	Low	55.5	Low	225 Å²	225	79.7 Å²	79.7	85%	0.849	39%	0.393	S	S	*	.	H	α-helix	trans	-60.9	-48.8	-179.6	-165.5	175	-174.6	-178.6	1.2	110.1	A1029 Y1030 R1035 S1036	A1029-R1033 VanDerWaalsContact O-CB 3.31Å; A1029-R1033 WeakPolarHBondContact O-CB 3.32Å; A1029-R1033 PolarHBondContact O-N 2.92Å; Y1030-R1033 PolarHBondContact O-N 3.04Å; R1033-R1035 PolarHBondContact O-N 3.12Å; R1033-S1036 PolarHBondContact O-N 2.85Å
1034	W	54.4	Low	54.3	Low	159 Å²	159	82.7 Å²	82.7	60%	0.602	41%	0.409	S	S	*	.	H	α-helix	trans	-70	-26.5	-179.5	-80.3	97.5	0	0	0	114.9	Y1030	Y1030-W1034 AromaticContact CD1-CD1 3.76Å; Y1030-W1034 AromaticContact CD2-CD1 3.73Å; Y1030-W1034 AromaticContact CD2-NE1 3.71Å; Y1030-W1034 AromaticContact CE1-CD1 3.57Å; Y1030-W1034 HydrophobicContact CE1-CG 4.29Å; Y1030-W1034 AromaticContact CE1-NE1 3.92Å; Y1030-W1034 AromaticContact CE2-CD1 3.57Å; Y1030-W1034 AromaticContact CE2-NE1 3.19Å; Y1030-W1034 AromaticContact CG-CD1 3.82Å; Y1030-W1034 AromaticContact CZ-CD1 3.47Å; Y1030-W1034 VanDerWaalsContact CZ-CD1 3.47Å; Y1030-W1034 AromaticContact CZ-NE1 3.3Å; Y1030-W1034 VanDerWaalsContact CZ-NE1 3.3Å; Y1030-W1034 WeakPolarHBondContact O-CB 3.28Å; Y1030-W1034 VanDerWaalsContact O-CD1 3.32Å; Y1030-W1034 PolarHBondContact O-N 3.43Å
1035	R	53.2	Low	53.3	Low	24 Å²	24	80.9 Å²	80.9	9%	0.091	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.8	178.1	-63.7	178.9	174.7	-100.3	4.6	114.8	D960 D1031 C1032 R1033 R1037 E1056	D960-R1035 IonicContact OD1-NH1 2.75Å; D960-R1035 IonicContact OD2-CZ 3.22Å; D960-R1035 IonicContact OD2-NH1 3.21Å; D960-R1035 PolarHBondContact OD2-NH1 3.41Å; D1031-R1035 WeakPolarHBondContact O-CB 3.48Å; D1031-R1035 WeakPolarHBondContact O-CD 3.2Å; D1031-R1035 VanDerWaalsContact O-CG 3.22Å; D1031-R1035 WeakPolarHBondContact O-CG 3.47Å; D1031-R1035 PolarHBondContact O-N 3.45Å; D1031-R1035 VanDerWaalsContact OD1-CD 3.26Å; D1031-R1035 WeakPolarHBondContact OD1-CD 3.32Å; D1031-R1035 IonicContact OD1-CZ 3.02Å; D1031-R1035 IonicContact OD1-NE 2.84Å; D1031-R1035 PolarHBondContact OD1-NE 2.93Å; C1032-R1035 PolarHBondContact O-N 3.03Å; R1033-R1035 PolarHBondContact O-N 3.12Å; R1035-R1037 VanDerWaalsContact C-N 3.28Å; R1035-R1037 HydrophobicContact CB-CB 4.38Å; R1035-R1037 HydrophobicContact CB-CG 3.85Å; R1035-R1037 PolarHBondContact O-N 3.07Å; R1035-E1056 IonicContact CZ-OE1 3.79Å; R1035-E1056 IonicContact NH1-OE1 2.69Å; R1035-E1056 PolarHBondContact NH1-OE1 2.81Å; R1035-E1056 IonicContact NH2-OE1 2.73Å
1036	S	49.7	Very low	52.4	Low	110 Å²	110	84 Å²	84	77%	0.769	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	41.5	-170.4	-59.6	0	0	0	0	113.3	C1032 R1033	C1032-S1036 PolarHBondContact O-N 3.36Å; C1032-S1036 VanDerWaalsContact O-N 3.13Å; R1033-S1036 PolarHBondContact O-N 2.85Å
1037	R	47.8	Very low	51.3	Low	31 Å²	31	85.3 Å²	85.3	12%	0.117	43%	0.434	C	S	.	.			trans	-115.1	136.9	-175.1	-72.3	170.1	-173.5	-99.2	-0.2	111.9	D960 C1032 R1035 P1053 V1055	D960-R1037 IonicContact OD2-CZ 3.56Å; D960-R1037 IonicContact OD2-NE 3.61Å; D960-R1037 PolarHBondContact OD2-NE 3.43Å; D960-R1037 IonicContact OD2-NH2 3.2Å; D960-R1037 PolarHBondContact OD2-NH2 2.82Å; C1032-R1037 WeakPolarHBondContact CA-O 3.43Å; C1032-R1037 WeakPolarHBondContact CB-O 3.49Å; C1032-R1037 PolarHBondContact O-N 3.46Å; C1032-R1037 PolarHBondContact SG-O 3.19Å; R1035-R1037 VanDerWaalsContact C-N 3.28Å; R1035-R1037 HydrophobicContact CB-CB 4.38Å; R1035-R1037 HydrophobicContact CB-CG 3.85Å; R1035-R1037 PolarHBondContact O-N 3.07Å; R1037-P1053 HydrophobicContact CB-CG 4.22Å; R1037-V1055 PolarHBondContact NH1-O 2.97Å
1038	Q	44.6	Very low	50.3	Low	163 Å²	163	87.5 Å²	87.5	76%	0.762	46%	0.458	S	S	*	.			trans	-77.4	144.3	167.8	-72.4	-68	-37.2	0	0	111
1039	P	44.2	Very low	49.8	Very low	64 Å²	64	89.2 Å²	89.2	42%	0.416	47%	0.471	S	S	.	.			trans	-58.9	135.3	174.1	-24.4	34	0	0	0	112.6	R1041	P1039-R1041 PolarHBondContact O-N 2.72Å
1040	C	39.5	Very low	48.9	Very low	12 Å²	12	90.8 Å²	90.8	8%	0.081	47%	0.471	C	S	.	.			trans	-80.2	88	179	174.8	0	0	0	0	111.4	C1042 L1043 P1053 C1054	C1040-C1042 VanDerWaalsContact CA-SG 3.52Å; C1040-C1042 WeakPolarHBondContact CB-SG 3.28Å; C1040-C1042 PolarHBondContact O-N 3.06Å; C1040-C1042 VanDerWaalsContact SG-CA 3.59Å; C1040-C1042 WeakPolarHBondContact SG-CB 3.27Å; C1040-C1042 CovalentContact SG-SG 2.04Å; C1040-C1042 PolarHBondContact SG-SG 3.43Å; C1040-L1043 PolarHBondContact O-N 2.94Å; C1040-P1053 HydrophobicContact CB-CB 4.36Å; C1040-C1054 VanDerWaalsContact SG-SG 3.66Å
1041	R	42.5	Very low	48	Very low	222 Å²	222	88.7 Å²	88.7	84%	0.838	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-0.6	162.3	-62	-173.5	-180	-126.8	1.2	113.5	P1039 L1043	P1039-R1041 PolarHBondContact O-N 2.72Å; R1041-L1043 VanDerWaalsContact C-N 3.35Å
1042	C	37.9	Very low	47.2	Very low	102 Å²	102	88.2 Å²	88.2	69%	0.689	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.8	175.9	27.3	0	0	0	0	114.8	C1040	C1040-C1042 VanDerWaalsContact CA-SG 3.52Å; C1040-C1042 WeakPolarHBondContact CB-SG 3.28Å; C1040-C1042 PolarHBondContact O-N 3.06Å; C1040-C1042 VanDerWaalsContact SG-CA 3.59Å; C1040-C1042 WeakPolarHBondContact SG-CB 3.27Å; C1040-C1042 CovalentContact SG-SG 2.04Å; C1040-C1042 PolarHBondContact SG-SG 3.43Å
