A0A5K4F1Y8_SCHMA Loading...

CUB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1Y8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 858 aa.

						>A0A5K4F1Y8_SCHMA|A0A5K4F1Y8
MTNLPHSRGTYSFESQQCEITKKEQKYDDGNICFGPLHRYVHLNDAANSQIFTFLLLPHLLCGLVNYVETQVFQYAEHEWFVRFERTDTHLGFYLELITQKSENCETTLITSSQIPINKSDHNVAKRPTQWKTITLDFEFTIKNRNFFSQNECFSKSNCTFTQESCRHGRKNAIDLSTLSSKRFLFDDGKCIIELGLRNPHVCIKLQANQVEDPTNHMLLKKGRKRTHNNGSVVLRRMDNETITFPDTIHFETDHFSYAGDTWALTIDIEPYRDVLKNLNFDSDNNHDVCADVEICLTKTSQHKTDNYTYYDVEKPLGTQWTRLLCNAYLPGECHTGLMKFLIGSQGWPLKAHCCTFDEQTNEVKQQQLKQGEKSRINILKFSSCEYLEKGEARTHQSAVAFLLSTVSSKFCITLEMIFYERLTVVNFPINNLDNFNHVDSCLIMDPFSLPWRLFLNRSSRLARVGLIPEQKTDLQHEPEYMKISEKSSKIQDKHSHSERSTIPIGYLYLFGCKLRIRGYQSNKNNSCVIEPVGKEILQIACKKSDFYNESLSPNRFQHSGINVPQNNLNILLIRNLPKYLLKNNDAELLQSLCNTSVMDIGNKISKRLLRKANQISSVQVAMEITCQELTESNMGILNPKTGTITIEIQWLFRHQIYIDTLYQTDEIGARQYHQMRNELIRITKEKDELERQLMGFRMGLVQIDSRTHGPKSMLPLESIPGLVGHSRTTSIPSGENWQDSSRYSEKAVLQQPCYKMNNPVSNVKYEYNSQHTKSHATFSPSNYSSDKFKICKPYGSCSTYHMENNMSHSLLDYESLDESTPRASYPIYQPTSKQPLSFKCGFCTASEIQCSLTMDHV
					

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(Predicted Aligned Error values between residue pairs)

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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	28.9	Very low	27.7	Very low	238 Å²	238	162.5 Å²	162.5	100%	1.172	86%	0.859	S	S	*	*				0	98.8	0	-82.5	-174.3	172.6	0	0	108.3
2	T	30.4	Very low	27.3	Very low	137 Å²	137	158.7 Å²	158.7	84%	0.84	86%	0.855	S	S	*	*			trans	-165.6	89.2	159.6	23.7	0	0	0	0	106.7
3	N	25.9	Very low	27.2	Very low	168 Å²	168	161.2 Å²	161.2	90%	0.898	85%	0.853	S	S	*	*			trans	-69.1	123	165	-75.6	-26.6	0	0	0	108
4	L	31	Very low	26.9	Very low	164 Å²	164	163.7 Å²	163.7	86%	0.859	86%	0.858	S	S	*	*			trans	-137	143.5	159.4	-85.1	165.5	0	0	0	109.2
5	P	30.4	Very low	26.8	Very low	113 Å²	113	158.6 Å²	158.6	73%	0.734	84%	0.842	S	S	*	*			trans	-106.9	164.2	-143.7	26.6	-8.8	0	0	0	113.4
6	H	26.5	Very low	26.7	Very low	188 Å²	188	161.1 Å²	161.1	87%	0.87	85%	0.847	S	S	*	*			trans	-36.1	129.9	175.7	-55.8	-64.8	0	0	0	116.6
7	S	29.2	Very low	26.5	Very low	121 Å²	121	161.5 Å²	161.5	85%	0.846	84%	0.843	S	S	*	*			trans	-115.6	108.9	146.7	55.2	0	0	0	0	109.1	G9	S7-G9 PolarHBondContact O-N 3.33Å
8	R	24.9	Very low	26.3	Very low	252 Å²	252	158.8 Å²	158.8	95%	0.951	84%	0.839	S	S	*	*			trans	-71.2	110.5	168.1	-86.8	176.8	168.9	169.9	-4.3	108.2
9	G	27.9	Very low	26.3	Very low	59 Å²	59	159.5 Å²	159.5	61%	0.608	84%	0.837	S	S	*	*			trans	-125.1	91.2	164.4	0	0	0	0	0	108.8	S7 Y11	S7-G9 PolarHBondContact O-N 3.33Å; G9-Y11 PolarHBondContact O-N 3.28Å
10	T	23.6	Very low	26.2	Very low	136 Å²	136	159.4 Å²	159.4	83%	0.834	84%	0.835	S	S	*	*			trans	-69.1	101.5	170.7	38.8	0	0	0	0	109.2
11	Y	25.9	Very low	26.1	Very low	212 Å²	212	156.6 Å²	156.6	83%	0.831	83%	0.825	S	S	*	*			trans	-121.5	101.7	160.6	-74.1	-77.9	0	0	0	108	G9 F13	G9-Y11 PolarHBondContact O-N 3.28Å; Y11-F13 PolarHBondContact O-N 3.04Å
12	S	22.3	Very low	25.9	Very low	116 Å²	116	153.6 Å²	153.6	81%	0.811	81%	0.805	S	S	*	*			trans	-72.8	101	173.8	50.5	0	0	0	0	109.3
13	F	26	Very low	25.7	Very low	191 Å²	191	155.7 Å²	155.7	84%	0.838	80%	0.803	S	S	*	*			trans	-104.5	104.5	152.2	-94.5	-86.7	0	0	0	106.8	Y11 S15	Y11-F13 PolarHBondContact O-N 3.04Å; F13-S15 PolarHBondContact O-N 3.3Å
14	E	23.6	Very low	25.6	Very low	197 Å²	197	155.2 Å²	155.2	92%	0.921	80%	0.795	S	S	*	*			trans	-63.2	81.6	168.3	-72	-179.2	156.8	0	0	108.7
15	S	25.1	Very low	25.4	Very low	87 Å²	87	155 Å²	155	61%	0.608	79%	0.79	S	S	*	*			trans	-98.3	119.4	156.3	54.8	0	0	0	0	105.9	F13 Q17	F13-S15 PolarHBondContact O-N 3.3Å; S15-Q17 PolarHBondContact O-N 3.26Å
16	Q	25.6	Very low	25.1	Very low	198 Å²	198	157.7 Å²	157.7	93%	0.925	79%	0.79	S	S	*	*			trans	-60.9	82.5	176.1	-70.8	174.9	-14.4	0	0	108.7	C18	Q16-C18 PolarHBondContact O-N 3.39Å
17	Q	23.2	Very low	25.2	Very low	169 Å²	169	156.9 Å²	156.9	79%	0.79	78%	0.78	S	S	*	*			trans	-82.3	99.4	175	-146.3	158.6	13.2	0	0	105.7	S15 E19	S15-Q17 PolarHBondContact O-N 3.26Å; Q17-E19 PolarHBondContact O-N 3.16Å
18	C	23.2	Very low	25.2	Very low	112 Å²	112	157.6 Å²	157.6	76%	0.757	78%	0.775	S	S	*	*			trans	-44.4	106.5	166.6	-78.5	0	0	0	0	108.6	Q16 I20	Q16-C18 PolarHBondContact O-N 3.39Å; C18-I20 VanDerWaalsContact C-N 3.28Å; C18-I20 PolarHBondContact O-N 2.96Å
19	E	25.4	Very low	25.6	Very low	173 Å²	173	153.7 Å²	153.7	81%	0.808	77%	0.773	S	S	*	*			trans	-63.8	96.4	167.5	-79.3	-174.4	152.7	0	0	107.5	Q17 T21	Q17-E19 PolarHBondContact O-N 3.16Å; E19-T21 PolarHBondContact O-N 3.18Å
20	I	25	Very low	25.7	Very low	157 Å²	157	153.4 Å²	153.4	81%	0.805	77%	0.77	S	S	*	*			trans	-67.7	77.6	164	-57.4	170.2	0	0	0	105.7	C18 K22	C18-I20 VanDerWaalsContact C-N 3.28Å; C18-I20 PolarHBondContact O-N 2.96Å; I20-K22 PolarHBondContact O-N 3.49Å; I20-K22 VanDerWaalsContact O-N 3.13Å
21	T	24.5	Very low	26.4	Very low	100 Å²	100	154.5 Å²	154.5	61%	0.613	77%	0.771	S	S	*	*			trans	-68.9	107.5	162.2	38.1	0	0	0	0	106	E19 K23	E19-T21 PolarHBondContact O-N 3.18Å; T21-K23 PolarHBondContact O-N 3.29Å
22	K	23.6	Very low	27.5	Very low	175 Å²	175	148.8 Å²	148.8	76%	0.761	75%	0.754	S	S	*	*			trans	-56.3	81.7	159.7	-75.8	-175.2	171.7	-171.3	0	107.8	I20 E24	I20-K22 PolarHBondContact O-N 3.49Å; I20-K22 VanDerWaalsContact O-N 3.13Å; K22-E24 PolarHBondContact O-N 2.85Å
23	K	25.8	Very low	29	Very low	182 Å²	182	144.8 Å²	144.8	79%	0.791	73%	0.726	S	S	*	*			trans	-73.7	90.9	158	-85.4	-172.5	175.2	-177.3	0	105.1	T21 Q25	T21-K23 PolarHBondContact O-N 3.29Å; K23-Q25 PolarHBondContact O-N 3.04Å
24	E	24.2	Very low	31	Very low	158 Å²	158	140.3 Å²	140.3	74%	0.738	71%	0.706	S	S	*	*			trans	-40.5	115.3	143.9	-72.9	-179.6	158.7	0	0	105.9	K22 K26	K22-E24 PolarHBondContact O-N 2.85Å; E24-K26 PolarHBondContact O-N 3.04Å
25	Q	28.3	Very low	33.2	Very low	160 Å²	160	131 Å²	131	75%	0.748	66%	0.662	S	S	*	*			trans	-64.5	75.5	169	-82.2	175.5	-27.3	0	0	107	K23 Y27	K23-Q25 PolarHBondContact O-N 3.04Å; Q25-Y27 PolarHBondContact O-N 3.34Å
26	K	23.3	Very low	35.9	Very low	169 Å²	169	127.1 Å²	127.1	74%	0.735	64%	0.635	S	S	*	*			trans	-60.6	102.8	146.1	-76.9	-174.8	177.1	178.9	0	103.9	E24 D28	E24-K26 PolarHBondContact O-N 3.04Å; K26-D28 PolarHBondContact O-N 3.35Å
27	Y	28.3	Very low	38.6	Very low	170 Å²	170	117.9 Å²	117.9	67%	0.667	59%	0.592	S	S	*	*			trans	-56.5	88	157.4	-76.2	-93	0	0	0	105.5	Q25 D29 I32	Q25-Y27 PolarHBondContact O-N 3.34Å; Y27-D29 PolarHBondContact O-N 3.23Å; Y27-I32 HydrophobicContact CD1-CD1 4.47Å
28	D	29.3	Very low	41.2	Very low	137 Å²	137	109.9 Å²	109.9	73%	0.733	56%	0.555	S	S	*	*			trans	-58.9	119.1	158	-100.8	-21.8	0	0	0	104.2	K26 G30	K26-D28 PolarHBondContact O-N 3.35Å; D28-G30 PolarHBondContact O-N 3.36Å
29	D	33.1	Very low	44	Very low	169 Å²	169	107.2 Å²	107.2	90%	0.904	53%	0.529	S	S	*	.			trans	-62.4	26.6	172.3	-82.4	-31.6	0	0	0	112.5	Y27 N31	Y27-D29 PolarHBondContact O-N 3.23Å; D29-N31 PolarHBondContact O-N 2.76Å
30	G	30.4	Very low	46.7	Very low	54 Å²	54	99.5 Å²	99.5	56%	0.557	49%	0.492	S	S	*	.	S	Bend	trans	-79.1	97.3	167.7	0	0	0	0	0	109.6	D28 I32	D28-G30 PolarHBondContact O-N 3.36Å; G30-I32 PolarHBondContact O-N 3.36Å
31	N	38.8	Very low	49.4	Very low	158 Å²	158	94.1 Å²	94.1	85%	0.845	47%	0.467	S	S	*	.			trans	0.3	83.9	163.9	-87.7	-18.7	0	0	0	114.3	D29 C33	D29-N31 PolarHBondContact O-N 2.76Å; N31-C33 PolarHBondContact O-N 3.48Å
32	I	47.9	Very low	52.2	Low	93 Å²	93	90.7 Å²	90.7	48%	0.477	44%	0.444	S	S	.	.			trans	-60.4	113.4	173.3	-60.8	169.6	0	0	0	106.5	Y27 G30 F34	Y27-I32 HydrophobicContact CD1-CD1 4.47Å; G30-I32 PolarHBondContact O-N 3.36Å; I32-F34 HydrophobicContact CB-CD2 4.18Å; I32-F34 HydrophobicContact CB-CE2 3.6Å; I32-F34 HydrophobicContact CB-CZ 3.87Å; I32-F34 HydrophobicContact CD1-CZ 4.21Å; I32-F34 HydrophobicContact CG2-CD1 4.16Å; I32-F34 HydrophobicContact CG2-CD2 3.97Å; I32-F34 HydrophobicContact CG2-CE1 3.74Å; I32-F34 HydrophobicContact CG2-CE2 3.54Å; I32-F34 HydrophobicContact CG2-CG 4.27Å; I32-F34 HydrophobicContact CG2-CZ 3.41Å; I32-F34 VanDerWaalsContact CG2-CZ 3.41Å; I32-F34 VanDerWaalsContact O-CD2 3.27Å; I32-F34 WeakPolarHBondContact O-CD2 3.49Å; I32-F34 PolarHBondContact O-N 3.07Å
33	C	53.8	Low	55	Low	32 Å²	32	86.9 Å²	86.9	22%	0.216	43%	0.431	C	S	.	.			trans	-71.4	97.7	174.5	-80.3	0	0	0	0	107.9	N31 V68	N31-C33 PolarHBondContact O-N 3.48Å; C33-V68 HydrophobicContact CB-CG2 4.25Å; C33-V68 WeakPolarHBondContact O-CG1 3.43Å
34	F	67.7	Low	57.4	Low	97 Å²	97	82.3 Å²	82.3	43%	0.425	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	146.9	171.1	-67.3	-77.6	0	0	0	110.8	I32 P36 E69	I32-F34 HydrophobicContact CB-CD2 4.18Å; I32-F34 HydrophobicContact CB-CE2 3.6Å; I32-F34 HydrophobicContact CB-CZ 3.87Å; I32-F34 HydrophobicContact CD1-CZ 4.21Å; I32-F34 HydrophobicContact CG2-CD1 4.16Å; I32-F34 HydrophobicContact CG2-CD2 3.97Å; I32-F34 HydrophobicContact CG2-CE1 3.74Å; I32-F34 HydrophobicContact CG2-CE2 3.54Å; I32-F34 HydrophobicContact CG2-CG 4.27Å; I32-F34 HydrophobicContact CG2-CZ 3.41Å; I32-F34 VanDerWaalsContact CG2-CZ 3.41Å; I32-F34 VanDerWaalsContact O-CD2 3.27Å; I32-F34 WeakPolarHBondContact O-CD2 3.49Å; I32-F34 PolarHBondContact O-N 3.07Å; F34-P36 WeakPolarHBondContact O-CD 3.38Å; F34-E69 CarbonylContact C-O 3.56Å; F34-E69 VanDerWaalsContact CA-O 3.25Å; F34-E69 WeakPolarHBondContact CA-O 3.41Å
35	G	71.7	Confident	60.3	Low	0 Å²	0	78 Å²	78	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	100	164.6	0	0	0	0	0	109.5	E69 T70	G35-E69 PolarHBondContact N-O 2.89Å; G35-T70 VanDerWaalsContact O-CA 3.31Å; G35-T70 WeakPolarHBondContact O-CA 3.48Å; G35-T70 WeakPolarHBondContact O-CB 3.47Å
36	P	80.1	Confident	62.9	Low	6 Å²	6	74.1 Å²	74.1	4%	0.039	39%	0.393	C	S	.	.			trans	-67.1	139.6	-176.2	27.8	-35.8	0	0	0	111.2	F34 H38 L55 Y507 Y658	F34-P36 WeakPolarHBondContact O-CD 3.38Å; P36-H38 PolarHBondContact O-N 3.48Å; P36-L55 PolarHBondContact O-N 3.27Å; P36-Y507 HydrophobicContact CB-CE1 4.18Å; P36-Y658 HydrophobicContact CB-CD1 4.25Å; P36-Y658 HydrophobicContact CB-CG 4.02Å; P36-Y658 HydrophobicContact CG-CD1 4.05Å; P36-Y658 HydrophobicContact CG-CG 4.32Å
37	L	83	Confident	65.8	Low	5 Å²	5	67 Å²	67	3%	0.026	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122.7	166	-179.1	67.9	0	0	0	108.2	R39 F52 F54 H655 I657 Y658	L37-R39 WeakPolarHBondContact CD1-O 2.83Å; L37-F52 HydrophobicContact CD1-CB 3.79Å; L37-F52 HydrophobicContact CD1-CD1 3.97Å; L37-F52 HydrophobicContact CD1-CG 4.4Å; L37-F52 HydrophobicContact CD2-CD1 4.32Å; L37-F54 HydrophobicContact CB-CD1 4.21Å; L37-F54 HydrophobicContact CB-CE1 3.98Å; L37-F54 HydrophobicContact CD1-CD1 4.03Å; L37-F54 HydrophobicContact CD1-CE1 3.59Å; L37-F54 HydrophobicContact CD1-CZ 3.94Å; L37-F54 HydrophobicContact CG-CE1 4.38Å; L37-H655 HydrophobicContact CD2-CB 3.89Å; L37-I657 HydrophobicContact CD2-CG1 4.4Å; L37-I657 CarbonylContact O-C 3.56Å; L37-I657 VanDerWaalsContact O-CA 3.31Å; L37-I657 WeakPolarHBondContact O-CA 3.13Å; L37-Y658 PolarHBondContact O-N 3.14Å
