G4VTG8_SCHMA Loading...

Enoyl-CoA hydratase-related

AlphaFold DB , UniProt , Accession G4VTG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,015 aa.

						>G4VTG8_SCHMA|G4VTG8
MKQSESEEHNIYLVDSIIDRRVRRGRVEYRVRWKGFPPEQDSWEPFTSLREPCLSLIQDFHIRYRKLHRGKRRYSLPLVSRSKLLRCETDEFHDMSVKLEKDSDDDLAADKSSISSTKSQPPPLPFKSGKRNTVRPTSRRSAPSSVALSSTSFFSLQPGTYSGHSSSFPSSESSVSQTPLVCDSDALLNIQTLNRSDHTMHPDNGWVPCEVSGDSTGSLSSPNTIQIENDCKVPTNKVPVVGLSKGNCGDTSQRLQKTSRSLPDQSNRNTPKSTRRKSQPNNGAFQRNDSVSVNPQVSQNLLKGDKNVGDFTTSDTQENSLLGQTRKSVTIMLKASPTHEFQSTRSLHRSNSPNSKSLPNTVSKLVSKKRVQPTSVTSKTELDVDASESLPSCEDQSPISDSIMSKVMNIVVHLKNLRRRPVQELVLALCQKHHSIPESLVLSSLDILVTRGHLHRVESAKGISYRSNPFVVARGDLKKPASLSAKIKAKYNGGMNGKRPKCTTSAVPESKRPNSVEPPSHSSSKIARTDPTTNVHQRSSRRSVTNGSIASQKSNTHCSCYSDINGKIYLNQSSVIVDDVQVNQDHTIHIDGDYSMSVKSPPNILQQGTKIFIVPPASPLNETTFESQMNNLPFHRSEQPNQSSCNNLSSTSGSNLDSSSMPQTNSRRSNRQTDVYKFKSIWVKKNVQGGFTEVWLQSPGSFLKNGFTIQVLEELTIVLNRATYDTSRLIMISGTGTVFSSGIDLTIITGDLLRSAFINPSSCDSFRSSSSNAANVSASRNSNHHKIGADNSKSHHSDNANCSFSQPNYDSNLNSSSHRNANRVHSFFCSPNPSNVGRLAAALRSFLLALVSFPKPVVVGVNGPALGLAVAILPLCDIVYISDSATFYMPYTRLGQIPEGASTYTLNSLVGMPLANELLLAGRKLSAREALQRGLASDLLFPKSFKQELLLRCRKLAENSCMSLEITKCMMKMQHRERIEYVINAECKKLLECWQTAEFRCTAMEFILNEMDDFV
					

Structure Viewer

Loading PAE data...

(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	31.9	Very low	38.7	Very low	241 Å²	241	161.4 Å²	161.4	100%	1.187	81%	0.81	S	S	*	*				0	118.2	0	-62.2	173.6	176.1	0	0	108.3
2	K	33.5	Very low	41.9	Very low	209 Å²	209	157.9 Å²	157.9	91%	0.909	78%	0.781	S	S	*	*			cis	-90.9	155	-7.4	-63.5	-177.5	177	-174.1	0	111.1
3	Q	25.3	Very low	45.1	Very low	183 Å²	183	154.5 Å²	154.5	86%	0.855	77%	0.767	S	S	*	*			trans	-117.4	-175	161.1	-87.5	172.8	-61.4	0	0	107.3
4	S	31	Very low	48.1	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	72%	0.724	S	S	*	*			trans	78.4	141.5	176	101.8	0	0	0	0	115.7
5	E	32.7	Very low	50.8	Low	172 Å²	172	140.8 Å²	140.8	80%	0.804	70%	0.703	S	S	*	*			cis	-110.1	157.6	-14.4	-83.8	93.2	-122.9	0	0	111.5
6	S	33.3	Very low	53.3	Low	109 Å²	109	133.5 Å²	133.5	76%	0.762	67%	0.669	S	S	*	*			trans	-92.1	115.6	167.8	47.6	0	0	0	0	110	E8	S6-E8 PolarHBondContact O-N 2.9Å; S6-E8 VanDerWaalsContact O-N 3.11Å
7	E	34	Very low	55.7	Low	173 Å²	173	125.8 Å²	125.8	81%	0.808	63%	0.631	S	S	*	*			trans	-69.3	102.5	173.3	-66.7	179.6	158.4	0	0	110.5	H9	E7-H9 PolarHBondContact O-N 2.75Å; E7-H9 PolarHBondContact O-ND1 3.07Å
8	E	35.7	Very low	57.6	Low	164 Å²	164	122.2 Å²	122.2	77%	0.766	61%	0.613	S	S	*	*			trans	-61.3	125.4	168.4	-67.7	-173.5	131.5	0	0	109.7	S6 N10	S6-E8 PolarHBondContact O-N 2.9Å; S6-E8 VanDerWaalsContact O-N 3.11Å; E8-N10 PolarHBondContact O-N 3Å
9	H	42.6	Very low	59.3	Low	165 Å²	165	119.1 Å²	119.1	76%	0.764	60%	0.599	S	S	*	*			trans	-78.9	73.3	-178.7	-73.4	-3.2	0	0	0	111	E7 I11	E7-H9 PolarHBondContact O-N 2.75Å; E7-H9 PolarHBondContact O-ND1 3.07Å; H9-I11 PolarHBondContact O-N 2.96Å
10	N	58	Low	60.9	Low	98 Å²	98	115.4 Å²	115.4	52%	0.524	58%	0.577	S	S	.	*			trans	-55.3	117.4	173.6	-72.9	-16.4	0	0	0	110.8	E8 Y12	E8-N10 PolarHBondContact O-N 3Å; N10-Y12 HydrophobicContact CB-CD2 4.26Å; N10-Y12 HydrophobicContact CB-CE1 4.37Å; N10-Y12 HydrophobicContact CB-CE2 3.51Å; N10-Y12 PolarHBondContact ND2-OH 3.1Å; N10-Y12 WeakPolarHBondContact O-CD2 3.15Å; N10-Y12 WeakPolarHBondContact O-CE2 3.33Å; N10-Y12 PolarHBondContact O-N 2.94Å
11	I	67.8	Low	62.3	Low	160 Å²	160	113.1 Å²	113.1	82%	0.821	56%	0.562	S	S	*	*			trans	-85.6	96.4	-179.4	-56	178.3	0	0	0	108.7	H9	H9-I11 PolarHBondContact O-N 2.96Å
12	Y	77.3	Confident	65	Low	120 Å²	120	105.8 Å²	105.8	47%	0.471	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-83.6	128.8	175.9	-58.6	-81.2	0	0	0	111.2	N10 F36	N10-Y12 HydrophobicContact CB-CD2 4.26Å; N10-Y12 HydrophobicContact CB-CE1 4.37Å; N10-Y12 HydrophobicContact CB-CE2 3.51Å; N10-Y12 PolarHBondContact ND2-OH 3.1Å; N10-Y12 WeakPolarHBondContact O-CD2 3.15Å; N10-Y12 WeakPolarHBondContact O-CE2 3.33Å; N10-Y12 PolarHBondContact O-N 2.94Å; Y12-F36 HydrophobicContact CD1-CE2 4.04Å; Y12-F36 HydrophobicContact CD1-CZ 4.01Å; Y12-F36 HydrophobicContact CE1-CZ 4.04Å
13	L	83	Confident	67.2	Low	113 Å²	113	103.1 Å²	103.1	59%	0.592	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-77.3	132.5	174.9	-68.1	177.3	0	0	0	110.8	K34	L13-K34 HydrophobicContact CB-CB 3.92Å; L13-K34 HydrophobicContact CB-CD 4.36Å; L13-K34 HydrophobicContact CD1-CD 4.27Å; L13-K34 PolarHBondContact O-N 2.98Å
14	V	87.2	Confident	69.8	Low	27 Å²	27	106.7 Å²	106.7	16%	0.164	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.4	172.2	179.9	0	0	0	0	109.5	I17 V31 W33 L49 L56	V14-I17 HydrophobicContact CG1-CD1 4.3Å; V14-V31 HydrophobicContact CB-CG1 4.26Å; V14-V31 HydrophobicContact CG1-CG1 3.71Å; V14-V31 HydrophobicContact CG2-CG1 3.7Å; V14-W33 HydrophobicContact CG2-CE3 4.04Å; V14-W33 HydrophobicContact CG2-CH2 4.47Å; V14-W33 HydrophobicContact CG2-CZ3 3.69Å; V14-L49 HydrophobicContact CG2-CD2 4.24Å; V14-L56 HydrophobicContact CB-CD1 4.12Å; V14-L56 HydrophobicContact CG1-CD1 3.66Å
15	D	88.9	Confident	72.1	Confident	77 Å²	77	105.3 Å²	105.3	41%	0.412	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-55.9	170.8	162.8	84.6	0	0	0	110.5	R32 K34	D15-R32 HydrophobicContact CB-CB 4.16Å; D15-R32 HydrophobicContact CB-CG 4.02Å; D15-R32 PolarHBondContact N-O 3.49Å; D15-R32 WeakPolarHBondContact OD2-CG 3.48Å; D15-K34 HydrophobicContact CB-CB 4.06Å
16	S	90.8	Very high	74.3	Confident	24 Å²	24	105.7 Å²	105.7	17%	0.168	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	152.8	-175.5	58.7	0	0	0	0	113.3	R32	S16-R32 PolarHBondContact O-N 2.92Å
17	I	93.3	Very high	76.9	Confident	2 Å²	2	102 Å²	102	1%	0.01	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.6	172	-58.5	-65.7	0	0	0	108.7	V14 Y29 V31 L49 L56 I57 F60 R63	V14-I17 HydrophobicContact CG1-CD1 4.3Å; I17-Y29 HydrophobicContact CG2-CD1 3.78Å; I17-Y29 HydrophobicContact CG2-CG 4.27Å; I17-V31 HydrophobicContact CD1-CG2 4.12Å; I17-L49 HydrophobicContact CD1-CD1 3.76Å; I17-L56 HydrophobicContact CG1-CB 3.92Å; I17-I57 HydrophobicContact CD1-CG1 4.3Å; I17-I57 HydrophobicContact CG1-CG1 3.98Å; I17-F60 HydrophobicContact CB-CB 3.85Å; I17-F60 HydrophobicContact CB-CG 4.27Å; I17-F60 HydrophobicContact CG2-CB 3.73Å; I17-F60 HydrophobicContact CG2-CD1 3.97Å; I17-F60 HydrophobicContact CG2-CD2 4.05Å; I17-F60 HydrophobicContact CG2-CG 3.62Å; I17-R63 PolarHBondContact O-NH2 3.47Å
18	I	90.9	Very high	79.7	Confident	61 Å²	61	95.2 Å²	95.2	31%	0.313	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-45.1	-169.7	-56.6	156.9	0	0	0	112.2	R30 R32 D41 F60	I18-R30 HydrophobicContact CB-CB 4.29Å; I18-R30 HydrophobicContact CB-CG 4.42Å; I18-R30 HydrophobicContact CD1-CG 4.14Å; I18-R30 PolarHBondContact N-O 3.33Å; I18-R32 HydrophobicContact CD1-CB 3.99Å; I18-R32 HydrophobicContact CG1-CB 4.4Å; I18-D41 HydrophobicContact CD1-CB 4.01Å; I18-D41 WeakPolarHBondContact CD1-OD1 3.44Å; I18-D41 WeakPolarHBondContact CD1-OD2 3.19Å; I18-F60 VanDerWaalsContact O-CE2 3.27Å; I18-F60 WeakPolarHBondContact O-CE2 3.28Å
19	D	90.1	Very high	82.4	Confident	63 Å²	63	87.4 Å²	87.4	34%	0.337	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	169	-170.7	-169.3	18.4	0	0	0	111.3	Y29 R30 W43	D19-Y29 CarbonylContact O-C 3.57Å; D19-Y29 VanDerWaalsContact O-CA 3.31Å; D19-Y29 WeakPolarHBondContact O-CA 3.49Å; D19-R30 HydrophobicContact CB-CB 3.94Å; D19-R30 PolarHBondContact O-N 3.36Å; D19-W43 HydrophobicContact CB-CH2 3.86Å; D19-W43 HydrophobicContact CB-CZ2 4.34Å; D19-W43 VanDerWaalsContact OD2-CH2 3.31Å; D19-W43 WeakPolarHBondContact OD2-CH2 3.36Å
20	R	90.7	Very high	84.9	Confident	45 Å²	45	83.5 Å²	83.5	17%	0.17	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	124.6	-178.5	179.6	-164.5	167.2	-85.3	8.2	112.4	V27 E28 Y29 F60 Y74	R20-V27 HydrophobicContact CG-CG1 3.81Å; R20-E28 WeakPolarHBondContact CA-O 3.38Å; R20-Y29 HydrophobicContact CB-CD1 3.72Å; R20-Y29 HydrophobicContact CB-CE1 3.9Å; R20-Y29 HydrophobicContact CG-CD1 3.75Å; R20-Y29 HydrophobicContact CG-CE1 3.56Å; R20-Y29 HydrophobicContact CG-CG 4.45Å; R20-F60 HydrophobicContact CB-CE1 3.52Å; R20-F60 HydrophobicContact CB-CZ 3.7Å; R20-F60 HydrophobicContact CG-CE1 4.48Å; R20-Y74 WeakPolarHBondContact CD-OH 3.37Å; R20-Y74 PolarHBondContact NE-OH 3.03Å
21	R	89.9	Confident	86.5	Confident	69 Å²	69	78.9 Å²	78.9	26%	0.26	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	170.6	175.9	74.5	-169	-174.3	-152.8	-5	112.1	E28 W43	R21-E28 HydrophobicContact CG-CB 3.96Å; R21-E28 IonicContact CZ-OE2 3.32Å; R21-E28 PolarHBondContact N-O 3.42Å; R21-E28 IonicContact NE-OE2 3.57Å; R21-E28 PolarHBondContact NE-OE2 3.21Å; R21-E28 IonicContact NH2-OE2 2.73Å; R21-E28 PolarHBondContact NH2-OE2 2.96Å; R21-E28 PolarHBondContact O-N 3.22Å; R21-W43 HydrophobicContact CB-CH2 3.98Å; R21-W43 HydrophobicContact CB-CZ3 3.8Å; R21-W43 HydrophobicContact CG-CE3 3.74Å; R21-W43 HydrophobicContact CG-CH2 3.97Å; R21-W43 HydrophobicContact CG-CZ3 3.43Å; R21-W43 VanDerWaalsContact CG-CZ3 3.43Å; R21-W43 VanDerWaalsContact NH1-CD1 3.25Å; R21-W43 VanDerWaalsContact NH1-CE2 3.26Å
22	V	89.4	Confident	87.7	Confident	87 Å²	87	74.8 Å²	74.8	53%	0.527	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	112.7	171.8	-177.2	0	0	0	0	108.5	R26 V27	V22-R26 CarbonylContact C-O 3.53Å; V22-R26 VanDerWaalsContact CA-O 3.29Å; V22-R26 WeakPolarHBondContact CA-O 3.42Å; V22-V27 HydrophobicContact CG2-CG2 4.44Å
23	R	79.5	Confident	88.4	Confident	153 Å²	153	71.1 Å²	71.1	58%	0.577	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.8	179	-103.1	-174.3	169.2	-169.5	-3.2	109.6	G25 R26 E28	R23-G25 PolarHBondContact O-N 2.87Å; R23-R26 PolarHBondContact N-O 3.18Å; R23-R26 PolarHBondContact O-N 3.08Å; R23-E28 VanDerWaalsContact CB-OE1 3.27Å; R23-E28 WeakPolarHBondContact CB-OE1 3.37Å; R23-E28 WeakPolarHBondContact CD-OE2 3.42Å
24	R	79.4	Confident	88.6	Confident	257 Å²	257	72 Å²	72	97%	0.97	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	34.7	-179	-60.9	-178.8	175.1	175.3	-1.3	114	R26	R24-R26 VanDerWaalsContact C-N 3.3Å; R24-R26 PolarHBondContact O-N 2.85Å
25	G	79	Confident	88.6	Confident	72 Å²	72	74.8 Å²	74.8	74%	0.742	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-3.5	-178.2	0	0	0	0	0	115.9	R23	R23-G25 PolarHBondContact O-N 2.87Å
26	R	79.8	Confident	88.5	Confident	181 Å²	181	75.2 Å²	75.2	68%	0.683	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	146.4	172.2	-60.2	-177.9	179.9	-175.6	-1.6	110	V22 R23 R24	V22-R26 CarbonylContact C-O 3.53Å; V22-R26 VanDerWaalsContact CA-O 3.29Å; V22-R26 WeakPolarHBondContact CA-O 3.42Å; R23-R26 PolarHBondContact N-O 3.18Å; R23-R26 PolarHBondContact O-N 3.08Å; R24-R26 VanDerWaalsContact C-N 3.3Å; R24-R26 PolarHBondContact O-N 2.85Å
27	V	88.2	Confident	88.2	Confident	32 Å²	32	76.9 Å²	76.9	19%	0.194	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.3	171.9	-177.8	0	0	0	0	108.4	R20 V22 Y29 F46	R20-V27 HydrophobicContact CG-CG1 3.81Å; V22-V27 HydrophobicContact CG2-CG2 4.44Å; V27-Y29 HydrophobicContact CG1-CD2 4.28Å; V27-Y29 HydrophobicContact CG1-CE2 3.67Å; V27-F46 HydrophobicContact CB-CB 4.39Å; V27-F46 PolarHBondContact O-N 2.88Å
28	E	91.9	Very high	87.8	Confident	30 Å²	30	79.5 Å²	79.5	14%	0.14	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.9	177	-67.9	163.3	-160.3	0	0	108	R20 R21 R23 W43 E44	R20-E28 WeakPolarHBondContact CA-O 3.38Å; R21-E28 HydrophobicContact CG-CB 3.96Å; R21-E28 IonicContact CZ-OE2 3.32Å; R21-E28 PolarHBondContact N-O 3.42Å; R21-E28 IonicContact NE-OE2 3.57Å; R21-E28 PolarHBondContact NE-OE2 3.21Å; R21-E28 IonicContact NH2-OE2 2.73Å; R21-E28 PolarHBondContact NH2-OE2 2.96Å; R21-E28 PolarHBondContact O-N 3.22Å; R23-E28 VanDerWaalsContact CB-OE1 3.27Å; R23-E28 WeakPolarHBondContact CB-OE1 3.37Å; R23-E28 WeakPolarHBondContact CD-OE2 3.42Å; E28-W43 HydrophobicContact CB-CE3 4.21Å; E28-E44 CarbonylContact C-O 3.6Å; E28-E44 VanDerWaalsContact CA-O 3.28Å; E28-E44 WeakPolarHBondContact CA-O 3.19Å
29	Y	93.4	Very high	87.6	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.3	177.5	-64.9	-90.8	0	0	0	109.8	I17 D19 R20 V27 W43 E44 F46 L49 I57 F60 H61	I17-Y29 HydrophobicContact CG2-CD1 3.78Å; I17-Y29 HydrophobicContact CG2-CG 4.27Å; D19-Y29 CarbonylContact O-C 3.57Å; D19-Y29 VanDerWaalsContact O-CA 3.31Å; D19-Y29 WeakPolarHBondContact O-CA 3.49Å; R20-Y29 HydrophobicContact CB-CD1 3.72Å; R20-Y29 HydrophobicContact CB-CE1 3.9Å; R20-Y29 HydrophobicContact CG-CD1 3.75Å; R20-Y29 HydrophobicContact CG-CE1 3.56Å; R20-Y29 HydrophobicContact CG-CG 4.45Å; V27-Y29 HydrophobicContact CG1-CD2 4.28Å; V27-Y29 HydrophobicContact CG1-CE2 3.67Å; Y29-W43 CarbonylContact O-C 3.23Å; Y29-W43 VanDerWaalsContact O-CA 3.31Å; Y29-W43 WeakPolarHBondContact O-CA 3.43Å; Y29-E44 PolarHBondContact N-O 3.22Å; Y29-E44 PolarHBondContact O-N 3.21Å; Y29-F46 HydrophobicContact CD2-CB 4.42Å; Y29-F46 HydrophobicContact CE2-CB 3.93Å; Y29-F46 AromaticContact CE2-CD2 3.71Å; Y29-F46 HydrophobicContact CE2-CD2 3.71Å; Y29-F46 HydrophobicContact CE2-CG 4.14Å; Y29-L49 HydrophobicContact CD2-CD1 4.24Å; Y29-L49 HydrophobicContact CG-CD1 4.39Å; Y29-I57 HydrophobicContact CD2-CD1 4.4Å; Y29-I57 HydrophobicContact CE1-CG2 3.99Å; Y29-I57 HydrophobicContact CE2-CD1 4.24Å; Y29-I57 HydrophobicContact CE2-CG2 4.48Å; Y29-F60 HydrophobicContact CD1-CD1 4.26Å; Y29-F60 HydrophobicContact CD1-CE1 4.29Å; Y29-F60 HydrophobicContact CE1-CD1 4.15Å; Y29-F60 HydrophobicContact CE1-CE1 4.2Å; Y29-H61 AromaticContact CE1-NE2 3.63Å; Y29-H61 AromaticContact CZ-NE2 3.95Å; Y29-H61 PolarHBondContact OH-CE1 3.33Å; Y29-H61 VanDerWaalsContact OH-CE1 3.24Å; Y29-H61 PolarHBondContact OH-NE2 2.9Å
30	R	94.2	Very high	87.5	Confident	83 Å²	83	86.3 Å²	86.3	31%	0.313	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124	171	-168.3	178.6	170.3	170.9	-5.5	108.8	I18 D19 P38 D41 S42 W43	I18-R30 HydrophobicContact CB-CB 4.29Å; I18-R30 HydrophobicContact CB-CG 4.42Å; I18-R30 HydrophobicContact CD1-CG 4.14Å; I18-R30 PolarHBondContact N-O 3.33Å; D19-R30 HydrophobicContact CB-CB 3.94Å; D19-R30 PolarHBondContact O-N 3.36Å; R30-P38 PolarHBondContact NH2-O 2.77Å; R30-D41 HydrophobicContact CG-CB 4.02Å; R30-D41 IonicContact CZ-OD2 3.42Å; R30-D41 IonicContact NE-OD2 3.24Å; R30-D41 PolarHBondContact NE-OD2 2.93Å; R30-D41 IonicContact NH2-OD2 3.31Å; R30-D41 PolarHBondContact NH2-OD2 2.86Å; R30-S42 VanDerWaalsContact CA-O 3.31Å; R30-S42 WeakPolarHBondContact CA-O 3.31Å; R30-W43 HydrophobicContact CB-CD2 3.83Å; R30-W43 HydrophobicContact CB-CE3 3.98Å; R30-W43 HydrophobicContact CB-CH2 3.9Å; R30-W43 HydrophobicContact CB-CZ2 3.74Å; R30-W43 HydrophobicContact CB-CZ3 3.98Å; R30-W43 HydrophobicContact CG-CD2 4.29Å; R30-W43 HydrophobicContact CG-CZ2 4.25Å
31	V	92.7	Very high	87.5	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127	-169.3	-174.7	0	0	0	0	108.9	V14 I17 W33 D41 S42 E44 L49	V14-V31 HydrophobicContact CB-CG1 4.26Å; V14-V31 HydrophobicContact CG1-CG1 3.71Å; V14-V31 HydrophobicContact CG2-CG1 3.7Å; I17-V31 HydrophobicContact CD1-CG2 4.12Å; V31-W33 HydrophobicContact CB-CZ2 4.26Å; V31-W33 HydrophobicContact CG1-CD2 3.88Å; V31-W33 HydrophobicContact CG1-CE3 4Å; V31-W33 HydrophobicContact CG1-CH2 4.07Å; V31-W33 HydrophobicContact CG1-CZ2 3.91Å; V31-W33 HydrophobicContact CG1-CZ3 4.09Å; V31-D41 CarbonylContact O-C 3.36Å; V31-D41 WeakPolarHBondContact O-CA 3.37Å; V31-S42 PolarHBondContact N-O 3.08Å; V31-S42 PolarHBondContact O-N 3.33Å; V31-E44 HydrophobicContact CB-CG 4.46Å; V31-E44 HydrophobicContact CG2-CB 3.85Å; V31-E44 HydrophobicContact CG2-CG 3.73Å; V31-L49 HydrophobicContact CG2-CD1 3.6Å; V31-L49 HydrophobicContact CG2-CD2 3.99Å; V31-L49 HydrophobicContact CG2-CG 4.34Å
32	R	92	Very high	87.6	Confident	75 Å²	75	83 Å²	83	28%	0.283	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.3	161.7	-169.4	145.1	-69.1	167.9	3.4	108.9	D15 S16 I18 D41	D15-R32 HydrophobicContact CB-CB 4.16Å; D15-R32 HydrophobicContact CB-CG 4.02Å; D15-R32 PolarHBondContact N-O 3.49Å; D15-R32 WeakPolarHBondContact OD2-CG 3.48Å; S16-R32 PolarHBondContact O-N 2.92Å; I18-R32 HydrophobicContact CD1-CB 3.99Å; I18-R32 HydrophobicContact CG1-CB 4.4Å; R32-D41 WeakPolarHBondContact CA-OD1 3.46Å; R32-D41 IonicContact CZ-OD1 2.67Å; R32-D41 IonicContact CZ-OD2 3.48Å; R32-D41 IonicContact NE-OD1 3.35Å; R32-D41 PolarHBondContact NE-OD1 2.94Å; R32-D41 IonicContact NE-OD2 3.84Å; R32-D41 IonicContact NH2-OD1 2.67Å; R32-D41 PolarHBondContact NH2-OD1 3.21Å; R32-D41 IonicContact NH2-OD2 2.8Å; R32-D41 PolarHBondContact NH2-OD2 3.4Å
33	W	91.2	Very high	87.8	Confident	42 Å²	42	82 Å²	82	16%	0.159	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.4	177.3	-58.1	107.3	0	0	0	109.9	V14 V31 G35 F36 S42 E44	V14-W33 HydrophobicContact CG2-CE3 4.04Å; V14-W33 HydrophobicContact CG2-CH2 4.47Å; V14-W33 HydrophobicContact CG2-CZ3 3.69Å; V31-W33 HydrophobicContact CB-CZ2 4.26Å; V31-W33 HydrophobicContact CG1-CD2 3.88Å; V31-W33 HydrophobicContact CG1-CE3 4Å; V31-W33 HydrophobicContact CG1-CH2 4.07Å; V31-W33 HydrophobicContact CG1-CZ2 3.91Å; V31-W33 HydrophobicContact CG1-CZ3 4.09Å; W33-G35 PolarHBondContact O-N 2.73Å; W33-F36 HydrophobicContact CB-CB 4.01Å; W33-F36 HydrophobicContact CB-CD2 3.52Å; W33-F36 HydrophobicContact CB-CE2 4.32Å; W33-F36 HydrophobicContact CB-CG 4.01Å; W33-F36 PolarHBondContact O-N 3.31Å; W33-F36 VanDerWaalsContact O-N 3.1Å; W33-S42 WeakPolarHBondContact CZ2-OG 3.42Å; W33-S42 PolarHBondContact NE1-OG 3.07Å; W33-E44 HydrophobicContact CH2-CG 4.01Å; W33-E44 HydrophobicContact CZ2-CG 3.65Å
34	K	87.8	Confident	88.3	Confident	133 Å²	133	76.9 Å²	76.9	58%	0.578	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	122.5	-176.6	-170.7	176.7	-179.5	177.8	0	109.6	L13 D15	L13-K34 HydrophobicContact CB-CB 3.92Å; L13-K34 HydrophobicContact CB-CD 4.36Å; L13-K34 HydrophobicContact CD1-CD 4.27Å; L13-K34 PolarHBondContact O-N 2.98Å; D15-K34 HydrophobicContact CB-CB 4.06Å
35	G	87.1	Confident	88.7	Confident	85 Å²	85	66.6 Å²	66.6	88%	0.876	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-0.8	-175.5	0	0	0	0	0	115.3	W33	W33-G35 PolarHBondContact O-N 2.73Å
36	F	87	Confident	89.1	Confident	85 Å²	85	65.3 Å²	65.3	37%	0.373	33%	0.325	S	S	.	.	S	Bend	trans	-109.1	149	176.4	-64.6	-94.8	0	0	0	111.2	Y12 W33 Q40	Y12-F36 HydrophobicContact CD1-CE2 4.04Å; Y12-F36 HydrophobicContact CD1-CZ 4.01Å; Y12-F36 HydrophobicContact CE1-CZ 4.04Å; W33-F36 HydrophobicContact CB-CB 4.01Å; W33-F36 HydrophobicContact CB-CD2 3.52Å; W33-F36 HydrophobicContact CB-CE2 4.32Å; W33-F36 HydrophobicContact CB-CG 4.01Å; W33-F36 PolarHBondContact O-N 3.31Å; W33-F36 VanDerWaalsContact O-N 3.1Å; F36-Q40 HydrophobicContact CB-CB 4.41Å
37	P	85.5	Confident	89.2	Confident	59 Å²	59	61.6 Å²	61.6	38%	0.383	32%	0.322	S	S	.	.			trans	-78.2	156.7	-178.6	35.5	-37.9	0	0	0	111.8	E39 Q40	P37-E39 WeakPolarHBondContact CB-OE2 3.42Å; P37-E39 PolarHBondContact O-N 3.13Å; P37-Q40 HydrophobicContact CG-CG 4.23Å; P37-Q40 PolarHBondContact O-N 3.29Å
38	P	84.5	Confident	88.9	Confident	58 Å²	58	63.7 Å²	63.7	38%	0.377	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-55.1	-22.9	-172.3	-30	38.6	0	0	0	116.6	R30 Q40 D41	R30-P38 PolarHBondContact NH2-O 2.77Å; P38-Q40 PolarHBondContact O-N 2.89Å; P38-D41 WeakPolarHBondContact O-CB 3.21Å; P38-D41 PolarHBondContact O-N 3.21Å
39	E	86.4	Confident	88.4	Confident	158 Å²	158	62.5 Å²	62.5	74%	0.738	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.1	178	-61.8	64.7	-137.3	0	0	111.5	P37	P37-E39 WeakPolarHBondContact CB-OE2 3.42Å; P37-E39 PolarHBondContact O-N 3.13Å
40	Q	87.2	Confident	87.4	Confident	109 Å²	109	69.6 Å²	69.6	51%	0.509	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-95.5	9.3	178.1	-56.4	-169	38.9	0	0	113.4	F36 P37 P38 S42	F36-Q40 HydrophobicContact CB-CB 4.41Å; P37-Q40 HydrophobicContact CG-CG 4.23Å; P37-Q40 PolarHBondContact O-N 3.29Å; P38-Q40 PolarHBondContact O-N 2.89Å; Q40-S42 PolarHBondContact O-N 3.07Å
41	D	91.6	Very high	86.3	Confident	13 Å²	13	71.2 Å²	71.2	7%	0.07	37%	0.371	C	S	.	.			trans	-60.3	102	175.4	-67	-31.7	0	0	0	111.3	I18 R30 V31 R32 P38	I18-D41 HydrophobicContact CD1-CB 4.01Å; I18-D41 WeakPolarHBondContact CD1-OD1 3.44Å; I18-D41 WeakPolarHBondContact CD1-OD2 3.19Å; R30-D41 HydrophobicContact CG-CB 4.02Å; R30-D41 IonicContact CZ-OD2 3.42Å; R30-D41 IonicContact NE-OD2 3.24Å; R30-D41 PolarHBondContact NE-OD2 2.93Å; R30-D41 IonicContact NH2-OD2 3.31Å; R30-D41 PolarHBondContact NH2-OD2 2.86Å; V31-D41 CarbonylContact O-C 3.36Å; V31-D41 WeakPolarHBondContact O-CA 3.37Å; R32-D41 WeakPolarHBondContact CA-OD1 3.46Å; R32-D41 IonicContact CZ-OD1 2.67Å; R32-D41 IonicContact CZ-OD2 3.48Å; R32-D41 IonicContact NE-OD1 3.35Å; R32-D41 PolarHBondContact NE-OD1 2.94Å; R32-D41 IonicContact NE-OD2 3.84Å; R32-D41 IonicContact NH2-OD1 2.67Å; R32-D41 PolarHBondContact NH2-OD1 3.21Å; R32-D41 IonicContact NH2-OD2 2.8Å; R32-D41 PolarHBondContact NH2-OD2 3.4Å; P38-D41 WeakPolarHBondContact O-CB 3.21Å; P38-D41 PolarHBondContact O-N 3.21Å
42	S	92.2	Very high	85.3	Confident	31 Å²	31	76.3 Å²	76.3	22%	0.217	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	179.5	-177	80.5	0	0	0	0	112.7	R30 V31 W33 Q40 E44	R30-S42 VanDerWaalsContact CA-O 3.31Å; R30-S42 WeakPolarHBondContact CA-O 3.31Å; V31-S42 PolarHBondContact N-O 3.08Å; V31-S42 PolarHBondContact O-N 3.33Å; W33-S42 WeakPolarHBondContact CZ2-OG 3.42Å; W33-S42 PolarHBondContact NE1-OG 3.07Å; Q40-S42 PolarHBondContact O-N 3.07Å; S42-E44 WeakPolarHBondContact CB-OE1 3.45Å; S42-E44 PolarHBondContact OG-OE1 3.06Å
43	W	93.5	Very high	84.7	Confident	65 Å²	65	73.4 Å²	73.4	25%	0.246	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	86.8	-178.6	-83.6	92.6	0	0	0	111.7	D19 R21 E28 Y29 R30	D19-W43 HydrophobicContact CB-CH2 3.86Å; D19-W43 HydrophobicContact CB-CZ2 4.34Å; D19-W43 VanDerWaalsContact OD2-CH2 3.31Å; D19-W43 WeakPolarHBondContact OD2-CH2 3.36Å; R21-W43 HydrophobicContact CB-CH2 3.98Å; R21-W43 HydrophobicContact CB-CZ3 3.8Å; R21-W43 HydrophobicContact CG-CE3 3.74Å; R21-W43 HydrophobicContact CG-CH2 3.97Å; R21-W43 HydrophobicContact CG-CZ3 3.43Å; R21-W43 VanDerWaalsContact CG-CZ3 3.43Å; R21-W43 VanDerWaalsContact NH1-CD1 3.25Å; R21-W43 VanDerWaalsContact NH1-CE2 3.26Å; E28-W43 HydrophobicContact CB-CE3 4.21Å; Y29-W43 CarbonylContact O-C 3.23Å; Y29-W43 VanDerWaalsContact O-CA 3.31Å; Y29-W43 WeakPolarHBondContact O-CA 3.43Å; R30-W43 HydrophobicContact CB-CD2 3.83Å; R30-W43 HydrophobicContact CB-CE3 3.98Å; R30-W43 HydrophobicContact CB-CH2 3.9Å; R30-W43 HydrophobicContact CB-CZ2 3.74Å; R30-W43 HydrophobicContact CB-CZ3 3.98Å; R30-W43 HydrophobicContact CG-CD2 4.29Å; R30-W43 HydrophobicContact CG-CZ2 4.25Å
44	E	89.7	Confident	84.4	Confident	46 Å²	46	72.3 Å²	72.3	22%	0.215	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.3	-174	-60.5	-47.7	123.3	0	0	113	E28 Y29 V31 W33 S42 L49	E28-E44 CarbonylContact C-O 3.6Å; E28-E44 VanDerWaalsContact CA-O 3.28Å; E28-E44 WeakPolarHBondContact CA-O 3.19Å; Y29-E44 PolarHBondContact N-O 3.22Å; Y29-E44 PolarHBondContact O-N 3.21Å; V31-E44 HydrophobicContact CB-CG 4.46Å; V31-E44 HydrophobicContact CG2-CB 3.85Å; V31-E44 HydrophobicContact CG2-CG 3.73Å; W33-E44 HydrophobicContact CH2-CG 4.01Å; W33-E44 HydrophobicContact CZ2-CG 3.65Å; S42-E44 WeakPolarHBondContact CB-OE1 3.45Å; S42-E44 PolarHBondContact OG-OE1 3.06Å; E44-L49 HydrophobicContact CB-CD1 3.99Å; E44-L49 HydrophobicContact CB-CD2 3.97Å; E44-L49 HydrophobicContact CB-CG 3.79Å; E44-L49 HydrophobicContact CG-CD2 4.24Å
45	P	88.5	Confident	84.2	Confident	41 Å²	41	69 Å²	69	27%	0.266	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	148	171.8	30.8	-34.1	0	0	0	110.1	T47 S48	P45-T47 PolarHBondContact O-N 3.2Å; P45-S48 WeakPolarHBondContact O-CB 3Å; P45-S48 PolarHBondContact O-N 3.29Å
46	F	86.2	Confident	84.3	Confident	46 Å²	46	67.1 Å²	67.1	20%	0.202	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-18.8	177.4	179.7	-118.7	0	0	0	114.6	V27 Y29 S48 I57 V79	V27-F46 HydrophobicContact CB-CB 4.39Å; V27-F46 PolarHBondContact O-N 2.88Å; Y29-F46 HydrophobicContact CD2-CB 4.42Å; Y29-F46 HydrophobicContact CE2-CB 3.93Å; Y29-F46 AromaticContact CE2-CD2 3.71Å; Y29-F46 HydrophobicContact CE2-CD2 3.71Å; Y29-F46 HydrophobicContact CE2-CG 4.14Å; F46-S48 VanDerWaalsContact C-N 3.34Å; F46-I57 HydrophobicContact CD2-CD1 4.05Å; F46-I57 HydrophobicContact CE2-CD1 4.09Å; F46-V79 HydrophobicContact CE1-CG2 4.36Å; F46-V79 HydrophobicContact CZ-CG2 3.76Å
47	T	82.8	Confident	84.5	Confident	103 Å²	103	63.3 Å²	63.3	63%	0.632	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.9	174	47.6	0	0	0	0	114	P45	P45-T47 PolarHBondContact O-N 3.2Å
48	S	81.7	Confident	84.5	Confident	76 Å²	76	64.5 Å²	64.5	53%	0.531	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-50.6	175.7	-157.6	0	0	0	0	110.3	P45 F46 R50	P45-S48 WeakPolarHBondContact O-CB 3Å; P45-S48 PolarHBondContact O-N 3.29Å; F46-S48 VanDerWaalsContact C-N 3.34Å; S48-R50 PolarHBondContact O-N 3Å
49	L	82.1	Confident	84.6	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	34%	0.342	C	S	.	.	S	Bend	trans	-79.8	56.1	-178.3	-52.4	178.1	0	0	0	113.2	V14 I17 Y29 V31 E44 C53 I57	V14-L49 HydrophobicContact CG2-CD2 4.24Å; I17-L49 HydrophobicContact CD1-CD1 3.76Å; Y29-L49 HydrophobicContact CD2-CD1 4.24Å; Y29-L49 HydrophobicContact CG-CD1 4.39Å; V31-L49 HydrophobicContact CG2-CD1 3.6Å; V31-L49 HydrophobicContact CG2-CD2 3.99Å; V31-L49 HydrophobicContact CG2-CG 4.34Å; E44-L49 HydrophobicContact CB-CD1 3.99Å; E44-L49 HydrophobicContact CB-CD2 3.97Å; E44-L49 HydrophobicContact CB-CG 3.79Å; E44-L49 HydrophobicContact CG-CD2 4.24Å; L49-C53 HydrophobicContact CB-CB 3.99Å; L49-I57 HydrophobicContact CB-CD1 3.9Å; L49-I57 HydrophobicContact CD1-CD1 4.45Å; L49-I57 WeakPolarHBondContact O-CD1 3.1Å
50	R	71.4	Confident	84.9	Confident	148 Å²	148	58.4 Å²	58.4	56%	0.558	31%	0.308	S	S	*	.			trans	-83.7	-121.4	-177.3	-87.3	-174.5	158.4	-168	-4.7	112.8	S48 C53 L54	S48-R50 PolarHBondContact O-N 3Å; R50-C53 PolarHBondContact O-N 2.84Å; R50-L54 PolarHBondContact O-N 2.82Å
51	E	72.2	Confident	84.9	Confident	118 Å²	118	53.7 Å²	53.7	55%	0.551	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-66.8	-30.2	-157.3	-66.4	178.8	176.5	0	0	115	L54 K83	E51-L54 HydrophobicContact CG-CD1 4.41Å; E51-K83 IonicContact OE1-NZ 3.54Å; E51-K83 PolarHBondContact OE1-NZ 3.35Å; E51-K83 IonicContact OE2-NZ 3.53Å; E51-K83 PolarHBondContact OE2-NZ 3.48Å
52	P	70.8	Confident	84.5	Confident	107 Å²	107	56.7 Å²	56.7	70%	0.695	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-81	-8.6	172.7	32.8	-36.1	0	0	0	115.2
53	C	79.5	Confident	84.2	Confident	13 Å²	13	61.8 Å²	61.8	9%	0.088	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-113.9	2.5	-175.2	-55.6	0	0	0	0	113.7	L49 R50 S55 L56 I57	L49-C53 HydrophobicContact CB-CB 3.99Å; R50-C53 PolarHBondContact O-N 2.84Å; C53-S55 VanDerWaalsContact C-N 3.3Å; C53-S55 PolarHBondContact O-N 3.28Å; C53-L56 PolarHBondContact O-N 3.24Å; C53-I57 WeakPolarHBondContact O-CG1 3.37Å; C53-I57 PolarHBondContact O-N 3.48Å; C53-I57 VanDerWaalsContact O-N 3.13Å
54	L	84.5	Confident	83.7	Confident	19 Å²	19	61.5 Å²	61.5	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-27.9	-174.2	-99.1	167	0	0	0	113.7	R50 E51 Q58 V79 L84	R50-L54 PolarHBondContact O-N 2.82Å; E51-L54 HydrophobicContact CG-CD1 4.41Å; L54-Q58 VanDerWaalsContact O-CG 3.26Å; L54-Q58 WeakPolarHBondContact O-CG 3.25Å; L54-Q58 PolarHBondContact O-N 3.26Å; L54-Q58 VanDerWaalsContact O-N 3.14Å; L54-Q58 PolarHBondContact O-NE2 2.98Å; L54-V79 HydrophobicContact CD1-CG1 4.18Å; L54-V79 HydrophobicContact CD2-CG1 4.37Å; L54-V79 HydrophobicContact CD2-CG2 4.29Å; L54-L84 HydrophobicContact CB-CD2 4.43Å
55	S	85.1	Confident	83.1	Confident	65 Å²	65	65.3 Å²	65.3	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-58.9	171.5	47.5	0	0	0	0	111.1	C53 I57 Q58 D59	C53-S55 VanDerWaalsContact C-N 3.3Å; C53-S55 PolarHBondContact O-N 3.28Å; S55-I57 PolarHBondContact O-N 3.04Å; S55-Q58 CarbonylContact O-C 3.46Å; S55-Q58 WeakPolarHBondContact O-CA 3.37Å; S55-Q58 WeakPolarHBondContact O-CB 3.44Å; S55-Q58 PolarHBondContact O-N 2.76Å; S55-D59 PolarHBondContact O-N 3.49Å
56	L	88.5	Confident	82.6	Confident	45 Å²	45	70.8 Å²	70.8	24%	0.236	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-33.7	-179.7	-59	178.1	0	0	0	113	V14 I17 C53 F60	V14-L56 HydrophobicContact CB-CD1 4.12Å; V14-L56 HydrophobicContact CG1-CD1 3.66Å; I17-L56 HydrophobicContact CG1-CB 3.92Å; C53-L56 PolarHBondContact O-N 3.24Å; L56-F60 WeakPolarHBondContact O-CB 3.27Å; L56-F60 PolarHBondContact O-N 3.47Å
57	I	89.9	Confident	82.1	Confident	4 Å²	4	75.6 Å²	75.6	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-68.3	-39.7	172.3	-69.4	171.3	0	0	0	111.4	I17 Y29 F46 L49 C53 S55 H61	I17-I57 HydrophobicContact CD1-CG1 4.3Å; I17-I57 HydrophobicContact CG1-CG1 3.98Å; Y29-I57 HydrophobicContact CD2-CD1 4.4Å; Y29-I57 HydrophobicContact CE1-CG2 3.99Å; Y29-I57 HydrophobicContact CE2-CD1 4.24Å; Y29-I57 HydrophobicContact CE2-CG2 4.48Å; F46-I57 HydrophobicContact CD2-CD1 4.05Å; F46-I57 HydrophobicContact CE2-CD1 4.09Å; L49-I57 HydrophobicContact CB-CD1 3.9Å; L49-I57 HydrophobicContact CD1-CD1 4.45Å; L49-I57 WeakPolarHBondContact O-CD1 3.1Å; C53-I57 WeakPolarHBondContact O-CG1 3.37Å; C53-I57 PolarHBondContact O-N 3.48Å; C53-I57 VanDerWaalsContact O-N 3.13Å; S55-I57 PolarHBondContact O-N 3.04Å; I57-H61 VanDerWaalsContact CG2-CE1 3.5Å; I57-H61 WeakPolarHBondContact CG2-CE1 3.35Å; I57-H61 WeakPolarHBondContact O-CB 3.36Å; I57-H61 PolarHBondContact O-N 2.93Å; I57-H61 PolarHBondContact O-ND1 2.9Å
58	Q	86.4	Confident	81.5	Confident	84 Å²	84	73.2 Å²	73.2	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-42.7	174.8	-76.3	173.1	79.4	0	0	111.9	L54 S55 H61 I62	L54-Q58 VanDerWaalsContact O-CG 3.26Å; L54-Q58 WeakPolarHBondContact O-CG 3.25Å; L54-Q58 PolarHBondContact O-N 3.26Å; L54-Q58 VanDerWaalsContact O-N 3.14Å; L54-Q58 PolarHBondContact O-NE2 2.98Å; S55-Q58 CarbonylContact O-C 3.46Å; S55-Q58 WeakPolarHBondContact O-CA 3.37Å; S55-Q58 WeakPolarHBondContact O-CB 3.44Å; S55-Q58 PolarHBondContact O-N 2.76Å; Q58-H61 CarbonylContact O-C 3.55Å; Q58-H61 WeakPolarHBondContact O-CA 3.48Å; Q58-H61 WeakPolarHBondContact O-CB 3.41Å; Q58-H61 PolarHBondContact O-N 2.95Å; Q58-I62 WeakPolarHBondContact O-CG1 3.14Å; Q58-I62 PolarHBondContact O-N 2.61Å
59	D	87.3	Confident	80.3	Confident	81 Å²	81	80.6 Å²	80.6	43%	0.433	37%	0.372	S	S	.	.	H	α-helix	trans	-66.8	-39.3	176.9	-71.6	-38.4	0	0	0	112.6	S55 H61 I62 R63	S55-D59 PolarHBondContact O-N 3.49Å; D59-H61 VanDerWaalsContact C-N 3.32Å; D59-H61 PolarHBondContact O-N 3.47Å; D59-I62 PolarHBondContact O-N 2.78Å; D59-R63 WeakPolarHBondContact O-CB 3.49Å; D59-R63 VanDerWaalsContact O-CG 3.3Å; D59-R63 WeakPolarHBondContact O-CG 3.45Å; D59-R63 PolarHBondContact O-N 2.92Å; D59-R63 PolarHBondContact O-NE 2.71Å
60	F	91.7	Very high	79	Confident	8 Å²	8	83.9 Å²	83.9	4%	0.035	41%	0.407	C	S	.	.	H	α-helix	trans	-56.7	-46.3	165.9	168.2	-98.9	0	0	0	111.1	I17 I18 R20 Y29 L56 I62 R63 Y64	I17-F60 HydrophobicContact CB-CB 3.85Å; I17-F60 HydrophobicContact CB-CG 4.27Å; I17-F60 HydrophobicContact CG2-CB 3.73Å; I17-F60 HydrophobicContact CG2-CD1 3.97Å; I17-F60 HydrophobicContact CG2-CD2 4.05Å; I17-F60 HydrophobicContact CG2-CG 3.62Å; I18-F60 VanDerWaalsContact O-CE2 3.27Å; I18-F60 WeakPolarHBondContact O-CE2 3.28Å; R20-F60 HydrophobicContact CB-CE1 3.52Å; R20-F60 HydrophobicContact CB-CZ 3.7Å; R20-F60 HydrophobicContact CG-CE1 4.48Å; Y29-F60 HydrophobicContact CD1-CD1 4.26Å; Y29-F60 HydrophobicContact CD1-CE1 4.29Å; Y29-F60 HydrophobicContact CE1-CD1 4.15Å; Y29-F60 HydrophobicContact CE1-CE1 4.2Å; L56-F60 WeakPolarHBondContact O-CB 3.27Å; L56-F60 PolarHBondContact O-N 3.47Å; F60-I62 VanDerWaalsContact C-N 3.3Å; F60-I62 PolarHBondContact O-N 2.83Å; F60-R63 PolarHBondContact O-N 3.19Å; F60-Y64 HydrophobicContact CE1-CD2 4.31Å; F60-Y64 AromaticContact CE2-CD2 3.71Å; F60-Y64 HydrophobicContact CE2-CD2 3.71Å; F60-Y64 HydrophobicContact CE2-CG 4.44Å; F60-Y64 AromaticContact CZ-CD2 3.43Å; F60-Y64 HydrophobicContact CZ-CD2 3.43Å; F60-Y64 VanDerWaalsContact CZ-CD2 3.43Å; F60-Y64 HydrophobicContact CZ-CE2 4.06Å; F60-Y64 HydrophobicContact CZ-CG 4.05Å; F60-Y64 WeakPolarHBondContact O-CB 3.13Å; F60-Y64 PolarHBondContact O-N 3.39Å
61	H	88.2	Confident	78	Confident	9 Å²	9	84.4 Å²	84.4	4%	0.042	41%	0.413	C	S	.	.	H	α-helix	trans	-66.4	-24.9	177.6	-70.5	157.8	0	0	0	115.3	Y29 I57 Q58 D59 R65 Y74 L76	Y29-H61 AromaticContact CE1-NE2 3.63Å; Y29-H61 AromaticContact CZ-NE2 3.95Å; Y29-H61 PolarHBondContact OH-CE1 3.33Å; Y29-H61 VanDerWaalsContact OH-CE1 3.24Å; Y29-H61 PolarHBondContact OH-NE2 2.9Å; I57-H61 VanDerWaalsContact CG2-CE1 3.5Å; I57-H61 WeakPolarHBondContact CG2-CE1 3.35Å; I57-H61 WeakPolarHBondContact O-CB 3.36Å; I57-H61 PolarHBondContact O-N 2.93Å; I57-H61 PolarHBondContact O-ND1 2.9Å; Q58-H61 CarbonylContact O-C 3.55Å; Q58-H61 WeakPolarHBondContact O-CA 3.48Å; Q58-H61 WeakPolarHBondContact O-CB 3.41Å; Q58-H61 PolarHBondContact O-N 2.95Å; D59-H61 VanDerWaalsContact C-N 3.32Å; D59-H61 PolarHBondContact O-N 3.47Å; H61-R65 WeakPolarHBondContact O-CB 3.42Å; H61-R65 PolarHBondContact O-N 3.26Å; H61-R65 PolarHBondContact O-NE 3.24Å; H61-Y74 AromaticContact CD2-CE1 3.95Å; H61-Y74 AromaticContact CD2-CZ 3.73Å; H61-Y74 PolarHBondContact CD2-OH 3.4Å; H61-Y74 AromaticContact NE2-CZ 3.95Å; H61-Y74 PolarHBondContact NE2-OH 2.95Å; H61-L76 HydrophobicContact CB-CD2 3.94Å; H61-L76 VanDerWaalsContact ND1-CD2 3.34Å; H61-L76 WeakPolarHBondContact ND1-CD2 3.29Å
62	I	83.5	Confident	76.7	Confident	76 Å²	76	90.9 Å²	90.9	39%	0.39	43%	0.433	S	S	.	.	H	α-helix	trans	-78.1	-51.6	173.6	-69.1	163.2	0	0	0	109.4	Q58 D59 F60 Y64 R65 K66	Q58-I62 WeakPolarHBondContact O-CG1 3.14Å; Q58-I62 PolarHBondContact O-N 2.61Å; D59-I62 PolarHBondContact O-N 2.78Å; F60-I62 VanDerWaalsContact C-N 3.3Å; F60-I62 PolarHBondContact O-N 2.83Å; I62-Y64 PolarHBondContact O-N 2.73Å; I62-R65 PolarHBondContact O-N 3.45Å; I62-K66 PolarHBondContact O-N 2.8Å
63	R	85.4	Confident	75.5	Confident	139 Å²	139	97.4 Å²	97.4	53%	0.525	44%	0.444	S	S	.	.	H	α-helix	trans	-57.4	-47.6	175.9	-69.9	-177.5	-67	162.6	4.5	111.5	I17 D59 F60 R65 K66 L67	I17-R63 PolarHBondContact O-NH2 3.47Å; D59-R63 WeakPolarHBondContact O-CB 3.49Å; D59-R63 VanDerWaalsContact O-CG 3.3Å; D59-R63 WeakPolarHBondContact O-CG 3.45Å; D59-R63 PolarHBondContact O-N 2.92Å; D59-R63 PolarHBondContact O-NE 2.71Å; F60-R63 PolarHBondContact O-N 3.19Å; R63-R65 PolarHBondContact O-N 3.1Å; R63-K66 PolarHBondContact O-N 3.03Å; R63-L67 PolarHBondContact O-N 3Å
64	Y	82.3	Confident	73.7	Confident	58 Å²	58	99.8 Å²	99.8	23%	0.227	45%	0.451	C	S	.	.	H	α-helix	trans	-62.4	-39.6	178.5	-163.2	-79.8	0	0	0	112.1	F60 I62 L67 H68 Y74	F60-Y64 HydrophobicContact CE1-CD2 4.31Å; F60-Y64 AromaticContact CE2-CD2 3.71Å; F60-Y64 HydrophobicContact CE2-CD2 3.71Å; F60-Y64 HydrophobicContact CE2-CG 4.44Å; F60-Y64 AromaticContact CZ-CD2 3.43Å; F60-Y64 HydrophobicContact CZ-CD2 3.43Å; F60-Y64 VanDerWaalsContact CZ-CD2 3.43Å; F60-Y64 HydrophobicContact CZ-CE2 4.06Å; F60-Y64 HydrophobicContact CZ-CG 4.05Å; F60-Y64 WeakPolarHBondContact O-CB 3.13Å; F60-Y64 PolarHBondContact O-N 3.39Å; I62-Y64 PolarHBondContact O-N 2.73Å; Y64-L67 PolarHBondContact O-N 3.43Å; Y64-H68 HydrophobicContact CD1-CB 4.1Å; Y64-H68 AromaticContact CD1-CG 3.83Å; Y64-H68 AromaticContact CD1-ND1 3.48Å; Y64-H68 WeakPolarHBondContact CD1-ND1 3.27Å; Y64-H68 AromaticContact CD2-CE1 3.89Å; Y64-H68 AromaticContact CD2-ND1 3.84Å; Y64-H68 HydrophobicContact CE1-CB 3.96Å; Y64-H68 AromaticContact CE1-CD2 3.87Å; Y64-H68 AromaticContact CE1-CE1 3.74Å; Y64-H68 AromaticContact CE1-CG 3.45Å; Y64-H68 VanDerWaalsContact CE1-CG 3.45Å; Y64-H68 AromaticContact CE1-ND1 3.35Å; Y64-H68 WeakPolarHBondContact CE1-ND1 3.47Å; Y64-H68 AromaticContact CE2-CE1 3.47Å; Y64-H68 VanDerWaalsContact CE2-CE1 3.47Å; Y64-H68 WeakPolarHBondContact CE2-CE1 3.31Å; Y64-H68 AromaticContact CE2-ND1 3.76Å; Y64-H68 AromaticContact CG-ND1 3.72Å; Y64-H68 AromaticContact CZ-CD2 3.92Å; Y64-H68 AromaticContact CZ-CE1 3.37Å; Y64-H68 AromaticContact CZ-CG 3.86Å; Y64-H68 AromaticContact CZ-ND1 3.51Å; Y64-H68 AromaticContact CZ-NE2 3.65Å; Y64-H68 VanDerWaalsContact O-CB 3.24Å; Y64-H68 WeakPolarHBondContact O-CB 3.44Å; Y64-H68 PolarHBondContact O-N 2.99Å; Y64-H68 PolarHBondContact O-ND1 2.94Å; Y64-Y74 AromaticContact CD1-CD2 3.73Å; Y64-Y74 HydrophobicContact CD1-CD2 3.73Å; Y64-Y74 AromaticContact CD1-CE2 3.61Å; Y64-Y74 HydrophobicContact CD1-CE2 3.61Å; Y64-Y74 AromaticContact CE1-CD2 3.52Å; Y64-Y74 HydrophobicContact CE1-CD2 3.52Å; Y64-Y74 AromaticContact CE1-CE2 3.58Å; Y64-Y74 HydrophobicContact CE1-CE2 3.58Å; Y64-Y74 HydrophobicContact CG-CE2 4.38Å
65	R	76.6	Confident	71.8	Confident	127 Å²	127	103 Å²	103	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-67.9	-37.3	174.2	-94.2	-175.9	-71.8	175.9	-3.5	113.4	H61 I62 R63	H61-R65 WeakPolarHBondContact O-CB 3.42Å; H61-R65 PolarHBondContact O-N 3.26Å; H61-R65 PolarHBondContact O-NE 3.24Å; I62-R65 PolarHBondContact O-N 3.45Å; R63-R65 PolarHBondContact O-N 3.1Å
66	K	78.8	Confident	69.7	Low	156 Å²	156	104 Å²	104	68%	0.678	48%	0.475	S	S	*	.	H	α-helix	trans	-60.4	-48	172.8	-72.5	-179.8	178.4	-177.6	0	110.1	I62 R63	I62-K66 PolarHBondContact O-N 2.8Å; R63-K66 PolarHBondContact O-N 3.03Å
67	L	76.2	Confident	67.4	Low	147 Å²	147	103.9 Å²	103.9	77%	0.77	48%	0.477	S	S	*	.	H	α-helix	trans	-70.9	-37.2	-177.7	-150.5	77.2	0	0	0	113.8	R63 Y64 R69	R63-L67 PolarHBondContact O-N 3Å; Y64-L67 PolarHBondContact O-N 3.43Å; L67-R69 PolarHBondContact O-N 3.28Å
68	H	70.1	Confident	65	Low	52 Å²	52	112.2 Å²	112.2	24%	0.241	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	27.3	-173.5	-71.5	81.5	0	0	0	114.5	Y64 G70 K71	Y64-H68 HydrophobicContact CD1-CB 4.1Å; Y64-H68 AromaticContact CD1-CG 3.83Å; Y64-H68 AromaticContact CD1-ND1 3.48Å; Y64-H68 WeakPolarHBondContact CD1-ND1 3.27Å; Y64-H68 AromaticContact CD2-CE1 3.89Å; Y64-H68 AromaticContact CD2-ND1 3.84Å; Y64-H68 HydrophobicContact CE1-CB 3.96Å; Y64-H68 AromaticContact CE1-CD2 3.87Å; Y64-H68 AromaticContact CE1-CE1 3.74Å; Y64-H68 AromaticContact CE1-CG 3.45Å; Y64-H68 VanDerWaalsContact CE1-CG 3.45Å; Y64-H68 AromaticContact CE1-ND1 3.35Å; Y64-H68 WeakPolarHBondContact CE1-ND1 3.47Å; Y64-H68 AromaticContact CE2-CE1 3.47Å; Y64-H68 VanDerWaalsContact CE2-CE1 3.47Å; Y64-H68 WeakPolarHBondContact CE2-CE1 3.31Å; Y64-H68 AromaticContact CE2-ND1 3.76Å; Y64-H68 AromaticContact CG-ND1 3.72Å; Y64-H68 AromaticContact CZ-CD2 3.92Å; Y64-H68 AromaticContact CZ-CE1 3.37Å; Y64-H68 AromaticContact CZ-CG 3.86Å; Y64-H68 AromaticContact CZ-ND1 3.51Å; Y64-H68 AromaticContact CZ-NE2 3.65Å; Y64-H68 VanDerWaalsContact O-CB 3.24Å; Y64-H68 WeakPolarHBondContact O-CB 3.44Å; Y64-H68 PolarHBondContact O-N 2.99Å; Y64-H68 PolarHBondContact O-ND1 2.94Å; H68-G70 PolarHBondContact O-N 2.86Å; H68-K71 PolarHBondContact O-N 2.72Å
69	R	56.2	Low	62.8	Low	231 Å²	231	111 Å²	111	87%	0.872	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-10.7	-169.1	-120	175	176.6	-177.4	-2.1	117	L67	L67-R69 PolarHBondContact O-N 3.28Å
70	G	55.2	Low	60.2	Low	74 Å²	74	109.3 Å²	109.3	76%	0.763	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-9.9	174.1	0	0	0	0	0	117.4	H68 R72	H68-G70 PolarHBondContact O-N 2.86Å; G70-R72 PolarHBondContact O-N 2.8Å
71	K	50.8	Low	57.6	Low	159 Å²	159	117.5 Å²	117.5	69%	0.691	54%	0.544	S	S	*	.			trans	-98	98.7	-169.7	-76.9	174.2	-179.5	171.4	0	112.8	H68 R73	H68-K71 PolarHBondContact O-N 2.72Å; K71-R73 PolarHBondContact O-N 3.03Å
72	R	43.1	Very low	55.4	Low	254 Å²	254	120.5 Å²	120.5	96%	0.958	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	19.8	-177.2	-87.7	-176.6	169	168.1	-2.6	119	G70	G70-R72 PolarHBondContact O-N 2.8Å
73	R	45.5	Very low	53.4	Low	244 Å²	244	122.8 Å²	122.8	92%	0.921	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	12.3	-173.9	-71.6	-170.2	178.6	177.8	1.6	115.8	K71	K71-R73 PolarHBondContact O-N 3.03Å
74	Y	42.7	Very low	51	Low	63 Å²	63	119.9 Å²	119.9	25%	0.247	57%	0.568	C	S	.	*			trans	-92.1	127.6	178.7	-148	-90.9	0	0	0	112.9	R20 H61 Y64 L76	R20-Y74 WeakPolarHBondContact CD-OH 3.37Å; R20-Y74 PolarHBondContact NE-OH 3.03Å; H61-Y74 AromaticContact CD2-CE1 3.95Å; H61-Y74 AromaticContact CD2-CZ 3.73Å; H61-Y74 PolarHBondContact CD2-OH 3.4Å; H61-Y74 AromaticContact NE2-CZ 3.95Å; H61-Y74 PolarHBondContact NE2-OH 2.95Å; Y64-Y74 AromaticContact CD1-CD2 3.73Å; Y64-Y74 HydrophobicContact CD1-CD2 3.73Å; Y64-Y74 AromaticContact CD1-CE2 3.61Å; Y64-Y74 HydrophobicContact CD1-CE2 3.61Å; Y64-Y74 AromaticContact CE1-CD2 3.52Å; Y64-Y74 HydrophobicContact CE1-CD2 3.52Å; Y64-Y74 AromaticContact CE1-CE2 3.58Å; Y64-Y74 HydrophobicContact CE1-CE2 3.58Å; Y64-Y74 HydrophobicContact CG-CE2 4.38Å; Y74-L76 HydrophobicContact CE1-CD2 4.2Å
75	S	44.4	Very low	48.7	Very low	88 Å²	88	122.6 Å²	122.6	62%	0.615	59%	0.586	S	S	*	*			trans	-137.9	129.8	170.2	63.3	0	0	0	0	110.2
76	L	42	Very low	46.7	Very low	85 Å²	85	127.5 Å²	127.5	45%	0.445	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-69.3	147.2	177.3	-69	168.7	0	0	0	111.1	H61 Y74	H61-L76 HydrophobicContact CB-CD2 3.94Å; H61-L76 VanDerWaalsContact ND1-CD2 3.34Å; H61-L76 WeakPolarHBondContact ND1-CD2 3.29Å; Y74-L76 HydrophobicContact CE1-CD2 4.2Å
77	P	40.1	Very low	44.2	Very low	42 Å²	42	125.6 Å²	125.6	27%	0.273	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-65.1	133.1	152.9	-8.7	25.8	0	0	0	108.7	V79	P77-V79 PolarHBondContact O-N 3.25Å
78	L	39.3	Very low	42	Very low	180 Å²	180	127.4 Å²	127.4	94%	0.942	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-73.8	120.4	168.8	-81.7	151.8	0	0	0	109.2
79	V	38.9	Very low	39.9	Very low	57 Å²	57	131.3 Å²	131.3	35%	0.345	64%	0.641	S	S	.	*			trans	-121.9	133.2	164	-177.8	0	0	0	0	105.1	F46 L54 P77	F46-V79 HydrophobicContact CE1-CG2 4.36Å; F46-V79 HydrophobicContact CZ-CG2 3.76Å; L54-V79 HydrophobicContact CD1-CG1 4.18Å; L54-V79 HydrophobicContact CD2-CG1 4.37Å; L54-V79 HydrophobicContact CD2-CG2 4.29Å; P77-V79 PolarHBondContact O-N 3.25Å
80	S	33.9	Very low	38.6	Very low	47 Å²	47	127.9 Å²	127.9	33%	0.329	64%	0.641	S	S	.	*			trans	-69.8	137.2	-172.8	68.2	0	0	0	0	111.3	S82 K83 D1013	S80-S82 WeakPolarHBondContact CB-OG 3.48Å; S80-S82 PolarHBondContact O-N 2.76Å; S80-S82 PolarHBondContact OG-OG 2.86Å; S80-K83 PolarHBondContact O-N 3.23Å; S80-D1013 WeakPolarHBondContact CA-OD1 3.47Å; S80-D1013 WeakPolarHBondContact CB-OD2 3.33Å
81	R	37.2	Very low	37.3	Very low	180 Å²	180	132.3 Å²	132.3	68%	0.679	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-63.8	-33.9	180	-91.2	175.4	152.2	179.8	-11.1	111.6	K83 L84 D1013	R81-K83 PolarHBondContact O-N 2.8Å; R81-L84 PolarHBondContact O-N 3.2Å; R81-D1013 PolarHBondContact N-OD1 2.77Å; R81-D1013 PolarHBondContact N-OD2 2.76Å
82	S	41.8	Very low	36.4	Very low	72 Å²	72	134.1 Å²	134.1	50%	0.503	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-48.5	-24.9	174.8	43.6	0	0	0	0	116.1	S80 D1013	S80-S82 WeakPolarHBondContact CB-OG 3.48Å; S80-S82 PolarHBondContact O-N 2.76Å; S80-S82 PolarHBondContact OG-OG 2.86Å; S82-D1013 WeakPolarHBondContact CB-OD2 3.35Å; S82-D1013 PolarHBondContact N-OD2 3.04Å; S82-D1013 PolarHBondContact OG-OD2 2.93Å
83	K	41.9	Very low	35.7	Very low	123 Å²	123	130.8 Å²	130.8	54%	0.535	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-88.9	-14	179.1	-97.6	-179.4	152.7	-81.4	0	115.1	E51 S80 R81	E51-K83 IonicContact OE1-NZ 3.54Å; E51-K83 PolarHBondContact OE1-NZ 3.35Å; E51-K83 IonicContact OE2-NZ 3.53Å; E51-K83 PolarHBondContact OE2-NZ 3.48Å; S80-K83 PolarHBondContact O-N 3.23Å; R81-K83 PolarHBondContact O-N 2.8Å
84	L	34.8	Very low	34.8	Very low	79 Å²	79	124.9 Å²	124.9	41%	0.414	63%	0.631	S	S	.	*	S	Bend	trans	-93.9	8.5	-174	-94.4	147.8	0	0	0	114.2	L54 R81	L54-L84 HydrophobicContact CB-CD2 4.43Å; R81-L84 PolarHBondContact O-N 3.2Å
85	L	34.7	Very low	34.1	Very low	115 Å²	115	130.5 Å²	130.5	60%	0.602	66%	0.662	S	S	*	*	S	Bend	trans	-123.9	28.7	-175.5	-76.5	162.6	0	0	0	112.4
86	R	32.8	Very low	33.2	Very low	229 Å²	229	131.5 Å²	131.5	86%	0.864	67%	0.669	S	S	*	*	S	Bend	trans	-138.5	12.9	-173.7	-105.3	-173.7	-177.2	-162.8	0.9	116.5
87	C	27.2	Very low	32.6	Very low	116 Å²	116	133.5 Å²	133.5	78%	0.784	69%	0.685	S	S	*	*	S	Bend	trans	-137.9	165	165.7	-65.8	0	0	0	0	108.7
88	E	30	Very low	31.9	Very low	185 Å²	185	140.7 Å²	140.7	86%	0.864	71%	0.712	S	S	*	*			trans	67.3	64.1	173.8	-63.2	170.8	-161.2	0	0	115.4
89	T	26.5	Very low	31.5	Very low	134 Å²	134	139.3 Å²	139.3	82%	0.822	70%	0.704	S	S	*	*			trans	-129.2	87.8	139.2	54.4	0	0	0	0	108.7
90	D	27.6	Very low	31	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	72%	0.724	S	S	*	*	S	Bend	trans	-167.5	146.8	148.9	-96.2	-32.6	0	0	0	110
91	E	28.9	Very low	30.8	Very low	166 Å²	166	150.1 Å²	150.1	78%	0.776	74%	0.743	S	S	*	*			trans	69.1	148.8	174.1	-49.9	-156.6	139	0	0	121.2
92	F	30.6	Very low	30.6	Very low	198 Å²	198	147.9 Å²	147.9	87%	0.868	75%	0.745	S	S	*	*			trans	75.1	127.8	171.8	-65.6	-75	0	0	0	121.4
93	H	29.7	Very low	30.3	Very low	184 Å²	184	149 Å²	149	85%	0.852	75%	0.753	S	S	*	*			trans	-103.4	161.4	-167.5	-133.8	58.2	0	0	0	111.6
94	D	25.9	Very low	30	Very low	120 Å²	120	149.9 Å²	149.9	64%	0.642	76%	0.763	S	S	*	*			trans	26	116.9	150.7	-168.8	21.1	0	0	0	120.4	S96	D94-S96 PolarHBondContact OD1-N 2.87Å
95	M	28	Very low	30.4	Very low	180 Å²	180	154.5 Å²	154.5	89%	0.887	79%	0.788	S	S	*	*			trans	-148	112.1	131.2	-107.9	-160	-63.7	0	0	110.8
96	S	25.5	Very low	30.6	Very low	110 Å²	110	155.5 Å²	155.5	77%	0.769	79%	0.794	S	S	*	*			trans	-80.4	128.5	172.6	-65.9	0	0	0	0	112.4	D94	D94-S96 PolarHBondContact OD1-N 2.87Å
97	V	30.5	Very low	30.9	Very low	127 Å²	127	151.9 Å²	151.9	77%	0.77	79%	0.791	S	S	*	*			trans	-125.1	122.4	168.5	-179	0	0	0	0	110.2
98	K	24	Very low	31.4	Very low	193 Å²	193	150.2 Å²	150.2	84%	0.839	79%	0.786	S	S	*	*			trans	-101	142.1	172.2	-61.8	174	-178.7	173.3	0	109.9
99	L	31.1	Very low	31.9	Very low	151 Å²	151	145.9 Å²	145.9	79%	0.791	78%	0.781	S	S	*	*			trans	-165	127.9	154.7	-90.5	132.9	0	0	0	104.6
100	E	29.3	Very low	32.4	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	77%	0.771	S	S	*	*			cis	64.5	129.8	48.8	-62.4	-154.2	145.5	0	0	112.9
101	K	28.6	Very low	32.9	Very low	166 Å²	166	145.2 Å²	145.2	72%	0.722	77%	0.765	S	S	*	*			cis	-164.8	-163.3	-12.5	-152.8	179.8	173.1	-173.9	0	108.7
102	D	32.7	Very low	33.3	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	76%	0.76	S	S	*	*			trans	67.1	160.8	161.7	-41.4	-34.6	0	0	0	116.3
103	S	35.7	Very low	33.6	Very low	96 Å²	96	137.3 Å²	137.3	67%	0.671	75%	0.752	S	S	*	*			cis	-143.1	133.1	5.7	57.8	0	0	0	0	112
104	D	35.4	Very low	34	Very low	142 Å²	142	135.6 Å²	135.6	76%	0.759	75%	0.748	S	S	*	*				52.8	134	120.9	-43.5	-40.3	0	0	0	123.1
105	D	43.3	Very low	34.3	Very low	175 Å²	175	135.2 Å²	135.2	94%	0.936	76%	0.755	S	S	*	*			trans	-154.7	138.5	157.5	-118.6	-29.6	0	0	0	107.9
106	D	40.2	Very low	34.7	Very low	136 Å²	136	131.2 Å²	131.2	73%	0.727	75%	0.745	S	S	*	*			trans	-118.9	147.9	-148.8	-124.5	-15.8	0	0	0	116.3
107	L	39.1	Very low	35.1	Very low	153 Å²	153	132.6 Å²	132.6	80%	0.801	75%	0.749	S	S	*	*			trans	56.2	148.7	150.3	-60	169.9	0	0	0	120.9
108	A	37.7	Very low	35.2	Very low	81 Å²	81	136.8 Å²	136.8	67%	0.669	76%	0.757	S	S	*	*			cis	-167.5	156	-15.5	0	0	0	0	0	111.6
109	A	38.9	Very low	35.8	Very low	94 Å²	94	133.1 Å²	133.1	78%	0.777	76%	0.755	S	S	*	*			trans	54	154.2	144.3	0	0	0	0	0	121.1
110	D	38.1	Very low	36.1	Very low	113 Å²	113	135.1 Å²	135.1	60%	0.604	76%	0.761	S	S	*	*			cis	-154.7	155.4	7.6	-146.8	8.5	0	0	0	113.7
111	K	38.4	Very low	36.6	Very low	168 Å²	168	133.2 Å²	133.2	73%	0.73	76%	0.762	S	S	*	*			trans	35.4	146.2	149.6	-74.2	168.1	-162.5	80.9	0	121.9
112	S	37.7	Very low	36.9	Very low	95 Å²	95	130.4 Å²	130.4	66%	0.664	76%	0.761	S	S	*	*			cis	-169.2	157.9	3.2	44.8	0	0	0	0	113.5
113	S	36.8	Very low	37.4	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	77%	0.765	S	S	*	*			trans	63.4	147.4	148.7	56.4	0	0	0	0	121
114	I	36.5	Very low	37.5	Very low	148 Å²	148	133 Å²	133	76%	0.759	77%	0.773	S	S	*	*			cis	-160.5	142.1	-10	-111.6	163.2	0	0	0	108.7
115	S	33.7	Very low	37.5	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	77%	0.769	S	S	*	*			trans	57.2	150.6	164.4	66.5	0	0	0	0	119.4