1043	L	39.2	Very low	46.5	Very low	71 Å²	71	89 Å²	89	37%	0.372	47%	0.469	S	S	.	.			trans	-136.1	86.3	167.6	-73.3	175.7	0	0	0	109.7	C1040 R1041 L1051 C1054	C1040-L1043 PolarHBondContact O-N 2.94Å; R1041-L1043 VanDerWaalsContact C-N 3.35Å; L1043-L1051 HydrophobicContact CB-CB 4.46Å; L1043-L1051 HydrophobicContact CB-CD1 4.05Å; L1043-C1054 HydrophobicContact CD1-CB 3.7Å
1044	T	44.2	Very low	45.6	Very low	106 Å²	106	80.1 Å²	80.1	65%	0.65	44%	0.441	S	S	*	.	B	Isolated β-bridge	trans	-68.1	134.8	160.2	-20.9	0	0	0	0	108.6
1045	S	44.1	Very low	45.1	Very low	30 Å²	30	75.2 Å²	75.2	21%	0.21	43%	0.428	C	S	.	.			trans	-67.1	163.3	168.5	-164.3	0	0	0	0	111.3	D1047 G1048 S1049	S1045-D1047 WeakPolarHBondContact CB-OD2 3.18Å; S1045-D1047 PolarHBondContact O-N 2.85Å; S1045-D1047 PolarHBondContact OG-OD1 2.8Å; S1045-D1047 PolarHBondContact OG-OD2 3.22Å; S1045-G1048 PolarHBondContact O-N 2.92Å; S1045-S1049 WeakPolarHBondContact CB-OG 2.83Å; S1045-S1049 PolarHBondContact N-O 3.47Å
1046	V	47.3	Very low	44.5	Very low	156 Å²	156	74.5 Å²	74.5	95%	0.945	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.1	175.2	-177.7	0	0	0	0	110.9
1047	D	49.3	Very low	43.6	Very low	121 Å²	121	71.2 Å²	71.2	65%	0.647	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	9.8	175	36.9	-83.8	0	0	0	113.6	S1045 S1049	S1045-D1047 WeakPolarHBondContact CB-OD2 3.18Å; S1045-D1047 PolarHBondContact O-N 2.85Å; S1045-D1047 PolarHBondContact OG-OD1 2.8Å; S1045-D1047 PolarHBondContact OG-OD2 3.22Å; D1047-S1049 PolarHBondContact O-N 3.39Å; D1047-S1049 VanDerWaalsContact O-N 3.15Å; D1047-S1049 PolarHBondContact OD2-OG 3.14Å
1048	G	47.3	Very low	42.8	Very low	50 Å²	50	74.1 Å²	74.1	52%	0.515	42%	0.421	S	S	.	.			trans	78.9	-14.5	174.5	0	0	0	0	0	115.8	S1045	S1045-G1048 PolarHBondContact O-N 2.92Å
1049	S	50.4	Low	42.3	Very low	48 Å²	48	69.1 Å²	69.1	34%	0.336	40%	0.395	S	S	.	.			trans	-56.3	145.3	179.8	60.2	0	0	0	0	113.3	S1045 D1047	S1045-S1049 WeakPolarHBondContact CB-OG 2.83Å; S1045-S1049 PolarHBondContact N-O 3.47Å; D1047-S1049 PolarHBondContact O-N 3.39Å; D1047-S1049 VanDerWaalsContact O-N 3.15Å; D1047-S1049 PolarHBondContact OD2-OG 3.14Å
1050	L	45.1	Very low	41.6	Very low	90 Å²	90	72.6 Å²	72.6	47%	0.471	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-75.1	132.8	177.4	-71.7	169.6	0	0	0	110	E1025 I1028	E1025-L1050 HydrophobicContact CG-CD1 4.3Å; I1028-L1050 HydrophobicContact CD1-CB 4.49Å; I1028-L1050 WeakPolarHBondContact CD1-O 3.4Å
1051	L	45.5	Very low	41.2	Very low	53 Å²	53	77.9 Å²	77.9	28%	0.277	44%	0.441	S	S	.	.			trans	-107.8	137.4	177.3	-68.1	172.8	0	0	0	111.2	L1043	L1043-L1051 HydrophobicContact CB-CB 4.46Å; L1043-L1051 HydrophobicContact CB-CD1 4.05Å
1052	P	45.7	Very low	40.7	Very low	6 Å²	6	72.3 Å²	72.3	4%	0.039	43%	0.434	C	S	.	.			trans	-60.4	150.9	180	11.1	-18.2	0	0	0	112.5	Y979 F1010 I1028 C1054	Y979-P1052 HydrophobicContact CE1-CG 4.38Å; F1010-P1052 HydrophobicContact CB-CG 3.82Å; F1010-P1052 HydrophobicContact CD2-CG 3.59Å; F1010-P1052 HydrophobicContact CG-CG 4.09Å; I1028-P1052 HydrophobicContact CD1-CG 4.48Å; I1028-P1052 HydrophobicContact CG1-CB 3.97Å; I1028-P1052 HydrophobicContact CG1-CG 4.11Å; I1028-P1052 HydrophobicContact CG2-CB 4.42Å; P1052-C1054 WeakPolarHBondContact O-CA 3.28Å; P1052-C1054 PolarHBondContact O-N 3.43Å
1053	P	45.8	Very low	40.6	Very low	26 Å²	26	74.4 Å²	74.4	17%	0.169	44%	0.444	C	S	.	.			trans	-51.6	115.3	-175.5	19.8	-32.3	0	0	0	112.3	R1037 C1040 V1055	R1037-P1053 HydrophobicContact CB-CG 4.22Å; C1040-P1053 HydrophobicContact CB-CB 4.36Å; P1053-V1055 PolarHBondContact O-N 2.87Å
1054	C	39.2	Very low	40	Very low	38 Å²	38	77.5 Å²	77.5	26%	0.257	47%	0.465	S	S	.	.			trans	-82.7	-2.9	-149.2	62	0	0	0	0	116.4	C1040 L1043 P1052	C1040-C1054 VanDerWaalsContact SG-SG 3.66Å; L1043-C1054 HydrophobicContact CD1-CB 3.7Å; P1052-C1054 WeakPolarHBondContact O-CA 3.28Å; P1052-C1054 PolarHBondContact O-N 3.43Å
1055	V	45.3	Very low	39.5	Very low	56 Å²	56	77.6 Å²	77.6	34%	0.339	47%	0.471	S	S	.	.			trans	-154.5	142.3	176.2	-118.7	0	0	0	0	113.4	R1037 P1053	R1037-V1055 PolarHBondContact NH1-O 2.97Å; P1053-V1055 PolarHBondContact O-N 2.87Å
1056	E	39.9	Very low	38.9	Very low	10 Å²	10	82.6 Å²	82.6	5%	0.047	50%	0.5	C	S	.	.	S	Bend	trans	-78.4	125.9	148	-45.8	-170.6	179.7	0	0	108.7	P977 R1035	P977-E1056 VanDerWaalsContact CA-CD 3.46Å; P977-E1056 WeakPolarHBondContact CA-OE2 3.23Å; P977-E1056 HydrophobicContact CB-CB 3.98Å; P977-E1056 HydrophobicContact CB-CG 4.02Å; P977-E1056 WeakPolarHBondContact CB-OE2 3.22Å; P977-E1056 VanDerWaalsContact O-CD 3.25Å; P977-E1056 WeakPolarHBondContact O-CG 3.43Å; R1035-E1056 IonicContact CZ-OE1 3.79Å; R1035-E1056 IonicContact NH1-OE1 2.69Å; R1035-E1056 PolarHBondContact NH1-OE1 2.81Å; R1035-E1056 IonicContact NH2-OE1 2.73Å