38	H	78.5	Confident	68.6	Low	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-28.1	-172	-171.9	-99.5	0	0	0	112.6	P36 T53 L55 I657 Y658 T661 L662 T665	P36-H38 PolarHBondContact O-N 3.48Å; H38-T53 WeakPolarHBondContact CA-O 3.47Å; H38-T53 WeakPolarHBondContact CB-O 3.36Å; H38-T53 PolarHBondContact N-O 2.9Å; H38-L55 HydrophobicContact CB-CB 4.47Å; H38-I657 WeakPolarHBondContact O-CG2 3.21Å; H38-Y658 PolarHBondContact CD2-O 3.45Å; H38-T661 PolarHBondContact CE1-O 2.86Å; H38-T661 PolarHBondContact NE2-O 2.91Å; H38-T661 PolarHBondContact NE2-OG1 3.19Å; H38-L662 WeakPolarHBondContact CE1-CA 3.5Å; H38-L662 PolarHBondContact NE2-N 2.75Å; H38-L662 VanDerWaalsContact O-CD1 3.25Å; H38-L662 WeakPolarHBondContact O-CD1 3.22Å; H38-T665 WeakPolarHBondContact CE1-CG2 3.22Å; H38-T665 PolarHBondContact CE1-OG1 3.09Å; H38-T665 VanDerWaalsContact ND1-CG2 3.26Å; H38-T665 WeakPolarHBondContact ND1-CG2 3.38Å; H38-T665 PolarHBondContact ND1-OG1 3.08Å
39	R	81.2	Confident	71.6	Confident	56 Å²	56	55.2 Å²	55.2	21%	0.211	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147.1	174.3	-166.6	176.9	64.1	168.9	2.3	110.5	L37 V41 T53 E194	L37-R39 WeakPolarHBondContact CD1-O 2.83Å; R39-V41 HydrophobicContact CG-CG2 4.34Å; R39-T53 PolarHBondContact N-O 3.49Å; R39-T53 PolarHBondContact NE-OG1 3.32Å; R39-T53 PolarHBondContact O-N 3.13Å; R39-E194 IonicContact CZ-OE1 2.76Å; R39-E194 IonicContact NH2-OE1 3.98Å; R39-E194 PolarHBondContact NH2-OE1 2.89Å
40	Y	82.5	Confident	74.4	Confident	11 Å²	11	48 Å²	48	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.9	171.6	170.2	-96.8	0	0	0	109.3	H42 Q50 I51 F52 L510 F653 H655	Y40-H42 HydrophobicContact CE1-CB 3.91Å; Y40-Q50 HydrophobicContact CE2-CB 4.15Å; Y40-Q50 HydrophobicContact CE2-CG 4.45Å; Y40-Q50 VanDerWaalsContact OH-CD 3.25Å; Y40-Q50 PolarHBondContact OH-OE1 2.83Å; Y40-I51 CarbonylContact C-O 3.53Å; Y40-I51 WeakPolarHBondContact CA-O 3.45Å; Y40-F52 AromaticContact CD2-CD1 3.75Å; Y40-F52 HydrophobicContact CD2-CD1 3.75Å; Y40-F52 AromaticContact CD2-CE1 3.45Å; Y40-F52 HydrophobicContact CD2-CE1 3.45Å; Y40-F52 VanDerWaalsContact CD2-CE1 3.45Å; Y40-F52 HydrophobicContact CD2-CG 4.44Å; Y40-F52 AromaticContact CD2-CZ 3.93Å; Y40-F52 HydrophobicContact CD2-CZ 3.93Å; Y40-F52 HydrophobicContact CE2-CD1 4.31Å; Y40-F52 AromaticContact CE2-CE1 3.59Å; Y40-F52 HydrophobicContact CE2-CE1 3.59Å; Y40-F52 HydrophobicContact CE2-CE2 4.37Å; Y40-F52 AromaticContact CE2-CZ 3.63Å; Y40-F52 HydrophobicContact CE2-CZ 3.63Å; Y40-L510 HydrophobicContact CD1-CD2 3.39Å; Y40-L510 HydrophobicContact CE1-CD2 4.32Å; Y40-L510 HydrophobicContact CG-CD2 3.98Å; Y40-F653 HydrophobicContact CD1-CD2 4.19Å; Y40-F653 HydrophobicContact CD1-CE2 4.12Å; Y40-F653 HydrophobicContact CE1-CB 4.44Å; Y40-F653 AromaticContact CE1-CD1 3.83Å; Y40-F653 HydrophobicContact CE1-CD1 3.83Å; Y40-F653 AromaticContact CE1-CD2 3.57Å; Y40-F653 HydrophobicContact CE1-CD2 3.57Å; Y40-F653 AromaticContact CE1-CE1 3.92Å; Y40-F653 HydrophobicContact CE1-CE1 3.92Å; Y40-F653 AromaticContact CE1-CE2 3.66Å; Y40-F653 HydrophobicContact CE1-CE2 3.66Å; Y40-F653 AromaticContact CE1-CG 3.67Å; Y40-F653 HydrophobicContact CE1-CG 3.67Å; Y40-F653 AromaticContact CE1-CZ 3.86Å; Y40-F653 HydrophobicContact CE1-CZ 3.86Å; Y40-F653 AromaticContact CZ-CG 3.96Å; Y40-F653 WeakPolarHBondContact OH-CD1 3.37Å; Y40-H655 AromaticContact CD1-CD2 3.8Å; Y40-H655 AromaticContact CD2-CD2 3.59Å; Y40-H655 AromaticContact CD2-NE2 3.63Å; Y40-H655 AromaticContact CE1-CD2 3.86Å; Y40-H655 AromaticContact CE2-CD2 3.67Å; Y40-H655 AromaticContact CE2-NE2 3.28Å; Y40-H655 VanDerWaalsContact CE2-NE2 3.28Å; Y40-H655 WeakPolarHBondContact CE2-NE2 3.06Å; Y40-H655 AromaticContact CG-CD2 3.62Å; Y40-H655 AromaticContact CZ-CD2 3.77Å; Y40-H655 AromaticContact CZ-NE2 3.49Å
41	V	82.6	Confident	77.3	Confident	45 Å²	45	47.4 Å²	47.4	27%	0.273	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.8	176.2	-177.4	0	0	0	0	108.9	R39 L43 Q50 I51	R39-V41 HydrophobicContact CG-CG2 4.34Å; V41-L43 HydrophobicContact CG1-CD2 3.89Å; V41-Q50 WeakPolarHBondContact O-CA 3.23Å; V41-I51 HydrophobicContact CB-CB 4.29Å; V41-I51 PolarHBondContact N-O 3.46Å; V41-I51 PolarHBondContact O-N 3.07Å
42	H	82.8	Confident	79.9	Confident	28 Å²	28	39.9 Å²	39.9	13%	0.13	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.7	170	-172.8	-173.7	0	0	0	108.9	Y40 N44 N48 F653	Y40-H42 HydrophobicContact CE1-CB 3.91Å; H42-N44 PolarHBondContact CD2-N 3.43Å; H42-N44 PolarHBondContact CE1-OD1 3.16Å; H42-N44 PolarHBondContact ND1-OD1 3.32Å; H42-N44 VanDerWaalsContact ND1-OD1 3.1Å; H42-N44 PolarHBondContact NE2-OD1 3.23Å; H42-N48 PolarHBondContact NE2-OD1 2.84Å; H42-F653 HydrophobicContact CB-CE1 4.2Å; H42-F653 AromaticContact ND1-CD1 3.99Å; H42-F653 AromaticContact ND1-CE1 3.92Å
43	L	80.9	Confident	81.9	Confident	95 Å²	95	35.5 Å²	35.5	50%	0.497	20%	0.196	S	C	.	.			trans	-81.7	-14	-176.5	-62.8	-176.8	0	0	0	113.8	V41 D45 S49 I51	V41-L43 HydrophobicContact CG1-CD2 3.89Å; L43-D45 PolarHBondContact O-N 3.1Å; L43-S49 PolarHBondContact N-O 2.9Å; L43-I51 HydrophobicContact CD1-CD1 4.31Å
44	N	77.6	Confident	83.6	Confident	86 Å²	86	34 Å²	34	46%	0.46	19%	0.186	S	C	.	.			trans	49.7	38	-177.1	-67.9	-37.3	0	0	0	113.1	H42 E536	H42-N44 PolarHBondContact CD2-N 3.43Å; H42-N44 PolarHBondContact CE1-OD1 3.16Å; H42-N44 PolarHBondContact ND1-OD1 3.32Å; H42-N44 VanDerWaalsContact ND1-OD1 3.1Å; H42-N44 PolarHBondContact NE2-OD1 3.23Å; N44-E536 PolarHBondContact ND2-OE2 2.8Å; N44-E536 PolarHBondContact OD1-OE2 3.16Å
45	D	83.6	Confident	84.4	Confident	67 Å²	67	29.5 Å²	29.5	36%	0.358	17%	0.166	S	C	.	.			trans	-92.3	173.1	176.4	65	-7.2	0	0	0	111.2	L43 A47 N48 S49	L43-D45 PolarHBondContact O-N 3.1Å; D45-A47 PolarHBondContact O-N 3.25Å; D45-A47 VanDerWaalsContact O-N 3.17Å; D45-A47 PolarHBondContact OD1-N 2.8Å; D45-N48 PolarHBondContact O-N 3.3Å; D45-N48 PolarHBondContact OD1-N 2.92Å; D45-S49 WeakPolarHBondContact OD1-CB 3.19Å; D45-S49 PolarHBondContact OD1-N 3.36Å; D45-S49 PolarHBondContact OD1-OG 3.42Å; D45-S49 VanDerWaalsContact OD2-CB 3.28Å; D45-S49 WeakPolarHBondContact OD2-CB 3.46Å; D45-S49 PolarHBondContact OD2-OG 2.82Å
46	A	83.1	Confident	85	Confident	79 Å²	79	29.6 Å²	29.6	65%	0.653	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.4	178.3	0	0	0	0	0	113.3	N48 L380	A46-N48 VanDerWaalsContact C-N 3.34Å; A46-L380 HydrophobicContact CB-CD2 4.28Å
47	A	85.8	Confident	85	Confident	20 Å²	20	31.2 Å²	31.2	17%	0.165	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.7	177.7	0	0	0	0	0	113.2	D45 S49 R198 N199	D45-A47 PolarHBondContact O-N 3.25Å; D45-A47 VanDerWaalsContact O-N 3.17Å; D45-A47 PolarHBondContact OD1-N 2.8Å; A47-S49 VanDerWaalsContact C-N 3.25Å; A47-S49 PolarHBondContact O-N 2.8Å; A47-R198 HydrophobicContact CB-CB 4.41Å; A47-N199 WeakPolarHBondContact CA-OD1 3.42Å; A47-N199 VanDerWaalsContact CB-OD1 3.29Å; A47-N199 WeakPolarHBondContact CB-OD1 3.49Å; A47-N199 PolarHBondContact O-N 3.36Å
48	N	87.3	Confident	84.8	Confident	55 Å²	55	32.3 Å²	32.3	29%	0.294	18%	0.182	S	C	.	.			trans	50.9	45.7	-174.3	-170.1	10.1	0	0	0	112.3	H42 D45 A46 Q50 Y75 P200	H42-N48 PolarHBondContact NE2-OD1 2.84Å; D45-N48 PolarHBondContact O-N 3.3Å; D45-N48 PolarHBondContact OD1-N 2.92Å; A46-N48 VanDerWaalsContact C-N 3.34Å; N48-Q50 PolarHBondContact O-N 3.06Å; N48-Q50 PolarHBondContact OD1-NE2 2.73Å; N48-Q50 VanDerWaalsContact OD1-NE2 3.16Å; N48-Y75 PolarHBondContact O-OH 3.27Å; N48-P200 HydrophobicContact CB-CG 4.21Å
49	S	90.9	Very high	84.9	Confident	4 Å²	4	35.8 Å²	35.8	3%	0.028	20%	0.198	C	C	.	.			trans	-71.5	123.1	-175.3	-61.7	0	0	0	0	111.3	L43 D45 A47 L197 R198	L43-S49 PolarHBondContact N-O 2.9Å; D45-S49 WeakPolarHBondContact OD1-CB 3.19Å; D45-S49 PolarHBondContact OD1-N 3.36Å; D45-S49 PolarHBondContact OD1-OG 3.42Å; D45-S49 VanDerWaalsContact OD2-CB 3.28Å; D45-S49 WeakPolarHBondContact OD2-CB 3.46Å; D45-S49 PolarHBondContact OD2-OG 2.82Å; A47-S49 VanDerWaalsContact C-N 3.25Å; A47-S49 PolarHBondContact O-N 2.8Å; S49-L197 VanDerWaalsContact CA-O 3.32Å; S49-L197 WeakPolarHBondContact CA-O 3.4Å; S49-R198 WeakPolarHBondContact OG-CG 3.43Å
50	Q	92.6	Very high	85.1	Confident	16 Å²	16	33.1 Å²	33.1	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.4	177.4	-61.2	-175.1	28.2	0	0	110.4	Y40 V41 N48 F52 Y75 G196 L197	Y40-Q50 HydrophobicContact CE2-CB 4.15Å; Y40-Q50 HydrophobicContact CE2-CG 4.45Å; Y40-Q50 VanDerWaalsContact OH-CD 3.25Å; Y40-Q50 PolarHBondContact OH-OE1 2.83Å; V41-Q50 WeakPolarHBondContact O-CA 3.23Å; N48-Q50 PolarHBondContact O-N 3.06Å; N48-Q50 PolarHBondContact OD1-NE2 2.73Å; N48-Q50 VanDerWaalsContact OD1-NE2 3.16Å; Q50-F52 HydrophobicContact CB-CE2 3.82Å; Q50-F52 HydrophobicContact CB-CZ 4.23Å; Q50-Y75 HydrophobicContact CB-CD2 4.07Å; Q50-Y75 HydrophobicContact CB-CE2 4.05Å; Q50-Y75 HydrophobicContact CG-CD2 4.09Å; Q50-Y75 HydrophobicContact CG-CE2 3.97Å; Q50-G196 WeakPolarHBondContact O-CA 3.23Å; Q50-L197 PolarHBondContact N-O 3.27Å; Q50-L197 PolarHBondContact O-N 2.95Å
51	I	91	Very high	85.1	Confident	43 Å²	43	33.6 Å²	33.6	22%	0.221	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.1	-176	-54.5	172.8	0	0	0	109	Y40 V41 L43 E194 L195	Y40-I51 CarbonylContact C-O 3.53Å; Y40-I51 WeakPolarHBondContact CA-O 3.45Å; V41-I51 HydrophobicContact CB-CB 4.29Å; V41-I51 PolarHBondContact N-O 3.46Å; V41-I51 PolarHBondContact O-N 3.07Å; L43-I51 HydrophobicContact CD1-CD1 4.31Å; I51-E194 HydrophobicContact CG2-CB 4.45Å; I51-L195 CarbonylContact C-O 3.55Å; I51-L195 WeakPolarHBondContact CA-O 3.33Å
52	F	92.6	Very high	85	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.7	177	-57.6	-94.3	0	0	0	108.5	L37 Y40 Q50 F54 F73 E194 L195 L197 H655	L37-F52 HydrophobicContact CD1-CB 3.79Å; L37-F52 HydrophobicContact CD1-CD1 3.97Å; L37-F52 HydrophobicContact CD1-CG 4.4Å; L37-F52 HydrophobicContact CD2-CD1 4.32Å; Y40-F52 AromaticContact CD2-CD1 3.75Å; Y40-F52 HydrophobicContact CD2-CD1 3.75Å; Y40-F52 AromaticContact CD2-CE1 3.45Å; Y40-F52 HydrophobicContact CD2-CE1 3.45Å; Y40-F52 VanDerWaalsContact CD2-CE1 3.45Å; Y40-F52 HydrophobicContact CD2-CG 4.44Å; Y40-F52 AromaticContact CD2-CZ 3.93Å; Y40-F52 HydrophobicContact CD2-CZ 3.93Å; Y40-F52 HydrophobicContact CE2-CD1 4.31Å; Y40-F52 AromaticContact CE2-CE1 3.59Å; Y40-F52 HydrophobicContact CE2-CE1 3.59Å; Y40-F52 HydrophobicContact CE2-CE2 4.37Å; Y40-F52 AromaticContact CE2-CZ 3.63Å; Y40-F52 HydrophobicContact CE2-CZ 3.63Å; Q50-F52 HydrophobicContact CB-CE2 3.82Å; Q50-F52 HydrophobicContact CB-CZ 4.23Å; F52-F54 HydrophobicContact CB-CE2 3.63Å; F52-F54 HydrophobicContact CB-CZ 3.69Å; F52-F54 HydrophobicContact CG-CZ 4.49Å; F52-F73 HydrophobicContact CD1-CB 4.24Å; F52-F73 AromaticContact CD1-CD2 3.8Å; F52-F73 HydrophobicContact CD1-CD2 3.8Å; F52-F73 HydrophobicContact CD1-CE2 4.36Å; F52-F73 HydrophobicContact CD1-CG 4.02Å; F52-F73 HydrophobicContact CD2-CD2 4.35Å; F52-F73 HydrophobicContact CD2-CE2 4.2Å; F52-F73 HydrophobicContact CE1-CB 3.97Å; F52-F73 AromaticContact CE1-CD2 3.47Å; F52-F73 HydrophobicContact CE1-CD2 3.47Å; F52-F73 VanDerWaalsContact CE1-CD2 3.47Å; F52-F73 HydrophobicContact CE1-CE2 4.25Å; F52-F73 AromaticContact CE1-CG 3.93Å; F52-F73 HydrophobicContact CE1-CG 3.93Å; F52-F73 HydrophobicContact CE2-CD2 4.07Å; F52-F73 HydrophobicContact CE2-CE2 4.09Å; F52-F73 HydrophobicContact CG-CD2 4.23Å; F52-F73 HydrophobicContact CG-CE2 4.34Å; F52-F73 AromaticContact CZ-CD2 3.62Å; F52-F73 HydrophobicContact CZ-CD2 3.62Å; F52-F73 HydrophobicContact CZ-CE2 4.12Å; F52-E194 CarbonylContact O-C 3.46Å; F52-E194 WeakPolarHBondContact O-CA 3.07Å; F52-L195 HydrophobicContact CB-CB 4.37Å; F52-L195 PolarHBondContact N-O 3.22Å; F52-L195 PolarHBondContact O-N 3.42Å; F52-L197 HydrophobicContact CD2-CD1 4.34Å; F52-L197 HydrophobicContact CE2-CD1 3.88Å; F52-L197 HydrophobicContact CE2-CG 4.33Å; F52-H655 AromaticContact CE1-CE1 3.69Å; F52-H655 AromaticContact CE1-NE2 3.92Å