116	S	35.4	Very low	37	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	77%	0.765	S	S	*	*			cis	-159.1	178.2	-5.5	43.6	0	0	0	0	110.9
117	T	35	Very low	36.9	Very low	139 Å²	139	135 Å²	135	85%	0.853	77%	0.771	S	S	*	*			trans	68.2	130.2	167.8	41.2	0	0	0	0	118.8
118	K	31.7	Very low	36.5	Very low	215 Å²	215	133.5 Å²	133.5	94%	0.935	77%	0.774	S	S	*	*			trans	-76	140.5	-172	-68.6	172.6	174	174.3	0	113.8
119	S	36.8	Very low	36.3	Very low	115 Å²	115	133 Å²	133	80%	0.804	78%	0.776	S	S	*	*			trans	-148.8	164.4	151.2	61.2	0	0	0	0	110.1
120	Q	37.5	Very low	36.1	Very low	194 Å²	194	137.5 Å²	137.5	91%	0.907	78%	0.778	S	S	*	*			trans	-83.6	136.4	-174.4	-68.3	174.1	-48.7	0	0	112.5
121	P	39.1	Very low	36	Very low	124 Å²	124	141.9 Å²	141.9	81%	0.805	79%	0.786	S	S	*	*			trans	-99.1	140.2	177.6	35.6	-32.4	0	0	0	114.3
122	P	36.1	Very low	35.8	Very low	107 Å²	107	140.3 Å²	140.3	70%	0.695	79%	0.786	S	S	*	*			trans	-108.6	160	166.3	38.6	-32	0	0	0	113.4
123	P	43.3	Very low	35.7	Very low	121 Å²	121	141.4 Å²	141.4	79%	0.786	79%	0.789	S	S	*	*			trans	-105.3	115.2	161.6	33.7	-24.6	0	0	0	111
124	L	37.5	Very low	35.8	Very low	163 Å²	163	143.1 Å²	143.1	85%	0.853	79%	0.794	S	S	*	*				82.8	111.2	66.1	-74.3	176.4	0	0	0	115.4
125	P	35.4	Very low	35.8	Very low	104 Å²	104	146.9 Å²	146.9	68%	0.675	80%	0.799	S	S	*	*			trans	-117.4	174.9	171.9	37.4	-25.5	0	0	0	114.9
126	F	31.9	Very low	36.2	Very low	193 Å²	193	145.9 Å²	145.9	85%	0.846	79%	0.79	S	S	*	*			trans	71.2	161	178.2	-66.6	-82.2	0	0	0	115.2
127	K	37.7	Very low	36.4	Very low	198 Å²	198	147.5 Å²	147.5	86%	0.861	80%	0.796	S	S	*	*			cis	-150.3	-177	26.2	-132	137.2	-174.7	177.3	0	112.5
128	S	30.8	Very low	36.4	Very low	121 Å²	121	145.9 Å²	145.9	85%	0.846	79%	0.79	S	S	*	*			trans	-125	154.8	-178.9	57.9	0	0	0	0	113
129	G	34	Very low	36.7	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	79%	0.785	S	S	*	*			trans	173.5	96.3	172.6	0	0	0	0	0	121.1
130	K	35.6	Very low	36.8	Very low	188 Å²	188	151.7 Å²	151.7	82%	0.817	79%	0.789	S	S	*	*			trans	65	128	131.5	-72.4	173.7	-179.9	169.7	0	123.7
131	R	34.5	Very low	36.8	Very low	206 Å²	206	147.1 Å²	147.1	78%	0.777	78%	0.778	S	S	*	*				95.7	119.9	128.5	-81.3	176.6	172.3	175.1	-4.4	122.4
132	N	34.9	Very low	36.6	Very low	134 Å²	134	145.8 Å²	145.8	72%	0.717	78%	0.777	S	S	*	*				73.1	152.7	129.6	-63.4	12.8	0	0	0	118.7
133	T	36.4	Very low	36.9	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	78%	0.778	S	S	*	*			cis	-160.8	165.2	5.4	-4.9	0	0	0	0	112.5
134	V	37.4	Very low	36.6	Very low	137 Å²	137	145 Å²	145	83%	0.83	78%	0.775	S	S	*	*			trans	69.5	144.6	150.7	157.6	0	0	0	0	118.4
135	R	36.2	Very low	36.5	Very low	227 Å²	227	142.1 Å²	142.1	86%	0.857	77%	0.768	S	S	*	*			cis	-160.5	-162.1	-28.5	-141	-162.2	171.5	-159.5	1.3	108.7
136	P	43.6	Very low	36.6	Very low	91 Å²	91	143.4 Å²	143.4	59%	0.591	77%	0.774	S	S	*	*				-135.9	-150.6	-126.2	48.3	-27.4	0	0	0	117.5
137	T	38.2	Very low	36.6	Very low	131 Å²	131	138.5 Å²	138.5	80%	0.804	77%	0.769	S	S	*	*			trans	88.6	141.4	177	78.4	0	0	0	0	114.1
138	S	36.8	Very low	36.5	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	77%	0.767	S	S	*	*			cis	-158	-175.6	7.5	-144.3	0	0	0	0	109.1
139	R	37.7	Very low	36.6	Very low	215 Å²	215	135.4 Å²	135.4	81%	0.811	76%	0.759	S	S	*	*			cis	-165.6	126.6	2.9	-154.4	176.7	-164.2	-176.9	5.4	110.5
140	R	37.7	Very low	36.7	Very low	237 Å²	237	136.5 Å²	136.5	89%	0.894	76%	0.756	S	S	*	*			trans	61.2	155.7	163.3	-74.5	-178	174.3	-171.7	-3.5	119.5
141	S	37.9	Very low	36.6	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	76%	0.755	S	S	*	*			cis	-173	126.1	-24.8	47	0	0	0	0	107.9
142	A	35.3	Very low	36.4	Very low	95 Å²	95	127.9 Å²	127.9	79%	0.785	75%	0.746	S	S	*	*				72.4	154.9	70.5	0	0	0	0	0	114.1
143	P	41.7	Very low	36.2	Very low	110 Å²	110	130.5 Å²	130.5	71%	0.714	75%	0.751	S	S	*	*			cis	-145.1	-176.2	14.2	37.7	-14.6	0	0	0	119.1
144	S	37.4	Very low	36.1	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	76%	0.759	S	S	*	*			trans	68.8	150.9	141	54	0	0	0	0	122.1
145	S	36.4	Very low	35.6	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	75%	0.75	S	S	*	*			cis	178.4	165.2	-6	50	0	0	0	0	109.9
146	V	36	Very low	35.5	Very low	131 Å²	131	129.2 Å²	129.2	79%	0.794	75%	0.749	S	S	*	*			cis	-166	152.9	-16.2	-93.1	0	0	0	0	109.9
147	A	32.6	Very low	35	Very low	91 Å²	91	133.2 Å²	133.2	75%	0.752	76%	0.76	S	S	*	*			trans	62.4	165.2	150.2	0	0	0	0	0	119.9
148	L	35.7	Very low	34.9	Very low	154 Å²	154	132.3 Å²	132.3	81%	0.806	76%	0.757	S	S	*	*			cis	-132.2	134.8	10	-76.5	162	0	0	0	109.9
149	S	33.5	Very low	34.8	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	76%	0.761	S	S	*	*				70.8	150.1	98.2	95.4	0	0	0	0	115.8
150	S	35.2	Very low	34.3	Very low	93 Å²	93	126.9 Å²	126.9	65%	0.65	76%	0.759	S	S	*	*			cis	-152.5	151.9	10.7	-35.9	0	0	0	0	113.5
151	T	33	Very low	34.1	Very low	129 Å²	129	127 Å²	127	79%	0.791	76%	0.761	S	S	*	*			trans	19.8	154.6	135	57.5	0	0	0	0	123.2
152	S	31.3	Very low	33.7	Very low	84 Å²	84	127.5 Å²	127.5	59%	0.587	77%	0.765	S	S	*	*			cis	172.5	161.4	-14.2	55.4	0	0	0	0	111.4
153	F	31.4	Very low	33.6	Very low	190 Å²	190	126.4 Å²	126.4	83%	0.833	76%	0.762	S	S	*	*			trans	63.8	146.9	168	-63.6	-73.3	0	0	0	116
154	F	32.5	Very low	33.3	Very low	203 Å²	203	129.6 Å²	129.6	89%	0.89	77%	0.767	S	S	*	*			cis	-136.4	-179	40.6	-119.7	-97.8	0	0	0	114.8
155	S	27.9	Very low	32.8	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	77%	0.767	S	S	*	*			trans	-136	153.5	-178.3	-178.3	0	0	0	0	111.6
156	L	33.2	Very low	32.6	Very low	160 Å²	160	130.2 Å²	130.2	84%	0.838	77%	0.772	S	S	*	*			trans	168	99.6	160.2	-92.9	155.2	0	0	0	106.1
157	Q	33.5	Very low	32.4	Very low	175 Å²	175	128.4 Å²	128.4	82%	0.818	77%	0.765	S	S	*	*				75.4	144.4	77.6	-77.5	-131.8	-67.8	0	0	116
158	P	36.5	Very low	32.2	Very low	112 Å²	112	133.7 Å²	133.7	73%	0.727	77%	0.771	S	S	*	*			trans	-110.7	167.6	-162.8	41.7	-32.4	0	0	0	114.7
159	G	33.9	Very low	32.1	Very low	80 Å²	80	131.5 Å²	131.5	83%	0.825	77%	0.766	S	S	*	*			trans	-118.5	124.5	168.8	0	0	0	0	0	112.2
160	T	27.9	Very low	31.9	Very low	127 Å²	127	131.5 Å²	131.5	78%	0.779	77%	0.766	S	S	*	*			trans	-101.5	145.9	173.8	48.9	0	0	0	0	111
161	Y	32.8	Very low	31.5	Very low	239 Å²	239	131.5 Å²	131.5	94%	0.937	77%	0.766	S	S	*	*			trans	-144.4	152.4	147.4	-116.6	-82.3	0	0	0	111.3
162	S	29.3	Very low	31.4	Very low	109 Å²	109	134 Å²	134	76%	0.762	77%	0.769	S	S	*	*			trans	-124	150.8	-166.4	52.5	0	0	0	0	112.4
163	G	33.9	Very low	31.2	Very low	71 Å²	71	134.7 Å²	134.7	73%	0.732	77%	0.774	S	S	*	*			trans	-159.2	115.5	174.8	0	0	0	0	0	113.8
164	H	34.6	Very low	31	Very low	177 Å²	177	130.8 Å²	130.8	82%	0.819	77%	0.77	S	S	*	*			trans	-15.7	139.1	164.3	-56.3	-73	0	0	0	118.5
165	S	28.4	Very low	31	Very low	101 Å²	101	127.8 Å²	127.8	71%	0.706	77%	0.768	S	S	*	*			cis	102.5	74.2	24.3	80.1	0	0	0	0	116.3
166	S	32.1	Very low	30.8	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	77%	0.771	S	S	*	*			trans	-178.4	165.3	157.9	51.1	0	0	0	0	110
167	S	31.3	Very low	30.8	Very low	93 Å²	93	129.8 Å²	129.8	65%	0.65	77%	0.774	S	S	*	*				-175.6	139.5	-56.4	49.6	0	0	0	0	109.1
168	F	29.4	Very low	30.6	Very low	203 Å²	203	127.8 Å²	127.8	89%	0.89	77%	0.774	S	S	*	*			trans	69	162.3	168.8	-67.9	-63.9	0	0	0	117.7
169	P	33.5	Very low	30.4	Very low	108 Å²	108	127.8 Å²	127.8	70%	0.701	77%	0.774	S	S	*	*			trans	-135.4	-155.3	-144.9	44.4	-24.9	0	0	0	114
170	S	27.5	Very low	30.1	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	78%	0.776	S	S	*	*			trans	108.7	139.8	155.9	-57.8	0	0	0	0	117.5
171	S	28.3	Very low	30.2	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	77%	0.774	S	S	*	*			trans	59.9	133.5	147.5	48.4	0	0	0	0	121.7
172	E	30.4	Very low	30.1	Very low	181 Å²	181	125.9 Å²	125.9	85%	0.846	77%	0.767	S	S	*	*			trans	68.1	154.2	150	-67.6	168.9	-153.6	0	0	118.7
173	S	27.2	Very low	30.1	Very low	99 Å²	99	126.9 Å²	126.9	69%	0.692	77%	0.765	S	S	*	*			cis	-154.8	168.6	-31.1	56.5	0	0	0	0	109.7
174	S	26.9	Very low	30	Very low	107 Å²	107	127.9 Å²	127.9	75%	0.748	76%	0.76	S	S	*	*			trans	-9.3	130.5	170.5	52.5	0	0	0	0	120.1
175	V	32.1	Very low	29.9	Very low	140 Å²	140	126.6 Å²	126.6	85%	0.848	76%	0.759	S	S	*	*				-158.5	152.4	123.6	132.1	0	0	0	0	110.5
176	S	25.3	Very low	30.3	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	77%	0.766	S	S	*	*			trans	-78.4	142.2	-176.9	54	0	0	0	0	114.3
177	Q	33.3	Very low	30.2	Very low	192 Å²	192	128.3 Å²	128.3	90%	0.897	77%	0.765	S	S	*	*			trans	-155.3	118.7	148.1	-113	165.1	27.4	0	0	111.3
178	T	28.4	Very low	30.4	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	77%	0.767	S	S	*	*			trans	-82.1	155.2	160.9	46.3	0	0	0	0	109.5
179	P	32.1	Very low	30.6	Very low	111 Å²	111	126.9 Å²	126.9	72%	0.721	76%	0.759	S	S	*	*				-139.9	131.8	125.6	33	-19.1	0	0	0	115
180	L	28.6	Very low	30.5	Very low	166 Å²	166	128.1 Å²	128.1	87%	0.869	76%	0.758	S	S	*	*			trans	57.8	126.6	131	-57.9	171.8	0	0	0	121.3
181	V	28.8	Very low	30.9	Very low	122 Å²	122	131.5 Å²	131.5	74%	0.739	76%	0.763	S	S	*	*			trans	-78.1	152.5	156.6	170.9	0	0	0	0	109.6
182	C	31.7	Very low	31	Very low	118 Å²	118	132.9 Å²	132.9	80%	0.797	77%	0.768	S	S	*	*			trans	-132.6	109.5	154.1	-68	0	0	0	0	110
183	D	29.3	Very low	31.1	Very low	131 Å²	131	132.5 Å²	132.5	70%	0.701	77%	0.77	S	S	*	*				22	150.3	106.4	-70.6	-71.5	0	0	0	120.3
184	S	31.4	Very low	31.3	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	77%	0.774	S	S	*	*			cis	-169.7	-157.8	-15.9	-112.7	0	0	0	0	109.4
185	D	32.3	Very low	31.6	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	78%	0.78	S	S	*	*			trans	85.8	102.3	160.9	-63.2	-21.1	0	0	0	120.2
186	A	35.8	Very low	31.7	Very low	103 Å²	103	138.1 Å²	138.1	85%	0.851	77%	0.769	S	S	*	*				-159	100.9	122.4	0	0	0	0	0	110.8
187	L	31.4	Very low	31.9	Very low	151 Å²	151	139.5 Å²	139.5	79%	0.791	77%	0.768	S	S	*	*			trans	-79.6	174.9	168.3	-66.7	169.2	0	0	0	109.9
188	L	34.1	Very low	32	Very low	130 Å²	130	138.7 Å²	138.7	68%	0.681	76%	0.764	S	S	*	*			cis	-165.6	173	36.3	-126.4	131	0	0	0	111.5
189	N	34.8	Very low	32	Very low	135 Å²	135	137.7 Å²	137.7	72%	0.722	76%	0.758	S	S	*	*			trans	78.5	144.9	160.3	-64.1	-31.5	0	0	0	121.3
190	I	31.8	Very low	32.1	Very low	135 Å²	135	141.3 Å²	141.3	69%	0.692	77%	0.768	S	S	*	*			cis	-170	164.4	-45.6	-114.2	171.6	0	0	0	109.5
191	Q	34.9	Very low	32.1	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.794	76%	0.763	S	S	*	*			trans	83.8	95.8	-178.3	-65.7	168.8	3.8	0	0	115.1
192	T	30.3	Very low	32.6	Very low	122 Å²	122	139.5 Å²	139.5	75%	0.748	75%	0.753	S	S	*	*				71.9	108.4	58.4	72.9	0	0	0	0	115.9
193	L	33.6	Very low	32.5	Very low	172 Å²	172	140.3 Å²	140.3	90%	0.901	75%	0.75	S	S	*	*				-162.3	152.5	114.4	-105.6	167.1	0	0	0	111
194	N	29.9	Very low	32.8	Very low	144 Å²	144	142.2 Å²	142.2	77%	0.77	76%	0.76	S	S	*	*			trans	-98	154.2	-165.8	-60.6	-23.3	0	0	0	112.9
195	R	33.9	Very low	32.7	Very low	233 Å²	233	141.1 Å²	141.1	88%	0.879	76%	0.763	S	S	*	*				-171.7	113.3	115.2	-105.3	176.6	176.1	170.4	-0.6	114.5
196	S	34.5	Very low	32.4	Very low	87 Å²	87	145.8 Å²	145.8	61%	0.608	77%	0.77	S	S	*	*				47.4	138.4	118.6	68.1	0	0	0	0	121.2
197	D	29.1	Very low	32.1	Very low	133 Å²	133	146.5 Å²	146.5	71%	0.711	76%	0.763	S	S	*	*			cis	-169.9	-171.1	-9	-118.2	-59.3	0	0	0	111.3
198	H	35.7	Very low	32.2	Very low	174 Å²	174	145 Å²	145	81%	0.806	76%	0.762	S	S	*	*			trans	87.6	67.7	165.2	-54.8	-57.4	0	0	0	118
199	T	29.2	Very low	32	Very low	114 Å²	114	145 Å²	145	70%	0.699	77%	0.772	S	S	*	*			trans	-60.4	149.8	142.7	44.2	0	0	0	0	112.8
200	M	32.7	Very low	31.6	Very low	187 Å²	187	147.7 Å²	147.7	92%	0.921	78%	0.78	S	S	*	*			trans	-132.3	146.5	142.1	-88.4	-64.6	141.3	0	0	108.9
201	H	29.6	Very low	31.8	Very low	166 Å²	166	148.1 Å²	148.1	77%	0.769	79%	0.789	S	S	*	*			trans	-136.6	-162.8	-165.3	-140.7	-33.7	0	0	0	110.3
202	P	38.5	Very low	31.7	Very low	83 Å²	83	145.6 Å²	145.6	54%	0.539	79%	0.79	S	S	.	*				-114.3	-173.5	-122.9	44.7	-31.9	0	0	0	116
203	D	30.3	Very low	31.7	Very low	135 Å²	135	142.7 Å²	142.7	72%	0.722	79%	0.785	S	S	*	*			trans	62	123.8	151.1	-57.8	-33.4	0	0	0	120.3
204	N	34.6	Very low	31.7	Very low	171 Å²	171	142 Å²	142	91%	0.914	78%	0.781	S	S	*	*				171	161.4	118.3	-91.8	-61.8	0	0	0	112.5
205	G	29.3	Very low	31.8	Very low	69 Å²	69	140 Å²	140	71%	0.711	78%	0.779	S	S	*	*			trans	99.1	62.1	142.6	0	0	0	0	0	121.5
206	W	25.9	Very low	31.8	Very low	247 Å²	247	135.1 Å²	135.1	94%	0.936	78%	0.775	S	S	*	*				22.5	146.7	129.8	-91.9	60.8	0	0	0	124.2
207	V	30.2	Very low	31.7	Very low	118 Å²	118	134.5 Å²	134.5	72%	0.715	78%	0.783	S	S	*	*			trans	85.8	126.1	162.6	-176.7	0	0	0	0	118.7
208	P	34	Very low	31.7	Very low	119 Å²	119	133 Å²	133	77%	0.773	78%	0.783	S	S	*	*			trans	-99.7	165.7	170.2	39.7	-34.2	0	0	0	113.7
209	C	30.1	Very low	31.5	Very low	130 Å²	130	132.7 Å²	132.7	88%	0.878	79%	0.786	S	S	*	*			trans	-136.3	155.1	164.5	-91	0	0	0	0	111.6
210	E	25.6	Very low	31.7	Very low	192 Å²	192	131.7 Å²	131.7	90%	0.897	78%	0.784	S	S	*	*			trans	-87.4	153.1	-177.8	-54.8	175.5	132.7	0	0	112.3
211	V	36.2	Very low	31.6	Very low	145 Å²	145	128.4 Å²	128.4	88%	0.879	78%	0.779	S	S	*	*			trans	-140.8	111	164.4	178.7	0	0	0	0	109.7
212	S	31.9	Very low	32	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	78%	0.777	S	S	*	*			trans	-69.5	161.2	160.2	47.9	0	0	0	0	110.4
213	G	31.1	Very low	31.6	Very low	61 Å²	61	128.9 Å²	128.9	63%	0.629	79%	0.789	S	S	*	*			cis	164.8	-173.2	9	0	0	0	0	0	107.9
214	D	33.1	Very low	31.4	Very low	156 Å²	156	127.7 Å²	127.7	83%	0.834	79%	0.787	S	S	*	*			trans	61.5	112	171.9	-59.9	-21.8	0	0	0	116.8
215	S	31.9	Very low	31	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	78%	0.775	S	S	*	*				79.4	142.9	72.2	90.6	0	0	0	0	113.3
216	T	33.8	Very low	30.9	Very low	130 Å²	130	130.1 Å²	130.1	80%	0.798	78%	0.777	S	S	*	*			cis	-146.5	156	20.2	46.1	0	0	0	0	113.1
217	G	32.3	Very low	30.8	Very low	74 Å²	74	124 Å²	124	76%	0.763	76%	0.761	S	S	*	*			trans	67.4	161.1	138.4	0	0	0	0	0	121.7
218	S	30	Very low	30.6	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	76%	0.762	S	S	*	*			cis	-173.8	147.7	-18.1	55.1	0	0	0	0	111.2
219	L	31.6	Very low	30.3	Very low	166 Å²	166	126.4 Å²	126.4	87%	0.869	76%	0.759	S	S	*	*			trans	67.1	152.2	159.8	-62.4	158.8	0	0	0	116.7
220	S	32.7	Very low	30.3	Very low	94 Å²	94	127 Å²	127	66%	0.657	75%	0.753	S	S	*	*			cis	-163.7	134.3	-15.2	48	0	0	0	0	112.9
221	S	30.6	Very low	30.3	Very low	118 Å²	118	122.8 Å²	122.8	83%	0.825	74%	0.744	S	S	*	*			trans	54.3	148.9	143.6	-56.4	0	0	0	0	123
222	P	38.6	Very low	30	Very low	111 Å²	111	125.2 Å²	125.2	72%	0.721	74%	0.742	S	S	*	*			trans	-105.7	167.9	-175.1	41.4	-35.9	0	0	0	114.6
223	N	30.6	Very low	29.9	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	74%	0.742	S	S	*	*			trans	-179.9	132.2	134.9	-99.1	-23	0	0	0	115.4
224	T	26.2	Very low	30	Very low	109 Å²	109	128.8 Å²	128.8	67%	0.669	75%	0.749	S	S	*	*				71.1	125.3	123.8	-54.6	0	0	0	0	122.9
225	I	25.7	Very low	29.8	Very low	132 Å²	132	126.6 Å²	126.6	68%	0.677	74%	0.741	S	S	*	*			trans	82.9	116.4	148.3	-84.8	171.1	0	0	0	120.9
226	Q	26.2	Very low	29.8	Very low	159 Å²	159	129 Å²	129	74%	0.743	75%	0.746	S	S	*	*			trans	62.3	164.1	137.1	-65.1	-174.6	-18.5	0	0	119.7
227	I	25.5	Very low	29.6	Very low	118 Å²	118	131.2 Å²	131.2	61%	0.605	75%	0.745	S	S	*	*			cis	-156.3	160.7	-23.4	-110.9	168.9	0	0	0	107.8
228	E	25.2	Very low	29.6	Very low	156 Å²	156	133.4 Å²	133.4	73%	0.729	74%	0.743	S	S	*	*			trans	67.3	147.4	164.2	-85.8	161.5	-145.3	0	0	120.8
229	N	27.5	Very low	29.7	Very low	133 Å²	133	134.7 Å²	134.7	71%	0.711	75%	0.749	S	S	*	*			trans	38.5	138.6	135.7	-48.3	-19.9	0	0	0	119.5
230	D	30.8	Very low	29.5	Very low	142 Å²	142	133.1 Å²	133.1	76%	0.759	75%	0.746	S	S	*	*			cis	-159.2	169.8	42.5	-153.7	-9.3	0	0	0	113.7
231	C	24.8	Very low	29.5	Very low	104 Å²	104	135 Å²	135	70%	0.703	75%	0.753	S	S	*	*			trans	-77.6	140.2	-179.1	-61.4	0	0	0	0	113.8
232	K	30.5	Very low	29.3	Very low	195 Å²	195	132 Å²	132	85%	0.848	74%	0.741	S	S	*	*			trans	-164.5	118.1	138.7	-102.5	133.9	-163.2	155.2	0	113.4
233	V	29.3	Very low	28.8	Very low	132 Å²	132	134.9 Å²	134.9	80%	0.8	75%	0.75	S	S	*	*			trans	-94.7	129.6	161.9	174.2	0	0	0	0	108.8	T235	V233-T235 HydrophobicContact CG1-CG2 4.2Å
234	P	33	Very low	28.6	Very low	122 Å²	122	132 Å²	132	79%	0.792	74%	0.741	S	S	*	*			trans	-101.7	110.4	162.7	33.1	-25.4	0	0	0	110.9
235	T	28.4	Very low	28.6	Very low	109 Å²	109	137 Å²	137	67%	0.669	75%	0.754	S	S	*	*			trans	-82.7	133.6	171.4	55.3	0	0	0	0	111.9	V233	V233-T235 HydrophobicContact CG1-CG2 4.2Å
236	N	33	Very low	28.9	Very low	155 Å²	155	134.5 Å²	134.5	83%	0.829	76%	0.76	S	S	*	*			trans	-153.1	120.6	151	-87.2	-41.4	0	0	0	107.7
237	K	28	Very low	29.1	Very low	177 Å²	177	134.1 Å²	134.1	77%	0.77	76%	0.763	S	S	*	*				78.4	89.8	57.7	-72.6	-170.6	174	179.9	0	114.7
238	V	34.1	Very low	29.2	Very low	119 Å²	119	134.2 Å²	134.2	72%	0.721	77%	0.773	S	S	*	*				36.1	131.3	125	-172.4	0	0	0	0	118.6	V240	V238-V240 HydrophobicContact CG1-CG2 3.84Å
239	P	30.6	Very low	29.6	Very low	130 Å²	130	130.5 Å²	130.5	84%	0.844	78%	0.776	S	S	*	*				-120.4	153.1	122.9	2	18.3	0	0	0	113.5
240	V	29	Very low	29.9	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	78%	0.781	S	S	*	*			trans	-110.3	124.1	173.2	170.2	0	0	0	0	109.9	V238	V238-V240 HydrophobicContact CG1-CG2 3.84Å
241	V	31.7	Very low	30.1	Very low	134 Å²	134	129.8 Å²	129.8	81%	0.812	78%	0.777	S	S	*	*			trans	-151.7	141.9	161.7	-169	0	0	0	0	106.5
242	G	26.5	Very low	30.5	Very low	56 Å²	56	129 Å²	129	58%	0.577	77%	0.772	S	S	*	*			cis	136.5	140.8	-3.5	0	0	0	0	0	111.8
243	L	28.3	Very low	30.8	Very low	171 Å²	171	126.4 Å²	126.4	90%	0.895	76%	0.763	S	S	*	*			trans	69.9	161.3	171.2	-50.3	169.6	0	0	0	116.6
244	S	25.8	Very low	30.9	Very low	87 Å²	87	129.2 Å²	129.2	61%	0.608	76%	0.76	S	S	*	*			cis	-171.9	145.2	-38.8	62.9	0	0	0	0	112.3
245	K	27.1	Very low	31.1	Very low	215 Å²	215	129.6 Å²	129.6	94%	0.935	75%	0.754	S	S	*	*			trans	58.6	143.8	150.1	-66.4	173.5	177.7	178.4	0	120.8
246	G	32.4	Very low	31.3	Very low	79 Å²	79	132.1 Å²	132.1	81%	0.814	76%	0.758	S	S	*	*			trans	125.8	128.4	161.6	0	0	0	0	0	115.2
247	N	29.1	Very low	31.5	Very low	150 Å²	150	134 Å²	134	80%	0.802	76%	0.759	S	S	*	*				165.5	146.4	-51.6	-172.2	41.9	0	0	0	108.1
248	C	27.4	Very low	31.6	Very low	120 Å²	120	130.7 Å²	130.7	81%	0.811	75%	0.754	S	S	*	*			trans	69.7	144.2	174.4	-59.2	0	0	0	0	119.4
249	G	34.8	Very low	31.5	Very low	78 Å²	78	129.1 Å²	129.1	80%	0.804	75%	0.748	S	S	*	*			trans	159.3	66.7	177	0	0	0	0	0	115.3
250	D	32.7	Very low	31.5	Very low	150 Å²	150	133.5 Å²	133.5	80%	0.802	75%	0.748	S	S	*	*			trans	-56.3	169.7	175.7	-98	-65.3	0	0	0	115.2
251	T	35.1	Very low	31.5	Very low	110 Å²	110	132 Å²	132	68%	0.675	74%	0.743	S	S	*	*			cis	-159.8	158.9	21.8	-14.9	0	0	0	0	112.6
252	S	33.4	Very low	31.4	Very low	87 Å²	87	133 Å²	133	61%	0.608	74%	0.743	S	S	*	*			trans	60.9	145.9	144	-77.6	0	0	0	0	120.5
253	Q	38.2	Very low	31.8	Very low	142 Å²	142	135.5 Å²	135.5	66%	0.664	75%	0.749	S	S	*	*			cis	-172.7	173.1	-4.2	-120.5	179.4	94.1	0	0	107.8
254	R	30.3	Very low	31.8	Very low	191 Å²	191	133.9 Å²	133.9	72%	0.721	74%	0.742	S	S	*	*			cis	-159.5	173.5	-3.6	-157.4	-174.6	179.2	114.7	-10.2	107.8
255	L	36.3	Very low	31.9	Very low	129 Å²	129	136.8 Å²	136.8	68%	0.675	75%	0.746	S	S	*	*			trans	65.3	100.1	162.7	-52.9	179.4	0	0	0	117.1
256	Q	34	Very low	31.9	Very low	162 Å²	162	131.2 Å²	131.2	76%	0.757	73%	0.733	S	S	*	*				63.6	123.7	57.6	-53.2	179.8	-12.1	0	0	113
257	K	36.3	Very low	31.7	Very low	194 Å²	194	133 Å²	133	84%	0.843	73%	0.725	S	S	*	*				-139.7	130.2	54.8	-77.3	174.5	-179.6	174.8	0	111.8
258	T	31.4	Very low	31.6	Very low	109 Å²	109	135.6 Å²	135.6	67%	0.669	72%	0.723	S	S	*	*				71.7	133.3	63.7	64.8	0	0	0	0	114.6
259	S	30.8	Very low	31.5	Very low	85 Å²	85	135.8 Å²	135.8	59%	0.594	72%	0.716	S	S	*	*			cis	-179.8	156.8	0.3	46.4	0	0	0	0	115.2
260	R	30.5	Very low	31.3	Very low	223 Å²	223	138.2 Å²	138.2	84%	0.842	72%	0.715	S	S	*	*			trans	67.8	137.6	148.1	-68.1	156.7	-176.8	-178.8	-0.5	118.2
261	S	29.6	Very low	31.4	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	71%	0.707	S	S	*	*			cis	89.3	148.7	18.9	84	0	0	0	0	117.3
262	L	29.9	Very low	31.1	Very low	156 Å²	156	139.4 Å²	139.4	82%	0.817	71%	0.714	S	S	*	*			trans	119.9	152.3	164	-68.3	168.2	0	0	0	115.5
263	P	35	Very low	30.9	Very low	109 Å²	109	140 Å²	140	71%	0.708	72%	0.718	S	S	*	*			trans	-141.4	-169.5	-130.3	46.2	-28.4	0	0	0	117.4
264	D	26.8	Very low	30.5	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	72%	0.719	S	S	*	*			trans	75.3	162.7	144.7	-159.5	24.9	0	0	0	120.1
265	Q	29.1	Very low	30.5	Very low	148 Å²	148	139 Å²	139	69%	0.692	72%	0.721	S	S	*	*			trans	73.9	91.8	161.4	-48.4	-159.6	6.6	0	0	122.5
266	S	26.3	Very low	30.3	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	72%	0.72	S	S	*	*				84.9	158.7	117	88.1	0	0	0	0	122.6
267	N	28.2	Very low	30.2	Very low	118 Å²	118	142.3 Å²	142.3	63%	0.631	72%	0.723	S	S	*	*			trans	69.3	109.8	152.2	-76.5	-60.9	0	0	0	122.5
268	R	26.6	Very low	29.9	Very low	204 Å²	204	137 Å²	137	77%	0.77	71%	0.71	S	S	*	*				75.7	115.2	121.1	-69.6	177.7	-168.3	-142.9	-3	121.6
269	N	27	Very low	30	Very low	124 Å²	124	140.3 Å²	140.3	66%	0.663	72%	0.718	S	S	*	*				73.7	98.2	118.2	-59.7	2.6	0	0	0	121.7
270	T	29.8	Very low	30.2	Very low	129 Å²	129	140.7 Å²	140.7	79%	0.791	72%	0.718	S	S	*	*				67.1	175.5	122.4	63.7	0	0	0	0	120
271	P	35.5	Very low	30.1	Very low	95 Å²	95	136.1 Å²	136.1	62%	0.617	71%	0.71	S	S	*	*			cis	-133.4	-168.9	-44.7	34.1	-16.4	0	0	0	113
272	K	28.2	Very low	30	Very low	189 Å²	189	138.5 Å²	138.5	82%	0.822	72%	0.715	S	S	*	*			trans	77.5	119.4	162	-64.6	163.9	-175.8	173.6	0	114.5
273	S	29.2	Very low	29.9	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	71%	0.711	S	S	*	*				76.7	124.6	61.2	-165.6	0	0	0	0	111.1
274	T	30.6	Very low	29.5	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.693	71%	0.714	S	S	*	*				-167.9	153.9	78.1	26.5	0	0	0	0	115.6
275	R	29.6	Very low	29.4	Very low	199 Å²	199	135.3 Å²	135.3	75%	0.751	72%	0.715	S	S	*	*			trans	73.3	157.3	146.3	-77.7	171.3	164.5	178.7	-1.5	116.7
276	R	32.2	Very low	29.5	Very low	175 Å²	175	133.9 Å²	133.9	66%	0.66	71%	0.708	S	S	*	*			cis	-152.6	133	9.4	-137.6	157.1	-171.8	-168	1.6	112.6
277	K	31.6	Very low	29.6	Very low	186 Å²	186	138.1 Å²	138.1	81%	0.809	71%	0.709	S	S	*	*			trans	60.9	154.3	143.4	-77.4	-173.2	173.8	-164.2	0	120
278	S	31	Very low	29.6	Very low	82 Å²	82	138.5 Å²	138.5	57%	0.573	71%	0.711	S	S	*	*			cis	-175.3	143.4	-22	49.4	0	0	0	0	113.7
279	Q	31.7	Very low	30	Very low	179 Å²	179	135 Å²	135	84%	0.836	71%	0.708	S	S	*	*			trans	72.7	165.3	138.9	-80.8	-172.1	-50	0	0	119
280	P	35.8	Very low	30.1	Very low	92 Å²	92	133.8 Å²	133.8	60%	0.597	71%	0.709	S	S	*	*				-146.4	-168.3	-71.3	39.4	-17.2	0	0	0	115.4
281	N	27.5	Very low	30.3	Very low	128 Å²	128	133.5 Å²	133.5	68%	0.684	71%	0.707	S	S	*	*			trans	74.5	135.9	136.5	-81.6	9.7	0	0	0	124.2
282	N	27.8	Very low	29.9	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	71%	0.711	S	S	*	*			trans	78.6	150.3	136.8	-61.9	-2.5	0	0	0	121.1
283	G	27.6	Very low	30.1	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	71%	0.71	S	S	*	*			trans	106.2	104.5	-176.3	0	0	0	0	0	110.8
284	A	27	Very low	30	Very low	92 Å²	92	133.3 Å²	133.3	76%	0.76	71%	0.714	S	S	*	*			cis	64.8	135.9	46	0	0	0	0	0	112.1
285	F	25.8	Very low	30.3	Very low	172 Å²	172	131.9 Å²	131.9	75%	0.754	71%	0.707	S	S	*	*			cis	-166.1	151.4	10.3	-136.8	-159.1	0	0	0	110.2
286	Q	30.1	Very low	30.2	Very low	117 Å²	117	130.7 Å²	130.7	55%	0.547	71%	0.71	S	S	.	*			trans	64.9	160.4	151.4	-63.9	-178.2	12.2	0	0	118.1
287	R	28.6	Very low	30	Very low	187 Å²	187	128.7 Å²	128.7	71%	0.706	72%	0.717	S	S	*	*			cis	-150.7	158.3	-13.9	-120.3	161.8	-177.4	162.5	-12.5	109.7
288	N	29.2	Very low	29.9	Very low	126 Å²	126	124.1 Å²	124.1	67%	0.674	71%	0.708	S	S	*	*			trans	7.1	150.1	138.5	-44.1	13.6	0	0	0	118
289	D	33.4	Very low	29.9	Very low	130 Å²	130	127.7 Å²	127.7	70%	0.695	72%	0.716	S	S	*	*			cis	-149.5	138.7	39.9	-102.6	-68.1	0	0	0	111.3
290	S	30.8	Very low	29.7	Very low	98 Å²	98	125.1 Å²	125.1	69%	0.685	71%	0.708	S	S	*	*				62.5	145.7	96.8	85.3	0	0	0	0	114.9
291	V	33.1	Very low	29.3	Very low	124 Å²	124	127.6 Å²	127.6	75%	0.752	72%	0.715	S	S	*	*			cis	-131.6	164	22.8	-178.2	0	0	0	0	112
292	S	26.9	Very low	29.6	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	72%	0.716	S	S	*	*			trans	-66.2	-175.5	169.2	58.4	0	0	0	0	112.7
293	V	33.1	Very low	29.7	Very low	131 Å²	131	129.8 Å²	129.8	79%	0.794	72%	0.717	S	S	*	*				-153.8	143.8	65.1	169.5	0	0	0	0	111.4
294	N	26.5	Very low	29.9	Very low	146 Å²	146	129.9 Å²	129.9	78%	0.781	72%	0.718	S	S	*	*			trans	-126.9	177	172.1	-138.8	4.9	0	0	0	105.6
295	P	37.2	Very low	30.3	Very low	84 Å²	84	131.3 Å²	131.3	55%	0.545	71%	0.713	S	S	.	*			cis	-137.3	-162.2	-26.4	39.8	-20.4	0	0	0	112.7
296	Q	26.5	Very low	30.7	Very low	174 Å²	174	130.4 Å²	130.4	81%	0.813	71%	0.709	S	S	*	*			trans	67.2	175.1	146.4	-78.6	177.9	-15.9	0	0	120.7
297	V	28.4	Very low	30.8	Very low	133 Å²	133	131.4 Å²	131.4	81%	0.806	72%	0.718	S	S	*	*			trans	74.5	126.6	167.8	-170.9	0	0	0	0	114.6
298	S	30.6	Very low	30.9	Very low	90 Å²	90	128.8 Å²	128.8	63%	0.629	72%	0.723	S	S	*	*			cis	-154.1	150	-3.7	-130.1	0	0	0	0	114.4
299	Q	29.5	Very low	31	Very low	157 Å²	157	126 Å²	126	73%	0.734	72%	0.724	S	S	*	*				36.7	124.2	127.6	-68.9	-170.3	6.5	0	0	123.7
300	N	27.8	Very low	30.8	Very low	125 Å²	125	126.7 Å²	126.7	67%	0.668	73%	0.727	S	S	*	*				81.5	153.1	118.2	-64.8	-13.8	0	0	0	123.6
301	L	28.8	Very low	30.7	Very low	143 Å²	143	129.9 Å²	129.9	75%	0.749	73%	0.729	S	S	*	*			trans	72.8	141.2	152.8	-103.9	67.9	0	0	0	116.2
302	L	33	Very low	30.5	Very low	134 Å²	134	129.2 Å²	129.2	70%	0.702	73%	0.725	S	S	*	*			cis	-134.3	133.8	7	-82.8	153.5	0	0	0	108.7
303	K	29.9	Very low	30.7	Very low	189 Å²	189	130.2 Å²	130.2	82%	0.822	73%	0.728	S	S	*	*				68.4	131.2	83.2	-75.3	-164.1	-174.7	179.9	0	117.1
304	G	32.5	Very low	30.6	Very low	73 Å²	73	128.6 Å²	128.6	75%	0.753	72%	0.722	S	S	*	*			trans	103.6	139.1	156.6	0	0	0	0	0	115
305	D	34.7	Very low	30.8	Very low	123 Å²	123	128.4 Å²	128.4	66%	0.658	72%	0.721	S	S	*	*			cis	-163.8	160.4	-16.1	-134.1	-8.1	0	0	0	109.5
306	K	34.5	Very low	30.5	Very low	153 Å²	153	130.8 Å²	130.8	67%	0.665	73%	0.734	S	S	*	*			trans	26.1	146.9	144.3	-63.6	157.5	-163.8	148.1	0	120.8
307	N	32.1	Very low	30.5	Very low	137 Å²	137	130.2 Å²	130.2	73%	0.733	73%	0.732	S	S	*	*			cis	-171.5	157.6	-0	-111.8	-1.2	0	0	0	110.9
308	V	29.9	Very low	30.4	Very low	133 Å²	133	130.4 Å²	130.4	81%	0.806	72%	0.723	S	S	*	*			trans	49	119.3	141.7	-178	0	0	0	0	120.7
309	G	32	Very low	30.2	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	73%	0.727	S	S	*	*			trans	95	150.1	143.2	0	0	0	0	0	117.5
310	D	28.5	Very low	30	Very low	143 Å²	143	129.4 Å²	129.4	77%	0.765	72%	0.724	S	S	*	*			cis	-161.9	168.8	-18.6	-147.5	-16.1	0	0	0	110.6
311	F	29.7	Very low	30	Very low	165 Å²	165	131.1 Å²	131.1	72%	0.724	73%	0.732	S	S	*	*			trans	60.2	101.9	167	-82.2	-90	0	0	0	121.5
312	T	29.1	Very low	30.1	Very low	110 Å²	110	131.2 Å²	131.2	68%	0.675	73%	0.733	S	S	*	*				62.1	135.3	128.8	55.5	0	0	0	0	123.4
313	T	31.3	Very low	29.9	Very low	124 Å²	124	128.4 Å²	128.4	76%	0.761	74%	0.736	S	S	*	*			trans	57.9	102.7	160.9	52.7	0	0	0	0	116.1
314	S	29.5	Very low	30.1	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	72%	0.724	S	S	*	*			cis	60.6	116.5	26.2	89.3	0	0	0	0	113.8
315	D	31.5	Very low	29.9	Very low	143 Å²	143	128 Å²	128	77%	0.765	73%	0.727	S	S	*	*			cis	-138.7	147	12.8	-88.1	-47.7	0	0	0	117.3
316	T	30.7	Very low	29.6	Very low	134 Å²	134	131.8 Å²	131.8	82%	0.822	73%	0.732	S	S	*	*			trans	58.2	72.1	156.4	52	0	0	0	0	118.7
317	Q	26.8	Very low	29.5	Very low	162 Å²	162	133.4 Å²	133.4	76%	0.757	74%	0.738	S	S	*	*			trans	-69.3	151.8	136.3	-167.3	179.7	-27.4	0	0	109.8
318	E	25.4	Very low	29.4	Very low	136 Å²	136	132.3 Å²	132.3	64%	0.636	74%	0.742	S	S	*	*			trans	75.6	148.2	148.7	-106.5	171.8	-118.4	0	0	124.8
319	N	26.3	Very low	29.4	Very low	131 Å²	131	131.4 Å²	131.4	70%	0.701	74%	0.736	S	S	*	*			trans	76.6	124.5	145.8	-68.4	-33.1	0	0	0	123.2
320	S	25.9	Very low	29.2	Very low	96 Å²	96	134.4 Å²	134.4	67%	0.671	74%	0.741	S	S	*	*			trans	47.9	105.7	134.6	174.4	0	0	0	0	119
321	L	28.9	Very low	29.4	Very low	160 Å²	160	133.9 Å²	133.9	84%	0.838	74%	0.737	S	S	*	*				-163.9	96	123.6	-106	155.7	0	0	0	113.6	G323	L321-G323 VanDerWaalsContact C-N 3.32Å; L321-G323 PolarHBondContact O-N 3.44Å
322	L	29.3	Very low	29.4	Very low	146 Å²	146	134 Å²	134	76%	0.764	74%	0.742	S	S	*	*				39.2	37.2	125.6	-120	84.3	0	0	0	120.9	Q324	L322-Q324 PolarHBondContact O-N 2.89Å
323	G	30.2	Very low	29.5	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	75%	0.748	S	S	*	*			trans	-63.1	84.9	173.5	0	0	0	0	0	113.4	L321 T325	L321-G323 VanDerWaalsContact C-N 3.32Å; L321-G323 PolarHBondContact O-N 3.44Å; G323-T325 PolarHBondContact O-N 2.9Å
324	Q	34.2	Very low	29.4	Very low	122 Å²	122	140 Å²	140	57%	0.57	76%	0.755	S	S	*	*			trans	-53.6	122	-169.9	-69.6	-173.3	-14.5	0	0	113.8	L322 R326	L322-Q324 PolarHBondContact O-N 2.89Å; Q324-R326 HydrophobicContact CB-CG 4.01Å; Q324-R326 PolarHBondContact O-N 3.36Å
325	T	27.1	Very low	29.5	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	76%	0.761	S	S	*	*			trans	-70.4	70.8	168.4	45	0	0	0	0	111.4	G323 K327	G323-T325 PolarHBondContact O-N 2.9Å; T325-K327 VanDerWaalsContact C-N 3.3Å; T325-K327 PolarHBondContact O-N 3.35Å
326	R	29.9	Very low	29.5	Very low	202 Å²	202	137.9 Å²	137.9	76%	0.762	76%	0.757	S	S	*	*			trans	-68.6	83.3	-179.4	-74.1	-166.2	172.5	-158.4	-2.9	112.2	Q324 S328	Q324-R326 HydrophobicContact CB-CG 4.01Å; Q324-R326 PolarHBondContact O-N 3.36Å; R326-S328 PolarHBondContact O-N 2.98Å
327	K	30.9	Very low	29.4	Very low	186 Å²	186	137.9 Å²	137.9	81%	0.809	76%	0.759	S	S	*	*			trans	-50.4	104.4	153.2	-65.2	174.6	-177.6	171.6	0	107.4	T325 V329	T325-K327 VanDerWaalsContact C-N 3.3Å; T325-K327 PolarHBondContact O-N 3.35Å; K327-V329 PolarHBondContact O-N 3.16Å
328	S	29.7	Very low	29.8	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	76%	0.758	S	S	*	*			trans	-73.5	76.7	179	41.8	0	0	0	0	110.4	R326 T330	R326-S328 PolarHBondContact O-N 2.98Å; S328-T330 PolarHBondContact O-N 3.49Å; S328-T330 VanDerWaalsContact O-N 3.13Å
329	V	29.8	Very low	30.1	Very low	113 Å²	113	136.7 Å²	136.7	69%	0.685	76%	0.762	S	S	*	*			trans	-55.6	118.2	167.2	176.3	0	0	0	0	107.7	K327 I331	K327-V329 PolarHBondContact O-N 3.16Å; V329-I331 VanDerWaalsContact C-N 3.25Å; V329-I331 HydrophobicContact CG1-CG1 4.29Å; V329-I331 PolarHBondContact O-N 3.04Å
330	T	28.7	Very low	30.2	Very low	132 Å²	132	135.9 Å²	135.9	81%	0.81	75%	0.754	S	S	*	*			trans	-68.8	85.4	173.7	-56.4	0	0	0	0	109.2	S328 M332	S328-T330 PolarHBondContact O-N 3.49Å; S328-T330 VanDerWaalsContact O-N 3.13Å; T330-M332 PolarHBondContact O-N 3.35Å
331	I	33.3	Very low	30.4	Very low	132 Å²	132	141.7 Å²	141.7	68%	0.677	77%	0.767	S	S	*	*			trans	-65.3	107.4	173.3	-61.5	179.5	0	0	0	107.5	V329 L333	V329-I331 VanDerWaalsContact C-N 3.25Å; V329-I331 HydrophobicContact CG1-CG1 4.29Å; V329-I331 PolarHBondContact O-N 3.04Å; I331-L333 VanDerWaalsContact C-N 3.27Å; I331-L333 HydrophobicContact CG2-CD2 4.03Å; I331-L333 HydrophobicContact CG2-CG 4.26Å; I331-L333 PolarHBondContact O-N 2.89Å
332	M	28	Very low	30.5	Very low	168 Å²	168	141.4 Å²	141.4	83%	0.828	76%	0.762	S	S	*	*			trans	-77.5	75.4	-174.7	-164.6	-166.8	-43.4	0	0	110.2	T330 K334	T330-M332 PolarHBondContact O-N 3.35Å; M332-K334 PolarHBondContact O-N 3.26Å
333	L	32	Very low	30.5	Very low	154 Å²	154	139.3 Å²	139.3	81%	0.806	76%	0.759	S	S	*	*			trans	-62.2	108.7	177.5	-69.5	-179.5	0	0	0	110.4	I331 A335	I331-L333 VanDerWaalsContact C-N 3.27Å; I331-L333 HydrophobicContact CG2-CD2 4.03Å; I331-L333 HydrophobicContact CG2-CG 4.26Å; I331-L333 PolarHBondContact O-N 2.89Å; L333-A335 PolarHBondContact O-N 2.88Å
334	K	28.7	Very low	30.5	Very low	205 Å²	205	142.8 Å²	142.8	89%	0.891	77%	0.766	S	S	*	*			trans	-71.1	85.8	177.6	-116.8	-180	177.2	179.7	0	109.7	M332	M332-K334 PolarHBondContact O-N 3.26Å
335	A	32.2	Very low	30.4	Very low	98 Å²	98	147.6 Å²	147.6	81%	0.81	78%	0.779	S	S	*	*			trans	-74.1	125.9	167.6	0	0	0	0	0	110.2	L333	L333-A335 PolarHBondContact O-N 2.88Å
336	S	30.4	Very low	30.5	Very low	97 Å²	97	146.6 Å²	146.6	68%	0.678	78%	0.777	S	S	*	*			trans	-70	146.2	-176.5	-57.2	0	0	0	0	112.9	T338	S336-T338 PolarHBondContact O-N 2.86Å; S336-T338 VanDerWaalsContact O-N 3.17Å
337	P	29.9	Very low	30.5	Very low	134 Å²	134	144.8 Å²	144.8	87%	0.87	78%	0.782	S	S	*	*			trans	-83.2	87.2	175.2	33.7	-33.7	0	0	0	111.3
338	T	34.2	Very low	30.6	Very low	119 Å²	119	144.6 Å²	144.6	73%	0.73	78%	0.783	S	S	*	*			trans	-94.7	123.7	171.4	45.2	0	0	0	0	112.2	S336	S336-T338 PolarHBondContact O-N 2.86Å; S336-T338 VanDerWaalsContact O-N 3.17Å
339	H	31.8	Very low	30.5	Very low	154 Å²	154	151 Å²	151	71%	0.713	79%	0.79	S	S	*	*				20.5	137	130	-70.6	-108.9	0	0	0	118.5
340	E	29.2	Very low	30.5	Very low	113 Å²	113	150.3 Å²	150.3	53%	0.528	79%	0.79	S	S	.	*			cis	-168.4	151.8	-4.2	-130.5	175.1	144.9	0	0	109.8	Q342	E340-Q342 HydrophobicContact CG-CG 4.43Å; E340-Q342 PolarHBondContact OE1-NE2 3.19Å
341	F	29.8	Very low	30.7	Very low	218 Å²	218	152 Å²	152	96%	0.956	79%	0.794	S	S	*	*			trans	-160.9	114.3	144.8	-119.7	-74.9	0	0	0	109
342	Q	31.2	Very low	30.5	Very low	155 Å²	155	151.1 Å²	151.1	72%	0.724	80%	0.799	S	S	*	*			trans	-83.1	160.2	-165.1	-65.3	-166	12.2	0	0	114.6	E340	E340-Q342 HydrophobicContact CG-CG 4.43Å; E340-Q342 PolarHBondContact OE1-NE2 3.19Å
343	S	29	Very low	30.8	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	79%	0.789	S	S	*	*			trans	-52.5	130.6	177.4	175	0	0	0	0	114.8	R345	S343-R345 PolarHBondContact O-N 3.32Å; S343-R345 PolarHBondContact OG-N 2.88Å
344	T	30	Very low	30.8	Very low	148 Å²	148	147.3 Å²	147.3	91%	0.908	79%	0.789	S	S	*	*			trans	-92	71.6	160.4	44	0	0	0	0	111.4
345	R	32.2	Very low	30.9	Very low	223 Å²	223	141.4 Å²	141.4	84%	0.842	77%	0.773	S	S	*	*			trans	-151.7	138	165.9	-135.4	174.1	-174.6	178.2	1.5	112.8	S343	S343-R345 PolarHBondContact O-N 3.32Å; S343-R345 PolarHBondContact OG-N 2.88Å
346	S	29.4	Very low	30.9	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	78%	0.776	S	S	*	*			trans	62.6	83.5	171.1	57.4	0	0	0	0	119.5
347	L	30.8	Very low	31	Very low	165 Å²	165	146.9 Å²	146.9	86%	0.864	78%	0.78	S	S	*	*				-120.8	149	125.4	-65.7	171.5	0	0	0	106
348	H	32.9	Very low	31.1	Very low	182 Å²	182	148 Å²	148	84%	0.843	78%	0.778	S	S	*	*			cis	-111.5	171.6	4.9	-64.7	-77.8	0	0	0	113.4
349	R	26.8	Very low	31.1	Very low	250 Å²	250	146.9 Å²	146.9	94%	0.943	77%	0.773	S	S	*	*			trans	-155.8	81.8	167	-161.8	-176.9	-153.9	-105.8	3	113.2
350	S	30.2	Very low	31	Very low	98 Å²	98	146.8 Å²	146.8	69%	0.685	78%	0.778	S	S	*	*			trans	-163.9	98.9	168.5	51.6	0	0	0	0	112.5
351	N	33.5	Very low	31.2	Very low	166 Å²	166	147.7 Å²	147.7	89%	0.888	79%	0.791	S	S	*	*				170	163.5	127.4	-82.1	-5.2	0	0	0	111.8
352	S	27.6	Very low	31.4	Very low	114 Å²	114	143 Å²	143	80%	0.797	78%	0.78	S	S	*	*			trans	-163.6	172.7	-172.2	-136.1	0	0	0	0	107.8
353	P	34.9	Very low	31.4	Very low	94 Å²	94	140 Å²	140	61%	0.61	78%	0.776	S	S	*	*			cis	-129.6	-154.7	-3.6	36.7	-15.5	0	0	0	112.5
354	N	31.5	Very low	31.6	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	78%	0.782	S	S	*	*			trans	75.2	152.1	164.5	-57.6	-21.4	0	0	0	118.4
355	S	30.6	Very low	31.7	Very low	81 Å²	81	144.4 Å²	144.4	57%	0.566	78%	0.776	S	S	*	*			cis	-172.2	153.2	-28.7	63.4	0	0	0	0	110.2
356	K	33.5	Very low	31.8	Very low	198 Å²	198	139.3 Å²	139.3	86%	0.861	77%	0.77	S	S	*	*			trans	69.1	156.7	167.5	-53.3	167	-173	176.9	0	114.5
357	S	32.9	Very low	32	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	76%	0.76	S	S	*	*			cis	-161.3	174.1	-17.5	42	0	0	0	0	111.8
358	L	30.6	Very low	32.2	Very low	158 Å²	158	139.2 Å²	139.2	83%	0.827	76%	0.759	S	S	*	*			trans	-70.6	-175.1	176.8	-79.5	86	0	0	0	114.2
359	P	35.3	Very low	32.2	Very low	95 Å²	95	140 Å²	140	62%	0.617	76%	0.76	S	S	*	*			cis	-143.6	178.1	-44.7	40.4	-23.4	0	0	0	116.2
360	N	30.1	Very low	32.2	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	75%	0.749	S	S	*	*			trans	57.8	160.8	144.2	-71.6	-5	0	0	0	124
361	T	32.4	Very low	32.2	Very low	132 Å²	132	138.9 Å²	138.9	81%	0.81	76%	0.755	S	S	*	*			trans	107.7	140.3	151	-50.1	0	0	0	0	118
362	V	33.6	Very low	32	Very low	121 Å²	121	137.6 Å²	137.6	73%	0.733	74%	0.744	S	S	*	*			cis	-163.5	142.9	-40.6	80.5	0	0	0	0	113.6
363	S	31.4	Very low	32.3	Very low	91 Å²	91	137.5 Å²	137.5	64%	0.636	74%	0.74	S	S	*	*			trans	75.1	161	150.7	80.7	0	0	0	0	124.3
364	K	33.8	Very low	32.2	Very low	189 Å²	189	140 Å²	140	82%	0.822	75%	0.754	S	S	*	*			trans	80.4	146.3	160.7	-67.8	175.2	-178.7	177.9	0	119.4
365	L	31.3	Very low	31.9	Very low	152 Å²	152	138.1 Å²	138.1	80%	0.796	75%	0.752	S	S	*	*			cis	-168.9	-175.6	-29.1	-151.3	88.8	0	0	0	110.1
366	V	34.9	Very low	32	Very low	117 Å²	117	141 Å²	141	71%	0.709	77%	0.766	S	S	*	*			trans	76	123.4	167.6	-172.7	0	0	0	0	115.3
367	S	33.5	Very low	31.7	Very low	81 Å²	81	137.3 Å²	137.3	57%	0.566	76%	0.76	S	S	*	*			cis	91	133.5	12.5	97.7	0	0	0	0	116.8
368	K	35.9	Very low	31.7	Very low	193 Å²	193	136.9 Å²	136.9	84%	0.839	76%	0.758	S	S	*	*			cis	-115.5	-140	12.1	-55.8	93.4	-174.2	-177.8	0	109.9
369	K	32.6	Very low	31.6	Very low	197 Å²	197	138.5 Å²	138.5	86%	0.857	76%	0.758	S	S	*	*			cis	-147.1	-174.5	1.2	-158.8	-167.2	173.6	-176.1	0	108.2
370	R	25.7	Very low	31.4	Very low	193 Å²	193	139.7 Å²	139.7	73%	0.728	76%	0.763	S	S	*	*			trans	-153.2	148.4	-177.1	169.6	-176.1	174	-167.4	0.4	111
371	V	31.3	Very low	31.3	Very low	132 Å²	132	140.2 Å²	140.2	80%	0.8	76%	0.761	S	S	*	*			trans	-142.7	157.4	157.4	-175.8	0	0	0	0	107.8
372	Q	28.4	Very low	31.4	Very low	140 Å²	140	141.7 Å²	141.7	65%	0.654	76%	0.763	S	S	*	*			trans	-142.3	167.5	-179.3	-106.5	-176.8	-41.4	0	0	111.6
373	P	35.1	Very low	31.1	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	76%	0.764	S	S	*	*			trans	-101.1	165	-160.8	39.3	-37.6	0	0	0	115.6
374	T	31.3	Very low	31.2	Very low	146 Å²	146	145 Å²	145	90%	0.896	77%	0.774	S	S	*	*			trans	-148	157.8	159.6	35.7	0	0	0	0	111.8
375	S	27	Very low	30.9	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	78%	0.776	S	S	*	*			trans	-73.5	163.9	-178.5	51.7	0	0	0	0	116.1
376	V	32.1	Very low	31	Very low	141 Å²	141	141.4 Å²	141.4	86%	0.855	78%	0.78	S	S	*	*				-159.3	164.9	128.9	138.6	0	0	0	0	109.4
377	T	27.4	Very low	30.7	Very low	121 Å²	121	141.7 Å²	141.7	74%	0.742	79%	0.787	S	S	*	*			trans	-106	176.4	-162.3	45.1	0	0	0	0	116.5
378	S	32.1	Very low	30.7	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	80%	0.804	S	S	*	*			trans	84.1	125.7	149.5	60.5	0	0	0	0	121.8
379	K	28.3	Very low	30.5	Very low	192 Å²	192	143.5 Å²	143.5	84%	0.835	80%	0.802	S	S	*	*			trans	33.6	146.3	131.8	-54.3	-172.2	177.4	-171.7	0	119.3
380	T	31.3	Very low	30.3	Very low	119 Å²	119	141.9 Å²	141.9	73%	0.73	80%	0.802	S	S	*	*			cis	-152.5	-177.5	31.6	-31.4	0	0	0	0	111.4
381	E	27.8	Very low	30.5	Very low	163 Å²	163	138.6 Å²	138.6	76%	0.762	81%	0.806	S	S	*	*			trans	-65	154.3	-179.3	-57.6	116.6	141.5	0	0	114.8
382	L	34.1	Very low	30.4	Very low	164 Å²	164	138 Å²	138	86%	0.859	81%	0.807	S	S	*	*				-175.7	164.7	108.7	-94.3	168.1	0	0	0	112.1
383	D	27.3	Very low	30.3	Very low	139 Å²	139	136.9 Å²	136.9	74%	0.743	81%	0.814	S	S	*	*			trans	-84.1	161.1	-162.8	-46.9	-92.1	0	0	0	116.3
384	V	34.3	Very low	30.1	Very low	141 Å²	141	140.7 Å²	140.7	86%	0.855	82%	0.822	S	S	*	*				173.4	139.8	115.8	157.7	0	0	0	0	110.5
385	D	27.5	Very low	29.9	Very low	161 Å²	161	141.6 Å²	141.6	86%	0.861	82%	0.821	S	S	*	*			trans	-70.2	146.6	-178.7	-62.8	-80.5	0	0	0	115.5
386	A	32.4	Very low	30.5	Very low	106 Å²	106	144.2 Å²	144.2	88%	0.876	82%	0.821	S	S	*	*			trans	-152.5	122.4	146.8	0	0	0	0	0	110.5
387	S	29	Very low	31.2	Very low	123 Å²	123	142.2 Å²	142.2	86%	0.86	81%	0.814	S	S	*	*			trans	-83.2	144.5	-175.2	57.2	0	0	0	0	114.1
388	E	33.5	Very low	33	Very low	196 Å²	196	142.4 Å²	142.4	92%	0.916	82%	0.817	S	S	*	*			trans	-136.4	159	152.1	-143.2	170	-148	0	0	110.4
389	S	32.5	Very low	34.7	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-97.8	147.1	-141.5	49.2	0	0	0	0	117.9
390	L	27.5	Very low	37.2	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-83.5	148.7	163.8	-76.8	164	0	0	0	111.2
391	P	30.6	Very low	39.6	Very low	125 Å²	125	131.4 Å²	131.4	81%	0.812	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-69	140	161.5	30.5	-32.9	0	0	0	110.5
392	S	29	Very low	42.5	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-86.4	168.1	-170.8	53.7	0	0	0	0	114.9
393	C	26.1	Very low	45.2	Very low	117 Å²	117	120.7 Å²	120.7	79%	0.791	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-60.4	158.1	-177	-51.9	0	0	0	0	115.5
394	E	31.2	Very low	48.2	Very low	191 Å²	191	114.5 Å²	114.5	89%	0.893	68%	0.679	S	S	*	*			trans	-112.7	140.9	143.7	-72.2	-165.9	142.5	0	0	109.4	Q396	E394-Q396 PolarHBondContact O-N 2.93Å
395	D	27.6	Very low	50.9	Low	164 Å²	164	110.7 Å²	110.7	88%	0.877	66%	0.659	S	S	*	*			trans	-73.2	117.6	-174	-70.6	-61.9	0	0	0	113.3
396	Q	39.1	Very low	54	Low	166 Å²	166	106.8 Å²	106.8	78%	0.776	63%	0.634	S	S	*	*			trans	-98.4	93.5	164.2	-66.7	-163.6	28.7	0	0	110.6	E394	E394-Q396 PolarHBondContact O-N 2.93Å
397	S	47.4	Very low	56.9	Low	99 Å²	99	101.7 Å²	101.7	69%	0.692	59%	0.593	S	S	*	*			trans	-53.7	143.4	168.5	56.7	0	0	0	0	111.5	I399	S397-I399 PolarHBondContact O-N 3.13Å; S397-I399 VanDerWaalsContact O-N 3.17Å
398	P	63.6	Low	59.9	Low	125 Å²	125	98 Å²	98	81%	0.812	56%	0.562	S	S	*	*			trans	-61.7	121	-174.4	23.6	-33.7	0	0	0	111.4	S400	P398-S400 PolarHBondContact O-N 2.86Å
399	I	69	Low	62.7	Low	29 Å²	29	93.7 Å²	93.7	15%	0.149	55%	0.546	C	S	.	.			trans	-64	110.8	178.9	-57.4	-177.3	0	0	0	108.8	S397 I403 M404 L440 S443 I447	S397-I399 PolarHBondContact O-N 3.13Å; S397-I399 VanDerWaalsContact O-N 3.17Å; I399-I403 HydrophobicContact CG2-CB 4.09Å; I399-I403 HydrophobicContact CG2-CD1 4.49Å; I399-I403 HydrophobicContact CG2-CG2 4.13Å; I399-M404 HydrophobicContact CG2-CG 4.38Å; I399-M404 WeakPolarHBondContact O-CE 3.24Å; I399-L440 HydrophobicContact CD1-CD1 3.77Å; I399-L440 HydrophobicContact CG1-CD1 3.82Å; I399-L440 HydrophobicContact CG2-CD1 4.31Å; I399-S443 VanDerWaalsContact CD1-CB 3.42Å; I399-I447 HydrophobicContact CB-CD1 4.45Å; I399-I447 HydrophobicContact CD1-CD1 3.95Å; I399-I447 HydrophobicContact CG1-CD1 4.45Å
400	S	80.2	Confident	65.5	Low	59 Å²	59	88.9 Å²	88.9	41%	0.413	51%	0.511	S	S	.	.			trans	-57.1	141.8	-178	66.7	0	0	0	0	112.8	P398 S402 I403 M404	P398-S400 PolarHBondContact O-N 2.86Å; S400-S402 PolarHBondContact O-N 3.13Å; S400-I403 WeakPolarHBondContact O-CB 3.21Å; S400-I403 PolarHBondContact O-N 3.19Å; S400-M404 PolarHBondContact O-N 2.98Å
401	D	82.6	Confident	68.6	Low	94 Å²	94	81.4 Å²	81.4	50%	0.503	47%	0.472	S	S	.	.	H	α-helix	trans	-61.5	-18.4	179.5	-59.2	-82.6	0	0	0	113.1	I403 M404 S405 R451	D401-I403 VanDerWaalsContact C-N 3.3Å; D401-I403 PolarHBondContact O-N 2.57Å; D401-M404 HydrophobicContact CB-CE 4.31Å; D401-M404 WeakPolarHBondContact OD1-CE 3.13Å; D401-S405 VanDerWaalsContact O-CB 3.23Å; D401-S405 WeakPolarHBondContact O-CB 3.47Å; D401-S405 PolarHBondContact O-N 2.64Å; D401-S405 PolarHBondContact O-OG 3.13Å; D401-R451 IonicContact OD1-CZ 3.66Å; D401-R451 IonicContact OD1-NH1 2.76Å; D401-R451 PolarHBondContact OD1-NH1 2.93Å; D401-R451 IonicContact OD1-NH2 2.79Å
402	S	88.2	Confident	71.4	Confident	68 Å²	68	78.4 Å²	78.4	48%	0.476	45%	0.451	S	S	.	.	H	α-helix	trans	-58.7	-38.2	168.5	-175.3	0	0	0	0	112.7	S400 K406	S400-S402 PolarHBondContact O-N 3.13Å; S402-K406 WeakPolarHBondContact O-CG 3.35Å; S402-K406 PolarHBondContact O-N 2.71Å
403	I	89.9	Confident	74.3	Confident	34 Å²	34	77.8 Å²	77.8	17%	0.174	44%	0.435	C	S	.	.	H	α-helix	trans	-76.8	-45.9	-179.9	-62.5	171.1	0	0	0	110	I399 S400 D401 S405 K406 V407 I436 L440	I399-I403 HydrophobicContact CG2-CB 4.09Å; I399-I403 HydrophobicContact CG2-CD1 4.49Å; I399-I403 HydrophobicContact CG2-CG2 4.13Å; S400-I403 WeakPolarHBondContact O-CB 3.21Å; S400-I403 PolarHBondContact O-N 3.19Å; D401-I403 VanDerWaalsContact C-N 3.3Å; D401-I403 PolarHBondContact O-N 2.57Å; I403-S405 VanDerWaalsContact C-N 3.26Å; I403-S405 PolarHBondContact O-N 2.79Å; I403-K406 WeakPolarHBondContact O-CB 3.36Å; I403-K406 PolarHBondContact O-N 2.91Å; I403-K406 VanDerWaalsContact O-N 3.14Å; I403-V407 WeakPolarHBondContact O-CG2 3.39Å; I403-V407 PolarHBondContact O-N 3.42Å; I403-I436 HydrophobicContact CG2-CD1 4.37Å; I403-I436 HydrophobicContact CG2-CG2 4.32Å; I403-L440 HydrophobicContact CD1-CD2 3.87Å; I403-L440 HydrophobicContact CG2-CD2 4.47Å; I403-L440 HydrophobicContact CG2-CG 4.35Å
404	M	91.4	Very high	77.3	Confident	9 Å²	9	72.3 Å²	72.3	4%	0.044	40%	0.398	C	S	.	.	H	α-helix	trans	-60	-37.2	174.4	-71.1	-175.6	-75	0	0	112.1	I399 S400 D401 V407 M408 I447 L448	I399-M404 HydrophobicContact CG2-CG 4.38Å; I399-M404 WeakPolarHBondContact O-CE 3.24Å; S400-M404 PolarHBondContact O-N 2.98Å; D401-M404 HydrophobicContact CB-CE 4.31Å; D401-M404 WeakPolarHBondContact OD1-CE 3.13Å; M404-V407 PolarHBondContact O-N 3.35Å; M404-M408 WeakPolarHBondContact O-CG 3.49Å; M404-M408 PolarHBondContact O-N 3.23Å; M404-I447 HydrophobicContact SD-CB 4.14Å; M404-I447 HydrophobicContact SD-CG2 3.55Å; M404-I447 VanDerWaalsContact SD-CG2 3.55Å; M404-L448 HydrophobicContact CB-CD2 4.49Å
405	S	89.7	Confident	79.9	Confident	62 Å²	62	68.8 Å²	68.8	43%	0.434	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.1	-62.4	0	0	0	0	112.5	D401 I403 M408 N409	D401-S405 VanDerWaalsContact O-CB 3.23Å; D401-S405 WeakPolarHBondContact O-CB 3.47Å; D401-S405 PolarHBondContact O-N 2.64Å; D401-S405 PolarHBondContact O-OG 3.13Å; I403-S405 VanDerWaalsContact C-N 3.26Å; I403-S405 PolarHBondContact O-N 2.79Å; S405-M408 PolarHBondContact O-N 3Å; S405-N409 WeakPolarHBondContact O-CB 3.48Å; S405-N409 VanDerWaalsContact O-CG 3.25Å; S405-N409 PolarHBondContact O-N 3.19Å; S405-N409 PolarHBondContact O-ND2 3.34Å
406	K	93.1	Very high	82.5	Confident	78 Å²	78	66.7 Å²	66.7	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-44.2	174.6	-74.5	168.2	-171	176.1	0	112	S402 I403 N409 I410 H434 I436	S402-K406 WeakPolarHBondContact O-CG 3.35Å; S402-K406 PolarHBondContact O-N 2.71Å; I403-K406 WeakPolarHBondContact O-CB 3.36Å; I403-K406 PolarHBondContact O-N 2.91Å; I403-K406 VanDerWaalsContact O-N 3.14Å; K406-N409 PolarHBondContact O-N 2.79Å; K406-I410 PolarHBondContact O-N 3.03Å; K406-H434 HydrophobicContact CD-CB 4.44Å; K406-I436 HydrophobicContact CB-CD1 4.12Å; K406-I436 HydrophobicContact CD-CD1 4.32Å
407	V	94	Very high	84.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-45.6	176.7	175.8	0	0	0	0	111.2	I403 M404 N409 I410 V411 V426 V441 L445 L448	I403-V407 WeakPolarHBondContact O-CG2 3.39Å; I403-V407 PolarHBondContact O-N 3.42Å; M404-V407 PolarHBondContact O-N 3.35Å; V407-N409 PolarHBondContact O-N 2.82Å; V407-I410 PolarHBondContact O-N 2.94Å; V407-V411 PolarHBondContact O-N 2.94Å; V407-V411 VanDerWaalsContact O-N 3.11Å; V407-V426 HydrophobicContact CG1-CG1 4.47Å; V407-V441 HydrophobicContact CG1-CG1 4.47Å; V407-V441 HydrophobicContact CG2-CG1 4.17Å; V407-L445 HydrophobicContact CG1-CD2 3.63Å; V407-L445 HydrophobicContact CG1-CG 3.88Å; V407-L448 HydrophobicContact CB-CD1 4.43Å; V407-L448 HydrophobicContact CG1-CD1 4.11Å
408	M	91.5	Very high	86.4	Confident	45 Å²	45	70.1 Å²	70.1	22%	0.222	37%	0.366	C	S	.	.	H	α-helix	trans	-62	-40.2	176.1	-78.5	-65.6	-80.4	0	0	112.7	M404 S405 I410 V411 V412 L448 H453 L454	M404-M408 WeakPolarHBondContact O-CG 3.49Å; M404-M408 PolarHBondContact O-N 3.23Å; S405-M408 PolarHBondContact O-N 3Å; M408-I410 VanDerWaalsContact C-N 3.29Å; M408-I410 PolarHBondContact O-N 3.34Å; M408-V411 PolarHBondContact O-N 2.87Å; M408-V412 WeakPolarHBondContact O-CB 3.37Å; M408-V412 WeakPolarHBondContact O-CG2 3.44Å; M408-V412 PolarHBondContact O-N 3.04Å; M408-L448 HydrophobicContact CG-CD1 3.65Å; M408-L448 HydrophobicContact CG-CD2 3.63Å; M408-L448 HydrophobicContact CG-CG 4.29Å; M408-L448 HydrophobicContact SD-CD1 3.89Å; M408-L448 HydrophobicContact SD-CD2 3.92Å; M408-L448 HydrophobicContact SD-CG 4.41Å; M408-H453 HydrophobicContact CE-CB 4.14Å; M408-L454 HydrophobicContact CE-CD2 4.34Å; M408-L454 HydrophobicContact SD-CD1 3.82Å; M408-L454 HydrophobicContact SD-CD2 3.88Å; M408-L454 HydrophobicContact SD-CG 3.79Å