1057	F	29.9	Very low	38	Very low	41 Å²	41	78.4 Å²	78.4	18%	0.18	49%	0.489	C	S	.	.			trans	61	124.2	170.6	-48.1	-80.8	0	0	0	119.3	A957 D960 W1059	A957-F1057 WeakPolarHBondContact O-CD1 3.41Å; D960-F1057 HydrophobicContact CB-CE2 4.31Å; D960-F1057 HydrophobicContact CB-CZ 4.17Å; F1057-W1059 HydrophobicContact CB-CZ2 4.42Å; F1057-W1059 AromaticContact CD1-CE2 3.8Å; F1057-W1059 AromaticContact CD1-CH2 3.92Å; F1057-W1059 HydrophobicContact CD1-CH2 3.92Å; F1057-W1059 AromaticContact CD1-CZ2 3.3Å; F1057-W1059 HydrophobicContact CD1-CZ2 3.3Å; F1057-W1059 HydrophobicContact CE1-CH2 4.05Å; F1057-W1059 AromaticContact CE1-CZ2 3.74Å; F1057-W1059 HydrophobicContact CE1-CZ2 3.74Å; F1057-W1059 HydrophobicContact CG-CZ2 4.03Å
1058	P	31.2	Very low	36.9	Very low	92 Å²	92	77.7 Å²	77.7	60%	0.597	49%	0.493	S	S	*	.				-135.9	158.2	129.4	36.9	-25.7	0	0	0	114.1
1059	W	34	Very low	36	Very low	57 Å²	57	83.5 Å²	83.5	22%	0.216	50%	0.504	C	S	.	.			trans	-132	137.1	-169.4	-38	73.8	0	0	0	114	A957 L958 F1057 A1160 I1162	A957-W1059 WeakPolarHBondContact O-CH2 3.26Å; L958-W1059 HydrophobicContact CD2-CH2 3.73Å; L958-W1059 HydrophobicContact CD2-CZ3 3.76Å; L958-W1059 HydrophobicContact CG-CH2 4.15Å; L958-W1059 HydrophobicContact CG-CZ3 3.87Å; F1057-W1059 HydrophobicContact CB-CZ2 4.42Å; F1057-W1059 AromaticContact CD1-CE2 3.8Å; F1057-W1059 AromaticContact CD1-CH2 3.92Å; F1057-W1059 HydrophobicContact CD1-CH2 3.92Å; F1057-W1059 AromaticContact CD1-CZ2 3.3Å; F1057-W1059 HydrophobicContact CD1-CZ2 3.3Å; F1057-W1059 HydrophobicContact CE1-CH2 4.05Å; F1057-W1059 AromaticContact CE1-CZ2 3.74Å; F1057-W1059 HydrophobicContact CE1-CZ2 3.74Å; F1057-W1059 HydrophobicContact CG-CZ2 4.03Å; W1059-A1160 HydrophobicContact CB-CB 3.79Å; W1059-A1160 VanDerWaalsContact CD1-CB 3.45Å; W1059-A1160 HydrophobicContact CG-CB 3.89Å; W1059-I1162 PolarHBondContact NE1-O 2.8Å
1060	L	31.3	Very low	34.8	Very low	138 Å²	138	89 Å²	89	72%	0.723	52%	0.524	S	S	*	.			trans	55.9	106.9	138.1	-65.7	173.8	0	0	0	123.3
1061	T	29.3	Very low	34	Very low	122 Å²	122	90.7 Å²	90.7	75%	0.748	54%	0.539	S	S	*	.				71	177.3	121.7	64.7	0	0	0	0	121.7
1062	P	33.6	Very low	33.1	Very low	106 Å²	106	93.7 Å²	93.7	69%	0.688	56%	0.559	S	S	*	*			cis	-134.4	173.6	-49	34.4	-18.8	0	0	0	114
1063	T	34.8	Very low	32.3	Very low	146 Å²	146	100.1 Å²	100.1	90%	0.896	59%	0.593	S	S	*	*			trans	-155.5	150.5	147.4	-10.4	0	0	0	0	113.1
1064	V	27.6	Very low	31.4	Very low	135 Å²	135	104.6 Å²	104.6	82%	0.818	62%	0.62	S	S	*	*			trans	-120.7	133.6	174.6	172.8	0	0	0	0	108.4
1065	S	33	Very low	31.1	Very low	109 Å²	109	108 Å²	108	76%	0.762	64%	0.644	S	S	*	*			trans	-170.7	119.7	152.7	-84.2	0	0	0	0	113.8
1066	T	30.6	Very low	30.5	Very low	134 Å²	134	108.8 Å²	108.8	82%	0.822	66%	0.657	S	S	*	*			trans	28	111.5	139.7	59.9	0	0	0	0	121.1
1067	G	28.5	Very low	30.1	Very low	69 Å²	69	115 Å²	115	71%	0.711	69%	0.69	S	S	*	*				91.1	118.2	101.6	0	0	0	0	0	121.4
1068	S	26.3	Very low	30.4	Very low	106 Å²	106	121.9 Å²	121.9	74%	0.741	72%	0.723	S	S	*	*			trans	81.4	151.7	143.7	75	0	0	0	0	121.6
1069	F	28.8	Very low	30.5	Very low	171 Å²	171	122.5 Å²	122.5	75%	0.75	73%	0.729	S	S	*	*			trans	63.6	100.4	171.7	-66.5	-79.7	0	0	0	118.1
1070	E	25.4	Very low	30.5	Very low	163 Å²	163	126.7 Å²	126.7	76%	0.762	75%	0.749	S	S	*	*				84.1	152.8	66.1	-167.4	-176	-111.3	0	0	113.8
1071	V	28.1	Very low	30.4	Very low	127 Å²	127	126.3 Å²	126.3	77%	0.77	75%	0.747	S	S	*	*			trans	90.1	133.2	171	-166.7	0	0	0	0	117.3
1072	T	26.5	Very low	30.6	Very low	116 Å²	116	125.9 Å²	125.9	71%	0.712	74%	0.74	S	S	*	*			trans	-97.1	-168.8	-170	50.9	0	0	0	0	113.5
1073	D	29	Very low	30.6	Very low	141 Å²	141	128.1 Å²	128.1	75%	0.754	74%	0.739	S	S	*	*			trans	108.6	142.6	150.3	-71.1	14.2	0	0	0	118.1
1074	V	27.5	Very low	30.6	Very low	120 Å²	120	128 Å²	128	73%	0.727	73%	0.728	S	S	*	*			cis	-171.1	173.9	-29.8	107	0	0	0	0	108.8
1075	S	33	Very low	30.8	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	72%	0.719	S	S	*	*			trans	80.5	146.5	164.5	-72.9	0	0	0	0	119.3
1076	A	32.8	Very low	30.9	Very low	73 Å²	73	126.1 Å²	126.1	60%	0.603	71%	0.712	S	S	*	*			cis	-164.7	140.9	-11.6	0	0	0	0	0	115.6
1077	N	30.4	Very low	31.2	Very low	139 Å²	139	126.5 Å²	126.5	74%	0.743	71%	0.708	S	S	*	*			trans	48.5	116.2	134.2	-54.6	-16.8	0	0	0	122.3
1078	Q	36	Very low	31.4	Very low	187 Å²	187	128.9 Å²	128.9	87%	0.874	71%	0.705	S	S	*	*				168.4	154.4	112.4	-91.4	154.9	103	0	0	110.5
1079	S	34.7	Very low	31.7	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	70%	0.696	S	S	*	*			cis	-178.6	166.8	-21.2	65.2	0	0	0	0	107.3
1080	K	32.3	Very low	32	Very low	146 Å²	146	128.9 Å²	128.9	64%	0.635	70%	0.702	S	S	*	*			cis	-157.8	155.9	1.9	102.6	-70.2	146.5	-99.1	0	108.3
1081	L	30.9	Very low	32.2	Very low	129 Å²	129	126.3 Å²	126.3	68%	0.675	70%	0.697	S	S	*	*			trans	44.6	132.4	162.5	-78.8	52.6	0	0	0	117.7
1082	D	32.8	Very low	32.4	Very low	113 Å²	113	127.7 Å²	127.7	60%	0.604	70%	0.699	S	S	*	*			cis	-161.9	-178.1	37.4	-125.7	-41.7	0	0	0	107.6