53	T	90.4	Very high	84.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.4	177.2	-48.8	0	0	0	0	109.2	H38 R39 I192 I193 E194 T665	H38-T53 WeakPolarHBondContact CA-O 3.47Å; H38-T53 WeakPolarHBondContact CB-O 3.36Å; H38-T53 PolarHBondContact N-O 2.9Å; R39-T53 PolarHBondContact N-O 3.49Å; R39-T53 PolarHBondContact NE-OG1 3.32Å; R39-T53 PolarHBondContact O-N 3.13Å; T53-I192 HydrophobicContact CG2-CG2 3.55Å; T53-I193 CarbonylContact C-O 3.56Å; T53-I193 WeakPolarHBondContact CA-O 3.41Å; T53-E194 HydrophobicContact CG2-CG 3.92Å; T53-T665 HydrophobicContact CG2-CG2 4.39Å
54	F	89.9	Confident	84.8	Confident	1 Å²	1	37.5 Å²	37.5	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.4	179.2	-55.5	-79.9	0	0	0	110.4	L37 F52 T70 F73 V82 I193 L195	L37-F54 HydrophobicContact CB-CD1 4.21Å; L37-F54 HydrophobicContact CB-CE1 3.98Å; L37-F54 HydrophobicContact CD1-CD1 4.03Å; L37-F54 HydrophobicContact CD1-CE1 3.59Å; L37-F54 HydrophobicContact CD1-CZ 3.94Å; L37-F54 HydrophobicContact CG-CE1 4.38Å; F52-F54 HydrophobicContact CB-CE2 3.63Å; F52-F54 HydrophobicContact CB-CZ 3.69Å; F52-F54 HydrophobicContact CG-CZ 4.49Å; F54-T70 HydrophobicContact CD1-CG2 3.48Å; F54-T70 VanDerWaalsContact CD1-CG2 3.48Å; F54-T70 HydrophobicContact CD2-CG2 4.39Å; F54-T70 HydrophobicContact CE1-CG2 3.57Å; F54-T70 HydrophobicContact CE2-CG2 4.45Å; F54-T70 HydrophobicContact CG-CG2 3.91Å; F54-T70 HydrophobicContact CZ-CG2 4.07Å; F54-F73 HydrophobicContact CE1-CD1 4.42Å; F54-F73 AromaticContact CZ-CD1 3.96Å; F54-F73 HydrophobicContact CZ-CD1 3.96Å; F54-F73 AromaticContact CZ-CE1 3.78Å; F54-F73 HydrophobicContact CZ-CE1 3.78Å; F54-F73 HydrophobicContact CZ-CZ 4.46Å; F54-V82 HydrophobicContact CE2-CG2 4.12Å; F54-V82 HydrophobicContact CZ-CG2 4.42Å; F54-I193 PolarHBondContact N-O 2.84Å; F54-I193 PolarHBondContact O-N 2.77Å; F54-L195 HydrophobicContact CE2-CB 4.1Å; F54-L195 HydrophobicContact CE2-CD2 4.45Å
55	L	84.3	Confident	85.1	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.5	172.4	-171.9	70.6	0	0	0	108.8	P36 H38 F186 K190 I192 T661	P36-L55 PolarHBondContact O-N 3.27Å; H38-L55 HydrophobicContact CB-CB 4.47Å; L55-F186 HydrophobicContact CD1-CE2 4.41Å; L55-K190 HydrophobicContact CD1-CB 3.97Å; L55-K190 HydrophobicContact CD1-CD 4.33Å; L55-K190 HydrophobicContact CD2-CD 3.61Å; L55-K190 HydrophobicContact CG-CB 4.24Å; L55-K190 HydrophobicContact CG-CD 3.93Å; L55-I192 HydrophobicContact CD1-CG1 4.04Å; L55-T661 VanDerWaalsContact CD2-OG1 3.3Å; L55-T661 WeakPolarHBondContact CD2-OG1 3.39Å
56	L	85	Confident	85.2	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.9	-179	-170.8	62.1	0	0	0	110	L60 L61 V68 F84 L91 K190 C191 I193	L56-L60 HydrophobicContact CD1-CD2 3.9Å; L56-L60 HydrophobicContact CD2-CD2 4.01Å; L56-L60 HydrophobicContact CG-CD2 4.38Å; L56-L61 HydrophobicContact CD2-CD1 4.35Å; L56-L61 HydrophobicContact CD2-CD2 3.8Å; L56-L61 HydrophobicContact CD2-CG 4.17Å; L56-L61 HydrophobicContact CG-CG 4.48Å; L56-V68 HydrophobicContact CD1-CB 4.21Å; L56-V68 HydrophobicContact CD1-CG1 4.03Å; L56-F84 HydrophobicContact CD1-CB 4.26Å; L56-F84 HydrophobicContact CD1-CD2 3.8Å; L56-F84 HydrophobicContact CD1-CE2 4.31Å; L56-F84 HydrophobicContact CD1-CG 3.98Å; L56-L91 HydrophobicContact CD2-CD2 4Å; L56-K190 WeakPolarHBondContact O-CA 3.41Å; L56-K190 WeakPolarHBondContact O-CB 3.25Å; L56-C191 PolarHBondContact N-O 3.43Å; L56-C191 PolarHBondContact O-N 3.15Å; L56-I193 HydrophobicContact CB-CD1 4.22Å; L56-I193 HydrophobicContact CD2-CD1 3.92Å
57	L	79	Confident	85.5	Confident	40 Å²	40	40 Å²	40	21%	0.209	22%	0.221	C	C	.	.			trans	-73.7	150.8	-177.6	-66.6	175.3	0	0	0	111.9	H59 L60 K190	L57-H59 PolarHBondContact O-N 3.13Å; L57-H59 VanDerWaalsContact O-N 3.08Å; L57-L60 PolarHBondContact O-N 3.07Å; L57-K190 HydrophobicContact CD2-CD 4.25Å
58	P	78.6	Confident	85.6	Confident	28 Å²	28	39.2 Å²	39.2	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-21.3	-176.5	25.9	-36.3	0	0	0	113	L60 L61 C62	P58-L60 VanDerWaalsContact C-N 3.29Å; P58-L60 PolarHBondContact O-N 2.93Å; P58-L61 CarbonylContact O-C 3.6Å; P58-L61 PolarHBondContact O-N 3.47Å; P58-C62 VanDerWaalsContact O-CB 3.31Å; P58-C62 WeakPolarHBondContact O-CB 3.28Å; P58-C62 PolarHBondContact O-N 3.3Å; P58-C62 PolarHBondContact O-SG 3.5Å; P58-C62 VanDerWaalsContact O-SG 3.36Å
59	H	82.1	Confident	85.7	Confident	73 Å²	73	39.2 Å²	39.2	34%	0.338	21%	0.212	S	C	.	.	H	α-helix	trans	-54	-41.5	-179.5	-57.5	92.4	0	0	0	113.3	L57 G63 L64 V65	L57-H59 PolarHBondContact O-N 3.13Å; L57-H59 VanDerWaalsContact O-N 3.08Å; H59-G63 PolarHBondContact O-N 3.3Å; H59-L64 HydrophobicContact CB-CB 4.33Å; H59-L64 HydrophobicContact CB-CD1 4.46Å; H59-L64 WeakPolarHBondContact O-CB 3.43Å; H59-L64 PolarHBondContact O-N 3.12Å; H59-V65 HydrophobicContact CB-CG2 4.16Å; H59-V65 PolarHBondContact O-N 3.07Å
60	L	83.8	Confident	85.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71	-43.1	174	-174.6	61.8	0	0	0	110.9	L56 L57 P58 C62 G63 V65 V68 F84 R86 L91	L56-L60 HydrophobicContact CD1-CD2 3.9Å; L56-L60 HydrophobicContact CD2-CD2 4.01Å; L56-L60 HydrophobicContact CG-CD2 4.38Å; L57-L60 PolarHBondContact O-N 3.07Å; P58-L60 VanDerWaalsContact C-N 3.29Å; P58-L60 PolarHBondContact O-N 2.93Å; L60-C62 VanDerWaalsContact C-N 3.31Å; L60-C62 PolarHBondContact O-N 2.95Å; L60-G63 PolarHBondContact O-N 3.08Å; L60-G63 VanDerWaalsContact O-N 3.14Å; L60-V65 HydrophobicContact CB-CG2 4.09Å; L60-V65 HydrophobicContact CD1-CG2 4.19Å; L60-V65 VanDerWaalsContact CD1-O 3.27Å; L60-V65 WeakPolarHBondContact CD1-O 3.23Å; L60-V68 HydrophobicContact CB-CG2 3.83Å; L60-V68 HydrophobicContact CD1-CG2 4.47Å; L60-V68 HydrophobicContact CD2-CB 4.12Å; L60-V68 HydrophobicContact CD2-CG2 4.16Å; L60-V68 HydrophobicContact CG-CG2 4.38Å; L60-F84 HydrophobicContact CD2-CB 3.43Å; L60-F84 VanDerWaalsContact CD2-CB 3.43Å; L60-R86 HydrophobicContact CD1-CB 3.55Å; L60-R86 HydrophobicContact CG-CB 4.14Å; L60-R86 WeakPolarHBondContact O-CD 3.48Å; L60-R86 PolarHBondContact O-NH1 3.2Å; L60-L91 HydrophobicContact CD2-CD1 3.75Å; L60-L91 HydrophobicContact CG-CD1 4.2Å
61	L	82.5	Confident	85	Confident	22 Å²	22	41.5 Å²	41.5	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-75.7	-17.1	-174.2	-56	178.4	0	0	0	113.9	L56 P58 R86 L91 L179 L185 G189 C191	L56-L61 HydrophobicContact CD2-CD1 4.35Å; L56-L61 HydrophobicContact CD2-CD2 3.8Å; L56-L61 HydrophobicContact CD2-CG 4.17Å; L56-L61 HydrophobicContact CG-CG 4.48Å; P58-L61 CarbonylContact O-C 3.6Å; P58-L61 PolarHBondContact O-N 3.47Å; L61-R86 PolarHBondContact O-NH1 3.31Å; L61-L91 HydrophobicContact CD2-CD2 3.93Å; L61-L179 HydrophobicContact CD1-CD2 4.18Å; L61-L179 HydrophobicContact CD2-CD2 3.54Å; L61-L179 HydrophobicContact CG-CD2 4.35Å; L61-L185 HydrophobicContact CD1-CD2 3.63Å; L61-G189 WeakPolarHBondContact CD1-O 3.48Å; L61-C191 HydrophobicContact CD1-CB 4.38Å
62	C	81.6	Confident	84.8	Confident	87 Å²	87	42.8 Å²	42.8	59%	0.588	23%	0.232	S	C	*	.	H	α-helix	trans	-96.6	-10	170.5	-64	0	0	0	0	112.7	P58 L60	P58-C62 VanDerWaalsContact O-CB 3.31Å; P58-C62 WeakPolarHBondContact O-CB 3.28Å; P58-C62 PolarHBondContact O-N 3.3Å; P58-C62 PolarHBondContact O-SG 3.5Å; P58-C62 VanDerWaalsContact O-SG 3.36Å; L60-C62 VanDerWaalsContact C-N 3.31Å; L60-C62 PolarHBondContact O-N 2.95Å
63	G	79.3	Confident	84.6	Confident	33 Å²	33	43 Å²	43	34%	0.34	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	21.1	175.7	0	0	0	0	0	114	H59 L60 V65	H59-G63 PolarHBondContact O-N 3.3Å; L60-G63 PolarHBondContact O-N 3.08Å; L60-G63 VanDerWaalsContact O-N 3.14Å; G63-V65 VanDerWaalsContact C-N 3.31Å
64	L	80.7	Confident	84.5	Confident	129 Å²	129	45.2 Å²	45.2	68%	0.675	24%	0.244	S	C	*	.	S	Bend	trans	-73.6	-28.3	172.3	-62.9	175.2	0	0	0	111.5	H59	H59-L64 HydrophobicContact CB-CB 4.33Å; H59-L64 HydrophobicContact CB-CD1 4.46Å; H59-L64 WeakPolarHBondContact O-CB 3.43Å; H59-L64 PolarHBondContact O-N 3.12Å
65	V	83.8	Confident	84.6	Confident	45 Å²	45	45.3 Å²	45.3	27%	0.273	24%	0.244	S	C	.	.			trans	-130.3	149.3	172.3	-64.7	0	0	0	0	109.5	H59 L60 G63 V68	H59-V65 HydrophobicContact CB-CG2 4.16Å; H59-V65 PolarHBondContact O-N 3.07Å; L60-V65 HydrophobicContact CB-CG2 4.09Å; L60-V65 HydrophobicContact CD1-CG2 4.19Å; L60-V65 VanDerWaalsContact CD1-O 3.27Å; L60-V65 WeakPolarHBondContact CD1-O 3.23Å; G63-V65 VanDerWaalsContact C-N 3.31Å; V65-V68 HydrophobicContact CG2-CG2 3.81Å
66	N	86	Confident	84.8	Confident	116 Å²	116	45.9 Å²	45.9	62%	0.62	25%	0.249	S	C	*	.	S	Bend	trans	-88.7	-20.1	178.3	-66.4	-20.7	0	0	0	112.6	R86	N66-R86 PolarHBondContact O-N 3.21Å
67	Y	87.9	Confident	85.1	Confident	124 Å²	124	47.6 Å²	47.6	49%	0.486	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.5	176.6	67.9	-84.1	0	0	0	111.6	E69 F84	Y67-E69 HydrophobicContact CD2-CG 4.4Å; Y67-F84 CarbonylContact C-O 3.6Å; Y67-F84 WeakPolarHBondContact CA-O 3.28Å; Y67-F84 WeakPolarHBondContact CB-O 3.29Å
68	V	87.4	Confident	85.6	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136.4	173.5	164.7	0	0	0	0	108	C33 L56 L60 V65 F84	C33-V68 HydrophobicContact CB-CG2 4.25Å; C33-V68 WeakPolarHBondContact O-CG1 3.43Å; L56-V68 HydrophobicContact CD1-CB 4.21Å; L56-V68 HydrophobicContact CD1-CG1 4.03Å; L60-V68 HydrophobicContact CB-CG2 3.83Å; L60-V68 HydrophobicContact CD1-CG2 4.47Å; L60-V68 HydrophobicContact CD2-CB 4.12Å; L60-V68 HydrophobicContact CD2-CG2 4.16Å; L60-V68 HydrophobicContact CG-CG2 4.38Å; V65-V68 HydrophobicContact CG2-CG2 3.81Å; V68-F84 HydrophobicContact CB-CB 4.5Å; V68-F84 HydrophobicContact CB-CD2 4.48Å; V68-F84 HydrophobicContact CG1-CD2 4.26Å; V68-F84 PolarHBondContact N-O 2.9Å; V68-F84 PolarHBondContact O-N 3.38Å
69	E	90.1	Very high	86.2	Confident	55 Å²	55	50.4 Å²	50.4	26%	0.257	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144.6	175	-70	174.8	173.6	0	0	109.9	F34 G35 Y67 F81 V82 R83	F34-E69 CarbonylContact C-O 3.56Å; F34-E69 VanDerWaalsContact CA-O 3.25Å; F34-E69 WeakPolarHBondContact CA-O 3.41Å; G35-E69 PolarHBondContact N-O 2.89Å; Y67-E69 HydrophobicContact CD2-CG 4.4Å; E69-F81 HydrophobicContact CB-CD2 4.25Å; E69-F81 HydrophobicContact CG-CD2 4.06Å; E69-F81 HydrophobicContact CG-CE2 4.05Å; E69-V82 CarbonylContact C-O 3.52Å; E69-V82 WeakPolarHBondContact CA-O 3.41Å; E69-R83 HydrophobicContact CG-CB 4.3Å; E69-R83 HydrophobicContact CG-CG 4.04Å; E69-R83 IonicContact OE1-CZ 4Å; E69-R83 IonicContact OE1-NH1 3.13Å; E69-R83 PolarHBondContact OE1-NH1 3.49Å