409	N	91.5	Very high	87.3	Confident	106 Å²	106	72 Å²	72	57%	0.567	36%	0.357	S	S	*	.	H	α-helix	trans	-59.6	-38.7	176.1	-77.1	-23.5	0	0	0	112.2	S405 K406 V407 V412 H413	S405-N409 WeakPolarHBondContact O-CB 3.48Å; S405-N409 VanDerWaalsContact O-CG 3.25Å; S405-N409 PolarHBondContact O-N 3.19Å; S405-N409 PolarHBondContact O-ND2 3.34Å; K406-N409 PolarHBondContact O-N 2.79Å; V407-N409 PolarHBondContact O-N 2.82Å; N409-V412 PolarHBondContact O-N 3.35Å; N409-H413 VanDerWaalsContact O-CB 3.24Å; N409-H413 WeakPolarHBondContact O-CB 3.2Å; N409-H413 PolarHBondContact O-N 2.8Å
410	I	93	Very high	88	Confident	13 Å²	13	75.1 Å²	75.1	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-68.8	-40.9	175.4	-74.1	169.4	0	0	0	111.7	K406 V407 M408 V412 H413 L414 V426 L429 C430	K406-I410 PolarHBondContact O-N 3.03Å; V407-I410 PolarHBondContact O-N 2.94Å; M408-I410 VanDerWaalsContact C-N 3.29Å; M408-I410 PolarHBondContact O-N 3.34Å; I410-V412 PolarHBondContact O-N 2.94Å; I410-H413 PolarHBondContact O-N 2.63Å; I410-L414 HydrophobicContact CG2-CD1 4.36Å; I410-L414 WeakPolarHBondContact O-CG 3.42Å; I410-L414 PolarHBondContact O-N 2.92Å; I410-V426 HydrophobicContact CG2-CG1 4.35Å; I410-L429 HydrophobicContact CD1-CB 4.32Å; I410-L429 HydrophobicContact CG2-CB 3.77Å; I410-L429 HydrophobicContact CG2-CD1 4.15Å; I410-C430 HydrophobicContact CD1-CB 4.26Å; I410-C430 VanDerWaalsContact CD1-SG 3.57Å
411	V	91.7	Very high	88.4	Confident	6 Å²	6	73 Å²	73	4%	0.036	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-40.3	175.4	175.8	0	0	0	0	111.5	V407 M408 K415 P421 V426 L445 L454	V407-V411 PolarHBondContact O-N 2.94Å; V407-V411 VanDerWaalsContact O-N 3.11Å; M408-V411 PolarHBondContact O-N 2.87Å; V411-K415 WeakPolarHBondContact O-CB 3.35Å; V411-K415 PolarHBondContact O-N 2.88Å; V411-K415 VanDerWaalsContact O-N 3.1Å; V411-P421 HydrophobicContact CG1-CB 4.29Å; V411-P421 HydrophobicContact CG1-CG 4.17Å; V411-V426 HydrophobicContact CG2-CG1 4.34Å; V411-V426 HydrophobicContact CG2-CG2 4.14Å; V411-L445 HydrophobicContact CG2-CD2 4.48Å; V411-L454 HydrophobicContact CG1-CD2 3.95Å
412	V	88.6	Confident	88.9	Confident	63 Å²	63	69.6 Å²	69.6	38%	0.382	33%	0.334	S	S	.	.	H	α-helix	trans	-68.5	-40.1	174.5	172.2	0	0	0	0	111.6	M408 N409 I410 K415 N416	M408-V412 WeakPolarHBondContact O-CB 3.37Å; M408-V412 WeakPolarHBondContact O-CG2 3.44Å; M408-V412 PolarHBondContact O-N 3.04Å; N409-V412 PolarHBondContact O-N 3.35Å; I410-V412 PolarHBondContact O-N 2.94Å; V412-K415 WeakPolarHBondContact O-CB 3.37Å; V412-K415 PolarHBondContact O-N 2.96Å; V412-N416 VanDerWaalsContact O-CG 3.27Å; V412-N416 PolarHBondContact O-N 3.05Å; V412-N416 PolarHBondContact O-OD1 2.71Å
413	H	89.9	Confident	89.1	Confident	105 Å²	105	68.5 Å²	68.5	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-45.6	175.8	-176.6	83	0	0	0	111.7	N409 I410 K415 N416 L417	N409-H413 VanDerWaalsContact O-CB 3.24Å; N409-H413 WeakPolarHBondContact O-CB 3.2Å; N409-H413 PolarHBondContact O-N 2.8Å; I410-H413 PolarHBondContact O-N 2.63Å; H413-K415 VanDerWaalsContact C-N 3.34Å; H413-K415 PolarHBondContact O-N 3.27Å; H413-N416 PolarHBondContact O-N 2.97Å; H413-L417 WeakPolarHBondContact NE2-CD1 3.41Å; H413-L417 WeakPolarHBondContact O-CG 3.48Å; H413-L417 PolarHBondContact O-N 3.37Å
414	L	90.2	Very high	89.2	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-41.2	174.4	-74.3	172.8	0	0	0	112.5	I410 L417 R418 R419 P421 L425 V426 L429	I410-L414 HydrophobicContact CG2-CD1 4.36Å; I410-L414 WeakPolarHBondContact O-CG 3.42Å; I410-L414 PolarHBondContact O-N 2.92Å; L414-L417 CarbonylContact O-C 3.48Å; L414-L417 PolarHBondContact O-N 2.76Å; L414-R418 PolarHBondContact O-N 2.91Å; L414-R419 CarbonylContact C-O 3.56Å; L414-R419 HydrophobicContact CD2-CB 4.23Å; L414-R419 PolarHBondContact O-N 3.24Å; L414-R419 VanDerWaalsContact O-O 3.13Å; L414-P421 HydrophobicContact CB-CB 4.21Å; L414-P421 HydrophobicContact CD1-CB 3.8Å; L414-L425 HydrophobicContact CD1-CD2 4.17Å; L414-L425 HydrophobicContact CD1-CG 4.09Å; L414-L425 HydrophobicContact CD2-CD2 3.69Å; L414-L425 HydrophobicContact CD2-CG 4.07Å; L414-V426 HydrophobicContact CD1-CG2 4Å; L414-L429 HydrophobicContact CD1-CD1 4.05Å; L414-L429 HydrophobicContact CD2-CD1 3.73Å; L414-L429 HydrophobicContact CG-CD1 3.99Å
415	K	85.2	Confident	89.2	Confident	116 Å²	116	75.9 Å²	75.9	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-60.2	-43.2	173.8	178.7	-178.8	177	179.2	0	111.8	V411 V412 H413 R418 S467	V411-K415 WeakPolarHBondContact O-CB 3.35Å; V411-K415 PolarHBondContact O-N 2.88Å; V411-K415 VanDerWaalsContact O-N 3.1Å; V412-K415 WeakPolarHBondContact O-CB 3.37Å; V412-K415 PolarHBondContact O-N 2.96Å; H413-K415 VanDerWaalsContact C-N 3.34Å; H413-K415 PolarHBondContact O-N 3.27Å; K415-R418 WeakPolarHBondContact O-CA 3.17Å; K415-R418 PolarHBondContact O-N 2.82Å; K415-S467 PolarHBondContact NZ-OG 2.89Å
416	N	83	Confident	89.4	Confident	120 Å²	120	72.9 Å²	72.9	64%	0.642	34%	0.336	S	S	*	.	H	α-helix	trans	-66.7	-37.9	177.7	-68.9	-9.5	0	0	0	112	V412 H413 R418	V412-N416 VanDerWaalsContact O-CG 3.27Å; V412-N416 PolarHBondContact O-N 3.05Å; V412-N416 PolarHBondContact O-OD1 2.71Å; H413-N416 PolarHBondContact O-N 2.97Å; N416-R418 PolarHBondContact O-N 3.36Å; N416-R418 VanDerWaalsContact O-N 3.12Å
417	L	85.8	Confident	89.4	Confident	101 Å²	101	70 Å²	70	53%	0.529	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	5.5	170.1	-66.7	-179.2	0	0	0	114.1	H413 L414 R419	H413-L417 WeakPolarHBondContact NE2-CD1 3.41Å; H413-L417 WeakPolarHBondContact O-CG 3.48Å; H413-L417 PolarHBondContact O-N 3.37Å; L414-L417 CarbonylContact O-C 3.48Å; L414-L417 PolarHBondContact O-N 2.76Å; L417-R419 PolarHBondContact O-N 2.83Å; L417-R419 VanDerWaalsContact O-N 3.08Å
418	R	82.1	Confident	89.3	Confident	237 Å²	237	72.6 Å²	72.6	89%	0.894	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	21.2	-174.8	-57.6	-178	176.8	177.7	-0.2	114.2	L414 K415 N416	L414-R418 PolarHBondContact O-N 2.91Å; K415-R418 WeakPolarHBondContact O-CA 3.17Å; K415-R418 PolarHBondContact O-N 2.82Å; N416-R418 PolarHBondContact O-N 3.36Å; N416-R418 VanDerWaalsContact O-N 3.12Å
419	R	83.4	Confident	89.4	Confident	163 Å²	163	72 Å²	72	62%	0.615	34%	0.343	S	S	*	.			trans	-91	148.8	175.1	-76.9	-173.8	160.4	-161.7	-6.3	110.4	L414 L417 P421	L414-R419 CarbonylContact C-O 3.56Å; L414-R419 HydrophobicContact CD2-CB 4.23Å; L414-R419 PolarHBondContact O-N 3.24Å; L414-R419 VanDerWaalsContact O-O 3.13Å; L417-R419 PolarHBondContact O-N 2.83Å; L417-R419 VanDerWaalsContact O-N 3.08Å; R419-P421 WeakPolarHBondContact O-CD 3.34Å
420	R	82.6	Confident	89.5	Confident	96 Å²	96	67 Å²	67	36%	0.362	32%	0.316	S	S	.	.			trans	-77.9	120.3	173.4	-173.1	177.5	-175.4	171.5	-1.8	108.5	V422 S464	R420-V422 VanDerWaalsContact C-N 3.32Å; R420-V422 HydrophobicContact CG-CG2 4.27Å; R420-V422 PolarHBondContact O-N 3.23Å; R420-S464 VanDerWaalsContact CZ-OG 3.23Å; R420-S464 VanDerWaalsContact NE-CB 3.33Å; R420-S464 PolarHBondContact NE-OG 2.87Å; R420-S464 PolarHBondContact NH2-OG 2.87Å
421	P	89.7	Confident	89.4	Confident	13 Å²	13	72.9 Å²	72.9	8%	0.084	34%	0.343	C	S	.	.			trans	-71.6	87.8	172	31	-37.7	0	0	0	110.4	V411 L414 R419 V426 S464 Y465	V411-P421 HydrophobicContact CG1-CB 4.29Å; V411-P421 HydrophobicContact CG1-CG 4.17Å; L414-P421 HydrophobicContact CB-CB 4.21Å; L414-P421 HydrophobicContact CD1-CB 3.8Å; R419-P421 WeakPolarHBondContact O-CD 3.34Å; P421-V426 HydrophobicContact CB-CG2 3.91Å; P421-S464 CarbonylContact O-C 3.59Å; P421-S464 WeakPolarHBondContact O-CA 3.29Å; P421-S464 VanDerWaalsContact O-CB 3.26Å; P421-S464 WeakPolarHBondContact O-CB 3.46Å; P421-Y465 WeakPolarHBondContact CG-O 3.37Å; P421-Y465 PolarHBondContact O-N 3.16Å
422	V	92	Very high	89.4	Confident	23 Å²	23	80.5 Å²	80.5	14%	0.139	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-78.7	145.8	167.3	177.8	0	0	0	0	108.5	R420 E424 L425 V426 K461 I463	R420-V422 VanDerWaalsContact C-N 3.32Å; R420-V422 HydrophobicContact CG-CG2 4.27Å; R420-V422 PolarHBondContact O-N 3.23Å; V422-E424 PolarHBondContact O-N 3.45Å; V422-L425 WeakPolarHBondContact O-CB 3.43Å; V422-L425 PolarHBondContact O-N 2.92Å; V422-V426 PolarHBondContact O-N 2.76Å; V422-K461 WeakPolarHBondContact CG1-O 3.37Å; V422-I463 CarbonylContact C-O 3.56Å; V422-I463 WeakPolarHBondContact CA-O 3.43Å; V422-I463 WeakPolarHBondContact CG1-O 3.33Å
423	Q	93.7	Very high	89.5	Confident	46 Å²	46	83 Å²	83	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-49.2	-54.1	-176.7	-174.7	175	-44.8	0	0	112.6	L425 V426 L427 L442 I463 Y465	Q423-L425 VanDerWaalsContact C-N 3.25Å; Q423-L425 PolarHBondContact O-N 2.84Å; Q423-V426 PolarHBondContact O-N 3.37Å; Q423-L427 HydrophobicContact CG-CD1 3.99Å; Q423-L427 HydrophobicContact CG-CG 4.41Å; Q423-L427 WeakPolarHBondContact O-CG 3.46Å; Q423-L427 PolarHBondContact O-N 3.04Å; Q423-L442 HydrophobicContact CG-CD2 4.01Å; Q423-I463 HydrophobicContact CB-CB 4.33Å; Q423-I463 PolarHBondContact N-O 3.28Å; Q423-Y465 HydrophobicContact CB-CE2 3.99Å; Q423-Y465 HydrophobicContact CG-CE2 4.21Å; Q423-Y465 PolarHBondContact OE1-OH 3.09Å
424	E	91	Very high	89.5	Confident	142 Å²	142	81.5 Å²	81.5	66%	0.664	38%	0.376	S	S	*	.	H	α-helix	trans	-49.4	-42.5	175.7	-63.1	162.7	-165.9	0	0	113.2	V422 A428	V422-E424 PolarHBondContact O-N 3.45Å; E424-A428 WeakPolarHBondContact O-CB 3.31Å; E424-A428 PolarHBondContact O-N 3.13Å
425	L	91.3	Very high	89.5	Confident	55 Å²	55	86.4 Å²	86.4	29%	0.288	41%	0.411	S	S	.	.	H	α-helix	trans	-75.7	-31.5	-178.6	-177.4	61.6	0	0	0	112.5	L414 V422 Q423 L429	L414-L425 HydrophobicContact CD1-CD2 4.17Å; L414-L425 HydrophobicContact CD1-CG 4.09Å; L414-L425 HydrophobicContact CD2-CD2 3.69Å; L414-L425 HydrophobicContact CD2-CG 4.07Å; V422-L425 WeakPolarHBondContact O-CB 3.43Å; V422-L425 PolarHBondContact O-N 2.92Å; Q423-L425 VanDerWaalsContact C-N 3.25Å; Q423-L425 PolarHBondContact O-N 2.84Å; L425-L429 HydrophobicContact CD1-CD1 4.3Å; L425-L429 HydrophobicContact CG-CD1 4.37Å; L425-L429 WeakPolarHBondContact O-CB 3.28Å; L425-L429 VanDerWaalsContact O-CG 3.29Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 2.79Å
426	V	93.3	Very high	89.7	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-70.5	-46	172.9	177.2	0	0	0	0	109.8	V407 I410 V411 L414 P421 V422 Q423 L429 C430 V441 L445	V407-V426 HydrophobicContact CG1-CG1 4.47Å; I410-V426 HydrophobicContact CG2-CG1 4.35Å; V411-V426 HydrophobicContact CG2-CG1 4.34Å; V411-V426 HydrophobicContact CG2-CG2 4.14Å; L414-V426 HydrophobicContact CD1-CG2 4Å; P421-V426 HydrophobicContact CB-CG2 3.91Å; V422-V426 PolarHBondContact O-N 2.76Å; Q423-V426 PolarHBondContact O-N 3.37Å; V426-L429 PolarHBondContact O-N 3.43Å; V426-C430 WeakPolarHBondContact O-CB 3.17Å; V426-C430 PolarHBondContact O-N 3.17Å; V426-C430 PolarHBondContact O-SG 3.38Å; V426-V441 HydrophobicContact CG1-CG1 4.34Å; V426-L445 HydrophobicContact CG1-CD1 4.18Å; V426-L445 HydrophobicContact CG1-CD2 4.44Å
427	L	94.3	Very high	90.1	Very high	18 Å²	18	79.2 Å²	79.2	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-56.1	-54.4	176.2	-69.3	172.8	0	0	0	111.8	Q423 L429 C430 Q431 E438 V441 L442	Q423-L427 HydrophobicContact CG-CD1 3.99Å; Q423-L427 HydrophobicContact CG-CG 4.41Å; Q423-L427 WeakPolarHBondContact O-CG 3.46Å; Q423-L427 PolarHBondContact O-N 3.04Å; L427-L429 VanDerWaalsContact C-N 3.26Å; L427-L429 PolarHBondContact O-N 2.99Å; L427-C430 PolarHBondContact O-N 3.41Å; L427-Q431 WeakPolarHBondContact O-CB 3.33Å; L427-Q431 PolarHBondContact O-N 2.89Å; L427-E438 HydrophobicContact CD1-CG 4.21Å; L427-E438 WeakPolarHBondContact CD1-OE1 3.31Å; L427-E438 HydrophobicContact CD2-CB 4.31Å; L427-E438 HydrophobicContact CD2-CG 3.86Å; L427-V441 HydrophobicContact CD2-CB 3.79Å; L427-V441 HydrophobicContact CD2-CG1 3.78Å; L427-L442 HydrophobicContact CD1-CD2 4.34Å; L427-L442 HydrophobicContact CD2-CD2 4.14Å; L427-L442 HydrophobicContact CD2-CG 4.17Å
428	A	92	Very high	90.3	Very high	53 Å²	53	80.1 Å²	80.1	44%	0.438	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-34.4	179.7	0	0	0	0	0	113.1	E424 K432	E424-A428 WeakPolarHBondContact O-CB 3.31Å; E424-A428 PolarHBondContact O-N 3.13Å; A428-K432 WeakPolarHBondContact O-CB 3Å; A428-K432 PolarHBondContact O-N 3.4Å; A428-K432 VanDerWaalsContact O-N 3.07Å
429	L	92.5	Very high	90.8	Very high	34 Å²	34	72.7 Å²	72.7	18%	0.178	37%	0.368	C	S	.	.	H	α-helix	trans	-78.2	-38.1	176.1	-71.7	174.7	0	0	0	112.9	I410 L414 L425 V426 L427 K432 H433	I410-L429 HydrophobicContact CD1-CB 4.32Å; I410-L429 HydrophobicContact CG2-CB 3.77Å; I410-L429 HydrophobicContact CG2-CD1 4.15Å; L414-L429 HydrophobicContact CD1-CD1 4.05Å; L414-L429 HydrophobicContact CD2-CD1 3.73Å; L414-L429 HydrophobicContact CG-CD1 3.99Å; L425-L429 HydrophobicContact CD1-CD1 4.3Å; L425-L429 HydrophobicContact CG-CD1 4.37Å; L425-L429 WeakPolarHBondContact O-CB 3.28Å; L425-L429 VanDerWaalsContact O-CG 3.29Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 2.79Å; V426-L429 PolarHBondContact O-N 3.43Å; L427-L429 VanDerWaalsContact C-N 3.26Å; L427-L429 PolarHBondContact O-N 2.99Å; L429-K432 PolarHBondContact O-N 3.31Å; L429-H433 WeakPolarHBondContact O-CB 3.31Å; L429-H433 PolarHBondContact O-CD2 3.25Å; L429-H433 PolarHBondContact O-N 3.21Å
430	C	94.2	Very high	91.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-43.2	174.9	-73.6	0	0	0	0	111.5	I410 V426 L427 H434 S435 V441	I410-C430 HydrophobicContact CD1-CB 4.26Å; I410-C430 VanDerWaalsContact CD1-SG 3.57Å; V426-C430 WeakPolarHBondContact O-CB 3.17Å; V426-C430 PolarHBondContact O-N 3.17Å; V426-C430 PolarHBondContact O-SG 3.38Å; L427-C430 PolarHBondContact O-N 3.41Å; C430-H434 CarbonylContact O-C 3.57Å; C430-H434 WeakPolarHBondContact O-CA 3.42Å; C430-H434 PolarHBondContact O-N 2.78Å; C430-S435 PolarHBondContact O-N 3.46Å; C430-V441 HydrophobicContact CB-CG1 4.11Å; C430-V441 HydrophobicContact CB-CG2 3.53Å
431	Q	91.7	Very high	91.7	Very high	137 Å²	137	62.9 Å²	62.9	64%	0.64	33%	0.334	S	S	*	.	H	α-helix	trans	-64.1	-46	174.5	-166.4	-178.9	22.5	0	0	111	L427 S435	L427-Q431 WeakPolarHBondContact O-CB 3.33Å; L427-Q431 PolarHBondContact O-N 2.89Å; Q431-S435 WeakPolarHBondContact O-CA 3.5Å; Q431-S435 PolarHBondContact O-N 3.34Å; Q431-S435 VanDerWaalsContact O-N 3.17Å
432	K	90.9	Very high	91.9	Very high	166 Å²	166	64.9 Å²	64.9	72%	0.722	34%	0.344	S	S	*	.	H	α-helix	trans	-70.2	-38.7	-177.6	-178.3	175.1	179.8	177.8	0	114.9	A428 L429	A428-K432 WeakPolarHBondContact O-CB 3Å; A428-K432 PolarHBondContact O-N 3.4Å; A428-K432 VanDerWaalsContact O-N 3.07Å; L429-K432 PolarHBondContact O-N 3.31Å
433	H	90.7	Very high	91.9	Very high	114 Å²	114	65.6 Å²	65.6	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-98.3	-22.1	-172.7	-74.4	-90	0	0	0	114.1	L429	L429-H433 WeakPolarHBondContact O-CB 3.31Å; L429-H433 PolarHBondContact O-CD2 3.25Å; L429-H433 PolarHBondContact O-N 3.21Å
434	H	89.9	Confident	91.9	Very high	74 Å²	74	63.4 Å²	63.4	34%	0.343	34%	0.34	S	S	.	.	H	α-helix	trans	-136.1	0.9	-171.7	-61.3	-36.9	0	0	0	114.2	K406 C430 I436	K406-H434 HydrophobicContact CD-CB 4.44Å; C430-H434 CarbonylContact O-C 3.57Å; C430-H434 WeakPolarHBondContact O-CA 3.42Å; C430-H434 PolarHBondContact O-N 2.78Å; H434-I436 HydrophobicContact CB-CD1 3.67Å; H434-I436 HydrophobicContact CB-CG1 3.68Å; H434-I436 PolarHBondContact O-N 2.83Å; H434-I436 VanDerWaalsContact O-N 3.12Å
435	S	90	Very high	92	Very high	106 Å²	106	56.7 Å²	56.7	74%	0.741	31%	0.308	S	S	*	.			trans	53.1	28.9	-179.1	-53.7	0	0	0	0	114.4	C430 Q431	C430-S435 PolarHBondContact O-N 3.46Å; Q431-S435 WeakPolarHBondContact O-CA 3.5Å; Q431-S435 PolarHBondContact O-N 3.34Å; Q431-S435 VanDerWaalsContact O-N 3.17Å
436	I	89.5	Confident	92	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.067	32%	0.318	C	S	.	.			trans	-79.7	130.2	-179.2	-53.3	168.8	0	0	0	108.5	I403 K406 H434 L440 V441	I403-I436 HydrophobicContact CG2-CD1 4.37Å; I403-I436 HydrophobicContact CG2-CG2 4.32Å; K406-I436 HydrophobicContact CB-CD1 4.12Å; K406-I436 HydrophobicContact CD-CD1 4.32Å; H434-I436 HydrophobicContact CB-CD1 3.67Å; H434-I436 HydrophobicContact CB-CG1 3.68Å; H434-I436 PolarHBondContact O-N 2.83Å; H434-I436 VanDerWaalsContact O-N 3.12Å; I436-L440 HydrophobicContact CG2-CB 4.1Å; I436-L440 HydrophobicContact CG2-CD2 4.2Å; I436-L440 HydrophobicContact CG2-CG 4.36Å; I436-V441 HydrophobicContact CB-CG2 3.85Å; I436-V441 HydrophobicContact CG2-CG2 3.51Å
437	P	91.3	Very high	91.9	Very high	72 Å²	72	61.1 Å²	61.1	47%	0.468	33%	0.332	S	S	.	.			trans	-66.7	146.5	176.5	27.3	-33.8	0	0	0	111.6	S439 L440 V441	P437-S439 PolarHBondContact O-N 3.03Å; P437-L440 HydrophobicContact CG-CB 3.93Å; P437-L440 HydrophobicContact CG-CD2 4.3Å; P437-L440 PolarHBondContact O-N 3.3Å; P437-L440 VanDerWaalsContact O-N 3.07Å; P437-V441 PolarHBondContact O-N 3.19Å
438	E	90.6	Very high	91.7	Very high	120 Å²	120	60.6 Å²	60.6	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-54.6	-44.8	-172.9	165.5	161.7	-166.6	0	0	113.5	L427 L440 V441 L442	L427-E438 HydrophobicContact CD1-CG 4.21Å; L427-E438 WeakPolarHBondContact CD1-OE1 3.31Å; L427-E438 HydrophobicContact CD2-CB 4.31Å; L427-E438 HydrophobicContact CD2-CG 3.86Å; E438-L440 VanDerWaalsContact C-N 3.31Å; E438-L440 PolarHBondContact O-N 2.87Å; E438-V441 PolarHBondContact O-N 2.63Å; E438-V441 VanDerWaalsContact O-N 3.15Å; E438-L442 HydrophobicContact CG-CD1 4.01Å; E438-L442 HydrophobicContact CG-CG 4.41Å; E438-L442 WeakPolarHBondContact O-CG 3.48Å; E438-L442 PolarHBondContact O-N 3.36Å
439	S	91.4	Very high	91.6	Very high	82 Å²	82	59.9 Å²	59.9	57%	0.573	32%	0.319	S	S	*	.	H	α-helix	trans	-53.2	-46.3	176	50.6	0	0	0	0	112.7	P437 V441 L442 S443	P437-S439 PolarHBondContact O-N 3.03Å; S439-V441 VanDerWaalsContact C-N 3.34Å; S439-V441 PolarHBondContact O-N 3.04Å; S439-L442 PolarHBondContact O-N 3.49Å; S439-S443 PolarHBondContact O-N 3.49Å; S439-S443 PolarHBondContact O-OG 3.42Å
440	L	92.5	Very high	91.4	Very high	52 Å²	52	63.8 Å²	63.8	27%	0.272	34%	0.344	S	S	.	.	H	α-helix	trans	-72	-28.8	-177.3	-163.3	63.9	0	0	0	112.3	I399 I403 I436 P437 E438 S444	I399-L440 HydrophobicContact CD1-CD1 3.77Å; I399-L440 HydrophobicContact CG1-CD1 3.82Å; I399-L440 HydrophobicContact CG2-CD1 4.31Å; I403-L440 HydrophobicContact CD1-CD2 3.87Å; I403-L440 HydrophobicContact CG2-CD2 4.47Å; I403-L440 HydrophobicContact CG2-CG 4.35Å; I436-L440 HydrophobicContact CG2-CB 4.1Å; I436-L440 HydrophobicContact CG2-CD2 4.2Å; I436-L440 HydrophobicContact CG2-CG 4.36Å; P437-L440 HydrophobicContact CG-CB 3.93Å; P437-L440 HydrophobicContact CG-CD2 4.3Å; P437-L440 PolarHBondContact O-N 3.3Å; P437-L440 VanDerWaalsContact O-N 3.07Å; E438-L440 VanDerWaalsContact C-N 3.31Å; E438-L440 PolarHBondContact O-N 2.87Å; L440-S444 VanDerWaalsContact O-CB 3.3Å; L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 2.84Å; L440-S444 VanDerWaalsContact O-N 3.07Å; L440-S444 PolarHBondContact O-OG 2.85Å
441	V	94.1	Very high	91.1	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-70.6	-41.8	170.4	-176.8	0	0	0	0	110.8	V407 V426 L427 C430 I436 P437 E438 S439 S444 L445	V407-V441 HydrophobicContact CG1-CG1 4.47Å; V407-V441 HydrophobicContact CG2-CG1 4.17Å; V426-V441 HydrophobicContact CG1-CG1 4.34Å; L427-V441 HydrophobicContact CD2-CB 3.79Å; L427-V441 HydrophobicContact CD2-CG1 3.78Å; C430-V441 HydrophobicContact CB-CG1 4.11Å; C430-V441 HydrophobicContact CB-CG2 3.53Å; I436-V441 HydrophobicContact CB-CG2 3.85Å; I436-V441 HydrophobicContact CG2-CG2 3.51Å; P437-V441 PolarHBondContact O-N 3.19Å; E438-V441 PolarHBondContact O-N 2.63Å; E438-V441 VanDerWaalsContact O-N 3.15Å; S439-V441 VanDerWaalsContact C-N 3.34Å; S439-V441 PolarHBondContact O-N 3.04Å; V441-S444 WeakPolarHBondContact O-CB 3.19Å; V441-S444 PolarHBondContact O-N 3.01Å; V441-L445 HydrophobicContact CG1-CD1 3.95Å; V441-L445 HydrophobicContact CG1-CG 4.44Å; V441-L445 WeakPolarHBondContact O-CB 3.25Å; V441-L445 VanDerWaalsContact O-CG 3.28Å; V441-L445 WeakPolarHBondContact O-CG 3.3Å; V441-L445 PolarHBondContact O-N 2.88Å
442	L	93.8	Very high	90.7	Very high	55 Å²	55	65.3 Å²	65.3	29%	0.288	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-49.3	177.6	-68	174.1	0	0	0	111.6	Q423 L427 E438 S439 S444 L445 D446	Q423-L442 HydrophobicContact CG-CD2 4.01Å; L427-L442 HydrophobicContact CD1-CD2 4.34Å; L427-L442 HydrophobicContact CD2-CD2 4.14Å; L427-L442 HydrophobicContact CD2-CG 4.17Å; E438-L442 HydrophobicContact CG-CD1 4.01Å; E438-L442 HydrophobicContact CG-CG 4.41Å; E438-L442 WeakPolarHBondContact O-CG 3.48Å; E438-L442 PolarHBondContact O-N 3.36Å; S439-L442 PolarHBondContact O-N 3.49Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.14Å; L442-L445 WeakPolarHBondContact O-CB 3.4Å; L442-L445 PolarHBondContact O-N 2.89Å; L442-L445 VanDerWaalsContact O-N 3.12Å; L442-D446 PolarHBondContact O-N 2.94Å
443	S	91.9	Very high	90.4	Very high	38 Å²	38	62.2 Å²	62.2	27%	0.266	34%	0.342	S	S	.	.	H	α-helix	trans	-61.2	-38.8	175	-58.1	0	0	0	0	112.2	I399 S439 L445 D446 I447	I399-S443 VanDerWaalsContact CD1-CB 3.42Å; S439-S443 PolarHBondContact O-N 3.49Å; S439-S443 PolarHBondContact O-OG 3.42Å; S443-L445 PolarHBondContact O-N 2.88Å; S443-D446 PolarHBondContact O-N 2.93Å; S443-I447 VanDerWaalsContact O-CG1 3.3Å; S443-I447 WeakPolarHBondContact O-CG1 3.3Å; S443-I447 PolarHBondContact O-N 2.81Å
444	S	92.7	Very high	90.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-42.5	173.3	-62.9	0	0	0	0	112.3	L440 V441 L442 L448	L440-S444 VanDerWaalsContact O-CB 3.3Å; L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 2.84Å; L440-S444 VanDerWaalsContact O-N 3.07Å; L440-S444 PolarHBondContact O-OG 2.85Å; V441-S444 WeakPolarHBondContact O-CB 3.19Å; V441-S444 PolarHBondContact O-N 3.01Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.14Å; S444-L448 WeakPolarHBondContact O-CB 3.4Å; S444-L448 WeakPolarHBondContact O-CD1 3.33Å; S444-L448 WeakPolarHBondContact O-CG 3.42Å; S444-L448 PolarHBondContact O-N 3.01Å
445	L	93.1	Very high	90.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.5	-36.6	178.6	-75.2	165.3	0	0	0	112.1	V407 V411 V426 V441 L442 S443 L448 V449 L454 Y465	V407-L445 HydrophobicContact CG1-CD2 3.63Å; V407-L445 HydrophobicContact CG1-CG 3.88Å; V411-L445 HydrophobicContact CG2-CD2 4.48Å; V426-L445 HydrophobicContact CG1-CD1 4.18Å; V426-L445 HydrophobicContact CG1-CD2 4.44Å; V441-L445 HydrophobicContact CG1-CD1 3.95Å; V441-L445 HydrophobicContact CG1-CG 4.44Å; V441-L445 WeakPolarHBondContact O-CB 3.25Å; V441-L445 VanDerWaalsContact O-CG 3.28Å; V441-L445 WeakPolarHBondContact O-CG 3.3Å; V441-L445 PolarHBondContact O-N 2.88Å; L442-L445 WeakPolarHBondContact O-CB 3.4Å; L442-L445 PolarHBondContact O-N 2.89Å; L442-L445 VanDerWaalsContact O-N 3.12Å; S443-L445 PolarHBondContact O-N 2.88Å; L445-L448 PolarHBondContact O-N 2.73Å; L445-V449 WeakPolarHBondContact O-CG2 3.41Å; L445-V449 PolarHBondContact O-N 3.46Å; L445-L454 HydrophobicContact CD2-CD1 3.96Å; L445-Y465 HydrophobicContact CB-CD1 4.47Å; L445-Y465 HydrophobicContact CB-CE1 3.8Å; L445-Y465 HydrophobicContact CD1-CD2 4.41Å; L445-Y465 HydrophobicContact CD1-CE2 3.79Å; L445-Y465 HydrophobicContact CD2-CD1 4.08Å; L445-Y465 HydrophobicContact CD2-CD2 4.13Å; L445-Y465 HydrophobicContact CD2-CE1 4.17Å; L445-Y465 HydrophobicContact CD2-CE2 4.23Å; L445-Y465 HydrophobicContact CD2-CG 4.06Å; L445-Y465 HydrophobicContact CG-CE1 4.38Å; L445-Y465 HydrophobicContact CG-CE2 4.43Å
446	D	91.6	Very high	90.1	Very high	93 Å²	93	58.6 Å²	58.6	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-73	-39.1	179	-152.2	60.2	0	0	0	112.2	L442 S443 L448 V449 T450	L442-D446 PolarHBondContact O-N 2.94Å; S443-D446 PolarHBondContact O-N 2.93Å; D446-L448 VanDerWaalsContact C-N 3.33Å; D446-L448 PolarHBondContact O-N 2.74Å; D446-V449 PolarHBondContact O-N 2.9Å; D446-T450 WeakPolarHBondContact O-CB 3.38Å; D446-T450 PolarHBondContact O-N 3.16Å; D446-T450 PolarHBondContact O-OG1 2.78Å
447	I	90.5	Very high	89.9	Confident	56 Å²	56	60.4 Å²	60.4	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-41.1	169.4	-65.3	167.2	0	0	0	110.8	I399 M404 S443 V449 T450 R451	I399-I447 HydrophobicContact CB-CD1 4.45Å; I399-I447 HydrophobicContact CD1-CD1 3.95Å; I399-I447 HydrophobicContact CG1-CD1 4.45Å; M404-I447 HydrophobicContact SD-CB 4.14Å; M404-I447 HydrophobicContact SD-CG2 3.55Å; M404-I447 VanDerWaalsContact SD-CG2 3.55Å; S443-I447 VanDerWaalsContact O-CG1 3.3Å; S443-I447 WeakPolarHBondContact O-CG1 3.3Å; S443-I447 PolarHBondContact O-N 2.81Å; I447-V449 VanDerWaalsContact C-N 3.3Å; I447-V449 PolarHBondContact O-N 3.05Å; I447-T450 PolarHBondContact O-N 2.86Å; I447-R451 HydrophobicContact CG2-CG 4.23Å; I447-R451 WeakPolarHBondContact O-CB 3.39Å; I447-R451 WeakPolarHBondContact O-CG 3.37Å; I447-R451 PolarHBondContact O-N 3.48Å
448	L	91	Very high	89.6	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-26.3	177.5	-73.7	165.3	0	0	0	113.5	M404 V407 M408 S444 L445 D446 H453 L454	M404-L448 HydrophobicContact CB-CD2 4.49Å; V407-L448 HydrophobicContact CB-CD1 4.43Å; V407-L448 HydrophobicContact CG1-CD1 4.11Å; M408-L448 HydrophobicContact CG-CD1 3.65Å; M408-L448 HydrophobicContact CG-CD2 3.63Å; M408-L448 HydrophobicContact CG-CG 4.29Å; M408-L448 HydrophobicContact SD-CD1 3.89Å; M408-L448 HydrophobicContact SD-CD2 3.92Å; M408-L448 HydrophobicContact SD-CG 4.41Å; S444-L448 WeakPolarHBondContact O-CB 3.4Å; S444-L448 WeakPolarHBondContact O-CD1 3.33Å; S444-L448 WeakPolarHBondContact O-CG 3.42Å; S444-L448 PolarHBondContact O-N 3.01Å; L445-L448 PolarHBondContact O-N 2.73Å; D446-L448 VanDerWaalsContact C-N 3.33Å; D446-L448 PolarHBondContact O-N 2.74Å; L448-H453 HydrophobicContact CD2-CB 4.3Å; L448-H453 PolarHBondContact O-N 3.2Å; L448-H453 VanDerWaalsContact O-N 3.07Å; L448-L454 HydrophobicContact CB-CD1 3.84Å; L448-L454 HydrophobicContact CB-CG 4.19Å; L448-L454 HydrophobicContact CD1-CD1 4.14Å; L448-L454 PolarHBondContact O-N 3.48Å
449	V	90.7	Very high	88.7	Confident	38 Å²	38	59.1 Å²	59.1	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-76.6	-44.4	170.1	169.8	0	0	0	0	110.7	L445 D446 I447 R451 G452 L454 R456 Y465	L445-V449 WeakPolarHBondContact O-CG2 3.41Å; L445-V449 PolarHBondContact O-N 3.46Å; D446-V449 PolarHBondContact O-N 2.9Å; I447-V449 VanDerWaalsContact C-N 3.3Å; I447-V449 PolarHBondContact O-N 3.05Å; V449-R451 PolarHBondContact O-N 3.28Å; V449-G452 WeakPolarHBondContact O-CA 3.43Å; V449-G452 PolarHBondContact O-N 2.89Å; V449-L454 WeakPolarHBondContact CA-O 3.19Å; V449-L454 HydrophobicContact CG2-CB 3.98Å; V449-R456 HydrophobicContact CG2-CB 4.47Å; V449-Y465 HydrophobicContact CG2-CD1 3.93Å; V449-Y465 HydrophobicContact CG2-CE1 4.04Å
450	T	87.8	Confident	88.1	Confident	115 Å²	115	60.7 Å²	60.7	71%	0.706	33%	0.331	S	S	*	.	H	α-helix	trans	-63	-38.7	177.8	-56.7	0	0	0	0	112.3	D446 I447 G452	D446-T450 WeakPolarHBondContact O-CB 3.38Å; D446-T450 PolarHBondContact O-N 3.16Å; D446-T450 PolarHBondContact O-OG1 2.78Å; I447-T450 PolarHBondContact O-N 2.86Å; T450-G452 PolarHBondContact O-N 3.14Å
451	R	87.5	Confident	87.2	Confident	137 Å²	137	66.4 Å²	66.4	52%	0.517	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	1.1	171.4	-69.1	-178.2	176.9	-178.6	-0.2	113.7	D401 I447 V449 H453	D401-R451 IonicContact OD1-CZ 3.66Å; D401-R451 IonicContact OD1-NH1 2.76Å; D401-R451 PolarHBondContact OD1-NH1 2.93Å; D401-R451 IonicContact OD1-NH2 2.79Å; I447-R451 HydrophobicContact CG2-CG 4.23Å; I447-R451 WeakPolarHBondContact O-CB 3.39Å; I447-R451 WeakPolarHBondContact O-CG 3.37Å; I447-R451 PolarHBondContact O-N 3.48Å; V449-R451 PolarHBondContact O-N 3.28Å; R451-H453 VanDerWaalsContact C-N 3.25Å; R451-H453 PolarHBondContact O-N 3.17Å
452	G	82.9	Confident	86.8	Confident	33 Å²	33	68 Å²	68	34%	0.34	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	5.6	175.8	0	0	0	0	0	116.5	V449 T450 H455	V449-G452 WeakPolarHBondContact O-CA 3.43Å; V449-G452 PolarHBondContact O-N 2.89Å; T450-G452 PolarHBondContact O-N 3.14Å; G452-H455 PolarHBondContact O-NE2 2.93Å
453	H	85.1	Confident	86.5	Confident	100 Å²	100	67 Å²	67	46%	0.463	37%	0.365	S	S	.	.	S	Bend	trans	-71.7	-33.8	177	-61	-57.5	0	0	0	112.1	M408 L448 R451	M408-H453 HydrophobicContact CE-CB 4.14Å; L448-H453 HydrophobicContact CD2-CB 4.3Å; L448-H453 PolarHBondContact O-N 3.2Å; L448-H453 VanDerWaalsContact O-N 3.07Å; R451-H453 VanDerWaalsContact C-N 3.25Å; R451-H453 PolarHBondContact O-N 3.17Å
454	L	89.1	Confident	86.4	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.6	176.3	-63.3	177.6	0	0	0	111.2	M408 V411 L445 L448 V449 Y465 R466	M408-L454 HydrophobicContact CE-CD2 4.34Å; M408-L454 HydrophobicContact SD-CD1 3.82Å; M408-L454 HydrophobicContact SD-CD2 3.88Å; M408-L454 HydrophobicContact SD-CG 3.79Å; V411-L454 HydrophobicContact CG1-CD2 3.95Å; L445-L454 HydrophobicContact CD2-CD1 3.96Å; L448-L454 HydrophobicContact CB-CD1 3.84Å; L448-L454 HydrophobicContact CB-CG 4.19Å; L448-L454 HydrophobicContact CD1-CD1 4.14Å; L448-L454 PolarHBondContact O-N 3.48Å; V449-L454 WeakPolarHBondContact CA-O 3.19Å; V449-L454 HydrophobicContact CG2-CB 3.98Å; L454-Y465 HydrophobicContact CD1-CD1 4.38Å; L454-R466 CarbonylContact C-O 3.58Å; L454-R466 WeakPolarHBondContact CA-O 3.26Å
455	H	86.5	Confident	86.3	Confident	86 Å²	86	65.9 Å²	65.9	40%	0.398	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.5	171.1	-69.8	-103.5	0	0	0	109.1	G452 V457 Y465 R466 N468	G452-H455 PolarHBondContact O-NE2 2.93Å; H455-V457 PolarHBondContact O-N 3.1Å; H455-Y465 WeakPolarHBondContact O-CA 3.34Å; H455-R466 PolarHBondContact N-O 2.98Å; H455-R466 PolarHBondContact O-N 3.17Å; H455-N468 WeakPolarHBondContact NE2-CB 3.43Å; H455-N468 PolarHBondContact NE2-ND2 2.86Å
456	R	88.1	Confident	85.8	Confident	130 Å²	130	71.6 Å²	71.6	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	119.2	170.2	178.2	176.3	166.9	155.7	-7.3	108.9	V449 E458 I463	V449-R456 HydrophobicContact CG2-CB 4.47Å; R456-E458 IonicContact CZ-OE1 2.73Å; R456-E458 VanDerWaalsContact CZ-OE1 3.31Å; R456-E458 IonicContact NE-OE1 3.7Å; R456-E458 PolarHBondContact NE-OE1 3.4Å; R456-E458 IonicContact NH2-OE1 3.6Å; R456-E458 PolarHBondContact NH2-OE1 2.96Å; R456-I463 HydrophobicContact CG-CG2 3.92Å
457	V	85.1	Confident	85	Confident	51 Å²	51	69.2 Å²	69.2	31%	0.309	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.8	176.7	-179.4	0	0	0	0	109.7	H455 S464 R466	H455-V457 PolarHBondContact O-N 3.1Å; V457-S464 PolarHBondContact N-O 3.32Å; V457-S464 PolarHBondContact O-N 3.03Å; V457-S464 PolarHBondContact O-OG 3.04Å; V457-R466 HydrophobicContact CG2-CG 4.1Å
458	E	85.4	Confident	83.5	Confident	123 Å²	123	69.6 Å²	69.6	58%	0.575	37%	0.37	S	S	*	.			trans	-75	160.2	-177.5	-50.6	-163.9	148.6	0	0	111.8	R456	R456-E458 IonicContact CZ-OE1 2.73Å; R456-E458 VanDerWaalsContact CZ-OE1 3.31Å; R456-E458 IonicContact NE-OE1 3.7Å; R456-E458 PolarHBondContact NE-OE1 3.4Å; R456-E458 IonicContact NH2-OE1 3.6Å; R456-E458 PolarHBondContact NH2-OE1 2.96Å
459	S	72.8	Confident	81.5	Confident	42 Å²	42	73.1 Å²	73.1	29%	0.294	39%	0.393	S	S	.	.			trans	-166.6	168.3	177.5	66.3	0	0	0	0	112.3	K461 G462	S459-K461 PolarHBondContact O-N 3.13Å; S459-K461 PolarHBondContact OG-N 3.43Å; S459-G462 PolarHBondContact N-O 2.97Å; S459-G462 VanDerWaalsContact N-O 3.12Å; S459-G462 PolarHBondContact O-N 3.21Å; S459-G462 PolarHBondContact OG-O 3.4Å
460	A	78.3	Confident	79.2	Confident	115 Å²	115	80 Å²	80	95%	0.95	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	8.4	170.4	0	0	0	0	0	115
461	K	74	Confident	76.7	Confident	171 Å²	171	79 Å²	79	74%	0.743	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	40.4	169.5	-62.2	-164.1	175.7	-161.7	0	110.5	V422 S459	V422-K461 WeakPolarHBondContact CG1-O 3.37Å; S459-K461 PolarHBondContact O-N 3.13Å; S459-K461 PolarHBondContact OG-N 3.43Å
462	G	85	Confident	74.1	Confident	35 Å²	35	78.2 Å²	78.2	36%	0.361	42%	0.424	S	S	.	.			trans	73.4	-168.4	-178.1	0	0	0	0	0	114.9	S459	S459-G462 PolarHBondContact N-O 2.97Å; S459-G462 VanDerWaalsContact N-O 3.12Å; S459-G462 PolarHBondContact O-N 3.21Å; S459-G462 PolarHBondContact OG-O 3.4Å
463	I	88.3	Confident	71.7	Confident	35 Å²	35	79.5 Å²	79.5	18%	0.179	43%	0.431	C	S	.	.			trans	-74.7	143	-179	-67	162.1	0	0	0	110.3	V422 Q423 R456 Y465	V422-I463 CarbonylContact C-O 3.56Å; V422-I463 WeakPolarHBondContact CA-O 3.43Å; V422-I463 WeakPolarHBondContact CG1-O 3.33Å; Q423-I463 HydrophobicContact CB-CB 4.33Å; Q423-I463 PolarHBondContact N-O 3.28Å; R456-I463 HydrophobicContact CG-CG2 3.92Å; I463-Y465 HydrophobicContact CG2-CE2 3.93Å
464	S	89.8	Confident	69.2	Low	1 Å²	1	86.4 Å²	86.4	1%	0.007	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.1	173.3	65.3	0	0	0	0	112.4	R420 P421 V457	R420-S464 VanDerWaalsContact CZ-OG 3.23Å; R420-S464 VanDerWaalsContact NE-CB 3.33Å; R420-S464 PolarHBondContact NE-OG 2.87Å; R420-S464 PolarHBondContact NH2-OG 2.87Å; P421-S464 CarbonylContact O-C 3.59Å; P421-S464 WeakPolarHBondContact O-CA 3.29Å; P421-S464 VanDerWaalsContact O-CB 3.26Å; P421-S464 WeakPolarHBondContact O-CB 3.46Å; V457-S464 PolarHBondContact N-O 3.32Å; V457-S464 PolarHBondContact O-N 3.03Å; V457-S464 PolarHBondContact O-OG 3.04Å
465	Y	90.1	Very high	66.5	Low	13 Å²	13	89.5 Å²	89.5	5%	0.051	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.4	-171.8	-61.8	-91.8	0	0	0	111.4	P421 Q423 L445 V449 L454 H455 I463	P421-Y465 WeakPolarHBondContact CG-O 3.37Å; P421-Y465 PolarHBondContact O-N 3.16Å; Q423-Y465 HydrophobicContact CB-CE2 3.99Å; Q423-Y465 HydrophobicContact CG-CE2 4.21Å; Q423-Y465 PolarHBondContact OE1-OH 3.09Å; L445-Y465 HydrophobicContact CB-CD1 4.47Å; L445-Y465 HydrophobicContact CB-CE1 3.8Å; L445-Y465 HydrophobicContact CD1-CD2 4.41Å; L445-Y465 HydrophobicContact CD1-CE2 3.79Å; L445-Y465 HydrophobicContact CD2-CD1 4.08Å; L445-Y465 HydrophobicContact CD2-CD2 4.13Å; L445-Y465 HydrophobicContact CD2-CE1 4.17Å; L445-Y465 HydrophobicContact CD2-CE2 4.23Å; L445-Y465 HydrophobicContact CD2-CG 4.06Å; L445-Y465 HydrophobicContact CG-CE1 4.38Å; L445-Y465 HydrophobicContact CG-CE2 4.43Å; V449-Y465 HydrophobicContact CG2-CD1 3.93Å; V449-Y465 HydrophobicContact CG2-CE1 4.04Å; L454-Y465 HydrophobicContact CD1-CD1 4.38Å; H455-Y465 WeakPolarHBondContact O-CA 3.34Å; I463-Y465 HydrophobicContact CG2-CE2 3.93Å
466	R	82.4	Confident	64	Low	119 Å²	119	91.6 Å²	91.6	45%	0.449	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.8	-178.9	-60.8	-171.9	-174.3	-101.2	3.4	111.2	L454 H455 V457 N468	L454-R466 CarbonylContact C-O 3.58Å; L454-R466 WeakPolarHBondContact CA-O 3.26Å; H455-R466 PolarHBondContact N-O 2.98Å; H455-R466 PolarHBondContact O-N 3.17Å; V457-R466 HydrophobicContact CG2-CG 4.1Å; R466-N468 PolarHBondContact O-N 3.35Å
467	S	74.8	Confident	61.4	Low	44 Å²	44	91.8 Å²	91.8	31%	0.308	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	135.8	162	61.9	0	0	0	0	109.5	K415	K415-S467 PolarHBondContact NZ-OG 2.89Å
468	N	59.6	Low	59	Low	63 Å²	63	99.2 Å²	99.2	34%	0.337	54%	0.538	S	S	.	.			trans	-42.5	125	-173.1	-172.2	-34	0	0	0	113.6	H455 R466 F470	H455-N468 WeakPolarHBondContact NE2-CB 3.43Å; H455-N468 PolarHBondContact NE2-ND2 2.86Å; R466-N468 PolarHBondContact O-N 3.35Å; N468-F470 VanDerWaalsContact C-N 3.3Å; N468-F470 PolarHBondContact O-N 2.82Å; N468-F470 WeakPolarHBondContact OD1-CD2 3.5Å; N468-F470 PolarHBondContact OD1-N 3.12Å; N468-F470 VanDerWaalsContact OD1-N 3.12Å
469	P	48.1	Very low	56.5	Low	82 Å²	82	102.3 Å²	102.3	53%	0.532	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	-1.7	-172	32.3	-37.5	0	0	0	115.5	V471	P469-V471 PolarHBondContact O-N 3.02Å; P469-V471 VanDerWaalsContact O-N 3.1Å
470	F	41.7	Very low	54.7	Low	182 Å²	182	106 Å²	106	80%	0.798	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-6.3	-179.6	-73.9	-61.2	0	0	0	114.9	N468	N468-F470 VanDerWaalsContact C-N 3.3Å; N468-F470 PolarHBondContact O-N 2.82Å; N468-F470 WeakPolarHBondContact OD1-CD2 3.5Å; N468-F470 PolarHBondContact OD1-N 3.12Å; N468-F470 VanDerWaalsContact OD1-N 3.12Å
471	V	36.5	Very low	52.9	Low	95 Å²	95	103.1 Å²	103.1	58%	0.576	55%	0.549	S	S	*	.			trans	-108.2	73.2	169	-168.5	0	0	0	0	110.7	P469	P469-V471 PolarHBondContact O-N 3.02Å; P469-V471 VanDerWaalsContact O-N 3.1Å
472	V	33.5	Very low	51.6	Low	120 Å²	120	97.1 Å²	97.1	73%	0.727	53%	0.529	S	S	*	.			trans	-125.7	122	164.9	176.9	0	0	0	0	108.6	R474	V472-R474 PolarHBondContact O-N 2.88Å
473	A	31.3	Very low	49.9	Very low	60 Å²	60	101.9 Å²	101.9	50%	0.496	55%	0.545	S	S	.	.			trans	-66	131.6	-172.8	0	0	0	0	0	112.4	G475	A473-G475 PolarHBondContact O-N 2.9Å; A473-G475 VanDerWaalsContact O-N 3.1Å
474	R	32.9	Very low	48	Very low	244 Å²	244	102.5 Å²	102.5	92%	0.921	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-11	169.4	-82.7	-179.1	168	145	-2.3	113.6	V472	V472-R474 PolarHBondContact O-N 2.88Å
475	G	32.8	Very low	46.1	Very low	68 Å²	68	104.8 Å²	104.8	70%	0.701	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-30.5	-178.4	0	0	0	0	0	116	A473 L477	A473-G475 PolarHBondContact O-N 2.9Å; A473-G475 VanDerWaalsContact O-N 3.1Å; G475-L477 VanDerWaalsContact C-N 3.34Å; G475-L477 PolarHBondContact O-N 3.4Å
476	D	33.4	Very low	44.2	Very low	131 Å²	131	110.6 Å²	110.6	70%	0.701	60%	0.597	S	S	*	*			trans	-86.2	-2.5	-168.4	-66.7	-48	0	0	0	114.7	K478	D476-K478 VanDerWaalsContact C-N 3.32Å; D476-K478 PolarHBondContact O-N 3.1Å
477	L	34.7	Very low	42.8	Very low	134 Å²	134	109.1 Å²	109.1	70%	0.702	60%	0.597	S	S	*	*	S	Bend	trans	-72	86.1	169.5	-80.3	171.1	0	0	0	110.5	G475 K479	G475-L477 VanDerWaalsContact C-N 3.34Å; G475-L477 PolarHBondContact O-N 3.4Å; L477-K479 CarbonylContact O-C 3.47Å; L477-K479 PolarHBondContact O-N 3.3Å
478	K	33.7	Very low	41.6	Very low	207 Å²	207	113.9 Å²	113.9	90%	0.9	61%	0.612	S	S	*	*	S	Bend	trans	-49.1	104.6	170.2	-74.8	-177.1	176.8	177.2	0	110.4	D476	D476-K478 VanDerWaalsContact C-N 3.32Å; D476-K478 PolarHBondContact O-N 3.1Å
479	K	33.9	Very low	41.1	Very low	188 Å²	188	114 Å²	114	82%	0.817	62%	0.622	S	S	*	*			trans	77.7	91.5	-173.1	-52.9	175.9	-178.1	177.7	0	114.7	L477 A481	L477-K479 CarbonylContact O-C 3.47Å; L477-K479 PolarHBondContact O-N 3.3Å; K479-A481 PolarHBondContact O-N 2.85Å
480	P	34.5	Very low	41.1	Very low	120 Å²	120	118.6 Å²	118.6	78%	0.779	63%	0.634	S	S	*	*			trans	-69.3	81.2	155.3	31.1	-34.3	0	0	0	109.5	S482	P480-S482 PolarHBondContact O-N 2.84Å
481	A	40.2	Very low	41.5	Very low	53 Å²	53	118.9 Å²	118.9	44%	0.438	63%	0.631	S	S	.	*			trans	-66.7	103.6	167.1	0	0	0	0	0	108.2	K479 K486	K479-A481 PolarHBondContact O-N 2.85Å; A481-K486 HydrophobicContact CB-CG 4.48Å
482	S	47.6	Very low	42.1	Very low	46 Å²	46	120.9 Å²	120.9	32%	0.322	64%	0.638	S	S	.	*			trans	-53	152.8	-174.9	68.8	0	0	0	0	111.7	P480 S484 A485 K486	P480-S482 PolarHBondContact O-N 2.84Å; S482-S484 WeakPolarHBondContact CB-OG 3.38Å; S482-S484 PolarHBondContact O-N 3.26Å; S482-S484 PolarHBondContact OG-OG 2.92Å; S482-A485 WeakPolarHBondContact O-CA 3.49Å; S482-A485 WeakPolarHBondContact O-CB 3.38Å; S482-A485 PolarHBondContact O-N 3.08Å; S482-A485 WeakPolarHBondContact OG-CB 3.33Å; S482-A485 PolarHBondContact OG-N 3.12Å; S482-K486 PolarHBondContact O-N 3.43Å
483	L	47.5	Very low	42.4	Very low	134 Å²	134	118.5 Å²	118.5	70%	0.702	64%	0.638	S	S	*	*	H	α-helix	trans	-58.6	-37.3	177.6	-162.8	72.3	0	0	0	110.5	A485 K486 I487	L483-A485 PolarHBondContact O-N 2.86Å; L483-K486 PolarHBondContact O-N 3.1Å; L483-I487 HydrophobicContact CD2-CD1 4.49Å; L483-I487 HydrophobicContact CG-CD1 4.11Å; L483-I487 WeakPolarHBondContact O-CB 3.31Å; L483-I487 WeakPolarHBondContact O-CD1 3.32Å; L483-I487 WeakPolarHBondContact O-CG1 3.28Å; L483-I487 PolarHBondContact O-N 3.01Å
484	S	48.3	Very low	42.6	Very low	49 Å²	49	118.4 Å²	118.4	34%	0.343	64%	0.643	S	S	.	*	H	α-helix	trans	-58.6	-41.2	171	46.1	0	0	0	0	113.2	S482 K488	S482-S484 WeakPolarHBondContact CB-OG 3.38Å; S482-S484 PolarHBondContact O-N 3.26Å; S482-S484 PolarHBondContact OG-OG 2.92Å; S484-K488 WeakPolarHBondContact O-CB 3.44Å; S484-K488 PolarHBondContact O-N 3.09Å
485	A	50.2	Low	42.8	Very low	48 Å²	48	115.1 Å²	115.1	40%	0.397	64%	0.64	S	S	.	*	H	α-helix	trans	-70.5	-40.2	174.9	0	0	0	0	0	112.9	S482 L483 I487 K488 A489	S482-A485 WeakPolarHBondContact O-CA 3.49Å; S482-A485 WeakPolarHBondContact O-CB 3.38Å; S482-A485 PolarHBondContact O-N 3.08Å; S482-A485 WeakPolarHBondContact OG-CB 3.33Å; S482-A485 PolarHBondContact OG-N 3.12Å; L483-A485 PolarHBondContact O-N 2.86Å; A485-I487 VanDerWaalsContact C-N 3.35Å; A485-K488 PolarHBondContact O-N 3.18Å; A485-A489 WeakPolarHBondContact O-CB 3.26Å; A485-A489 PolarHBondContact O-N 3.32Å
486	K	50.6	Low	42.9	Very low	136 Å²	136	120.2 Å²	120.2	59%	0.591	65%	0.651	S	S	*	*	H	α-helix	trans	-63.3	-40	173.5	-77.4	-178.1	177.2	175.5	0	111.9	A481 S482 L483 K490	A481-K486 HydrophobicContact CB-CG 4.48Å; S482-K486 PolarHBondContact O-N 3.43Å; L483-K486 PolarHBondContact O-N 3.1Å; K486-K490 VanDerWaalsContact O-CB 3.28Å; K486-K490 WeakPolarHBondContact O-CB 3.32Å; K486-K490 PolarHBondContact O-N 2.87Å
487	I	52.5	Low	42.8	Very low	88 Å²	88	117.7 Å²	117.7	45%	0.451	66%	0.656	S	S	.	*	H	α-helix	trans	-63.3	-49.1	173.4	-72.4	166.2	0	0	0	110	L483 A485 A489 K490 Y491	L483-I487 HydrophobicContact CD2-CD1 4.49Å; L483-I487 HydrophobicContact CG-CD1 4.11Å; L483-I487 WeakPolarHBondContact O-CB 3.31Å; L483-I487 WeakPolarHBondContact O-CD1 3.32Å; L483-I487 WeakPolarHBondContact O-CG1 3.28Å; L483-I487 PolarHBondContact O-N 3.01Å; A485-I487 VanDerWaalsContact C-N 3.35Å; I487-A489 VanDerWaalsContact C-N 3.33Å; I487-A489 PolarHBondContact O-N 3.37Å; I487-K490 PolarHBondContact O-N 3.14Å; I487-K490 VanDerWaalsContact O-N 3.1Å; I487-Y491 HydrophobicContact CG2-CD2 3.8Å; I487-Y491 HydrophobicContact CG2-CE2 4.02Å; I487-Y491 WeakPolarHBondContact O-CD2 3.46Å; I487-Y491 PolarHBondContact O-N 2.95Å
488	K	50.4	Low	42.9	Very low	143 Å²	143	121.2 Å²	121.2	62%	0.622	67%	0.666	S	S	*	*	H	α-helix	trans	-61	-39.6	179.3	-138	169.5	-171.6	174.9	0	112.5	S484 A485 N492	S484-K488 WeakPolarHBondContact O-CB 3.44Å; S484-K488 PolarHBondContact O-N 3.09Å; A485-K488 PolarHBondContact O-N 3.18Å; K488-N492 WeakPolarHBondContact O-CB 3.27Å; K488-N492 PolarHBondContact O-N 3.21Å; K488-N492 PolarHBondContact O-OD1 3.35Å
489	A	48.3	Very low	42.8	Very low	67 Å²	67	123 Å²	123	55%	0.554	67%	0.667	S	S	*	*	H	α-helix	trans	-66	-41.1	173.1	0	0	0	0	0	112.7	A485 I487 Y491 G493	A485-A489 WeakPolarHBondContact O-CB 3.26Å; A485-A489 PolarHBondContact O-N 3.32Å; I487-A489 VanDerWaalsContact C-N 3.33Å; I487-A489 PolarHBondContact O-N 3.37Å; A489-Y491 VanDerWaalsContact C-N 3.34Å; A489-Y491 PolarHBondContact O-N 2.95Å; A489-G493 PolarHBondContact O-N 3.18Å
490	K	48.9	Very low	42.9	Very low	178 Å²	178	120 Å²	120	77%	0.774	67%	0.667	S	S	*	*	H	α-helix	trans	-70.2	-26.7	-179.6	-164.1	173.5	-176.8	-176.4	0	113.3	K486 I487	K486-K490 VanDerWaalsContact O-CB 3.28Å; K486-K490 WeakPolarHBondContact O-CB 3.32Å; K486-K490 PolarHBondContact O-N 2.87Å; I487-K490 PolarHBondContact O-N 3.14Å; I487-K490 VanDerWaalsContact O-N 3.1Å
491	Y	48.9	Very low	42.8	Very low	187 Å²	187	123.5 Å²	123.5	73%	0.733	67%	0.67	S	S	*	*	H	α-helix	trans	-91.8	-30.6	174.6	-77.5	-75.9	0	0	0	114.1	I487 A489	I487-Y491 HydrophobicContact CG2-CD2 3.8Å; I487-Y491 HydrophobicContact CG2-CE2 4.02Å; I487-Y491 WeakPolarHBondContact O-CD2 3.46Å; I487-Y491 PolarHBondContact O-N 2.95Å; A489-Y491 VanDerWaalsContact C-N 3.34Å; A489-Y491 PolarHBondContact O-N 2.95Å
492	N	50.8	Low	42.2	Very low	137 Å²	137	125.6 Å²	125.6	73%	0.733	68%	0.68	S	S	*	*	H	α-helix	trans	-81.3	-15.9	175.1	-78.2	42.5	0	0	0	114.1	K488	K488-N492 WeakPolarHBondContact O-CB 3.27Å; K488-N492 PolarHBondContact O-N 3.21Å; K488-N492 PolarHBondContact O-OD1 3.35Å
493	G	39.5	Very low	41.6	Very low	70 Å²	70	129 Å²	129	72%	0.722	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	9.2	179.1	0	0	0	0	0	115.7	A489	A489-G493 PolarHBondContact O-N 3.18Å
494	G	34	Very low	40.7	Very low	59 Å²	59	129.1 Å²	129.1	61%	0.608	71%	0.705	S	S	*	*			trans	-96.5	-3.4	-160.5	0	0	0	0	0	118.2
495	M	38.3	Very low	40	Very low	174 Å²	174	133 Å²	133	86%	0.857	73%	0.732	S	S	*	*	S	Bend	trans	-139.5	86	-176.4	-68.7	-173.6	74.4	0	0	113.1
496	N	35	Very low	39.3	Very low	175 Å²	175	134.9 Å²	134.9	94%	0.936	75%	0.748	S	S	*	*			trans	176.9	104.7	136.8	-93.8	-25.6	0	0	0	110.2
497	G	31.5	Very low	38.5	Very low	78 Å²	78	135.2 Å²	135.2	80%	0.804	76%	0.761	S	S	*	*			trans	-136.9	45.1	-167.4	0	0	0	0	0	115
498	K	36.1	Very low	37.8	Very low	208 Å²	208	136.4 Å²	136.4	90%	0.904	78%	0.775	S	S	*	*			trans	-137.6	115.1	167.4	-73.4	-170.4	177	-179.1	0	111.4
499	R	31.6	Very low	37	Very low	246 Å²	246	136.4 Å²	136.4	93%	0.928	78%	0.777	S	S	*	*			trans	-86.5	157.3	152.1	-79	-176.6	169.8	-172.3	-4.2	108.6
500	P	36.4	Very low	36.5	Very low	124 Å²	124	138.1 Å²	138.1	81%	0.805	79%	0.785	S	S	*	*			trans	-128.7	159.5	133.6	36.4	-28.1	0	0	0	114
501	K	32.3	Very low	35.8	Very low	194 Å²	194	136.9 Å²	136.9	84%	0.843	78%	0.78	S	S	*	*			trans	-84.1	169.6	159.6	-72.7	-176.4	176.8	-173.9	0	108.5
502	C	28.5	Very low	35.2	Very low	97 Å²	97	139.1 Å²	139.1	66%	0.655	79%	0.787	S	S	*	*			cis	-167.4	169	-15.8	-104.1	0	0	0	0	107.9
503	T	33.1	Very low	34.7	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	79%	0.785	S	S	*	*			trans	51.8	107	147	52.4	0	0	0	0	121.6
504	T	30.1	Very low	34.5	Very low	135 Å²	135	141.4 Å²	141.4	83%	0.828	79%	0.788	S	S	*	*				49.1	116.5	128.2	58.2	0	0	0	0	122
505	S	33.6	Very low	34.4	Very low	130 Å²	130	143.3 Å²	143.3	91%	0.909	79%	0.793	S	S	*	*				-160.5	-166.3	104.1	62.3	0	0	0	0	109.6
506	A	34.2	Very low	34.3	Very low	88 Å²	88	141.7 Å²	141.7	73%	0.727	79%	0.792	S	S	*	*			trans	-131.4	-173.8	-160.5	0	0	0	0	0	114.9
507	V	35.5	Very low	34.3	Very low	143 Å²	143	141.6 Å²	141.6	87%	0.867	79%	0.786	S	S	*	*			trans	93.5	140.4	169.8	-171	0	0	0	0	116.4
508	P	36.8	Very low	34.5	Very low	114 Å²	114	143 Å²	143	74%	0.74	78%	0.781	S	S	*	*			trans	-132.3	-155	-164.6	42.7	-21.5	0	0	0	115.6
509	E	33.8	Very low	34.7	Very low	143 Å²	143	138.7 Å²	138.7	67%	0.668	77%	0.774	S	S	*	*			trans	78.6	120.8	172.5	-61.5	-140	107.5	0	0	118.4	K511	E509-K511 WeakPolarHBondContact OE1-CE 3.45Å; E509-K511 IonicContact OE1-NZ 2.75Å; E509-K511 PolarHBondContact OE1-NZ 3.44Å; E509-K511 IonicContact OE2-NZ 2.9Å; E509-K511 PolarHBondContact OE2-NZ 3.37Å
510	S	36.6	Very low	34.6	Very low	103 Å²	103	132 Å²	132	72%	0.72	77%	0.765	S	S	*	*				-174.1	129.6	80.9	32.3	0	0	0	0	110.2
511	K	35.8	Very low	34.6	Very low	152 Å²	152	134.2 Å²	134.2	66%	0.661	76%	0.764	S	S	*	*				55.4	124.5	100.3	-62.3	159.1	-172.2	153	0	112.6	E509	E509-K511 WeakPolarHBondContact OE1-CE 3.45Å; E509-K511 IonicContact OE1-NZ 2.75Å; E509-K511 PolarHBondContact OE1-NZ 3.44Å; E509-K511 IonicContact OE2-NZ 2.9Å; E509-K511 PolarHBondContact OE2-NZ 3.37Å
512	R	36	Very low	34.6	Very low	233 Å²	233	129.6 Å²	129.6	88%	0.879	76%	0.757	S	S	*	*			cis	145.2	167.2	16.2	-112.8	-166.5	174.7	-173.9	-0.9	104.1
513	P	39.7	Very low	34.8	Very low	107 Å²	107	130.6 Å²	130.6	70%	0.695	76%	0.764	S	S	*	*			cis	-139.2	175.1	-36	40.1	-22.1	0	0	0	115.2
514	N	35.8	Very low	34.8	Very low	148 Å²	148	130.2 Å²	130.2	79%	0.791	77%	0.767	S	S	*	*			trans	-15	166.4	139.3	-64.4	16.2	0	0	0	119.6
515	S	31.5	Very low	35	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	77%	0.765	S	S	*	*			cis	175.8	151.1	-21.1	59	0	0	0	0	110.3
516	V	35.7	Very low	35	Very low	139 Å²	139	133.7 Å²	133.7	84%	0.842	76%	0.76	S	S	*	*			trans	-143.1	108.1	162.8	-178.5	0	0	0	0	107
517	E	34.8	Very low	35	Very low	173 Å²	173	133.3 Å²	133.3	81%	0.808	76%	0.757	S	S	*	*				88.7	156.8	80	-109.2	-159	178.9	0	0	113.9
518	P	36.2	Very low	34.9	Very low	109 Å²	109	137.9 Å²	137.9	71%	0.708	76%	0.758	S	S	*	*				-125.7	-145.6	-104.3	48.3	-32.3	0	0	0	113.3
519	P	40.1	Very low	34.8	Very low	116 Å²	116	137.7 Å²	137.7	75%	0.753	76%	0.755	S	S	*	*				-124.4	145.1	-128.8	33.2	-11.4	0	0	0	117.2
520	S	29.4	Very low	34.7	Very low	105 Å²	105	138 Å²	138	73%	0.734	76%	0.761	S	S	*	*			trans	-179	172.6	150.6	44.1	0	0	0	0	113.8
521	H	37.5	Very low	34.8	Very low	171 Å²	171	138.1 Å²	138.1	79%	0.792	76%	0.76	S	S	*	*			trans	73.9	110.7	158.6	-67.8	-67	0	0	0	122.9
522	S	32.8	Very low	34.8	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	76%	0.762	S	S	*	*				53.6	105.5	129.8	63.6	0	0	0	0	123.4