1083	K	33.7	Very low	32.7	Very low	153 Å²	153	126 Å²	126	67%	0.665	70%	0.696	S	S	*	*			cis	-150.7	-153.5	9.7	-152.5	133.9	-159.9	72.9	0	114
1084	Q	34.2	Very low	32.7	Very low	144 Å²	144	127.5 Å²	127.5	67%	0.673	70%	0.699	S	S	*	*			trans	-76.2	162.5	178.9	-70.8	178.1	-100.8	0	0	114.5
1085	D	32.7	Very low	33	Very low	116 Å²	116	128.4 Å²	128.4	62%	0.62	70%	0.698	S	S	*	*			cis	-163.7	159.2	-0.3	-131.2	-51.2	0	0	0	113.8
1086	S	35	Very low	32.8	Very low	89 Å²	89	128.6 Å²	128.6	62%	0.622	70%	0.699	S	S	*	*			trans	61.7	143.2	138.6	-75.4	0	0	0	0	121.4
1087	L	36.6	Very low	32.7	Very low	142 Å²	142	130.7 Å²	130.7	74%	0.743	71%	0.71	S	S	*	*			cis	-159.3	169.7	-0.8	-75.4	131.3	0	0	0	106.1
1088	N	33.1	Very low	32.9	Very low	119 Å²	119	129.8 Å²	129.8	64%	0.636	71%	0.711	S	S	*	*			cis	-158.4	139	-15.7	-112.4	-4	0	0	0	106
1089	T	31.7	Very low	32.6	Very low	91 Å²	91	126.5 Å²	126.5	56%	0.558	70%	0.704	S	S	*	*				75.8	101.8	60.3	-51	0	0	0	0	115.8	T1091	T1089-T1091 WeakPolarHBondContact CG2-OG1 3.3Å
1090	Q	36.1	Very low	32.2	Very low	185 Å²	185	127 Å²	127	86%	0.864	70%	0.703	S	S	*	*				-170.2	108.7	127.8	-103.4	151.7	99.9	0	0	109.3
1091	T	28.7	Very low	32.2	Very low	109 Å²	109	125.8 Å²	125.8	67%	0.669	71%	0.708	S	S	*	*			cis	93.8	153.7	32.3	-50.8	0	0	0	0	113.6	T1089	T1089-T1091 WeakPolarHBondContact CG2-OG1 3.3Å
1092	I	33.4	Very low	32	Very low	157 Å²	157	126.9 Å²	126.9	81%	0.805	71%	0.714	S	S	*	*			trans	90.2	126.5	174.3	-52.8	174.2	0	0	0	113.5
1093	A	32.9	Very low	32.1	Very low	79 Å²	79	125.8 Å²	125.8	65%	0.653	71%	0.714	S	S	*	*			cis	-163.7	136.5	-14	0	0	0	0	0	107.3
1094	E	28	Very low	31.9	Very low	173 Å²	173	128.9 Å²	128.9	81%	0.808	72%	0.721	S	S	*	*				83.2	153.4	70.7	-151.9	-175.9	-117.8	0	0	114
1095	I	34.1	Very low	31.6	Very low	140 Å²	140	128 Å²	128	72%	0.718	73%	0.726	S	S	*	*			trans	73.3	106.8	174.8	-47.4	167.8	0	0	0	113.9
1096	S	28.7	Very low	31.5	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	73%	0.727	S	S	*	*			cis	79.5	92.1	36.5	-44.8	0	0	0	0	115.8
1097	S	31.2	Very low	31.3	Very low	117 Å²	117	128.5 Å²	128.5	82%	0.818	73%	0.729	S	S	*	*			trans	-156	122.2	161.4	54.1	0	0	0	0	113.5
1098	P	34.3	Very low	31.2	Very low	120 Å²	120	130.9 Å²	130.9	78%	0.779	73%	0.733	S	S	*	*			trans	-101.7	-165.6	165.4	37.3	-30.4	0	0	0	111.4
1099	T	29.5	Very low	31.3	Very low	118 Å²	118	129.7 Å²	129.7	72%	0.724	73%	0.734	S	S	*	*			trans	96.2	118.8	157.3	-13.7	0	0	0	0	119.6
1100	T	26.5	Very low	31.5	Very low	115 Å²	115	130.9 Å²	130.9	71%	0.706	74%	0.742	S	S	*	*			trans	79.2	139.1	142.8	32	0	0	0	0	124.9
1101	T	32.6	Very low	31.4	Very low	120 Å²	120	128 Å²	128	74%	0.736	74%	0.737	S	S	*	*			trans	70.1	110.1	146.7	46.8	0	0	0	0	121.7
1102	D	26	Very low	31.4	Very low	151 Å²	151	128 Å²	128	81%	0.807	74%	0.737	S	S	*	*				38.4	151.1	107.2	-93.3	-15.7	0	0	0	121
1103	P	36.2	Very low	31.4	Very low	91 Å²	91	129.4 Å²	129.4	59%	0.591	74%	0.74	S	S	*	*			cis	-146.8	-171.3	-20.1	43.1	-25.1	0	0	0	115.6
1104	R	28.1	Very low	31.3	Very low	217 Å²	217	129 Å²	129	82%	0.819	74%	0.737	S	S	*	*			trans	71.8	138.5	147.1	-78.6	176.6	-176.1	172.1	1.7	121.9
1105	T	28.5	Very low	31.3	Very low	127 Å²	127	129.3 Å²	129.3	78%	0.779	74%	0.738	S	S	*	*			trans	63.6	149.8	144.6	51.8	0	0	0	0	117
1106	S	30.1	Very low	31.2	Very low	91 Å²	91	127.5 Å²	127.5	64%	0.636	73%	0.734	S	S	*	*			cis	175.6	161.6	4.6	38.5	0	0	0	0	105.5
1107	D	32	Very low	31.2	Very low	124 Å²	124	129.5 Å²	129.5	66%	0.663	74%	0.736	S	S	*	*			cis	-171.2	-176.6	-10.5	-91.5	-25.1	0	0	0	106.5
1108	F	33.5	Very low	31.2	Very low	191 Å²	191	127.8 Å²	127.8	84%	0.838	73%	0.729	S	S	*	*			trans	71.7	142.4	163.4	-57.7	-81.2	0	0	0	117.8
1109	S	36.3	Very low	31	Very low	94 Å²	94	127.6 Å²	127.6	66%	0.657	73%	0.726	S	S	*	*			cis	-171.7	163.8	-20.7	-108.3	0	0	0	0	107.2
1110	T	35.4	Very low	31.2	Very low	116 Å²	116	128 Å²	128	71%	0.712	72%	0.724	S	S	*	*			cis	-152.8	-176.6	19.5	-4.5	0	0	0	0	106.8
1111	T	34.1	Very low	31.5	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	73%	0.728	S	S	*	*			cis	-146.9	145.7	20.1	-29	0	0	0	0	113.8
1112	T	28.2	Very low	31.4	Very low	109 Å²	109	130.1 Å²	130.1	67%	0.669	73%	0.726	S	S	*	*			trans	-46.8	156.9	152.5	2.8	0	0	0	0	113.5
1113	Q	33.4	Very low	31.4	Very low	185 Å²	185	128.7 Å²	128.7	86%	0.864	73%	0.726	S	S	*	*			cis	-154.5	179.7	33.4	-61.3	-179.9	9.6	0	0	110.3
1114	A	29.7	Very low	31.2	Very low	71 Å²	71	129.7 Å²	129.7	59%	0.587	73%	0.733	S	S	*	*			cis	176.7	145.7	-43.4	0	0	0	0	0	108.3
1115	Q	29.5	Very low	31.5	Very low	180 Å²	180	125.7 Å²	125.7	84%	0.841	73%	0.733	S	S	*	*			trans	66.2	155.8	158.3	-64.4	175.1	8.8	0	0	116.7
1116	T	30.7	Very low	31.6	Very low	101 Å²	101	124.9 Å²	124.9	62%	0.62	73%	0.73	S	S	*	*			cis	-164.2	150.7	-6.4	14.4	0	0	0	0	109.8
1117	N	29.6	Very low	31.6	Very low	155 Å²	155	126.5 Å²	126.5	83%	0.829	74%	0.736	S	S	*	*			trans	59.7	150	145.4	-56.1	-14.4	0	0	0	118.9
1118	A	31.7	Very low	31.2	Very low	82 Å²	82	124.9 Å²	124.9	68%	0.678	74%	0.74	S	S	*	*			cis	-154.2	173.4	6	0	0	0	0	0	111.8