70	T	88.2	Confident	86.7	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	163.9	172.7	64.4	0	0	0	0	111	G35 F54 V82 F84	G35-T70 VanDerWaalsContact O-CA 3.31Å; G35-T70 WeakPolarHBondContact O-CA 3.48Å; G35-T70 WeakPolarHBondContact O-CB 3.47Å; F54-T70 HydrophobicContact CD1-CG2 3.48Å; F54-T70 VanDerWaalsContact CD1-CG2 3.48Å; F54-T70 HydrophobicContact CD2-CG2 4.39Å; F54-T70 HydrophobicContact CE1-CG2 3.57Å; F54-T70 HydrophobicContact CE2-CG2 4.45Å; F54-T70 HydrophobicContact CG-CG2 3.91Å; F54-T70 HydrophobicContact CZ-CG2 4.07Å; T70-V82 HydrophobicContact CG2-CB 3.75Å; T70-V82 PolarHBondContact N-O 2.77Å; T70-V82 PolarHBondContact OG1-N 3.23Å; T70-F84 HydrophobicContact CG2-CE2 3.58Å; T70-F84 HydrophobicContact CG2-CZ 4.24Å
71	Q	80.6	Confident	87.1	Confident	64 Å²	64	48.4 Å²	48.4	30%	0.299	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-59.2	146.4	160.2	-169.3	169.7	12.6	0	0	109.8	F73	Q71-F73 PolarHBondContact O-N 3.26Å
72	V	86.8	Confident	87.7	Confident	71 Å²	71	47.3 Å²	47.3	43%	0.43	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-61.7	133.2	175.9	-177.9	0	0	0	0	109.9	E79 W80 I98	V72-E79 HydrophobicContact CG1-CB 3.67Å; V72-E79 HydrophobicContact CG1-CG 4.08Å; V72-W80 WeakPolarHBondContact CA-O 3.34Å; V72-I98 HydrophobicContact CB-CD1 4.25Å; V72-I98 HydrophobicContact CG1-CD1 3.61Å; V72-I98 HydrophobicContact CG2-CD1 3.6Å
73	F	89.4	Confident	88.2	Confident	5 Å²	5	45.3 Å²	45.3	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154	174.8	61.6	-88.4	0	0	0	110.4	F52 F54 Q71 W80 V82 L95 L195 L197	F52-F73 HydrophobicContact CD1-CB 4.24Å; F52-F73 AromaticContact CD1-CD2 3.8Å; F52-F73 HydrophobicContact CD1-CD2 3.8Å; F52-F73 HydrophobicContact CD1-CE2 4.36Å; F52-F73 HydrophobicContact CD1-CG 4.02Å; F52-F73 HydrophobicContact CD2-CD2 4.35Å; F52-F73 HydrophobicContact CD2-CE2 4.2Å; F52-F73 HydrophobicContact CE1-CB 3.97Å; F52-F73 AromaticContact CE1-CD2 3.47Å; F52-F73 HydrophobicContact CE1-CD2 3.47Å; F52-F73 VanDerWaalsContact CE1-CD2 3.47Å; F52-F73 HydrophobicContact CE1-CE2 4.25Å; F52-F73 AromaticContact CE1-CG 3.93Å; F52-F73 HydrophobicContact CE1-CG 3.93Å; F52-F73 HydrophobicContact CE2-CD2 4.07Å; F52-F73 HydrophobicContact CE2-CE2 4.09Å; F52-F73 HydrophobicContact CG-CD2 4.23Å; F52-F73 HydrophobicContact CG-CE2 4.34Å; F52-F73 AromaticContact CZ-CD2 3.62Å; F52-F73 HydrophobicContact CZ-CD2 3.62Å; F52-F73 HydrophobicContact CZ-CE2 4.12Å; F54-F73 HydrophobicContact CE1-CD1 4.42Å; F54-F73 AromaticContact CZ-CD1 3.96Å; F54-F73 HydrophobicContact CZ-CD1 3.96Å; F54-F73 AromaticContact CZ-CE1 3.78Å; F54-F73 HydrophobicContact CZ-CE1 3.78Å; F54-F73 HydrophobicContact CZ-CZ 4.46Å; Q71-F73 PolarHBondContact O-N 3.26Å; F73-W80 WeakPolarHBondContact CD1-O 3.17Å; F73-W80 HydrophobicContact CD2-CB 4.15Å; F73-W80 HydrophobicContact CE1-CB 4.19Å; F73-W80 HydrophobicContact CE2-CB 3.63Å; F73-W80 HydrophobicContact CE2-CG 4.29Å; F73-W80 HydrophobicContact CZ-CB 3.65Å; F73-W80 PolarHBondContact N-O 3.09Å; F73-W80 PolarHBondContact O-N 3.16Å; F73-V82 HydrophobicContact CE1-CG2 4.04Å; F73-V82 HydrophobicContact CZ-CG2 4.17Å; F73-L95 HydrophobicContact CZ-CD1 4.07Å; F73-L195 HydrophobicContact CE2-CD2 4.21Å; F73-L195 HydrophobicContact CZ-CD2 3.67Å; F73-L197 HydrophobicContact CE2-CD1 4Å
74	Q	88.4	Confident	88.8	Confident	46 Å²	46	43.8 Å²	43.8	22%	0.215	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.1	-178.1	-171.6	173.3	-8.3	0	0	110.9	E77 H78 R422	Q74-E77 PolarHBondContact NE2-OE2 3.49Å; Q74-H78 CarbonylContact C-O 3.13Å; Q74-H78 VanDerWaalsContact CA-O 3.26Å; Q74-H78 WeakPolarHBondContact CA-O 3.07Å; Q74-R422 VanDerWaalsContact NE2-NH2 3.18Å
75	Y	91.1	Very high	89.3	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.2	169.9	177.6	-103.2	0	0	0	109.6	N48 Q50 E77 H78 W80 L136 L197 R198 P200	N48-Y75 PolarHBondContact O-OH 3.27Å; Q50-Y75 HydrophobicContact CB-CD2 4.07Å; Q50-Y75 HydrophobicContact CB-CE2 4.05Å; Q50-Y75 HydrophobicContact CG-CD2 4.09Å; Q50-Y75 HydrophobicContact CG-CE2 3.97Å; Y75-E77 PolarHBondContact O-N 3.28Å; Y75-H78 PolarHBondContact N-O 3.01Å; Y75-H78 PolarHBondContact O-N 2.91Å; Y75-H78 VanDerWaalsContact O-O 3.12Å; Y75-W80 PolarHBondContact O-NE1 3.36Å; Y75-L136 HydrophobicContact CD1-CD2 4.01Å; Y75-L136 HydrophobicContact CE1-CB 4.4Å; Y75-L136 HydrophobicContact CE1-CD2 3.84Å; Y75-L197 HydrophobicContact CD1-CB 4.01Å; Y75-L197 HydrophobicContact CD1-CD1 3.58Å; Y75-L197 HydrophobicContact CD1-CG 4.39Å; Y75-L197 HydrophobicContact CD2-CB 4.04Å; Y75-L197 HydrophobicContact CD2-CD1 4.07Å; Y75-L197 HydrophobicContact CE1-CB 3.69Å; Y75-L197 HydrophobicContact CE1-CD1 4.15Å; Y75-L197 HydrophobicContact CE1-CG 4.49Å; Y75-L197 HydrophobicContact CE2-CB 3.74Å; Y75-L197 HydrophobicContact CG-CB 4.15Å; Y75-L197 HydrophobicContact CG-CD1 3.52Å; Y75-L197 HydrophobicContact CG-CG 4.48Å; Y75-R198 VanDerWaalsContact OH-C 3.3Å; Y75-R198 VanDerWaalsContact OH-CA 3.29Å; Y75-R198 WeakPolarHBondContact OH-CA 3.27Å; Y75-R198 PolarHBondContact OH-N 3.25Å; Y75-P200 HydrophobicContact CE1-CB 3.78Å; Y75-P200 HydrophobicContact CE1-CG 4.25Å; Y75-P200 VanDerWaalsContact OH-CD 3.24Å; Y75-P200 WeakPolarHBondContact OH-CD 3.27Å; Y75-P200 WeakPolarHBondContact OH-CG 3.37Å
76	A	89.4	Confident	89.5	Confident	15 Å²	15	40.6 Å²	40.6	12%	0.124	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	36.4	-176.2	0	0	0	0	0	113.9	H78 P200 V202	A76-H78 PolarHBondContact O-CE1 3.29Å; A76-H78 PolarHBondContact O-N 3.03Å; A76-H78 PolarHBondContact O-ND1 3.26Å; A76-P200 HydrophobicContact CB-CB 3.51Å; A76-P200 HydrophobicContact CB-CG 4.23Å; A76-V202 HydrophobicContact CB-CG2 4.47Å
77	E	89.4	Confident	89.6	Confident	38 Å²	38	37 Å²	37	18%	0.178	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	19.5	-175.2	-54.8	-51.5	135.8	0	0	116.2	Q74 Y75 Y258 A259 Y420 R422	Q74-E77 PolarHBondContact NE2-OE2 3.49Å; Y75-E77 PolarHBondContact O-N 3.28Å; E77-Y258 HydrophobicContact CB-CE1 4.44Å; E77-Y258 HydrophobicContact CB-CE2 4.3Å; E77-Y258 HydrophobicContact CG-CE1 4.45Å; E77-A259 HydrophobicContact CB-CB 3.75Å; E77-A259 HydrophobicContact CG-CB 4.05Å; E77-A259 WeakPolarHBondContact O-CA 3.27Å; E77-Y420 HydrophobicContact CG-CD1 3.59Å; E77-Y420 HydrophobicContact CG-CE1 4.35Å; E77-Y420 HydrophobicContact CG-CG 3.93Å; E77-Y420 WeakPolarHBondContact OE2-CD1 3.39Å; E77-R422 IonicContact OE2-CZ 3.8Å; E77-R422 IonicContact OE2-NE 2.71Å; E77-R422 IonicContact OE2-NH2 3.26Å; E77-R422 PolarHBondContact OE2-NH2 2.73Å; E77-R422 VanDerWaalsContact OE2-NH2 3.08Å
78	H	90.1	Very high	89.5	Confident	16 Å²	16	38.6 Å²	38.6	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.2	175.8	-60.8	84.8	0	0	0	111	Q74 Y75 A76 W80 L97 K132 I134 Y258	Q74-H78 CarbonylContact C-O 3.13Å; Q74-H78 VanDerWaalsContact CA-O 3.26Å; Q74-H78 WeakPolarHBondContact CA-O 3.07Å; Y75-H78 PolarHBondContact N-O 3.01Å; Y75-H78 PolarHBondContact O-N 2.91Å; Y75-H78 VanDerWaalsContact O-O 3.12Å; A76-H78 PolarHBondContact O-CE1 3.29Å; A76-H78 PolarHBondContact O-N 3.03Å; A76-H78 PolarHBondContact O-ND1 3.26Å; H78-W80 HydrophobicContact CB-CZ2 4.37Å; H78-W80 PolarHBondContact O-NE1 2.73Å; H78-L97 HydrophobicContact CB-CD1 3.79Å; H78-K132 PolarHBondContact CD2-NZ 3.15Å; H78-K132 VanDerWaalsContact CD2-NZ 3.26Å; H78-K132 WeakPolarHBondContact NE2-CE 3.13Å; H78-K132 PolarHBondContact NE2-NZ 2.91Å; H78-I134 HydrophobicContact CB-CD1 4.05Å; H78-I134 WeakPolarHBondContact ND1-CD1 3.05Å; H78-Y258 AromaticContact CE1-CD2 3.96Å; H78-Y258 AromaticContact CE1-CE2 3.8Å; H78-Y258 AromaticContact NE2-CD2 3.97Å
79	E	90.9	Very high	89.6	Confident	110 Å²	110	42.5 Å²	42.5	51%	0.514	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.8	177.8	-66.4	-172.7	145.4	0	0	110.5	V72 I98	V72-E79 HydrophobicContact CG1-CB 3.67Å; V72-E79 HydrophobicContact CG1-CG 4.08Å; E79-I98 HydrophobicContact CB-CB 4.12Å; E79-I98 HydrophobicContact CB-CD1 4.01Å; E79-I98 HydrophobicContact CB-CG1 4.34Å; E79-I98 WeakPolarHBondContact O-CB 3.15Å; E79-I98 PolarHBondContact O-N 3.39Å
80	W	93.6	Very high	89.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.5	-174.9	-56.8	85.4	0	0	0	110	V72 F73 Y75 H78 L95 E96 L97 I134 L136 F161	V72-W80 WeakPolarHBondContact CA-O 3.34Å; F73-W80 WeakPolarHBondContact CD1-O 3.17Å; F73-W80 HydrophobicContact CD2-CB 4.15Å; F73-W80 HydrophobicContact CE1-CB 4.19Å; F73-W80 HydrophobicContact CE2-CB 3.63Å; F73-W80 HydrophobicContact CE2-CG 4.29Å; F73-W80 HydrophobicContact CZ-CB 3.65Å; F73-W80 PolarHBondContact N-O 3.09Å; F73-W80 PolarHBondContact O-N 3.16Å; Y75-W80 PolarHBondContact O-NE1 3.36Å; H78-W80 HydrophobicContact CB-CZ2 4.37Å; H78-W80 PolarHBondContact O-NE1 2.73Å; W80-L95 HydrophobicContact CB-CD1 4.37Å; W80-L95 HydrophobicContact CE3-CD1 4.02Å; W80-L95 HydrophobicContact CE3-CD2 4.33Å; W80-L95 HydrophobicContact CE3-CG 3.94Å; W80-L95 HydrophobicContact CZ3-CD2 4.38Å; W80-L95 HydrophobicContact CZ3-CG 4.26Å; W80-E96 WeakPolarHBondContact CA-O 3.22Å; W80-L97 HydrophobicContact CD2-CD1 4.1Å; W80-L97 HydrophobicContact CE3-CB 3.93Å; W80-L97 HydrophobicContact CE3-CD1 4.19Å; W80-L97 HydrophobicContact CH2-CB 4.01Å; W80-L97 HydrophobicContact CH2-CD1 3.82Å; W80-L97 HydrophobicContact CH2-CG 4.34Å; W80-L97 HydrophobicContact CZ2-CD1 3.7Å; W80-L97 HydrophobicContact CZ3-CB 3.58Å; W80-L97 HydrophobicContact CZ3-CD1 4.07Å; W80-L97 HydrophobicContact CZ3-CG 4.35Å; W80-I134 HydrophobicContact CH2-CG2 4.2Å; W80-I134 HydrophobicContact CZ2-CD1 4.16Å; W80-I134 HydrophobicContact CZ2-CG2 4Å; W80-L136 HydrophobicContact CH2-CD2 3.64Å; W80-L136 HydrophobicContact CZ2-CD2 3.71Å; W80-L136 HydrophobicContact CZ3-CD2 4.34Å; W80-F161 HydrophobicContact CH2-CB 4.21Å; W80-F161 HydrophobicContact CH2-CD1 4.11Å; W80-F161 AromaticContact CH2-CD2 3.89Å; W80-F161 HydrophobicContact CH2-CD2 3.89Å; W80-F161 HydrophobicContact CH2-CE1 4.49Å; W80-F161 HydrophobicContact CH2-CE2 4.31Å; W80-F161 AromaticContact CH2-CG 3.8Å; W80-F161 HydrophobicContact CH2-CG 3.8Å; W80-F161 HydrophobicContact CZ3-CB 4.5Å; W80-F161 AromaticContact CZ3-CD1 3.6Å; W80-F161 HydrophobicContact CZ3-CD1 3.6Å; W80-F161 HydrophobicContact CZ3-CD2 4.05Å; W80-F161 AromaticContact CZ3-CE1 3.71Å; W80-F161 HydrophobicContact CZ3-CE1 3.71Å; W80-F161 HydrophobicContact CZ3-CE2 4.17Å; W80-F161 AromaticContact CZ3-CG 3.79Å; W80-F161 HydrophobicContact CZ3-CG 3.79Å; W80-F161 HydrophobicContact CZ3-CZ 4.01Å