523	S	31.2	Very low	34.7	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	75%	0.752	S	S	*	*				44.9	103.3	126	61.7	0	0	0	0	121.8
524	S	33.4	Very low	34.4	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	76%	0.756	S	S	*	*			trans	-161.9	163	155.6	66.4	0	0	0	0	109.3
525	K	34.9	Very low	34.3	Very low	182 Å²	182	131.1 Å²	131.1	79%	0.791	75%	0.754	S	S	*	*			cis	-155	141.2	-16.6	-111.5	168.1	-177.8	174.5	0	106.5
526	I	34.3	Very low	34.5	Very low	156 Å²	156	134.1 Å²	134.1	80%	0.8	76%	0.756	S	S	*	*				50.3	133.3	98	-62	-176.9	0	0	0	114.9
527	A	33.3	Very low	34.3	Very low	80 Å²	80	132.8 Å²	132.8	66%	0.661	74%	0.741	S	S	*	*			cis	-177.4	174.1	-17.7	0	0	0	0	0	109.7
528	R	33.7	Very low	34.1	Very low	238 Å²	238	135 Å²	135	90%	0.898	74%	0.742	S	S	*	*			trans	148.8	146.2	147.9	-84.2	160.7	-177.4	179.4	0.9	111.3
529	T	35.4	Very low	33.9	Very low	110 Å²	110	135.4 Å²	135.4	68%	0.675	75%	0.747	S	S	*	*			cis	176.8	121.6	-40.4	29.5	0	0	0	0	107.5
530	D	30.9	Very low	33.4	Very low	150 Å²	150	135 Å²	135	80%	0.802	75%	0.747	S	S	*	*				42.8	168.7	128.3	-68.7	-7.3	0	0	0	122.9
531	P	39.5	Very low	33.5	Very low	106 Å²	106	141.5 Å²	141.5	69%	0.688	76%	0.755	S	S	*	*			cis	-140.2	-172.4	-10.2	24.5	2.1	0	0	0	116.7
532	T	35.4	Very low	33	Very low	114 Å²	114	144.5 Å²	144.5	70%	0.699	76%	0.76	S	S	*	*			trans	75.5	107.1	137.9	38.5	0	0	0	0	125.8
533	T	34.2	Very low	32.8	Very low	109 Å²	109	145.1 Å²	145.1	67%	0.669	76%	0.764	S	S	*	*				64.5	123.7	120.5	59	0	0	0	0	126.4
534	N	32.6	Very low	32.6	Very low	148 Å²	148	145.3 Å²	145.3	79%	0.791	76%	0.76	S	S	*	*				82.9	159.1	125.1	-67.1	-13.2	0	0	0	124.1
535	V	34.1	Very low	32.5	Very low	122 Å²	122	145.1 Å²	145.1	74%	0.739	75%	0.754	S	S	*	*			trans	92	96.4	156.2	-168.9	0	0	0	0	119.5
536	H	35.4	Very low	32.2	Very low	162 Å²	162	144 Å²	144	75%	0.75	76%	0.757	S	S	*	*			trans	56	168.2	135.2	-69.7	-9.9	0	0	0	121
537	Q	32.2	Very low	32	Very low	111 Å²	111	140.4 Å²	140.4	52%	0.519	76%	0.758	S	S	.	*			cis	-159	155.1	-24.9	-114.3	-176.5	47.7	0	0	108.3
538	R	29.5	Very low	31.8	Very low	221 Å²	221	141.8 Å²	141.8	83%	0.834	76%	0.763	S	S	*	*			trans	63.2	164.6	152.7	-74.3	172.5	175.1	168.3	-2.6	116.2
539	S	32.4	Very low	31.5	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	76%	0.762	S	S	*	*			cis	-152.1	162.7	-16.1	33.8	0	0	0	0	110.6
540	S	29.2	Very low	31.3	Very low	108 Å²	108	138.3 Å²	138.3	76%	0.755	77%	0.771	S	S	*	*			trans	-95.3	142.5	-175.7	44.6	0	0	0	0	114.8
541	R	31.2	Very low	31.1	Very low	241 Å²	241	136.4 Å²	136.4	91%	0.909	77%	0.769	S	S	*	*			trans	-177.2	134.9	146.4	-94.1	150.5	-167.6	-144.8	4.2	106.7
542	R	27.3	Very low	30.8	Very low	235 Å²	235	140.9 Å²	140.9	89%	0.887	78%	0.781	S	S	*	*			cis	105.1	126.3	24.4	-170.3	-172.1	-148.8	-159.8	9.1	110.7
543	S	28.2	Very low	30.4	Very low	111 Å²	111	144.5 Å²	144.5	78%	0.776	79%	0.787	S	S	*	*			trans	81.2	152.7	173.7	109.2	0	0	0	0	115.6
544	V	28.7	Very low	30.3	Very low	120 Å²	120	145.2 Å²	145.2	73%	0.727	80%	0.796	S	S	*	*			cis	-164.5	172.8	-15	107.8	0	0	0	0	112.1
545	T	31.1	Very low	30.1	Very low	107 Å²	107	144.7 Å²	144.7	66%	0.656	79%	0.794	S	S	*	*			trans	68.3	120.3	163.1	41.4	0	0	0	0	123
546	N	27.9	Very low	30	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	80%	0.801	S	S	*	*				57.2	136.7	124.7	-52.9	-0.3	0	0	0	122.6
547	G	30.6	Very low	29.7	Very low	79 Å²	79	146.3 Å²	146.3	81%	0.814	80%	0.803	S	S	*	*			trans	165.5	66.7	164.6	0	0	0	0	0	119.1
548	S	29.1	Very low	29.4	Very low	110 Å²	110	146.5 Å²	146.5	77%	0.769	82%	0.816	S	S	*	*			trans	5.3	120.9	162.1	-56.3	0	0	0	0	123.3
549	I	27.4	Very low	29.3	Very low	170 Å²	170	140.3 Å²	140.3	87%	0.872	81%	0.806	S	S	*	*				45.5	115.1	122.8	-53.3	161.9	0	0	0	119.8
550	A	29.6	Very low	28.8	Very low	104 Å²	104	140.8 Å²	140.8	86%	0.86	81%	0.808	S	S	*	*			trans	-155	156.3	136	0	0	0	0	0	110.1
551	S	28.5	Very low	28.7	Very low	110 Å²	110	146.3 Å²	146.3	77%	0.769	81%	0.814	S	S	*	*			trans	-134.6	154.4	-174.1	67.6	0	0	0	0	113.9
552	Q	32.9	Very low	28.4	Very low	200 Å²	200	139.2 Å²	139.2	94%	0.935	80%	0.802	S	S	*	*			trans	-138.3	158.5	159.4	-74.1	-159.7	-7	0	0	111.1
553	K	27.3	Very low	28.5	Very low	190 Å²	190	135 Å²	135	83%	0.826	80%	0.797	S	S	*	*			trans	-113.2	156.5	-166.1	-58.9	175.7	178.4	178.6	0	112.5
554	S	32.1	Very low	28.7	Very low	124 Å²	124	136.8 Å²	136.8	87%	0.867	80%	0.796	S	S	*	*			trans	-149.2	156.4	142	57.3	0	0	0	0	110.3
555	N	27.2	Very low	28.6	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	80%	0.803	S	S	*	*			trans	-113.4	152.8	-162.9	-63.8	-20.1	0	0	0	113.6
556	T	31.9	Very low	28.5	Very low	146 Å²	146	137.4 Å²	137.4	90%	0.896	81%	0.809	S	S	*	*			trans	-148	149.9	137.1	23.4	0	0	0	0	110.2
557	H	30	Very low	28.4	Very low	172 Å²	172	137.7 Å²	137.7	80%	0.796	80%	0.803	S	S	*	*			trans	-68.4	146.6	-171.8	-82.5	-131.3	0	0	0	113.3
558	C	25.6	Very low	28.3	Very low	115 Å²	115	141.9 Å²	141.9	78%	0.777	81%	0.805	S	S	*	*			cis	76.9	136.3	47.6	-156.2	0	0	0	0	111.4
559	S	27	Very low	28.2	Very low	92 Å²	92	145.1 Å²	145.1	64%	0.643	80%	0.802	S	S	*	*			cis	-140.7	152.3	23.9	55	0	0	0	0	116.2
560	C	23	Very low	28.1	Very low	126 Å²	126	145 Å²	145	85%	0.851	80%	0.801	S	S	*	*			trans	-95.7	168.2	152.9	-59.8	0	0	0	0	109.3
561	Y	27.2	Very low	28	Very low	223 Å²	223	147.3 Å²	147.3	88%	0.875	80%	0.8	S	S	*	*			trans	-135.6	139.2	164	-106.5	-83.6	0	0	0	109.4
562	S	24.5	Very low	27.9	Very low	93 Å²	93	150.8 Å²	150.8	65%	0.65	80%	0.804	S	S	*	*			trans	-147.8	174	171.6	61.1	0	0	0	0	108.8
563	D	29.7	Very low	27.7	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	80%	0.8	S	S	*	*			trans	69.7	156.5	-177	-40	-19.2	0	0	0	112.5
564	I	31	Very low	27.6	Very low	148 Å²	148	142.6 Å²	142.6	76%	0.759	79%	0.793	S	S	*	*			cis	-138.4	141.5	13.9	-43.7	159.6	0	0	0	109.9
565	N	28.1	Very low	27.4	Very low	163 Å²	163	143.3 Å²	143.3	87%	0.872	79%	0.792	S	S	*	*			trans	17.3	122.6	160.2	-55	-16.2	0	0	0	120.6
566	G	27.6	Very low	27.4	Very low	77 Å²	77	143.1 Å²	143.1	79%	0.794	79%	0.789	S	S	*	*			trans	-171.7	100	165.6	0	0	0	0	0	114.6
567	K	26.3	Very low	27.1	Very low	167 Å²	167	141.8 Å²	141.8	73%	0.726	78%	0.78	S	S	*	*			trans	-27.4	125.1	179.6	-61.8	175.5	174.9	179.7	0	116.3	Y569	K567-Y569 HydrophobicContact CB-CD2 4.1Å; K567-Y569 HydrophobicContact CB-CE2 3.83Å; K567-Y569 HydrophobicContact CD-CE2 3.57Å; K567-Y569 HydrophobicContact CG-CE2 4.38Å; K567-Y569 PolarHBondContact NZ-OH 2.88Å
568	I	27.9	Very low	27.1	Very low	166 Å²	166	141.3 Å²	141.3	85%	0.851	78%	0.784	S	S	*	*			trans	-81.3	117	160.2	-60.8	175.9	0	0	0	108.1
569	Y	28.3	Very low	27.1	Very low	179 Å²	179	143.2 Å²	143.2	70%	0.702	79%	0.786	S	S	*	*			trans	-93.9	109.4	165.4	-78.8	-89.2	0	0	0	109	K567	K567-Y569 HydrophobicContact CB-CD2 4.1Å; K567-Y569 HydrophobicContact CB-CE2 3.83Å; K567-Y569 HydrophobicContact CD-CE2 3.57Å; K567-Y569 HydrophobicContact CG-CE2 4.38Å; K567-Y569 PolarHBondContact NZ-OH 2.88Å
570	L	24.1	Very low	27.2	Very low	166 Å²	166	145.1 Å²	145.1	87%	0.869	79%	0.794	S	S	*	*			trans	-62.9	135.9	157.3	-81.8	160.9	0	0	0	108.3
571	N	27.3	Very low	27.4	Very low	154 Å²	154	147.1 Å²	147.1	82%	0.824	79%	0.791	S	S	*	*			trans	-143.3	115.9	161.5	-151.2	6.2	0	0	0	110.3
572	Q	26	Very low	27.5	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	79%	0.79	S	S	*	*			trans	-82.9	141.2	171.6	-66.5	169.2	-38.8	0	0	108.5
573	S	29.9	Very low	27.7	Very low	123 Å²	123	144.9 Å²	144.9	86%	0.86	79%	0.791	S	S	*	*			trans	-144.5	116.2	160.9	36.1	0	0	0	0	109.9
574	S	24.9	Very low	27.7	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	79%	0.791	S	S	*	*			trans	-112.7	139.4	-170.1	51.6	0	0	0	0	111.8
575	V	28.6	Very low	27.5	Very low	139 Å²	139	144.7 Å²	144.7	84%	0.842	79%	0.787	S	S	*	*			trans	-150.3	104.1	161	-177.9	0	0	0	0	104.3
576	I	26	Very low	27.6	Very low	133 Å²	133	145.8 Å²	145.8	68%	0.682	79%	0.786	S	S	*	*				60.1	82.1	64	-53.4	-176.4	0	0	0	109.7
577	V	26.1	Very low	27.5	Very low	117 Å²	117	147.9 Å²	147.9	71%	0.709	78%	0.784	S	S	*	*				70.2	124.2	90.2	171.1	0	0	0	0	112.6
578	D	29.4	Very low	27.7	Very low	162 Å²	162	146.9 Å²	146.9	87%	0.866	79%	0.785	S	S	*	*			trans	-160.6	151.2	136.5	-101.4	-25	0	0	0	110.1
579	D	25.8	Very low	27.7	Very low	155 Å²	155	146.1 Å²	146.1	83%	0.829	78%	0.777	S	S	*	*			trans	-87.8	143.5	-174.9	-75.6	-64.4	0	0	0	113.4
580	V	29.6	Very low	28	Very low	133 Å²	133	145.1 Å²	145.1	81%	0.806	78%	0.782	S	S	*	*			trans	-141	123	159.2	-177.3	0	0	0	0	110.3
581	Q	26.7	Very low	28.2	Very low	168 Å²	168	143.5 Å²	143.5	79%	0.785	78%	0.775	S	S	*	*			trans	-70.1	126.6	169.1	-67.2	168.8	-102.5	0	0	110.5	N583	Q581-N583 PolarHBondContact O-N 3.5Å
582	V	30.3	Very low	28.4	Very low	142 Å²	142	139.7 Å²	139.7	86%	0.861	77%	0.772	S	S	*	*			trans	-95	89.2	168.5	-176.8	0	0	0	0	109
583	N	29.1	Very low	28.5	Very low	127 Å²	127	138.6 Å²	138.6	68%	0.679	77%	0.772	S	S	*	*			trans	-83.2	135.5	161.9	-79	-11.3	0	0	0	109.6	Q581	Q581-N583 PolarHBondContact O-N 3.5Å
584	Q	29.3	Very low	28.5	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	77%	0.774	S	S	*	*			trans	23	130.6	152.5	-73.2	164.5	-32	0	0	120.8
585	D	25.7	Very low	28.5	Very low	126 Å²	126	144.9 Å²	144.9	67%	0.674	78%	0.782	S	S	*	*			trans	61.5	112.6	147.1	-50.6	-22.7	0	0	0	119.2
586	H	31.3	Very low	28.6	Very low	186 Å²	186	146.3 Å²	146.3	86%	0.861	78%	0.781	S	S	*	*				-175.4	145.6	95.6	-89	-58	0	0	0	113.1
587	T	25.1	Very low	28.5	Very low	121 Å²	121	145.5 Å²	145.5	74%	0.742	79%	0.787	S	S	*	*			trans	-79.3	139.8	175.1	-47	0	0	0	0	111.2
588	I	30.4	Very low	28.6	Very low	146 Å²	146	146.7 Å²	146.7	75%	0.749	80%	0.795	S	S	*	*			trans	-128	111.7	162.9	-60.1	-178.5	0	0	0	109	I590	I588-I590 HydrophobicContact CG2-CG1 4.14Å
589	H	26.7	Very low	28.6	Very low	149 Å²	149	148.6 Å²	148.6	69%	0.69	80%	0.795	S	S	*	*			trans	-77.8	145.5	162.5	-101.4	-113.7	0	0	0	109.7	D591	H589-D591 IonicContact CE1-OD2 3.67Å; H589-D591 IonicContact CG-OD2 3.75Å; H589-D591 IonicContact ND1-OD2 2.72Å; H589-D591 PolarHBondContact ND1-OD2 3.18Å
590	I	35.2	Very low	28.5	Very low	159 Å²	159	146.8 Å²	146.8	82%	0.815	79%	0.794	S	S	*	*			trans	-135.5	90.7	161.4	-54.9	-179.4	0	0	0	107.1	I588	I588-I590 HydrophobicContact CG2-CG1 4.14Å
591	D	28.3	Very low	28.6	Very low	132 Å²	132	146 Å²	146	71%	0.706	79%	0.792	S	S	*	*			trans	-93.5	145.2	166.9	-68	-70.5	0	0	0	109.5	H589	H589-D591 IonicContact CE1-OD2 3.67Å; H589-D591 IonicContact CG-OD2 3.75Å; H589-D591 IonicContact ND1-OD2 2.72Å; H589-D591 PolarHBondContact ND1-OD2 3.18Å
592	G	32.8	Very low	28.7	Very low	74 Å²	74	143.6 Å²	143.6	76%	0.763	79%	0.791	S	S	*	*			trans	-175.9	97.7	-175.3	0	0	0	0	0	111.4
593	D	27.6	Very low	28.5	Very low	158 Å²	158	145.1 Å²	145.1	85%	0.845	79%	0.794	S	S	*	*			trans	-64.8	131.7	-171.1	-65.8	-71.7	0	0	0	114.2
594	Y	30.4	Very low	28.6	Very low	232 Å²	232	146 Å²	146	91%	0.91	80%	0.798	S	S	*	*			trans	-147.7	99.7	154.3	-107.6	-78.2	0	0	0	111
595	S	24.6	Very low	28.5	Very low	119 Å²	119	146.3 Å²	146.3	83%	0.832	80%	0.804	S	S	*	*			trans	-85.9	119.1	175.3	57.6	0	0	0	0	111.2
596	M	29.3	Very low	28.7	Very low	170 Å²	170	148.9 Å²	148.9	84%	0.837	81%	0.812	S	S	*	*			trans	-140.5	122.1	167.5	-89.3	-65	-82.7	0	0	110.6
597	S	24	Very low	28.6	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	81%	0.811	S	S	*	*			trans	-78.6	130	-176.2	65	0	0	0	0	112.5
598	V	29.6	Very low	28.9	Very low	143 Å²	143	146.2 Å²	146.2	87%	0.867	81%	0.81	S	S	*	*			trans	-128.6	137.7	163.5	-175.8	0	0	0	0	109.6
599	K	28.2	Very low	29	Very low	202 Å²	202	145.1 Å²	145.1	88%	0.878	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.9	145	-167.1	-62.5	168.3	-177.4	173.7	0	112.2
600	S	24.8	Very low	29.4	Very low	116 Å²	116	145 Å²	145	81%	0.811	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.6	131.6	-179.7	44.8	0	0	0	0	113.4
601	P	31	Very low	29.3	Very low	116 Å²	116	143.8 Å²	143.8	75%	0.753	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-85	158.4	163	33.9	-32.1	0	0	0	111.5
602	P	27.9	Very low	29.6	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-83.3	163.2	-168.2	33	-37.3	0	0	0	115.2	I604	P602-I604 PolarHBondContact O-N 3.05Å
603	N	28	Very low	29.7	Very low	173 Å²	173	146.3 Å²	146.3	93%	0.925	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-48.1	119.1	174.9	-76.9	-73.1	0	0	0	114.1
604	I	29.5	Very low	30.4	Very low	146 Å²	146	143.6 Å²	143.6	75%	0.749	78%	0.78	S	S	*	*			trans	-131.8	124.2	159.4	-62.1	-177	0	0	0	108.5	P602 Q606	P602-I604 PolarHBondContact O-N 3.05Å; I604-Q606 PolarHBondContact O-N 2.93Å
605	L	27.1	Very low	31.1	Very low	171 Å²	171	134.6 Å²	134.6	90%	0.895	75%	0.75	S	S	*	*			trans	-68.5	127.5	177.5	-68.5	109.3	0	0	0	111.4
606	Q	31.6	Very low	32.2	Very low	180 Å²	180	134.1 Å²	134.1	84%	0.841	74%	0.744	S	S	*	*			trans	-130	127.2	154	-65.9	-164.3	15.1	0	0	109.8	I604 G608	I604-Q606 PolarHBondContact O-N 2.93Å; Q606-G608 PolarHBondContact O-N 3.03Å
607	Q	28.9	Very low	33.6	Very low	181 Å²	181	128.2 Å²	128.2	85%	0.846	72%	0.723	S	S	*	*			trans	-77.9	106	178.2	-67	170.7	-73.1	0	0	108.7	T609	Q607-T609 PolarHBondContact O-N 3.37Å
608	G	31	Very low	35.3	Very low	70 Å²	70	124 Å²	124	72%	0.722	69%	0.693	S	S	*	*			trans	-63.5	117	-179.9	0	0	0	0	0	112.2	Q606 K610	Q606-G608 PolarHBondContact O-N 3.03Å; G608-K610 PolarHBondContact O-N 3.33Å
609	T	33	Very low	36.7	Very low	122 Å²	122	122.9 Å²	122.9	75%	0.748	69%	0.688	S	S	*	*			trans	-64.7	96	176.5	-50.7	0	0	0	0	110.5	Q607 I611	Q607-T609 PolarHBondContact O-N 3.37Å; T609-I611 PolarHBondContact O-N 3.1Å; T609-I611 VanDerWaalsContact O-N 3.09Å
610	K	35.6	Very low	38.5	Very low	146 Å²	146	117 Å²	117	64%	0.635	67%	0.667	S	S	*	*			trans	-66.4	109.1	172.9	-68.5	-168.6	176.3	-171.8	0	109.6	G608 F612 P913	G608-K610 PolarHBondContact O-N 3.33Å; K610-F612 HydrophobicContact CB-CE2 4.11Å; K610-F612 VanDerWaalsContact O-CD2 3.31Å; K610-F612 WeakPolarHBondContact O-CD2 3.5Å; K610-F612 PolarHBondContact O-N 3.4Å; K610-P913 HydrophobicContact CD-CG 4.35Å
611	I	31.6	Very low	40.5	Very low	134 Å²	134	116 Å²	116	69%	0.687	65%	0.652	S	S	*	*			trans	-73.1	122.5	171.9	-60.9	175	0	0	0	107.6	T609	T609-I611 PolarHBondContact O-N 3.1Å; T609-I611 VanDerWaalsContact O-N 3.09Å
612	F	34.9	Very low	42.6	Very low	100 Å²	100	117.6 Å²	117.6	44%	0.439	65%	0.649	S	S	.	*			trans	-95.1	114.2	173.8	-73.4	-87.7	0	0	0	109.3	K610 V614 M912 P913	K610-F612 HydrophobicContact CB-CE2 4.11Å; K610-F612 VanDerWaalsContact O-CD2 3.31Å; K610-F612 WeakPolarHBondContact O-CD2 3.5Å; K610-F612 PolarHBondContact O-N 3.4Å; F612-V614 PolarHBondContact O-N 3.12Å; F612-M912 HydrophobicContact CE1-CB 4.08Å; F612-P913 VanDerWaalsContact CE1-CD 3.46Å; F612-P913 HydrophobicContact CE1-CG 4.42Å; F612-P913 HydrophobicContact CZ-CG 4.19Å
613	I	34.4	Very low	44.9	Very low	160 Å²	160	116.2 Å²	116.2	82%	0.821	64%	0.639	S	S	*	*			trans	-76.9	105.6	167.9	-57.5	176.2	0	0	0	106.7
614	V	43.6	Very low	47.1	Very low	101 Å²	101	110.2 Å²	110.2	61%	0.612	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-72.4	128.4	166.7	-177.4	0	0	0	0	106.8	F612	F612-V614 PolarHBondContact O-N 3.12Å
615	P	43.7	Very low	49.4	Very low	42 Å²	42	106.8 Å²	106.8	27%	0.273	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-61.4	141.3	175.8	25.8	-33.4	0	0	0	109.7	Y904	P615-Y904 HydrophobicContact CG-CE2 3.71Å
616	P	48.8	Very low	52	Low	109 Å²	109	104 Å²	104	71%	0.708	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-58.4	146.5	179.3	24.8	-33.8	0	0	0	111.1
617	A	58.9	Low	54.3	Low	47 Å²	47	98.4 Å²	98.4	39%	0.388	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-63.2	156	173.3	0	0	0	0	0	111.1	Q974	A617-Q974 HydrophobicContact CB-CB 4.07Å
618	S	59.3	Low	56.6	Low	26 Å²	26	92 Å²	92	18%	0.182	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-58.1	139.1	167.1	-81.1	0	0	0	0	109.8	L620 Q974 E977	S618-L620 PolarHBondContact O-N 2.64Å; S618-L620 VanDerWaalsContact O-N 3.17Å; S618-Q974 PolarHBondContact N-O 2.93Å; S618-E977 VanDerWaalsContact CB-OE2 3.23Å; S618-E977 WeakPolarHBondContact CB-OE2 3.28Å; S618-E977 PolarHBondContact OG-OE2 3.12Å
619	P	59.8	Low	59.1	Low	119 Å²	119	90.3 Å²	90.3	77%	0.773	50%	0.495	S	S	*	.			trans	-64.8	115.3	169.8	27.7	-32.6	0	0	0	109.1	N621	P619-N621 PolarHBondContact O-N 2.79Å
620	L	64.1	Low	61.4	Low	80 Å²	80	89.6 Å²	89.6	42%	0.419	49%	0.487	S	S	.	.			trans	-75.9	119	179	-64.2	177.3	0	0	0	110	S618 M973 Q974	S618-L620 PolarHBondContact O-N 2.64Å; S618-L620 VanDerWaalsContact O-N 3.17Å; L620-M973 HydrophobicContact CD1-CB 4.49Å; L620-M973 HydrophobicContact CD2-CB 4.09Å; L620-Q974 HydrophobicContact CD1-CG 4.15Å
621	N	68	Low	63.6	Low	93 Å²	93	87.2 Å²	87.2	50%	0.497	48%	0.481	S	S	.	.			trans	-78	137.9	167.8	-169.6	-2.4	0	0	0	109.9	P619 T623 T624 F625	P619-N621 PolarHBondContact O-N 2.79Å; N621-T623 VanDerWaalsContact C-N 3.35Å; N621-T623 PolarHBondContact ND2-OG1 3.08Å; N621-T623 PolarHBondContact O-N 2.72Å; N621-T624 WeakPolarHBondContact O-CB 3.24Å; N621-T624 PolarHBondContact O-N 3.14Å; N621-F625 PolarHBondContact O-N 3.4Å
622	E	75.3	Confident	66.1	Low	150 Å²	150	81.2 Å²	81.2	70%	0.701	45%	0.451	S	S	*	.	H	α-helix	trans	-63	-39.4	-176.9	-170.8	162.8	-144.9	0	0	111.9	T624 F625 E626	E622-T624 PolarHBondContact O-N 3.22Å; E622-F625 WeakPolarHBondContact O-CB 3.49Å; E622-F625 PolarHBondContact O-N 2.75Å; E622-F625 VanDerWaalsContact O-N 3.14Å; E622-E626 PolarHBondContact O-N 3.26Å
623	T	75.3	Confident	68.2	Low	91 Å²	91	77.4 Å²	77.4	56%	0.558	44%	0.436	S	S	*	.	H	α-helix	trans	-66.3	-37.6	175.4	58.7	0	0	0	0	112.5	N621 F625 S627	N621-T623 VanDerWaalsContact C-N 3.35Å; N621-T623 PolarHBondContact ND2-OG1 3.08Å; N621-T623 PolarHBondContact O-N 2.72Å; T623-F625 VanDerWaalsContact C-N 3.32Å; T623-S627 WeakPolarHBondContact O-CB 3.49Å; T623-S627 PolarHBondContact O-N 3.44Å
624	T	74.6	Confident	70.2	Confident	46 Å²	46	70.9 Å²	70.9	28%	0.282	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-36.9	172.4	-58.5	0	0	0	0	111.2	N621 E622 Q628	N621-T624 WeakPolarHBondContact O-CB 3.24Å; N621-T624 PolarHBondContact O-N 3.14Å; E622-T624 PolarHBondContact O-N 3.22Å; T624-Q628 VanDerWaalsContact CG2-NE2 3.35Å; T624-Q628 WeakPolarHBondContact O-CB 3.29Å; T624-Q628 WeakPolarHBondContact O-CG 3.43Å; T624-Q628 PolarHBondContact O-N 3.27Å
625	F	78.5	Confident	70.9	Confident	74 Å²	74	70.2 Å²	70.2	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-64.5	-54.1	176.8	174	-84.7	0	0	0	111.7	N621 E622 T623 S627 Q628 M629 M970 M973	N621-F625 PolarHBondContact O-N 3.4Å; E622-F625 WeakPolarHBondContact O-CB 3.49Å; E622-F625 PolarHBondContact O-N 2.75Å; E622-F625 VanDerWaalsContact O-N 3.14Å; T623-F625 VanDerWaalsContact C-N 3.32Å; F625-S627 PolarHBondContact O-N 2.84Å; F625-Q628 PolarHBondContact O-N 2.9Å; F625-M629 HydrophobicContact CD1-CG 4.44Å; F625-M629 HydrophobicContact CE1-CG 4.09Å; F625-M629 HydrophobicContact CZ-CG 4.13Å; F625-M629 WeakPolarHBondContact O-CG 3.39Å; F625-M629 PolarHBondContact O-N 3.01Å; F625-M970 HydrophobicContact CE2-CE 4.02Å; F625-M970 HydrophobicContact CE2-SD 3.57Å; F625-M970 VanDerWaalsContact CE2-SD 3.57Å; F625-M970 HydrophobicContact CZ-CE 4.45Å; F625-M970 HydrophobicContact CZ-SD 3.95Å; F625-M973 HydrophobicContact CB-CE 4.13Å; F625-M973 HydrophobicContact CD2-CE 3.35Å; F625-M973 HydrophobicContact CD2-SD 4.06Å; F625-M973 HydrophobicContact CE2-CE 3.91Å; F625-M973 HydrophobicContact CE2-SD 4.21Å; F625-M973 HydrophobicContact CG-CE 3.89Å
626	E	80.6	Confident	71.5	Confident	112 Å²	112	75.7 Å²	75.7	52%	0.523	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-44.6	178.4	-68.6	-166.9	139.5	0	0	111.7	E622 Q628 M629 N630	E622-E626 PolarHBondContact O-N 3.26Å; E626-Q628 PolarHBondContact O-N 3.18Å; E626-M629 PolarHBondContact O-N 3.25Å; E626-N630 WeakPolarHBondContact O-CB 3.24Å; E626-N630 VanDerWaalsContact O-CG 3.26Å; E626-N630 PolarHBondContact O-N 3.19Å; E626-N630 PolarHBondContact O-ND2 2.86Å
627	S	80	Confident	71.6	Confident	63 Å²	63	75.3 Å²	75.3	44%	0.441	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-44.5	177.7	-178.7	0	0	0	0	112.3	T623 F625 N631	T623-S627 WeakPolarHBondContact O-CB 3.49Å; T623-S627 PolarHBondContact O-N 3.44Å; F625-S627 PolarHBondContact O-N 2.84Å; S627-N631 WeakPolarHBondContact O-CB 3.35Å; S627-N631 PolarHBondContact O-N 3.2Å; S627-N631 PolarHBondContact O-ND2 3.18Å
628	Q	78.1	Confident	70.7	Confident	46 Å²	46	81.4 Å²	81.4	22%	0.215	43%	0.427	C	S	.	.	H	α-helix	trans	-68.5	-35.2	178	-74.8	-174.1	40.5	0	0	112.8	T624 F625 E626 M973	T624-Q628 VanDerWaalsContact CG2-NE2 3.35Å; T624-Q628 WeakPolarHBondContact O-CB 3.29Å; T624-Q628 WeakPolarHBondContact O-CG 3.43Å; T624-Q628 PolarHBondContact O-N 3.27Å; F625-Q628 PolarHBondContact O-N 2.9Å; E626-Q628 PolarHBondContact O-N 3.18Å; Q628-M973 HydrophobicContact CB-CE 3.95Å
629	M	83	Confident	69.2	Low	35 Å²	35	88.1 Å²	88.1	17%	0.172	46%	0.455	C	S	.	.	H	α-helix	trans	-69.5	-47.7	176.7	-74.6	-70.6	-68.2	0	0	112.3	F625 E626 N631 L632 I966 C969 M970 M973	F625-M629 HydrophobicContact CD1-CG 4.44Å; F625-M629 HydrophobicContact CE1-CG 4.09Å; F625-M629 HydrophobicContact CZ-CG 4.13Å; F625-M629 WeakPolarHBondContact O-CG 3.39Å; F625-M629 PolarHBondContact O-N 3.01Å; E626-M629 PolarHBondContact O-N 3.25Å; M629-N631 PolarHBondContact O-N 3.12Å; M629-L632 WeakPolarHBondContact O-CB 3.46Å; M629-L632 WeakPolarHBondContact O-CG 3.44Å; M629-L632 PolarHBondContact O-N 3.26Å; M629-L632 HydrophobicContact SD-CD1 4.05Å; M629-I966 HydrophobicContact CE-CD1 4.12Å; M629-I966 HydrophobicContact CE-CG1 3.95Å; M629-I966 HydrophobicContact CE-CG2 3.9Å; M629-I966 HydrophobicContact SD-CG2 4.37Å; M629-C969 HydrophobicContact SD-CB 4.49Å; M629-M970 HydrophobicContact SD-SD 4.45Å; M629-M973 HydrophobicContact CG-CE 4.23Å
630	N	81.7	Confident	67.7	Low	107 Å²	107	86.9 Å²	86.9	57%	0.572	45%	0.447	S	S	*	.	H	α-helix	trans	-65.1	-24.8	179.4	-70.8	-29.7	0	0	0	112.8	E626	E626-N630 WeakPolarHBondContact O-CB 3.24Å; E626-N630 VanDerWaalsContact O-CG 3.26Å; E626-N630 PolarHBondContact O-N 3.19Å; E626-N630 PolarHBondContact O-ND2 2.86Å
631	N	81.7	Confident	66	Low	97 Å²	97	90.9 Å²	90.9	52%	0.519	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.4	177.1	-84.6	-68.4	0	0	0	115	S627 M629	S627-N631 WeakPolarHBondContact O-CB 3.35Å; S627-N631 PolarHBondContact O-N 3.2Å; S627-N631 PolarHBondContact O-ND2 3.18Å; M629-N631 PolarHBondContact O-N 3.12Å
632	L	82.8	Confident	64.2	Low	8 Å²	8	94.5 Å²	94.5	4%	0.042	48%	0.483	C	S	.	.	S	Bend	trans	-67.4	137.6	-179.6	-68.5	173.4	0	0	0	112.4	M629 F634 H635 P854 I966 C969	M629-L632 WeakPolarHBondContact O-CB 3.46Å; M629-L632 WeakPolarHBondContact O-CG 3.44Å; M629-L632 PolarHBondContact O-N 3.26Å; M629-L632 HydrophobicContact SD-CD1 4.05Å; L632-F634 VanDerWaalsContact C-N 3.3Å; L632-F634 HydrophobicContact CB-CD1 3.76Å; L632-F634 HydrophobicContact CB-CE1 3.58Å; L632-F634 HydrophobicContact CD1-CE1 3.82Å; L632-F634 HydrophobicContact CG-CE1 4.35Å; L632-F634 PolarHBondContact O-N 3.45Å; L632-F634 VanDerWaalsContact O-N 3.14Å; L632-H635 PolarHBondContact O-N 2.93Å; L632-P854 HydrophobicContact CD2-CB 3.93Å; L632-I966 HydrophobicContact CD1-CG1 3.88Å; L632-C969 HydrophobicContact CD1-CB 4.01Å; L632-C969 HydrophobicContact CD2-CB 4.11Å
633	P	79.5	Confident	62.1	Low	20 Å²	20	92.3 Å²	92.3	13%	0.13	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-52.1	-38.1	-173.8	-30.2	34.5	0	0	0	116	H635 R636 T723 P854 E965	P633-H635 PolarHBondContact O-N 3.02Å; P633-H635 VanDerWaalsContact O-N 3.17Å; P633-R636 WeakPolarHBondContact O-CB 3.39Å; P633-R636 PolarHBondContact O-N 2.92Å; P633-T723 HydrophobicContact CG-CG2 4.16Å; P633-P854 HydrophobicContact CG-CB 4.22Å; P633-P854 HydrophobicContact CG-CG 3.5Å; P633-E965 VanDerWaalsContact CD-OE2 3.27Å; P633-E965 WeakPolarHBondContact CD-OE2 3.14Å
634	F	76.7	Confident	60	Low	23 Å²	23	91.9 Å²	91.9	10%	0.101	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-58.6	-28.7	-177.2	78.5	-93.3	0	0	0	114	L632 R636 S637 M962 E965 I966	L632-F634 VanDerWaalsContact C-N 3.3Å; L632-F634 HydrophobicContact CB-CD1 3.76Å; L632-F634 HydrophobicContact CB-CE1 3.58Å; L632-F634 HydrophobicContact CD1-CE1 3.82Å; L632-F634 HydrophobicContact CG-CE1 4.35Å; L632-F634 PolarHBondContact O-N 3.45Å; L632-F634 VanDerWaalsContact O-N 3.14Å; F634-R636 PolarHBondContact O-N 3.22Å; F634-S637 PolarHBondContact O-N 3.29Å; F634-S637 PolarHBondContact O-OG 3.39Å; F634-M962 HydrophobicContact CB-CB 4.39Å; F634-M962 HydrophobicContact CD1-CB 4.24Å; F634-M962 HydrophobicContact CD1-CG 4.29Å; F634-M962 HydrophobicContact CD2-CB 3.75Å; F634-M962 HydrophobicContact CD2-CG 3.74Å; F634-M962 HydrophobicContact CD2-SD 4.3Å; F634-M962 HydrophobicContact CE1-CG 4.09Å; F634-M962 HydrophobicContact CE2-CB 4.11Å; F634-M962 HydrophobicContact CE2-CE 3.85Å; F634-M962 HydrophobicContact CE2-CG 3.54Å; F634-M962 HydrophobicContact CE2-SD 3.92Å; F634-M962 HydrophobicContact CG-CB 3.85Å; F634-M962 HydrophobicContact CG-CG 4.14Å; F634-M962 HydrophobicContact CZ-CB 4.49Å; F634-M962 HydrophobicContact CZ-CE 4.07Å; F634-M962 HydrophobicContact CZ-CG 3.73Å; F634-M962 HydrophobicContact CZ-SD 4.47Å; F634-E965 HydrophobicContact CD1-CB 4.14Å; F634-E965 WeakPolarHBondContact CD1-OE2 3.37Å; F634-E965 PolarHBondContact N-OE2 2.72Å; F634-I966 HydrophobicContact CE1-CD1 3.98Å; F634-I966 HydrophobicContact CE1-CG1 3.7Å; F634-I966 HydrophobicContact CZ-CD1 3.79Å; F634-I966 HydrophobicContact CZ-CG1 4.04Å
635	H	59.2	Low	57.7	Low	87 Å²	87	95.8 Å²	95.8	40%	0.403	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-64.8	-23	178.1	-90.2	-65.9	0	0	0	112.8	L632 P633 S637	L632-H635 PolarHBondContact O-N 2.93Å; P633-H635 PolarHBondContact O-N 3.02Å; P633-H635 VanDerWaalsContact O-N 3.17Å; H635-S637 VanDerWaalsContact C-N 3.32Å; H635-S637 PolarHBondContact O-N 3.2Å
636	R	55.9	Low	55.4	Low	157 Å²	157	98.3 Å²	98.3	59%	0.592	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-79.8	-7.8	-177.6	-57.3	-171.3	-176.6	-148.6	-1.5	114.1	P633 F634	P633-R636 WeakPolarHBondContact O-CB 3.39Å; P633-R636 PolarHBondContact O-N 2.92Å; F634-R636 PolarHBondContact O-N 3.22Å
637	S	49.9	Very low	53.1	Low	101 Å²	101	100 Å²	100	71%	0.706	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-91	-7.9	179	46.4	0	0	0	0	115.6	F634 H635	F634-S637 PolarHBondContact O-N 3.29Å; F634-S637 PolarHBondContact O-OG 3.39Å; H635-S637 VanDerWaalsContact C-N 3.32Å; H635-S637 PolarHBondContact O-N 3.2Å
638	E	40.9	Very low	50.9	Low	175 Å²	175	105.8 Å²	105.8	82%	0.818	57%	0.568	S	S	*	*	S	Bend	trans	-119.4	2	-176.8	-64.2	-161.6	159	0	0	115.3	P640	E638-P640 WeakPolarHBondContact O-CD 3.06Å
639	Q	28.6	Very low	48.7	Very low	166 Å²	166	108.3 Å²	108.3	78%	0.776	59%	0.59	S	S	*	*			trans	-85.8	110.5	165.5	-73.5	-165.3	-11.7	0	0	110.6
640	P	27.5	Very low	46.2	Very low	93 Å²	93	112.1 Å²	112.1	60%	0.604	62%	0.62	S	S	*	*			trans	-68.3	151.8	162	31.1	-34.4	0	0	0	109.6	E638 Q642	E638-P640 WeakPolarHBondContact O-CD 3.06Å; P640-Q642 HydrophobicContact CG-CG 4.29Å; P640-Q642 PolarHBondContact O-N 3.36Å
641	N	28.6	Very low	43.9	Very low	164 Å²	164	113.1 Å²	113.1	88%	0.877	63%	0.63	S	S	*	*			trans	-62.2	93.9	173.5	-76.2	-0.9	0	0	0	110.6
642	Q	29.9	Very low	41.5	Very low	170 Å²	170	114.2 Å²	114.2	79%	0.794	65%	0.646	S	S	*	*			trans	-119.7	32	170.9	-68	-169	-4.8	0	0	111.4	P640 S644	P640-Q642 HydrophobicContact CG-CG 4.29Å; P640-Q642 PolarHBondContact O-N 3.36Å; Q642-S644 PolarHBondContact O-N 2.82Å
643	S	32.3	Very low	39.2	Very low	104 Å²	104	117.7 Å²	117.7	73%	0.727	68%	0.683	S	S	*	*			trans	-69	73.8	163.1	56.7	0	0	0	0	110.2	C645	S643-C645 PolarHBondContact O-N 3.01Å
644	S	31	Very low	37.1	Very low	81 Å²	81	121.8 Å²	121.8	57%	0.566	71%	0.712	S	S	*	*			trans	9.2	96.6	163.2	174.5	0	0	0	0	116.5	Q642 N646	Q642-S644 PolarHBondContact O-N 2.82Å; S644-N646 PolarHBondContact O-N 2.83Å; S644-N646 VanDerWaalsContact O-N 3.09Å; S644-N646 PolarHBondContact OG-ND2 3.41Å
645	C	25.3	Very low	35	Very low	129 Å²	129	127.6 Å²	127.6	87%	0.872	74%	0.744	S	S	*	*			trans	-68.2	100.4	156.2	-53.3	0	0	0	0	108.6	S643	S643-C645 PolarHBondContact O-N 3.01Å
646	N	31.4	Very low	34	Very low	127 Å²	127	130.7 Å²	130.7	68%	0.679	76%	0.763	S	S	*	*			trans	-150	151	171.2	-86.3	-55.3	0	0	0	110.7	S644	S644-N646 PolarHBondContact O-N 2.83Å; S644-N646 VanDerWaalsContact O-N 3.09Å; S644-N646 PolarHBondContact OG-ND2 3.41Å
647	N	31.7	Very low	32.9	Very low	147 Å²	147	130.5 Å²	130.5	79%	0.786	77%	0.774	S	S	*	*			trans	61.4	85.4	166.5	-55	-12.2	0	0	0	117.1
648	L	33.5	Very low	32	Very low	185 Å²	185	131.2 Å²	131.2	97%	0.969	78%	0.779	S	S	*	*				-164.5	125.7	111.3	-100.8	157.7	0	0	0	109.8
649	S	31.4	Very low	31.7	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	78%	0.778	S	S	*	*			trans	-111.1	138.2	-172.6	53	0	0	0	0	111.5
650	S	30.3	Very low	31.9	Very low	115 Å²	115	125.2 Å²	125.2	80%	0.804	78%	0.775	S	S	*	*			trans	60.5	141.8	174.1	56.2	0	0	0	0	115.1
651	T	34.6	Very low	32.1	Very low	127 Å²	127	129.1 Å²	129.1	78%	0.779	79%	0.787	S	S	*	*			cis	-146.1	162.7	32	-55.5	0	0	0	0	112
652	S	31.1	Very low	32.3	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	78%	0.776	S	S	*	*			trans	-46.4	137.5	174.9	-42.5	0	0	0	0	115.3
653	G	33.5	Very low	32.2	Very low	80 Å²	80	126.4 Å²	126.4	83%	0.825	78%	0.778	S	S	*	*			trans	-163.8	115.1	170.4	0	0	0	0	0	111.1
654	S	36	Very low	32.2	Very low	106 Å²	106	127.5 Å²	127.5	74%	0.741	78%	0.78	S	S	*	*			trans	-77.7	145.1	-168.2	52.3	0	0	0	0	115.4
655	N	33.1	Very low	32	Very low	145 Å²	145	131 Å²	131	78%	0.775	79%	0.792	S	S	*	*			trans	42.2	125.6	143.9	-54.2	-13	0	0	0	119.9
656	L	37.7	Very low	32.3	Very low	152 Å²	152	130.3 Å²	130.3	80%	0.796	79%	0.789	S	S	*	*				-169.3	149.5	101.1	-100.5	162.7	0	0	0	113.5
657	D	32.8	Very low	32.4	Very low	154 Å²	154	135.4 Å²	135.4	82%	0.824	80%	0.799	S	S	*	*			trans	50.7	147.9	161.3	-65.4	-17.9	0	0	0	123.5
658	S	30.2	Very low	32.3	Very low	116 Å²	116	141 Å²	141	81%	0.811	81%	0.809	S	S	*	*			trans	-140.8	137.5	-171.1	66.6	0	0	0	0	111.1
659	S	36	Very low	32.3	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	80%	0.795	S	S	*	*			trans	-146.8	107.7	166.4	48.9	0	0	0	0	113
660	S	32.2	Very low	32.3	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	80%	0.802	S	S	*	*			trans	38.2	105.9	146.8	58.9	0	0	0	0	120.8
661	M	32.2	Very low	32.4	Very low	176 Å²	176	145.7 Å²	145.7	87%	0.867	81%	0.807	S	S	*	*			trans	-133.8	137.1	132.5	-93.2	-65.2	112.9	0	0	109.6
662	P	32.2	Very low	32.5	Very low	100 Å²	100	146.5 Å²	146.5	65%	0.649	80%	0.803	S	S	*	*			trans	-88.6	124.1	-162.1	32.3	-34.6	0	0	0	114.6	T664	P662-T664 PolarHBondContact O-N 3.39Å
663	Q	28.4	Very low	33.4	Very low	177 Å²	177	144.7 Å²	144.7	83%	0.827	79%	0.786	S	S	*	*			trans	-73.2	104.6	168.8	-69	-172.5	0.2	0	0	111.6	N665	Q663-N665 PolarHBondContact O-N 3.01Å
664	T	32.3	Very low	34.3	Very low	127 Å²	127	144 Å²	144	78%	0.779	76%	0.764	S	S	*	*			trans	-87.7	83.7	174.3	45.8	0	0	0	0	111.8	P662 S666	P662-T664 PolarHBondContact O-N 3.39Å; T664-S666 PolarHBondContact O-N 3.03Å
665	N	27.2	Very low	35.4	Very low	154 Å²	154	141.9 Å²	141.9	82%	0.824	75%	0.746	S	S	*	*			trans	-62.6	91.5	168.3	-91.9	-57.1	0	0	0	111	Q663	Q663-N665 PolarHBondContact O-N 3.01Å
666	S	31.3	Very low	37	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	73%	0.73	S	S	*	*			trans	-102.2	131.5	178.2	-162.4	0	0	0	0	112.5	T664	T664-S666 PolarHBondContact O-N 3.03Å
667	R	32.6	Very low	38.3	Very low	234 Å²	234	141.8 Å²	141.8	88%	0.883	73%	0.73	S	S	*	*			trans	-65.7	140.5	-168.1	-66.3	166.4	171.9	152.4	-4.2	112.2	S669	R667-S669 PolarHBondContact O-N 2.89Å
668	R	30.1	Very low	40.4	Very low	264 Å²	264	136.1 Å²	136.1	100%	0.996	70%	0.698	S	S	*	*			trans	-51.7	109.5	166.1	-77.5	179.1	170.8	169.1	-3.3	110.3
669	S	33.7	Very low	42.7	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	70%	0.695	S	S	*	*			trans	-113	127.1	170.4	-169	0	0	0	0	109.6	R667	R667-S669 PolarHBondContact O-N 2.89Å
670	N	31.8	Very low	44.8	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	66%	0.66	S	S	*	*	S	Bend	trans	-78.6	138.9	179.1	-84.6	-43.5	0	0	0	110.8
671	R	31.8	Very low	47.5	Very low	244 Å²	244	129.1 Å²	129.1	92%	0.921	63%	0.628	S	S	*	*			trans	80.3	81.1	-178	-50.5	171.4	177.7	178.5	-0.4	114.9
672	Q	37.3	Very low	50.2	Low	145 Å²	145	125 Å²	125	68%	0.678	60%	0.602	S	S	*	*			trans	-122.5	120.3	161.3	-139.4	150.3	-12.4	0	0	108.9
673	T	48.4	Very low	53.1	Low	83 Å²	83	120.4 Å²	120.4	51%	0.509	57%	0.573	S	S	.	*			trans	-99.5	108.2	166.6	49.4	0	0	0	0	107.1	V675	T673-V675 PolarHBondContact O-N 3.01Å
674	D	52.2	Low	56.1	Low	64 Å²	64	114.3 Å²	114.3	34%	0.342	54%	0.543	S	S	.	.			trans	-71.8	102	-178.6	-54.1	-45.5	0	0	0	109.5	Y676 K685	D674-Y676 HydrophobicContact CB-CE2 4.23Å; D674-K685 WeakPolarHBondContact O-CB 3.35Å; D674-K685 PolarHBondContact O-N 3.26Å
675	V	59.9	Low	58.7	Low	63 Å²	63	109.4 Å²	109.4	38%	0.382	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	96.5	176.5	177.5	0	0	0	0	107.5	T673 K677 W682 V683 K684	T673-V675 PolarHBondContact O-N 3.01Å; V675-K677 PolarHBondContact O-N 3.02Å; V675-W682 HydrophobicContact CG1-CZ2 4.37Å; V675-V683 CarbonylContact C-O 3.57Å; V675-V683 WeakPolarHBondContact CA-O 3.41Å; V675-V683 WeakPolarHBondContact CG1-O 3.46Å; V675-K684 HydrophobicContact CG2-CB 4.44Å; V675-K684 HydrophobicContact CG2-CG 4.5Å
676	Y	66.1	Low	61.2	Low	112 Å²	112	103.2 Å²	103.2	44%	0.439	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	95.6	171.9	-63.9	-76.3	0	0	0	108.8	D674 F678 V683	D674-Y676 HydrophobicContact CB-CE2 4.23Å; Y676-F678 WeakPolarHBondContact O-CD2 3.38Å; Y676-F678 PolarHBondContact O-N 3.11Å; Y676-V683 PolarHBondContact N-O 2.99Å; Y676-V683 VanDerWaalsContact N-O 3.13Å; Y676-V683 WeakPolarHBondContact O-CB 3.42Å
677	K	64.8	Low	63.2	Low	183 Å²	183	101.5 Å²	101.5	80%	0.796	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	96.5	174.7	-171.5	-178.1	178.4	-171.3	0	109.8	V675	V675-K677 PolarHBondContact O-N 3.02Å
678	F	78.4	Confident	65	Low	34 Å²	34	99.2 Å²	99.2	15%	0.149	46%	0.462	C	S	.	.			trans	-75.7	175.8	161.8	-60.7	-97.5	0	0	0	109.9	Y676 I681 V683 E714 I717 V718	Y676-F678 WeakPolarHBondContact O-CD2 3.38Å; Y676-F678 PolarHBondContact O-N 3.11Å; F678-I681 HydrophobicContact CB-CG1 3.76Å; F678-I681 WeakPolarHBondContact CB-O 3.34Å; F678-I681 HydrophobicContact CD2-CD1 4.37Å; F678-I681 HydrophobicContact CD2-CG1 4.09Å; F678-I681 HydrophobicContact CG-CD1 4.43Å; F678-I681 HydrophobicContact CG-CG1 4.01Å; F678-V683 HydrophobicContact CD2-CB 4.3Å; F678-V683 HydrophobicContact CD2-CG2 3.74Å; F678-V683 HydrophobicContact CE2-CB 4.21Å; F678-V683 HydrophobicContact CE2-CG2 3.8Å; F678-E714 HydrophobicContact CB-CB 4.46Å; F678-E714 HydrophobicContact CB-CG 4.22Å; F678-E714 WeakPolarHBondContact CB-OE2 3.42Å; F678-E714 HydrophobicContact CD1-CB 4.05Å; F678-E714 HydrophobicContact CD1-CG 3.91Å; F678-E714 HydrophobicContact CG-CB 4.45Å; F678-E714 HydrophobicContact CG-CG 4.44Å; F678-I717 HydrophobicContact CE1-CB 4.4Å; F678-I717 HydrophobicContact CE1-CG2 3.91Å; F678-I717 HydrophobicContact CZ-CG2 4.2Å; F678-V718 HydrophobicContact CD2-CG2 4.06Å; F678-V718 HydrophobicContact CE1-CG2 4.21Å; F678-V718 HydrophobicContact CE2-CG2 3.33Å; F678-V718 HydrophobicContact CZ-CG2 3.42Å; F678-V718 VanDerWaalsContact CZ-CG2 3.42Å
679	K	77.7	Confident	67.1	Low	170 Å²	170	87.2 Å²	87.2	74%	0.739	42%	0.42	S	S	*	.	S	Bend	trans	-85.1	-31.6	-176.9	-65.2	167.7	176.7	175.7	0	112	Q710 E714	K679-Q710 VanDerWaalsContact CB-NE2 3.3Å; K679-E714 WeakPolarHBondContact CB-OE1 3.33Å; K679-E714 PolarHBondContact N-OE1 2.89Å; K679-E714 VanDerWaalsContact N-OE1 3.16Å
680	S	80.2	Confident	69.6	Low	9 Å²	9	83.6 Å²	83.6	6%	0.063	40%	0.398	C	S	.	.	S	Bend	trans	-126.2	3	-170.6	-56	0	0	0	0	114.5	Q697 Q710 E714	S680-Q697 CarbonylContact C-O 3.52Å; S680-Q697 VanDerWaalsContact C-O 3.23Å; S680-Q697 CarbonylContact O-C 3.56Å; S680-Q710 PolarHBondContact OG-NE2 2.87Å; S680-E714 WeakPolarHBondContact CA-OE2 3.34Å; S680-E714 WeakPolarHBondContact CB-OE2 3.35Å; S680-E714 PolarHBondContact N-OE2 2.8Å
681	I	89.6	Confident	72.6	Confident	5 Å²	5	76.1 Å²	76.1	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.3	165.4	59.7	179.6	0	0	0	110.6	F678 V683 L696 V711 E714 L715 V718	F678-I681 HydrophobicContact CB-CG1 3.76Å; F678-I681 WeakPolarHBondContact CB-O 3.34Å; F678-I681 HydrophobicContact CD2-CD1 4.37Å; F678-I681 HydrophobicContact CD2-CG1 4.09Å; F678-I681 HydrophobicContact CG-CD1 4.43Å; F678-I681 HydrophobicContact CG-CG1 4.01Å; I681-V683 HydrophobicContact CD1-CG2 4.15Å; I681-V683 HydrophobicContact CG1-CG2 4.22Å; I681-L696 HydrophobicContact CG2-CD2 4.08Å; I681-V711 HydrophobicContact CG2-CG1 4.13Å; I681-E714 HydrophobicContact CD1-CB 3.73Å; I681-E714 HydrophobicContact CG1-CB 3.97Å; I681-E714 PolarHBondContact N-OE2 2.74Å; I681-L715 HydrophobicContact CD1-CD2 3.93Å; I681-L715 HydrophobicContact CD1-CG 4.17Å; I681-L715 HydrophobicContact CG2-CD2 4.25Å; I681-L715 HydrophobicContact CG2-CG 4.3Å; I681-V718 HydrophobicContact CD1-CB 4.48Å; I681-V718 HydrophobicContact CD1-CG2 3.69Å
682	W	89	Confident	75.5	Confident	88 Å²	88	64.9 Å²	64.9	33%	0.333	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.7	176	-173.9	82	0	0	0	110.9	V675 K684 W695	V675-W682 HydrophobicContact CG1-CZ2 4.37Å; W682-K684 HydrophobicContact CE3-CB 4.31Å; W682-K684 HydrophobicContact CH2-CB 3.73Å; W682-K684 HydrophobicContact CH2-CD 3.43Å; W682-K684 VanDerWaalsContact CH2-CD 3.43Å; W682-K684 HydrophobicContact CH2-CG 4.23Å; W682-K684 HydrophobicContact CZ2-CB 4.24Å; W682-K684 HydrophobicContact CZ2-CD 4.23Å; W682-K684 HydrophobicContact CZ3-CB 3.73Å; W682-K684 HydrophobicContact CZ3-CD 4.01Å; W682-W695 HydrophobicContact CB-CB 4.36Å; W682-W695 HydrophobicContact CE3-CB 4.12Å; W682-W695 AromaticContact CE3-CD1 3.46Å; W682-W695 VanDerWaalsContact CE3-CD1 3.46Å; W682-W695 AromaticContact CE3-CG 3.95Å; W682-W695 HydrophobicContact CE3-CG 3.95Å; W682-W695 AromaticContact CZ3-CD1 3.62Å; W682-W695 HydrophobicContact CZ3-CG 4.37Å; W682-W695 AromaticContact CZ3-NE1 3.95Å; W682-W695 PolarHBondContact N-O 3.21Å; W682-W695 PolarHBondContact O-N 2.94Å
683	V	92.4	Very high	78.3	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.5	-175.1	-175.6	0	0	0	0	110.7	V675 Y676 F678 I681 T692 E693 V694 V718	V675-V683 CarbonylContact C-O 3.57Å; V675-V683 WeakPolarHBondContact CA-O 3.41Å; V675-V683 WeakPolarHBondContact CG1-O 3.46Å; Y676-V683 PolarHBondContact N-O 2.99Å; Y676-V683 VanDerWaalsContact N-O 3.13Å; Y676-V683 WeakPolarHBondContact O-CB 3.42Å; F678-V683 HydrophobicContact CD2-CB 4.3Å; F678-V683 HydrophobicContact CD2-CG2 3.74Å; F678-V683 HydrophobicContact CE2-CB 4.21Å; F678-V683 HydrophobicContact CE2-CG2 3.8Å; I681-V683 HydrophobicContact CD1-CG2 4.15Å; I681-V683 HydrophobicContact CG1-CG2 4.22Å; V683-T692 HydrophobicContact CG1-CG2 3.66Å; V683-E693 CarbonylContact C-O 3.52Å; V683-E693 WeakPolarHBondContact CA-O 3.37Å; V683-V694 HydrophobicContact CG1-CG2 4.49Å; V683-V694 HydrophobicContact CG2-CG1 4.39Å; V683-V694 HydrophobicContact CG2-CG2 4.39Å; V683-V718 HydrophobicContact CG1-CG1 4.45Å; V683-V718 HydrophobicContact CG2-CG1 4.29Å; V683-V718 HydrophobicContact CG2-CG2 3.71Å
684	K	90.3	Very high	80.5	Confident	48 Å²	48	54.2 Å²	54.2	21%	0.209	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	111.6	179.1	164.6	169.6	166	-87.5	0	109.8	V675 W682 N686 E693	V675-K684 HydrophobicContact CG2-CB 4.44Å; V675-K684 HydrophobicContact CG2-CG 4.5Å; W682-K684 HydrophobicContact CE3-CB 4.31Å; W682-K684 HydrophobicContact CH2-CB 3.73Å; W682-K684 HydrophobicContact CH2-CD 3.43Å; W682-K684 VanDerWaalsContact CH2-CD 3.43Å; W682-K684 HydrophobicContact CH2-CG 4.23Å; W682-K684 HydrophobicContact CZ2-CB 4.24Å; W682-K684 HydrophobicContact CZ2-CD 4.23Å; W682-K684 HydrophobicContact CZ3-CB 3.73Å; W682-K684 HydrophobicContact CZ3-CD 4.01Å; K684-N686 PolarHBondContact O-N 3.41Å; K684-E693 HydrophobicContact CB-CB 4.3Å; K684-E693 PolarHBondContact N-O 3.13Å; K684-E693 IonicContact NZ-OE1 2.72Å; K684-E693 PolarHBondContact NZ-OE1 3.39Å; K684-E693 IonicContact NZ-OE2 3.02Å; K684-E693 PolarHBondContact NZ-OE2 2.86Å; K684-E693 PolarHBondContact O-N 3.36Å
685	K	87	Confident	82.5	Confident	24 Å²	24	51.8 Å²	51.8	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	108.5	169.4	-173.8	176.5	173.8	174.9	0	109	D674 V687 D725 T726	D674-K685 WeakPolarHBondContact O-CB 3.35Å; D674-K685 PolarHBondContact O-N 3.26Å; K685-V687 VanDerWaalsContact C-N 3.32Å; K685-V687 HydrophobicContact CD-CG2 4.27Å; K685-V687 HydrophobicContact CG-CG2 4.04Å; K685-V687 PolarHBondContact O-N 2.8Å; K685-V687 VanDerWaalsContact O-N 3.1Å; K685-D725 WeakPolarHBondContact CE-OD1 3.27Å; K685-D725 WeakPolarHBondContact CE-OD2 3.45Å; K685-D725 IonicContact NZ-OD1 2.73Å; K685-D725 PolarHBondContact NZ-OD1 3.41Å; K685-D725 IonicContact NZ-OD2 3.73Å; K685-T726 WeakPolarHBondContact CE-OG1 3.43Å; K685-T726 PolarHBondContact NZ-OG1 2.53Å
686	N	81.5	Confident	84.1	Confident	25 Å²	25	49 Å²	49	13%	0.134	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	75.7	179.9	-166.2	-21.8	0	0	0	109.5	K684 Q688 G689 G690 F691 E693	K684-N686 PolarHBondContact O-N 3.41Å; N686-Q688 PolarHBondContact O-N 3.02Å; N686-G689 CarbonylContact O-C 3.54Å; N686-G689 WeakPolarHBondContact O-CA 3.3Å; N686-G689 PolarHBondContact O-N 2.72Å; N686-G689 PolarHBondContact OD1-N 3.26Å; N686-G689 VanDerWaalsContact OD1-N 3.08Å; N686-G690 PolarHBondContact O-N 3.1Å; N686-F691 WeakPolarHBondContact CA-O 3.3Å; N686-F691 HydrophobicContact CB-CD1 4.43Å; N686-F691 HydrophobicContact CB-CE1 4.25Å; N686-F691 HydrophobicContact CB-CZ 4.49Å; N686-F691 VanDerWaalsContact CB-O 3.25Å; N686-F691 WeakPolarHBondContact CB-O 3.18Å; N686-F691 PolarHBondContact N-O 3.1Å; N686-E693 PolarHBondContact ND2-OE1 3.07Å
687	V	72.8	Confident	85	Confident	78 Å²	78	48.5 Å²	48.5	47%	0.473	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38	-176.4	-173.9	0	0	0	0	112.2	K685	K685-V687 VanDerWaalsContact C-N 3.32Å; K685-V687 HydrophobicContact CD-CG2 4.27Å; K685-V687 HydrophobicContact CG-CG2 4.04Å; K685-V687 PolarHBondContact O-N 2.8Å; K685-V687 VanDerWaalsContact O-N 3.1Å
688	Q	69.5	Low	85.7	Confident	187 Å²	187	40.3 Å²	40.3	87%	0.874	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.1	176.8	-68	-178.6	-17.1	0	0	113.8	N686	N686-Q688 PolarHBondContact O-N 3.02Å
689	G	74.9	Confident	85.3	Confident	11 Å²	11	43.4 Å²	43.4	11%	0.113	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-16.7	177.3	0	0	0	0	0	114.3	N686 F691 A957	N686-G689 CarbonylContact O-C 3.54Å; N686-G689 WeakPolarHBondContact O-CA 3.3Å; N686-G689 PolarHBondContact O-N 2.72Å; N686-G689 PolarHBondContact OD1-N 3.26Å; N686-G689 VanDerWaalsContact OD1-N 3.08Å; G689-F691 WeakPolarHBondContact O-CD1 3.41Å; G689-A957 WeakPolarHBondContact O-CB 3.39Å
690	G	86.7	Confident	84.5	Confident	20 Å²	20	38.8 Å²	38.8	21%	0.206	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	19.7	-176.2	0	0	0	0	0	115	N686 R728	N686-G690 PolarHBondContact O-N 3.1Å; G690-R728 PolarHBondContact O-N 3.46Å
691	F	93.6	Very high	84.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.6	-177.9	71.9	-77	0	0	0	113.3	N686 G689 E693 L729 M731 L950 C953 R954 A957	N686-F691 WeakPolarHBondContact CA-O 3.3Å; N686-F691 HydrophobicContact CB-CD1 4.43Å; N686-F691 HydrophobicContact CB-CE1 4.25Å; N686-F691 HydrophobicContact CB-CZ 4.49Å; N686-F691 VanDerWaalsContact CB-O 3.25Å; N686-F691 WeakPolarHBondContact CB-O 3.18Å; N686-F691 PolarHBondContact N-O 3.1Å; G689-F691 WeakPolarHBondContact O-CD1 3.41Å; F691-E693 HydrophobicContact CD2-CG 4.18Å; F691-E693 HydrophobicContact CE2-CG 3.51Å; F691-E693 HydrophobicContact CZ-CG 4.12Å; F691-L729 WeakPolarHBondContact CA-O 3.17Å; F691-L729 HydrophobicContact CB-CD1 3.52Å; F691-L729 HydrophobicContact CB-CG 3.68Å; F691-L729 WeakPolarHBondContact CB-O 3.42Å; F691-L729 HydrophobicContact CD2-CD1 4.04Å; F691-L729 HydrophobicContact CG-CD1 3.98Å; F691-M731 HydrophobicContact CD2-CB 4.03Å; F691-M731 HydrophobicContact CE2-CB 4.09Å; F691-M731 HydrophobicContact CE2-SD 4.14Å; F691-L950 HydrophobicContact CE2-CD2 4.07Å; F691-L950 HydrophobicContact CZ-CD2 3.82Å; F691-C953 HydrophobicContact CD1-CB 4.5Å; F691-C953 HydrophobicContact CD2-CB 4.04Å; F691-C953 HydrophobicContact CE1-CB 4.2Å; F691-C953 HydrophobicContact CE2-CB 3.65Å; F691-C953 HydrophobicContact CG-CB 4.45Å; F691-C953 HydrophobicContact CZ-CB 3.76Å; F691-R954 HydrophobicContact CE1-CG 3.72Å; F691-A957 HydrophobicContact CB-CB 4.43Å; F691-A957 HydrophobicContact CD1-CB 4.44Å
692	T	94.2	Very high	83.4	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.5	173.8	-75.3	0	0	0	0	111.1	V683 V694 S727 L729 I730 M731	V683-T692 HydrophobicContact CG1-CG2 3.66Å; T692-V694 HydrophobicContact CG2-CG2 4.14Å; T692-S727 PolarHBondContact N-OG 2.9Å; T692-S727 PolarHBondContact OG1-OG 3.07Å; T692-L729 PolarHBondContact N-O 2.71Å; T692-I730 HydrophobicContact CG2-CG1 4.28Å; T692-M731 PolarHBondContact O-N 3.35Å
693	E	94.4	Very high	83	Confident	3 Å²	3	40.9 Å²	40.9	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.5	172.7	-68.7	170.5	-134.3	0	0	110.1	V683 K684 N686 F691 W695 M731 L950	V683-E693 CarbonylContact C-O 3.52Å; V683-E693 WeakPolarHBondContact CA-O 3.37Å; K684-E693 HydrophobicContact CB-CB 4.3Å; K684-E693 PolarHBondContact N-O 3.13Å; K684-E693 IonicContact NZ-OE1 2.72Å; K684-E693 PolarHBondContact NZ-OE1 3.39Å; K684-E693 IonicContact NZ-OE2 3.02Å; K684-E693 PolarHBondContact NZ-OE2 2.86Å; K684-E693 PolarHBondContact O-N 3.36Å; N686-E693 PolarHBondContact ND2-OE1 3.07Å; F691-E693 HydrophobicContact CD2-CG 4.18Å; F691-E693 HydrophobicContact CE2-CG 3.51Å; F691-E693 HydrophobicContact CZ-CG 4.12Å; E693-W695 PolarHBondContact OE2-NE1 2.87Å; E693-M731 HydrophobicContact CB-CE 3.93Å; E693-M731 HydrophobicContact CG-CE 3.79Å; E693-M731 HydrophobicContact CG-SD 4.42Å; E693-L950 HydrophobicContact CG-CD2 3.92Å
694	V	94.9	Very high	82.7	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.6	172.1	-175.5	0	0	0	0	108.8	V683 T692 L715 V718 I730 M731 I732 S733	V683-V694 HydrophobicContact CG1-CG2 4.49Å; V683-V694 HydrophobicContact CG2-CG1 4.39Å; V683-V694 HydrophobicContact CG2-CG2 4.39Å; T692-V694 HydrophobicContact CG2-CG2 4.14Å; V694-L715 HydrophobicContact CG1-CD2 3.84Å; V694-V718 HydrophobicContact CG2-CG1 3.73Å; V694-I730 HydrophobicContact CG2-CD1 3.73Å; V694-I730 HydrophobicContact CG2-CG1 3.86Å; V694-M731 PolarHBondContact N-O 3.44Å; V694-I732 HydrophobicContact CB-CG1 4.33Å; V694-I732 WeakPolarHBondContact O-CA 3.2Å; V694-S733 PolarHBondContact O-N 3.45Å
695	W	94.3	Very high	82.7	Confident	13 Å²	13	43.3 Å²	43.3	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.3	-179.6	-68	83.3	0	0	0	110	W682 E693 Q697 M731 S733 G734 T735 K946	W682-W695 HydrophobicContact CB-CB 4.36Å; W682-W695 HydrophobicContact CE3-CB 4.12Å; W682-W695 AromaticContact CE3-CD1 3.46Å; W682-W695 VanDerWaalsContact CE3-CD1 3.46Å; W682-W695 AromaticContact CE3-CG 3.95Å; W682-W695 HydrophobicContact CE3-CG 3.95Å; W682-W695 AromaticContact CZ3-CD1 3.62Å; W682-W695 HydrophobicContact CZ3-CG 4.37Å; W682-W695 AromaticContact CZ3-NE1 3.95Å; W682-W695 PolarHBondContact N-O 3.21Å; W682-W695 PolarHBondContact O-N 2.94Å; E693-W695 PolarHBondContact OE2-NE1 2.87Å; W695-Q697 PolarHBondContact O-N 3.02Å; W695-M731 HydrophobicContact CH2-CE 4.47Å; W695-M731 HydrophobicContact CZ2-CE 3.6Å; W695-S733 CarbonylContact C-O 3.54Å; W695-S733 VanDerWaalsContact CA-O 3.31Å; W695-S733 WeakPolarHBondContact CA-O 3.48Å; W695-S733 WeakPolarHBondContact CZ3-OG 3.14Å; W695-G734 WeakPolarHBondContact CZ3-O 3.04Å; W695-T735 HydrophobicContact CB-CG2 3.91Å; W695-T735 HydrophobicContact CE3-CG2 4.1Å; W695-K946 HydrophobicContact CH2-CB 4.39Å; W695-K946 HydrophobicContact CH2-CD 3.48Å; W695-K946 VanDerWaalsContact CH2-CD 3.48Å; W695-K946 HydrophobicContact CH2-CG 3.74Å; W695-K946 VanDerWaalsContact CH2-NZ 3.35Å; W695-K946 HydrophobicContact CZ2-CD 3.84Å; W695-K946 HydrophobicContact CZ2-CG 4.08Å; W695-K946 HydrophobicContact CZ3-CD 4.24Å