1119	T	29.5	Very low	31.1	Very low	116 Å²	116	122.4 Å²	122.4	71%	0.712	74%	0.74	S	S	*	*			trans	12.2	130.5	147.1	48.3	0	0	0	0	119.2
1120	N	34	Very low	30.6	Very low	127 Å²	127	122.6 Å²	122.6	68%	0.679	74%	0.742	S	S	*	*				-157.2	124.8	57	-95.8	-41.9	0	0	0	111
1121	Q	32.3	Very low	30.3	Very low	173 Å²	173	123.5 Å²	123.5	81%	0.808	75%	0.747	S	S	*	*				95.6	147	90.8	-86.4	-162.7	-18.4	0	0	114.1
1122	P	30.6	Very low	29.9	Very low	106 Å²	106	122 Å²	122	69%	0.688	74%	0.742	S	S	*	*			trans	-142.5	175	-130.4	42.7	-24.6	0	0	0	117.7
1123	C	26.5	Very low	29.9	Very low	120 Å²	120	121.6 Å²	121.6	81%	0.811	75%	0.749	S	S	*	*			trans	67.1	175.3	151.4	-80.6	0	0	0	0	116.7
1124	P	30.6	Very low	29.7	Very low	112 Å²	112	117.8 Å²	117.8	73%	0.727	74%	0.743	S	S	*	*			cis	-125	148.8	-1.9	19.3	4.3	0	0	0	116.4
1125	T	35.6	Very low	29.5	Very low	134 Å²	134	119.5 Å²	119.5	82%	0.822	75%	0.751	S	S	*	*			trans	-71.9	137.8	137	39.4	0	0	0	0	108.1
1126	P	30.5	Very low	29.4	Very low	110 Å²	110	117 Å²	117	71%	0.714	75%	0.748	S	S	*	*				-140.9	-163.7	81.9	29.9	-5.4	0	0	0	110.6
1127	T	29.2	Very low	29.2	Very low	124 Å²	124	117.2 Å²	117.2	76%	0.761	75%	0.754	S	S	*	*			cis	-159.9	155.3	25.6	-37.1	0	0	0	0	110.9
1128	A	25.1	Very low	29.1	Very low	90 Å²	90	114.5 Å²	114.5	74%	0.744	75%	0.752	S	S	*	*			trans	-71	153.9	168.9	0	0	0	0	0	112.5
1129	T	30.5	Very low	28.9	Very low	139 Å²	139	115.7 Å²	115.7	85%	0.853	76%	0.762	S	S	*	*			trans	-142.3	119.9	149.9	-52.6	0	0	0	0	109.2
1130	S	25.5	Very low	28.8	Very low	98 Å²	98	113.7 Å²	113.7	69%	0.685	77%	0.765	S	S	*	*			trans	-92.7	128.9	179.9	52.7	0	0	0	0	111.9
1131	V	29.8	Very low	28.4	Very low	136 Å²	136	115.4 Å²	115.4	82%	0.824	77%	0.774	S	S	*	*			trans	-143.6	112.1	154.3	-86.9	0	0	0	0	105.5
1132	S	25.7	Very low	28.3	Very low	94 Å²	94	111.8 Å²	111.8	66%	0.657	76%	0.764	S	S	*	*			cis	74.4	127.7	29.4	-42.4	0	0	0	0	114.1
1133	A	28.4	Very low	28.1	Very low	100 Å²	100	111.6 Å²	111.6	83%	0.826	77%	0.765	S	S	*	*			trans	69.3	148.4	176.8	0	0	0	0	0	116.6
1134	S	29	Very low	28.1	Very low	106 Å²	106	111.1 Å²	111.1	74%	0.741	76%	0.759	S	S	*	*			cis	-167.6	162.7	-21.5	48.5	0	0	0	0	111.2
1135	S	24.7	Very low	27.9	Very low	107 Å²	107	110.8 Å²	110.8	75%	0.748	76%	0.758	S	S	*	*			trans	-46.6	129.2	170.5	52.6	0	0	0	0	117.4
1136	T	28.7	Very low	27.6	Very low	127 Å²	127	112.6 Å²	112.6	78%	0.779	76%	0.762	S	S	*	*			trans	-179	125.7	139.6	34.6	0	0	0	0	105.9
1137	S	24.9	Very low	27.7	Very low	106 Å²	106	115.3 Å²	115.3	74%	0.741	76%	0.762	S	S	*	*				68.7	143.8	54.7	80.6	0	0	0	0	114.3
1138	A	28.3	Very low	28.2	Very low	97 Å²	97	112 Å²	112	80%	0.802	74%	0.744	S	S	*	*			trans	67.1	112.3	-158.8	0	0	0	0	0	113.3
1139	A	26.6	Very low	29.3	Very low	107 Å²	107	113.1 Å²	113.1	88%	0.884	74%	0.736	S	S	*	*				80.7	114.7	57.7	0	0	0	0	0	113
1140	G	29	Very low	30	Very low	75 Å²	75	107.3 Å²	107.3	77%	0.773	70%	0.7	S	S	*	*			trans	179.1	80.5	-175.6	0	0	0	0	0	111.4
1141	N	25.6	Very low	31	Very low	163 Å²	163	105.4 Å²	105.4	87%	0.872	69%	0.685	S	S	*	*			trans	-69.3	134	-176.6	-64	-12.8	0	0	0	112.4
1142	T	28.8	Very low	31.9	Very low	96 Å²	96	99.1 Å²	99.1	59%	0.589	65%	0.648	S	S	*	*			trans	-149.1	125	135.8	38.2	0	0	0	0	110.6	S1181	T1142-S1181 WeakPolarHBondContact CG2-OG 3.39Å; T1142-S1181 PolarHBondContact OG1-OG 2.95Å
1143	S	26.4	Very low	32.9	Very low	103 Å²	103	96.3 Å²	96.3	72%	0.72	63%	0.628	S	S	*	*			trans	-83.4	137.6	176.7	176.5	0	0	0	0	111.1
1144	T	27.8	Very low	33.6	Very low	110 Å²	110	98 Å²	98	68%	0.675	62%	0.623	S	S	*	*			trans	-151.2	119.5	153.8	43.2	0	0	0	0	110.8
1145	C	26.6	Very low	34.5	Very low	105 Å²	105	101.6 Å²	101.6	71%	0.709	62%	0.62	S	S	*	*			trans	52.5	92.3	160	-147.5	0	0	0	0	117.9	K1147	C1145-K1147 PolarHBondContact O-N 3.4Å
1146	L	28.7	Very low	35.1	Very low	172 Å²	172	98.1 Å²	98.1	90%	0.901	59%	0.592	S	S	*	*			trans	-60.9	125.3	155.7	-72.8	166.6	0	0	0	108.7
1147	K	32.7	Very low	35.4	Very low	167 Å²	167	98.2 Å²	98.2	73%	0.726	59%	0.586	S	S	*	*			trans	-77.7	141.5	165.2	-67.8	-177.4	178.9	-178.9	0	108.7	C1145 I1149	C1145-K1147 PolarHBondContact O-N 3.4Å; K1147-I1149 PolarHBondContact O-N 2.97Å
1148	S	40.4	Very low	35.7	Very low	53 Å²	53	103.4 Å²	103.4	37%	0.371	59%	0.59	S	S	.	*			trans	-71.6	94.2	-178.8	41.4	0	0	0	0	111.8	E988	E988-S1148 WeakPolarHBondContact OE1-CB 3.2Å; E988-S1148 PolarHBondContact OE1-OG 3.02Å; E988-S1148 WeakPolarHBondContact OE2-CB 3.45Å; E988-S1148 PolarHBondContact OE2-OG 3.02Å
1149	I	47.4	Very low	35.9	Very low	114 Å²	114	102.4 Å²	102.4	59%	0.585	59%	0.589	S	S	*	*			trans	-84.1	118.8	174.2	-64.3	173.3	0	0	0	107.6	K1147 S1153	K1147-I1149 PolarHBondContact O-N 2.97Å; I1149-S1153 WeakPolarHBondContact CG2-OG 3.49Å