81	F	92.9	Very high	89.8	Confident	31 Å²	31	41.6 Å²	41.6	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.5	163.7	67.5	-79.6	0	0	0	109.5	E69 R83 E96 I98	E69-F81 HydrophobicContact CB-CD2 4.25Å; E69-F81 HydrophobicContact CG-CD2 4.06Å; E69-F81 HydrophobicContact CG-CE2 4.05Å; F81-R83 HydrophobicContact CD2-CB 4.44Å; F81-R83 HydrophobicContact CE2-CB 4.11Å; F81-E96 HydrophobicContact CD1-CB 4.05Å; F81-E96 HydrophobicContact CD2-CB 4.39Å; F81-E96 HydrophobicContact CE1-CB 3.53Å; F81-E96 HydrophobicContact CE2-CB 3.92Å; F81-E96 HydrophobicContact CE2-CG 4.31Å; F81-E96 HydrophobicContact CG-CB 4.45Å; F81-E96 HydrophobicContact CZ-CB 3.45Å; F81-E96 VanDerWaalsContact CZ-CB 3.45Å; F81-E96 HydrophobicContact CZ-CG 4.06Å; F81-E96 PolarHBondContact N-O 2.95Å; F81-E96 VanDerWaalsContact N-O 3.11Å; F81-E96 PolarHBondContact O-N 3.49Å; F81-I98 HydrophobicContact CD1-CD1 4Å; F81-I98 HydrophobicContact CD1-CG1 3.65Å; F81-I98 HydrophobicContact CE1-CG1 3.97Å
82	V	93.8	Very high	90.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.4	170.8	177.8	0	0	0	0	108.3	F54 E69 T70 F73 F84 Y94 L95 F140 L195	F54-V82 HydrophobicContact CE2-CG2 4.12Å; F54-V82 HydrophobicContact CZ-CG2 4.42Å; E69-V82 CarbonylContact C-O 3.52Å; E69-V82 WeakPolarHBondContact CA-O 3.41Å; T70-V82 HydrophobicContact CG2-CB 3.75Å; T70-V82 PolarHBondContact N-O 2.77Å; T70-V82 PolarHBondContact OG1-N 3.23Å; F73-V82 HydrophobicContact CE1-CG2 4.04Å; F73-V82 HydrophobicContact CZ-CG2 4.17Å; V82-F84 HydrophobicContact CB-CE2 4.31Å; V82-F84 HydrophobicContact CB-CZ 4.18Å; V82-F84 HydrophobicContact CG1-CD1 4.23Å; V82-F84 HydrophobicContact CG1-CD2 4.34Å; V82-F84 HydrophobicContact CG1-CE1 3.64Å; V82-F84 HydrophobicContact CG1-CE2 3.83Å; V82-F84 HydrophobicContact CG1-CZ 3.42Å; V82-F84 VanDerWaalsContact CG1-CZ 3.42Å; V82-Y94 CarbonylContact C-O 3.56Å; V82-Y94 WeakPolarHBondContact CA-O 3.23Å; V82-Y94 WeakPolarHBondContact CG1-O 3.32Å; V82-L95 HydrophobicContact CG2-CD1 4.21Å; V82-F140 HydrophobicContact CG1-CE1 3.66Å; V82-F140 HydrophobicContact CG1-CZ 3.9Å; V82-F140 HydrophobicContact CG2-CE1 3.96Å; V82-F140 HydrophobicContact CG2-CZ 4.07Å; V82-L195 HydrophobicContact CG2-CD2 3.71Å
83	R	92.2	Very high	90.6	Very high	45 Å²	45	35.4 Å²	35.4	17%	0.17	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.4	172.8	-172.3	175.1	169.9	110.6	0.2	109.5	E69 F81 E85 Y94 E96	E69-R83 HydrophobicContact CG-CB 4.3Å; E69-R83 HydrophobicContact CG-CG 4.04Å; E69-R83 IonicContact OE1-CZ 4Å; E69-R83 IonicContact OE1-NH1 3.13Å; E69-R83 PolarHBondContact OE1-NH1 3.49Å; F81-R83 HydrophobicContact CD2-CB 4.44Å; F81-R83 HydrophobicContact CE2-CB 4.11Å; R83-E85 HydrophobicContact CG-CG 4.06Å; R83-E85 IonicContact CZ-OE1 2.82Å; R83-E85 IonicContact NE-OE1 2.85Å; R83-E85 PolarHBondContact NE-OE1 3.49Å; R83-E85 IonicContact NH2-OE1 3.96Å; R83-E85 PolarHBondContact NH2-OE1 3.04Å; R83-Y94 PolarHBondContact N-O 3.16Å; R83-Y94 PolarHBondContact O-N 3.28Å; R83-E96 VanDerWaalsContact CB-OE1 3.29Å; R83-E96 WeakPolarHBondContact CB-OE1 3.38Å; R83-E96 WeakPolarHBondContact CD-OE1 3.49Å
84	F	91.8	Very high	90.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.3	173.1	-55.8	-77.9	0	0	0	107.9	L56 L60 Y67 V68 T70 V82 G92 F93 I193	L56-F84 HydrophobicContact CD1-CB 4.26Å; L56-F84 HydrophobicContact CD1-CD2 3.8Å; L56-F84 HydrophobicContact CD1-CE2 4.31Å; L56-F84 HydrophobicContact CD1-CG 3.98Å; L60-F84 HydrophobicContact CD2-CB 3.43Å; L60-F84 VanDerWaalsContact CD2-CB 3.43Å; Y67-F84 CarbonylContact C-O 3.6Å; Y67-F84 WeakPolarHBondContact CA-O 3.28Å; Y67-F84 WeakPolarHBondContact CB-O 3.29Å; V68-F84 HydrophobicContact CB-CB 4.5Å; V68-F84 HydrophobicContact CB-CD2 4.48Å; V68-F84 HydrophobicContact CG1-CD2 4.26Å; V68-F84 PolarHBondContact N-O 2.9Å; V68-F84 PolarHBondContact O-N 3.38Å; T70-F84 HydrophobicContact CG2-CE2 3.58Å; T70-F84 HydrophobicContact CG2-CZ 4.24Å; V82-F84 HydrophobicContact CB-CE2 4.31Å; V82-F84 HydrophobicContact CB-CZ 4.18Å; V82-F84 HydrophobicContact CG1-CD1 4.23Å; V82-F84 HydrophobicContact CG1-CD2 4.34Å; V82-F84 HydrophobicContact CG1-CE1 3.64Å; V82-F84 HydrophobicContact CG1-CE2 3.83Å; V82-F84 HydrophobicContact CG1-CZ 3.42Å; V82-F84 VanDerWaalsContact CG1-CZ 3.42Å; F84-G92 WeakPolarHBondContact CA-O 3.42Å; F84-F93 AromaticContact CD1-CD1 3.55Å; F84-F93 HydrophobicContact CD1-CD1 3.55Å; F84-F93 AromaticContact CD1-CE1 3.89Å; F84-F93 HydrophobicContact CD1-CE1 3.89Å; F84-F93 AromaticContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CE1 4.29Å; F84-I193 HydrophobicContact CD1-CD1 3.83Å; F84-I193 HydrophobicContact CE1-CB 4.46Å; F84-I193 HydrophobicContact CE1-CD1 3.38Å; F84-I193 HydrophobicContact CE1-CG1 4.49Å; F84-I193 HydrophobicContact CE1-CG2 4.15Å; F84-I193 HydrophobicContact CZ-CD1 4.04Å
85	E	91	Very high	91.2	Very high	46 Å²	46	34.4 Å²	34.4	22%	0.215	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.3	178.7	-61.5	-171.3	163.5	0	0	109.9	R83 G92 Y94 R167	R83-E85 HydrophobicContact CG-CG 4.06Å; R83-E85 IonicContact CZ-OE1 2.82Å; R83-E85 IonicContact NE-OE1 2.85Å; R83-E85 PolarHBondContact NE-OE1 3.49Å; R83-E85 IonicContact NH2-OE1 3.96Å; R83-E85 PolarHBondContact NH2-OE1 3.04Å; E85-G92 PolarHBondContact N-O 2.82Å; E85-G92 PolarHBondContact O-N 3.35Å; E85-Y94 HydrophobicContact CB-CE2 4.05Å; E85-Y94 HydrophobicContact CG-CD2 4.03Å; E85-Y94 HydrophobicContact CG-CE2 3.92Å; E85-Y94 WeakPolarHBondContact OE2-CE2 3.38Å; E85-R167 IonicContact OE1-NH1 3.93Å; E85-R167 PolarHBondContact OE1-NH1 3.49Å
86	R	89	Confident	91.3	Very high	62 Å²	62	35 Å²	35	23%	0.234	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.7	174.9	171.9	174.8	173.3	148.6	2.2	109.9	L60 L61 N66 L91 L176	L60-R86 HydrophobicContact CD1-CB 3.55Å; L60-R86 HydrophobicContact CG-CB 4.14Å; L60-R86 WeakPolarHBondContact O-CD 3.48Å; L60-R86 PolarHBondContact O-NH1 3.2Å; L61-R86 PolarHBondContact O-NH1 3.31Å; N66-R86 PolarHBondContact O-N 3.21Å; R86-L91 HydrophobicContact CB-CD1 4.4Å; R86-L176 HydrophobicContact CG-CD1 4.23Å
87	T	88.2	Confident	91.5	Very high	39 Å²	39	35 Å²	35	24%	0.239	17%	0.171	C	C	.	.			trans	-103.9	177.2	162.3	65.3	0	0	0	0	109.6	T89 H90	T87-T89 PolarHBondContact O-N 2.77Å; T87-T89 VanDerWaalsContact O-N 3.16Å; T87-H90 PolarHBondContact N-O 3.45Å; T87-H90 WeakPolarHBondContact OG1-CA 3.16Å; T87-H90 PolarHBondContact OG1-N 3.06Å; T87-H90 PolarHBondContact OG1-O 3.24Å
88	D	86.1	Confident	91.4	Very high	158 Å²	158	36.3 Å²	36.3	85%	0.845	18%	0.179	S	C	*	.	S	Bend	trans	-58.9	-30.3	180	-59.5	-32.1	0	0	0	113.2
89	T	88.8	Confident	90.9	Very high	85 Å²	85	37.4 Å²	37.4	52%	0.521	19%	0.187	S	C	.	.	S	Bend	trans	-118.6	-28	-172	45.2	0	0	0	0	113.7	T87 L176	T87-T89 PolarHBondContact O-N 2.77Å; T87-T89 VanDerWaalsContact O-N 3.16Å; T89-L176 PolarHBondContact O-N 3.29Å
90	H	90.7	Very high	89.7	Confident	41 Å²	41	39.6 Å²	39.6	19%	0.19	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.6	-171.9	-54.9	77.4	0	0	0	112.7	T87 N172 I174 D175	T87-H90 PolarHBondContact N-O 3.45Å; T87-H90 WeakPolarHBondContact OG1-CA 3.16Å; T87-H90 PolarHBondContact OG1-N 3.06Å; T87-H90 PolarHBondContact OG1-O 3.24Å; H90-N172 HydrophobicContact CB-CB 4.29Å; H90-I174 WeakPolarHBondContact CA-O 3.27Å; H90-D175 IonicContact CD2-OD1 3.81Å; H90-D175 PolarHBondContact CD2-OD1 3.48Å; H90-D175 IonicContact CG-OD1 2.72Å; H90-D175 IonicContact NE2-OD1 2.82Å; H90-D175 PolarHBondContact NE2-OD1 2.89Å; H90-D175 VanDerWaalsContact NE2-OD1 3.08Å
91	L	90.8	Very high	87.7	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.4	166.8	-174.9	67.8	0	0	0	109.4	L56 L60 L61 R86 F93 K171 A173 I174 L176	L56-L91 HydrophobicContact CD2-CD2 4Å; L60-L91 HydrophobicContact CD2-CD1 3.75Å; L60-L91 HydrophobicContact CG-CD1 4.2Å; L61-L91 HydrophobicContact CD2-CD2 3.93Å; R86-L91 HydrophobicContact CB-CD1 4.4Å; L91-F93 HydrophobicContact CD2-CE1 3.61Å; L91-F93 HydrophobicContact CD2-CZ 4.03Å; L91-F93 HydrophobicContact CG-CD1 4.48Å; L91-F93 HydrophobicContact CG-CE1 3.67Å; L91-F93 HydrophobicContact CG-CZ 4.3Å; L91-K171 CarbonylContact C-O 3.6Å; L91-A173 WeakPolarHBondContact O-CA 3.49Å; L91-A173 VanDerWaalsContact O-CB 3.3Å; L91-A173 WeakPolarHBondContact O-CB 3.33Å; L91-A173 PolarHBondContact O-N 2.99Å; L91-I174 HydrophobicContact CB-CG2 3.86Å; L91-I174 HydrophobicContact CD2-CG2 4.27Å; L91-I174 PolarHBondContact N-O 3.48Å; L91-I174 PolarHBondContact O-N 3.08Å; L91-L176 HydrophobicContact CB-CD2 4.23Å
92	G	91.5	Very high	85.2	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.4	-179.7	0	0	0	0	0	112.9	F84 E85 R170 K171	F84-G92 WeakPolarHBondContact CA-O 3.42Å; E85-G92 PolarHBondContact N-O 2.82Å; E85-G92 PolarHBondContact O-N 3.35Å; G92-R170 CarbonylContact C-O 3.55Å; G92-R170 WeakPolarHBondContact CA-O 3.4Å; G92-K171 WeakPolarHBondContact CA-O 3.3Å; G92-K171 PolarHBondContact N-O 3.36Å
93	F	93.1	Very high	82.3	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.9	-177.5	-50.8	-37.7	0	0	0	110.2	F84 L91 F140 I142 G169 R170 A173 I174 I193	F84-F93 AromaticContact CD1-CD1 3.55Å; F84-F93 HydrophobicContact CD1-CD1 3.55Å; F84-F93 AromaticContact CD1-CE1 3.89Å; F84-F93 HydrophobicContact CD1-CE1 3.89Å; F84-F93 AromaticContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CD1 3.96Å; F84-F93 HydrophobicContact CE1-CE1 4.29Å; L91-F93 HydrophobicContact CD2-CE1 3.61Å; L91-F93 HydrophobicContact CD2-CZ 4.03Å; L91-F93 HydrophobicContact CG-CD1 4.48Å; L91-F93 HydrophobicContact CG-CE1 3.67Å; L91-F93 HydrophobicContact CG-CZ 4.3Å; F93-F140 HydrophobicContact CB-CD1 4.31Å; F93-F140 HydrophobicContact CB-CD2 4.16Å; F93-F140 HydrophobicContact CB-CE1 4.39Å; F93-F140 HydrophobicContact CB-CE2 4.24Å; F93-F140 HydrophobicContact CB-CG 4.18Å; F93-F140 HydrophobicContact CB-CZ 4.34Å; F93-F140 HydrophobicContact CD2-CB 4.09Å; F93-F140 HydrophobicContact CD2-CG 4.3Å; F93-I142 HydrophobicContact CE2-CD1 3.64Å; F93-I142 HydrophobicContact CE2-CG1 3.78Å; F93-I142 HydrophobicContact CZ-CD1 3.44Å; F93-I142 VanDerWaalsContact CZ-CD1 3.44Å; F93-I142 HydrophobicContact CZ-CG1 3.78Å; F93-G169 CarbonylContact O-C 3.58Å; F93-G169 WeakPolarHBondContact O-CA 3.46Å; F93-R170 PolarHBondContact N-O 3.38Å; F93-R170 PolarHBondContact O-N 3.28Å; F93-A173 HydrophobicContact CD2-CB 3.36Å; F93-A173 HydrophobicContact CE2-CB 3.42Å; F93-A173 VanDerWaalsContact CE2-CB 3.42Å; F93-A173 HydrophobicContact CG-CB 4.01Å; F93-A173 HydrophobicContact CZ-CB 4.12Å; F93-I174 HydrophobicContact CZ-CG2 4.29Å; F93-I193 HydrophobicContact CE1-CD1 3.93Å; F93-I193 HydrophobicContact CZ-CD1 4.26Å
94	Y	94.1	Very high	79.4	Confident	30 Å²	30	63.2 Å²	63.2	12%	0.118	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127.5	178.7	-58.4	-85.8	0	0	0	109.8	V82 R83 E85 R167 H168 K171	V82-Y94 CarbonylContact C-O 3.56Å; V82-Y94 WeakPolarHBondContact CA-O 3.23Å; V82-Y94 WeakPolarHBondContact CG1-O 3.32Å; R83-Y94 PolarHBondContact N-O 3.16Å; R83-Y94 PolarHBondContact O-N 3.28Å; E85-Y94 HydrophobicContact CB-CE2 4.05Å; E85-Y94 HydrophobicContact CG-CD2 4.03Å; E85-Y94 HydrophobicContact CG-CE2 3.92Å; E85-Y94 WeakPolarHBondContact OE2-CE2 3.38Å; Y94-R167 HydrophobicContact CD1-CG 3.88Å; Y94-R167 HydrophobicContact CG-CG 4.25Å; Y94-H168 WeakPolarHBondContact CA-O 3.37Å; Y94-K171 VanDerWaalsContact OH-CA 3.23Å; Y94-K171 WeakPolarHBondContact OH-CA 3.36Å; Y94-K171 VanDerWaalsContact OH-CB 3.23Å; Y94-K171 WeakPolarHBondContact OH-CB 3.44Å; Y94-K171 WeakPolarHBondContact OH-CG 3.41Å