696	L	93.1	Very high	82.9	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.5	177.4	-55.6	178.4	0	0	0	109.7	I681 N705 F707 L715 S733 T735	I681-L696 HydrophobicContact CG2-CD2 4.08Å; L696-N705 HydrophobicContact CB-CB 4.04Å; L696-N705 PolarHBondContact O-OD1 2.89Å; L696-F707 HydrophobicContact CD1-CE1 4.28Å; L696-F707 HydrophobicContact CD1-CZ 4.14Å; L696-F707 HydrophobicContact CD2-CE1 4.49Å; L696-L715 HydrophobicContact CD2-CD1 4.08Å; L696-L715 HydrophobicContact CD2-CD2 4.12Å; L696-S733 PolarHBondContact N-O 2.97Å; L696-T735 WeakPolarHBondContact O-CB 3.5Å; L696-T735 WeakPolarHBondContact O-CG2 3.14Å; L696-T735 PolarHBondContact O-N 2.99Å; L696-T735 PolarHBondContact O-OG1 3.47Å
697	Q	85.8	Confident	83.5	Confident	102 Å²	102	41 Å²	41	48%	0.477	24%	0.235	S	C	.	.			trans	-155.9	97.7	177.5	-176.3	-176.8	-13	0	0	108.7	S680 W695 P699 T735	S680-Q697 CarbonylContact C-O 3.52Å; S680-Q697 VanDerWaalsContact C-O 3.23Å; S680-Q697 CarbonylContact O-C 3.56Å; W695-Q697 PolarHBondContact O-N 3.02Å; Q697-P699 WeakPolarHBondContact O-CD 3.3Å; Q697-T735 HydrophobicContact CB-CG2 4.16Å; Q697-T735 WeakPolarHBondContact CB-OG1 3.39Å
698	S	79.6	Confident	84.4	Confident	12 Å²	12	38.2 Å²	38.2	8%	0.084	22%	0.218	C	C	.	.			trans	-100	80	-173.3	58	0	0	0	0	112.6	G700 S701 L703 N705 G706	S698-G700 PolarHBondContact O-N 2.93Å; S698-G700 VanDerWaalsContact O-N 3.12Å; S698-S701 PolarHBondContact O-N 3.3Å; S698-L703 PolarHBondContact OG-O 3.16Å; S698-N705 WeakPolarHBondContact OG-CA 3.1Å; S698-N705 PolarHBondContact OG-N 3.19Å; S698-G706 PolarHBondContact OG-N 3.32Å
699	P	70.1	Confident	85.5	Confident	99 Å²	99	29.9 Å²	29.9	64%	0.643	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.3	-173.4	30.7	-39.3	0	0	0	114.6	Q697	Q697-P699 WeakPolarHBondContact O-CD 3.3Å
700	G	61.7	Low	86.3	Confident	73 Å²	73	32.6 Å²	32.6	75%	0.753	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	2.7	177.9	0	0	0	0	0	115	S698	S698-G700 PolarHBondContact O-N 2.93Å; S698-G700 VanDerWaalsContact O-N 3.12Å
701	S	71.9	Confident	86.6	Confident	18 Å²	18	31.9 Å²	31.9	13%	0.126	18%	0.18	C	C	.	.			trans	-100.8	142	174.1	-177.4	0	0	0	0	109.8	S698 L703 D744	S698-S701 PolarHBondContact O-N 3.3Å; S701-L703 PolarHBondContact O-N 2.99Å; S701-L703 WeakPolarHBondContact OG-CB 3.22Å; S701-L703 PolarHBondContact OG-N 2.84Å; S701-L703 PolarHBondContact OG-O 3.33Å; S701-D744 VanDerWaalsContact CB-OD2 3.25Å; S701-D744 WeakPolarHBondContact CB-OD2 3.48Å; S701-D744 PolarHBondContact OG-OD2 3.28Å
702	F	73.5	Confident	86.7	Confident	118 Å²	118	31.9 Å²	31.9	52%	0.518	18%	0.18	S	C	.	.	S	Bend	trans	-68.2	-19	165.7	-63.6	-78.8	0	0	0	111.6	R754	F702-R754 HydrophobicContact CE2-CG 3.92Å; F702-R754 HydrophobicContact CZ-CG 4.21Å
703	L	80.6	Confident	86.7	Confident	9 Å²	9	35.3 Å²	35.3	5%	0.047	20%	0.196	C	C	.	.	S	Bend	trans	-91.8	139.1	-178	-43.9	-164	0	0	0	111.1	S698 S701 N705 G706 D744 M1011	S698-L703 PolarHBondContact OG-O 3.16Å; S701-L703 PolarHBondContact O-N 2.99Å; S701-L703 WeakPolarHBondContact OG-CB 3.22Å; S701-L703 PolarHBondContact OG-N 2.84Å; S701-L703 PolarHBondContact OG-O 3.33Å; L703-N705 PolarHBondContact O-N 2.81Å; L703-G706 PolarHBondContact O-N 3.12Å; L703-D744 HydrophobicContact CD1-CB 4.37Å; L703-M1011 HydrophobicContact CD1-SD 4.22Å; L703-M1011 HydrophobicContact CD2-CE 3.5Å; L703-M1011 HydrophobicContact CD2-SD 3.55Å; L703-M1011 VanDerWaalsContact CD2-SD 3.55Å; L703-M1011 HydrophobicContact CG-SD 4.46Å
704	K	86.1	Confident	86.7	Confident	88 Å²	88	36 Å²	36	38%	0.383	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	104.6	-177.5	-58.7	179	-154.3	161.7	0	110	G706 V738 S741 V1015	K704-G706 VanDerWaalsContact C-N 3.33Å; K704-V738 HydrophobicContact CB-CB 4.01Å; K704-V738 HydrophobicContact CB-CG1 4.14Å; K704-V738 HydrophobicContact CB-CG2 4.21Å; K704-V738 HydrophobicContact CD-CB 4.49Å; K704-V738 HydrophobicContact CD-CG2 3.82Å; K704-S741 PolarHBondContact N-OG 3.12Å; K704-S741 PolarHBondContact O-N 2.82Å; K704-S741 VanDerWaalsContact O-N 3.11Å; K704-S741 PolarHBondContact O-OG 3.03Å; K704-V1015 HydrophobicContact CB-CG1 4.23Å; K704-V1015 HydrophobicContact CD-CG1 3.71Å; K704-V1015 HydrophobicContact CG-CG1 4.08Å; K704-V1015 PolarHBondContact NZ-O 3.4Å; K704-V1015 PolarHBondContact NZ-OXT 3.08Å
705	N	91.6	Very high	86.8	Confident	16 Å²	16	36.1 Å²	36.1	9%	0.086	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	41.2	-173.8	-53.4	-25.8	0	0	0	112.5	L696 S698 L703 T735 V738 F739 S740	L696-N705 HydrophobicContact CB-CB 4.04Å; L696-N705 PolarHBondContact O-OD1 2.89Å; S698-N705 WeakPolarHBondContact OG-CA 3.1Å; S698-N705 PolarHBondContact OG-N 3.19Å; L703-N705 PolarHBondContact O-N 2.81Å; N705-T735 PolarHBondContact ND2-N 3.21Å; N705-T735 PolarHBondContact ND2-O 3.46Å; N705-V738 PolarHBondContact ND2-O 2.87Å; N705-V738 VanDerWaalsContact ND2-O 3.14Å; N705-F739 VanDerWaalsContact CB-O 3.3Å; N705-F739 WeakPolarHBondContact CB-O 3.37Å; N705-F739 PolarHBondContact ND2-O 3.5Å; N705-F739 VanDerWaalsContact ND2-O 3.08Å; N705-S740 WeakPolarHBondContact O-CB 3.26Å; N705-S740 PolarHBondContact O-OG 2.93Å
706	G	91.1	Very high	86.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.			trans	-66.4	140.1	175.4	0	0	0	0	0	112.9	S698 L703 K704 T708 G742	S698-G706 PolarHBondContact OG-N 3.32Å; L703-G706 PolarHBondContact O-N 3.12Å; K704-G706 VanDerWaalsContact C-N 3.33Å; G706-T708 PolarHBondContact O-N 3.19Å; G706-T708 VanDerWaalsContact O-N 3.1Å; G706-G742 WeakPolarHBondContact CA-O 3.22Å
707	F	93.7	Very high	86.9	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-78.2	90.2	172.9	-64.6	-76.8	0	0	0	109.8	L696 V711 L712 L715 S740 G742 D744 L868 A869 I872	L696-F707 HydrophobicContact CD1-CE1 4.28Å; L696-F707 HydrophobicContact CD1-CZ 4.14Å; L696-F707 HydrophobicContact CD2-CE1 4.49Å; F707-V711 HydrophobicContact CD1-CG1 3.84Å; F707-V711 HydrophobicContact CE1-CG1 4.47Å; F707-L712 HydrophobicContact CB-CD2 4.17Å; F707-L712 HydrophobicContact CB-CG 4.28Å; F707-L712 HydrophobicContact CD1-CD2 4.12Å; F707-L712 HydrophobicContact CG-CD2 4.4Å; F707-L715 HydrophobicContact CD1-CD1 4.09Å; F707-L715 HydrophobicContact CE1-CD1 3.77Å; F707-S740 WeakPolarHBondContact CD2-OG 3.34Å; F707-S740 WeakPolarHBondContact CE2-OG 3.47Å; F707-G742 WeakPolarHBondContact CD2-O 3.45Å; F707-G742 PolarHBondContact N-O 2.92Å; F707-D744 PolarHBondContact O-N 3.19Å; F707-L868 HydrophobicContact CB-CD2 4.17Å; F707-L868 HydrophobicContact CD2-CB 4.25Å; F707-L868 HydrophobicContact CD2-CD2 3.73Å; F707-L868 HydrophobicContact CD2-CG 4.16Å; F707-L868 HydrophobicContact CE2-CB 4.4Å; F707-L868 HydrophobicContact CE2-CD2 4.2Å; F707-L868 HydrophobicContact CE2-CG 4.21Å; F707-L868 HydrophobicContact CG-CD2 3.91Å; F707-A869 HydrophobicContact CE2-CB 4.1Å; F707-I872 HydrophobicContact CZ-CD1 4.09Å
708	T	92	Very high	87.3	Confident	19 Å²	19	35.1 Å²	35.1	12%	0.117	20%	0.199	C	C	.	.			trans	-76	164.5	165.3	69.4	0	0	0	0	110.6	G706 Q710 V711 L712 D744 I747	G706-T708 PolarHBondContact O-N 3.19Å; G706-T708 VanDerWaalsContact O-N 3.1Å; T708-Q710 PolarHBondContact O-N 2.92Å; T708-Q710 PolarHBondContact OG1-N 3.43Å; T708-V711 PolarHBondContact O-N 2.97Å; T708-V711 WeakPolarHBondContact OG1-CG2 3.34Å; T708-V711 PolarHBondContact OG1-N 3.19Å; T708-L712 WeakPolarHBondContact O-CG 3.4Å; T708-L712 PolarHBondContact O-N 3.16Å; T708-D744 HydrophobicContact CG2-CB 3.86Å; T708-D744 WeakPolarHBondContact CG2-OD2 3.37Å; T708-I747 HydrophobicContact CG2-CD1 4.29Å
709	I	92.1	Very high	88.1	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.062	20%	0.195	C	C	.	.	H	α-helix	trans	-45.6	-48.3	170.5	-63.2	176	0	0	0	110.6	V711 L712 E713 I747 R838 L839 A842	I709-V711 PolarHBondContact O-N 3.11Å; I709-L712 WeakPolarHBondContact O-CB 3.48Å; I709-L712 PolarHBondContact O-N 3.07Å; I709-E713 HydrophobicContact CG2-CG 4.35Å; I709-E713 VanDerWaalsContact CG2-OE1 3.31Å; I709-E713 WeakPolarHBondContact CG2-OE1 3.16Å; I709-E713 WeakPolarHBondContact O-CG 3.41Å; I709-E713 PolarHBondContact O-N 3.31Å; I709-I747 HydrophobicContact CD1-CG2 3.9Å; I709-I747 HydrophobicContact CG1-CD1 4.16Å; I709-I747 HydrophobicContact CG1-CG2 4.4Å; I709-R838 HydrophobicContact CD1-CB 4.11Å; I709-L839 HydrophobicContact CD1-CB 4.2Å; I709-L839 HydrophobicContact CG1-CB 4Å; I709-L839 HydrophobicContact CG1-CD1 3.76Å; I709-L839 HydrophobicContact CG1-CG 4.47Å; I709-A842 HydrophobicContact CG2-CB 4.13Å
710	Q	91.7	Very high	89.2	Confident	68 Å²	68	33.9 Å²	33.9	32%	0.318	19%	0.186	S	C	.	.	H	α-helix	trans	-66.6	-36.1	-178.7	-167.1	-167.7	-20.4	0	0	113.2	K679 S680 T708 L712 E713 E714	K679-Q710 VanDerWaalsContact CB-NE2 3.3Å; S680-Q710 PolarHBondContact OG-NE2 2.87Å; T708-Q710 PolarHBondContact O-N 2.92Å; T708-Q710 PolarHBondContact OG1-N 3.43Å; Q710-L712 VanDerWaalsContact C-N 3.33Å; Q710-E713 PolarHBondContact O-N 3.42Å; Q710-E714 HydrophobicContact CG-CG 4.33Å; Q710-E714 PolarHBondContact NE2-OE1 2.96Å; Q710-E714 VanDerWaalsContact O-CB 3.31Å; Q710-E714 WeakPolarHBondContact O-CB 3.39Å; Q710-E714 VanDerWaalsContact O-CG 3.24Å; Q710-E714 WeakPolarHBondContact O-CG 3.43Å; Q710-E714 PolarHBondContact O-N 3.17Å
711	V	93.8	Very high	90.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-39.5	174.9	172.7	0	0	0	0	110.4	I681 F707 T708 I709 L715	I681-V711 HydrophobicContact CG2-CG1 4.13Å; F707-V711 HydrophobicContact CD1-CG1 3.84Å; F707-V711 HydrophobicContact CE1-CG1 4.47Å; T708-V711 PolarHBondContact O-N 2.97Å; T708-V711 WeakPolarHBondContact OG1-CG2 3.34Å; T708-V711 PolarHBondContact OG1-N 3.19Å; I709-V711 PolarHBondContact O-N 3.11Å; V711-L715 HydrophobicContact CG1-CD1 3.82Å; V711-L715 HydrophobicContact CG1-CG 4.34Å; V711-L715 VanDerWaalsContact O-CB 3.29Å; V711-L715 WeakPolarHBondContact O-CB 2.95Å; V711-L715 WeakPolarHBondContact O-CG 3.45Å; V711-L715 PolarHBondContact O-N 3.04Å
712	L	95.1	Very high	91.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-43.7	176.9	-63.8	164.7	0	0	0	111.6	F707 T708 I709 Q710 T716 L839 A842 L843 F846 L868	F707-L712 HydrophobicContact CB-CD2 4.17Å; F707-L712 HydrophobicContact CB-CG 4.28Å; F707-L712 HydrophobicContact CD1-CD2 4.12Å; F707-L712 HydrophobicContact CG-CD2 4.4Å; T708-L712 WeakPolarHBondContact O-CG 3.4Å; T708-L712 PolarHBondContact O-N 3.16Å; I709-L712 WeakPolarHBondContact O-CB 3.48Å; I709-L712 PolarHBondContact O-N 3.07Å; Q710-L712 VanDerWaalsContact C-N 3.33Å; L712-T716 WeakPolarHBondContact O-CB 3.32Å; L712-T716 PolarHBondContact O-N 2.93Å; L712-T716 PolarHBondContact O-OG1 3.3Å; L712-L839 HydrophobicContact CD1-CD1 3.96Å; L712-A842 HydrophobicContact CB-CB 4.08Å; L712-A842 HydrophobicContact CD1-CB 4.38Å; L712-L843 HydrophobicContact CD1-CB 4.3Å; L712-F846 HydrophobicContact CB-CB 4.33Å; L712-F846 HydrophobicContact CD2-CB 4.06Å; L712-F846 HydrophobicContact CD2-CD1 3.49Å; L712-F846 VanDerWaalsContact CD2-CD1 3.49Å; L712-F846 HydrophobicContact CD2-CE1 4.14Å; L712-F846 HydrophobicContact CD2-CG 3.88Å; L712-L868 HydrophobicContact CD2-CD2 4.14Å
713	E	94.6	Very high	92.5	Very high	80 Å²	80	32 Å²	32	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-60.5	-50.8	173.3	-71.4	168.1	171.6	0	0	111.6	I709 Q710 L715 T716 I717 A842	I709-E713 HydrophobicContact CG2-CG 4.35Å; I709-E713 VanDerWaalsContact CG2-OE1 3.31Å; I709-E713 WeakPolarHBondContact CG2-OE1 3.16Å; I709-E713 WeakPolarHBondContact O-CG 3.41Å; I709-E713 PolarHBondContact O-N 3.31Å; Q710-E713 PolarHBondContact O-N 3.42Å; E713-L715 PolarHBondContact O-N 3.05Å; E713-T716 WeakPolarHBondContact O-CB 3.29Å; E713-T716 PolarHBondContact O-N 3.45Å; E713-I717 WeakPolarHBondContact O-CG1 3.37Å; E713-I717 PolarHBondContact O-N 3.25Å; E713-A842 HydrophobicContact CG-CB 4.38Å
714	E	94.5	Very high	92.8	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-40.9	179.3	-71.4	-179.2	173.8	0	0	111.8	F678 K679 S680 I681 Q710 I717 V718	F678-E714 HydrophobicContact CB-CB 4.46Å; F678-E714 HydrophobicContact CB-CG 4.22Å; F678-E714 WeakPolarHBondContact CB-OE2 3.42Å; F678-E714 HydrophobicContact CD1-CB 4.05Å; F678-E714 HydrophobicContact CD1-CG 3.91Å; F678-E714 HydrophobicContact CG-CB 4.45Å; F678-E714 HydrophobicContact CG-CG 4.44Å; K679-E714 WeakPolarHBondContact CB-OE1 3.33Å; K679-E714 PolarHBondContact N-OE1 2.89Å; K679-E714 VanDerWaalsContact N-OE1 3.16Å; S680-E714 WeakPolarHBondContact CA-OE2 3.34Å; S680-E714 WeakPolarHBondContact CB-OE2 3.35Å; S680-E714 PolarHBondContact N-OE2 2.8Å; I681-E714 HydrophobicContact CD1-CB 3.73Å; I681-E714 HydrophobicContact CG1-CB 3.97Å; I681-E714 PolarHBondContact N-OE2 2.74Å; Q710-E714 HydrophobicContact CG-CG 4.33Å; Q710-E714 PolarHBondContact NE2-OE1 2.96Å; Q710-E714 VanDerWaalsContact O-CB 3.31Å; Q710-E714 WeakPolarHBondContact O-CB 3.39Å; Q710-E714 VanDerWaalsContact O-CG 3.24Å; Q710-E714 WeakPolarHBondContact O-CG 3.43Å; Q710-E714 PolarHBondContact O-N 3.17Å; E714-I717 PolarHBondContact O-N 3.21Å; E714-V718 VanDerWaalsContact O-CG2 3.28Å; E714-V718 WeakPolarHBondContact O-CG2 3.32Å; E714-V718 PolarHBondContact O-N 3.41Å
715	L	95.7	Very high	92.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-39.5	174.5	-75.3	170.1	0	0	0	112.6	I681 V694 L696 F707 V711 E713 V718 L719 F846	I681-L715 HydrophobicContact CD1-CD2 3.93Å; I681-L715 HydrophobicContact CD1-CG 4.17Å; I681-L715 HydrophobicContact CG2-CD2 4.25Å; I681-L715 HydrophobicContact CG2-CG 4.3Å; V694-L715 HydrophobicContact CG1-CD2 3.84Å; L696-L715 HydrophobicContact CD2-CD1 4.08Å; L696-L715 HydrophobicContact CD2-CD2 4.12Å; F707-L715 HydrophobicContact CD1-CD1 4.09Å; F707-L715 HydrophobicContact CE1-CD1 3.77Å; V711-L715 HydrophobicContact CG1-CD1 3.82Å; V711-L715 HydrophobicContact CG1-CG 4.34Å; V711-L715 VanDerWaalsContact O-CB 3.29Å; V711-L715 WeakPolarHBondContact O-CB 2.95Å; V711-L715 WeakPolarHBondContact O-CG 3.45Å; V711-L715 PolarHBondContact O-N 3.04Å; E713-L715 PolarHBondContact O-N 3.05Å; L715-V718 PolarHBondContact O-N 3.33Å; L715-L719 WeakPolarHBondContact O-CG 3.18Å; L715-L719 PolarHBondContact O-N 2.75Å; L715-F846 HydrophobicContact CB-CD2 3.77Å; L715-F846 HydrophobicContact CB-CE2 3.74Å; L715-F846 HydrophobicContact CD1-CD2 4.44Å; L715-F846 HydrophobicContact CD1-CE2 3.9Å; L715-F846 HydrophobicContact CD1-CZ 4.12Å; L715-F846 HydrophobicContact CG-CE2 4.38Å
716	T	96.3	Very high	92.7	Very high	20 Å²	20	41.2 Å²	41.2	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-44.7	176	-56.4	0	0	0	0	110.8	L712 E713 V718 L719 N720 F846 A849	L712-T716 WeakPolarHBondContact O-CB 3.32Å; L712-T716 PolarHBondContact O-N 2.93Å; L712-T716 PolarHBondContact O-OG1 3.3Å; E713-T716 WeakPolarHBondContact O-CB 3.29Å; E713-T716 PolarHBondContact O-N 3.45Å; T716-V718 VanDerWaalsContact C-N 3.3Å; T716-V718 PolarHBondContact O-N 3.38Å; T716-L719 PolarHBondContact O-N 2.68Å; T716-N720 WeakPolarHBondContact O-CB 3.49Å; T716-N720 VanDerWaalsContact O-CG 3.27Å; T716-N720 PolarHBondContact O-N 3.46Å; T716-F846 VanDerWaalsContact OG1-CA 3.27Å; T716-F846 WeakPolarHBondContact OG1-CA 3.25Å; T716-F846 WeakPolarHBondContact OG1-CB 3.49Å; T716-F846 PolarHBondContact OG1-N 3.03Å; T716-A849 HydrophobicContact CG2-CB 4.1Å
717	I	94.6	Very high	92.7	Very high	70 Å²	70	41.4 Å²	41.4	36%	0.359	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-39	175.2	-66.4	163.5	0	0	0	111.2	F678 E713 E714 R721	F678-I717 HydrophobicContact CE1-CB 4.4Å; F678-I717 HydrophobicContact CE1-CG2 3.91Å; F678-I717 HydrophobicContact CZ-CG2 4.2Å; E713-I717 WeakPolarHBondContact O-CG1 3.37Å; E713-I717 PolarHBondContact O-N 3.25Å; E714-I717 PolarHBondContact O-N 3.21Å; I717-R721 WeakPolarHBondContact O-CB 3.24Å; I717-R721 VanDerWaalsContact O-CG 3.29Å; I717-R721 WeakPolarHBondContact O-CG 3.31Å; I717-R721 PolarHBondContact O-N 3.01Å
718	V	94.2	Very high	92.7	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-44.4	178.1	168.9	0	0	0	0	112.4	F678 I681 V683 V694 E714 L715 T716 R721 A722 I730	F678-V718 HydrophobicContact CD2-CG2 4.06Å; F678-V718 HydrophobicContact CE1-CG2 4.21Å; F678-V718 HydrophobicContact CE2-CG2 3.33Å; F678-V718 HydrophobicContact CZ-CG2 3.42Å; F678-V718 VanDerWaalsContact CZ-CG2 3.42Å; I681-V718 HydrophobicContact CD1-CB 4.48Å; I681-V718 HydrophobicContact CD1-CG2 3.69Å; V683-V718 HydrophobicContact CG1-CG1 4.45Å; V683-V718 HydrophobicContact CG2-CG1 4.29Å; V683-V718 HydrophobicContact CG2-CG2 3.71Å; V694-V718 HydrophobicContact CG2-CG1 3.73Å; E714-V718 VanDerWaalsContact O-CG2 3.28Å; E714-V718 WeakPolarHBondContact O-CG2 3.32Å; E714-V718 PolarHBondContact O-N 3.41Å; L715-V718 PolarHBondContact O-N 3.33Å; T716-V718 VanDerWaalsContact C-N 3.3Å; T716-V718 PolarHBondContact O-N 3.38Å; V718-R721 PolarHBondContact O-N 2.82Å; V718-A722 VanDerWaalsContact O-CB 3.24Å; V718-A722 WeakPolarHBondContact O-CB 3.35Å; V718-A722 PolarHBondContact O-N 3.27Å; V718-I730 HydrophobicContact CG1-CD1 4.06Å
719	L	95.4	Very high	92.9	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-50	175.5	-72	168.6	0	0	0	110.6	L715 T716 R721 A722 T723 I730 F846 A849 L850 F853	L715-L719 WeakPolarHBondContact O-CG 3.18Å; L715-L719 PolarHBondContact O-N 2.75Å; T716-L719 PolarHBondContact O-N 2.68Å; L719-R721 VanDerWaalsContact C-N 3.29Å; L719-R721 PolarHBondContact O-N 3.37Å; L719-A722 PolarHBondContact O-N 3.24Å; L719-A722 VanDerWaalsContact O-N 3.1Å; L719-T723 PolarHBondContact O-N 3.01Å; L719-T723 PolarHBondContact O-OG1 2.91Å; L719-I730 HydrophobicContact CD2-CD1 4.23Å; L719-F846 HydrophobicContact CD1-CD2 4.15Å; L719-F846 HydrophobicContact CD1-CE2 4.05Å; L719-A849 HydrophobicContact CB-CB 4.44Å; L719-A849 HydrophobicContact CD1-CB 4.04Å; L719-L850 HydrophobicContact CD1-CB 4.18Å; L719-L850 HydrophobicContact CD1-CD1 4.44Å; L719-F853 HydrophobicContact CB-CD2 4.24Å; L719-F853 HydrophobicContact CD2-CB 4.41Å; L719-F853 HydrophobicContact CD2-CD1 4.33Å; L719-F853 HydrophobicContact CD2-CD2 3.91Å; L719-F853 HydrophobicContact CD2-CE2 4.23Å; L719-F853 HydrophobicContact CD2-CG 3.97Å; L719-F853 WeakPolarHBondContact O-CE2 3.49Å
720	N	94.3	Very high	93.1	Very high	83 Å²	83	44.2 Å²	44.2	44%	0.444	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-36.3	-179.8	-69.1	-9.3	0	0	0	112.6	T716 Y724	T716-N720 WeakPolarHBondContact O-CB 3.49Å; T716-N720 VanDerWaalsContact O-CG 3.27Å; T716-N720 PolarHBondContact O-N 3.46Å; N720-Y724 VanDerWaalsContact O-CD2 3.29Å; N720-Y724 WeakPolarHBondContact O-CD2 3.45Å
721	R	91.7	Very high	93.3	Very high	140 Å²	140	41 Å²	41	53%	0.528	19%	0.194	S	C	.	.	H	α-helix	trans	-72.1	-41.6	172.7	-72.8	175.2	-179.3	179.2	2.8	112.6	I717 V718 L719 T723 Y724 D725	I717-R721 WeakPolarHBondContact O-CB 3.24Å; I717-R721 VanDerWaalsContact O-CG 3.29Å; I717-R721 WeakPolarHBondContact O-CG 3.31Å; I717-R721 PolarHBondContact O-N 3.01Å; V718-R721 PolarHBondContact O-N 2.82Å; L719-R721 VanDerWaalsContact C-N 3.29Å; L719-R721 PolarHBondContact O-N 3.37Å; R721-T723 PolarHBondContact O-N 2.71Å; R721-Y724 PolarHBondContact O-N 3Å; R721-D725 PolarHBondContact O-N 3.43Å; R721-D725 VanDerWaalsContact O-N 3.13Å
722	A	91.8	Very high	93.4	Very high	7 Å²	7	41.3 Å²	41.3	6%	0.058	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-24.4	-178.7	0	0	0	0	0	113.3	V718 L719 Y724 D725 I730 F853 K855	V718-A722 VanDerWaalsContact O-CB 3.24Å; V718-A722 WeakPolarHBondContact O-CB 3.35Å; V718-A722 PolarHBondContact O-N 3.27Å; L719-A722 PolarHBondContact O-N 3.24Å; L719-A722 VanDerWaalsContact O-N 3.1Å; A722-Y724 VanDerWaalsContact C-N 3.31Å; A722-Y724 PolarHBondContact O-N 3.05Å; A722-D725 PolarHBondContact O-N 2.81Å; A722-I730 HydrophobicContact CB-CD1 4.03Å; A722-F853 HydrophobicContact CB-CE2 3.77Å; A722-F853 HydrophobicContact CB-CZ 3.87Å; A722-K855 PolarHBondContact O-NZ 2.91Å
723	T	91.5	Very high	93.5	Very high	21 Å²	21	41.3 Å²	41.3	13%	0.129	20%	0.196	C	C	.	.	H	α-helix	trans	-54.6	-47.1	171.1	-64.8	0	0	0	0	111.2	P633 L719 R721 F853 P854 K855	P633-T723 HydrophobicContact CG-CG2 4.16Å; L719-T723 PolarHBondContact O-N 3.01Å; L719-T723 PolarHBondContact O-OG1 2.91Å; R721-T723 PolarHBondContact O-N 2.71Å; T723-F853 WeakPolarHBondContact OG1-CD2 3.33Å; T723-P854 HydrophobicContact CG2-CG 4.01Å; T723-K855 VanDerWaalsContact O-CE 3.26Å; T723-K855 WeakPolarHBondContact O-CE 3.48Å; T723-K855 PolarHBondContact O-NZ 2.71Å
724	Y	88.1	Confident	93.4	Very high	166 Å²	166	37.6 Å²	37.6	65%	0.651	18%	0.179	S	C	*	.	H	α-helix	trans	-94.6	-5.4	-177.2	-52.5	-69.8	0	0	0	114.1	N720 R721 A722	N720-Y724 VanDerWaalsContact O-CD2 3.29Å; N720-Y724 WeakPolarHBondContact O-CD2 3.45Å; R721-Y724 PolarHBondContact O-N 3Å; A722-Y724 VanDerWaalsContact C-N 3.31Å; A722-Y724 PolarHBondContact O-N 3.05Å
725	D	86.7	Confident	93.3	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	19%	0.186	C	C	.	.	S	Bend	trans	-72.7	160.5	179.7	-174.5	50.4	0	0	0	113.5	K685 R721 A722 S727 K855	K685-D725 WeakPolarHBondContact CE-OD1 3.27Å; K685-D725 WeakPolarHBondContact CE-OD2 3.45Å; K685-D725 IonicContact NZ-OD1 2.73Å; K685-D725 PolarHBondContact NZ-OD1 3.41Å; K685-D725 IonicContact NZ-OD2 3.73Å; R721-D725 PolarHBondContact O-N 3.43Å; R721-D725 VanDerWaalsContact O-N 3.13Å; A722-D725 PolarHBondContact O-N 2.81Å; D725-S727 PolarHBondContact O-N 3.01Å; D725-S727 VanDerWaalsContact O-N 3.13Å; D725-S727 WeakPolarHBondContact OD2-CB 3.29Å; D725-S727 PolarHBondContact OD2-N 2.97Å; D725-S727 PolarHBondContact OD2-OG 3.1Å; D725-K855 PolarHBondContact O-NZ 3.01Å
726	T	88.9	Confident	92.9	Very high	108 Å²	108	41.8 Å²	41.8	66%	0.663	22%	0.22	S	C	*	.	S	Bend	trans	-69	-2.5	173.2	65.4	0	0	0	0	114.2	K685	K685-T726 WeakPolarHBondContact CE-OG1 3.43Å; K685-T726 PolarHBondContact NZ-OG1 2.53Å
727	S	91.4	Very high	92.6	Very high	4 Å²	4	46 Å²	46	3%	0.028	25%	0.246	C	C	.	.			trans	-69.6	132.6	173.1	-65.4	0	0	0	0	111.5	T692 D725 K855	T692-S727 PolarHBondContact N-OG 2.9Å; T692-S727 PolarHBondContact OG1-OG 3.07Å; D725-S727 PolarHBondContact O-N 3.01Å; D725-S727 VanDerWaalsContact O-N 3.13Å; D725-S727 WeakPolarHBondContact OD2-CB 3.29Å; D725-S727 PolarHBondContact OD2-N 2.97Å; D725-S727 PolarHBondContact OD2-OG 3.1Å; S727-K855 WeakPolarHBondContact O-CD 3.32Å; S727-K855 WeakPolarHBondContact O-CE 3.5Å; S727-K855 PolarHBondContact O-NZ 3.19Å
728	R	92.9	Very high	92.5	Very high	91 Å²	91	42.7 Å²	42.7	34%	0.343	23%	0.229	S	C	.	.	S	Bend	trans	-82.4	-20.4	178.1	-60.6	176.7	170.9	-172.4	-3.6	113.6	G690 A957 E958 N959 C961	G690-R728 PolarHBondContact O-N 3.46Å; R728-A957 WeakPolarHBondContact CD-O 3.45Å; R728-A957 PolarHBondContact NH1-O 3.36Å; R728-E958 PolarHBondContact NH1-O 3.37Å; R728-N959 PolarHBondContact NH1-O 3.22Å; R728-C961 HydrophobicContact CG-CB 4.24Å
729	L	95	Very high	92.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	167.6	176.4	65.3	90.6	0	0	0	110.5	F691 T692 P856 V858 C953 L956 A957	F691-L729 WeakPolarHBondContact CA-O 3.17Å; F691-L729 HydrophobicContact CB-CD1 3.52Å; F691-L729 HydrophobicContact CB-CG 3.68Å; F691-L729 WeakPolarHBondContact CB-O 3.42Å; F691-L729 HydrophobicContact CD2-CD1 4.04Å; F691-L729 HydrophobicContact CG-CD1 3.98Å; T692-L729 PolarHBondContact N-O 2.71Å; L729-P856 WeakPolarHBondContact CA-O 3.39Å; L729-P856 HydrophobicContact CB-CB 4.05Å; L729-P856 HydrophobicContact CB-CG 4.48Å; L729-P856 WeakPolarHBondContact CB-O 3.26Å; L729-V858 HydrophobicContact CD1-CG2 4.19Å; L729-C953 HydrophobicContact CD1-CB 4.41Å; L729-L956 HydrophobicContact CD2-CB 3.75Å; L729-L956 HydrophobicContact CD2-CD2 3.89Å; L729-L956 HydrophobicContact CD2-CG 3.64Å; L729-A957 HydrophobicContact CD2-CB 3.88Å; L729-A957 HydrophobicContact CG-CB 4.38Å
730	I	96.3	Very high	92.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.9	173.1	-160.9	171.1	0	0	0	110.6	T692 V694 V718 L719 A722 F853 P856 V857 V858	T692-I730 HydrophobicContact CG2-CG1 4.28Å; V694-I730 HydrophobicContact CG2-CD1 3.73Å; V694-I730 HydrophobicContact CG2-CG1 3.86Å; V718-I730 HydrophobicContact CG1-CD1 4.06Å; L719-I730 HydrophobicContact CD2-CD1 4.23Å; A722-I730 HydrophobicContact CB-CD1 4.03Å; I730-F853 HydrophobicContact CB-CE1 4.16Å; I730-F853 HydrophobicContact CB-CZ 4.19Å; I730-F853 HydrophobicContact CG2-CD1 4.3Å; I730-F853 HydrophobicContact CG2-CE1 3.51Å; I730-F853 HydrophobicContact CG2-CZ 3.97Å; I730-P856 PolarHBondContact N-O 2.88Å; I730-V857 HydrophobicContact CG2-CB 4.13Å; I730-V857 HydrophobicContact CG2-CG1 4.09Å; I730-V857 HydrophobicContact CG2-CG2 3.8Å; I730-V858 PolarHBondContact O-N 3.27Å
731	M	96.4	Very high	92.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.9	175.9	-177.5	-155.9	80.4	0	0	109.5	F691 T692 E693 V694 W695 V858 L949 L950	F691-M731 HydrophobicContact CD2-CB 4.03Å; F691-M731 HydrophobicContact CE2-CB 4.09Å; F691-M731 HydrophobicContact CE2-SD 4.14Å; T692-M731 PolarHBondContact O-N 3.35Å; E693-M731 HydrophobicContact CB-CE 3.93Å; E693-M731 HydrophobicContact CG-CE 3.79Å; E693-M731 HydrophobicContact CG-SD 4.42Å; V694-M731 PolarHBondContact N-O 3.44Å; W695-M731 HydrophobicContact CH2-CE 4.47Å; W695-M731 HydrophobicContact CZ2-CE 3.6Å; M731-V858 CarbonylContact C-O 3.48Å; M731-V858 VanDerWaalsContact CA-O 3.26Å; M731-V858 WeakPolarHBondContact CA-O 3.13Å; M731-L949 HydrophobicContact CE-CD2 4.46Å; M731-L949 HydrophobicContact CG-CD2 4.33Å; M731-L949 HydrophobicContact CG-CG 4.39Å; M731-L949 HydrophobicContact SD-CD2 3.76Å; M731-L949 HydrophobicContact SD-CG 3.8Å; M731-L950 HydrophobicContact CE-CD2 4.2Å; M731-L950 HydrophobicContact SD-CD2 3.78Å
732	I	96.9	Very high	92.5	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.056	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	178.1	-54.8	176.8	0	0	0	109.3	V694 V857 V858 V859 G860	V694-I732 HydrophobicContact CB-CG1 4.33Å; V694-I732 WeakPolarHBondContact O-CA 3.2Å; I732-V857 HydrophobicContact CD1-CG1 3.92Å; I732-V857 HydrophobicContact CG1-CG1 4.43Å; I732-V858 PolarHBondContact N-O 3.24Å; I732-V859 CarbonylContact O-C 3.59Å; I732-V859 WeakPolarHBondContact O-CA 3.5Å; I732-G860 PolarHBondContact O-N 3Å
733	S	96.2	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.8	179.2	-174.8	0	0	0	0	111.9	V694 W695 L696 G860	V694-S733 PolarHBondContact O-N 3.45Å; W695-S733 CarbonylContact C-O 3.54Å; W695-S733 VanDerWaalsContact CA-O 3.31Å; W695-S733 WeakPolarHBondContact CA-O 3.48Å; W695-S733 WeakPolarHBondContact CZ3-OG 3.14Å; L696-S733 PolarHBondContact N-O 2.97Å; S733-G860 WeakPolarHBondContact CA-O 3.1Å; S733-G860 PolarHBondContact OG-O 3.22Å
734	G	93.2	Very high	92.5	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	151.7	171.9	0	0	0	0	0	112.8	W695 N862	W695-G734 WeakPolarHBondContact CZ3-O 3.04Å; G734-N862 WeakPolarHBondContact CA-OD1 3.35Å; G734-N862 PolarHBondContact N-OD1 2.9Å
735	T	91.1	Very high	92.4	Very high	37 Å²	37	24 Å²	24	23%	0.227	15%	0.149	C	C	.	.	S	Bend	trans	-93.1	155.3	164.5	62.8	0	0	0	0	111.3	W695 L696 Q697 N705	W695-T735 HydrophobicContact CB-CG2 3.91Å; W695-T735 HydrophobicContact CE3-CG2 4.1Å; L696-T735 WeakPolarHBondContact O-CB 3.5Å; L696-T735 WeakPolarHBondContact O-CG2 3.14Å; L696-T735 PolarHBondContact O-N 2.99Å; L696-T735 PolarHBondContact O-OG1 3.47Å; Q697-T735 HydrophobicContact CB-CG2 4.16Å; Q697-T735 WeakPolarHBondContact CB-OG1 3.39Å; N705-T735 PolarHBondContact ND2-N 3.21Å; N705-T735 PolarHBondContact ND2-O 3.46Å
736	G	89.1	Confident	92.2	Very high	72 Å²	72	23.6 Å²	23.6	74%	0.742	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	-147.6	-179.8	0	0	0	0	0	114	N862	G736-N862 PolarHBondContact O-ND2 2.96Å
737	T	89.7	Confident	91.9	Very high	108 Å²	108	20.4 Å²	20.4	66%	0.663	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.7	-173.9	53.1	0	0	0	0	114.4	P864	T737-P864 WeakPolarHBondContact O-CD 3.36Å
738	V	92.5	Very high	91.4	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	13%	0.126	C	C	.	.			trans	-123	147.2	-173.4	173.2	0	0	0	0	109	K704 N705 N862 P864 V1015	K704-V738 HydrophobicContact CB-CB 4.01Å; K704-V738 HydrophobicContact CB-CG1 4.14Å; K704-V738 HydrophobicContact CB-CG2 4.21Å; K704-V738 HydrophobicContact CD-CB 4.49Å; K704-V738 HydrophobicContact CD-CG2 3.82Å; N705-V738 PolarHBondContact ND2-O 2.87Å; N705-V738 VanDerWaalsContact ND2-O 3.14Å; V738-N862 PolarHBondContact O-ND2 3.2Å; V738-N862 PolarHBondContact O-OD1 2.96Å; V738-P864 HydrophobicContact CG1-CB 4.47Å; V738-P864 WeakPolarHBondContact CG1-O 3.34Å; V738-P864 HydrophobicContact CG2-CB 4.48Å; V738-P864 HydrophobicContact CG2-CG 4.32Å; V738-V1015 HydrophobicContact CG2-CG1 4.14Å; V738-V1015 WeakPolarHBondContact CG2-O 3.1Å
739	F	95.4	Very high	90.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-77.2	-65.1	172.2	174.5	-110.7	0	0	0	109.5	N705 V859 G860 V861 N862 P864 A865 A869	N705-F739 VanDerWaalsContact CB-O 3.3Å; N705-F739 WeakPolarHBondContact CB-O 3.37Å; N705-F739 PolarHBondContact ND2-O 3.5Å; N705-F739 VanDerWaalsContact ND2-O 3.08Å; F739-V859 HydrophobicContact CE1-CG1 4.4Å; F739-V859 HydrophobicContact CE2-CG1 3.7Å; F739-V859 HydrophobicContact CZ-CG1 3.49Å; F739-V859 VanDerWaalsContact CZ-CG1 3.49Å; F739-G860 WeakPolarHBondContact CD2-O 3.45Å; F739-V861 HydrophobicContact CB-CG1 3.78Å; F739-V861 HydrophobicContact CD1-CG1 4.27Å; F739-V861 HydrophobicContact CD1-CG2 4.34Å; F739-V861 HydrophobicContact CD2-CB 4.44Å; F739-V861 HydrophobicContact CD2-CG2 4.39Å; F739-V861 HydrophobicContact CE1-CG2 4.44Å; F739-V861 HydrophobicContact CE2-CG2 4.48Å; F739-V861 HydrophobicContact CG-CB 4.33Å; F739-V861 HydrophobicContact CG-CG1 3.95Å; F739-V861 HydrophobicContact CG-CG2 4.33Å; F739-N862 VanDerWaalsContact CA-OD1 3.29Å; F739-N862 WeakPolarHBondContact CA-OD1 3.14Å; F739-P864 WeakPolarHBondContact CB-O 3.44Å; F739-P864 PolarHBondContact N-O 3.44Å; F739-A865 HydrophobicContact CB-CB 4.39Å; F739-A865 HydrophobicContact CD1-CB 3.88Å; F739-A869 HydrophobicContact CD1-CB 4.01Å; F739-A869 HydrophobicContact CE1-CB 4.09Å
740	S	94.8	Very high	89.1	Confident	0 Å²	0	18 Å²	18	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-159.8	139.4	168.5	168.5	0	0	0	0	111.4	N705 F707 G742 P864 A865 L866	N705-S740 WeakPolarHBondContact O-CB 3.26Å; N705-S740 PolarHBondContact O-OG 2.93Å; F707-S740 WeakPolarHBondContact CD2-OG 3.34Å; F707-S740 WeakPolarHBondContact CE2-OG 3.47Å; S740-G742 PolarHBondContact O-N 3.31Å; S740-G742 PolarHBondContact OG-N 3.08Å; S740-P864 PolarHBondContact N-O 3.5Å; S740-A865 WeakPolarHBondContact O-CA 3.16Å; S740-L866 PolarHBondContact O-N 3.28Å; S740-L866 VanDerWaalsContact O-N 3.07Å
741	S	92.8	Very high	87.1	Confident	5 Å²	5	22.7 Å²	22.7	4%	0.035	15%	0.153	C	C	.	.			trans	-74.9	8.2	173	-65.3	0	0	0	0	114.9	K704 L866 V1015	K704-S741 PolarHBondContact N-OG 3.12Å; K704-S741 PolarHBondContact O-N 2.82Å; K704-S741 VanDerWaalsContact O-N 3.11Å; K704-S741 PolarHBondContact O-OG 3.03Å; S741-L866 WeakPolarHBondContact O-CD2 3.43Å; S741-V1015 WeakPolarHBondContact OG-CG1 3.23Å
742	G	92.8	Very high	85	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.01	17%	0.168	C	C	.	.			trans	87.2	-160.3	-178.6	0	0	0	0	0	113	G706 F707 S740 L866	G706-G742 WeakPolarHBondContact CA-O 3.22Å; F707-G742 WeakPolarHBondContact CD2-O 3.45Å; F707-G742 PolarHBondContact N-O 2.92Å; S740-G742 PolarHBondContact O-N 3.31Å; S740-G742 PolarHBondContact OG-N 3.08Å; G742-L866 WeakPolarHBondContact CA-O 3.34Å; G742-L866 PolarHBondContact N-O 2.93Å
743	I	93	Very high	83.1	Confident	11 Å²	11	25.2 Å²	25.2	6%	0.056	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-66.7	139.3	177.2	-62.1	-172.9	0	0	0	110.2	L745 L839 L843 L868 E899 W994	I743-L745 HydrophobicContact CB-CD2 3.93Å; I743-L745 HydrophobicContact CG2-CD2 3.86Å; I743-L745 PolarHBondContact O-N 3.01Å; I743-L839 HydrophobicContact CG2-CD1 4.12Å; I743-L839 HydrophobicContact CG2-CD2 4Å; I743-L839 HydrophobicContact CG2-CG 4.5Å; I743-L843 HydrophobicContact CD1-CD1 4.16Å; I743-L843 HydrophobicContact CD1-CD2 3.87Å; I743-L868 HydrophobicContact CD1-CD2 4.12Å; I743-L868 HydrophobicContact CG1-CB 4.03Å; I743-L868 HydrophobicContact CG1-CD2 3.72Å; I743-E899 WeakPolarHBondContact CD1-OE2 3.42Å; I743-W994 HydrophobicContact CD1-CH2 4.17Å; I743-W994 HydrophobicContact CD1-CZ2 4.08Å
744	D	89.5	Confident	81	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	19%	0.191	C	C	.	.			trans	-76.7	85.6	174.1	-166.3	-14.4	0	0	0	111.2	S701 L703 F707 T708 T746 I747	S701-D744 VanDerWaalsContact CB-OD2 3.25Å; S701-D744 WeakPolarHBondContact CB-OD2 3.48Å; S701-D744 PolarHBondContact OG-OD2 3.28Å; L703-D744 HydrophobicContact CD1-CB 4.37Å; F707-D744 PolarHBondContact O-N 3.19Å; T708-D744 HydrophobicContact CG2-CB 3.86Å; T708-D744 WeakPolarHBondContact CG2-OD2 3.37Å; D744-T746 PolarHBondContact O-N 2.9Å; D744-T746 VanDerWaalsContact O-N 3.13Å; D744-T746 VanDerWaalsContact OD1-CB 3.32Å; D744-T746 WeakPolarHBondContact OD1-CB 3.42Å; D744-T746 VanDerWaalsContact OD1-CG2 3.32Å; D744-T746 WeakPolarHBondContact OD1-CG2 3.35Å; D744-T746 PolarHBondContact OD1-N 3.35Å; D744-T746 PolarHBondContact OD1-OG1 2.89Å; D744-I747 HydrophobicContact CB-CD1 4.26Å; D744-I747 WeakPolarHBondContact O-CB 3.4Å; D744-I747 WeakPolarHBondContact O-CG1 3.32Å; D744-I747 PolarHBondContact O-N 3.04Å
745	L	85.9	Confident	78.8	Confident	13 Å²	13	34.3 Å²	34.3	7%	0.068	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.5	-178	-43.3	-178.5	0	0	0	113	I743 I747 I748 T749 L894 F999 A1003 I1007	I743-L745 HydrophobicContact CB-CD2 3.93Å; I743-L745 HydrophobicContact CG2-CD2 3.86Å; I743-L745 PolarHBondContact O-N 3.01Å; L745-I747 PolarHBondContact O-N 3.03Å; L745-I747 VanDerWaalsContact O-N 3.12Å; L745-I748 HydrophobicContact CD2-CD1 4.35Å; L745-I748 PolarHBondContact O-N 3.33Å; L745-T749 PolarHBondContact O-N 2.82Å; L745-T749 PolarHBondContact O-OG1 3.02Å; L745-L894 HydrophobicContact CD1-CD1 4.24Å; L745-L894 HydrophobicContact CD1-CD2 3.97Å; L745-F999 HydrophobicContact CD1-CZ 4.1Å; L745-F999 HydrophobicContact CD2-CZ 4.2Å; L745-A1003 HydrophobicContact CD1-CB 3.87Å; L745-I1007 HydrophobicContact CB-CD1 4.07Å
746	T	82.8	Confident	76.9	Confident	25 Å²	25	33.3 Å²	33.3	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-24	174.9	70.2	0	0	0	0	112.3	D744 I748 T749 G750 L753 I1007	D744-T746 PolarHBondContact O-N 2.9Å; D744-T746 VanDerWaalsContact O-N 3.13Å; D744-T746 VanDerWaalsContact OD1-CB 3.32Å; D744-T746 WeakPolarHBondContact OD1-CB 3.42Å; D744-T746 VanDerWaalsContact OD1-CG2 3.32Å; D744-T746 WeakPolarHBondContact OD1-CG2 3.35Å; D744-T746 PolarHBondContact OD1-N 3.35Å; D744-T746 PolarHBondContact OD1-OG1 2.89Å; T746-I748 VanDerWaalsContact C-N 3.28Å; T746-I748 PolarHBondContact O-N 3.32Å; T746-T749 WeakPolarHBondContact CA-OG1 3.49Å; T746-G750 PolarHBondContact O-N 3.47Å; T746-G750 VanDerWaalsContact O-N 3.14Å; T746-L753 HydrophobicContact CG2-CD1 4.08Å; T746-I1007 HydrophobicContact CG2-CD1 4.22Å
747	I	81.4	Confident	75.2	Confident	41 Å²	41	34.3 Å²	34.3	21%	0.21	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-29.1	174	-60	175.2	0	0	0	112.1	T708 I709 D744 L745 N835	T708-I747 HydrophobicContact CG2-CD1 4.29Å; I709-I747 HydrophobicContact CD1-CG2 3.9Å; I709-I747 HydrophobicContact CG1-CD1 4.16Å; I709-I747 HydrophobicContact CG1-CG2 4.4Å; D744-I747 HydrophobicContact CB-CD1 4.26Å; D744-I747 WeakPolarHBondContact O-CB 3.4Å; D744-I747 WeakPolarHBondContact O-CG1 3.32Å; D744-I747 PolarHBondContact O-N 3.04Å; L745-I747 PolarHBondContact O-N 3.03Å; L745-I747 VanDerWaalsContact O-N 3.12Å; I747-N835 HydrophobicContact CG2-CB 4.24Å
748	I	82.2	Confident	73.5	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-93.9	-41.8	-179.8	-51.2	167.2	0	0	0	110.8	L745 T746 G750 P831 V836 L839 W994 F999	L745-I748 HydrophobicContact CD2-CD1 4.35Å; L745-I748 PolarHBondContact O-N 3.33Å; T746-I748 VanDerWaalsContact C-N 3.28Å; T746-I748 PolarHBondContact O-N 3.32Å; I748-G750 VanDerWaalsContact C-N 3.27Å; I748-G750 PolarHBondContact O-N 3.13Å; I748-P831 HydrophobicContact CG2-CB 4.2Å; I748-V836 HydrophobicContact CG2-CG2 4.27Å; I748-L839 HydrophobicContact CD1-CD2 3.77Å; I748-L839 HydrophobicContact CG1-CD2 3.81Å; I748-W994 HydrophobicContact CD1-CB 4.22Å; I748-W994 HydrophobicContact CD1-CD2 3.75Å; I748-W994 HydrophobicContact CD1-CE3 4.22Å; I748-W994 HydrophobicContact CD1-CG 3.75Å; I748-W994 HydrophobicContact CG2-CB 4.45Å; I748-F999 HydrophobicContact CB-CE1 4.26Å; I748-F999 HydrophobicContact CD1-CE1 3.7Å; I748-F999 HydrophobicContact CD1-CZ 3.94Å; I748-F999 HydrophobicContact CG2-CD1 4.31Å; I748-F999 HydrophobicContact CG2-CE1 3.87Å
749	T	75.1	Confident	71	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.043	21%	0.209	C	C	.	.	H	α-helix	trans	-76.4	-12.5	-177.6	62.5	0	0	0	0	113.7	L745 T746 L753 A1003 M1004	L745-T749 PolarHBondContact O-N 2.82Å; L745-T749 PolarHBondContact O-OG1 3.02Å; T746-T749 WeakPolarHBondContact CA-OG1 3.49Å; T749-L753 WeakPolarHBondContact OG1-CD1 3.34Å; T749-A1003 HydrophobicContact CG2-CB 4.02Å; T749-M1004 HydrophobicContact CG2-CG 3.57Å
750	G	65	Low	68.6	Low	32 Å²	32	43.5 Å²	43.5	33%	0.33	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-171.7	171.9	0	0	0	0	0	115.3	T746 I748 L752 L753	T746-G750 PolarHBondContact O-N 3.47Å; T746-G750 VanDerWaalsContact O-N 3.14Å; I748-G750 VanDerWaalsContact C-N 3.27Å; I748-G750 PolarHBondContact O-N 3.13Å; G750-L752 PolarHBondContact O-N 3.17Å; G750-L753 PolarHBondContact O-N 3.42Å
751	D	53.9	Low	65.9	Low	100 Å²	100	48.2 Å²	48.2	54%	0.535	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-7.3	-174.1	-67.1	-72	0	0	0	114.6	L753 R754 S755	D751-L753 PolarHBondContact O-N 2.78Å; D751-R754 CarbonylContact O-C 3.43Å; D751-R754 WeakPolarHBondContact O-CA 3.44Å; D751-R754 WeakPolarHBondContact O-CB 3.38Å; D751-R754 PolarHBondContact O-N 3.31Å; D751-R754 WeakPolarHBondContact OD1-CD 3.27Å; D751-R754 IonicContact OD1-CZ 2.64Å; D751-R754 IonicContact OD1-NE 3.83Å; D751-R754 IonicContact OD1-NH1 3.35Å; D751-R754 PolarHBondContact OD1-NH1 3.12Å; D751-S755 PolarHBondContact O-N 3.31Å; D751-S755 PolarHBondContact O-OG 2.63Å
752	L	52.3	Low	63.3	Low	61 Å²	61	50.9 Å²	50.9	32%	0.319	29%	0.289	S	S	.	.	H	α-helix	trans	-56.3	-34.3	171.8	-69.2	167.8	0	0	0	113	G750 S755 A756 F827 M1004	G750-L752 PolarHBondContact O-N 3.17Å; L752-S755 PolarHBondContact O-OG 2.89Å; L752-A756 PolarHBondContact O-N 2.8Å; L752-F827 HydrophobicContact CD2-CD1 4.37Å; L752-M1004 HydrophobicContact CB-CE 3.76Å; L752-M1004 HydrophobicContact CD1-CE 4.16Å; L752-M1004 HydrophobicContact CD1-SD 4.32Å
753	L	56.5	Low	60.7	Low	3 Å²	3	52.7 Å²	52.7	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-79.4	-31	172.8	-68.7	-176.4	0	0	0	112.1	T746 T749 G750 D751 A756 F757 M1004 I1007 L1008	T746-L753 HydrophobicContact CG2-CD1 4.08Å; T749-L753 WeakPolarHBondContact OG1-CD1 3.34Å; G750-L753 PolarHBondContact O-N 3.42Å; D751-L753 PolarHBondContact O-N 2.78Å; L753-A756 PolarHBondContact O-N 2.89Å; L753-F757 HydrophobicContact CB-CD2 4.27Å; L753-F757 HydrophobicContact CB-CE2 4.21Å; L753-F757 WeakPolarHBondContact O-CB 3.44Å; L753-F757 WeakPolarHBondContact O-CD2 3.25Å; L753-F757 WeakPolarHBondContact O-CG 3.41Å; L753-F757 PolarHBondContact O-N 2.74Å; L753-M1004 HydrophobicContact CD1-CG 4.47Å; L753-M1004 HydrophobicContact CD2-CB 4.43Å; L753-M1004 HydrophobicContact CD2-CE 4.19Å; L753-M1004 HydrophobicContact CD2-CG 4.25Å; L753-M1004 HydrophobicContact CG-CG 4.33Å; L753-I1007 HydrophobicContact CD1-CB 4.21Å; L753-I1007 HydrophobicContact CD1-CD1 3.73Å; L753-I1007 HydrophobicContact CD1-CG2 3.89Å; L753-L1008 HydrophobicContact CD2-CD1 3.94Å; L753-L1008 HydrophobicContact CD2-CD2 3.92Å; L753-L1008 HydrophobicContact CD2-CG 3.83Å
754	R	51.8	Low	57.9	Low	136 Å²	136	57.2 Å²	57.2	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-43.1	174.4	-82.8	163.9	162.4	-177.4	-1.7	111.4	F702 D751 F757 I758	F702-R754 HydrophobicContact CE2-CG 3.92Å; F702-R754 HydrophobicContact CZ-CG 4.21Å; D751-R754 CarbonylContact O-C 3.43Å; D751-R754 WeakPolarHBondContact O-CA 3.44Å; D751-R754 WeakPolarHBondContact O-CB 3.38Å; D751-R754 PolarHBondContact O-N 3.31Å; D751-R754 WeakPolarHBondContact OD1-CD 3.27Å; D751-R754 IonicContact OD1-CZ 2.64Å; D751-R754 IonicContact OD1-NE 3.83Å; D751-R754 IonicContact OD1-NH1 3.35Å; D751-R754 PolarHBondContact OD1-NH1 3.12Å; R754-F757 PolarHBondContact O-N 3.38Å; R754-I758 HydrophobicContact CB-CD1 4.42Å; R754-I758 VanDerWaalsContact O-CB 3.25Å; R754-I758 WeakPolarHBondContact O-CB 3.21Å; R754-I758 WeakPolarHBondContact O-CD1 3.46Å; R754-I758 WeakPolarHBondContact O-CG1 3.42Å; R754-I758 PolarHBondContact O-N 2.73Å
755	S	47.5	Very low	55.3	Low	57 Å²	57	60.4 Å²	60.4	40%	0.399	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-43.1	174.6	55.6	0	0	0	0	111.6	D751 L752 I758 N759	D751-S755 PolarHBondContact O-N 3.31Å; D751-S755 PolarHBondContact O-OG 2.63Å; L752-S755 PolarHBondContact O-OG 2.89Å; S755-I758 PolarHBondContact O-N 2.67Å; S755-N759 PolarHBondContact O-N 3.35Å
756	A	50.9	Low	53.1	Low	17 Å²	17	65.4 Å²	65.4	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-42.3	175.5	0	0	0	0	0	113.5	L752 L753 P760	L752-A756 PolarHBondContact O-N 2.8Å; L753-A756 PolarHBondContact O-N 2.89Å; A756-P760 WeakPolarHBondContact O-CA 3.2Å
757	F	52.4	Low	50.7	Low	93 Å²	93	72 Å²	72	41%	0.408	39%	0.391	S	S	.	.	H	α-helix	trans	-76.9	-23.5	178.1	-74.2	-56.7	0	0	0	114	L753 R754 I1007 L1008	L753-F757 HydrophobicContact CB-CD2 4.27Å; L753-F757 HydrophobicContact CB-CE2 4.21Å; L753-F757 WeakPolarHBondContact O-CB 3.44Å; L753-F757 WeakPolarHBondContact O-CD2 3.25Å; L753-F757 WeakPolarHBondContact O-CG 3.41Å; L753-F757 PolarHBondContact O-N 2.74Å; R754-F757 PolarHBondContact O-N 3.38Å; F757-I1007 HydrophobicContact CE2-CG2 4.11Å; F757-I1007 HydrophobicContact CZ-CG2 3.97Å; F757-L1008 HydrophobicContact CZ-CD2 4.25Å
758	I	54	Low	48.5	Very low	117 Å²	117	73.8 Å²	73.8	60%	0.6	41%	0.407	S	S	*	.	H	α-helix	trans	-85.8	-44.3	176.8	-68.5	166.4	0	0	0	111.1	R754 S755	R754-I758 HydrophobicContact CB-CD1 4.42Å; R754-I758 VanDerWaalsContact O-CB 3.25Å; R754-I758 WeakPolarHBondContact O-CB 3.21Å; R754-I758 WeakPolarHBondContact O-CD1 3.46Å; R754-I758 WeakPolarHBondContact O-CG1 3.42Å; R754-I758 PolarHBondContact O-N 2.73Å; S755-I758 PolarHBondContact O-N 2.67Å
759	N	42	Very low	46.2	Very low	95 Å²	95	77.9 Å²	77.9	51%	0.508	44%	0.436	S	S	.	.			trans	-128.9	74.8	-175.1	-72.5	-34.6	0	0	0	111.1	S755 S761 S762	S755-N759 PolarHBondContact O-N 3.35Å; N759-S761 PolarHBondContact O-N 3.21Å; N759-S762 WeakPolarHBondContact O-CB 3.45Å; N759-S762 PolarHBondContact O-N 2.96Å; N759-S762 PolarHBondContact O-OG 2.67Å
760	P	44	Very low	44.3	Very low	90 Å²	90	82.7 Å²	82.7	58%	0.584	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-59.3	-31.4	-176.4	21.5	-33	0	0	0	113.9	A756 S762 C763	A756-P760 WeakPolarHBondContact O-CA 3.2Å; P760-S762 PolarHBondContact O-N 3.19Å; P760-S762 VanDerWaalsContact O-N 3.16Å; P760-C763 PolarHBondContact O-N 3.01Å; P760-C763 VanDerWaalsContact O-N 3.11Å
761	S	39	Very low	42.8	Very low	99 Å²	99	85.1 Å²	85.1	69%	0.692	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-67.9	-7.5	175.2	53.4	0	0	0	0	114.4	N759 C763	N759-S761 PolarHBondContact O-N 3.21Å; S761-C763 VanDerWaalsContact C-N 3.33Å
762	S	37.5	Very low	41.7	Very low	62 Å²	62	87.1 Å²	87.1	43%	0.434	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-82.6	-11.9	171.8	69	0	0	0	0	113.1	N759 P760 S765	N759-S762 WeakPolarHBondContact O-CB 3.45Å; N759-S762 PolarHBondContact O-N 2.96Å; N759-S762 PolarHBondContact O-OG 2.67Å; P760-S762 PolarHBondContact O-N 3.19Å; P760-S762 VanDerWaalsContact O-N 3.16Å; S762-S765 PolarHBondContact O-OG 3.01Å
763	C	37.6	Very low	40.6	Very low	39 Å²	39	89.2 Å²	89.2	26%	0.264	52%	0.519	S	S	.	.	S	Bend	trans	-97.5	-9.7	-173.3	-65.8	0	0	0	0	115.4	P760 S761 S765 F766	P760-C763 PolarHBondContact O-N 3.01Å; P760-C763 VanDerWaalsContact O-N 3.11Å; S761-C763 VanDerWaalsContact C-N 3.33Å; C763-S765 PolarHBondContact O-N 3Å; C763-S765 VanDerWaalsContact O-N 3.16Å; C763-F766 WeakPolarHBondContact O-CB 3.34Å; C763-F766 PolarHBondContact O-N 3.39Å
764	D	34.2	Very low	39.4	Very low	106 Å²	106	92.6 Å²	92.6	57%	0.567	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-61.8	-26.2	-177.6	-72.2	-54.1	0	0	0	113.1	F766 R767	D764-F766 PolarHBondContact O-N 3.37Å; D764-R767 PolarHBondContact O-N 2.57Å
765	S	35.8	Very low	38.5	Very low	71 Å²	71	93.7 Å²	93.7	50%	0.497	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-61	-20.5	172.5	56.2	0	0	0	0	114.6	S762 C763 S769	S762-S765 PolarHBondContact O-OG 3.01Å; C763-S765 PolarHBondContact O-N 3Å; C763-S765 VanDerWaalsContact O-N 3.16Å; S765-S769 PolarHBondContact O-OG 2.84Å
766	F	38.1	Very low	37.8	Very low	118 Å²	118	97.7 Å²	97.7	52%	0.518	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-76.6	-21.5	173.7	-76.5	-93.5	0	0	0	113	C763 D764 F827	C763-F766 WeakPolarHBondContact O-CB 3.34Å; C763-F766 PolarHBondContact O-N 3.39Å; D764-F766 PolarHBondContact O-N 3.37Å; F766-F827 HydrophobicContact CE1-CD2 4.38Å; F766-F827 HydrophobicContact CZ-CD1 4.22Å; F766-F827 HydrophobicContact CZ-CD2 4.2Å; F766-F827 HydrophobicContact CZ-CE1 4.24Å; F766-F827 HydrophobicContact CZ-CE2 4.23Å; F766-F827 HydrophobicContact CZ-CG 4.21Å; F766-F827 HydrophobicContact CZ-CZ 4.25Å
767	R	34.1	Very low	36.8	Very low	162 Å²	162	102 Å²	102	61%	0.611	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-29.3	-177.8	-78.7	-175.6	165.4	-162.7	-5.2	114.2	D764 S769	D764-R767 PolarHBondContact O-N 2.57Å; R767-S769 VanDerWaalsContact C-N 3.26Å; R767-S769 PolarHBondContact O-N 3.39Å
768	S	33.8	Very low	35.9	Very low	79 Å²	79	102.2 Å²	102.2	55%	0.552	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	0.2	-177.8	59.7	0	0	0	0	114.8
769	S	34.2	Very low	34.9	Very low	91 Å²	91	102.7 Å²	102.7	64%	0.636	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-2.6	-164.3	-62.4	0	0	0	0	114.9	S765 R767	S765-S769 PolarHBondContact O-OG 2.84Å; R767-S769 VanDerWaalsContact C-N 3.26Å; R767-S769 PolarHBondContact O-N 3.39Å
770	S	35.2	Very low	34.3	Very low	108 Å²	108	109 Å²	109	76%	0.755	66%	0.664	S	S	*	*	S	Bend	trans	-121.5	-2.3	-173.7	54.2	0	0	0	0	115.5
771	S	33.4	Very low	33.8	Very low	83 Å²	83	111.8 Å²	111.8	58%	0.58	67%	0.674	S	S	*	*	S	Bend	trans	-101.6	-23.5	-175.7	53.6	0	0	0	0	115.2	A773	S771-A773 PolarHBondContact O-N 3.36Å
772	N	30.5	Very low	33.5	Very low	143 Å²	143	111 Å²	111	77%	0.765	67%	0.669	S	S	*	*			trans	-103.7	50.4	-164.5	-66	21.3	0	0	0	112.8
773	A	31.1	Very low	33.4	Very low	104 Å²	104	114.7 Å²	114.7	86%	0.86	68%	0.683	S	S	*	*	S	Bend	trans	-102.7	6.4	179.8	0	0	0	0	0	114.3	S771	S771-A773 PolarHBondContact O-N 3.36Å
774	A	31.1	Very low	33.3	Very low	75 Å²	75	120.6 Å²	120.6	62%	0.62	71%	0.706	S	S	*	*	S	Bend	trans	-137.3	141.8	177.3	0	0	0	0	0	110.4
775	N	31.8	Very low	33.3	Very low	159 Å²	159	123.6 Å²	123.6	85%	0.85	72%	0.717	S	S	*	*			trans	62.3	123.4	-178.3	-49.1	-27	0	0	0	112.9
776	V	32.4	Very low	33.2	Very low	140 Å²	140	129.1 Å²	129.1	85%	0.848	73%	0.732	S	S	*	*				-159.3	147.2	50.3	161.8	0	0	0	0	109.5
777	S	30.7	Very low	33	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	75%	0.747	S	S	*	*			trans	-99.6	153.9	170.6	50.6	0	0	0	0	112.5
778	A	33	Very low	32.9	Very low	99 Å²	99	127 Å²	127	82%	0.818	75%	0.754	S	S	*	*			trans	59.1	112.1	163.2	0	0	0	0	0	119.9
779	S	33.4	Very low	32.8	Very low	126 Å²	126	128 Å²	128	88%	0.881	77%	0.767	S	S	*	*				-166.5	174.8	107.6	47.2	0	0	0	0	110.9
780	R	29.2	Very low	32.9	Very low	229 Å²	229	130.9 Å²	130.9	86%	0.864	78%	0.775	S	S	*	*			trans	-116.6	170.9	-171.8	-75	177.8	166.3	165.5	-5.7	112
781	N	33.7	Very low	32.7	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	78%	0.775	S	S	*	*			trans	95.8	146.3	161.9	-55.2	-12.6	0	0	0	115.2
782	S	33.4	Very low	32.6	Very low	83 Å²	83	132.3 Å²	132.3	58%	0.58	77%	0.774	S	S	*	*			cis	-177.4	171.5	-27	51.7	0	0	0	0	107.4
783	N	35.2	Very low	32.6	Very low	139 Å²	139	134.8 Å²	134.8	74%	0.743	78%	0.778	S	S	*	*			trans	73.8	148.7	170.1	-48.6	-24.2	0	0	0	115.3
784	H	35.2	Very low	32.6	Very low	162 Å²	162	134 Å²	134	75%	0.75	77%	0.767	S	S	*	*			cis	-163.2	176	-31.5	-127.1	-33.3	0	0	0	109.8
785	H	35.1	Very low	32.7	Very low	169 Å²	169	137.4 Å²	137.4	78%	0.782	77%	0.769	S	S	*	*			trans	66.9	117	174.8	-61.1	14.8	0	0	0	114.8
786	K	33.6	Very low	32.8	Very low	188 Å²	188	137.5 Å²	137.5	82%	0.817	76%	0.764	S	S	*	*			cis	88	136.7	17.7	-151.9	-165.6	-179.6	-175.1	0	115.2
787	I	32.8	Very low	32.9	Very low	162 Å²	162	134.7 Å²	134.7	83%	0.831	75%	0.751	S	S	*	*			trans	76.2	131	176.3	-44.9	178.5	0	0	0	112.8
788	G	33.1	Very low	33.1	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	75%	0.754	S	S	*	*			cis	-157	174.8	-1.7	0	0	0	0	0	111.7