1150	L	44.7	Very low	36.2	Very low	18 Å²	18	98.2 Å²	98.2	9%	0.094	55%	0.554	C	S	.	*			trans	-52.8	139	175.1	-76.5	164	0	0	0	110.5	C981 F984 L985 C1152 S1153 I1168	C981-L1150 HydrophobicContact CB-CD2 4.38Å; F984-L1150 HydrophobicContact CD1-CD2 3.83Å; F984-L1150 HydrophobicContact CE1-CD2 4.47Å; L985-L1150 HydrophobicContact CD1-CD2 3.93Å; L985-L1150 HydrophobicContact CD2-CD2 4.05Å; L985-L1150 HydrophobicContact CG-CD2 3.75Å; L1150-C1152 PolarHBondContact O-N 3.3Å; L1150-S1153 WeakPolarHBondContact CB-OG 3.28Å; L1150-S1153 PolarHBondContact N-OG 3.38Å; L1150-S1153 VanDerWaalsContact O-CB 3.27Å; L1150-S1153 WeakPolarHBondContact O-CB 3.22Å; L1150-S1153 PolarHBondContact O-N 3.39Å; L1150-S1153 PolarHBondContact O-OG 3.19Å; L1150-I1168 HydrophobicContact CD1-CD1 4.47Å
1151	P	47	Very low	36.3	Very low	57 Å²	57	100.4 Å²	100.4	37%	0.37	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	-20.5	-176.5	21.7	-33.1	0	0	0	114.2	H980 F984	H980-P1151 HydrophobicContact CB-CB 4.18Å; H980-P1151 HydrophobicContact CB-CG 3.59Å; H980-P1151 WeakPolarHBondContact O-CG 3.3Å; F984-P1151 HydrophobicContact CB-CG 4.14Å; F984-P1151 HydrophobicContact CG-CG 4.46Å
1152	C	48.6	Very low	36.9	Very low	5 Å²	5	97.8 Å²	97.8	3%	0.034	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.2	173.8	70.7	0	0	0	0	114.5	C981 L1150 N1154 R1155 H1156 C1165	C981-C1152 PolarHBondContact SG-SG 2.79Å; L1150-C1152 PolarHBondContact O-N 3.3Å; C1152-N1154 PolarHBondContact O-N 3.23Å; C1152-R1155 WeakPolarHBondContact O-CB 3.28Å; C1152-R1155 PolarHBondContact O-N 3.18Å; C1152-H1156 PolarHBondContact O-CD2 2.86Å; C1152-C1165 WeakPolarHBondContact CB-SG 3.29Å; C1152-C1165 WeakPolarHBondContact SG-CB 3.36Å; C1152-C1165 CovalentContact SG-SG 2.03Å; C1152-C1165 PolarHBondContact SG-SG 3.1Å
1153	S	47.4	Very low	37.1	Very low	35 Å²	35	94.9 Å²	94.9	25%	0.245	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.3	-159.6	-56.7	0	0	0	0	115.8	I1149 L1150	I1149-S1153 WeakPolarHBondContact CG2-OG 3.49Å; L1150-S1153 WeakPolarHBondContact CB-OG 3.28Å; L1150-S1153 PolarHBondContact N-OG 3.38Å; L1150-S1153 VanDerWaalsContact O-CB 3.27Å; L1150-S1153 WeakPolarHBondContact O-CB 3.22Å; L1150-S1153 PolarHBondContact O-N 3.39Å; L1150-S1153 PolarHBondContact O-OG 3.19Å
1154	N	42.3	Very low	37.6	Very low	134 Å²	134	91.2 Å²	91.2	72%	0.717	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	0.4	-178.3	-61.1	-23	0	0	0	113.6	C1152	C1152-N1154 PolarHBondContact O-N 3.23Å
1155	R	47.2	Very low	38.1	Very low	183 Å²	183	86.9 Å²	86.9	69%	0.691	47%	0.47	S	S	*	.	S	Bend	trans	-100.6	-7.2	-173.4	-61.9	-171.9	-177.7	-124.9	5.5	114.9	C1152	C1152-R1155 WeakPolarHBondContact O-CB 3.28Å; C1152-R1155 PolarHBondContact O-N 3.18Å
1156	H	38.6	Very low	38.4	Very low	34 Å²	34	87.5 Å²	87.5	16%	0.157	46%	0.462	C	S	.	.	S	Bend	trans	-111	135.1	-177.5	-60	-92.6	0	0	0	112.1	C1152 R1158 T1163 C1164 C1165	C1152-H1156 PolarHBondContact O-CD2 2.86Å; H1156-R1158 PolarHBondContact O-N 3.47Å; H1156-T1163 HydrophobicContact CB-CG2 4.19Å; H1156-C1164 VanDerWaalsContact CE1-SG 3.51Å; H1156-C1164 PolarHBondContact NE2-SG 3.42Å; H1156-C1165 PolarHBondContact CD2-SG 3.47Å
1157	I	35.5	Very low	38.8	Very low	128 Å²	128	80.5 Å²	80.5	66%	0.656	43%	0.432	S	S	*	.			trans	-67.3	127.3	177.4	-63.9	174.5	0	0	0	109.8	G1159	I1157-G1159 PolarHBondContact O-N 3.37Å
1158	R	29.8	Very low	38.7	Very low	216 Å²	216	76.2 Å²	76.2	82%	0.815	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	112.4	169.5	-74	-177.3	172.3	-166.2	-1.6	110	H1156	H1156-R1158 PolarHBondContact O-N 3.47Å
1159	G	33.1	Very low	38.1	Very low	76 Å²	76	80.9 Å²	80.9	78%	0.784	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.2	-21.3	170.8	0	0	0	0	0	115	I1157	I1157-G1159 PolarHBondContact O-N 3.37Å
1160	A	32.2	Very low	37.2	Very low	18 Å²	18	82.5 Å²	82.5	15%	0.149	44%	0.435	C	S	.	.	S	Bend	trans	-73.4	145.9	176	0	0	0	0	0	112.1	W1059 I1162 T1163	W1059-A1160 HydrophobicContact CB-CB 3.79Å; W1059-A1160 VanDerWaalsContact CD1-CB 3.45Å; W1059-A1160 HydrophobicContact CG-CB 3.89Å; A1160-I1162 VanDerWaalsContact C-N 3.26Å; A1160-I1162 PolarHBondContact O-N 2.79Å; A1160-T1163 HydrophobicContact CB-CG2 4Å
1161	P	32.6	Very low	36.4	Very low	122 Å²	122	87 Å²	87	79%	0.792	46%	0.464	S	S	*	.	S	Bend	trans	-63.2	-26.7	-172.6	-24.3	35.1	0	0	0	115
1162	I	36.8	Very low	35.6	Very low	108 Å²	108	91 Å²	91	55%	0.554	48%	0.482	S	S	*	.			trans	-129	109.5	178.4	-47.5	176.7	0	0	0	107.8	W1059 A1160	W1059-I1162 PolarHBondContact NE1-O 2.8Å; A1160-I1162 VanDerWaalsContact C-N 3.26Å; A1160-I1162 PolarHBondContact O-N 2.79Å
1163	T	33.3	Very low	34.6	Very low	34 Å²	34	97.3 Å²	97.3	21%	0.209	52%	0.52	C	S	.	.			trans	-129.5	120.4	174.3	49.7	0	0	0	0	109.4	H1156 A1160 C1165 H1166	H1156-T1163 HydrophobicContact CB-CG2 4.19Å; A1160-T1163 HydrophobicContact CB-CG2 4Å; T1163-C1165 PolarHBondContact O-N 3Å; T1163-H1166 PolarHBondContact O-N 3.47Å
1164	C	37.1	Very low	33.7	Very low	26 Å²	26	98.7 Å²	98.7	18%	0.176	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	9.2	-160.7	67.1	0	0	0	0	116.4	P977 H1156	P977-C1164 HydrophobicContact CB-CB 3.78Å; P977-C1164 HydrophobicContact CG-CB 3.61Å; H1156-C1164 VanDerWaalsContact CE1-SG 3.51Å; H1156-C1164 PolarHBondContact NE2-SG 3.42Å