95	L	96.2	Very high	76.3	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.7	165.6	-179.4	61.2	0	0	0	107.7	F73 W80 V82 L136 F138 F140 F161 H168 L195 L197	F73-L95 HydrophobicContact CZ-CD1 4.07Å; W80-L95 HydrophobicContact CB-CD1 4.37Å; W80-L95 HydrophobicContact CE3-CD1 4.02Å; W80-L95 HydrophobicContact CE3-CD2 4.33Å; W80-L95 HydrophobicContact CE3-CG 3.94Å; W80-L95 HydrophobicContact CZ3-CD2 4.38Å; W80-L95 HydrophobicContact CZ3-CG 4.26Å; V82-L95 HydrophobicContact CG2-CD1 4.21Å; L95-L136 HydrophobicContact CD2-CD1 4.22Å; L95-F138 HydrophobicContact CD2-CB 4.03Å; L95-F138 HydrophobicContact CD2-CD1 4.11Å; L95-F138 HydrophobicContact CD2-CG 4.04Å; L95-F140 HydrophobicContact CB-CE2 4.27Å; L95-F140 HydrophobicContact CB-CZ 4.17Å; L95-F161 HydrophobicContact CB-CZ 4.35Å; L95-F161 HydrophobicContact CD2-CE1 4.5Å; L95-F161 HydrophobicContact CD2-CE2 4.47Å; L95-F161 HydrophobicContact CD2-CZ 3.83Å; L95-F161 HydrophobicContact CG-CE1 4.3Å; L95-F161 HydrophobicContact CG-CZ 4.09Å; L95-H168 PolarHBondContact N-O 3.21Å; L95-H168 PolarHBondContact O-N 3.33Å; L95-L195 HydrophobicContact CD1-CD2 3.93Å; L95-L197 HydrophobicContact CD2-CD2 3.7Å
96	E	93.7	Very high	73.1	Confident	15 Å²	15	72.6 Å²	72.6	7%	0.07	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.5	-176.5	-69.9	-173.3	-128.7	0	0	111.3	W80 F81 R83 C166 R167	W80-E96 WeakPolarHBondContact CA-O 3.22Å; F81-E96 HydrophobicContact CD1-CB 4.05Å; F81-E96 HydrophobicContact CD2-CB 4.39Å; F81-E96 HydrophobicContact CE1-CB 3.53Å; F81-E96 HydrophobicContact CE2-CB 3.92Å; F81-E96 HydrophobicContact CE2-CG 4.31Å; F81-E96 HydrophobicContact CG-CB 4.45Å; F81-E96 HydrophobicContact CZ-CB 3.45Å; F81-E96 VanDerWaalsContact CZ-CB 3.45Å; F81-E96 HydrophobicContact CZ-CG 4.06Å; F81-E96 PolarHBondContact N-O 2.95Å; F81-E96 VanDerWaalsContact N-O 3.11Å; F81-E96 PolarHBondContact O-N 3.49Å; R83-E96 VanDerWaalsContact CB-OE1 3.29Å; R83-E96 WeakPolarHBondContact CB-OE1 3.38Å; R83-E96 WeakPolarHBondContact CD-OE1 3.49Å; E96-C166 WeakPolarHBondContact CA-O 3.33Å; E96-R167 VanDerWaalsContact CD-CZ 3.48Å; E96-R167 VanDerWaalsContact CD-NH2 3.25Å; E96-R167 HydrophobicContact CG-CB 3.8Å; E96-R167 HydrophobicContact CG-CG 3.65Å; E96-R167 IonicContact OE1-CZ 2.66Å; E96-R167 IonicContact OE1-NE 3.96Å; E96-R167 PolarHBondContact OE1-NE 3.09Å; E96-R167 IonicContact OE1-NH1 3.55Å; E96-R167 IonicContact OE1-NH2 3.17Å; E96-R167 PolarHBondContact OE1-NH2 2.66Å; E96-R167 IonicContact OE2-CZ 2.7Å; E96-R167 IonicContact OE2-NE 2.81Å; E96-R167 PolarHBondContact OE2-NE 3.46Å; E96-R167 IonicContact OE2-NH2 3.71Å; E96-R167 PolarHBondContact OE2-NH2 3.21Å
97	L	92.7	Very high	70.1	Confident	13 Å²	13	75.4 Å²	75.4	7%	0.068	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.3	172.1	176.6	63.8	0	0	0	109.2	H78 W80 T99 I134 F161 C166	H78-L97 HydrophobicContact CB-CD1 3.79Å; W80-L97 HydrophobicContact CD2-CD1 4.1Å; W80-L97 HydrophobicContact CE3-CB 3.93Å; W80-L97 HydrophobicContact CE3-CD1 4.19Å; W80-L97 HydrophobicContact CH2-CB 4.01Å; W80-L97 HydrophobicContact CH2-CD1 3.82Å; W80-L97 HydrophobicContact CH2-CG 4.34Å; W80-L97 HydrophobicContact CZ2-CD1 3.7Å; W80-L97 HydrophobicContact CZ3-CB 3.58Å; W80-L97 HydrophobicContact CZ3-CD1 4.07Å; W80-L97 HydrophobicContact CZ3-CG 4.35Å; L97-T99 HydrophobicContact CD2-CG2 3.86Å; L97-T99 HydrophobicContact CG-CG2 3.91Å; L97-T99 PolarHBondContact O-N 3.14Å; L97-T99 VanDerWaalsContact O-N 3.14Å; L97-I134 HydrophobicContact CD1-CD1 3.82Å; L97-I134 HydrophobicContact CD2-CD1 3.76Å; L97-I134 HydrophobicContact CG-CD1 4.47Å; L97-F161 HydrophobicContact CB-CB 4.43Å; L97-F161 HydrophobicContact CB-CD1 4.18Å; L97-F161 HydrophobicContact CD2-CB 4.05Å; L97-C166 HydrophobicContact CB-CB 4.31Å; L97-C166 PolarHBondContact N-O 3.45Å
98	I	88.2	Confident	67.2	Low	66 Å²	66	78.6 Å²	78.6	34%	0.338	41%	0.414	S	S	.	.			trans	-73.5	110.1	171.6	-58.2	-174.8	0	0	0	108	V72 E79 F81	V72-I98 HydrophobicContact CB-CD1 4.25Å; V72-I98 HydrophobicContact CG1-CD1 3.61Å; V72-I98 HydrophobicContact CG2-CD1 3.6Å; E79-I98 HydrophobicContact CB-CB 4.12Å; E79-I98 HydrophobicContact CB-CD1 4.01Å; E79-I98 HydrophobicContact CB-CG1 4.34Å; E79-I98 WeakPolarHBondContact O-CB 3.15Å; E79-I98 PolarHBondContact O-N 3.39Å; F81-I98 HydrophobicContact CD1-CD1 4Å; F81-I98 HydrophobicContact CD1-CG1 3.65Å; F81-I98 HydrophobicContact CE1-CG1 3.97Å
99	T	80.2	Confident	64.4	Low	40 Å²	40	79.6 Å²	79.6	25%	0.245	42%	0.419	C	S	.	.			trans	-106.2	134.3	172.4	59.7	0	0	0	0	108.4	L97 K101 C166	L97-T99 HydrophobicContact CD2-CG2 3.86Å; L97-T99 HydrophobicContact CG-CG2 3.91Å; L97-T99 PolarHBondContact O-N 3.14Å; L97-T99 VanDerWaalsContact O-N 3.14Å; T99-K101 VanDerWaalsContact C-N 3.33Å; T99-K101 PolarHBondContact O-N 2.98Å; T99-C166 HydrophobicContact CG2-CB 4.31Å
100	Q	64.3	Low	61.6	Low	155 Å²	155	82.3 Å²	82.3	72%	0.724	43%	0.429	S	S	*	.			trans	-65.5	101.1	166.6	-69.9	175.7	-18	0	0	106.1	S102	Q100-S102 VanDerWaalsContact C-N 3.34Å; Q100-S102 PolarHBondContact O-N 3.41Å
101	K	51.7	Low	58.6	Low	177 Å²	177	86.3 Å²	86.3	77%	0.77	46%	0.456	S	S	*	.			trans	-60.3	106.6	164.6	-74.1	-175.1	179	-179.5	0	105.1	T99 E103	T99-K101 VanDerWaalsContact C-N 3.33Å; T99-K101 PolarHBondContact O-N 2.98Å; K101-E103 PolarHBondContact O-N 3.22Å
102	S	41.8	Very low	55.7	Low	62 Å²	62	92.1 Å²	92.1	43%	0.434	50%	0.497	S	S	.	.			trans	-53.6	115.2	172.6	56.6	0	0	0	0	106.8	Q100 N104 C105	Q100-S102 VanDerWaalsContact C-N 3.34Å; Q100-S102 PolarHBondContact O-N 3.41Å; S102-N104 PolarHBondContact O-N 3.29Å; S102-C105 PolarHBondContact O-N 3.25Å
103	E	31.3	Very low	52.8	Low	186 Å²	186	96.9 Å²	96.9	87%	0.869	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	9.9	-175.6	-70	-177.6	151.1	0	0	114.1	K101	K101-E103 PolarHBondContact O-N 3.22Å
104	N	31.4	Very low	50	Low	148 Å²	148	105.4 Å²	105.4	79%	0.791	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	14.3	-177.1	-68.8	-12	0	0	0	114.9	S102	S102-N104 PolarHBondContact O-N 3.29Å
105	C	26.6	Very low	47	Very low	79 Å²	79	111.5 Å²	111.5	53%	0.534	60%	0.603	S	S	.	*			trans	-118.3	40.6	172.1	-71.5	0	0	0	0	113.2	S102	S102-C105 PolarHBondContact O-N 3.25Å
106	E	24.5	Very low	43.9	Very low	163 Å²	163	116.9 Å²	116.9	76%	0.762	64%	0.637	S	S	*	*			trans	-105.5	82.6	158.1	-76.5	-162.5	175.7	0	0	109.8
107	T	27.1	Very low	41	Very low	121 Å²	121	123.2 Å²	123.2	74%	0.742	67%	0.67	S	S	*	*	S	Bend	trans	-149.6	100.1	152.8	9.9	0	0	0	0	110.1
108	T	26.7	Very low	38	Very low	106 Å²	106	129.9 Å²	129.9	65%	0.65	71%	0.706	S	S	*	*			trans	48.7	92.4	139.2	55.8	0	0	0	0	116.4	I110	T108-I110 PolarHBondContact O-N 3.45Å
109	L	27.3	Very low	35.2	Very low	179 Å²	179	136.7 Å²	136.7	94%	0.937	73%	0.733	S	S	*	*			trans	-56.3	87.1	146.4	-72.7	159.9	0	0	0	108.1	T111	L109-T111 PolarHBondContact O-N 2.65Å
110	I	29.7	Very low	32.8	Very low	143 Å²	143	139.4 Å²	139.4	73%	0.733	75%	0.754	S	S	*	*			trans	-78.9	104.5	164.8	-57.9	179.6	0	0	0	105.3	T108 S112	T108-I110 PolarHBondContact O-N 3.45Å; I110-S112 PolarHBondContact O-N 2.99Å
111	T	28.7	Very low	31.2	Very low	124 Å²	124	138.8 Å²	138.8	76%	0.761	76%	0.756	S	S	*	*			trans	-47.5	127.3	168.4	21.9	0	0	0	0	110.3	L109 S113	L109-T111 PolarHBondContact O-N 2.65Å; T111-S113 PolarHBondContact O-N 3.33Å; T111-S113 VanDerWaalsContact O-N 3.08Å
112	S	28.8	Very low	30.5	Very low	122 Å²	122	139 Å²	139	85%	0.853	76%	0.759	S	S	*	*	S	Bend	trans	-43.9	109.3	169.9	-173	0	0	0	0	111.7	I110	I110-S112 PolarHBondContact O-N 2.99Å
113	S	30.8	Very low	30	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	78%	0.778	S	S	*	*			trans	179.8	144.5	136.7	49.6	0	0	0	0	109	T111	T111-S113 PolarHBondContact O-N 3.33Å; T111-S113 VanDerWaalsContact O-N 3.08Å
114	Q	33.6	Very low	30.2	Very low	184 Å²	184	140 Å²	140	86%	0.86	77%	0.769	S	S	*	*			trans	94.5	98.3	179.2	-55	178.8	7.3	0	0	114.5	P116	Q114-P116 WeakPolarHBondContact O-CD 3.43Å
115	I	31.9	Very low	30.4	Very low	158 Å²	158	136.7 Å²	136.7	81%	0.81	76%	0.762	S	S	*	*			trans	-56.2	125.3	162.9	-60.2	158.4	0	0	0	108	I117	I115-I117 HydrophobicContact CG2-CG1 4.1Å
116	P	31.9	Very low	30.9	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	78%	0.775	S	S	*	*				-130.6	122.2	126.1	32.1	-20.8	0	0	0	110.4	Q114 N118	Q114-P116 WeakPolarHBondContact O-CD 3.43Å; P116-N118 PolarHBondContact O-N 2.86Å
117	I	31.3	Very low	31.6	Very low	149 Å²	149	144.3 Å²	144.3	76%	0.764	78%	0.778	S	S	*	*			trans	-54.1	108.5	164.3	-61.6	159	0	0	0	107	I115	I115-I117 HydrophobicContact CG2-CG1 4.1Å
118	N	31.2	Very low	32.7	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	76%	0.761	S	S	*	*			trans	-158.2	124.2	153.2	-89.8	-29	0	0	0	110	P116 S120	P116-N118 PolarHBondContact O-N 2.86Å; N118-S120 PolarHBondContact O-N 3.4Å
119	K	29.6	Very low	34	Very low	209 Å²	209	139 Å²	139	91%	0.909	75%	0.746	S	S	*	*			trans	-64.6	118.1	179.1	-62.5	169	175.9	179	0	109.9
120	S	28.7	Very low	35.8	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	72%	0.716	S	S	*	*			trans	169.7	132.8	143.7	49.7	0	0	0	0	109.6	N118	N118-S120 PolarHBondContact O-N 3.4Å
121	D	30.8	Very low	37.9	Very low	142 Å²	142	133.9 Å²	133.9	76%	0.759	71%	0.708	S	S	*	*			trans	67.5	70.5	156.9	-51.5	-20.3	0	0	0	115.7	N123	D121-N123 PolarHBondContact O-N 3.13Å
122	H	36.5	Very low	40.7	Very low	182 Å²	182	130 Å²	130	84%	0.843	68%	0.681	S	S	*	*			trans	-59.8	87.1	149.9	-73.1	-60.9	0	0	0	108.6	V124	H122-V124 HydrophobicContact CB-CG2 3.93Å; H122-V124 PolarHBondContact O-N 3.3Å
123	N	31.4	Very low	43.7	Very low	156 Å²	156	126.1 Å²	126.1	83%	0.834	65%	0.652	S	S	*	*			trans	-61.9	74.9	148.4	-79.8	-30.6	0	0	0	106.6	D121 A125	D121-N123 PolarHBondContact O-N 3.13Å; N123-A125 VanDerWaalsContact C-N 3.25Å; N123-A125 PolarHBondContact O-N 3.21Å
124	V	36.1	Very low	46.7	Very low	113 Å²	113	121.3 Å²	121.3	69%	0.685	62%	0.618	S	S	*	*			trans	-57.4	102.2	164.3	179.5	0	0	0	0	103.7	H122 K126	H122-V124 HydrophobicContact CB-CG2 3.93Å; H122-V124 PolarHBondContact O-N 3.3Å; V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 3.28Å
125	A	35.4	Very low	49.6	Very low	77 Å²	77	113.9 Å²	113.9	64%	0.636	59%	0.585	S	S	*	*			trans	-45.7	106.3	170.3	0	0	0	0	0	106	N123 R127	N123-A125 VanDerWaalsContact C-N 3.25Å; N123-A125 PolarHBondContact O-N 3.21Å; A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 2.6Å
126	K	36.6	Very low	52.6	Low	185 Å²	185	106.3 Å²	106.3	80%	0.804	55%	0.547	S	S	*	.			trans	-57.2	105	-178.2	-78.9	-177	177	-178.9	0	105	V124	V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 3.28Å
127	R	40	Very low	55.7	Low	217 Å²	217	102.1 Å²	102.1	82%	0.819	52%	0.518	S	S	*	.			trans	-51.6	137.9	172.1	-71.4	-177.9	-179.4	170.3	-0.2	106.4	A125 T129	A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 2.6Å; R127-T129 PolarHBondContact O-N 2.94Å
128	P	48.9	Very low	58.8	Low	62 Å²	62	95.2 Å²	95.2	40%	0.403	48%	0.482	S	S	.	.			trans	-52.9	118.6	177.7	19.9	-29.7	0	0	0	108.2	Q130	P128-Q130 PolarHBondContact O-N 3.21Å