789	A	30.4	Very low	33.1	Very low	100 Å²	100	139 Å²	139	83%	0.826	75%	0.752	S	S	*	*			trans	-126	153.8	178.6	0	0	0	0	0	109.5
790	D	36.3	Very low	33.2	Very low	151 Å²	151	138 Å²	138	81%	0.807	75%	0.751	S	S	*	*			trans	-151.2	164.5	152.6	-130.6	-31	0	0	0	115
791	N	32.1	Very low	33.3	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	74%	0.743	S	S	*	*			trans	-86	173.6	-172.4	-69.2	-78	0	0	0	111.9
792	S	30.5	Very low	33.2	Very low	81 Å²	81	133.1 Å²	133.1	57%	0.566	75%	0.751	S	S	*	*			cis	-176.3	161.2	-25.5	61.5	0	0	0	0	108.5
793	K	30.7	Very low	32.9	Very low	194 Å²	194	133.7 Å²	133.7	84%	0.843	76%	0.756	S	S	*	*			trans	66.7	154	157.5	-71.4	168.3	-177.8	174.7	0	116.3
794	S	30.3	Very low	32.7	Very low	88 Å²	88	137.1 Å²	137.1	62%	0.615	76%	0.764	S	S	*	*			cis	-161.8	179.2	-6.3	36.5	0	0	0	0	111.7
795	H	34.2	Very low	32.5	Very low	146 Å²	146	134.2 Å²	134.2	68%	0.676	76%	0.762	S	S	*	*			trans	93.7	125.4	157.2	-69.6	-68.6	0	0	0	121.2
796	H	34.7	Very low	32.2	Very low	162 Å²	162	134.7 Å²	134.7	75%	0.75	77%	0.765	S	S	*	*			trans	51.1	144.3	148.1	-63	-64.2	0	0	0	121.3
797	S	32.5	Very low	32.2	Very low	81 Å²	81	131.8 Å²	131.8	57%	0.566	77%	0.765	S	S	*	*			cis	176.5	149	-41	46.6	0	0	0	0	105.9
798	D	35.6	Very low	32	Very low	152 Å²	152	130.5 Å²	130.5	81%	0.813	76%	0.76	S	S	*	*				174.6	157.6	121.4	-83.8	-1.5	0	0	0	110.9
799	N	32.9	Very low	32	Very low	144 Å²	144	138.2 Å²	138.2	77%	0.77	77%	0.768	S	S	*	*			trans	-102.9	152.1	-161.3	-83.5	-38.6	0	0	0	114.3
800	A	36.3	Very low	31.9	Very low	104 Å²	104	139.8 Å²	139.8	86%	0.86	76%	0.762	S	S	*	*			trans	-149.6	118.3	140.2	0	0	0	0	0	109.3
801	N	31.1	Very low	31.7	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	76%	0.763	S	S	*	*			trans	-88.2	151.8	-171.9	-78.1	-40.1	0	0	0	113.6
802	C	31.5	Very low	31.6	Very low	142 Å²	142	139.1 Å²	139.1	96%	0.959	77%	0.768	S	S	*	*			trans	-148.1	106.3	136.5	-150	0	0	0	0	109.4
803	S	27.1	Very low	31.5	Very low	96 Å²	96	143.5 Å²	143.5	67%	0.671	78%	0.784	S	S	*	*			trans	-118.7	141.3	-171.5	51.7	0	0	0	0	111.3
804	F	30.4	Very low	31.3	Very low	210 Å²	210	142.1 Å²	142.1	92%	0.921	79%	0.786	S	S	*	*			trans	-142.9	149.8	156	-146.4	-94.1	0	0	0	110.9
805	S	30.8	Very low	31.3	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	78%	0.782	S	S	*	*			trans	-98.8	151.2	-154.6	-46.5	0	0	0	0	113.8
806	Q	29.4	Very low	31.1	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	79%	0.79	S	S	*	*			trans	-107.7	143.3	155.9	-64.5	-166.7	-81.6	0	0	109.4
807	P	34	Very low	31	Very low	127 Å²	127	137.8 Å²	137.8	83%	0.825	79%	0.79	S	S	*	*			trans	-77	132.8	164.6	31.6	-31.4	0	0	0	110
808	N	28	Very low	30.9	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	79%	0.79	S	S	*	*			trans	-78.1	151.3	168	-72.1	-19	0	0	0	110.3
809	Y	32.6	Very low	30.6	Very low	236 Å²	236	143 Å²	143	93%	0.925	79%	0.791	S	S	*	*			trans	-140	118.1	147.3	-114.2	-83.7	0	0	0	108.6
810	D	28.9	Very low	30.6	Very low	134 Å²	134	142.2 Å²	142.2	72%	0.717	79%	0.787	S	S	*	*			trans	-82.8	143.7	-179.6	-75.5	-68	0	0	0	111.7
811	S	32.9	Very low	30.4	Very low	116 Å²	116	140 Å²	140	81%	0.811	77%	0.768	S	S	*	*				-173.4	128.5	116.2	32.7	0	0	0	0	113.9
812	N	28.3	Very low	30.4	Very low	161 Å²	161	139.2 Å²	139.2	86%	0.861	76%	0.764	S	S	*	*			trans	-23.5	125.9	167	-58.3	-55.1	0	0	0	117.8
813	L	29.8	Very low	30.4	Very low	172 Å²	172	140.9 Å²	140.9	90%	0.901	75%	0.75	S	S	*	*			trans	-145.3	136.6	142.2	-112.9	173.1	0	0	0	111.1	S815	L813-S815 PolarHBondContact O-N 3.14Å
814	N	26.6	Very low	30.8	Very low	166 Å²	166	140.6 Å²	140.6	89%	0.888	74%	0.744	S	S	*	*			trans	-78.7	114.1	-171.2	-75.2	-50.6	0	0	0	112.6
815	S	30.1	Very low	31	Very low	77 Å²	77	138 Å²	138	54%	0.538	73%	0.734	S	S	.	*			trans	-152.2	131.6	151.1	63.6	0	0	0	0	112.2	L813 S817	L813-S815 PolarHBondContact O-N 3.14Å; S815-S817 VanDerWaalsContact C-N 3.28Å; S815-S817 PolarHBondContact O-N 3.18Å
816	S	29.9	Very low	31.2	Very low	120 Å²	120	137.2 Å²	137.2	84%	0.839	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	6.8	-174.1	37.3	0	0	0	0	114.6
817	S	31.8	Very low	31.6	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-16.4	-172.3	-57.3	0	0	0	0	115.7	S815 R819	S815-S817 VanDerWaalsContact C-N 3.28Å; S815-S817 PolarHBondContact O-N 3.18Å; S817-R819 VanDerWaalsContact C-N 3.34Å; S817-R819 PolarHBondContact O-N 3.03Å
818	H	31.7	Very low	32.3	Very low	123 Å²	123	131.3 Å²	131.3	57%	0.569	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-4.2	-171.8	-87.2	-73.7	0	0	0	116.3	N820 A821	H818-N820 VanDerWaalsContact C-N 3.29Å; H818-N820 PolarHBondContact O-N 3.22Å; H818-A821 PolarHBondContact O-N 2.99Å
819	R	29	Very low	33.3	Very low	221 Å²	221	129.7 Å²	129.7	83%	0.834	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-18.1	-171	-69.2	-171.9	178	-171	-0.4	115.6	S817	S817-R819 VanDerWaalsContact C-N 3.34Å; S817-R819 PolarHBondContact O-N 3.03Å
820	N	31.9	Very low	34.3	Very low	126 Å²	126	122.8 Å²	122.8	67%	0.674	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-32.6	177.5	-80	-7.7	0	0	0	113.9	H818 R823	H818-N820 VanDerWaalsContact C-N 3.29Å; H818-N820 PolarHBondContact O-N 3.22Å; N820-R823 WeakPolarHBondContact O-CB 3.47Å; N820-R823 PolarHBondContact O-N 3.48Å
821	A	31.6	Very low	35.7	Very low	57 Å²	57	117.2 Å²	117.2	47%	0.471	64%	0.644	S	S	.	*	H	α-helix	trans	-64.3	-46.6	-177.4	0	0	0	0	0	112.1	H818 R823 V824	H818-A821 PolarHBondContact O-N 2.99Å; A821-R823 PolarHBondContact O-N 3.28Å; A821-R823 VanDerWaalsContact O-N 3.09Å; A821-V824 PolarHBondContact O-N 3.29Å; A821-V824 VanDerWaalsContact O-N 3.16Å
822	N	31.8	Very low	37.2	Very low	118 Å²	118	116.2 Å²	116.2	63%	0.631	63%	0.63	S	S	*	*	H	α-helix	trans	-64.9	-18.8	-177.6	-65.9	8.5	0	0	0	113	S826	N822-S826 PolarHBondContact O-N 2.83Å; N822-S826 PolarHBondContact O-OG 3.15Å
823	R	32.3	Very low	39.2	Very low	176 Å²	176	113.3 Å²	113.3	66%	0.664	62%	0.619	S	S	*	*	H	α-helix	trans	-74.9	-24.5	179.1	-135	176.9	-167.6	176.7	3.3	113.3	N820 A821 S826 F827	N820-R823 WeakPolarHBondContact O-CB 3.47Å; N820-R823 PolarHBondContact O-N 3.48Å; A821-R823 PolarHBondContact O-N 3.28Å; A821-R823 VanDerWaalsContact O-N 3.09Å; R823-S826 PolarHBondContact O-OG 3.04Å; R823-F827 WeakPolarHBondContact O-CD2 3.45Å; R823-F827 VanDerWaalsContact O-CE2 3.24Å; R823-F827 WeakPolarHBondContact O-CE2 3.47Å
824	V	35	Very low	41.6	Very low	90 Å²	90	108.1 Å²	108.1	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-77.4	-40.9	175.4	-168.8	0	0	0	0	110.1	A821 S826 F827	A821-V824 PolarHBondContact O-N 3.29Å; A821-V824 VanDerWaalsContact O-N 3.16Å; V824-S826 VanDerWaalsContact C-N 3.32Å; V824-S826 PolarHBondContact O-N 3.32Å; V824-F827 PolarHBondContact O-N 2.89Å
825	H	35.2	Very low	44.4	Very low	155 Å²	155	102.6 Å²	102.6	72%	0.718	57%	0.568	S	S	*	*	H	α-helix	trans	-64.9	-32.3	179.6	-119.4	-84.4	0	0	0	113.3	F827 F828	H825-F827 PolarHBondContact O-N 2.8Å; H825-F828 PolarHBondContact O-N 3.09Å
826	S	35.3	Very low	47.2	Very low	86 Å²	86	99 Å²	99	60%	0.601	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.7	179.8	51.1	0	0	0	0	115.5	N822 R823 V824	N822-S826 PolarHBondContact O-N 2.83Å; N822-S826 PolarHBondContact O-OG 3.15Å; R823-S826 PolarHBondContact O-OG 3.04Å; V824-S826 VanDerWaalsContact C-N 3.32Å; V824-S826 PolarHBondContact O-N 3.32Å
827	F	37.7	Very low	50.1	Low	94 Å²	94	94.7 Å²	94.7	41%	0.412	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-13	176.7	-75.3	-72.9	0	0	0	113.8	L752 F766 R823 V824 H825 C829	L752-F827 HydrophobicContact CD2-CD1 4.37Å; F766-F827 HydrophobicContact CE1-CD2 4.38Å; F766-F827 HydrophobicContact CZ-CD1 4.22Å; F766-F827 HydrophobicContact CZ-CD2 4.2Å; F766-F827 HydrophobicContact CZ-CE1 4.24Å; F766-F827 HydrophobicContact CZ-CE2 4.23Å; F766-F827 HydrophobicContact CZ-CG 4.21Å; F766-F827 HydrophobicContact CZ-CZ 4.25Å; R823-F827 WeakPolarHBondContact O-CD2 3.45Å; R823-F827 VanDerWaalsContact O-CE2 3.24Å; R823-F827 WeakPolarHBondContact O-CE2 3.47Å; V824-F827 PolarHBondContact O-N 2.89Å; H825-F827 PolarHBondContact O-N 2.8Å; F827-C829 PolarHBondContact O-N 2.97Å
828	F	47.8	Very low	53	Low	87 Å²	87	95.8 Å²	95.8	38%	0.382	51%	0.505	S	S	.	.			trans	-80.4	65.5	175.2	-68.7	-70.5	0	0	0	112.1	H825 S830 C1001	H825-F828 PolarHBondContact O-N 3.09Å; F828-S830 PolarHBondContact O-N 3.06Å; F828-C1001 WeakPolarHBondContact CE1-SG 3.46Å; F828-C1001 VanDerWaalsContact CZ-SG 3.51Å
829	C	49.8	Very low	56	Low	102 Å²	102	90 Å²	90	69%	0.689	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-55.1	123.2	162.4	-167.9	0	0	0	0	108.4	F827	F827-C829 PolarHBondContact O-N 2.97Å
830	S	52.4	Low	59.1	Low	91 Å²	91	79.9 Å²	79.9	64%	0.636	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-57.4	135.9	177.9	-67.6	0	0	0	0	109.8	F828 N832	F828-S830 PolarHBondContact O-N 3.06Å; S830-N832 PolarHBondContact O-N 3.19Å
831	P	58	Low	62.1	Low	16 Å²	16	76.3 Å²	76.3	10%	0.104	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-61.7	129.9	-178.6	28	-33.3	0	0	0	107.3	I748 P833 V836 R1000	I748-P831 HydrophobicContact CG2-CB 4.2Å; P831-P833 VanDerWaalsContact O-CD 3.23Å; P831-P833 WeakPolarHBondContact O-CD 3.15Å; P831-V836 HydrophobicContact CB-CG2 3.9Å; P831-V836 HydrophobicContact CG-CG2 4.31Å; P831-R1000 VanDerWaalsContact CD-CZ 3.48Å
832	N	65.5	Low	65.2	Low	96 Å²	96	74 Å²	74	51%	0.513	41%	0.411	S	S	.	.			trans	-56.2	110.9	-175.9	-176.4	-30.8	0	0	0	108.5	S830 S834 N835 V836	S830-N832 PolarHBondContact O-N 3.19Å; N832-S834 PolarHBondContact O-N 3.19Å; N832-S834 VanDerWaalsContact O-N 3.09Å; N832-S834 PolarHBondContact OD1-N 3.44Å; N832-S834 PolarHBondContact OD1-OG 2.75Å; N832-N835 PolarHBondContact O-N 3.02Å; N832-V836 PolarHBondContact O-N 2.9Å
833	P	69.3	Low	68.3	Low	100 Å²	100	68.4 Å²	68.4	65%	0.649	38%	0.381	S	S	*	.	H	α-helix	trans	-65.6	-26.6	-161.7	23.1	-33.3	0	0	0	111.7	P831 N835 V836 G837	P831-P833 VanDerWaalsContact O-CD 3.23Å; P831-P833 WeakPolarHBondContact O-CD 3.15Å; P833-N835 VanDerWaalsContact C-N 3.33Å; P833-N835 PolarHBondContact O-N 2.97Å; P833-V836 PolarHBondContact O-N 3.13Å; P833-G837 PolarHBondContact O-N 3.25Å
834	S	80.6	Confident	71.4	Confident	62 Å²	62	65.2 Å²	65.2	43%	0.434	37%	0.369	S	S	.	.	H	α-helix	trans	-59.1	-39.1	172.8	70.5	0	0	0	0	112.9	N832 R838	N832-S834 PolarHBondContact O-N 3.19Å; N832-S834 VanDerWaalsContact O-N 3.09Å; N832-S834 PolarHBondContact OD1-N 3.44Å; N832-S834 PolarHBondContact OD1-OG 2.75Å; S834-R838 VanDerWaalsContact O-CB 3.27Å; S834-R838 WeakPolarHBondContact O-CB 3.42Å; S834-R838 WeakPolarHBondContact O-CG 3.32Å; S834-R838 PolarHBondContact O-N 2.95Å
835	N	85.8	Confident	74.4	Confident	51 Å²	51	63.7 Å²	63.7	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-73.6	-39.3	-179.8	-76.5	-18	0	0	0	111.8	I747 N832 P833 R838 L839	I747-N835 HydrophobicContact CG2-CB 4.24Å; N832-N835 PolarHBondContact O-N 3.02Å; P833-N835 VanDerWaalsContact C-N 3.33Å; P833-N835 PolarHBondContact O-N 2.97Å; N835-R838 PolarHBondContact O-N 3.41Å; N835-L839 VanDerWaalsContact O-CB 3.32Å; N835-L839 WeakPolarHBondContact O-CB 3.34Å; N835-L839 PolarHBondContact O-N 2.68Å
836	V	89.5	Confident	77.3	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-46.1	178.2	-166.7	0	0	0	0	110.4	I748 P831 N832 P833 L839 A840 L991 W994	I748-V836 HydrophobicContact CG2-CG2 4.27Å; P831-V836 HydrophobicContact CB-CG2 3.9Å; P831-V836 HydrophobicContact CG-CG2 4.31Å; N832-V836 PolarHBondContact O-N 2.9Å; P833-V836 PolarHBondContact O-N 3.13Å; V836-L839 PolarHBondContact O-N 3.49Å; V836-A840 PolarHBondContact O-N 3.44Å; V836-L991 HydrophobicContact CB-CD1 4.38Å; V836-L991 HydrophobicContact CG1-CD1 3.81Å; V836-W994 HydrophobicContact CG1-CB 3.55Å; V836-W994 HydrophobicContact CG1-CD2 4.48Å; V836-W994 HydrophobicContact CG1-CE3 3.89Å; V836-W994 HydrophobicContact CG1-CG 4.42Å
837	G	91.3	Very high	80.3	Confident	30 Å²	30	52.3 Å²	52.3	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-44.7	174.9	0	0	0	0	0	112.9	P833 L839 A840 A841	P833-G837 PolarHBondContact O-N 3.25Å; G837-L839 PolarHBondContact O-N 3.32Å; G837-A840 PolarHBondContact O-N 3.46Å; G837-A841 WeakPolarHBondContact O-CB 3.4Å; G837-A841 PolarHBondContact O-N 3.29Å
838	R	92.7	Very high	83.1	Confident	130 Å²	130	49.4 Å²	49.4	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-39.8	175.8	-76.3	175.2	66	-149.1	-1.4	112.8	I709 S834 N835 A841 A842	I709-R838 HydrophobicContact CD1-CB 4.11Å; S834-R838 VanDerWaalsContact O-CB 3.27Å; S834-R838 WeakPolarHBondContact O-CB 3.42Å; S834-R838 WeakPolarHBondContact O-CG 3.32Å; S834-R838 PolarHBondContact O-N 2.95Å; N835-R838 PolarHBondContact O-N 3.41Å; R838-A841 PolarHBondContact O-N 3.28Å; R838-A842 VanDerWaalsContact O-CB 3.31Å; R838-A842 WeakPolarHBondContact O-CB 3.43Å; R838-A842 PolarHBondContact O-N 3.2Å
839	L	93.4	Very high	85.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-44.9	176.7	-177.9	59.9	0	0	0	111.7	I709 L712 I743 I748 N835 V836 G837 A841 A842 L843 W994	I709-L839 HydrophobicContact CD1-CB 4.2Å; I709-L839 HydrophobicContact CG1-CB 4Å; I709-L839 HydrophobicContact CG1-CD1 3.76Å; I709-L839 HydrophobicContact CG1-CG 4.47Å; L712-L839 HydrophobicContact CD1-CD1 3.96Å; I743-L839 HydrophobicContact CG2-CD1 4.12Å; I743-L839 HydrophobicContact CG2-CD2 4Å; I743-L839 HydrophobicContact CG2-CG 4.5Å; I748-L839 HydrophobicContact CD1-CD2 3.77Å; I748-L839 HydrophobicContact CG1-CD2 3.81Å; N835-L839 VanDerWaalsContact O-CB 3.32Å; N835-L839 WeakPolarHBondContact O-CB 3.34Å; N835-L839 PolarHBondContact O-N 2.68Å; V836-L839 PolarHBondContact O-N 3.49Å; G837-L839 PolarHBondContact O-N 3.32Å; L839-A841 VanDerWaalsContact C-N 3.34Å; L839-A841 PolarHBondContact O-N 3.14Å; L839-A842 PolarHBondContact O-N 2.92Å; L839-L843 VanDerWaalsContact O-CB 3.25Å; L839-L843 WeakPolarHBondContact O-CB 3.36Å; L839-L843 PolarHBondContact O-N 3Å; L839-W994 HydrophobicContact CB-CZ3 4.2Å; L839-W994 HydrophobicContact CD2-CE3 4.4Å; L839-W994 HydrophobicContact CD2-CH2 4.06Å; L839-W994 HydrophobicContact CD2-CZ3 3.92Å; L839-W994 HydrophobicContact CG-CH2 3.97Å; L839-W994 HydrophobicContact CG-CZ3 3.79Å
840	A	94.1	Very high	87.7	Confident	9 Å²	9	40.9 Å²	40.9	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-41.2	175.8	0	0	0	0	0	111.8	V836 G837 R844 L991 W994	V836-A840 PolarHBondContact O-N 3.44Å; G837-A840 PolarHBondContact O-N 3.46Å; A840-R844 VanDerWaalsContact O-CB 3.25Å; A840-R844 WeakPolarHBondContact O-CB 3.18Å; A840-R844 PolarHBondContact O-N 3.04Å; A840-L991 HydrophobicContact CB-CB 4.27Å; A840-L991 HydrophobicContact CB-CD1 4.4Å; A840-W994 HydrophobicContact CB-CZ3 4.03Å
841	A	95.2	Very high	89.7	Confident	52 Å²	52	36.9 Å²	36.9	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-42.6	176.6	0	0	0	0	0	112.9	G837 R838 L839 S845	G837-A841 WeakPolarHBondContact O-CB 3.4Å; G837-A841 PolarHBondContact O-N 3.29Å; R838-A841 PolarHBondContact O-N 3.28Å; L839-A841 VanDerWaalsContact C-N 3.34Å; L839-A841 PolarHBondContact O-N 3.14Å; A841-S845 WeakPolarHBondContact O-CB 3.46Å; A841-S845 PolarHBondContact O-N 2.94Å; A841-S845 PolarHBondContact O-OG 2.99Å
842	A	95.8	Very high	91.4	Very high	8 Å²	8	38.4 Å²	38.4	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-43	177.1	0	0	0	0	0	112	I709 L712 E713 R838 L839 S845 F846	I709-A842 HydrophobicContact CG2-CB 4.13Å; L712-A842 HydrophobicContact CB-CB 4.08Å; L712-A842 HydrophobicContact CD1-CB 4.38Å; E713-A842 HydrophobicContact CG-CB 4.38Å; R838-A842 VanDerWaalsContact O-CB 3.31Å; R838-A842 WeakPolarHBondContact O-CB 3.43Å; R838-A842 PolarHBondContact O-N 3.2Å; L839-A842 PolarHBondContact O-N 2.92Å; A842-S845 PolarHBondContact O-N 3.38Å; A842-F846 WeakPolarHBondContact O-CB 3.48Å; A842-F846 PolarHBondContact O-N 2.73Å
843	L	97	Very high	92.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-51.9	173.8	175.6	61.9	0	0	0	111.2	L712 I743 L839 S845 F846 L847 L868 L990 W994	L712-L843 HydrophobicContact CD1-CB 4.3Å; I743-L843 HydrophobicContact CD1-CD1 4.16Å; I743-L843 HydrophobicContact CD1-CD2 3.87Å; L839-L843 VanDerWaalsContact O-CB 3.25Å; L839-L843 WeakPolarHBondContact O-CB 3.36Å; L839-L843 PolarHBondContact O-N 3Å; L843-S845 VanDerWaalsContact C-N 3.33Å; L843-S845 PolarHBondContact O-N 2.98Å; L843-F846 PolarHBondContact O-N 3.4Å; L843-L847 HydrophobicContact CD1-CD1 3.8Å; L843-L847 HydrophobicContact CD1-CG 4.06Å; L843-L847 HydrophobicContact CG-CD1 3.93Å; L843-L847 WeakPolarHBondContact O-CB 3.48Å; L843-L847 VanDerWaalsContact O-CG 3.32Å; L843-L847 WeakPolarHBondContact O-CG 3.41Å; L843-L847 PolarHBondContact O-N 2.59Å; L843-L868 HydrophobicContact CD1-CD1 3.84Å; L843-L868 HydrophobicContact CD1-CD2 3.68Å; L843-L868 HydrophobicContact CD1-CG 4.44Å; L843-L990 HydrophobicContact CD2-CD1 3.9Å; L843-W994 HydrophobicContact CD2-CH2 3.91Å
844	R	97.5	Very high	94	Very high	109 Å²	109	30.3 Å²	30.3	41%	0.411	18%	0.176	S	C	.	.	H	α-helix	trans	-56.7	-46.6	177.7	-178.6	-176.7	175.1	-99	-6.3	111.6	A840 L847 L848 I983 N984 C987	A840-R844 VanDerWaalsContact O-CB 3.25Å; A840-R844 WeakPolarHBondContact O-CB 3.18Å; A840-R844 PolarHBondContact O-N 3.04Å; R844-L847 PolarHBondContact O-N 3.22Å; R844-L848 HydrophobicContact CG-CD1 3.9Å; R844-L848 HydrophobicContact CG-CG 4.45Å; R844-L848 WeakPolarHBondContact O-CB 3.27Å; R844-L848 WeakPolarHBondContact O-CG 3.29Å; R844-L848 PolarHBondContact O-N 3.31Å; R844-I983 HydrophobicContact CG-CG2 4.49Å; R844-N984 VanDerWaalsContact CZ-OD1 3.23Å; R844-N984 PolarHBondContact NE-OD1 2.91Å; R844-N984 PolarHBondContact NH2-OD1 3.09Å; R844-C987 HydrophobicContact CB-CB 4.15Å; R844-C987 HydrophobicContact CG-CB 4.48Å
845	S	97.5	Very high	94.7	Very high	57 Å²	57	27.6 Å²	27.6	40%	0.399	16%	0.157	S	C	.	.	H	α-helix	trans	-63	-43.9	-179.1	-57.8	0	0	0	0	112	A841 A842 L843 A849	A841-S845 WeakPolarHBondContact O-CB 3.46Å; A841-S845 PolarHBondContact O-N 2.94Å; A841-S845 PolarHBondContact O-OG 2.99Å; A842-S845 PolarHBondContact O-N 3.38Å; L843-S845 VanDerWaalsContact C-N 3.33Å; L843-S845 PolarHBondContact O-N 2.98Å; S845-A849 VanDerWaalsContact O-CB 3.29Å; S845-A849 WeakPolarHBondContact O-CB 3.35Å; S845-A849 PolarHBondContact O-N 3.32Å
846	F	97.8	Very high	95.2	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.013	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-45.4	175.2	167.6	-114.2	0	0	0	112.6	L712 L715 T716 L719 A842 L843 A849 L850 I872	L712-F846 HydrophobicContact CB-CB 4.33Å; L712-F846 HydrophobicContact CD2-CB 4.06Å; L712-F846 HydrophobicContact CD2-CD1 3.49Å; L712-F846 VanDerWaalsContact CD2-CD1 3.49Å; L712-F846 HydrophobicContact CD2-CE1 4.14Å; L712-F846 HydrophobicContact CD2-CG 3.88Å; L715-F846 HydrophobicContact CB-CD2 3.77Å; L715-F846 HydrophobicContact CB-CE2 3.74Å; L715-F846 HydrophobicContact CD1-CD2 4.44Å; L715-F846 HydrophobicContact CD1-CE2 3.9Å; L715-F846 HydrophobicContact CD1-CZ 4.12Å; L715-F846 HydrophobicContact CG-CE2 4.38Å; T716-F846 VanDerWaalsContact OG1-CA 3.27Å; T716-F846 WeakPolarHBondContact OG1-CA 3.25Å; T716-F846 WeakPolarHBondContact OG1-CB 3.49Å; T716-F846 PolarHBondContact OG1-N 3.03Å; L719-F846 HydrophobicContact CD1-CD2 4.15Å; L719-F846 HydrophobicContact CD1-CE2 4.05Å; A842-F846 WeakPolarHBondContact O-CB 3.48Å; A842-F846 PolarHBondContact O-N 2.73Å; L843-F846 PolarHBondContact O-N 3.4Å; F846-A849 PolarHBondContact O-N 2.89Å; F846-L850 HydrophobicContact CZ-CD2 4.28Å; F846-L850 WeakPolarHBondContact O-CB 3.49Å; F846-L850 PolarHBondContact O-N 3.41Å; F846-I872 HydrophobicContact CE1-CG2 4.08Å
847	L	97.6	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-44	-179.7	-71.7	174.9	0	0	0	112.2	L843 R844 L850 V851 L868 I872 L875 I983	L843-L847 HydrophobicContact CD1-CD1 3.8Å; L843-L847 HydrophobicContact CD1-CG 4.06Å; L843-L847 HydrophobicContact CG-CD1 3.93Å; L843-L847 WeakPolarHBondContact O-CB 3.48Å; L843-L847 VanDerWaalsContact O-CG 3.32Å; L843-L847 WeakPolarHBondContact O-CG 3.41Å; L843-L847 PolarHBondContact O-N 2.59Å; R844-L847 PolarHBondContact O-N 3.22Å; L847-L850 PolarHBondContact O-N 3.4Å; L847-V851 WeakPolarHBondContact O-CG2 3.48Å; L847-V851 PolarHBondContact O-N 2.98Å; L847-L868 HydrophobicContact CD2-CD1 4.16Å; L847-I872 HydrophobicContact CD2-CG2 4.07Å; L847-L875 HydrophobicContact CD2-CD1 3.89Å; L847-I983 HydrophobicContact CB-CD1 3.98Å; L847-I983 HydrophobicContact CB-CG1 4.27Å; L847-I983 HydrophobicContact CB-CG2 3.83Å; L847-I983 HydrophobicContact CD1-CG2 4.14Å
848	L	96.9	Very high	95.9	Very high	33 Å²	33	24.2 Å²	24.2	17%	0.173	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-38	175.9	-66.3	174.7	0	0	0	111.7	R844 V851 S852 E980 I983	R844-L848 HydrophobicContact CG-CD1 3.9Å; R844-L848 HydrophobicContact CG-CG 4.45Å; R844-L848 WeakPolarHBondContact O-CB 3.27Å; R844-L848 WeakPolarHBondContact O-CG 3.29Å; R844-L848 PolarHBondContact O-N 3.31Å; L848-V851 PolarHBondContact O-N 2.84Å; L848-S852 WeakPolarHBondContact O-CB 3.42Å; L848-S852 PolarHBondContact O-N 3.13Å; L848-S852 PolarHBondContact O-OG 2.9Å; L848-E980 HydrophobicContact CD2-CB 3.97Å; L848-E980 HydrophobicContact CD2-CG 3.86Å; L848-I983 HydrophobicContact CD2-CB 4.32Å; L848-I983 HydrophobicContact CD2-CD1 4.31Å; L848-I983 HydrophobicContact CD2-CG2 4.03Å; L848-I983 HydrophobicContact CG-CG2 4.13Å
849	A	96.8	Very high	96.1	Very high	9 Å²	9	18.1 Å²	18.1	7%	0.074	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-41.2	172.3	0	0	0	0	0	112.1	T716 L719 S845 F846 S852 F853	T716-A849 HydrophobicContact CG2-CB 4.1Å; L719-A849 HydrophobicContact CB-CB 4.44Å; L719-A849 HydrophobicContact CD1-CB 4.04Å; S845-A849 VanDerWaalsContact O-CB 3.29Å; S845-A849 WeakPolarHBondContact O-CB 3.35Å; S845-A849 PolarHBondContact O-N 3.32Å; F846-A849 PolarHBondContact O-N 2.89Å; A849-S852 WeakPolarHBondContact CA-OG 3.48Å; A849-S852 PolarHBondContact O-OG 2.98Å; A849-F853 VanDerWaalsContact O-CB 3.32Å; A849-F853 WeakPolarHBondContact O-CB 3.46Å; A849-F853 PolarHBondContact O-N 3.4Å
850	L	96.9	Very high	96.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-68	-36.3	178.8	-177.1	62.5	0	0	0	113	L719 F846 L847 V857 I872 L875	L719-L850 HydrophobicContact CD1-CB 4.18Å; L719-L850 HydrophobicContact CD1-CD1 4.44Å; F846-L850 HydrophobicContact CZ-CD2 4.28Å; F846-L850 WeakPolarHBondContact O-CB 3.49Å; F846-L850 PolarHBondContact O-N 3.41Å; L847-L850 PolarHBondContact O-N 3.4Å; L850-V857 HydrophobicContact CD1-CG1 4.28Å; L850-V857 HydrophobicContact CD1-CG2 4.21Å; L850-I872 HydrophobicContact CD2-CB 4Å; L850-I872 HydrophobicContact CD2-CG2 4.09Å; L850-L875 HydrophobicContact CD2-CB 4Å; L850-L875 HydrophobicContact CD2-CD1 4.14Å; L850-L875 HydrophobicContact CG-CB 4.3Å
851	V	95	Very high	96.5	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-70	-46.2	176.2	170.1	0	0	0	0	111.5	L847 L848 F853 L875 R976 I979 E980 I983	L847-V851 WeakPolarHBondContact O-CG2 3.48Å; L847-V851 PolarHBondContact O-N 2.98Å; L848-V851 PolarHBondContact O-N 2.84Å; V851-F853 VanDerWaalsContact C-N 3.35Å; V851-L875 HydrophobicContact CG2-CD1 4.23Å; V851-L875 HydrophobicContact CG2-CD2 4.08Å; V851-R976 HydrophobicContact CG1-CG 4.29Å; V851-I979 HydrophobicContact CG1-CG2 4.09Å; V851-I979 HydrophobicContact CG2-CG2 3.58Å; V851-E980 HydrophobicContact CG1-CG 3.94Å; V851-I983 HydrophobicContact CG2-CD1 3.63Å
852	S	92.9	Very high	96.5	Very high	47 Å²	47	16.1 Å²	16.1	33%	0.329	9%	0.09	S	C	.	.	H	α-helix	trans	-75.7	-17.1	-178	59.1	0	0	0	0	114.6	L848 A849 P854	L848-S852 WeakPolarHBondContact O-CB 3.42Å; L848-S852 PolarHBondContact O-N 3.13Å; L848-S852 PolarHBondContact O-OG 2.9Å; A849-S852 WeakPolarHBondContact CA-OG 3.48Å; A849-S852 PolarHBondContact O-OG 2.98Å; S852-P854 WeakPolarHBondContact O-CD 3.34Å
853	F	95.4	Very high	96.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.018	9%	0.087	C	C	.	.			trans	-58.5	116.5	-177.3	-173.3	-107.1	0	0	0	112.4	L719 A722 T723 I730 A849 V851 K855 V857 K968	L719-F853 HydrophobicContact CB-CD2 4.24Å; L719-F853 HydrophobicContact CD2-CB 4.41Å; L719-F853 HydrophobicContact CD2-CD1 4.33Å; L719-F853 HydrophobicContact CD2-CD2 3.91Å; L719-F853 HydrophobicContact CD2-CE2 4.23Å; L719-F853 HydrophobicContact CD2-CG 3.97Å; L719-F853 WeakPolarHBondContact O-CE2 3.49Å; A722-F853 HydrophobicContact CB-CE2 3.77Å; A722-F853 HydrophobicContact CB-CZ 3.87Å; T723-F853 WeakPolarHBondContact OG1-CD2 3.33Å; I730-F853 HydrophobicContact CB-CE1 4.16Å; I730-F853 HydrophobicContact CB-CZ 4.19Å; I730-F853 HydrophobicContact CG2-CD1 4.3Å; I730-F853 HydrophobicContact CG2-CE1 3.51Å; I730-F853 HydrophobicContact CG2-CZ 3.97Å; A849-F853 VanDerWaalsContact O-CB 3.32Å; A849-F853 WeakPolarHBondContact O-CB 3.46Å; A849-F853 PolarHBondContact O-N 3.4Å; V851-F853 VanDerWaalsContact C-N 3.35Å; F853-K855 HydrophobicContact CD1-CB 4.4Å; F853-K855 WeakPolarHBondContact CD1-O 3.34Å; F853-K855 HydrophobicContact CE1-CB 3.68Å; F853-K855 WeakPolarHBondContact CE1-O 3.07Å; F853-K855 HydrophobicContact CZ-CB 3.96Å; F853-K855 HydrophobicContact CZ-CD 4.45Å; F853-K855 PolarHBondContact O-N 3.38Å; F853-V857 HydrophobicContact CD1-CG2 3.56Å; F853-V857 HydrophobicContact CE1-CG2 4.02Å; F853-K968 WeakPolarHBondContact O-CE 3.5Å; F853-K968 PolarHBondContact O-NZ 2.76Å
854	P	93.8	Very high	96.4	Very high	22 Å²	22	16.7 Å²	16.7	14%	0.143	9%	0.093	C	C	.	.			trans	-79.5	-18.4	-166.1	29.2	-35.9	0	0	0	115	L632 P633 T723 S852	L632-P854 HydrophobicContact CD2-CB 3.93Å; P633-P854 HydrophobicContact CG-CB 4.22Å; P633-P854 HydrophobicContact CG-CG 3.5Å; T723-P854 HydrophobicContact CG2-CG 4.01Å; S852-P854 WeakPolarHBondContact O-CD 3.34Å
855	K	95	Very high	96.3	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.026	7%	0.073	C	C	.	.	S	Bend	trans	-95.8	155.1	-176.9	-65.1	168	178.4	179.9	0	111.5	A722 T723 D725 S727 F853 V857 E965 K968	A722-K855 PolarHBondContact O-NZ 2.91Å; T723-K855 VanDerWaalsContact O-CE 3.26Å; T723-K855 WeakPolarHBondContact O-CE 3.48Å; T723-K855 PolarHBondContact O-NZ 2.71Å; D725-K855 PolarHBondContact O-NZ 3.01Å; S727-K855 WeakPolarHBondContact O-CD 3.32Å; S727-K855 WeakPolarHBondContact O-CE 3.5Å; S727-K855 PolarHBondContact O-NZ 3.19Å; F853-K855 HydrophobicContact CD1-CB 4.4Å; F853-K855 WeakPolarHBondContact CD1-O 3.34Å; F853-K855 HydrophobicContact CE1-CB 3.68Å; F853-K855 WeakPolarHBondContact CE1-O 3.07Å; F853-K855 HydrophobicContact CZ-CB 3.96Å; F853-K855 HydrophobicContact CZ-CD 4.45Å; F853-K855 PolarHBondContact O-N 3.38Å; K855-V857 PolarHBondContact O-N 2.73Å; K855-E965 WeakPolarHBondContact CE-OE1 3.38Å; K855-E965 HydrophobicContact CG-CG 3.91Å; K855-E965 WeakPolarHBondContact CG-OE1 3.4Å; K855-K968 WeakPolarHBondContact O-CD 3.5Å; K855-K968 PolarHBondContact O-NZ 3.24Å
856	P	96.5	Very high	96.2	Very high	11 Å²	11	9.4 Å²	9.4	7%	0.071	6%	0.057	C	C	.	.			trans	-58.1	136.6	179.2	-25.5	34.2	0	0	0	113.9	L729 I730 D877 L964	L729-P856 WeakPolarHBondContact CA-O 3.39Å; L729-P856 HydrophobicContact CB-CB 4.05Å; L729-P856 HydrophobicContact CB-CG 4.48Å; L729-P856 WeakPolarHBondContact CB-O 3.26Å; I730-P856 PolarHBondContact N-O 2.88Å; P856-D877 WeakPolarHBondContact CA-OD2 3.2Å; P856-L964 HydrophobicContact CG-CB 3.91Å; P856-L964 HydrophobicContact CG-CD2 4.28Å; P856-L964 HydrophobicContact CG-CG 4.47Å
857	V	97.7	Very high	96	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.5	174.2	-175.6	0	0	0	0	108.6	I730 I732 L850 F853 K855 V859 C876 D877 I878	I730-V857 HydrophobicContact CG2-CB 4.13Å; I730-V857 HydrophobicContact CG2-CG1 4.09Å; I730-V857 HydrophobicContact CG2-CG2 3.8Å; I732-V857 HydrophobicContact CD1-CG1 3.92Å; I732-V857 HydrophobicContact CG1-CG1 4.43Å; L850-V857 HydrophobicContact CD1-CG1 4.28Å; L850-V857 HydrophobicContact CD1-CG2 4.21Å; F853-V857 HydrophobicContact CD1-CG2 3.56Å; F853-V857 HydrophobicContact CE1-CG2 4.02Å; K855-V857 PolarHBondContact O-N 2.73Å; V857-V859 HydrophobicContact CG1-CG2 4.41Å; V857-C876 HydrophobicContact CB-CB 4.27Å; V857-C876 HydrophobicContact CG1-CB 4Å; V857-D877 PolarHBondContact N-OD2 3.27Å; V857-D877 PolarHBondContact O-N 3.01Å; V857-I878 PolarHBondContact O-N 3.47Å
858	V	97.7	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117	176.9	-174.6	0	0	0	0	109.5	L729 I730 M731 I732 I878 Y880 L949 L956	L729-V858 HydrophobicContact CD1-CG2 4.19Å; I730-V858 PolarHBondContact O-N 3.27Å; M731-V858 CarbonylContact C-O 3.48Å; M731-V858 VanDerWaalsContact CA-O 3.26Å; M731-V858 WeakPolarHBondContact CA-O 3.13Å; I732-V858 PolarHBondContact N-O 3.24Å; V858-I878 CarbonylContact C-O 3.55Å; V858-I878 WeakPolarHBondContact CA-O 3.32Å; V858-I878 HydrophobicContact CG1-CB 4.38Å; V858-I878 HydrophobicContact CG1-CG2 4.38Å; V858-I878 HydrophobicContact CG2-CB 4.37Å; V858-Y880 HydrophobicContact CG1-CD2 3.76Å; V858-Y880 HydrophobicContact CG1-CE2 3.83Å; V858-L949 HydrophobicContact CG1-CD1 4.37Å; V858-L956 HydrophobicContact CG2-CD2 3.88Å
859	V	98	Very high	95.9	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.8	177.2	-177.5	0	0	0	0	111	I732 F739 V857 V861 L873 C876 I878 V879 Y880	I732-V859 CarbonylContact O-C 3.59Å; I732-V859 WeakPolarHBondContact O-CA 3.5Å; F739-V859 HydrophobicContact CE1-CG1 4.4Å; F739-V859 HydrophobicContact CE2-CG1 3.7Å; F739-V859 HydrophobicContact CZ-CG1 3.49Å; F739-V859 VanDerWaalsContact CZ-CG1 3.49Å; V857-V859 HydrophobicContact CG1-CG2 4.41Å; V859-V861 HydrophobicContact CG1-CG2 3.92Å; V859-L873 HydrophobicContact CB-CD2 4.31Å; V859-L873 HydrophobicContact CG1-CD2 3.76Å; V859-C876 HydrophobicContact CG2-CB 3.6Å; V859-C876 WeakPolarHBondContact CG2-SG 3.47Å; V859-I878 PolarHBondContact N-O 3.39Å; V859-V879 HydrophobicContact CB-CG2 4.5Å; V859-Y880 PolarHBondContact O-N 3.47Å
860	G	97.7	Very high	95.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	102.4	170	0	0	0	0	0	111.7	I732 S733 F739 N862 Y880	I732-G860 PolarHBondContact O-N 3Å; S733-G860 WeakPolarHBondContact CA-O 3.1Å; S733-G860 PolarHBondContact OG-O 3.22Å; F739-G860 WeakPolarHBondContact CD2-O 3.45Å; G860-N862 PolarHBondContact O-N 3.33Å; G860-Y880 WeakPolarHBondContact CA-O 3.48Å
861	V	97.8	Very high	95.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	100.1	176.1	-172.5	0	0	0	0	110.4	F739 V859 G863 A865 L873 V879 Y880 I881 S882 A885 F887 F945	F739-V861 HydrophobicContact CB-CG1 3.78Å; F739-V861 HydrophobicContact CD1-CG1 4.27Å; F739-V861 HydrophobicContact CD1-CG2 4.34Å; F739-V861 HydrophobicContact CD2-CB 4.44Å; F739-V861 HydrophobicContact CD2-CG2 4.39Å; F739-V861 HydrophobicContact CE1-CG2 4.44Å; F739-V861 HydrophobicContact CE2-CG2 4.48Å; F739-V861 HydrophobicContact CG-CB 4.33Å; F739-V861 HydrophobicContact CG-CG1 3.95Å; F739-V861 HydrophobicContact CG-CG2 4.33Å; V859-V861 HydrophobicContact CG1-CG2 3.92Å; V861-G863 WeakPolarHBondContact CG1-O 3.37Å; V861-A865 HydrophobicContact CG1-CB 4.26Å; V861-L873 HydrophobicContact CG2-CD1 4.48Å; V861-L873 HydrophobicContact CG2-CD2 3.98Å; V861-V879 HydrophobicContact CG2-CG1 4.33Å; V861-Y880 PolarHBondContact N-O 3.01Å; V861-I881 HydrophobicContact CB-CB 4.48Å; V861-I881 HydrophobicContact CB-CG2 4.05Å; V861-I881 HydrophobicContact CG2-CG2 4.18Å; V861-S882 WeakPolarHBondContact O-CB 3.44Å; V861-S882 PolarHBondContact O-N 3.21Å; V861-A885 HydrophobicContact CG1-CB 3.99Å; V861-F887 HydrophobicContact CG1-CE1 3.9Å; V861-F887 HydrophobicContact CG1-CZ 4.16Å; V861-F887 HydrophobicContact CG2-CE1 4.31Å; V861-F945 WeakPolarHBondContact O-CE2 3.47Å
862	N	95.3	Very high	95.9	Very high	20 Å²	20	7.4 Å²	7.4	11%	0.107	5%	0.047	C	C	.	.			trans	-77.8	-24.1	-176.8	53.6	-58.7	0	0	0	114.7	G734 G736 V738 F739 G860 S882 S884 F945	G734-N862 WeakPolarHBondContact CA-OD1 3.35Å; G734-N862 PolarHBondContact N-OD1 2.9Å; G736-N862 PolarHBondContact O-ND2 2.96Å; V738-N862 PolarHBondContact O-ND2 3.2Å; V738-N862 PolarHBondContact O-OD1 2.96Å; F739-N862 VanDerWaalsContact CA-OD1 3.29Å; F739-N862 WeakPolarHBondContact CA-OD1 3.14Å; G860-N862 PolarHBondContact O-N 3.33Å; N862-S882 VanDerWaalsContact O-CB 3.3Å; N862-S882 WeakPolarHBondContact O-CB 3.05Å; N862-S884 PolarHBondContact O-OG 3.43Å; N862-F945 HydrophobicContact CB-CD1 4.08Å; N862-F945 HydrophobicContact CB-CE1 3.8Å; N862-F945 HydrophobicContact CB-CZ 4.18Å
863	G	94.4	Very high	96.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	-163.7	-149.8	-173.8	0	0	0	0	0	112.2	V861	V861-G863 WeakPolarHBondContact CG1-O 3.37Å
864	P	95.7	Very high	96.1	Very high	21 Å²	21	6.6 Å²	6.6	14%	0.136	4%	0.041	C	C	.	.			trans	-53	142.3	176.6	-28.1	34.4	0	0	0	114.1	T737 V738 F739 S740 T886 F1014	T737-P864 WeakPolarHBondContact O-CD 3.36Å; V738-P864 HydrophobicContact CG1-CB 4.47Å; V738-P864 WeakPolarHBondContact CG1-O 3.34Å; V738-P864 HydrophobicContact CG2-CB 4.48Å; V738-P864 HydrophobicContact CG2-CG 4.32Å; F739-P864 WeakPolarHBondContact CB-O 3.44Å; F739-P864 PolarHBondContact N-O 3.44Å; S740-P864 PolarHBondContact N-O 3.5Å; P864-T886 CarbonylContact C-O 3.58Å; P864-T886 WeakPolarHBondContact CA-O 3.49Å; P864-T886 WeakPolarHBondContact CA-OG1 3.25Å; P864-F1014 HydrophobicContact CB-CD1 4.35Å; P864-F1014 HydrophobicContact CB-CE1 3.88Å; P864-F1014 HydrophobicContact CB-CZ 4.27Å
865	A	96.5	Very high	96.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.3	175.5	0	0	0	0	0	109.6	F739 S740 V861 A869 V870 T886 F887 Y888	F739-A865 HydrophobicContact CB-CB 4.39Å; F739-A865 HydrophobicContact CD1-CB 3.88Å; S740-A865 WeakPolarHBondContact O-CA 3.16Å; V861-A865 HydrophobicContact CG1-CB 4.26Å; A865-A869 HydrophobicContact CB-CB 4.1Å; A865-V870 HydrophobicContact CB-CG2 4.06Å; A865-V870 VanDerWaalsContact O-CG2 3.32Å; A865-V870 WeakPolarHBondContact O-CG2 3.13Å; A865-T886 PolarHBondContact N-O 2.87Å; A865-F887 HydrophobicContact CB-CD1 3.94Å; A865-F887 HydrophobicContact CB-CE1 4.29Å; A865-F887 WeakPolarHBondContact O-CA 3.48Å; A865-Y888 PolarHBondContact O-N 3.33Å; A865-Y888 VanDerWaalsContact O-N 3.16Å
866	L	95.2	Very high	96.2	Very high	12 Å²	12	6.1 Å²	6.1	6%	0.063	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.5	-175	-166.8	152.6	0	0	0	112.2	S740 S741 G742 L868 A869 Y888 P890 F1006 F1014	S740-L866 PolarHBondContact O-N 3.28Å; S740-L866 VanDerWaalsContact O-N 3.07Å; S741-L866 WeakPolarHBondContact O-CD2 3.43Å; G742-L866 WeakPolarHBondContact CA-O 3.34Å; G742-L866 PolarHBondContact N-O 2.93Å; L866-L868 PolarHBondContact O-N 2.78Å; L866-A869 VanDerWaalsContact O-CB 3.25Å; L866-A869 WeakPolarHBondContact O-CB 3.47Å; L866-A869 PolarHBondContact O-N 3.47Å; L866-Y888 CarbonylContact C-O 3.53Å; L866-Y888 WeakPolarHBondContact CA-O 3.14Å; L866-Y888 HydrophobicContact CD1-CD1 3.99Å; L866-Y888 HydrophobicContact CG-CD1 4.39Å; L866-P890 HydrophobicContact CD2-CG 4.2Å; L866-P890 HydrophobicContact CG-CG 4.46Å; L866-F1006 HydrophobicContact CD1-CE1 4.09Å; L866-F1006 HydrophobicContact CD1-CZ 3.98Å; L866-F1014 HydrophobicContact CB-CE1 4.17Å; L866-F1014 HydrophobicContact CD1-CD1 3.89Å; L866-F1014 HydrophobicContact CD1-CE1 4.21Å
867	G	94.2	Very high	96.2	Very high	4 Å²	4	8.2 Å²	8.2	4%	0.041	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-121.8	173.3	0	0	0	0	0	112.2	A869 V870 A871 Y888 Y891	G867-A869 PolarHBondContact O-N 3.25Å; G867-V870 WeakPolarHBondContact O-CA 3.5Å; G867-V870 WeakPolarHBondContact O-CB 3.46Å; G867-V870 PolarHBondContact O-N 3.1Å; G867-A871 PolarHBondContact O-N 3.11Å; G867-Y888 PolarHBondContact N-O 3.3Å; G867-Y891 WeakPolarHBondContact CA-OH 3.43Å; G867-Y891 PolarHBondContact O-OH 2.85Å
868	L	95.8	Very high	96.2	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-46.1	-37.6	177.3	-175.6	61.9	0	0	0	113.2	F707 L712 I743 L843 L847 L866 V870 A871 I872 Y891 E899	F707-L868 HydrophobicContact CB-CD2 4.17Å; F707-L868 HydrophobicContact CD2-CB 4.25Å; F707-L868 HydrophobicContact CD2-CD2 3.73Å; F707-L868 HydrophobicContact CD2-CG 4.16Å; F707-L868 HydrophobicContact CE2-CB 4.4Å; F707-L868 HydrophobicContact CE2-CD2 4.2Å; F707-L868 HydrophobicContact CE2-CG 4.21Å; F707-L868 HydrophobicContact CG-CD2 3.91Å; L712-L868 HydrophobicContact CD2-CD2 4.14Å; I743-L868 HydrophobicContact CD1-CD2 4.12Å; I743-L868 HydrophobicContact CG1-CB 4.03Å; I743-L868 HydrophobicContact CG1-CD2 3.72Å; L843-L868 HydrophobicContact CD1-CD1 3.84Å; L843-L868 HydrophobicContact CD1-CD2 3.68Å; L843-L868 HydrophobicContact CD1-CG 4.44Å; L847-L868 HydrophobicContact CD2-CD1 4.16Å; L866-L868 PolarHBondContact O-N 2.78Å; L868-V870 PolarHBondContact O-N 3.49Å; L868-A871 PolarHBondContact O-N 3.23Å; L868-A871 VanDerWaalsContact O-N 3.15Å; L868-I872 HydrophobicContact CD1-CG2 3.78Å; L868-I872 HydrophobicContact CG-CG2 4.17Å; L868-I872 WeakPolarHBondContact O-CG1 3.12Å; L868-I872 WeakPolarHBondContact O-CG2 3.45Å; L868-I872 PolarHBondContact O-N 2.94Å; L868-Y891 PolarHBondContact N-OH 2.96Å; L868-E899 WeakPolarHBondContact CA-OE1 3.31Å; L868-E899 HydrophobicContact CB-CG 4.36Å; L868-E899 WeakPolarHBondContact CB-OE1 3.34Å; L868-E899 HydrophobicContact CD1-CG 3.87Å; L868-E899 PolarHBondContact N-OE1 3.25Å
869	A	96.2	Very high	96.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-22.5	179	0	0	0	0	0	113.7	F707 F739 A865 L866 G867 L873	F707-A869 HydrophobicContact CE2-CB 4.1Å; F739-A869 HydrophobicContact CD1-CB 4.01Å; F739-A869 HydrophobicContact CE1-CB 4.09Å; A865-A869 HydrophobicContact CB-CB 4.1Å; L866-A869 VanDerWaalsContact O-CB 3.25Å; L866-A869 WeakPolarHBondContact O-CB 3.47Å; L866-A869 PolarHBondContact O-N 3.47Å; G867-A869 PolarHBondContact O-N 3.25Å; A869-L873 WeakPolarHBondContact O-CG 3.47Å
870	V	96.8	Very high	96.2	Very high	2 Å²	2	12 Å²	12	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-93	-40.8	171.3	-165.3	0	0	0	0	110.5	A865 G867 L868 I872 L873 F887 M889 L935	A865-V870 HydrophobicContact CB-CG2 4.06Å; A865-V870 VanDerWaalsContact O-CG2 3.32Å; A865-V870 WeakPolarHBondContact O-CG2 3.13Å; G867-V870 WeakPolarHBondContact O-CA 3.5Å; G867-V870 WeakPolarHBondContact O-CB 3.46Å; G867-V870 PolarHBondContact O-N 3.1Å; L868-V870 PolarHBondContact O-N 3.49Å; V870-I872 VanDerWaalsContact C-N 3.3Å; V870-I872 PolarHBondContact O-N 2.87Å; V870-L873 HydrophobicContact CG1-CD1 4.27Å; V870-L873 WeakPolarHBondContact O-CB 3.41Å; V870-L873 WeakPolarHBondContact O-CG 3.37Å; V870-L873 PolarHBondContact O-N 3.19Å; V870-L873 VanDerWaalsContact O-N 3.08Å; V870-F887 HydrophobicContact CG1-CB 3.99Å; V870-F887 HydrophobicContact CG1-CD1 4.09Å; V870-F887 HydrophobicContact CG1-CG 4.43Å; V870-F887 HydrophobicContact CG2-CB 3.97Å; V870-F887 HydrophobicContact CG2-CD1 4.2Å; V870-M889 HydrophobicContact CB-CE 4.11Å; V870-M889 HydrophobicContact CB-CG 3.81Å; V870-M889 HydrophobicContact CB-SD 3.82Å; V870-M889 HydrophobicContact CG1-CE 4.23Å; V870-M889 HydrophobicContact CG1-CG 4.03Å; V870-M889 HydrophobicContact CG1-SD 3.53Å; V870-M889 VanDerWaalsContact CG1-SD 3.53Å; V870-M889 HydrophobicContact CG2-CG 4.04Å; V870-L935 HydrophobicContact CG1-CD2 4.31Å
871	A	96.1	Very high	96.2	Very high	1 Å²	1	12 Å²	12	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-64.3	-28	-178.1	0	0	0	0	0	114.2	G867 L868 L873 P874 M889 E899	G867-A871 PolarHBondContact O-N 3.11Å; L868-A871 PolarHBondContact O-N 3.23Å; L868-A871 VanDerWaalsContact O-N 3.15Å; A871-L873 VanDerWaalsContact C-N 3.31Å; A871-P874 WeakPolarHBondContact O-CD 3.32Å; A871-M889 HydrophobicContact CB-CE 4Å; A871-E899 HydrophobicContact CB-CG 4.11Å; A871-E899 WeakPolarHBondContact CB-O 3.41Å
872	I	96.5	Very high	96.1	Very high	5 Å²	5	12 Å²	12	3%	0.026	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.1	173.7	64.4	179.7	0	0	0	114.1	F707 F846 L847 L850 L868 V870 L875 C876	F707-I872 HydrophobicContact CZ-CD1 4.09Å; F846-I872 HydrophobicContact CE1-CG2 4.08Å; L847-I872 HydrophobicContact CD2-CG2 4.07Å; L850-I872 HydrophobicContact CD2-CB 4Å; L850-I872 HydrophobicContact CD2-CG2 4.09Å; L868-I872 HydrophobicContact CD1-CG2 3.78Å; L868-I872 HydrophobicContact CG-CG2 4.17Å; L868-I872 WeakPolarHBondContact O-CG1 3.12Å; L868-I872 WeakPolarHBondContact O-CG2 3.45Å; L868-I872 PolarHBondContact O-N 2.94Å; V870-I872 VanDerWaalsContact C-N 3.3Å; V870-I872 PolarHBondContact O-N 2.87Å; I872-L875 WeakPolarHBondContact O-CB 3.21Å; I872-L875 PolarHBondContact O-N 2.98Å; I872-L875 VanDerWaalsContact O-N 3.12Å; I872-C876 PolarHBondContact O-N 2.95Å; I872-C876 PolarHBondContact O-SG 3.4Å
873	L	96.7	Very high	96.1	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-64.5	-43.1	-174.4	-57.4	177	0	0	0	112.7	V859 V861 A869 V870 A871 L875 C876 V879 F887 L935	V859-L873 HydrophobicContact CB-CD2 4.31Å; V859-L873 HydrophobicContact CG1-CD2 3.76Å; V861-L873 HydrophobicContact CG2-CD1 4.48Å; V861-L873 HydrophobicContact CG2-CD2 3.98Å; A869-L873 WeakPolarHBondContact O-CG 3.47Å; V870-L873 HydrophobicContact CG1-CD1 4.27Å; V870-L873 WeakPolarHBondContact O-CB 3.41Å; V870-L873 WeakPolarHBondContact O-CG 3.37Å; V870-L873 PolarHBondContact O-N 3.19Å; V870-L873 VanDerWaalsContact O-N 3.08Å; A871-L873 VanDerWaalsContact C-N 3.31Å; L873-L875 PolarHBondContact O-N 3.35Å; L873-C876 PolarHBondContact O-N 3.23Å; L873-V879 HydrophobicContact CB-CG2 4.21Å; L873-V879 HydrophobicContact CD2-CG1 4.1Å; L873-V879 HydrophobicContact CD2-CG2 4.43Å; L873-F887 HydrophobicContact CD1-CD1 3.87Å; L873-F887 HydrophobicContact CD1-CE1 3.62Å; L873-L935 HydrophobicContact CB-CD1 4.35Å
874	P	94.7	Very high	96	Very high	31 Å²	31	16.6 Å²	16.6	20%	0.201	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-67.3	-16.6	172.6	-21.2	35	0	0	0	114.9	A871 L906 L909 L935	A871-P874 WeakPolarHBondContact O-CD 3.32Å; P874-L906 HydrophobicContact CG-CD1 4.49Å; P874-L909 HydrophobicContact CB-CD2 4.06Å; P874-L909 HydrophobicContact CG-CD2 3.93Å; P874-L935 HydrophobicContact CG-CD1 4.45Å
875	L	95	Very high	96.1	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-82	-18.1	174.7	-55.5	-176.8	0	0	0	112.3	L847 L850 V851 I872 L873 G900 T905 K972 I979	L847-L875 HydrophobicContact CD2-CD1 3.89Å; L850-L875 HydrophobicContact CD2-CB 4Å; L850-L875 HydrophobicContact CD2-CD1 4.14Å; L850-L875 HydrophobicContact CG-CB 4.3Å; V851-L875 HydrophobicContact CG2-CD1 4.23Å; V851-L875 HydrophobicContact CG2-CD2 4.08Å; I872-L875 WeakPolarHBondContact O-CB 3.21Å; I872-L875 PolarHBondContact O-N 2.98Å; I872-L875 VanDerWaalsContact O-N 3.12Å; L873-L875 PolarHBondContact O-N 3.35Å; L875-G900 WeakPolarHBondContact CD1-O 3.47Å; L875-T905 HydrophobicContact CD2-CG2 4.07Å; L875-K972 PolarHBondContact O-NZ 2.83Å; L875-I979 HydrophobicContact CD2-CG2 3.97Å
876	C	96	Very high	96	Very high	13 Å²	13	18 Å²	18	9%	0.088	10%	0.104	C	C	.	.	S	Bend	trans	-91.5	155.9	179	-60	0	0	0	0	111.4	V857 V859 I872 L873	V857-C876 HydrophobicContact CB-CB 4.27Å; V857-C876 HydrophobicContact CG1-CB 4Å; V859-C876 HydrophobicContact CG2-CB 3.6Å; V859-C876 WeakPolarHBondContact CG2-SG 3.47Å; I872-C876 PolarHBondContact O-N 2.95Å; I872-C876 PolarHBondContact O-SG 3.4Å; L873-C876 PolarHBondContact O-N 3.23Å
877	D	96.1	Very high	96.1	Very high	55 Å²	55	17.5 Å²	17.5	29%	0.294	10%	0.102	S	C	.	.	S	Bend	trans	-89.1	-28.3	-167.5	-47.8	-78.7	0	0	0	112.8	P856 V857 K968 K972	P856-D877 WeakPolarHBondContact CA-OD2 3.2Å; V857-D877 PolarHBondContact N-OD2 3.27Å; V857-D877 PolarHBondContact O-N 3.01Å; D877-K968 VanDerWaalsContact OD1-CD 3.3Å; D877-K968 WeakPolarHBondContact OD1-CD 3.48Å; D877-K968 WeakPolarHBondContact OD1-CE 3.48Å; D877-K968 IonicContact OD1-NZ 2.72Å; D877-K968 PolarHBondContact OD1-NZ 3.23Å; D877-K968 WeakPolarHBondContact OD2-CE 3.11Å; D877-K968 IonicContact OD2-NZ 3.72Å; D877-K968 PolarHBondContact OD2-NZ 3.12Å; D877-K972 VanDerWaalsContact OD1-CE 3.22Å; D877-K972 WeakPolarHBondContact OD1-CE 3.44Å; D877-K972 IonicContact OD1-NZ 2.99Å
878	I	97.1	Very high	96.2	Very high	39 Å²	39	18.1 Å²	18.1	20%	0.2	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	135.2	174.7	-58.2	-179.8	0	0	0	109.8	V857 V858 V859 Y880 L956	V857-I878 PolarHBondContact O-N 3.47Å; V858-I878 CarbonylContact C-O 3.55Å; V858-I878 WeakPolarHBondContact CA-O 3.32Å; V858-I878 HydrophobicContact CG1-CB 4.38Å; V858-I878 HydrophobicContact CG1-CG2 4.38Å; V858-I878 HydrophobicContact CG2-CB 4.37Å; V859-I878 PolarHBondContact N-O 3.39Å; I878-Y880 HydrophobicContact CG2-CD1 4.44Å; I878-Y880 HydrophobicContact CG2-CD2 4.16Å; I878-Y880 HydrophobicContact CG2-CE1 3.95Å; I878-Y880 HydrophobicContact CG2-CE2 3.66Å; I878-L956 HydrophobicContact CD1-CD2 3.53Å
879	V	97.7	Very high	96.2	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.042	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.4	-177.9	-178.7	0	0	0	0	110.2	V859 V861 L873 I881 A936 S937	V859-V879 HydrophobicContact CB-CG2 4.5Å; V861-V879 HydrophobicContact CG2-CG1 4.33Å; L873-V879 HydrophobicContact CB-CG2 4.21Å; L873-V879 HydrophobicContact CD2-CG1 4.1Å; L873-V879 HydrophobicContact CD2-CG2 4.43Å; V879-I881 HydrophobicContact CG1-CG2 3.87Å; V879-A936 HydrophobicContact CG1-CB 4.45Å; V879-S937 PolarHBondContact N-OG 3.4Å; V879-S937 VanDerWaalsContact N-OG 3.13Å; V879-S937 WeakPolarHBondContact O-CB 3.22Å; V879-S937 PolarHBondContact O-N 3.09Å; V879-S937 PolarHBondContact O-OG 2.96Å
880	Y	97.9	Very high	96	Very high	34 Å²	34	18.1 Å²	18.1	13%	0.133	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.7	173.4	-64.3	-54.2	0	0	0	110.6	V858 V859 G860 V861 I878 D938 L940 L949 R952	V858-Y880 HydrophobicContact CG1-CD2 3.76Å; V858-Y880 HydrophobicContact CG1-CE2 3.83Å; V859-Y880 PolarHBondContact O-N 3.47Å; G860-Y880 WeakPolarHBondContact CA-O 3.48Å; V861-Y880 PolarHBondContact N-O 3.01Å; I878-Y880 HydrophobicContact CG2-CD1 4.44Å; I878-Y880 HydrophobicContact CG2-CD2 4.16Å; I878-Y880 HydrophobicContact CG2-CE1 3.95Å; I878-Y880 HydrophobicContact CG2-CE2 3.66Å; Y880-D938 HydrophobicContact CD1-CB 3.94Å; Y880-D938 HydrophobicContact CE1-CB 4.03Å; Y880-L940 HydrophobicContact CD1-CD2 4.46Å; Y880-L940 HydrophobicContact CG-CD2 4.49Å; Y880-L949 HydrophobicContact CD2-CD1 3.79Å; Y880-L949 HydrophobicContact CG-CD1 4.48Å; Y880-R952 HydrophobicContact CD2-CB 4.49Å; Y880-R952 VanDerWaalsContact CE1-NH1 3.29Å; Y880-R952 HydrophobicContact CE2-CB 3.78Å; Y880-R952 HydrophobicContact CE2-CG 4.37Å
881	I	97.7	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145	-169.9	62.2	164.6	0	0	0	111.4	V861 V879 F887 A927 A930 L931 A936 D938 L939 L940	V861-I881 HydrophobicContact CB-CB 4.48Å; V861-I881 HydrophobicContact CB-CG2 4.05Å; V861-I881 HydrophobicContact CG2-CG2 4.18Å; V879-I881 HydrophobicContact CG1-CG2 3.87Å; I881-F887 HydrophobicContact CB-CZ 4.41Å; I881-F887 HydrophobicContact CG2-CZ 3.85Å; I881-A927 HydrophobicContact CD1-CB 4.06Å; I881-A927 WeakPolarHBondContact CD1-O 3.45Å; I881-A930 HydrophobicContact CD1-CB 4.25Å; I881-L931 HydrophobicContact CD1-CB 4.41Å; I881-A936 HydrophobicContact CB-CB 4.29Å; I881-A936 HydrophobicContact CD1-CB 3.5Å; I881-A936 HydrophobicContact CG1-CB 3.69Å; I881-A936 HydrophobicContact CG2-CB 3.56Å; I881-D938 PolarHBondContact N-O 2.83Å; I881-D938 VanDerWaalsContact N-O 3.17Å; I881-L939 HydrophobicContact CD1-CD2 3.84Å; I881-L939 HydrophobicContact CD1-CG 4.28Å; I881-L939 HydrophobicContact CG1-CD2 3.81Å; I881-L939 HydrophobicContact CG1-CG 4.22Å; I881-L939 CarbonylContact O-C 3.58Å; I881-L939 WeakPolarHBondContact O-CA 3.4Å; I881-L940 PolarHBondContact O-N 2.88Å
882	S	97	Very high	95.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.3	171.1	-171.8	0	0	0	0	110.2	V861 N862 S884 A885 A927 P942	V861-S882 WeakPolarHBondContact O-CB 3.44Å; V861-S882 PolarHBondContact O-N 3.21Å; N862-S882 VanDerWaalsContact O-CB 3.3Å; N862-S882 WeakPolarHBondContact O-CB 3.05Å; S882-S884 WeakPolarHBondContact CB-OG 3.32Å; S882-S884 PolarHBondContact O-N 2.94Å; S882-S884 PolarHBondContact OG-N 3.45Å; S882-S884 PolarHBondContact OG-OG 3.22Å; S882-A885 VanDerWaalsContact O-CB 3.25Å; S882-A885 WeakPolarHBondContact O-CB 3.49Å; S882-A885 PolarHBondContact O-N 3.07Å; S882-A927 WeakPolarHBondContact O-CB 3.42Å; S882-P942 WeakPolarHBondContact OG-CG 3.3Å
883	D	94.9	Very high	95.6	Very high	55 Å²	55	25.7 Å²	25.7	29%	0.294	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.9	169.1	-161	45.3	0	0	0	112.8	R928 L939 L940 P942	D883-R928 WeakPolarHBondContact OD1-CG 3.32Å; D883-R928 IonicContact OD1-CZ 2.73Å; D883-R928 IonicContact OD1-NE 3.16Å; D883-R928 PolarHBondContact OD1-NE 3.11Å; D883-R928 IonicContact OD1-NH2 2.8Å; D883-R928 PolarHBondContact OD1-NH2 3.16Å; D883-R928 IonicContact OD2-CZ 2.61Å; D883-R928 IonicContact OD2-NE 3.28Å; D883-R928 IonicContact OD2-NH2 3.36Å; D883-R928 PolarHBondContact OD2-NH2 2.95Å; D883-L939 HydrophobicContact CB-CD2 4.18Å; D883-L940 PolarHBondContact N-O 2.97Å; D883-P942 HydrophobicContact CB-CG 4.39Å