1165	C	37.6	Very low	33	Very low	19 Å²	19	98.6 Å²	98.6	13%	0.128	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	13.9	-176.1	-28.6	0	0	0	0	112.8	C1152 H1156 T1163	C1152-C1165 WeakPolarHBondContact CB-SG 3.29Å; C1152-C1165 WeakPolarHBondContact SG-CB 3.36Å; C1152-C1165 CovalentContact SG-SG 2.03Å; C1152-C1165 PolarHBondContact SG-SG 3.1Å; H1156-C1165 PolarHBondContact CD2-SG 3.47Å; T1163-C1165 PolarHBondContact O-N 3Å
1166	H	34.1	Very low	32.1	Very low	118 Å²	118	95.7 Å²	95.7	55%	0.546	54%	0.543	S	S	.	.	S	Bend	trans	-114.9	104.3	-180	-103.2	45.2	0	0	0	112.2	T1163	T1163-H1166 PolarHBondContact O-N 3.47Å
1167	G	36.4	Very low	31.7	Very low	26 Å²	26	100 Å²	100	27%	0.268	57%	0.572	S	S	.	*	S	Bend	trans	138.8	-25.2	169.5	0	0	0	0	0	115.1	Y722 H1169	Y722-G1167 VanDerWaalsContact OH-CA 3.27Å; Y722-G1167 WeakPolarHBondContact OH-CA 3.33Å; Y722-G1167 PolarHBondContact OH-O 3.18Å; G1167-H1169 PolarHBondContact O-N 2.71Å
1168	I	30.7	Very low	31.3	Very low	76 Å²	76	99.8 Å²	99.8	39%	0.39	58%	0.576	S	S	.	*			trans	-76.2	112.3	-178.9	-56.7	178.2	0	0	0	110.1	A972 L1150 F1170	A972-I1168 HydrophobicContact CB-CD1 4.46Å; L1150-I1168 HydrophobicContact CD1-CD1 4.47Å; I1168-F1170 HydrophobicContact CG2-CD2 3.65Å; I1168-F1170 HydrophobicContact CG2-CE2 3.32Å; I1168-F1170 HydrophobicContact CG2-CZ 4Å
1169	H	28.3	Very low	31.3	Very low	152 Å²	152	92.9 Å²	92.9	70%	0.704	56%	0.562	S	S	*	*			trans	-133.5	94.6	175.4	-115.8	-45.8	0	0	0	109.8	G1167	G1167-H1169 PolarHBondContact O-N 2.71Å
1170	F	28.4	Very low	31.2	Very low	148 Å²	148	96.7 Å²	96.7	65%	0.649	56%	0.564	S	S	*	*			trans	-84.8	130.4	178.7	-71.7	-62.1	0	0	0	112.5	L985 I1168 L1172	L985-F1170 HydrophobicContact CD2-CE2 4.4Å; I1168-F1170 HydrophobicContact CG2-CD2 3.65Å; I1168-F1170 HydrophobicContact CG2-CE2 3.32Å; I1168-F1170 HydrophobicContact CG2-CZ 4Å; F1170-L1172 PolarHBondContact O-N 2.99Å
1171	P	28.4	Very low	31.1	Very low	111 Å²	111	99 Å²	99	72%	0.721	58%	0.579	S	S	*	*			trans	-76	114.6	167.9	-12.7	29	0	0	0	110.7	V1173	P1171-V1173 PolarHBondContact O-N 2.79Å
1172	L	28.2	Very low	31	Very low	141 Å²	141	98.8 Å²	98.8	74%	0.738	58%	0.58	S	S	*	*			trans	-69.9	99.9	173.1	-107.5	163.3	0	0	0	110.6	F1170 G1174	F1170-L1172 PolarHBondContact O-N 2.99Å; L1172-G1174 PolarHBondContact O-N 3.37Å
1173	V	29.1	Very low	30.6	Very low	138 Å²	138	98.3 Å²	98.3	84%	0.836	59%	0.592	S	S	*	*			trans	-88	106.2	175.8	-179.3	0	0	0	0	110	P1171	P1171-V1173 PolarHBondContact O-N 2.79Å
1174	G	28.6	Very low	30.5	Very low	65 Å²	65	103.3 Å²	103.3	67%	0.67	62%	0.618	S	S	*	*			trans	96.9	52.7	151.2	0	0	0	0	0	119	L1172	L1172-G1174 PolarHBondContact O-N 3.37Å
1175	I	27.9	Very low	30.2	Very low	131 Å²	131	109.4 Å²	109.4	67%	0.672	64%	0.644	S	S	*	*			trans	-127.3	109.7	151.4	-55.8	-178.9	0	0	0	109.2	T1177	I1175-T1177 PolarHBondContact O-N 3.48Å
1176	P	27	Very low	29.9	Very low	122 Å²	122	114.5 Å²	114.5	79%	0.792	67%	0.67	S	S	*	*			trans	-90.1	101.5	-178.4	33.2	-31.8	0	0	0	112
1177	T	29.6	Very low	29.9	Very low	125 Å²	125	114.4 Å²	114.4	77%	0.767	68%	0.678	S	S	*	*			trans	-114.7	109.4	167.8	44.3	0	0	0	0	110.9	I1175	I1175-T1177 PolarHBondContact O-N 3.48Å
1178	V	28.1	Very low	29.7	Very low	123 Å²	123	120.4 Å²	120.4	75%	0.745	70%	0.704	S	S	*	*			trans	-99.8	123	-179.1	-179.9	0	0	0	0	109.9
1179	S	29.6	Very low	29.8	Very low	72 Å²	72	121.7 Å²	121.7	50%	0.503	73%	0.726	S	S	.	*			trans	-139.2	86	168.3	53.4	0	0	0	0	110.5
1180	N	30.2	Very low	30	Very low	155 Å²	155	117.8 Å²	117.8	83%	0.829	73%	0.726	S	S	*	*			trans	-73.8	137.5	178.9	-85.6	-27.6	0	0	0	112.6
1181	S	31.5	Very low	30.2	Very low	68 Å²	68	117.1 Å²	117.1	48%	0.476	74%	0.738	S	S	.	*			trans	-141.8	136	155.1	61.7	0	0	0	0	110.1	T1142	T1142-S1181 WeakPolarHBondContact CG2-OG 3.39Å; T1142-S1181 PolarHBondContact OG1-OG 2.95Å
1182	S	30.1	Very low	30.2	Very low	116 Å²	116	119.6 Å²	119.6	81%	0.811	74%	0.744	S	S	*	*			cis	-166.4	118.6	-11.3	46.4	0	0	0	0	108.9
1183	A	29.1	Very low	30.6	Very low	98 Å²	98	117.9 Å²	117.9	81%	0.81	74%	0.741	S	S	*	*			trans	-149.9	74.4	178.7	0	0	0	0	0	113
1184	N	29.7	Very low	30.8	Very low	140 Å²	140	115.8 Å²	115.8	75%	0.749	73%	0.733	S	S	*	*			trans	55.4	119.3	154.1	-78.6	-43.6	0	0	0	121.4
1185	Q	31.7	Very low	31	Very low	153 Å²	153	119.5 Å²	119.5	72%	0.715	74%	0.736	S	S	*	*			trans	74	139.1	139.5	-58.1	163.1	39.4	0	0	117.7
1186	N	31.5	Very low	31.3	Very low	127 Å²	127	120.1 Å²	120.1	68%	0.679	74%	0.74	S	S	*	*			cis	-165.8	146.6	-9.1	-106.7	-8.3	0	0	0	109.2
1187	T	33.1	Very low	31.7	Very low	116 Å²	116	118.8 Å²	118.8	71%	0.712	73%	0.734	S	S	*	*			trans	54.9	142.8	152.6	60	0	0	0	0	120
1188	D	32.4	Very low	32	Very low	152 Å²	152	118.2 Å²	118.2	81%	0.813	74%	0.735	S	S	*	*			cis	-164.3	176	-8.9	-110.1	-38.9	0	0	0	110.8
1189	A	34	Very low	32.3	Very low	103 Å²	103	119.7 Å²	119.7	85%	0.851	74%	0.739	S	S	*	*			trans	-28.3	161.8	179	0	0	0	0	0	121.4
1190	G	32.2	Very low	32.7	Very low	69 Å²	69	120.5 Å²	120.5	71%	0.711	74%	0.742	S	S	*	*			cis	154.3	176.1	-2.7	0	0	0	0	0	114.5
1191	C	31.8	Very low	33	Very low	134 Å²	134	121.5 Å²	121.5	91%	0.905	74%	0.742	S	S	*	*			trans	79.9	163.6	169.6	-65.5	0	0	0	0	121.8