129	T	54.5	Low	61.9	Low	54 Å²	54	90.3 Å²	90.3	33%	0.331	46%	0.455	S	S	.	.	S	Bend	trans	-74.5	-1.5	-174.6	49.2	0	0	0	0	112.9	R127 D254	R127-T129 PolarHBondContact O-N 2.94Å; T129-D254 WeakPolarHBondContact CB-OD2 3.41Å; T129-D254 VanDerWaalsContact CG2-OD2 3.3Å; T129-D254 WeakPolarHBondContact CG2-OD2 3.44Å; T129-D254 PolarHBondContact OG1-OD2 2.9Å
130	Q	65.9	Low	65.1	Low	63 Å²	63	80.4 Å²	80.4	29%	0.294	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.9	175.9	59.7	-177.2	-32.9	0	0	109.1	P128 K205 L206	P128-Q130 PolarHBondContact O-N 3.21Å; Q130-K205 WeakPolarHBondContact CA-O 3.36Å; Q130-L206 HydrophobicContact CB-CD2 4.42Å
131	W	74	Confident	68.1	Low	151 Å²	151	76.4 Å²	76.4	57%	0.572	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.9	163.3	38.2	57.7	0	0	0	108.3	K205	W131-K205 VanDerWaalsContact CD1-CD 3.42Å; W131-K205 PolarHBondContact N-O 3.16Å; W131-K205 PolarHBondContact O-N 2.73Å
132	K	87	Confident	71	Confident	44 Å²	44	69.8 Å²	69.8	19%	0.191	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133	-172.5	-178.3	172.4	-172.9	172.9	0	108.6	H78 I204 S257	H78-K132 PolarHBondContact CD2-NZ 3.15Å; H78-K132 VanDerWaalsContact CD2-NZ 3.26Å; H78-K132 WeakPolarHBondContact NE2-CE 3.13Å; H78-K132 PolarHBondContact NE2-NZ 2.91Å; K132-I204 HydrophobicContact CG-CG1 4.25Å; K132-S257 PolarHBondContact NZ-O 2.86Å
133	T	91.1	Very high	73.5	Confident	40 Å²	40	62.7 Å²	62.7	25%	0.245	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.8	-174	-56.1	0	0	0	0	108	T160 F161 T162 C203	T133-T160 HydrophobicContact CG2-CG2 3.18Å; T133-F161 WeakPolarHBondContact CA-O 3.47Å; T133-T162 HydrophobicContact CG2-CG2 4.39Å; T133-C203 PolarHBondContact N-O 3.17Å; T133-C203 PolarHBondContact O-N 2.69Å
134	I	93.6	Very high	76.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.4	175.6	-54.2	173.1	0	0	0	107.8	H78 W80 L97 L136 F161 H201 V202	H78-I134 HydrophobicContact CB-CD1 4.05Å; H78-I134 WeakPolarHBondContact ND1-CD1 3.05Å; W80-I134 HydrophobicContact CH2-CG2 4.2Å; W80-I134 HydrophobicContact CZ2-CD1 4.16Å; W80-I134 HydrophobicContact CZ2-CG2 4Å; L97-I134 HydrophobicContact CD1-CD1 3.82Å; L97-I134 HydrophobicContact CD2-CD1 3.76Å; L97-I134 HydrophobicContact CG-CD1 4.47Å; I134-L136 HydrophobicContact CG2-CD2 4.37Å; I134-F161 HydrophobicContact CB-CB 4.43Å; I134-F161 PolarHBondContact N-O 3.16Å; I134-F161 PolarHBondContact O-N 2.96Å; I134-H201 CarbonylContact C-O 3.56Å; I134-H201 WeakPolarHBondContact CA-O 3.45Å; I134-V202 HydrophobicContact CG1-CG1 4.33Å; I134-V202 HydrophobicContact CG1-CG2 4.25Å; I134-V202 HydrophobicContact CG2-CG2 4.13Å
135	T	95	Very high	78.5	Confident	27 Å²	27	52.8 Å²	52.8	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.2	174.1	33.8	0	0	0	0	109.5	C159 T160 P200 H201	T135-C159 WeakPolarHBondContact CA-O 3.32Å; T135-T160 HydrophobicContact CG2-CG2 3.92Å; T135-T160 WeakPolarHBondContact CG2-OG1 3.44Å; T135-P200 CarbonylContact O-C 3.53Å; T135-P200 WeakPolarHBondContact O-CA 3.19Å; T135-H201 PolarHBondContact N-O 3.15Å; T135-H201 PolarHBondContact O-N 2.94Å; T135-H201 VanDerWaalsContact OG1-CB 3.28Å; T135-H201 WeakPolarHBondContact OG1-CB 3.11Å; T135-H201 PolarHBondContact OG1-ND1 3.01Å; T135-H201 PolarHBondContact OG1-O 3.5Å
136	L	96	Very high	80.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	162	175.4	60.4	80.8	0	0	0	111.7	Y75 W80 L95 I134 F138 C159 F161 L197	Y75-L136 HydrophobicContact CD1-CD2 4.01Å; Y75-L136 HydrophobicContact CE1-CB 4.4Å; Y75-L136 HydrophobicContact CE1-CD2 3.84Å; W80-L136 HydrophobicContact CH2-CD2 3.64Å; W80-L136 HydrophobicContact CZ2-CD2 3.71Å; W80-L136 HydrophobicContact CZ3-CD2 4.34Å; L95-L136 HydrophobicContact CD2-CD1 4.22Å; I134-L136 HydrophobicContact CG2-CD2 4.37Å; L136-F138 HydrophobicContact CD1-CB 3.79Å; L136-F138 HydrophobicContact CD1-CD1 3.92Å; L136-F138 HydrophobicContact CD1-CG 4.35Å; L136-C159 PolarHBondContact N-O 3.23Å; L136-C159 VanDerWaalsContact N-O 3.07Å; L136-C159 WeakPolarHBondContact O-CB 3.3Å; L136-C159 PolarHBondContact O-N 3.34Å; L136-F161 HydrophobicContact CD1-CE2 3.93Å; L136-F161 HydrophobicContact CD2-CE2 4.39Å; L136-F161 HydrophobicContact CG-CD2 4.31Å; L136-F161 HydrophobicContact CG-CE2 3.98Å; L136-L197 HydrophobicContact CD1-CD2 4.05Å
137	D	96.7	Very high	82.7	Confident	24 Å²	24	47 Å²	47	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.6	167	-60.8	-28.7	0	0	0	108.9	K156 S157 N158 L197 R198 N199	D137-K156 WeakPolarHBondContact CA-O 3.28Å; D137-S157 WeakPolarHBondContact OD1-CA 3.09Å; D137-S157 VanDerWaalsContact OD1-CB 3.27Å; D137-S157 WeakPolarHBondContact OD1-CB 3.04Å; D137-N158 PolarHBondContact OD1-N 3.34Å; D137-L197 CarbonylContact O-C 3.58Å; D137-L197 WeakPolarHBondContact O-CA 3.44Å; D137-R198 HydrophobicContact CB-CB 4.24Å; D137-R198 PolarHBondContact N-O 3.18Å; D137-R198 PolarHBondContact O-N 3.02Å; D137-N199 PolarHBondContact OD2-ND2 2.76Å
138	F	96.7	Very high	84.7	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.4	172.5	73.6	-97	0	0	0	112.6	L95 L136 F140 F154 S155 K156 C159 F161 H168 L195 G196 L197	L95-F138 HydrophobicContact CD2-CB 4.03Å; L95-F138 HydrophobicContact CD2-CD1 4.11Å; L95-F138 HydrophobicContact CD2-CG 4.04Å; L136-F138 HydrophobicContact CD1-CB 3.79Å; L136-F138 HydrophobicContact CD1-CD1 3.92Å; L136-F138 HydrophobicContact CD1-CG 4.35Å; F138-F140 AromaticContact CD2-CD2 3.8Å; F138-F140 HydrophobicContact CD2-CD2 3.8Å; F138-F140 AromaticContact CD2-CE2 3.72Å; F138-F140 HydrophobicContact CD2-CE2 3.72Å; F138-F140 AromaticContact CE2-CD2 3.81Å; F138-F140 HydrophobicContact CE2-CD2 3.81Å; F138-F140 AromaticContact CE2-CE2 3.66Å; F138-F140 HydrophobicContact CE2-CE2 3.66Å; F138-F154 HydrophobicContact CE2-CD1 4.3Å; F138-F154 AromaticContact CE2-CE1 3.63Å; F138-F154 HydrophobicContact CE2-CE1 3.63Å; F138-F154 HydrophobicContact CE2-CZ 4.24Å; F138-F154 HydrophobicContact CZ-CE1 4.15Å; F138-F154 HydrophobicContact CZ-CZ 4.4Å; F138-S155 CarbonylContact O-C 3.58Å; F138-S155 VanDerWaalsContact O-CA 3.28Å; F138-S155 WeakPolarHBondContact O-CA 3.25Å; F138-K156 HydrophobicContact CD1-CB 4.28Å; F138-K156 HydrophobicContact CE1-CB 3.82Å; F138-K156 HydrophobicContact CE1-CD 4.15Å; F138-K156 HydrophobicContact CE2-CB 4.38Å; F138-K156 HydrophobicContact CZ-CB 3.89Å; F138-K156 HydrophobicContact CZ-CD 3.74Å; F138-K156 HydrophobicContact CZ-CG 4.19Å; F138-K156 PolarHBondContact N-O 2.93Å; F138-K156 PolarHBondContact O-N 3.11Å; F138-C159 HydrophobicContact CD1-CB 4.08Å; F138-C159 HydrophobicContact CE1-CB 3.87Å; F138-F161 HydrophobicContact CD1-CE2 4.43Å; F138-F161 HydrophobicContact CD1-CZ 4.3Å; F138-F161 HydrophobicContact CE1-CE2 4.49Å; F138-F161 HydrophobicContact CE1-CZ 4.13Å; F138-H168 HydrophobicContact CE1-CB 3.99Å; F138-H168 HydrophobicContact CZ-CB 4.11Å; F138-L195 HydrophobicContact CB-CD1 4.18Å; F138-G196 CarbonylContact C-O 3.57Å; F138-G196 VanDerWaalsContact CA-O 3.26Å; F138-G196 WeakPolarHBondContact CA-O 3.42Å; F138-L197 HydrophobicContact CB-CD2 3.48Å; F138-L197 VanDerWaalsContact CB-CD2 3.48Å
139	E	95.9	Very high	86.4	Confident	51 Å²	51	39.8 Å²	39.8	24%	0.238	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	121.4	178.7	-179.8	-179.4	-169.1	0	0	110	F154 L195 G196 R198	E139-F154 CarbonylContact C-O 3.53Å; E139-F154 WeakPolarHBondContact CA-O 3.4Å; E139-L195 CarbonylContact O-C 3.52Å; E139-L195 VanDerWaalsContact O-CA 3.31Å; E139-L195 WeakPolarHBondContact O-CA 3.34Å; E139-G196 PolarHBondContact N-O 3.15Å; E139-G196 PolarHBondContact O-N 3.28Å; E139-R198 IonicContact OE2-CZ 3.98Å; E139-R198 IonicContact OE2-NH2 3.99Å; E139-R198 PolarHBondContact OE2-NH2 3Å
140	F	95.9	Very high	87.8	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132	166.3	-73.8	-79.5	0	0	0	109.8	V82 F93 L95 F138 C153 F154 I193 E194 L195	V82-F140 HydrophobicContact CG1-CE1 3.66Å; V82-F140 HydrophobicContact CG1-CZ 3.9Å; V82-F140 HydrophobicContact CG2-CE1 3.96Å; V82-F140 HydrophobicContact CG2-CZ 4.07Å; F93-F140 HydrophobicContact CB-CD1 4.31Å; F93-F140 HydrophobicContact CB-CD2 4.16Å; F93-F140 HydrophobicContact CB-CE1 4.39Å; F93-F140 HydrophobicContact CB-CE2 4.24Å; F93-F140 HydrophobicContact CB-CG 4.18Å; F93-F140 HydrophobicContact CB-CZ 4.34Å; F93-F140 HydrophobicContact CD2-CB 4.09Å; F93-F140 HydrophobicContact CD2-CG 4.3Å; L95-F140 HydrophobicContact CB-CE2 4.27Å; L95-F140 HydrophobicContact CB-CZ 4.17Å; F138-F140 AromaticContact CD2-CD2 3.8Å; F138-F140 HydrophobicContact CD2-CD2 3.8Å; F138-F140 AromaticContact CD2-CE2 3.72Å; F138-F140 HydrophobicContact CD2-CE2 3.72Å; F138-F140 AromaticContact CE2-CD2 3.81Å; F138-F140 HydrophobicContact CE2-CD2 3.81Å; F138-F140 AromaticContact CE2-CE2 3.66Å; F138-F140 HydrophobicContact CE2-CE2 3.66Å; F140-C153 CarbonylContact O-C 3.54Å; F140-C153 VanDerWaalsContact O-CA 3.28Å; F140-C153 WeakPolarHBondContact O-CA 3.27Å; F140-F154 HydrophobicContact CB-CD1 4.44Å; F140-F154 AromaticContact CD2-CD1 3.92Å; F140-F154 HydrophobicContact CD2-CD1 3.92Å; F140-F154 HydrophobicContact CD2-CE1 4.3Å; F140-F154 PolarHBondContact N-O 3.31Å; F140-F154 PolarHBondContact O-N 3.1Å; F140-I193 HydrophobicContact CD1-CG2 4.12Å; F140-E194 CarbonylContact C-O 3.48Å; F140-E194 VanDerWaalsContact CA-O 3.3Å; F140-E194 WeakPolarHBondContact CA-O 3.09Å; F140-L195 HydrophobicContact CD1-CB 4.32Å; F140-L195 HydrophobicContact CD1-CD1 4.11Å; F140-L195 HydrophobicContact CD2-CD1 4.31Å; F140-L195 HydrophobicContact CE1-CB 4.16Å; F140-L195 HydrophobicContact CE1-CD1 3.81Å; F140-L195 HydrophobicContact CE1-CD2 4.48Å; F140-L195 HydrophobicContact CE1-CG 4.37Å; F140-L195 HydrophobicContact CE2-CD1 4.04Å; F140-L195 HydrophobicContact CG-CD1 4.37Å; F140-L195 HydrophobicContact CZ-CD1 3.78Å
141	T	92.9	Very high	88.9	Confident	13 Å²	13	39.5 Å²	39.5	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.6	175.1	-55.1	0	0	0	0	110.2	K143 N151 E152 C153 E194	T141-K143 HydrophobicContact CG2-CD 4.11Å; T141-N151 HydrophobicContact CG2-CB 3.96Å; T141-E152 WeakPolarHBondContact CA-O 3.13Å; T141-C153 VanDerWaalsContact CG2-SG 3.54Å; T141-C153 PolarHBondContact OG1-SG 2.98Å; T141-C153 VanDerWaalsContact OG1-SG 3.36Å; T141-E194 PolarHBondContact N-O 3.17Å; T141-E194 PolarHBondContact O-N 3.45Å
142	I	91.8	Very high	89.6	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.9	169.8	-46.4	175.1	0	0	0	108.1	F93 N151 E152 I174 L179 F184	F93-I142 HydrophobicContact CE2-CD1 3.64Å; F93-I142 HydrophobicContact CE2-CG1 3.78Å; F93-I142 HydrophobicContact CZ-CD1 3.44Å; F93-I142 VanDerWaalsContact CZ-CD1 3.44Å; F93-I142 HydrophobicContact CZ-CG1 3.78Å; I142-N151 WeakPolarHBondContact O-CA 3.27Å; I142-E152 HydrophobicContact CB-CB 4.5Å; I142-E152 HydrophobicContact CD1-CB 4.41Å; I142-E152 PolarHBondContact N-O 2.73Å; I142-E152 PolarHBondContact O-N 3.32Å; I142-I174 HydrophobicContact CD1-CB 3.85Å; I142-I174 HydrophobicContact CD1-CD1 3.74Å; I142-I174 HydrophobicContact CD1-CG1 4.4Å; I142-I174 HydrophobicContact CD1-CG2 3.54Å; I142-L179 HydrophobicContact CG2-CD1 4.41Å; I142-F184 HydrophobicContact CB-CD1 4.4Å; I142-F184 HydrophobicContact CB-CE1 4.44Å; I142-F184 HydrophobicContact CG2-CD1 3.68Å; I142-F184 HydrophobicContact CG2-CE1 4.2Å; I142-F184 HydrophobicContact CG2-CG 4.34Å