884	S	93.2	Very high	95.4	Very high	62 Å²	62	25.9 Å²	25.9	43%	0.434	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.5	170.6	62.5	0	0	0	0	114.8	N862 S882	N862-S884 PolarHBondContact O-OG 3.43Å; S882-S884 WeakPolarHBondContact CB-OG 3.32Å; S882-S884 PolarHBondContact O-N 2.94Å; S882-S884 PolarHBondContact OG-N 3.45Å; S882-S884 PolarHBondContact OG-OG 3.22Å
885	A	96.1	Very high	95.2	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.025	14%	0.14	C	C	.	.			trans	-80.7	147.7	-179.1	0	0	0	0	0	113	V861 S882 F887 A927	V861-A885 HydrophobicContact CG1-CB 3.99Å; S882-A885 VanDerWaalsContact O-CB 3.25Å; S882-A885 WeakPolarHBondContact O-CB 3.49Å; S882-A885 PolarHBondContact O-N 3.07Å; A885-F887 HydrophobicContact CB-CE2 4.23Å; A885-F887 HydrophobicContact CB-CZ 4.06Å; A885-A927 HydrophobicContact CB-CB 4.17Å; A885-A927 WeakPolarHBondContact O-CB 3.49Å; A885-A927 PolarHBondContact O-N 3.19Å
886	T	96	Very high	95.1	Very high	47 Å²	47	25.8 Å²	25.8	29%	0.288	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.1	174.2	48.9	0	0	0	0	109	P864 A865 L925 F1014	P864-T886 CarbonylContact C-O 3.58Å; P864-T886 WeakPolarHBondContact CA-O 3.49Å; P864-T886 WeakPolarHBondContact CA-OG1 3.25Å; A865-T886 PolarHBondContact N-O 2.87Å; T886-L925 WeakPolarHBondContact CA-O 3.41Å; T886-F1014 WeakPolarHBondContact OG1-CZ 3.32Å
887	F	96.9	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.7	-179.2	-48.1	-93.1	0	0	0	109.9	V861 A865 V870 L873 I881 A885 K924 L925 A930 L935	V861-F887 HydrophobicContact CG1-CE1 3.9Å; V861-F887 HydrophobicContact CG1-CZ 4.16Å; V861-F887 HydrophobicContact CG2-CE1 4.31Å; A865-F887 HydrophobicContact CB-CD1 3.94Å; A865-F887 HydrophobicContact CB-CE1 4.29Å; A865-F887 WeakPolarHBondContact O-CA 3.48Å; V870-F887 HydrophobicContact CG1-CB 3.99Å; V870-F887 HydrophobicContact CG1-CD1 4.09Å; V870-F887 HydrophobicContact CG1-CG 4.43Å; V870-F887 HydrophobicContact CG2-CB 3.97Å; V870-F887 HydrophobicContact CG2-CD1 4.2Å; L873-F887 HydrophobicContact CD1-CD1 3.87Å; L873-F887 HydrophobicContact CD1-CE1 3.62Å; I881-F887 HydrophobicContact CB-CZ 4.41Å; I881-F887 HydrophobicContact CG2-CZ 3.85Å; A885-F887 HydrophobicContact CB-CE2 4.23Å; A885-F887 HydrophobicContact CB-CZ 4.06Å; F887-K924 WeakPolarHBondContact O-CA 3.43Å; F887-L925 HydrophobicContact CB-CB 4.18Å; F887-L925 HydrophobicContact CD2-CB 4.48Å; F887-L925 PolarHBondContact N-O 3.31Å; F887-L925 PolarHBondContact O-N 2.85Å; F887-A930 HydrophobicContact CD2-CB 3.87Å; F887-A930 HydrophobicContact CE2-CB 3.51Å; F887-A930 HydrophobicContact CZ-CB 4.3Å; F887-L935 HydrophobicContact CG-CD2 4.41Å
888	Y	95.6	Very high	95.1	Very high	17 Å²	17	25.9 Å²	25.9	7%	0.067	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	133.7	-175.3	-177.6	-152	0	0	0	110.3	A865 L866 G867 P890 G922 K924 F1006 F1014	A865-Y888 PolarHBondContact O-N 3.33Å; A865-Y888 VanDerWaalsContact O-N 3.16Å; L866-Y888 CarbonylContact C-O 3.53Å; L866-Y888 WeakPolarHBondContact CA-O 3.14Å; L866-Y888 HydrophobicContact CD1-CD1 3.99Å; L866-Y888 HydrophobicContact CG-CD1 4.39Å; G867-Y888 PolarHBondContact N-O 3.3Å; Y888-P890 HydrophobicContact CD1-CG 4.27Å; Y888-P890 HydrophobicContact CD2-CB 4.35Å; Y888-P890 HydrophobicContact CE1-CB 4.16Å; Y888-P890 HydrophobicContact CE1-CG 4.06Å; Y888-P890 HydrophobicContact CE2-CB 3.74Å; Y888-P890 HydrophobicContact CE2-CG 4.27Å; Y888-G922 WeakPolarHBondContact CD2-O 3.41Å; Y888-G922 WeakPolarHBondContact CE2-O 3.5Å; Y888-K924 HydrophobicContact CD1-CD 4.49Å; Y888-K924 HydrophobicContact CD1-CG 4.34Å; Y888-K924 HydrophobicContact CD2-CD 4.4Å; Y888-K924 HydrophobicContact CD2-CG 3.54Å; Y888-K924 HydrophobicContact CE2-CD 4.5Å; Y888-K924 HydrophobicContact CE2-CG 3.95Å; Y888-K924 HydrophobicContact CG-CD 4.4Å; Y888-K924 HydrophobicContact CG-CG 3.77Å; Y888-F1006 AromaticContact CE1-CE2 3.91Å; Y888-F1006 HydrophobicContact CE1-CE2 3.91Å; Y888-F1006 AromaticContact CE1-CZ 3.82Å; Y888-F1006 HydrophobicContact CE1-CZ 3.82Å; Y888-F1014 HydrophobicContact CD1-CD1 4.07Å; Y888-F1014 HydrophobicContact CD1-CD2 4.02Å; Y888-F1014 HydrophobicContact CD1-CE1 4.24Å; Y888-F1014 HydrophobicContact CD1-CE2 4.18Å; Y888-F1014 AromaticContact CD1-CG 3.97Å; Y888-F1014 HydrophobicContact CD1-CG 3.97Å; Y888-F1014 HydrophobicContact CD1-CZ 4.3Å; Y888-F1014 HydrophobicContact CG-CE2 4.26Å; Y888-F1014 HydrophobicContact CG-CZ 4.32Å
889	M	95.3	Very high	95	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.134	C	C	.	.			trans	-132	68.6	-173.7	-61.5	173.9	88.1	0	0	110.2	V870 A871 Y891 L906 L918 L919	V870-M889 HydrophobicContact CB-CE 4.11Å; V870-M889 HydrophobicContact CB-CG 3.81Å; V870-M889 HydrophobicContact CB-SD 3.82Å; V870-M889 HydrophobicContact CG1-CE 4.23Å; V870-M889 HydrophobicContact CG1-CG 4.03Å; V870-M889 HydrophobicContact CG1-SD 3.53Å; V870-M889 VanDerWaalsContact CG1-SD 3.53Å; V870-M889 HydrophobicContact CG2-CG 4.04Å; A871-M889 HydrophobicContact CB-CE 4Å; M889-Y891 HydrophobicContact CB-CD2 4.14Å; M889-Y891 HydrophobicContact CB-CE2 3.88Å; M889-Y891 HydrophobicContact CE-CE2 3.89Å; M889-Y891 HydrophobicContact CG-CE2 4.45Å; M889-Y891 PolarHBondContact O-N 3.26Å; M889-L906 HydrophobicContact CE-CD2 4.19Å; M889-L906 HydrophobicContact SD-CD2 3.99Å; M889-L918 VanDerWaalsContact O-O 3.14Å; M889-L918 HydrophobicContact SD-CB 4.36Å; M889-L919 HydrophobicContact CE-CD2 3.67Å; M889-L919 HydrophobicContact SD-CD2 4.18Å
890	P	93.4	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.			trans	-76.7	39.3	-169.1	32.3	-36.5	0	0	0	114.8	L866 Y888 T892 R893 L894 F1006	L866-P890 HydrophobicContact CD2-CG 4.2Å; L866-P890 HydrophobicContact CG-CG 4.46Å; Y888-P890 HydrophobicContact CD1-CG 4.27Å; Y888-P890 HydrophobicContact CD2-CB 4.35Å; Y888-P890 HydrophobicContact CE1-CB 4.16Å; Y888-P890 HydrophobicContact CE1-CG 4.06Å; Y888-P890 HydrophobicContact CE2-CB 3.74Å; Y888-P890 HydrophobicContact CE2-CG 4.27Å; P890-T892 PolarHBondContact O-N 2.85Å; P890-R893 HydrophobicContact CB-CB 4.28Å; P890-R893 PolarHBondContact O-N 3.46Å; P890-L894 HydrophobicContact CG-CD1 3.95Å; P890-L894 HydrophobicContact CG-CG 4.46Å; P890-L894 WeakPolarHBondContact O-CB 3.25Å; P890-L894 WeakPolarHBondContact O-CG 3.37Å; P890-L894 PolarHBondContact O-N 2.81Å; P890-F1006 HydrophobicContact CB-CE2 4.05Å; P890-F1006 HydrophobicContact CB-CZ 4.35Å; P890-F1006 HydrophobicContact CG-CE1 4.46Å; P890-F1006 HydrophobicContact CG-CE2 3.99Å; P890-F1006 HydrophobicContact CG-CZ 3.78Å
891	Y	95.2	Very high	94.6	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-49.9	-170.6	-62.9	-50.5	0	0	0	113.6	G867 L868 M889 R893 L894 G895 Q896 P898 E899 L919	G867-Y891 WeakPolarHBondContact CA-OH 3.43Å; G867-Y891 PolarHBondContact O-OH 2.85Å; L868-Y891 PolarHBondContact N-OH 2.96Å; M889-Y891 HydrophobicContact CB-CD2 4.14Å; M889-Y891 HydrophobicContact CB-CE2 3.88Å; M889-Y891 HydrophobicContact CE-CE2 3.89Å; M889-Y891 HydrophobicContact CG-CE2 4.45Å; M889-Y891 PolarHBondContact O-N 3.26Å; Y891-R893 PolarHBondContact O-N 3.01Å; Y891-L894 CarbonylContact O-C 3.53Å; Y891-L894 PolarHBondContact O-N 3.07Å; Y891-L894 VanDerWaalsContact O-N 3.13Å; Y891-G895 PolarHBondContact O-N 3.39Å; Y891-Q896 CarbonylContact C-O 3.16Å; Y891-Q896 WeakPolarHBondContact CB-O 3.41Å; Y891-Q896 HydrophobicContact CD1-CG 4.12Å; Y891-Q896 PolarHBondContact O-N 3Å; Y891-P898 HydrophobicContact CD2-CB 3.64Å; Y891-P898 HydrophobicContact CD2-CG 3.83Å; Y891-P898 HydrophobicContact CE2-CB 3.72Å; Y891-P898 HydrophobicContact CE2-CG 4.39Å; Y891-P898 HydrophobicContact CG-CB 4.37Å; Y891-P898 HydrophobicContact CG-CG 4.44Å; Y891-E899 HydrophobicContact CE1-CG 4.35Å; Y891-E899 WeakPolarHBondContact CE1-OE1 3.45Å; Y891-E899 VanDerWaalsContact CZ-OE1 3.31Å; Y891-E899 WeakPolarHBondContact OH-CG 3.31Å; Y891-E899 PolarHBondContact OH-OE1 3.47Å; Y891-L919 HydrophobicContact CD2-CD2 3.97Å; Y891-L919 HydrophobicContact CE2-CD2 3.86Å
892	T	93.9	Very high	94.4	Very high	75 Å²	75	22.3 Å²	22.3	46%	0.46	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-63.2	-37.4	176.1	48.4	0	0	0	0	113.1	P890 L894 G895 L920	P890-T892 PolarHBondContact O-N 2.85Å; T892-L894 PolarHBondContact O-N 3.31Å; T892-G895 PolarHBondContact O-N 3.25Å; T892-L920 WeakPolarHBondContact CG2-O 3.35Å; T892-L920 PolarHBondContact OG1-O 3.05Å
893	R	91.1	Very high	94.2	Very high	89 Å²	89	25 Å²	25	34%	0.336	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-67.9	-24.9	175.2	178.9	56.9	173.8	134.8	-4.8	112.7	P890 Y891 E1005 F1006 E1010	P890-R893 HydrophobicContact CB-CB 4.28Å; P890-R893 PolarHBondContact O-N 3.46Å; Y891-R893 PolarHBondContact O-N 3.01Å; R893-E1005 IonicContact CZ-OE1 3.51Å; R893-E1005 IonicContact CZ-OE2 2.8Å; R893-E1005 IonicContact NH1-OE1 3.37Å; R893-E1005 PolarHBondContact NH1-OE1 3.42Å; R893-E1005 IonicContact NH1-OE2 2.71Å; R893-E1005 PolarHBondContact NH1-OE2 2.85Å; R893-E1005 VanDerWaalsContact NH2-CD 3.32Å; R893-E1005 IonicContact NH2-OE1 3.49Å; R893-E1005 PolarHBondContact NH2-OE1 3.35Å; R893-E1005 IonicContact NH2-OE2 3.6Å; R893-F1006 HydrophobicContact CG-CD2 4.49Å; R893-E1010 IonicContact CZ-OE1 3.97Å; R893-E1010 IonicContact NE-OE1 3.95Å; R893-E1010 PolarHBondContact NE-OE1 3.35Å; R893-E1010 IonicContact NE-OE2 3.47Å; R893-E1010 IonicContact NH2-OE1 3.01Å; R893-E1010 PolarHBondContact NH2-OE1 3.39Å
894	L	91.8	Very high	94.2	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-91.4	1.7	176.3	-74.3	170.7	0	0	0	113.8	L745 P890 Y891 T892 Q896 F999 T1002 A1003 F1006	L745-L894 HydrophobicContact CD1-CD1 4.24Å; L745-L894 HydrophobicContact CD1-CD2 3.97Å; P890-L894 HydrophobicContact CG-CD1 3.95Å; P890-L894 HydrophobicContact CG-CG 4.46Å; P890-L894 WeakPolarHBondContact O-CB 3.25Å; P890-L894 WeakPolarHBondContact O-CG 3.37Å; P890-L894 PolarHBondContact O-N 2.81Å; Y891-L894 CarbonylContact O-C 3.53Å; Y891-L894 PolarHBondContact O-N 3.07Å; Y891-L894 VanDerWaalsContact O-N 3.13Å; T892-L894 PolarHBondContact O-N 3.31Å; L894-Q896 VanDerWaalsContact C-N 3.26Å; L894-Q896 HydrophobicContact CB-CG 4.05Å; L894-Q896 PolarHBondContact O-N 2.89Å; L894-F999 WeakPolarHBondContact O-CD2 3.45Å; L894-T1002 VanDerWaalsContact C-OG1 3.22Å; L894-T1002 PolarHBondContact O-OG1 2.77Å; L894-T1002 VanDerWaalsContact O-OG1 3.1Å; L894-A1003 HydrophobicContact CD2-CB 4.29Å; L894-F1006 HydrophobicContact CD2-CB 3.58Å; L894-F1006 HydrophobicContact CD2-CD1 3.8Å; L894-F1006 HydrophobicContact CD2-CD2 4.33Å; L894-F1006 HydrophobicContact CD2-CG 3.63Å; L894-F1006 HydrophobicContact CG-CG 4.42Å
895	G	91.1	Very high	94.1	Very high	19 Å²	19	21.1 Å²	21.1	20%	0.196	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	28.1	-176	0	0	0	0	0	114.1	Y891 T892	Y891-G895 PolarHBondContact O-N 3.39Å; T892-G895 PolarHBondContact O-N 3.25Å
896	Q	93.8	Very high	93.9	Very high	14 Å²	14	21 Å²	21	7%	0.065	11%	0.114	C	C	.	.			trans	-127.8	161.5	174.7	63.3	160.6	86.7	0	0	112.8	Y891 L894 L990 C993 F999	Y891-Q896 CarbonylContact C-O 3.16Å; Y891-Q896 WeakPolarHBondContact CB-O 3.41Å; Y891-Q896 HydrophobicContact CD1-CG 4.12Å; Y891-Q896 PolarHBondContact O-N 3Å; L894-Q896 VanDerWaalsContact C-N 3.26Å; L894-Q896 HydrophobicContact CB-CG 4.05Å; L894-Q896 PolarHBondContact O-N 2.89Å; Q896-L990 HydrophobicContact CB-CD2 4.26Å; Q896-C993 HydrophobicContact CB-CB 4.38Å; Q896-F999 HydrophobicContact CB-CD2 3.87Å; Q896-F999 HydrophobicContact CB-CE2 3.88Å; Q896-F999 HydrophobicContact CG-CD2 4.44Å; Q896-F999 HydrophobicContact CG-CE2 4.05Å
897	I	94.9	Very high	93.6	Very high	53 Å²	53	20.6 Å²	20.6	27%	0.272	11%	0.11	S	C	.	.			trans	-76.8	167.7	168.6	63.7	153.9	0	0	0	111.8	E986 K989 L990	I897-E986 HydrophobicContact CD1-CB 4.31Å; I897-E986 HydrophobicContact CD1-CG 4.43Å; I897-K989 HydrophobicContact CD1-CB 3.49Å; I897-K989 VanDerWaalsContact CD1-CB 3.49Å; I897-K989 HydrophobicContact CG1-CB 4.36Å; I897-L990 HydrophobicContact CD1-CG 4.21Å; I897-L990 HydrophobicContact CG1-CD2 3.73Å; I897-L990 HydrophobicContact CG1-CG 3.86Å
898	P	95.9	Very high	93.1	Very high	18 Å²	18	23.7 Å²	23.7	12%	0.117	13%	0.132	C	C	.	.			trans	-67	166.1	168.4	-18.4	32.6	0	0	0	113.7	Y891 S902 T903 L919	Y891-P898 HydrophobicContact CD2-CB 3.64Å; Y891-P898 HydrophobicContact CD2-CG 3.83Å; Y891-P898 HydrophobicContact CE2-CB 3.72Å; Y891-P898 HydrophobicContact CE2-CG 4.39Å; Y891-P898 HydrophobicContact CG-CB 4.37Å; Y891-P898 HydrophobicContact CG-CG 4.44Å; P898-S902 WeakPolarHBondContact CB-OG 3.35Å; P898-T903 HydrophobicContact CB-CG2 3.99Å; P898-T903 HydrophobicContact CG-CG2 4.03Å; P898-L919 HydrophobicContact CB-CD2 4.04Å; P898-L919 HydrophobicContact CG-CB 4.25Å; P898-L919 HydrophobicContact CG-CD1 4.41Å; P898-L919 HydrophobicContact CG-CD2 4.11Å; P898-L919 HydrophobicContact CG-CG 4.49Å
899	E	94.7	Very high	92.9	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.019	15%	0.146	C	C	.	.			trans	-135.3	179	-176.3	72.7	-151.7	143.5	0	0	111.5	I743 L868 A871 Y891 A901 S902 E986 L990	I743-E899 WeakPolarHBondContact CD1-OE2 3.42Å; L868-E899 WeakPolarHBondContact CA-OE1 3.31Å; L868-E899 HydrophobicContact CB-CG 4.36Å; L868-E899 WeakPolarHBondContact CB-OE1 3.34Å; L868-E899 HydrophobicContact CD1-CG 3.87Å; L868-E899 PolarHBondContact N-OE1 3.25Å; A871-E899 HydrophobicContact CB-CG 4.11Å; A871-E899 WeakPolarHBondContact CB-O 3.41Å; Y891-E899 HydrophobicContact CE1-CG 4.35Å; Y891-E899 WeakPolarHBondContact CE1-OE1 3.45Å; Y891-E899 VanDerWaalsContact CZ-OE1 3.31Å; Y891-E899 WeakPolarHBondContact OH-CG 3.31Å; Y891-E899 PolarHBondContact OH-OE1 3.47Å; E899-A901 VanDerWaalsContact C-N 3.31Å; E899-A901 PolarHBondContact O-N 3.24Å; E899-S902 WeakPolarHBondContact O-CB 3.29Å; E899-S902 PolarHBondContact O-N 3.38Å; E899-S902 PolarHBondContact O-OG 2.78Å; E899-E986 VanDerWaalsContact CA-OE2 3.22Å; E899-E986 WeakPolarHBondContact CA-OE2 2.93Å; E899-L990 HydrophobicContact CB-CD1 3.73Å
900	G	93	Very high	92.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	23.3	172.6	0	0	0	0	0	115.3	L875 S902 E986	L875-G900 WeakPolarHBondContact CD1-O 3.47Å; G900-S902 PolarHBondContact O-N 3.28Å; G900-E986 PolarHBondContact N-OE2 3.17Å
901	A	94.8	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	26.8	-164.7	0	0	0	0	0	113.9	E899 T903 Y904 T905 I979 V982 I983 E986	E899-A901 VanDerWaalsContact C-N 3.31Å; E899-A901 PolarHBondContact O-N 3.24Å; A901-T903 PolarHBondContact O-N 3Å; A901-Y904 PolarHBondContact O-N 2.87Å; A901-Y904 VanDerWaalsContact O-N 3.07Å; A901-T905 HydrophobicContact CB-CG2 4.16Å; A901-T905 WeakPolarHBondContact O-CB 3.4Å; A901-T905 WeakPolarHBondContact O-CG2 3.47Å; A901-T905 PolarHBondContact O-N 3.25Å; A901-T905 PolarHBondContact O-OG1 2.98Å; A901-I979 HydrophobicContact CB-CG2 3.97Å; A901-V982 HydrophobicContact CB-CB 4.17Å; A901-V982 HydrophobicContact CB-CG1 3.78Å; A901-I983 HydrophobicContact CB-CG1 4.04Å; A901-E986 WeakPolarHBondContact CA-OE1 3.39Å; A901-E986 VanDerWaalsContact CA-OE2 3.3Å; A901-E986 WeakPolarHBondContact CA-OE2 3.41Å; A901-E986 PolarHBondContact N-OE2 3.25Å
902	S	94.1	Very high	92.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-27	178.7	58.2	0	0	0	0	112.1	P898 E899 G900 Y904 L906	P898-S902 WeakPolarHBondContact CB-OG 3.35Å; E899-S902 WeakPolarHBondContact O-CB 3.29Å; E899-S902 PolarHBondContact O-N 3.38Å; E899-S902 PolarHBondContact O-OG 2.78Å; G900-S902 PolarHBondContact O-N 3.28Å; S902-Y904 PolarHBondContact O-N 2.83Å; S902-L906 WeakPolarHBondContact O-CB 3.28Å; S902-L906 PolarHBondContact O-N 3.42Å
903	T	93.5	Very high	92.4	Very high	56 Å²	56	30.9 Å²	30.9	34%	0.344	17%	0.173	S	C	.	.	H	α-helix	trans	-57.4	-31	171.1	57	0	0	0	0	113.8	P898 A901 N907 V982 E986	P898-T903 HydrophobicContact CB-CG2 3.99Å; P898-T903 HydrophobicContact CG-CG2 4.03Å; A901-T903 PolarHBondContact O-N 3Å; T903-N907 PolarHBondContact O-ND2 3.29Å; T903-V982 VanDerWaalsContact OG1-CG1 3.26Å; T903-V982 WeakPolarHBondContact OG1-CG1 3.38Å; T903-E986 WeakPolarHBondContact CB-OE1 3.42Å; T903-E986 VanDerWaalsContact CG2-OE1 3.28Å; T903-E986 WeakPolarHBondContact CG2-OE1 3.42Å; T903-E986 PolarHBondContact N-OE1 3.48Å; T903-E986 PolarHBondContact OG1-OE1 2.7Å
904	Y	93.2	Very high	92.6	Very high	24 Å²	24	26.7 Å²	26.7	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-103.3	-44.8	-179.4	177.9	-107.7	0	0	0	112.6	P615 A901 S902 S908 H975 R978 I979	P615-Y904 HydrophobicContact CG-CE2 3.71Å; A901-Y904 PolarHBondContact O-N 2.87Å; A901-Y904 VanDerWaalsContact O-N 3.07Å; S902-Y904 PolarHBondContact O-N 2.83Å; Y904-S908 PolarHBondContact O-N 3.44Å; Y904-S908 PolarHBondContact O-OG 3.26Å; Y904-H975 HydrophobicContact CE1-CB 4.39Å; Y904-H975 AromaticContact CZ-ND1 3.94Å; Y904-H975 PolarHBondContact OH-ND1 2.88Å; Y904-R978 HydrophobicContact CD2-CG 4.4Å; Y904-R978 HydrophobicContact CE1-CB 4.44Å; Y904-R978 HydrophobicContact CE1-CG 4.28Å; Y904-R978 HydrophobicContact CE2-CG 4.01Å; Y904-I979 HydrophobicContact CD1-CG1 3.84Å; Y904-I979 HydrophobicContact CE1-CG1 3.94Å
905	T	92.9	Very high	92.7	Very high	12 Å²	12	26.4 Å²	26.4	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-78.7	-41.6	-171.1	59.5	0	0	0	0	113	L875 A901 N907 S908 L909 I979	L875-T905 HydrophobicContact CD2-CG2 4.07Å; A901-T905 HydrophobicContact CB-CG2 4.16Å; A901-T905 WeakPolarHBondContact O-CB 3.4Å; A901-T905 WeakPolarHBondContact O-CG2 3.47Å; A901-T905 PolarHBondContact O-N 3.25Å; A901-T905 PolarHBondContact O-OG1 2.98Å; T905-N907 PolarHBondContact O-N 2.88Å; T905-S908 PolarHBondContact O-N 3.18Å; T905-L909 WeakPolarHBondContact O-CB 3.4Å; T905-L909 PolarHBondContact O-N 3.01Å; T905-I979 HydrophobicContact CG2-CD1 4.12Å; T905-I979 HydrophobicContact CG2-CG1 4.05Å
906	L	91.7	Very high	92.9	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-67.4	-39.6	-178.9	-169.3	63.5	0	0	0	111.1	P874 M889 S902 S908 L909 V910 A915 L918 L919 L935	P874-L906 HydrophobicContact CG-CD1 4.49Å; M889-L906 HydrophobicContact CE-CD2 4.19Å; M889-L906 HydrophobicContact SD-CD2 3.99Å; S902-L906 WeakPolarHBondContact O-CB 3.28Å; S902-L906 PolarHBondContact O-N 3.42Å; L906-S908 VanDerWaalsContact C-N 3.28Å; L906-S908 PolarHBondContact O-N 2.87Å; L906-L909 PolarHBondContact O-N 2.66Å; L906-L909 VanDerWaalsContact O-N 3.14Å; L906-V910 HydrophobicContact CD1-CG1 4.17Å; L906-V910 HydrophobicContact CD1-CG2 3.92Å; L906-V910 HydrophobicContact CG-CG2 4Å; L906-V910 WeakPolarHBondContact O-CG2 3.38Å; L906-V910 PolarHBondContact O-N 3.23Å; L906-A915 HydrophobicContact CB-CB 4.46Å; L906-A915 HydrophobicContact CD2-CB 4.34Å; L906-A915 HydrophobicContact CG-CB 4.11Å; L906-L918 HydrophobicContact CD1-CD1 4.42Å; L906-L918 HydrophobicContact CD2-CB 4.23Å; L906-L918 HydrophobicContact CD2-CD1 3.99Å; L906-L919 HydrophobicContact CD2-CD1 4.22Å; L906-L919 HydrophobicContact CD2-CD2 3.96Å; L906-L919 HydrophobicContact CD2-CG 3.93Å; L906-L935 HydrophobicContact CD1-CD1 4.11Å
907	N	89.7	Confident	93	Very high	37 Å²	37	31 Å²	31	20%	0.198	18%	0.175	C	C	.	.	H	α-helix	trans	-53.2	-44.6	172.1	-91.2	-34.2	0	0	0	112.5	T903 T905 G911 M912 A915	T903-N907 PolarHBondContact O-ND2 3.29Å; T905-N907 PolarHBondContact O-N 2.88Å; N907-G911 VanDerWaalsContact O-CA 3.28Å; N907-G911 WeakPolarHBondContact O-CA 3.5Å; N907-G911 PolarHBondContact O-N 2.86Å; N907-M912 WeakPolarHBondContact OD1-CA 3.31Å; N907-M912 PolarHBondContact OD1-SD 2.9Å; N907-A915 WeakPolarHBondContact OD1-CB 3.41Å
908	S	86.5	Confident	93.1	Very high	66 Å²	66	28.6 Å²	28.6	46%	0.462	16%	0.162	S	C	.	.	H	α-helix	trans	-73.7	-28.4	179.1	-55.4	0	0	0	0	113.2	Y904 T905 L906	Y904-S908 PolarHBondContact O-N 3.44Å; Y904-S908 PolarHBondContact O-OG 3.26Å; T905-S908 PolarHBondContact O-N 3.18Å; L906-S908 VanDerWaalsContact C-N 3.28Å; L906-S908 PolarHBondContact O-N 2.87Å
909	L	90	Very high	93.1	Very high	71 Å²	71	28.1 Å²	28.1	37%	0.372	16%	0.159	S	C	.	.	H	α-helix	trans	-87	-47.1	-174.8	-174	61.9	0	0	0	113.9	P874 T905 L906 L935	P874-L909 HydrophobicContact CB-CD2 4.06Å; P874-L909 HydrophobicContact CG-CD2 3.93Å; T905-L909 WeakPolarHBondContact O-CB 3.4Å; T905-L909 PolarHBondContact O-N 3.01Å; L906-L909 PolarHBondContact O-N 2.66Å; L906-L909 VanDerWaalsContact O-N 3.14Å; L909-L935 HydrophobicContact CD2-CD1 3.92Å
910	V	91.5	Very high	93.1	Very high	21 Å²	21	32.9 Å²	32.9	13%	0.127	18%	0.184	C	C	.	.	H	α-helix	trans	-114.3	-5.7	-173.4	-51.9	0	0	0	0	114.4	L906 L914 A915 R933 L935	L906-V910 HydrophobicContact CD1-CG1 4.17Å; L906-V910 HydrophobicContact CD1-CG2 3.92Å; L906-V910 HydrophobicContact CG-CG2 4Å; L906-V910 WeakPolarHBondContact O-CG2 3.38Å; L906-V910 PolarHBondContact O-N 3.23Å; V910-L914 HydrophobicContact CB-CD2 4.06Å; V910-L914 HydrophobicContact CG2-CB 4.06Å; V910-L914 HydrophobicContact CG2-CD2 4.05Å; V910-L914 HydrophobicContact CG2-CG 4.04Å; V910-A915 HydrophobicContact CG2-CB 4.35Å; V910-R933 HydrophobicContact CB-CB 4.45Å; V910-R933 HydrophobicContact CG1-CB 4.37Å; V910-L935 HydrophobicContact CG1-CB 4.11Å
911	G	90.9	Very high	93.2	Very high	14 Å²	14	36.7 Å²	36.7	14%	0.144	22%	0.215	C	C	.	.			trans	85.6	137.4	-179.6	0	0	0	0	0	114.1	N907 P913 L914 A915	N907-G911 VanDerWaalsContact O-CA 3.28Å; N907-G911 WeakPolarHBondContact O-CA 3.5Å; N907-G911 PolarHBondContact O-N 2.86Å; G911-P913 VanDerWaalsContact O-N 3.12Å; G911-L914 PolarHBondContact O-N 3.17Å; G911-A915 PolarHBondContact O-N 2.98Å; G911-A915 VanDerWaalsContact O-N 3.07Å
912	M	92.1	Very high	93.1	Very high	91 Å²	91	37.3 Å²	37.3	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-38.7	-48.3	-176.4	-176	77.8	73	0	0	116.2	F612 N907 L914 A915 N916	F612-M912 HydrophobicContact CE1-CB 4.08Å; N907-M912 WeakPolarHBondContact OD1-CA 3.31Å; N907-M912 PolarHBondContact OD1-SD 2.9Å; M912-L914 PolarHBondContact O-N 3.39Å; M912-A915 PolarHBondContact O-N 2.95Å; M912-N916 WeakPolarHBondContact O-CB 3.46Å; M912-N916 VanDerWaalsContact O-CG 3.27Å; M912-N916 PolarHBondContact O-N 2.97Å; M912-N916 PolarHBondContact O-OD1 3.07Å
913	P	94.4	Very high	93.1	Very high	49 Å²	49	41.2 Å²	41.2	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-58.1	-44.5	177.6	-26.5	34.8	0	0	0	114.4	K610 F612 G911 E917	K610-P913 HydrophobicContact CD-CG 4.35Å; F612-P913 VanDerWaalsContact CE1-CD 3.46Å; F612-P913 HydrophobicContact CE1-CG 4.42Å; F612-P913 HydrophobicContact CZ-CG 4.19Å; G911-P913 VanDerWaalsContact O-N 3.12Å; P913-E917 WeakPolarHBondContact O-CG 3.19Å; P913-E917 PolarHBondContact O-N 3.03Å
914	L	93.5	Very high	93.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-76.8	-36.5	179	-179.9	61.2	0	0	0	111.3	V910 G911 M912 N916 E917 L918 L925 R933	V910-L914 HydrophobicContact CB-CD2 4.06Å; V910-L914 HydrophobicContact CG2-CB 4.06Å; V910-L914 HydrophobicContact CG2-CD2 4.05Å; V910-L914 HydrophobicContact CG2-CG 4.04Å; G911-L914 PolarHBondContact O-N 3.17Å; M912-L914 PolarHBondContact O-N 3.39Å; L914-N916 VanDerWaalsContact C-N 3.28Å; L914-N916 PolarHBondContact O-N 3.46Å; L914-E917 HydrophobicContact CD1-CB 4.25Å; L914-E917 PolarHBondContact O-N 3.45Å; L914-L918 HydrophobicContact CD1-CD1 4.28Å; L914-L918 HydrophobicContact CD1-CD2 4.48Å; L914-L918 HydrophobicContact CD1-CG 4.04Å; L914-L918 HydrophobicContact CD2-CD1 4.46Å; L914-L918 HydrophobicContact CG-CD1 3.93Å; L914-L918 HydrophobicContact CG-CG 4.18Å; L914-L918 WeakPolarHBondContact O-CB 3.4Å; L914-L918 VanDerWaalsContact O-CG 3.23Å; L914-L918 WeakPolarHBondContact O-CG 3.37Å; L914-L918 PolarHBondContact O-N 3.24Å; L914-L925 HydrophobicContact CD1-CD1 4.29Å; L914-L925 HydrophobicContact CD2-CD1 4.38Å; L914-R933 HydrophobicContact CD2-CB 3.8Å; L914-R933 HydrophobicContact CD2-CG 3.47Å; L914-R933 VanDerWaalsContact CD2-CG 3.47Å
915	A	95	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-42.3	173.3	0	0	0	0	0	111.1	L906 N907 V910 G911 M912 L918 L919	L906-A915 HydrophobicContact CB-CB 4.46Å; L906-A915 HydrophobicContact CD2-CB 4.34Å; L906-A915 HydrophobicContact CG-CB 4.11Å; N907-A915 WeakPolarHBondContact OD1-CB 3.41Å; V910-A915 HydrophobicContact CG2-CB 4.35Å; G911-A915 PolarHBondContact O-N 2.98Å; G911-A915 VanDerWaalsContact O-N 3.07Å; M912-A915 PolarHBondContact O-N 2.95Å; A915-L918 PolarHBondContact O-N 3.48Å; A915-L919 VanDerWaalsContact O-CB 3.29Å; A915-L919 WeakPolarHBondContact O-CB 3.4Å; A915-L919 VanDerWaalsContact O-CG 3.23Å; A915-L919 WeakPolarHBondContact O-CG 3.45Å; A915-L919 PolarHBondContact O-N 3.44Å
916	N	95.6	Very high	93.4	Very high	63 Å²	63	44.3 Å²	44.3	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-41	174.4	-70.6	0.7	0	0	0	112.6	M912 L914 L918 L920 A921	M912-N916 WeakPolarHBondContact O-CB 3.46Å; M912-N916 VanDerWaalsContact O-CG 3.27Å; M912-N916 PolarHBondContact O-N 2.97Å; M912-N916 PolarHBondContact O-OD1 3.07Å; L914-N916 VanDerWaalsContact C-N 3.28Å; L914-N916 PolarHBondContact O-N 3.46Å; N916-L918 VanDerWaalsContact C-N 3.27Å; N916-L918 PolarHBondContact O-N 2.88Å; N916-L920 HydrophobicContact CB-CD1 4.06Å; N916-L920 WeakPolarHBondContact O-CA 3.23Å; N916-L920 VanDerWaalsContact O-CB 3.29Å; N916-L920 WeakPolarHBondContact O-CB 3.36Å; N916-L920 PolarHBondContact O-N 2.73Å; N916-A921 PolarHBondContact O-N 3.34Å
917	E	95.6	Very high	93.6	Very high	67 Å²	67	44.4 Å²	44.4	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-38.1	172.3	-77.3	175.1	-144.9	0	0	112.2	P913 L914 A921 G922 R923	P913-E917 WeakPolarHBondContact O-CG 3.19Å; P913-E917 PolarHBondContact O-N 3.03Å; L914-E917 HydrophobicContact CD1-CB 4.25Å; L914-E917 PolarHBondContact O-N 3.45Å; E917-A921 CarbonylContact O-C 3.54Å; E917-A921 WeakPolarHBondContact O-CB 3.28Å; E917-G922 PolarHBondContact O-N 3.48Å; E917-R923 HydrophobicContact CB-CB 4.18Å; E917-R923 WeakPolarHBondContact O-CB 3.23Å; E917-R923 PolarHBondContact O-N 3.4Å; E917-R923 WeakPolarHBondContact OE2-CD 3.14Å; E917-R923 IonicContact OE2-CZ 3.75Å; E917-R923 IonicContact OE2-NE 2.76Å; E917-R923 IonicContact OE2-NH1 2.77Å; E917-R923 PolarHBondContact OE2-NH1 3.29Å
918	L	95.8	Very high	93.9	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-75.7	-47.9	179.4	-67.6	171.6	0	0	0	112.3	M889 L906 L914 A915 N916 G922 R923 L925	M889-L918 VanDerWaalsContact O-O 3.14Å; M889-L918 HydrophobicContact SD-CB 4.36Å; L906-L918 HydrophobicContact CD1-CD1 4.42Å; L906-L918 HydrophobicContact CD2-CB 4.23Å; L906-L918 HydrophobicContact CD2-CD1 3.99Å; L914-L918 HydrophobicContact CD1-CD1 4.28Å; L914-L918 HydrophobicContact CD1-CD2 4.48Å; L914-L918 HydrophobicContact CD1-CG 4.04Å; L914-L918 HydrophobicContact CD2-CD1 4.46Å; L914-L918 HydrophobicContact CG-CD1 3.93Å; L914-L918 HydrophobicContact CG-CG 4.18Å; L914-L918 WeakPolarHBondContact O-CB 3.4Å; L914-L918 VanDerWaalsContact O-CG 3.23Å; L914-L918 WeakPolarHBondContact O-CG 3.37Å; L914-L918 PolarHBondContact O-N 3.24Å; A915-L918 PolarHBondContact O-N 3.48Å; N916-L918 VanDerWaalsContact C-N 3.27Å; N916-L918 PolarHBondContact O-N 2.88Å; L918-G922 WeakPolarHBondContact O-CA 3.14Å; L918-R923 HydrophobicContact CD2-CB 4.48Å; L918-R923 WeakPolarHBondContact CD2-O 3.29Å; L918-L925 HydrophobicContact CD1-CD2 4.44Å; L918-L925 HydrophobicContact CD2-CB 4.04Å; L918-L925 HydrophobicContact CD2-CD1 4.41Å; L918-L925 HydrophobicContact CD2-CD2 4.41Å
919	L	96.2	Very high	94.3	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-85.2	-37.3	-171.2	-62.3	177.9	0	0	0	114	M889 Y891 P898 L906 A915	M889-L919 HydrophobicContact CE-CD2 3.67Å; M889-L919 HydrophobicContact SD-CD2 4.18Å; Y891-L919 HydrophobicContact CD2-CD2 3.97Å; Y891-L919 HydrophobicContact CE2-CD2 3.86Å; P898-L919 HydrophobicContact CB-CD2 4.04Å; P898-L919 HydrophobicContact CG-CB 4.25Å; P898-L919 HydrophobicContact CG-CD1 4.41Å; P898-L919 HydrophobicContact CG-CD2 4.11Å; P898-L919 HydrophobicContact CG-CG 4.49Å; L906-L919 HydrophobicContact CD2-CD1 4.22Å; L906-L919 HydrophobicContact CD2-CD2 3.96Å; L906-L919 HydrophobicContact CD2-CG 3.93Å; A915-L919 VanDerWaalsContact O-CB 3.29Å; A915-L919 WeakPolarHBondContact O-CB 3.4Å; A915-L919 VanDerWaalsContact O-CG 3.23Å; A915-L919 WeakPolarHBondContact O-CG 3.45Å; A915-L919 PolarHBondContact O-N 3.44Å
920	L	96	Very high	94.5	Very high	104 Å²	104	44.7 Å²	44.7	55%	0.545	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-42.9	-174.8	-53.1	178.5	0	0	0	111.7	T892 N916	T892-L920 WeakPolarHBondContact CG2-O 3.35Å; T892-L920 PolarHBondContact OG1-O 3.05Å; N916-L920 HydrophobicContact CB-CD1 4.06Å; N916-L920 WeakPolarHBondContact O-CA 3.23Å; N916-L920 VanDerWaalsContact O-CB 3.29Å; N916-L920 WeakPolarHBondContact O-CB 3.36Å; N916-L920 PolarHBondContact O-N 2.73Å
921	A	94.6	Very high	94.7	Very high	80 Å²	80	46.1 Å²	46.1	66%	0.661	24%	0.244	S	C	*	.	S	Bend	trans	-94.9	0.8	-179.1	0	0	0	0	0	114.1	N916 E917 R923	N916-A921 PolarHBondContact O-N 3.34Å; E917-A921 CarbonylContact O-C 3.54Å; E917-A921 WeakPolarHBondContact O-CB 3.28Å; A921-R923 VanDerWaalsContact C-N 3.27Å; A921-R923 PolarHBondContact O-N 2.92Å
922	G	92.8	Very high	94.9	Very high	14 Å²	14	52.8 Å²	52.8	14%	0.144	27%	0.271	C	S	.	.			trans	59.8	30.8	176.7	0	0	0	0	0	114.4	Y888 E917 L918 K924	Y888-G922 WeakPolarHBondContact CD2-O 3.41Å; Y888-G922 WeakPolarHBondContact CE2-O 3.5Å; E917-G922 PolarHBondContact O-N 3.48Å; L918-G922 WeakPolarHBondContact O-CA 3.14Å; G922-K924 PolarHBondContact O-N 3.38Å
923	R	94.1	Very high	94.9	Very high	83 Å²	83	52.7 Å²	52.7	31%	0.313	27%	0.266	S	S	.	.			trans	-61.4	133.5	-176.9	-179.7	177.3	166.9	174.5	-3.5	111.4	E917 L918 A921 E929	E917-R923 HydrophobicContact CB-CB 4.18Å; E917-R923 WeakPolarHBondContact O-CB 3.23Å; E917-R923 PolarHBondContact O-N 3.4Å; E917-R923 WeakPolarHBondContact OE2-CD 3.14Å; E917-R923 IonicContact OE2-CZ 3.75Å; E917-R923 IonicContact OE2-NE 2.76Å; E917-R923 IonicContact OE2-NH1 2.77Å; E917-R923 PolarHBondContact OE2-NH1 3.29Å; L918-R923 HydrophobicContact CD2-CB 4.48Å; L918-R923 WeakPolarHBondContact CD2-O 3.29Å; A921-R923 VanDerWaalsContact C-N 3.27Å; A921-R923 PolarHBondContact O-N 2.92Å; R923-E929 IonicContact CZ-OE1 2.73Å; R923-E929 IonicContact CZ-OE2 3.68Å; R923-E929 IonicContact NH1-OE1 3.21Å; R923-E929 IonicContact NH2-OE1 3.91Å; R923-E929 PolarHBondContact NH2-OE1 3.35Å; R923-E929 IonicContact NH2-OE2 3.23Å; R923-E929 PolarHBondContact NH2-OE2 3.01Å
924	K	94.6	Very high	94.8	Very high	99 Å²	99	51.9 Å²	51.9	43%	0.43	27%	0.267	S	S	.	.			trans	-79.3	131.3	169.2	-68.1	177.5	178.3	176	0	110.2	F887 Y888 G922 F1014	F887-K924 WeakPolarHBondContact O-CA 3.43Å; Y888-K924 HydrophobicContact CD1-CD 4.49Å; Y888-K924 HydrophobicContact CD1-CG 4.34Å; Y888-K924 HydrophobicContact CD2-CD 4.4Å; Y888-K924 HydrophobicContact CD2-CG 3.54Å; Y888-K924 HydrophobicContact CE2-CD 4.5Å; Y888-K924 HydrophobicContact CE2-CG 3.95Å; Y888-K924 HydrophobicContact CG-CD 4.4Å; Y888-K924 HydrophobicContact CG-CG 3.77Å; G922-K924 PolarHBondContact O-N 3.38Å; K924-F1014 HydrophobicContact CD-CD2 3.98Å; K924-F1014 HydrophobicContact CD-CE2 4.22Å; K924-F1014 HydrophobicContact CG-CE2 4.35Å
925	L	94.5	Very high	94.8	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137	-176.6	-161.5	72.6	0	0	0	110.9	T886 F887 L914 L918 E929 A930 L935	T886-L925 WeakPolarHBondContact CA-O 3.41Å; F887-L925 HydrophobicContact CB-CB 4.18Å; F887-L925 HydrophobicContact CD2-CB 4.48Å; F887-L925 PolarHBondContact N-O 3.31Å; F887-L925 PolarHBondContact O-N 2.85Å; L914-L925 HydrophobicContact CD1-CD1 4.29Å; L914-L925 HydrophobicContact CD2-CD1 4.38Å; L918-L925 HydrophobicContact CD1-CD2 4.44Å; L918-L925 HydrophobicContact CD2-CB 4.04Å; L918-L925 HydrophobicContact CD2-CD1 4.41Å; L918-L925 HydrophobicContact CD2-CD2 4.41Å; L925-E929 HydrophobicContact CD1-CB 3.99Å; L925-E929 HydrophobicContact CD1-CG 3.71Å; L925-E929 WeakPolarHBondContact CD1-OE2 3.33Å; L925-E929 HydrophobicContact CG-CB 4.34Å; L925-A930 HydrophobicContact CD2-CB 3.9Å; L925-A930 HydrophobicContact CG-CB 4.47Å; L925-L935 HydrophobicContact CD2-CD2 3.82Å
926	S	96.1	Very high	94.8	Very high	56 Å²	56	52.5 Å²	52.5	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	154.6	176.6	70.7	0	0	0	0	112.3	R928 E929 A930	S926-R928 PolarHBondContact O-N 3.2Å; S926-E929 PolarHBondContact O-N 3.18Å; S926-E929 VanDerWaalsContact O-N 3.08Å; S926-E929 WeakPolarHBondContact OG-CB 3.45Å; S926-E929 PolarHBondContact OG-N 2.67Å; S926-A930 WeakPolarHBondContact O-CB 3.38Å; S926-A930 PolarHBondContact O-N 3.08Å
927	A	96.4	Very high	94.8	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-46.7	-44.8	172.9	0	0	0	0	0	113.8	I881 S882 A885 A930 L931 L939	I881-A927 HydrophobicContact CD1-CB 4.06Å; I881-A927 WeakPolarHBondContact CD1-O 3.45Å; S882-A927 WeakPolarHBondContact O-CB 3.42Å; A885-A927 HydrophobicContact CB-CB 4.17Å; A885-A927 WeakPolarHBondContact O-CB 3.49Å; A885-A927 PolarHBondContact O-N 3.19Å; A927-A930 PolarHBondContact O-N 2.93Å; A927-L931 PolarHBondContact O-N 3.06Å; A927-L931 VanDerWaalsContact O-N 3.1Å; A927-L939 HydrophobicContact CB-CD2 3.96Å
928	R	95.1	Very high	94.8	Very high	149 Å²	149	50.8 Å²	50.8	56%	0.562	27%	0.27	S	S	*	.	H	α-helix	trans	-71.9	-34.9	-178.1	-62.9	-175.5	-176.7	-179.7	3.2	112.7	D883 S926 Q932 L939	D883-R928 WeakPolarHBondContact OD1-CG 3.32Å; D883-R928 IonicContact OD1-CZ 2.73Å; D883-R928 IonicContact OD1-NE 3.16Å; D883-R928 PolarHBondContact OD1-NE 3.11Å; D883-R928 IonicContact OD1-NH2 2.8Å; D883-R928 PolarHBondContact OD1-NH2 3.16Å; D883-R928 IonicContact OD2-CZ 2.61Å; D883-R928 IonicContact OD2-NE 3.28Å; D883-R928 IonicContact OD2-NH2 3.36Å; D883-R928 PolarHBondContact OD2-NH2 2.95Å; S926-R928 PolarHBondContact O-N 3.2Å; R928-Q932 VanDerWaalsContact O-CG 3.24Å; R928-Q932 WeakPolarHBondContact O-CG 3.39Å; R928-Q932 PolarHBondContact O-N 2.92Å; R928-Q932 VanDerWaalsContact O-N 3.12Å; R928-L939 HydrophobicContact CG-CD1 4.14Å
929	E	94.8	Very high	94.8	Very high	32 Å²	32	52.7 Å²	52.7	15%	0.15	28%	0.28	C	S	.	.	H	α-helix	trans	-71.9	-40.1	173.6	-165.6	172.2	-169.3	0	0	111.1	R923 L925 S926 L931 Q932 R933	R923-E929 IonicContact CZ-OE1 2.73Å; R923-E929 IonicContact CZ-OE2 3.68Å; R923-E929 IonicContact NH1-OE1 3.21Å; R923-E929 IonicContact NH2-OE1 3.91Å; R923-E929 PolarHBondContact NH2-OE1 3.35Å; R923-E929 IonicContact NH2-OE2 3.23Å; R923-E929 PolarHBondContact NH2-OE2 3.01Å; L925-E929 HydrophobicContact CD1-CB 3.99Å; L925-E929 HydrophobicContact CD1-CG 3.71Å; L925-E929 WeakPolarHBondContact CD1-OE2 3.33Å; L925-E929 HydrophobicContact CG-CB 4.34Å; S926-E929 PolarHBondContact O-N 3.18Å; S926-E929 VanDerWaalsContact O-N 3.08Å; S926-E929 WeakPolarHBondContact OG-CB 3.45Å; S926-E929 PolarHBondContact OG-N 2.67Å; E929-L931 VanDerWaalsContact C-N 3.32Å; E929-L931 PolarHBondContact O-N 2.9Å; E929-Q932 PolarHBondContact O-N 3.02Å; E929-Q932 VanDerWaalsContact O-N 3.09Å; E929-R933 HydrophobicContact CG-CG 3.89Å; E929-R933 WeakPolarHBondContact O-CB 3.23Å; E929-R933 WeakPolarHBondContact O-CG 3.34Å; E929-R933 PolarHBondContact O-N 3.4Å; E929-R933 IonicContact OE1-CZ 2.7Å; E929-R933 IonicContact OE1-NE 3.6Å; E929-R933 PolarHBondContact OE1-NE 3.28Å; E929-R933 IonicContact OE1-NH2 2.88Å; E929-R933 PolarHBondContact OE1-NH2 3.33Å
930	A	95.5	Very high	94.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.7	-44	174.2	0	0	0	0	0	112.4	I881 F887 L925 S926 A927 G934 L935 A936	I881-A930 HydrophobicContact CD1-CB 4.25Å; F887-A930 HydrophobicContact CD2-CB 3.87Å; F887-A930 HydrophobicContact CE2-CB 3.51Å; F887-A930 HydrophobicContact CZ-CB 4.3Å; L925-A930 HydrophobicContact CD2-CB 3.9Å; L925-A930 HydrophobicContact CG-CB 4.47Å; S926-A930 WeakPolarHBondContact O-CB 3.38Å; S926-A930 PolarHBondContact O-N 3.08Å; A927-A930 PolarHBondContact O-N 2.93Å; A930-G934 PolarHBondContact O-N 3.01Å; A930-L935 HydrophobicContact CB-CB 4.22Å; A930-L935 HydrophobicContact CB-CD2 4.23Å; A930-L935 PolarHBondContact O-N 3.42Å; A930-A936 PolarHBondContact O-N 3.05Å
931	L	95.4	Very high	94.7	Very high	51 Å²	51	54 Å²	54	27%	0.267	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-45	172.9	-178.7	64.2	0	0	0	112.3	I881 A927 E929 R933 G934 A936 L939	I881-L931 HydrophobicContact CD1-CB 4.41Å; A927-L931 PolarHBondContact O-N 3.06Å; A927-L931 VanDerWaalsContact O-N 3.1Å; E929-L931 VanDerWaalsContact C-N 3.32Å; E929-L931 PolarHBondContact O-N 2.9Å; L931-R933 VanDerWaalsContact C-N 3.28Å; L931-R933 PolarHBondContact O-N 3.44Å; L931-G934 PolarHBondContact O-N 3.12Å; L931-A936 WeakPolarHBondContact CD1-O 3.22Å; L931-L939 HydrophobicContact CB-CD1 4.4Å; L931-L939 HydrophobicContact CB-CG 4.49Å; L931-L939 HydrophobicContact CD2-CB 4.37Å; L931-L939 HydrophobicContact CD2-CD1 3.52Å; L931-L939 HydrophobicContact CD2-CG 3.81Å
932	Q	94.2	Very high	94.6	Very high	153 Å²	153	53.3 Å²	53.3	72%	0.715	27%	0.27	S	S	*	.	H	α-helix	trans	-64.1	-31.9	-179.7	-74.9	171	5.7	0	0	113.3	R928 E929	R928-Q932 VanDerWaalsContact O-CG 3.24Å; R928-Q932 WeakPolarHBondContact O-CG 3.39Å; R928-Q932 PolarHBondContact O-N 2.92Å; R928-Q932 VanDerWaalsContact O-N 3.12Å; E929-Q932 PolarHBondContact O-N 3.02Å; E929-Q932 VanDerWaalsContact O-N 3.09Å
933	R	93.1	Very high	94.6	Very high	89 Å²	89	62.4 Å²	62.4	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-89.3	-6.9	-178.7	-58.8	-75.1	-164.2	131.2	16.4	113.4	V910 L914 E929 L931	V910-R933 HydrophobicContact CB-CB 4.45Å; V910-R933 HydrophobicContact CG1-CB 4.37Å; L914-R933 HydrophobicContact CD2-CB 3.8Å; L914-R933 HydrophobicContact CD2-CG 3.47Å; L914-R933 VanDerWaalsContact CD2-CG 3.47Å; E929-R933 HydrophobicContact CG-CG 3.89Å; E929-R933 WeakPolarHBondContact O-CB 3.23Å; E929-R933 WeakPolarHBondContact O-CG 3.34Å; E929-R933 PolarHBondContact O-N 3.4Å; E929-R933 IonicContact OE1-CZ 2.7Å; E929-R933 IonicContact OE1-NE 3.6Å; E929-R933 PolarHBondContact OE1-NE 3.28Å; E929-R933 IonicContact OE1-NH2 2.88Å; E929-R933 PolarHBondContact OE1-NH2 3.33Å; L931-R933 VanDerWaalsContact C-N 3.28Å; L931-R933 PolarHBondContact O-N 3.44Å
934	G	91.2	Very high	94.6	Very high	33 Å²	33	60.5 Å²	60.5	34%	0.34	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	5.8	177.9	0	0	0	0	0	115.9	A930 L931 A936	A930-G934 PolarHBondContact O-N 3.01Å; L931-G934 PolarHBondContact O-N 3.12Å; G934-A936 PolarHBondContact O-N 3.48Å
935	L	93.8	Very high	94.6	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	29%	0.287	C	S	.	.	S	Bend	trans	-69.9	-18.5	174.6	-176	61.5	0	0	0	112.6	V870 L873 P874 F887 L906 L909 V910 L925 A930	V870-L935 HydrophobicContact CG1-CD2 4.31Å; L873-L935 HydrophobicContact CB-CD1 4.35Å; P874-L935 HydrophobicContact CG-CD1 4.45Å; F887-L935 HydrophobicContact CG-CD2 4.41Å; L906-L935 HydrophobicContact CD1-CD1 4.11Å; L909-L935 HydrophobicContact CD2-CD1 3.92Å; V910-L935 HydrophobicContact CG1-CB 4.11Å; L925-L935 HydrophobicContact CD2-CD2 3.82Å; A930-L935 HydrophobicContact CB-CB 4.22Å; A930-L935 HydrophobicContact CB-CD2 4.23Å; A930-L935 PolarHBondContact O-N 3.42Å
936	A	95.7	Very high	94.6	Very high	10 Å²	10	60.7 Å²	60.7	8%	0.083	31%	0.305	C	S	.	.			trans	-132.1	153.3	177.8	0	0	0	0	0	112.3	V879 I881 A930 L931 G934	V879-A936 HydrophobicContact CG1-CB 4.45Å; I881-A936 HydrophobicContact CB-CB 4.29Å; I881-A936 HydrophobicContact CD1-CB 3.5Å; I881-A936 HydrophobicContact CG1-CB 3.69Å; I881-A936 HydrophobicContact CG2-CB 3.56Å; A930-A936 PolarHBondContact O-N 3.05Å; L931-A936 WeakPolarHBondContact CD1-O 3.22Å; G934-A936 PolarHBondContact O-N 3.48Å
937	S	95	Very high	94.5	Very high	68 Å²	68	64 Å²	64	48%	0.476	32%	0.315	S	S	.	.	S	Bend	trans	-87.8	-37.1	-177.5	-44.9	0	0	0	0	113.4	V879	V879-S937 PolarHBondContact N-OG 3.4Å; V879-S937 VanDerWaalsContact N-OG 3.13Å; V879-S937 WeakPolarHBondContact O-CB 3.22Å; V879-S937 PolarHBondContact O-N 3.09Å; V879-S937 PolarHBondContact O-OG 2.96Å
938	D	96.1	Very high	94.4	Very high	26 Å²	26	66 Å²	66	14%	0.139	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	160	175	-158.9	9.6	0	0	0	112	Y880 I881 R952	Y880-D938 HydrophobicContact CD1-CB 3.94Å; Y880-D938 HydrophobicContact CE1-CB 4.03Å; I881-D938 PolarHBondContact N-O 2.83Å; I881-D938 VanDerWaalsContact N-O 3.17Å; D938-R952 IonicContact OD2-CZ 2.74Å; D938-R952 VanDerWaalsContact OD2-CZ 3.23Å; D938-R952 IonicContact OD2-NH1 3.38Å; D938-R952 PolarHBondContact OD2-NH1 2.77Å; D938-R952 IonicContact OD2-NH2 3.56Å; D938-R952 PolarHBondContact OD2-NH2 3.4Å
939	L	96.2	Very high	94.5	Very high	42 Å²	42	59 Å²	59	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.8	174.3	-83.3	159.5	0	0	0	111.5	I881 D883 A927 R928 L931	I881-L939 HydrophobicContact CD1-CD2 3.84Å; I881-L939 HydrophobicContact CD1-CG 4.28Å; I881-L939 HydrophobicContact CG1-CD2 3.81Å; I881-L939 HydrophobicContact CG1-CG 4.22Å; I881-L939 CarbonylContact O-C 3.58Å; I881-L939 WeakPolarHBondContact O-CA 3.4Å; D883-L939 HydrophobicContact CB-CD2 4.18Å; A927-L939 HydrophobicContact CB-CD2 3.96Å; R928-L939 HydrophobicContact CG-CD1 4.14Å; L931-L939 HydrophobicContact CB-CD1 4.4Å; L931-L939 HydrophobicContact CB-CG 4.49Å; L931-L939 HydrophobicContact CD2-CB 4.37Å; L931-L939 HydrophobicContact CD2-CD1 3.52Å; L931-L939 HydrophobicContact CD2-CG 3.81Å
940	L	96.1	Very high	94.5	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	149.1	171.9	-46.8	-170.7	0	0	0	110.1	Y880 I881 D883 F945 E948 L949	Y880-L940 HydrophobicContact CD1-CD2 4.46Å; Y880-L940 HydrophobicContact CG-CD2 4.49Å; I881-L940 PolarHBondContact O-N 2.88Å; D883-L940 PolarHBondContact N-O 2.97Å; L940-F945 HydrophobicContact CB-CD2 3.77Å; L940-F945 HydrophobicContact CB-CE2 4.18Å; L940-F945 HydrophobicContact CD1-CD2 3.89Å; L940-F945 HydrophobicContact CD1-CE2 3.79Å; L940-F945 HydrophobicContact CD1-CG 4.47Å; L940-F945 HydrophobicContact CD1-CZ 4.31Å; L940-F945 HydrophobicContact CG-CD2 4.29Å; L940-F945 HydrophobicContact CG-CE2 4.26Å; L940-E948 HydrophobicContact CD2-CG 4.12Å; L940-L949 HydrophobicContact CD1-CB 3.95Å
941	F	93.6	Very high	94.4	Very high	137 Å²	137	62.6 Å²	62.6	60%	0.601	32%	0.317	S	S	*	.			trans	-76.4	130.9	176.6	-72.3	-81.1	0	0	0	111.5	K943 S944 F945	F941-K943 PolarHBondContact O-N 3.14Å; F941-S944 CarbonylContact O-C 3.53Å; F941-S944 PolarHBondContact O-N 2.9Å; F941-F945 WeakPolarHBondContact O-CA 3.22Å; F941-F945 PolarHBondContact O-N 3.01Å
942	P	92	Very high	94.4	Very high	66 Å²	66	62.6 Å²	62.6	43%	0.429	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.2	-175.1	-25.4	27.9	0	0	0	114.8	S882 D883	S882-P942 WeakPolarHBondContact OG-CG 3.3Å; D883-P942 HydrophobicContact CB-CG 4.39Å
943	K	92.9	Very high	94.5	Very high	205 Å²	205	55.3 Å²	55.3	89%	0.891	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.5	-178.9	-65.8	-174.7	179.5	-179.2	0	114.7	F941	F941-K943 PolarHBondContact O-N 3.14Å
944	S	93.6	Very high	94.6	Very high	43 Å²	43	56.1 Å²	56.1	30%	0.301	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	10.2	-179.8	56.5	0	0	0	0	112.8	F941 K946 Q947 E948	F941-S944 CarbonylContact O-C 3.53Å; F941-S944 PolarHBondContact O-N 2.9Å; S944-K946 PolarHBondContact O-N 3.46Å; S944-Q947 VanDerWaalsContact C-OE1 3.25Å; S944-Q947 PolarHBondContact O-N 3.42Å; S944-Q947 VanDerWaalsContact O-N 3.13Å; S944-Q947 PolarHBondContact O-OE1 2.95Å; S944-E948 WeakPolarHBondContact O-CB 3.36Å; S944-E948 PolarHBondContact O-N 3.49Å
945	F	95.4	Very high	94.7	Very high	14 Å²	14	60.4 Å²	60.4	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-49.9	-53.4	-170.3	-178.9	-88.9	0	0	0	112.5	V861 N862 L940 F941 E948 L949	V861-F945 WeakPolarHBondContact O-CE2 3.47Å; N862-F945 HydrophobicContact CB-CD1 4.08Å; N862-F945 HydrophobicContact CB-CE1 3.8Å; N862-F945 HydrophobicContact CB-CZ 4.18Å; L940-F945 HydrophobicContact CB-CD2 3.77Å; L940-F945 HydrophobicContact CB-CE2 4.18Å; L940-F945 HydrophobicContact CD1-CD2 3.89Å; L940-F945 HydrophobicContact CD1-CE2 3.79Å; L940-F945 HydrophobicContact CD1-CG 4.47Å; L940-F945 HydrophobicContact CD1-CZ 4.31Å; L940-F945 HydrophobicContact CG-CD2 4.29Å; L940-F945 HydrophobicContact CG-CE2 4.26Å; F941-F945 WeakPolarHBondContact O-CA 3.22Å; F941-F945 PolarHBondContact O-N 3.01Å; F945-E948 PolarHBondContact O-N 3.42Å; F945-L949 HydrophobicContact CE1-CD2 3.94Å; F945-L949 HydrophobicContact CZ-CD2 4.39Å; F945-L949 WeakPolarHBondContact O-CB 3.36Å; F945-L949 PolarHBondContact O-N 3.35Å
946	K	93.9	Very high	94.8	Very high	90 Å²	90	62 Å²	62	39%	0.391	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-40.4	-178.4	-178.5	161	-175.3	144.2	0	112.5	W695 S944 L950	W695-K946 HydrophobicContact CH2-CB 4.39Å; W695-K946 HydrophobicContact CH2-CD 3.48Å; W695-K946 VanDerWaalsContact CH2-CD 3.48Å; W695-K946 HydrophobicContact CH2-CG 3.74Å; W695-K946 VanDerWaalsContact CH2-NZ 3.35Å; W695-K946 HydrophobicContact CZ2-CD 3.84Å; W695-K946 HydrophobicContact CZ2-CG 4.08Å; W695-K946 HydrophobicContact CZ3-CD 4.24Å; S944-K946 PolarHBondContact O-N 3.46Å; K946-L950 HydrophobicContact CG-CD1 3.82Å; K946-L950 HydrophobicContact CG-CG 4.47Å; K946-L950 VanDerWaalsContact O-CB 3.31Å; K946-L950 WeakPolarHBondContact O-CB 3.21Å; K946-L950 WeakPolarHBondContact O-CD1 3.31Å; K946-L950 WeakPolarHBondContact O-CG 3.38Å; K946-L950 PolarHBondContact O-N 3.29Å
947	Q	94.1	Very high	94.7	Very high	125 Å²	125	61.6 Å²	61.6	58%	0.584	30%	0.297	S	S	*	.	H	α-helix	trans	-66.7	-41.4	178.7	-62.8	85.1	-16.8	0	0	111.2	S944 L951	S944-Q947 VanDerWaalsContact C-OE1 3.25Å; S944-Q947 PolarHBondContact O-N 3.42Å; S944-Q947 VanDerWaalsContact O-N 3.13Å; S944-Q947 PolarHBondContact O-OE1 2.95Å; Q947-L951 WeakPolarHBondContact O-CB 3.45Å; Q947-L951 PolarHBondContact O-N 3Å; Q947-L951 VanDerWaalsContact O-N 3.08Å
948	E	95.3	Very high	94.7	Very high	47 Å²	47	64.8 Å²	64.8	22%	0.22	30%	0.304	C	S	.	.	H	α-helix	trans	-73.9	-42.3	-178.4	-161.5	180	161.5	0	0	112	L940 S944 F945 L951 R952	L940-E948 HydrophobicContact CD2-CG 4.12Å; S944-E948 WeakPolarHBondContact O-CB 3.36Å; S944-E948 PolarHBondContact O-N 3.49Å; F945-E948 PolarHBondContact O-N 3.42Å; E948-L951 PolarHBondContact O-N 3.34Å; E948-R952 WeakPolarHBondContact O-CG 3.36Å; E948-R952 PolarHBondContact O-N 3.07Å; E948-R952 IonicContact OE1-CZ 3.82Å; E948-R952 IonicContact OE1-NE 3.31Å; E948-R952 PolarHBondContact OE1-NE 2.86Å; E948-R952 IonicContact OE1-NH2 3.4Å; E948-R952 PolarHBondContact OE1-NH2 2.93Å
949	L	96.1	Very high	94.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.1	-53.1	172.3	-179.8	64.2	0	0	0	111.1	M731 V858 Y880 L940 F945 L951 R952 C953	M731-L949 HydrophobicContact CE-CD2 4.46Å; M731-L949 HydrophobicContact CG-CD2 4.33Å; M731-L949 HydrophobicContact CG-CG 4.39Å; M731-L949 HydrophobicContact SD-CD2 3.76Å; M731-L949 HydrophobicContact SD-CG 3.8Å; V858-L949 HydrophobicContact CG1-CD1 4.37Å; Y880-L949 HydrophobicContact CD2-CD1 3.79Å; Y880-L949 HydrophobicContact CG-CD1 4.48Å; L940-L949 HydrophobicContact CD1-CB 3.95Å; F945-L949 HydrophobicContact CE1-CD2 3.94Å; F945-L949 HydrophobicContact CZ-CD2 4.39Å; F945-L949 WeakPolarHBondContact O-CB 3.36Å; F945-L949 PolarHBondContact O-N 3.35Å; L949-L951 PolarHBondContact O-N 3.18Å; L949-R952 PolarHBondContact O-N 3.07Å; L949-R952 VanDerWaalsContact O-N 3.07Å; L949-C953 PolarHBondContact O-N 2.79Å; L949-C953 PolarHBondContact O-SG 3.44Å; L949-C953 VanDerWaalsContact O-SG 3.36Å
950	L	94.8	Very high	94.3	Very high	28 Å²	28	68.8 Å²	68.8	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-21.1	178.6	-68.2	171.6	0	0	0	113.3	F691 E693 M731 K946 R954	F691-L950 HydrophobicContact CE2-CD2 4.07Å; F691-L950 HydrophobicContact CZ-CD2 3.82Å; E693-L950 HydrophobicContact CG-CD2 3.92Å; M731-L950 HydrophobicContact CE-CD2 4.2Å; M731-L950 HydrophobicContact SD-CD2 3.78Å; K946-L950 HydrophobicContact CG-CD1 3.82Å; K946-L950 HydrophobicContact CG-CG 4.47Å; K946-L950 VanDerWaalsContact O-CB 3.31Å; K946-L950 WeakPolarHBondContact O-CB 3.21Å; K946-L950 WeakPolarHBondContact O-CD1 3.31Å; K946-L950 WeakPolarHBondContact O-CG 3.38Å; K946-L950 PolarHBondContact O-N 3.29Å; L950-R954 WeakPolarHBondContact O-CG 3.3Å; L950-R954 PolarHBondContact O-N 3.25Å; L950-R954 PolarHBondContact O-NE 3.36Å
951	L	94.7	Very high	94	Very high	81 Å²	81	70.1 Å²	70.1	42%	0.424	34%	0.341	S	S	.	.	H	α-helix	trans	-77.9	-40	171	-177.3	62.5	0	0	0	111.6	Q947 E948 L949 K955	Q947-L951 WeakPolarHBondContact O-CB 3.45Å; Q947-L951 PolarHBondContact O-N 3Å; Q947-L951 VanDerWaalsContact O-N 3.08Å; E948-L951 PolarHBondContact O-N 3.34Å; L949-L951 PolarHBondContact O-N 3.18Å; L951-K955 WeakPolarHBondContact O-CG 3.44Å; L951-K955 PolarHBondContact O-N 3.29Å