1192	I	29.2	Very low	33.1	Very low	164 Å²	164	122.6 Å²	122.6	84%	0.841	75%	0.75	S	S	*	*			trans	-168.5	-174.8	-159.2	19.2	164	0	0	0	108.8
1193	P	35.7	Very low	33.3	Very low	105 Å²	105	124.1 Å²	124.1	68%	0.682	75%	0.754	S	S	*	*			cis	-137.9	-160.9	-8.4	27.2	-0.3	0	0	0	114.7
1194	S	33.7	Very low	33.4	Very low	94 Å²	94	125.3 Å²	125.3	66%	0.657	75%	0.752	S	S	*	*				101.3	128.8	128.8	-81.5	0	0	0	0	126.5
1195	I	33.8	Very low	33.7	Very low	142 Å²	142	125 Å²	125	73%	0.728	75%	0.75	S	S	*	*				98.8	145.7	123.8	-75.8	169.7	0	0	0	124.2
1196	D	34.2	Very low	33.9	Very low	144 Å²	144	126.2 Å²	126.2	77%	0.77	75%	0.753	S	S	*	*			trans	80.3	148.2	159	-84.5	-22	0	0	0	122.7
1197	S	35.4	Very low	34	Very low	95 Å²	95	123.9 Å²	123.9	66%	0.664	76%	0.759	S	S	*	*			cis	-174.9	175.7	-22.7	-119.4	0	0	0	0	114.3
1198	S	35	Very low	34	Very low	113 Å²	113	123.7 Å²	123.7	79%	0.79	76%	0.762	S	S	*	*			trans	75.5	136.8	168.3	72.5	0	0	0	0	119.3
1199	N	33.8	Very low	33.8	Very low	154 Å²	154	122.8 Å²	122.8	82%	0.824	76%	0.762	S	S	*	*			cis	81.9	148.5	12.7	-143	21	0	0	0	115.1
1200	P	39.6	Very low	33.7	Very low	88 Å²	88	124.7 Å²	124.7	57%	0.571	76%	0.762	S	S	*	*			cis	-145.5	-164.9	7.1	47	-26.8	0	0	0	118.7
1201	Q	36.4	Very low	33.5	Very low	177 Å²	177	129.4 Å²	129.4	83%	0.827	77%	0.768	S	S	*	*			trans	76.8	154.7	153.1	-76.3	168.9	-12.7	0	0	121.1
1202	S	32.8	Very low	33.6	Very low	90 Å²	90	128.8 Å²	128.8	63%	0.629	76%	0.76	S	S	*	*			cis	175.5	141.8	-32.9	55.4	0	0	0	0	112
1203	T	34.8	Very low	33.7	Very low	148 Å²	148	129.4 Å²	129.4	91%	0.908	76%	0.76	S	S	*	*			trans	-178.2	166.6	142.5	24.8	0	0	0	0	113
1204	T	31.4	Very low	33.6	Very low	123 Å²	123	132 Å²	132	76%	0.755	76%	0.762	S	S	*	*			trans	-144.4	147.3	-168.3	55.3	0	0	0	0	114.2
1205	D	34.7	Very low	33.6	Very low	134 Å²	134	134.5 Å²	134.5	72%	0.717	77%	0.766	S	S	*	*			trans	168.6	173.1	144	-95.7	-16.6	0	0	0	111.4
1206	K	36.3	Very low	33.7	Very low	179 Å²	179	134.2 Å²	134.2	78%	0.778	76%	0.761	S	S	*	*				-168.9	132.5	-56.7	-113.7	-159.6	-154.9	86.7	0	111.7
1207	G	33.7	Very low	33.8	Very low	78 Å²	78	135.9 Å²	135.9	80%	0.804	76%	0.764	S	S	*	*			trans	68.8	179	164.7	0	0	0	0	0	117.1
1208	S	32.7	Very low	33.8	Very low	111 Å²	111	136 Å²	136	78%	0.776	77%	0.771	S	S	*	*			cis	-178.9	123.1	-26.7	175.4	0	0	0	0	110.5
1209	V	28.5	Very low	33.8	Very low	134 Å²	134	135.5 Å²	135.5	81%	0.812	77%	0.774	S	S	*	*			trans	34.8	125.6	151.9	-174	0	0	0	0	120.8
1210	V	32.2	Very low	33.8	Very low	142 Å²	142	133 Å²	133	86%	0.861	77%	0.769	S	S	*	*			trans	-172	162.5	136.8	135.6	0	0	0	0	111.6
1211	M	28.2	Very low	33.5	Very low	168 Å²	168	136.8 Å²	136.8	83%	0.828	78%	0.783	S	S	*	*			trans	-91.2	-172.2	-173.8	-61.5	178.7	169	0	0	115.5
1212	T	34.4	Very low	33.4	Very low	121 Å²	121	134 Å²	134	74%	0.742	78%	0.779	S	S	*	*			trans	80.8	96.6	155.1	49.3	0	0	0	0	121.2
1213	Q	31.3	Very low	33.7	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	79%	0.79	S	S	*	*				47.7	122.1	107	-161.4	-177.9	13.2	0	0	120.5
1214	E	33	Very low	33.6	Very low	159 Å²	159	137.3 Å²	137.3	74%	0.743	78%	0.783	S	S	*	*				165.3	164.5	120.6	-93.3	-143.3	93.8	0	0	115.4
1215	M	34.4	Very low	34	Very low	148 Å²	148	138.1 Å²	138.1	73%	0.729	79%	0.788	S	S	*	*			trans	71.1	141.8	163	-67.6	-179.6	90.6	0	0	121
1216	Q	35.8	Very low	33.9	Very low	136 Å²	136	137.1 Å²	137.1	64%	0.636	79%	0.791	S	S	*	*			cis	-172.3	166.7	-27.3	-131.6	169.2	30.2	0	0	112.6
1217	Q	34.7	Very low	33.7	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	82%	0.818	S	S	*	*			trans	71.8	139.7	168	-60.7	167.2	33.7	0	0	116.5
1218	A	35.3	Very low	33.7	Very low	98 Å²	98	140.7 Å²	140.7	81%	0.81	82%	0.819	S	S	*	*			cis	-155.5	169.4	-11.1	0	0	0	0	0	107.9
1219	A	35.2	Very low	33.8	Very low	102 Å²	102	142.3 Å²	142.3	84%	0.843	82%	0.821	S	S	*	*			cis	-142.6	172.3	13.5	0	0	0	0	0	112.4
1220	S	34.1	Very low	34.1	Very low	103 Å²	103	142.7 Å²	142.7	72%	0.72	82%	0.822	S	S	*	*			trans	-98.6	153.9	-170.3	56.3	0	0	0	0	114.7
1221	L	34.7	Very low	34.2	Very low	167 Å²	167	142.8 Å²	142.8	87%	0.874	82%	0.819	S	S	*	*				-164.9	121.8	114.1	-104.3	166.2	0	0	0	111.4
1222	T	32.4	Very low	34.5	Very low	119 Å²	119	141.2 Å²	141.2	73%	0.73	82%	0.819	S	S	*	*			trans	-103.9	155.7	172	48.8	0	0	0	0	110.3
1223	N	39.4	Very low	34.6	Very low	160 Å²	160	142.5 Å²	142.5	86%	0.856	82%	0.824	S	S	*	*			trans	-161.3	137.1	139.4	-99.9	-15.6	0	0	0	109.6
1224	D	34	Very low	34.8	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	82%	0.824	S	S	*	*			trans	-75	160.1	177	-43.9	-97.7	0	0	0	111.8
1225	V	38.9	Very low	34.9	Very low	141 Å²	141	138.6 Å²	138.6	86%	0.855	83%	0.83	S	S	*	*				-173.5	144.4	110.3	146.9	0	0	0	0	109.5
1226	S	32	Very low	35	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	84%	0.838	S	S	*	*			trans	-72.5	136.1	-177.7	53.6	0	0	0	0	114.9
1227	S	33.2	Very low	34.9	Very low	192 Å²	192	138 Å²	138	100%	1.343	86%	0.857	S	S	*	*			trans	-150.5	0	139.1	65.6	0	0	0	0	109.4

Retrieved 1,227 of 1,227 residues in 325.3 ms (Link to these results)

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