952	R	95.4	Very high	93.9	Very high	50 Å²	50	68 Å²	68	19%	0.189	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-43.6	176.3	-69.7	166.2	-179.6	-114	8.2	111.5	Y880 D938 E948 L949 R954 K955 L956	Y880-R952 HydrophobicContact CD2-CB 4.49Å; Y880-R952 VanDerWaalsContact CE1-NH1 3.29Å; Y880-R952 HydrophobicContact CE2-CB 3.78Å; Y880-R952 HydrophobicContact CE2-CG 4.37Å; D938-R952 IonicContact OD2-CZ 2.74Å; D938-R952 VanDerWaalsContact OD2-CZ 3.23Å; D938-R952 IonicContact OD2-NH1 3.38Å; D938-R952 PolarHBondContact OD2-NH1 2.77Å; D938-R952 IonicContact OD2-NH2 3.56Å; D938-R952 PolarHBondContact OD2-NH2 3.4Å; E948-R952 WeakPolarHBondContact O-CG 3.36Å; E948-R952 PolarHBondContact O-N 3.07Å; E948-R952 IonicContact OE1-CZ 3.82Å; E948-R952 IonicContact OE1-NE 3.31Å; E948-R952 PolarHBondContact OE1-NE 2.86Å; E948-R952 IonicContact OE1-NH2 3.4Å; E948-R952 PolarHBondContact OE1-NH2 2.93Å; L949-R952 PolarHBondContact O-N 3.07Å; L949-R952 VanDerWaalsContact O-N 3.07Å; R952-R954 PolarHBondContact O-N 3.21Å; R952-K955 PolarHBondContact O-N 3.23Å; R952-L956 PolarHBondContact O-N 2.91Å
953	C	95.6	Very high	94	Very high	1 Å²	1	68 Å²	68	1%	0.007	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-41.6	176.4	-64.8	0	0	0	0	112.9	F691 L729 L949 L956 A957	F691-C953 HydrophobicContact CD1-CB 4.5Å; F691-C953 HydrophobicContact CD2-CB 4.04Å; F691-C953 HydrophobicContact CE1-CB 4.2Å; F691-C953 HydrophobicContact CE2-CB 3.65Å; F691-C953 HydrophobicContact CG-CB 4.45Å; F691-C953 HydrophobicContact CZ-CB 3.76Å; L729-C953 HydrophobicContact CD1-CB 4.41Å; L949-C953 PolarHBondContact O-N 2.79Å; L949-C953 PolarHBondContact O-SG 3.44Å; L949-C953 VanDerWaalsContact O-SG 3.36Å; C953-L956 PolarHBondContact O-N 3.45Å; C953-A957 WeakPolarHBondContact O-CB 3.22Å; C953-A957 PolarHBondContact O-N 3.39Å
954	R	94.6	Very high	94	Very high	106 Å²	106	59.4 Å²	59.4	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-49.5	174.3	-80.1	178.8	-75.8	174	0.4	112.2	F691 L950 R952 L956 A957 E958	F691-R954 HydrophobicContact CE1-CG 3.72Å; L950-R954 WeakPolarHBondContact O-CG 3.3Å; L950-R954 PolarHBondContact O-N 3.25Å; L950-R954 PolarHBondContact O-NE 3.36Å; R952-R954 PolarHBondContact O-N 3.21Å; R954-L956 PolarHBondContact O-N 3.38Å; R954-A957 CarbonylContact O-C 3.54Å; R954-A957 PolarHBondContact O-N 3.05Å; R954-E958 WeakPolarHBondContact O-CG 3.32Å; R954-E958 PolarHBondContact O-N 2.83Å
955	K	94.5	Very high	94	Very high	123 Å²	123	57.4 Å²	57.4	54%	0.535	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-27.5	177.4	-72.3	-176.6	175.2	-167	0	114.2	L951 R952 N959	L951-K955 WeakPolarHBondContact O-CG 3.44Å; L951-K955 PolarHBondContact O-N 3.29Å; R952-K955 PolarHBondContact O-N 3.23Å; K955-N959 PolarHBondContact O-ND2 3.22Å
956	L	95	Very high	93.9	Very high	37 Å²	37	58.6 Å²	58.6	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-78.6	-41.6	172.7	-173.4	57.3	0	0	0	111.5	L729 V858 I878 R952 C953 R954 E958 N959 L964	L729-L956 HydrophobicContact CD2-CB 3.75Å; L729-L956 HydrophobicContact CD2-CD2 3.89Å; L729-L956 HydrophobicContact CD2-CG 3.64Å; V858-L956 HydrophobicContact CG2-CD2 3.88Å; I878-L956 HydrophobicContact CD1-CD2 3.53Å; R952-L956 PolarHBondContact O-N 2.91Å; C953-L956 PolarHBondContact O-N 3.45Å; R954-L956 PolarHBondContact O-N 3.38Å; L956-E958 VanDerWaalsContact C-N 3.26Å; L956-E958 PolarHBondContact O-N 2.91Å; L956-N959 PolarHBondContact O-N 2.92Å; L956-N959 PolarHBondContact O-ND2 2.68Å; L956-L964 HydrophobicContact CD1-CD2 3.83Å; L956-L964 HydrophobicContact CG-CD2 4.49Å
957	A	94.4	Very high	94	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-20.9	176.4	0	0	0	0	0	113.7	G689 F691 R728 L729 C953 R954 N959	G689-A957 WeakPolarHBondContact O-CB 3.39Å; F691-A957 HydrophobicContact CB-CB 4.43Å; F691-A957 HydrophobicContact CD1-CB 4.44Å; R728-A957 WeakPolarHBondContact CD-O 3.45Å; R728-A957 PolarHBondContact NH1-O 3.36Å; L729-A957 HydrophobicContact CD2-CB 3.88Å; L729-A957 HydrophobicContact CG-CB 4.38Å; C953-A957 WeakPolarHBondContact O-CB 3.22Å; C953-A957 PolarHBondContact O-N 3.39Å; R954-A957 CarbonylContact O-C 3.54Å; R954-A957 PolarHBondContact O-N 3.05Å; A957-N959 PolarHBondContact O-N 3.46Å
958	E	93.5	Very high	94	Very high	134 Å²	134	52.5 Å²	52.5	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.3	172.8	-77.4	155.8	-149.6	0	0	112.9	R728 R954 L956	R728-E958 PolarHBondContact NH1-O 3.37Å; R954-E958 WeakPolarHBondContact O-CG 3.32Å; R954-E958 PolarHBondContact O-N 2.83Å; L956-E958 VanDerWaalsContact C-N 3.26Å; L956-E958 PolarHBondContact O-N 2.91Å
959	N	93.5	Very high	93.8	Very high	83 Å²	83	51 Å²	51	44%	0.444	26%	0.264	S	S	.	.	S	Bend	trans	-76	167.8	-177.8	-56.8	-81	0	0	0	113.9	R728 K955 L956 A957 C961 L964	R728-N959 PolarHBondContact NH1-O 3.22Å; K955-N959 PolarHBondContact O-ND2 3.22Å; L956-N959 PolarHBondContact O-N 2.92Å; L956-N959 PolarHBondContact O-ND2 2.68Å; A957-N959 PolarHBondContact O-N 3.46Å; N959-C961 PolarHBondContact O-N 3.15Å; N959-L964 HydrophobicContact CB-CD1 4.36Å; N959-L964 HydrophobicContact CB-CG 4.42Å
960	S	92.3	Very high	93.5	Very high	69 Å²	69	55.2 Å²	55.2	48%	0.483	29%	0.285	S	S	.	.			trans	-62.9	128.8	178.6	173.5	0	0	0	0	112.5	S963 L964	S960-S963 PolarHBondContact O-N 3.29Å; S960-L964 WeakPolarHBondContact O-CG 3.14Å; S960-L964 PolarHBondContact O-N 3Å
961	C	89.7	Confident	93.3	Very high	30 Å²	30	60.5 Å²	60.5	20%	0.203	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-47.5	179.8	-147.9	0	0	0	0	111.5	R728 N959 S963 L964 E965	R728-C961 HydrophobicContact CG-CB 4.24Å; N959-C961 PolarHBondContact O-N 3.15Å; C961-S963 VanDerWaalsContact C-N 3.31Å; C961-S963 PolarHBondContact O-N 2.96Å; C961-L964 PolarHBondContact O-N 3.01Å; C961-L964 VanDerWaalsContact O-N 3.16Å; C961-E965 WeakPolarHBondContact O-CB 3.25Å; C961-E965 WeakPolarHBondContact O-CG 3.27Å; C961-E965 PolarHBondContact O-N 3.07Å; C961-E965 PolarHBondContact SG-OE1 3.32Å
962	M	90.5	Very high	92.9	Very high	92 Å²	92	58.8 Å²	58.8	45%	0.453	30%	0.3	S	S	.	.	H	α-helix	trans	-53.3	-46.9	174	175.3	-177.7	-168.3	0	0	111.9	F634 L964 E965 I966	F634-M962 HydrophobicContact CB-CB 4.39Å; F634-M962 HydrophobicContact CD1-CB 4.24Å; F634-M962 HydrophobicContact CD1-CG 4.29Å; F634-M962 HydrophobicContact CD2-CB 3.75Å; F634-M962 HydrophobicContact CD2-CG 3.74Å; F634-M962 HydrophobicContact CD2-SD 4.3Å; F634-M962 HydrophobicContact CE1-CG 4.09Å; F634-M962 HydrophobicContact CE2-CB 4.11Å; F634-M962 HydrophobicContact CE2-CE 3.85Å; F634-M962 HydrophobicContact CE2-CG 3.54Å; F634-M962 HydrophobicContact CE2-SD 3.92Å; F634-M962 HydrophobicContact CG-CB 3.85Å; F634-M962 HydrophobicContact CG-CG 4.14Å; F634-M962 HydrophobicContact CZ-CB 4.49Å; F634-M962 HydrophobicContact CZ-CE 4.07Å; F634-M962 HydrophobicContact CZ-CG 3.73Å; F634-M962 HydrophobicContact CZ-SD 4.47Å; M962-L964 PolarHBondContact O-N 3.21Å; M962-E965 PolarHBondContact O-N 3.26Å; M962-I966 HydrophobicContact CE-CD1 3.7Å; M962-I966 HydrophobicContact CG-CD1 3.62Å; M962-I966 HydrophobicContact CG-CG1 4.4Å; M962-I966 WeakPolarHBondContact O-CB 3.44Å; M962-I966 VanDerWaalsContact O-CG1 3.28Å; M962-I966 WeakPolarHBondContact O-CG1 3.49Å; M962-I966 PolarHBondContact O-N 2.89Å
963	S	93.7	Very high	92.4	Very high	67 Å²	67	56.8 Å²	56.8	47%	0.469	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-40.3	179.7	-179	0	0	0	0	112.1	S960 C961 T967	S960-S963 PolarHBondContact O-N 3.29Å; C961-S963 VanDerWaalsContact C-N 3.31Å; C961-S963 PolarHBondContact O-N 2.96Å; S963-T967 WeakPolarHBondContact O-CB 3.36Å; S963-T967 PolarHBondContact O-N 2.87Å; S963-T967 PolarHBondContact O-OG1 3.45Å
964	L	94.3	Very high	91.8	Very high	24 Å²	24	61.3 Å²	61.3	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-46	176.9	-69.8	173	0	0	0	112.3	P856 L956 N959 S960 C961 M962 K968	P856-L964 HydrophobicContact CG-CB 3.91Å; P856-L964 HydrophobicContact CG-CD2 4.28Å; P856-L964 HydrophobicContact CG-CG 4.47Å; L956-L964 HydrophobicContact CD1-CD2 3.83Å; L956-L964 HydrophobicContact CG-CD2 4.49Å; N959-L964 HydrophobicContact CB-CD1 4.36Å; N959-L964 HydrophobicContact CB-CG 4.42Å; S960-L964 WeakPolarHBondContact O-CG 3.14Å; S960-L964 PolarHBondContact O-N 3Å; C961-L964 PolarHBondContact O-N 3.01Å; C961-L964 VanDerWaalsContact O-N 3.16Å; M962-L964 PolarHBondContact O-N 3.21Å; L964-K968 WeakPolarHBondContact O-CB 3.38Å; L964-K968 PolarHBondContact O-N 3.27Å; L964-K968 VanDerWaalsContact O-N 3.1Å
965	E	93.7	Very high	91.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-47.1	-179	-72.8	174.8	-156.8	0	0	111.7	P633 F634 K855 C961 M962 K968 C969	P633-E965 VanDerWaalsContact CD-OE2 3.27Å; P633-E965 WeakPolarHBondContact CD-OE2 3.14Å; F634-E965 HydrophobicContact CD1-CB 4.14Å; F634-E965 WeakPolarHBondContact CD1-OE2 3.37Å; F634-E965 PolarHBondContact N-OE2 2.72Å; K855-E965 WeakPolarHBondContact CE-OE1 3.38Å; K855-E965 HydrophobicContact CG-CG 3.91Å; K855-E965 WeakPolarHBondContact CG-OE1 3.4Å; C961-E965 WeakPolarHBondContact O-CB 3.25Å; C961-E965 WeakPolarHBondContact O-CG 3.27Å; C961-E965 PolarHBondContact O-N 3.07Å; C961-E965 PolarHBondContact SG-OE1 3.32Å; M962-E965 PolarHBondContact O-N 3.26Å; E965-K968 PolarHBondContact O-N 3.4Å; E965-C969 WeakPolarHBondContact O-CB 3.3Å; E965-C969 PolarHBondContact O-N 3.32Å
966	I	93.3	Very high	91.1	Very high	39 Å²	39	56.2 Å²	56.2	20%	0.2	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-47.7	176.1	-68.1	174.7	0	0	0	111	M629 L632 F634 M962 K968 C969 M970	M629-I966 HydrophobicContact CE-CD1 4.12Å; M629-I966 HydrophobicContact CE-CG1 3.95Å; M629-I966 HydrophobicContact CE-CG2 3.9Å; M629-I966 HydrophobicContact SD-CG2 4.37Å; L632-I966 HydrophobicContact CD1-CG1 3.88Å; F634-I966 HydrophobicContact CE1-CD1 3.98Å; F634-I966 HydrophobicContact CE1-CG1 3.7Å; F634-I966 HydrophobicContact CZ-CD1 3.79Å; F634-I966 HydrophobicContact CZ-CG1 4.04Å; M962-I966 HydrophobicContact CE-CD1 3.7Å; M962-I966 HydrophobicContact CG-CD1 3.62Å; M962-I966 HydrophobicContact CG-CG1 4.4Å; M962-I966 WeakPolarHBondContact O-CB 3.44Å; M962-I966 VanDerWaalsContact O-CG1 3.28Å; M962-I966 WeakPolarHBondContact O-CG1 3.49Å; M962-I966 PolarHBondContact O-N 2.89Å; I966-K968 VanDerWaalsContact C-N 3.28Å; I966-K968 PolarHBondContact O-N 2.63Å; I966-C969 WeakPolarHBondContact O-CB 3.45Å; I966-C969 PolarHBondContact O-N 2.71Å; I966-C969 VanDerWaalsContact O-N 3.12Å; I966-M970 HydrophobicContact CG2-CG 4.1Å; I966-M970 VanDerWaalsContact O-CG 3.3Å; I966-M970 WeakPolarHBondContact O-CG 3.24Å; I966-M970 PolarHBondContact O-N 3.13Å
967	T	94.4	Very high	90.7	Very high	74 Å²	74	58.5 Å²	58.5	45%	0.454	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-42.1	-179.1	-57.2	0	0	0	0	110.9	S963 M971	S963-T967 WeakPolarHBondContact O-CB 3.36Å; S963-T967 PolarHBondContact O-N 2.87Å; S963-T967 PolarHBondContact O-OG1 3.45Å; T967-M971 HydrophobicContact CG2-SD 4.05Å; T967-M971 WeakPolarHBondContact O-CB 3.35Å; T967-M971 VanDerWaalsContact O-CG 3.27Å; T967-M971 WeakPolarHBondContact O-CG 3.16Å; T967-M971 PolarHBondContact O-N 3.47Å; T967-M971 VanDerWaalsContact O-N 3.12Å
968	K	94.4	Very high	90.6	Very high	12 Å²	12	64.1 Å²	64.1	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-42.8	175.1	175.5	168	172.9	169.8	0	112.4	F853 K855 D877 L964 E965 I966 M971 K972	F853-K968 WeakPolarHBondContact O-CE 3.5Å; F853-K968 PolarHBondContact O-NZ 2.76Å; K855-K968 WeakPolarHBondContact O-CD 3.5Å; K855-K968 PolarHBondContact O-NZ 3.24Å; D877-K968 VanDerWaalsContact OD1-CD 3.3Å; D877-K968 WeakPolarHBondContact OD1-CD 3.48Å; D877-K968 WeakPolarHBondContact OD1-CE 3.48Å; D877-K968 IonicContact OD1-NZ 2.72Å; D877-K968 PolarHBondContact OD1-NZ 3.23Å; D877-K968 WeakPolarHBondContact OD2-CE 3.11Å; D877-K968 IonicContact OD2-NZ 3.72Å; D877-K968 PolarHBondContact OD2-NZ 3.12Å; L964-K968 WeakPolarHBondContact O-CB 3.38Å; L964-K968 PolarHBondContact O-N 3.27Å; L964-K968 VanDerWaalsContact O-N 3.1Å; E965-K968 PolarHBondContact O-N 3.4Å; I966-K968 VanDerWaalsContact C-N 3.28Å; I966-K968 PolarHBondContact O-N 2.63Å; K968-M971 PolarHBondContact O-N 3.44Å; K968-K972 HydrophobicContact CG-CD 4.45Å; K968-K972 PolarHBondContact O-N 3.1Å
969	C	90.9	Very high	90.6	Very high	16 Å²	16	58.9 Å²	58.9	11%	0.108	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-58.3	177.1	-165.1	0	0	0	0	110.4	M629 L632 E965 I966 M971 K972 M973	M629-C969 HydrophobicContact SD-CB 4.49Å; L632-C969 HydrophobicContact CD1-CB 4.01Å; L632-C969 HydrophobicContact CD2-CB 4.11Å; E965-C969 WeakPolarHBondContact O-CB 3.3Å; E965-C969 PolarHBondContact O-N 3.32Å; I966-C969 WeakPolarHBondContact O-CB 3.45Å; I966-C969 PolarHBondContact O-N 2.71Å; I966-C969 VanDerWaalsContact O-N 3.12Å; C969-M971 PolarHBondContact O-N 3.05Å; C969-M971 VanDerWaalsContact O-N 3.16Å; C969-K972 PolarHBondContact O-N 3.24Å; C969-M973 WeakPolarHBondContact O-CG 3.5Å; C969-M973 PolarHBondContact O-N 3.04Å
970	M	90.5	Very high	90.6	Very high	89 Å²	89	57.3 Å²	57.3	44%	0.438	29%	0.29	S	S	.	.	H	α-helix	trans	-52.5	-40	178.5	-65	-64	-66.7	0	0	113	F625 M629 I966 M973	F625-M970 HydrophobicContact CE2-CE 4.02Å; F625-M970 HydrophobicContact CE2-SD 3.57Å; F625-M970 VanDerWaalsContact CE2-SD 3.57Å; F625-M970 HydrophobicContact CZ-CE 4.45Å; F625-M970 HydrophobicContact CZ-SD 3.95Å; M629-M970 HydrophobicContact SD-SD 4.45Å; I966-M970 HydrophobicContact CG2-CG 4.1Å; I966-M970 VanDerWaalsContact O-CG 3.3Å; I966-M970 WeakPolarHBondContact O-CG 3.24Å; I966-M970 PolarHBondContact O-N 3.13Å; M970-M973 HydrophobicContact SD-SD 4.21Å
971	M	89.6	Confident	90.7	Very high	138 Å²	138	62 Å²	62	68%	0.68	30%	0.298	S	S	*	.	H	α-helix	trans	-72	-32.5	178.1	-74.8	177.5	61.1	0	0	114	T967 K968 C969	T967-M971 HydrophobicContact CG2-SD 4.05Å; T967-M971 WeakPolarHBondContact O-CB 3.35Å; T967-M971 VanDerWaalsContact O-CG 3.27Å; T967-M971 WeakPolarHBondContact O-CG 3.16Å; T967-M971 PolarHBondContact O-N 3.47Å; T967-M971 VanDerWaalsContact O-N 3.12Å; K968-M971 PolarHBondContact O-N 3.44Å; C969-M971 PolarHBondContact O-N 3.05Å; C969-M971 VanDerWaalsContact O-N 3.16Å
972	K	87.5	Confident	91	Very high	46 Å²	46	61.5 Å²	61.5	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-91.3	-29.4	-177	-74.5	-160.8	171.2	-162.9	0	114	L875 D877 K968 C969 Q974 H975 R976	L875-K972 PolarHBondContact O-NZ 2.83Å; D877-K972 VanDerWaalsContact OD1-CE 3.22Å; D877-K972 WeakPolarHBondContact OD1-CE 3.44Å; D877-K972 IonicContact OD1-NZ 2.99Å; K968-K972 HydrophobicContact CG-CD 4.45Å; K968-K972 PolarHBondContact O-N 3.1Å; C969-K972 PolarHBondContact O-N 3.24Å; K972-Q974 VanDerWaalsContact C-N 3.3Å; K972-Q974 PolarHBondContact O-N 3.2Å; K972-H975 PolarHBondContact O-N 3.36Å; K972-H975 VanDerWaalsContact O-N 3.09Å; K972-R976 WeakPolarHBondContact O-CB 3.3Å; K972-R976 PolarHBondContact O-N 3.41Å
973	M	84.2	Confident	91.3	Very high	7 Å²	7	57.1 Å²	57.1	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-46.8	-49.2	-176.7	-78.5	160.3	122.1	0	0	113.2	L620 F625 Q628 M629 C969 M970 H975 R976	L620-M973 HydrophobicContact CD1-CB 4.49Å; L620-M973 HydrophobicContact CD2-CB 4.09Å; F625-M973 HydrophobicContact CB-CE 4.13Å; F625-M973 HydrophobicContact CD2-CE 3.35Å; F625-M973 HydrophobicContact CD2-SD 4.06Å; F625-M973 HydrophobicContact CE2-CE 3.91Å; F625-M973 HydrophobicContact CE2-SD 4.21Å; F625-M973 HydrophobicContact CG-CE 3.89Å; Q628-M973 HydrophobicContact CB-CE 3.95Å; M629-M973 HydrophobicContact CG-CE 4.23Å; C969-M973 WeakPolarHBondContact O-CG 3.5Å; C969-M973 PolarHBondContact O-N 3.04Å; M970-M973 HydrophobicContact SD-SD 4.21Å; M973-H975 PolarHBondContact O-N 3.07Å; M973-R976 PolarHBondContact O-N 3.22Å
974	Q	82.9	Confident	91.4	Very high	96 Å²	96	56.8 Å²	56.8	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-20.6	-175.9	-66.3	-178.9	-3.6	0	0	115.3	A617 S618 L620 K972	A617-Q974 HydrophobicContact CB-CB 4.07Å; S618-Q974 PolarHBondContact N-O 2.93Å; L620-Q974 HydrophobicContact CD1-CG 4.15Å; K972-Q974 VanDerWaalsContact C-N 3.3Å; K972-Q974 PolarHBondContact O-N 3.2Å
975	H	85.6	Confident	91.5	Very high	56 Å²	56	57.8 Å²	57.8	26%	0.259	28%	0.277	S	S	.	.	H	α-helix	trans	-121.1	-10.1	-175.8	-63.2	-69.8	0	0	0	113.5	Y904 K972 M973 E977 R978 I979	Y904-H975 HydrophobicContact CE1-CB 4.39Å; Y904-H975 AromaticContact CZ-ND1 3.94Å; Y904-H975 PolarHBondContact OH-ND1 2.88Å; K972-H975 PolarHBondContact O-N 3.36Å; K972-H975 VanDerWaalsContact O-N 3.09Å; M973-H975 PolarHBondContact O-N 3.07Å; H975-E977 PolarHBondContact O-N 2.88Å; H975-R978 PolarHBondContact O-N 3.01Å; H975-I979 HydrophobicContact CB-CD1 3.83Å; H975-I979 HydrophobicContact CB-CG1 4.4Å; H975-I979 WeakPolarHBondContact O-CG1 3.26Å; H975-I979 PolarHBondContact O-N 3.4Å
976	R	88.8	Confident	91.7	Very high	67 Å²	67	58.1 Å²	58.1	25%	0.253	28%	0.278	S	S	.	.	H	α-helix	trans	-58.2	-56.4	-165.8	-179.9	173.6	175.2	171.3	-3.5	112.9	V851 K972 M973 R978 I979 E980	V851-R976 HydrophobicContact CG1-CG 4.29Å; K972-R976 WeakPolarHBondContact O-CB 3.3Å; K972-R976 PolarHBondContact O-N 3.41Å; M973-R976 PolarHBondContact O-N 3.22Å; R976-R978 VanDerWaalsContact C-N 3.26Å; R976-R978 PolarHBondContact O-N 3.4Å; R976-I979 PolarHBondContact O-N 2.8Å; R976-I979 VanDerWaalsContact O-N 3.13Å; R976-E980 HydrophobicContact CG-CG 4.48Å; R976-E980 IonicContact CZ-OE1 2.76Å; R976-E980 VanDerWaalsContact CZ-OE1 3.32Å; R976-E980 IonicContact NE-OE1 2.87Å; R976-E980 PolarHBondContact NE-OE1 3.06Å; R976-E980 IonicContact NH2-OE1 2.71Å; R976-E980 PolarHBondContact NH2-OE1 2.99Å; R976-E980 WeakPolarHBondContact O-CG 3.5Å; R976-E980 PolarHBondContact O-N 3.31Å
977	E	88.2	Confident	91.8	Very high	85 Å²	85	56.6 Å²	56.6	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-56.7	-41.5	-178.9	-61	165.8	166.3	0	0	111.6	S618 H975 E980 Y981	S618-E977 VanDerWaalsContact CB-OE2 3.23Å; S618-E977 WeakPolarHBondContact CB-OE2 3.28Å; S618-E977 PolarHBondContact OG-OE2 3.12Å; H975-E977 PolarHBondContact O-N 2.88Å; E977-E980 PolarHBondContact O-N 3.13Å; E977-Y981 WeakPolarHBondContact O-CB 3.44Å; E977-Y981 PolarHBondContact O-N 3.33Å
978	R	90.3	Very high	91.9	Very high	121 Å²	121	60 Å²	60	46%	0.457	28%	0.28	S	S	.	.	H	α-helix	trans	-70.7	-35.2	179.9	-168	160.7	-173.7	128.1	8.3	112.4	Y904 H975 R976 V982	Y904-R978 HydrophobicContact CD2-CG 4.4Å; Y904-R978 HydrophobicContact CE1-CB 4.44Å; Y904-R978 HydrophobicContact CE1-CG 4.28Å; Y904-R978 HydrophobicContact CE2-CG 4.01Å; H975-R978 PolarHBondContact O-N 3.01Å; R976-R978 VanDerWaalsContact C-N 3.26Å; R976-R978 PolarHBondContact O-N 3.4Å; R978-V982 WeakPolarHBondContact O-CB 3.28Å; R978-V982 WeakPolarHBondContact O-CG2 3.29Å; R978-V982 PolarHBondContact O-N 2.99Å
979	I	93.7	Very high	91.9	Very high	23 Å²	23	64.2 Å²	64.2	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-45.2	172.1	-69	166.6	0	0	0	110.3	V851 L875 A901 Y904 T905 H975 R976 V982 I983	V851-I979 HydrophobicContact CG1-CG2 4.09Å; V851-I979 HydrophobicContact CG2-CG2 3.58Å; L875-I979 HydrophobicContact CD2-CG2 3.97Å; A901-I979 HydrophobicContact CB-CG2 3.97Å; Y904-I979 HydrophobicContact CD1-CG1 3.84Å; Y904-I979 HydrophobicContact CE1-CG1 3.94Å; T905-I979 HydrophobicContact CG2-CD1 4.12Å; T905-I979 HydrophobicContact CG2-CG1 4.05Å; H975-I979 HydrophobicContact CB-CD1 3.83Å; H975-I979 HydrophobicContact CB-CG1 4.4Å; H975-I979 WeakPolarHBondContact O-CG1 3.26Å; H975-I979 PolarHBondContact O-N 3.4Å; R976-I979 PolarHBondContact O-N 2.8Å; R976-I979 VanDerWaalsContact O-N 3.13Å; I979-V982 PolarHBondContact O-N 3.45Å; I979-I983 HydrophobicContact CG2-CD1 3.87Å; I979-I983 WeakPolarHBondContact O-CG1 3.46Å; I979-I983 PolarHBondContact O-N 3.26Å
980	E	94	Very high	92.1	Very high	51 Å²	51	63.5 Å²	63.5	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-42.5	177.6	-68.3	-177.9	-170.8	0	0	111.5	L848 V851 R976 E977 I983 N984	L848-E980 HydrophobicContact CD2-CB 3.97Å; L848-E980 HydrophobicContact CD2-CG 3.86Å; V851-E980 HydrophobicContact CG1-CG 3.94Å; R976-E980 HydrophobicContact CG-CG 4.48Å; R976-E980 IonicContact CZ-OE1 2.76Å; R976-E980 VanDerWaalsContact CZ-OE1 3.32Å; R976-E980 IonicContact NE-OE1 2.87Å; R976-E980 PolarHBondContact NE-OE1 3.06Å; R976-E980 IonicContact NH2-OE1 2.71Å; R976-E980 PolarHBondContact NH2-OE1 2.99Å; R976-E980 WeakPolarHBondContact O-CG 3.5Å; R976-E980 PolarHBondContact O-N 3.31Å; E977-E980 PolarHBondContact O-N 3.13Å; E980-I983 PolarHBondContact O-N 3.24Å; E980-N984 VanDerWaalsContact O-CG 3.28Å; E980-N984 PolarHBondContact O-N 3.42Å; E980-N984 PolarHBondContact O-ND2 3.15Å
981	Y	94.9	Very high	92.2	Very high	166 Å²	166	61.9 Å²	61.9	65%	0.651	29%	0.286	S	S	*	.	H	α-helix	trans	-57.4	-48.7	171.5	176.5	-89	0	0	0	112.3	E977 I983 N984 A985	E977-Y981 WeakPolarHBondContact O-CB 3.44Å; E977-Y981 PolarHBondContact O-N 3.33Å; Y981-I983 PolarHBondContact O-N 3.4Å; Y981-N984 WeakPolarHBondContact O-CB 3.42Å; Y981-N984 PolarHBondContact O-N 3.03Å; Y981-A985 PolarHBondContact O-N 2.68Å
982	V	95.5	Very high	92.3	Very high	21 Å²	21	59.3 Å²	59.3	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-40.3	-179.8	171	0	0	0	0	111.3	A901 T903 R978 I979 N984 A985 E986	A901-V982 HydrophobicContact CB-CB 4.17Å; A901-V982 HydrophobicContact CB-CG1 3.78Å; T903-V982 VanDerWaalsContact OG1-CG1 3.26Å; T903-V982 WeakPolarHBondContact OG1-CG1 3.38Å; R978-V982 WeakPolarHBondContact O-CB 3.28Å; R978-V982 WeakPolarHBondContact O-CG2 3.29Å; R978-V982 PolarHBondContact O-N 2.99Å; I979-V982 PolarHBondContact O-N 3.45Å; V982-N984 VanDerWaalsContact C-N 3.32Å; V982-N984 PolarHBondContact O-N 3.16Å; V982-A985 PolarHBondContact O-N 3.41Å; V982-E986 HydrophobicContact CG1-CG 4.1Å; V982-E986 WeakPolarHBondContact CG1-OE1 3.39Å; V982-E986 WeakPolarHBondContact O-CB 3.47Å; V982-E986 WeakPolarHBondContact O-CG 3.04Å; V982-E986 PolarHBondContact O-N 3.4Å
983	I	96.8	Very high	92.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-43.8	173.4	-72.1	161.7	0	0	0	111.2	R844 L847 L848 V851 A901 I979 E980 Y981 C987	R844-I983 HydrophobicContact CG-CG2 4.49Å; L847-I983 HydrophobicContact CB-CD1 3.98Å; L847-I983 HydrophobicContact CB-CG1 4.27Å; L847-I983 HydrophobicContact CB-CG2 3.83Å; L847-I983 HydrophobicContact CD1-CG2 4.14Å; L848-I983 HydrophobicContact CD2-CB 4.32Å; L848-I983 HydrophobicContact CD2-CD1 4.31Å; L848-I983 HydrophobicContact CD2-CG2 4.03Å; L848-I983 HydrophobicContact CG-CG2 4.13Å; V851-I983 HydrophobicContact CG2-CD1 3.63Å; A901-I983 HydrophobicContact CB-CG1 4.04Å; I979-I983 HydrophobicContact CG2-CD1 3.87Å; I979-I983 WeakPolarHBondContact O-CG1 3.46Å; I979-I983 PolarHBondContact O-N 3.26Å; E980-I983 PolarHBondContact O-N 3.24Å; Y981-I983 PolarHBondContact O-N 3.4Å; I983-C987 VanDerWaalsContact O-CB 3.3Å; I983-C987 WeakPolarHBondContact O-CB 3.42Å; I983-C987 PolarHBondContact O-N 3.49Å; I983-C987 PolarHBondContact O-SG 3.12Å
984	N	96.7	Very high	92.9	Very high	59 Å²	59	58 Å²	58	32%	0.316	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-43.1	177.9	-69.7	-46	0	0	0	111.7	R844 E980 Y981 V982 K988	R844-N984 VanDerWaalsContact CZ-OD1 3.23Å; R844-N984 PolarHBondContact NE-OD1 2.91Å; R844-N984 PolarHBondContact NH2-OD1 3.09Å; E980-N984 VanDerWaalsContact O-CG 3.28Å; E980-N984 PolarHBondContact O-N 3.42Å; E980-N984 PolarHBondContact O-ND2 3.15Å; Y981-N984 WeakPolarHBondContact O-CB 3.42Å; Y981-N984 PolarHBondContact O-N 3.03Å; V982-N984 VanDerWaalsContact C-N 3.32Å; V982-N984 PolarHBondContact O-N 3.16Å; N984-K988 PolarHBondContact O-N 2.81Å; N984-K988 VanDerWaalsContact O-N 3.13Å
985	A	96.4	Very high	93.2	Very high	45 Å²	45	58.5 Å²	58.5	37%	0.372	27%	0.272	S	S	.	.	H	α-helix	trans	-68.3	-46.6	178.7	0	0	0	0	0	112.6	Y981 V982 K988 K989	Y981-A985 PolarHBondContact O-N 2.68Å; V982-A985 PolarHBondContact O-N 3.41Å; A985-K988 PolarHBondContact O-N 2.81Å; A985-K989 PolarHBondContact O-N 3.41Å
986	E	96.8	Very high	93.3	Very high	9 Å²	9	58.5 Å²	58.5	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-48.6	175.3	-74.5	176.6	176.7	0	0	110.7	I897 E899 G900 A901 T903 V982 K988 K989 L990	I897-E986 HydrophobicContact CD1-CB 4.31Å; I897-E986 HydrophobicContact CD1-CG 4.43Å; E899-E986 VanDerWaalsContact CA-OE2 3.22Å; E899-E986 WeakPolarHBondContact CA-OE2 2.93Å; G900-E986 PolarHBondContact N-OE2 3.17Å; A901-E986 WeakPolarHBondContact CA-OE1 3.39Å; A901-E986 VanDerWaalsContact CA-OE2 3.3Å; A901-E986 WeakPolarHBondContact CA-OE2 3.41Å; A901-E986 PolarHBondContact N-OE2 3.25Å; T903-E986 WeakPolarHBondContact CB-OE1 3.42Å; T903-E986 VanDerWaalsContact CG2-OE1 3.28Å; T903-E986 WeakPolarHBondContact CG2-OE1 3.42Å; T903-E986 PolarHBondContact N-OE1 3.48Å; T903-E986 PolarHBondContact OG1-OE1 2.7Å; V982-E986 HydrophobicContact CG1-CG 4.1Å; V982-E986 WeakPolarHBondContact CG1-OE1 3.39Å; V982-E986 WeakPolarHBondContact O-CB 3.47Å; V982-E986 WeakPolarHBondContact O-CG 3.04Å; V982-E986 PolarHBondContact O-N 3.4Å; E986-K988 VanDerWaalsContact C-N 3.3Å; E986-K988 PolarHBondContact O-N 3.33Å; E986-K989 PolarHBondContact O-N 3.07Å; E986-K989 VanDerWaalsContact O-N 3.15Å; E986-L990 WeakPolarHBondContact O-CB 3.31Å; E986-L990 VanDerWaalsContact O-CG 3.31Å; E986-L990 WeakPolarHBondContact O-CG 3.42Å; E986-L990 PolarHBondContact O-N 3.19Å
987	C	96.1	Very high	93.2	Very high	8 Å²	8	57.6 Å²	57.6	5%	0.054	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-32.8	180	-67.7	0	0	0	0	112.9	R844 I983 L991	R844-C987 HydrophobicContact CB-CB 4.15Å; R844-C987 HydrophobicContact CG-CB 4.48Å; I983-C987 VanDerWaalsContact O-CB 3.3Å; I983-C987 WeakPolarHBondContact O-CB 3.42Å; I983-C987 PolarHBondContact O-N 3.49Å; I983-C987 PolarHBondContact O-SG 3.12Å; C987-L991 PolarHBondContact O-N 2.87Å
988	K	95.5	Very high	93.1	Very high	145 Å²	145	60 Å²	60	63%	0.63	29%	0.294	S	S	*	.	H	α-helix	trans	-65.4	-46	172.4	-176.8	176	178.1	178.5	0	111.5	N984 A985 E986 L991 E992	N984-K988 PolarHBondContact O-N 2.81Å; N984-K988 VanDerWaalsContact O-N 3.13Å; A985-K988 PolarHBondContact O-N 2.81Å; E986-K988 VanDerWaalsContact C-N 3.3Å; E986-K988 PolarHBondContact O-N 3.33Å; K988-L991 PolarHBondContact O-N 3.48Å; K988-E992 PolarHBondContact O-N 2.88Å
989	K	95.5	Very high	93.2	Very high	101 Å²	101	54.3 Å²	54.3	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-74.8	-29.1	-179.5	-72.2	-49.3	-166.6	-173.6	0	114	I897 A985 E986 L991 E992 C993	I897-K989 HydrophobicContact CD1-CB 3.49Å; I897-K989 VanDerWaalsContact CD1-CB 3.49Å; I897-K989 HydrophobicContact CG1-CB 4.36Å; A985-K989 PolarHBondContact O-N 3.41Å; E986-K989 PolarHBondContact O-N 3.07Å; E986-K989 VanDerWaalsContact O-N 3.15Å; K989-L991 VanDerWaalsContact C-N 3.35Å; K989-E992 VanDerWaalsContact CD-CD 3.43Å; K989-E992 VanDerWaalsContact CD-OE1 3.32Å; K989-E992 WeakPolarHBondContact CD-OE1 3.46Å; K989-E992 WeakPolarHBondContact CD-OE2 3.27Å; K989-E992 WeakPolarHBondContact CE-OE2 3.1Å; K989-E992 IonicContact NZ-OE1 2.61Å; K989-E992 PolarHBondContact NZ-OE1 3.04Å; K989-E992 IonicContact NZ-OE2 2.75Å; K989-E992 PolarHBondContact NZ-OE2 3.17Å; K989-E992 PolarHBondContact O-N 3.14Å; K989-C993 PolarHBondContact O-N 3.4Å; K989-C993 PolarHBondContact O-SG 3.04Å
990	L	94	Very high	92.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-41.8	169	-75.2	166.8	0	0	0	111.6	L843 Q896 I897 E899 E986 E992 C993 W994	L843-L990 HydrophobicContact CD2-CD1 3.9Å; Q896-L990 HydrophobicContact CB-CD2 4.26Å; I897-L990 HydrophobicContact CD1-CG 4.21Å; I897-L990 HydrophobicContact CG1-CD2 3.73Å; I897-L990 HydrophobicContact CG1-CG 3.86Å; E899-L990 HydrophobicContact CB-CD1 3.73Å; E986-L990 WeakPolarHBondContact O-CB 3.31Å; E986-L990 VanDerWaalsContact O-CG 3.31Å; E986-L990 WeakPolarHBondContact O-CG 3.42Å; E986-L990 PolarHBondContact O-N 3.19Å; L990-E992 VanDerWaalsContact C-N 3.3Å; L990-E992 PolarHBondContact O-N 3.33Å; L990-C993 PolarHBondContact O-N 2.7Å; L990-W994 HydrophobicContact CB-CD2 4.43Å; L990-W994 HydrophobicContact CB-CH2 4.44Å; L990-W994 HydrophobicContact CB-CZ2 4.23Å; L990-W994 HydrophobicContact CD1-CZ2 4.47Å; L990-W994 HydrophobicContact CD2-CZ2 4.2Å; L990-W994 WeakPolarHBondContact O-CB 3.4Å; L990-W994 PolarHBondContact O-N 3.31Å
991	L	93	Very high	92.3	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.288	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-36.7	176.3	178.8	59.1	0	0	0	112.3	V836 A840 C987 K988 K989 Q995	V836-L991 HydrophobicContact CB-CD1 4.38Å; V836-L991 HydrophobicContact CG1-CD1 3.81Å; A840-L991 HydrophobicContact CB-CB 4.27Å; A840-L991 HydrophobicContact CB-CD1 4.4Å; C987-L991 PolarHBondContact O-N 2.87Å; K988-L991 PolarHBondContact O-N 3.48Å; K989-L991 VanDerWaalsContact C-N 3.35Å; L991-Q995 VanDerWaalsContact O-CG 3.31Å; L991-Q995 WeakPolarHBondContact O-CG 3.36Å; L991-Q995 PolarHBondContact O-NE2 3.44Å
992	E	92.1	Very high	92.1	Very high	83 Å²	83	47.8 Å²	47.8	39%	0.388	25%	0.253	S	S	.	.	H	α-helix	trans	-66.5	-50.4	171.3	-63.5	173.3	-153.4	0	0	111.1	K988 K989 L990 W994 Q995	K988-E992 PolarHBondContact O-N 2.88Å; K989-E992 VanDerWaalsContact CD-CD 3.43Å; K989-E992 VanDerWaalsContact CD-OE1 3.32Å; K989-E992 WeakPolarHBondContact CD-OE1 3.46Å; K989-E992 WeakPolarHBondContact CD-OE2 3.27Å; K989-E992 WeakPolarHBondContact CE-OE2 3.1Å; K989-E992 IonicContact NZ-OE1 2.61Å; K989-E992 PolarHBondContact NZ-OE1 3.04Å; K989-E992 IonicContact NZ-OE2 2.75Å; K989-E992 PolarHBondContact NZ-OE2 3.17Å; K989-E992 PolarHBondContact O-N 3.14Å; L990-E992 VanDerWaalsContact C-N 3.3Å; L990-E992 PolarHBondContact O-N 3.33Å; E992-W994 PolarHBondContact O-N 2.96Å; E992-Q995 PolarHBondContact O-N 3.34Å
993	C	92.1	Very high	91.7	Very high	26 Å²	26	46.8 Å²	46.8	18%	0.176	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-46.4	-179.2	-64.4	0	0	0	0	112.6	Q896 K989 L990 Q995 T996 F999	Q896-C993 HydrophobicContact CB-CB 4.38Å; K989-C993 PolarHBondContact O-N 3.4Å; K989-C993 PolarHBondContact O-SG 3.04Å; L990-C993 PolarHBondContact O-N 2.7Å; C993-Q995 PolarHBondContact O-N 3.01Å; C993-T996 WeakPolarHBondContact O-CB 3.43Å; C993-T996 WeakPolarHBondContact O-CG2 3.32Å; C993-T996 PolarHBondContact O-N 3.35Å; C993-T996 PolarHBondContact O-OG1 3.06Å; C993-F999 VanDerWaalsContact O-CB 3.28Å; C993-F999 WeakPolarHBondContact O-CB 3.45Å
994	W	92.3	Very high	91.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.1	-177	-66.1	-19.6	0	0	0	114.2	I743 I748 V836 L839 A840 L843 L990 E992 F999	I743-W994 HydrophobicContact CD1-CH2 4.17Å; I743-W994 HydrophobicContact CD1-CZ2 4.08Å; I748-W994 HydrophobicContact CD1-CB 4.22Å; I748-W994 HydrophobicContact CD1-CD2 3.75Å; I748-W994 HydrophobicContact CD1-CE3 4.22Å; I748-W994 HydrophobicContact CD1-CG 3.75Å; I748-W994 HydrophobicContact CG2-CB 4.45Å; V836-W994 HydrophobicContact CG1-CB 3.55Å; V836-W994 HydrophobicContact CG1-CD2 4.48Å; V836-W994 HydrophobicContact CG1-CE3 3.89Å; V836-W994 HydrophobicContact CG1-CG 4.42Å; L839-W994 HydrophobicContact CB-CZ3 4.2Å; L839-W994 HydrophobicContact CD2-CE3 4.4Å; L839-W994 HydrophobicContact CD2-CH2 4.06Å; L839-W994 HydrophobicContact CD2-CZ3 3.92Å; L839-W994 HydrophobicContact CG-CH2 3.97Å; L839-W994 HydrophobicContact CG-CZ3 3.79Å; A840-W994 HydrophobicContact CB-CZ3 4.03Å; L843-W994 HydrophobicContact CD2-CH2 3.91Å; L990-W994 HydrophobicContact CB-CD2 4.43Å; L990-W994 HydrophobicContact CB-CH2 4.44Å; L990-W994 HydrophobicContact CB-CZ2 4.23Å; L990-W994 HydrophobicContact CD1-CZ2 4.47Å; L990-W994 HydrophobicContact CD2-CZ2 4.2Å; L990-W994 WeakPolarHBondContact O-CB 3.4Å; L990-W994 PolarHBondContact O-N 3.31Å; E992-W994 PolarHBondContact O-N 2.96Å; W994-F999 HydrophobicContact CB-CD1 4.34Å; W994-F999 HydrophobicContact CB-CE1 4.37Å; W994-F999 AromaticContact CD1-CD1 3.91Å; W994-F999 AromaticContact CD1-CD2 3.77Å; W994-F999 AromaticContact CD1-CE1 3.55Å; W994-F999 AromaticContact CD1-CE2 3.42Å; W994-F999 VanDerWaalsContact CD1-CE2 3.42Å; W994-F999 AromaticContact CD1-CZ 3.29Å; W994-F999 HydrophobicContact CG-CD1 4.47Å; W994-F999 HydrophobicContact CG-CE1 4.16Å; W994-F999 HydrophobicContact CG-CZ 4.25Å; W994-F999 AromaticContact NE1-CE2 3.68Å; W994-F999 AromaticContact NE1-CZ 3.6Å
995	Q	88.6	Confident	90.7	Very high	107 Å²	107	49.7 Å²	49.7	50%	0.5	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-17.1	173	-67.7	173	30.1	0	0	112.7	L991 E992 C993 R1000	L991-Q995 VanDerWaalsContact O-CG 3.31Å; L991-Q995 WeakPolarHBondContact O-CG 3.36Å; L991-Q995 PolarHBondContact O-NE2 3.44Å; E992-Q995 PolarHBondContact O-N 3.34Å; C993-Q995 PolarHBondContact O-N 3.01Å; Q995-R1000 PolarHBondContact O-NH1 3Å
996	T	88.4	Confident	90.3	Very high	55 Å²	55	47.8 Å²	47.8	34%	0.337	24%	0.243	S	C	.	.	S	Bend	trans	-68.6	149.9	178.8	71.4	0	0	0	0	112.5	C993 F999 R1000	C993-T996 WeakPolarHBondContact O-CB 3.43Å; C993-T996 WeakPolarHBondContact O-CG2 3.32Å; C993-T996 PolarHBondContact O-N 3.35Å; C993-T996 PolarHBondContact O-OG1 3.06Å; T996-F999 VanDerWaalsContact OG1-CB 3.26Å; T996-F999 WeakPolarHBondContact OG1-CB 3.49Å; T996-F999 PolarHBondContact OG1-N 3.16Å; T996-F999 VanDerWaalsContact OG1-N 3.16Å; T996-R1000 VanDerWaalsContact C-NH1 3.25Å; T996-R1000 PolarHBondContact O-NH1 3.18Å
997	A	85.5	Confident	89.7	Confident	48 Å²	48	47.7 Å²	47.7	40%	0.397	24%	0.242	S	C	.	.	H	α-helix	trans	-68.4	-37.6	172.8	0	0	0	0	0	111.9	F999 R1000 C1001	A997-F999 PolarHBondContact O-N 3.43Å; A997-R1000 PolarHBondContact O-N 3.39Å; A997-C1001 PolarHBondContact O-N 3.13Å; A997-C1001 PolarHBondContact O-SG 3.32Å
998	E	87.9	Confident	89	Confident	137 Å²	137	51.3 Å²	51.3	64%	0.64	26%	0.261	S	S	*	.	H	α-helix	trans	-55.4	-48.3	178.2	-175.9	-177.5	172.5	0	0	112.4	R1000 C1001 T1002	E998-R1000 VanDerWaalsContact C-N 3.32Å; E998-R1000 PolarHBondContact O-N 2.72Å; E998-C1001 PolarHBondContact O-N 2.95Å; E998-T1002 PolarHBondContact O-N 2.79Å; E998-T1002 PolarHBondContact O-OG1 3.23Å
999	F	91.1	Very high	88.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-44.3	174.2	174.8	-93.9	0	0	0	111.9	L745 I748 L894 Q896 C993 W994 T996 A997 T1002 A1003	L745-F999 HydrophobicContact CD1-CZ 4.1Å; L745-F999 HydrophobicContact CD2-CZ 4.2Å; I748-F999 HydrophobicContact CB-CE1 4.26Å; I748-F999 HydrophobicContact CD1-CE1 3.7Å; I748-F999 HydrophobicContact CD1-CZ 3.94Å; I748-F999 HydrophobicContact CG2-CD1 4.31Å; I748-F999 HydrophobicContact CG2-CE1 3.87Å; L894-F999 WeakPolarHBondContact O-CD2 3.45Å; Q896-F999 HydrophobicContact CB-CD2 3.87Å; Q896-F999 HydrophobicContact CB-CE2 3.88Å; Q896-F999 HydrophobicContact CG-CD2 4.44Å; Q896-F999 HydrophobicContact CG-CE2 4.05Å; C993-F999 VanDerWaalsContact O-CB 3.28Å; C993-F999 WeakPolarHBondContact O-CB 3.45Å; W994-F999 HydrophobicContact CB-CD1 4.34Å; W994-F999 HydrophobicContact CB-CE1 4.37Å; W994-F999 AromaticContact CD1-CD1 3.91Å; W994-F999 AromaticContact CD1-CD2 3.77Å; W994-F999 AromaticContact CD1-CE1 3.55Å; W994-F999 AromaticContact CD1-CE2 3.42Å; W994-F999 VanDerWaalsContact CD1-CE2 3.42Å; W994-F999 AromaticContact CD1-CZ 3.29Å; W994-F999 HydrophobicContact CG-CD1 4.47Å; W994-F999 HydrophobicContact CG-CE1 4.16Å; W994-F999 HydrophobicContact CG-CZ 4.25Å; W994-F999 AromaticContact NE1-CE2 3.68Å; W994-F999 AromaticContact NE1-CZ 3.6Å; T996-F999 VanDerWaalsContact OG1-CB 3.26Å; T996-F999 WeakPolarHBondContact OG1-CB 3.49Å; T996-F999 PolarHBondContact OG1-N 3.16Å; T996-F999 VanDerWaalsContact OG1-N 3.16Å; A997-F999 PolarHBondContact O-N 3.43Å; F999-T1002 PolarHBondContact O-OG1 3.37Å; F999-A1003 HydrophobicContact CE1-CB 4.2Å; F999-A1003 HydrophobicContact CE2-CB 4.47Å; F999-A1003 HydrophobicContact CZ-CB 4.1Å; F999-A1003 WeakPolarHBondContact O-CB 3.13Å; F999-A1003 PolarHBondContact O-N 3.21Å
1000	R	84.2	Confident	87.5	Confident	25 Å²	25	46 Å²	46	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-44.3	-179.8	-66.1	-168.7	-61.2	-82.1	12.4	112	P831 Q995 T996 A997 E998 M1004	P831-R1000 VanDerWaalsContact CD-CZ 3.48Å; Q995-R1000 PolarHBondContact O-NH1 3Å; T996-R1000 VanDerWaalsContact C-NH1 3.25Å; T996-R1000 PolarHBondContact O-NH1 3.18Å; A997-R1000 PolarHBondContact O-N 3.39Å; E998-R1000 VanDerWaalsContact C-N 3.32Å; E998-R1000 PolarHBondContact O-N 2.72Å; R1000-M1004 WeakPolarHBondContact O-CB 3.42Å; R1000-M1004 VanDerWaalsContact O-CG 3.27Å; R1000-M1004 WeakPolarHBondContact O-CG 3.23Å; R1000-M1004 PolarHBondContact O-N 3.37Å
1001	C	85.4	Confident	86.8	Confident	54 Å²	54	46.7 Å²	46.7	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-56.7	-55	175.7	-65.4	0	0	0	0	111.5	F828 A997 E998 M1004 E1005	F828-C1001 WeakPolarHBondContact CE1-SG 3.46Å; F828-C1001 VanDerWaalsContact CZ-SG 3.51Å; A997-C1001 PolarHBondContact O-N 3.13Å; A997-C1001 PolarHBondContact O-SG 3.32Å; E998-C1001 PolarHBondContact O-N 2.95Å; C1001-M1004 PolarHBondContact O-N 2.92Å; C1001-E1005 WeakPolarHBondContact O-CB 3.26Å; C1001-E1005 PolarHBondContact O-N 3.25Å
1002	T	89.5	Confident	86	Confident	24 Å²	24	48.9 Å²	48.9	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-70.5	-36.6	-174.2	50.9	0	0	0	0	112.5	L894 E998 F999 E1005 F1006	L894-T1002 VanDerWaalsContact C-OG1 3.22Å; L894-T1002 PolarHBondContact O-OG1 2.77Å; L894-T1002 VanDerWaalsContact O-OG1 3.1Å; E998-T1002 PolarHBondContact O-N 2.79Å; E998-T1002 PolarHBondContact O-OG1 3.23Å; F999-T1002 PolarHBondContact O-OG1 3.37Å; T1002-E1005 PolarHBondContact O-N 2.84Å; T1002-F1006 VanDerWaalsContact O-CB 3.22Å; T1002-F1006 WeakPolarHBondContact O-CB 3.28Å; T1002-F1006 PolarHBondContact O-N 3.05Å
1003	A	88.6	Confident	85.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-40.9	172.6	0	0	0	0	0	112.7	L745 T749 L894 F999 I1007	L745-A1003 HydrophobicContact CD1-CB 3.87Å; T749-A1003 HydrophobicContact CG2-CB 4.02Å; L894-A1003 HydrophobicContact CD2-CB 4.29Å; F999-A1003 HydrophobicContact CE1-CB 4.2Å; F999-A1003 HydrophobicContact CE2-CB 4.47Å; F999-A1003 HydrophobicContact CZ-CB 4.1Å; F999-A1003 WeakPolarHBondContact O-CB 3.13Å; F999-A1003 PolarHBondContact O-N 3.21Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.41Å; A1003-I1007 PolarHBondContact O-N 3.33Å
1004	M	85.3	Confident	84.2	Confident	42 Å²	42	47.3 Å²	47.3	21%	0.207	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-44.9	174.3	-72.3	177.9	66.8	0	0	111.6	T749 L752 L753 R1000 C1001 F1006 I1007 L1008	T749-M1004 HydrophobicContact CG2-CG 3.57Å; L752-M1004 HydrophobicContact CB-CE 3.76Å; L752-M1004 HydrophobicContact CD1-CE 4.16Å; L752-M1004 HydrophobicContact CD1-SD 4.32Å; L753-M1004 HydrophobicContact CD1-CG 4.47Å; L753-M1004 HydrophobicContact CD2-CB 4.43Å; L753-M1004 HydrophobicContact CD2-CE 4.19Å; L753-M1004 HydrophobicContact CD2-CG 4.25Å; L753-M1004 HydrophobicContact CG-CG 4.33Å; R1000-M1004 WeakPolarHBondContact O-CB 3.42Å; R1000-M1004 VanDerWaalsContact O-CG 3.27Å; R1000-M1004 WeakPolarHBondContact O-CG 3.23Å; R1000-M1004 PolarHBondContact O-N 3.37Å; C1001-M1004 PolarHBondContact O-N 2.92Å; M1004-F1006 VanDerWaalsContact C-N 3.33Å; M1004-F1006 PolarHBondContact O-N 3.38Å; M1004-I1007 PolarHBondContact O-N 3.16Å; M1004-L1008 WeakPolarHBondContact O-CB 3.37Å; M1004-L1008 VanDerWaalsContact O-CG 3.31Å; M1004-L1008 WeakPolarHBondContact O-CG 3.32Å; M1004-L1008 PolarHBondContact O-N 3.38Å; M1004-L1008 VanDerWaalsContact O-N 3.08Å
1005	E	86.3	Confident	83	Confident	78 Å²	78	49.1 Å²	49.1	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-45.6	175.4	-167.5	-159.6	160.9	0	0	111.4	R893 C1001 T1002 L1008 N1009	R893-E1005 IonicContact CZ-OE1 3.51Å; R893-E1005 IonicContact CZ-OE2 2.8Å; R893-E1005 IonicContact NH1-OE1 3.37Å; R893-E1005 PolarHBondContact NH1-OE1 3.42Å; R893-E1005 IonicContact NH1-OE2 2.71Å; R893-E1005 PolarHBondContact NH1-OE2 2.85Å; R893-E1005 VanDerWaalsContact NH2-CD 3.32Å; R893-E1005 IonicContact NH2-OE1 3.49Å; R893-E1005 PolarHBondContact NH2-OE1 3.35Å; R893-E1005 IonicContact NH2-OE2 3.6Å; C1001-E1005 WeakPolarHBondContact O-CB 3.26Å; C1001-E1005 PolarHBondContact O-N 3.25Å; T1002-E1005 PolarHBondContact O-N 2.84Å; E1005-L1008 PolarHBondContact O-N 3.19Å; E1005-N1009 WeakPolarHBondContact O-CB 3.47Å; E1005-N1009 PolarHBondContact O-N 3.36Å; E1005-N1009 PolarHBondContact O-ND2 2.95Å
1006	F	88	Confident	82.7	Confident	5 Å²	5	46.2 Å²	46.2	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-46.1	-179.3	-176.6	-93.3	0	0	0	112.6	L866 Y888 P890 R893 L894 T1002 M1004 L1008 E1010 M1011	L866-F1006 HydrophobicContact CD1-CE1 4.09Å; L866-F1006 HydrophobicContact CD1-CZ 3.98Å; Y888-F1006 AromaticContact CE1-CE2 3.91Å; Y888-F1006 HydrophobicContact CE1-CE2 3.91Å; Y888-F1006 AromaticContact CE1-CZ 3.82Å; Y888-F1006 HydrophobicContact CE1-CZ 3.82Å; P890-F1006 HydrophobicContact CB-CE2 4.05Å; P890-F1006 HydrophobicContact CB-CZ 4.35Å; P890-F1006 HydrophobicContact CG-CE1 4.46Å; P890-F1006 HydrophobicContact CG-CE2 3.99Å; P890-F1006 HydrophobicContact CG-CZ 3.78Å; R893-F1006 HydrophobicContact CG-CD2 4.49Å; L894-F1006 HydrophobicContact CD2-CB 3.58Å; L894-F1006 HydrophobicContact CD2-CD1 3.8Å; L894-F1006 HydrophobicContact CD2-CD2 4.33Å; L894-F1006 HydrophobicContact CD2-CG 3.63Å; L894-F1006 HydrophobicContact CG-CG 4.42Å; T1002-F1006 VanDerWaalsContact O-CB 3.22Å; T1002-F1006 WeakPolarHBondContact O-CB 3.28Å; T1002-F1006 PolarHBondContact O-N 3.05Å; M1004-F1006 VanDerWaalsContact C-N 3.33Å; M1004-F1006 PolarHBondContact O-N 3.38Å; F1006-L1008 VanDerWaalsContact C-N 3.34Å; F1006-L1008 PolarHBondContact O-N 2.61Å; F1006-E1010 HydrophobicContact CD2-CB 3.67Å; F1006-E1010 HydrophobicContact CD2-CG 4.29Å; F1006-E1010 WeakPolarHBondContact CD2-OE2 3.2Å; F1006-E1010 HydrophobicContact CE2-CB 3.76Å; F1006-E1010 WeakPolarHBondContact CE2-OE2 3.31Å; F1006-E1010 HydrophobicContact CG-CB 4.35Å; F1006-E1010 PolarHBondContact O-N 3.43Å; F1006-M1011 HydrophobicContact CD1-CB 4.25Å; F1006-M1011 HydrophobicContact CE1-CB 3.97Å; F1006-M1011 HydrophobicContact CE1-CG 4.37Å; F1006-M1011 PolarHBondContact O-N 3.18Å
1007	I	84.3	Confident	82.4	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-42.1	178.1	-73.7	167.7	0	0	0	111.2	L745 T746 L753 F757 A1003 M1004 M1011	L745-I1007 HydrophobicContact CB-CD1 4.07Å; T746-I1007 HydrophobicContact CG2-CD1 4.22Å; L753-I1007 HydrophobicContact CD1-CB 4.21Å; L753-I1007 HydrophobicContact CD1-CD1 3.73Å; L753-I1007 HydrophobicContact CD1-CG2 3.89Å; F757-I1007 HydrophobicContact CE2-CG2 4.11Å; F757-I1007 HydrophobicContact CZ-CG2 3.97Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.41Å; A1003-I1007 PolarHBondContact O-N 3.33Å; M1004-I1007 PolarHBondContact O-N 3.16Å; I1007-M1011 HydrophobicContact CB-CE 4.46Å; I1007-M1011 HydrophobicContact CG1-SD 4.26Å; I1007-M1011 HydrophobicContact CG2-CE 3.9Å
1008	L	82	Confident	82.3	Confident	84 Å²	84	45.6 Å²	45.6	44%	0.44	24%	0.235	S	C	.	.	H	α-helix	trans	-76.6	-34	-176.5	-68.6	171.3	0	0	0	113.5	L753 F757 M1004 E1005 F1006	L753-L1008 HydrophobicContact CD2-CD1 3.94Å; L753-L1008 HydrophobicContact CD2-CD2 3.92Å; L753-L1008 HydrophobicContact CD2-CG 3.83Å; F757-L1008 HydrophobicContact CZ-CD2 4.25Å; M1004-L1008 WeakPolarHBondContact O-CB 3.37Å; M1004-L1008 VanDerWaalsContact O-CG 3.31Å; M1004-L1008 WeakPolarHBondContact O-CG 3.32Å; M1004-L1008 PolarHBondContact O-N 3.38Å; M1004-L1008 VanDerWaalsContact O-N 3.08Å; E1005-L1008 PolarHBondContact O-N 3.19Å; F1006-L1008 VanDerWaalsContact C-N 3.34Å; F1006-L1008 PolarHBondContact O-N 2.61Å
1009	N	81	Confident	81.9	Confident	89 Å²	89	40.2 Å²	40.2	48%	0.476	21%	0.211	S	C	.	.	H	α-helix	trans	-115.8	-34.1	-168.3	-57.7	-67.7	0	0	0	115.6	E1005	E1005-N1009 WeakPolarHBondContact O-CB 3.47Å; E1005-N1009 PolarHBondContact O-N 3.36Å; E1005-N1009 PolarHBondContact O-ND2 2.95Å
1010	E	78	Confident	81.4	Confident	47 Å²	47	42.8 Å²	42.8	22%	0.22	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-31.5	-168.6	-68.1	-168.3	-166.4	0	0	114.3	R893 F1006 D1013	R893-E1010 IonicContact CZ-OE1 3.97Å; R893-E1010 IonicContact NE-OE1 3.95Å; R893-E1010 PolarHBondContact NE-OE1 3.35Å; R893-E1010 IonicContact NE-OE2 3.47Å; R893-E1010 IonicContact NH2-OE1 3.01Å; R893-E1010 PolarHBondContact NH2-OE1 3.39Å; F1006-E1010 HydrophobicContact CD2-CB 3.67Å; F1006-E1010 HydrophobicContact CD2-CG 4.29Å; F1006-E1010 WeakPolarHBondContact CD2-OE2 3.2Å; F1006-E1010 HydrophobicContact CE2-CB 3.76Å; F1006-E1010 WeakPolarHBondContact CE2-OE2 3.31Å; F1006-E1010 HydrophobicContact CG-CB 4.35Å; F1006-E1010 PolarHBondContact O-N 3.43Å; E1010-D1013 PolarHBondContact O-N 3.35Å
1011	M	79.2	Confident	81.2	Confident	14 Å²	14	43.9 Å²	43.9	7%	0.069	23%	0.233	C	C	.	.	S	Bend	trans	-65.6	-46.7	-171.7	-177.3	-175.6	66.4	0	0	112.8	L703 F1006 I1007 D1013 F1014 V1015	L703-M1011 HydrophobicContact CD1-SD 4.22Å; L703-M1011 HydrophobicContact CD2-CE 3.5Å; L703-M1011 HydrophobicContact CD2-SD 3.55Å; L703-M1011 VanDerWaalsContact CD2-SD 3.55Å; L703-M1011 HydrophobicContact CG-SD 4.46Å; F1006-M1011 HydrophobicContact CD1-CB 4.25Å; F1006-M1011 HydrophobicContact CE1-CB 3.97Å; F1006-M1011 HydrophobicContact CE1-CG 4.37Å; F1006-M1011 PolarHBondContact O-N 3.18Å; I1007-M1011 HydrophobicContact CB-CE 4.46Å; I1007-M1011 HydrophobicContact CG1-SD 4.26Å; I1007-M1011 HydrophobicContact CG2-CE 3.9Å; M1011-D1013 PolarHBondContact O-N 3.31Å; M1011-F1014 PolarHBondContact O-N 2.75Å; M1011-V1015 HydrophobicContact CG-CG2 4.15Å; M1011-V1015 WeakPolarHBondContact O-CB 3.24Å; M1011-V1015 VanDerWaalsContact O-CG2 3.27Å; M1011-V1015 WeakPolarHBondContact O-CG2 3.49Å; M1011-V1015 PolarHBondContact O-N 3.45Å
1012	D	75.4	Confident	80.9	Confident	101 Å²	101	43.2 Å²	43.2	54%	0.54	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.9	178.2	-104.4	16.1	0	0	0	112.8	F1014	D1012-F1014 PolarHBondContact O-N 3.09Å
1013	D	74.6	Confident	80.2	Confident	53 Å²	53	44.7 Å²	44.7	28%	0.283	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.1	174.3	-100.1	-5.3	0	0	0	112.6	S80 R81 S82 E1010 M1011	S80-D1013 WeakPolarHBondContact CA-OD1 3.47Å; S80-D1013 WeakPolarHBondContact CB-OD2 3.33Å; R81-D1013 PolarHBondContact N-OD1 2.77Å; R81-D1013 PolarHBondContact N-OD2 2.76Å; S82-D1013 WeakPolarHBondContact CB-OD2 3.35Å; S82-D1013 PolarHBondContact N-OD2 3.04Å; S82-D1013 PolarHBondContact OG-OD2 2.93Å; E1010-D1013 PolarHBondContact O-N 3.35Å; M1011-D1013 PolarHBondContact O-N 3.31Å
1014	F	72.6	Confident	79.5	Confident	24 Å²	24	48.4 Å²	48.4	11%	0.105	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-18.4	174.6	-177.7	-102.8	0	0	0	115	P864 L866 T886 Y888 K924 M1011 D1012	P864-F1014 HydrophobicContact CB-CD1 4.35Å; P864-F1014 HydrophobicContact CB-CE1 3.88Å; P864-F1014 HydrophobicContact CB-CZ 4.27Å; L866-F1014 HydrophobicContact CB-CE1 4.17Å; L866-F1014 HydrophobicContact CD1-CD1 3.89Å; L866-F1014 HydrophobicContact CD1-CE1 4.21Å; T886-F1014 WeakPolarHBondContact OG1-CZ 3.32Å; Y888-F1014 HydrophobicContact CD1-CD1 4.07Å; Y888-F1014 HydrophobicContact CD1-CD2 4.02Å; Y888-F1014 HydrophobicContact CD1-CE1 4.24Å; Y888-F1014 HydrophobicContact CD1-CE2 4.18Å; Y888-F1014 AromaticContact CD1-CG 3.97Å; Y888-F1014 HydrophobicContact CD1-CG 3.97Å; Y888-F1014 HydrophobicContact CD1-CZ 4.3Å; Y888-F1014 HydrophobicContact CG-CE2 4.26Å; Y888-F1014 HydrophobicContact CG-CZ 4.32Å; K924-F1014 HydrophobicContact CD-CD2 3.98Å; K924-F1014 HydrophobicContact CD-CE2 4.22Å; K924-F1014 HydrophobicContact CG-CE2 4.35Å; M1011-F1014 PolarHBondContact O-N 2.75Å; D1012-F1014 PolarHBondContact O-N 3.09Å
1015	V	67.3	Low	79	Confident	37 Å²	37	49 Å²	49	22%	0.224	25%	0.253	C	S	.	.			trans	-120.7	0	-156.7	172.3	0	0	0	0	114	K704 V738 S741 M1011	K704-V1015 HydrophobicContact CB-CG1 4.23Å; K704-V1015 HydrophobicContact CD-CG1 3.71Å; K704-V1015 HydrophobicContact CG-CG1 4.08Å; K704-V1015 PolarHBondContact NZ-O 3.4Å; K704-V1015 PolarHBondContact NZ-OXT 3.08Å; V738-V1015 HydrophobicContact CG2-CG1 4.14Å; V738-V1015 WeakPolarHBondContact CG2-O 3.1Å; S741-V1015 WeakPolarHBondContact OG-CG1 3.23Å; M1011-V1015 HydrophobicContact CG-CG2 4.15Å; M1011-V1015 WeakPolarHBondContact O-CB 3.24Å; M1011-V1015 VanDerWaalsContact O-CG2 3.27Å; M1011-V1015 WeakPolarHBondContact O-CG2 3.49Å; M1011-V1015 PolarHBondContact O-N 3.45Å

Retrieved 1,015 of 1,015 residues in 284.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).