143	K	88.3	Confident	89.8	Confident	34 Å²	34	36.9 Å²	36.9	15%	0.148	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-82.5	125.2	-177.6	-66	-64.9	-174.8	-172	0	111.6	T141 N151 I192 E194	T141-K143 HydrophobicContact CG2-CD 4.11Å; K143-N151 WeakPolarHBondContact CA-OD1 3.2Å; K143-I192 HydrophobicContact CB-CB 4.2Å; K143-I192 HydrophobicContact CB-CG2 4.12Å; K143-I192 HydrophobicContact CG-CG2 3.93Å; K143-I192 PolarHBondContact N-O 3.03Å; K143-E194 WeakPolarHBondContact CE-OE1 3.38Å; K143-E194 WeakPolarHBondContact CE-OE2 3.42Å; K143-E194 HydrophobicContact CG-CG 4.48Å; K143-E194 IonicContact NZ-OE1 3.08Å; K143-E194 IonicContact NZ-OE2 3.2Å; K143-E194 PolarHBondContact NZ-OE2 3.24Å
144	N	88.4	Confident	89.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-75.9	140.2	167.1	-169	-78.9	0	0	0	110.6	N146 F147 Q150 N151 K182 F184 Q672	N144-N146 VanDerWaalsContact C-N 3.26Å; N144-N146 PolarHBondContact O-N 3.05Å; N144-N146 PolarHBondContact OD1-N 3.26Å; N144-F147 WeakPolarHBondContact CB-O 3.24Å; N144-F147 PolarHBondContact OD1-N 3.2Å; N144-Q150 HydrophobicContact CB-CB 3.97Å; N144-Q150 PolarHBondContact ND2-OE1 2.98Å; N144-N151 PolarHBondContact N-OD1 2.72Å; N144-K182 PolarHBondContact ND2-O 2.97Å; N144-F184 HydrophobicContact CB-CD1 4.18Å; N144-F184 HydrophobicContact CB-CE1 3.87Å; N144-Q672 PolarHBondContact O-NE2 2.89Å
145	R	83.9	Confident	89.8	Confident	61 Å²	61	39.7 Å²	39.7	23%	0.23	21%	0.21	C	C	.	.	S	Bend	trans	-64.8	-28.1	-179.2	-71	176.5	64.9	-172.6	4.2	113.8	R183 L185 F186 D187 I668 R671	R145-R183 WeakPolarHBondContact CB-O 3.03Å; R145-R183 WeakPolarHBondContact CG-O 2.9Å; R145-R183 PolarHBondContact N-O 2.81Å; R145-L185 WeakPolarHBondContact CD-O 3.44Å; R145-L185 PolarHBondContact NH1-O 2.65Å; R145-F186 HydrophobicContact CG-CD1 4.47Å; R145-F186 HydrophobicContact CG-CE1 4.35Å; R145-D187 IonicContact CZ-OD1 3.74Å; R145-D187 IonicContact NH1-OD1 3.45Å; R145-D187 PolarHBondContact NH1-OD1 3.44Å; R145-D187 IonicContact NH2-OD1 3.53Å; R145-D187 PolarHBondContact NH2-OD1 3.26Å; R145-D187 IonicContact NH2-OD2 2.69Å; R145-D187 PolarHBondContact NH2-OD2 3.45Å; R145-I668 HydrophobicContact CG-CD1 4.23Å; R145-R671 PolarHBondContact O-NH1 3.46Å
146	N	82.1	Confident	89.7	Confident	42 Å²	42	42 Å²	42	23%	0.225	22%	0.218	C	C	.	.	S	Bend	trans	-106.9	-50.8	-167.6	-62	-30.9	0	0	0	113.4	N144 R183 Q675	N144-N146 VanDerWaalsContact C-N 3.26Å; N144-N146 PolarHBondContact O-N 3.05Å; N144-N146 PolarHBondContact OD1-N 3.26Å; N146-R183 WeakPolarHBondContact ND2-CD 3.01Å; N146-R183 PolarHBondContact ND2-NH1 3.25Å; N146-Q675 PolarHBondContact O-NE2 3.27Å; N146-Q675 PolarHBondContact O-OE1 2.79Å
147	F	78.7	Confident	89.5	Confident	99 Å²	99	46.1 Å²	46.1	43%	0.434	25%	0.247	S	C	.	.			trans	-131.5	128.7	-169.4	-62.8	-73.4	0	0	0	111.5	N144 S149 Q150	N144-F147 WeakPolarHBondContact CB-O 3.24Å; N144-F147 PolarHBondContact OD1-N 3.2Å; F147-S149 PolarHBondContact O-N 3.44Å; F147-Q150 HydrophobicContact CB-CG 4.22Å; F147-Q150 PolarHBondContact O-N 2.95Å; F147-Q150 VanDerWaalsContact O-N 3.17Å
148	F	81.9	Confident	89.3	Confident	40 Å²	40	50.2 Å²	50.2	18%	0.175	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.4	-28.5	178	78.2	-89	0	0	0	112.9	Q150 N151 Q672 Q675 M676 E679	F148-Q150 PolarHBondContact O-N 2.89Å; F148-N151 VanDerWaalsContact O-CB 3.26Å; F148-N151 WeakPolarHBondContact O-CB 3.05Å; F148-N151 PolarHBondContact O-N 3.29Å; F148-N151 VanDerWaalsContact O-N 3.12Å; F148-N151 PolarHBondContact O-ND2 3.07Å; F148-N151 VanDerWaalsContact O-ND2 3.15Å; F148-Q672 HydrophobicContact CB-CB 3.89Å; F148-Q672 HydrophobicContact CB-CG 3.83Å; F148-Q675 HydrophobicContact CD1-CB 3.73Å; F148-Q675 HydrophobicContact CE1-CB 3.93Å; F148-M676 HydrophobicContact CB-CG 4.26Å; F148-M676 HydrophobicContact CD1-CG 3.6Å; F148-M676 HydrophobicContact CD2-CG 3.5Å; F148-M676 VanDerWaalsContact CD2-CG 3.5Å; F148-M676 HydrophobicContact CD2-SD 3.94Å; F148-M676 HydrophobicContact CE1-CB 4.44Å; F148-M676 HydrophobicContact CE1-CG 3.71Å; F148-M676 HydrophobicContact CE2-CG 3.62Å; F148-M676 HydrophobicContact CE2-SD 4.38Å; F148-M676 HydrophobicContact CG-CG 3.48Å; F148-M676 VanDerWaalsContact CG-CG 3.48Å; F148-M676 HydrophobicContact CG-SD 4.18Å; F148-M676 HydrophobicContact CZ-CG 3.71Å; F148-E679 HydrophobicContact CE1-CG 4.42Å; F148-E679 HydrophobicContact CZ-CG 4.42Å; F148-E679 WeakPolarHBondContact CZ-OE2 3.27Å
149	S	83.3	Confident	89.1	Confident	86 Å²	86	50.6 Å²	50.6	60%	0.601	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.5	178.6	55.5	0	0	0	0	113.9	F147	F147-S149 PolarHBondContact O-N 3.44Å
150	Q	85.3	Confident	89	Confident	82 Å²	82	51 Å²	51	38%	0.383	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-98.2	6.3	174.6	-63.4	-177.1	-2.6	0	0	112.3	N144 F147 F148 E152 F184	N144-Q150 HydrophobicContact CB-CB 3.97Å; N144-Q150 PolarHBondContact ND2-OE1 2.98Å; F147-Q150 HydrophobicContact CB-CG 4.22Å; F147-Q150 PolarHBondContact O-N 2.95Å; F147-Q150 VanDerWaalsContact O-N 3.17Å; F148-Q150 PolarHBondContact O-N 2.89Å; Q150-E152 PolarHBondContact O-N 3.01Å; Q150-F184 WeakPolarHBondContact O-CE1 3.08Å; Q150-F184 WeakPolarHBondContact O-CZ 3.16Å
151	N	88.3	Confident	88.9	Confident	29 Å²	29	51 Å²	51	16%	0.155	28%	0.278	C	S	.	.			trans	-64.5	134	172.7	-67.6	-19.9	0	0	0	109	T141 I142 K143 N144 F148 Q672	T141-N151 HydrophobicContact CG2-CB 3.96Å; I142-N151 WeakPolarHBondContact O-CA 3.27Å; K143-N151 WeakPolarHBondContact CA-OD1 3.2Å; N144-N151 PolarHBondContact N-OD1 2.72Å; F148-N151 VanDerWaalsContact O-CB 3.26Å; F148-N151 WeakPolarHBondContact O-CB 3.05Å; F148-N151 PolarHBondContact O-N 3.29Å; F148-N151 VanDerWaalsContact O-N 3.12Å; F148-N151 PolarHBondContact O-ND2 3.07Å; F148-N151 VanDerWaalsContact O-ND2 3.15Å; N151-Q672 PolarHBondContact ND2-OE1 3.12Å; N151-Q672 VanDerWaalsContact ND2-OE1 3.1Å; N151-Q672 PolarHBondContact OD1-NE2 3.47Å; N151-Q672 VanDerWaalsContact OD1-NE2 3.11Å
152	E	88.3	Confident	88.7	Confident	74 Å²	74	52.1 Å²	52.1	35%	0.346	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.3	174.8	-67.7	-72.1	173.1	0	0	108.1	T141 I142 Q150 I174 K182 F184	T141-E152 WeakPolarHBondContact CA-O 3.13Å; I142-E152 HydrophobicContact CB-CB 4.5Å; I142-E152 HydrophobicContact CD1-CB 4.41Å; I142-E152 PolarHBondContact N-O 2.73Å; I142-E152 PolarHBondContact O-N 3.32Å; Q150-E152 PolarHBondContact O-N 3.01Å; E152-I174 HydrophobicContact CG-CD1 4.1Å; E152-K182 IonicContact OE1-NZ 3.59Å; E152-F184 HydrophobicContact CG-CE1 4.35Å; E152-F184 HydrophobicContact CG-CE2 4.47Å; E152-F184 HydrophobicContact CG-CZ 3.72Å
153	C	91	Very high	88.3	Confident	66 Å²	66	55.8 Å²	55.8	45%	0.446	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.2	-178.5	-66.5	0	0	0	0	111.4	F140 T141	F140-C153 CarbonylContact O-C 3.54Å; F140-C153 VanDerWaalsContact O-CA 3.28Å; F140-C153 WeakPolarHBondContact O-CA 3.27Å; T141-C153 VanDerWaalsContact CG2-SG 3.54Å; T141-C153 PolarHBondContact OG1-SG 2.98Å; T141-C153 VanDerWaalsContact OG1-SG 3.36Å
154	F	91.3	Very high	88.1	Confident	24 Å²	24	63.4 Å²	63.4	11%	0.105	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112.9	169.9	163	-115.6	0	0	0	108.5	F138 E139 F140 K156 R170	F138-F154 HydrophobicContact CE2-CD1 4.3Å; F138-F154 AromaticContact CE2-CE1 3.63Å; F138-F154 HydrophobicContact CE2-CE1 3.63Å; F138-F154 HydrophobicContact CE2-CZ 4.24Å; F138-F154 HydrophobicContact CZ-CE1 4.15Å; F138-F154 HydrophobicContact CZ-CZ 4.4Å; E139-F154 CarbonylContact C-O 3.53Å; E139-F154 WeakPolarHBondContact CA-O 3.4Å; F140-F154 HydrophobicContact CB-CD1 4.44Å; F140-F154 AromaticContact CD2-CD1 3.92Å; F140-F154 HydrophobicContact CD2-CD1 3.92Å; F140-F154 HydrophobicContact CD2-CE1 4.3Å; F140-F154 PolarHBondContact N-O 3.31Å; F140-F154 PolarHBondContact O-N 3.1Å; F154-K156 HydrophobicContact CE2-CD 4.17Å; F154-K156 HydrophobicContact CE2-CG 3.91Å; F154-K156 HydrophobicContact CZ-CD 3.64Å; F154-K156 HydrophobicContact CZ-CG 3.77Å; F154-R170 HydrophobicContact CD1-CB 4Å; F154-R170 HydrophobicContact CD2-CB 4.13Å; F154-R170 HydrophobicContact CE1-CB 3.71Å; F154-R170 HydrophobicContact CE2-CB 3.87Å; F154-R170 HydrophobicContact CG-CB 4.2Å; F154-R170 HydrophobicContact CZ-CB 3.64Å
155	S	93.2	Very high	88.1	Confident	76 Å²	76	65.8 Å²	65.8	53%	0.531	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.2	178.9	58	0	0	0	0	111.6	F138	F138-S155 CarbonylContact O-C 3.58Å; F138-S155 VanDerWaalsContact O-CA 3.28Å; F138-S155 WeakPolarHBondContact O-CA 3.25Å
156	K	93	Very high	88.3	Confident	74 Å²	74	64.5 Å²	64.5	32%	0.322	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.8	166.5	-78.8	-178.7	167.7	172.7	0	108.6	D137 F138 F154 C159 G169	D137-K156 WeakPolarHBondContact CA-O 3.28Å; F138-K156 HydrophobicContact CD1-CB 4.28Å; F138-K156 HydrophobicContact CE1-CB 3.82Å; F138-K156 HydrophobicContact CE1-CD 4.15Å; F138-K156 HydrophobicContact CE2-CB 4.38Å; F138-K156 HydrophobicContact CZ-CB 3.89Å; F138-K156 HydrophobicContact CZ-CD 3.74Å; F138-K156 HydrophobicContact CZ-CG 4.19Å; F138-K156 PolarHBondContact N-O 2.93Å; F138-K156 PolarHBondContact O-N 3.11Å; F154-K156 HydrophobicContact CE2-CD 4.17Å; F154-K156 HydrophobicContact CE2-CG 3.91Å; F154-K156 HydrophobicContact CZ-CD 3.64Å; F154-K156 HydrophobicContact CZ-CG 3.77Å; K156-C159 HydrophobicContact CB-CB 4.42Å; K156-G169 PolarHBondContact NZ-O 3.34Å
157	S	93.2	Very high	88.8	Confident	87 Å²	87	67.1 Å²	67.1	61%	0.608	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	152.3	177.3	-62.5	0	0	0	0	111.3	D137 C159	D137-S157 WeakPolarHBondContact OD1-CA 3.09Å; D137-S157 VanDerWaalsContact OD1-CB 3.27Å; D137-S157 WeakPolarHBondContact OD1-CB 3.04Å; S157-C159 PolarHBondContact O-N 3.2Å
158	N	92.2	Very high	89.5	Confident	111 Å²	111	64.1 Å²	64.1	59%	0.594	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48	42.5	-178.6	-67.2	-21.2	0	0	0	112.4	D137 T160	D137-N158 PolarHBondContact OD1-N 3.34Å; N158-T160 PolarHBondContact O-N 2.78Å
159	C	92.9	Very high	90.1	Very high	10 Å²	10	62.9 Å²	62.9	7%	0.068	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.8	-176.9	-170.3	0	0	0	0	110.1	T135 L136 F138 K156 S157 F161 H168	T135-C159 WeakPolarHBondContact CA-O 3.32Å; L136-C159 PolarHBondContact N-O 3.23Å; L136-C159 VanDerWaalsContact N-O 3.07Å; L136-C159 WeakPolarHBondContact O-CB 3.3Å; L136-C159 PolarHBondContact O-N 3.34Å; F138-C159 HydrophobicContact CD1-CB 4.08Å; F138-C159 HydrophobicContact CE1-CB 3.87Å; K156-C159 HydrophobicContact CB-CB 4.42Å; S157-C159 PolarHBondContact O-N 3.2Å; C159-F161 HydrophobicContact CB-CE2 4.17Å; C159-F161 WeakPolarHBondContact O-CD2 3.49Å; C159-H168 PolarHBondContact SG-ND1 3.48Å
160	T	93.4	Very high	90.5	Very high	60 Å²	60	64.7 Å²	64.7	37%	0.368	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.4	-175.5	-51.2	0	0	0	0	112	T133 T135 N158 T162 H168	T133-T160 HydrophobicContact CG2-CG2 3.18Å; T135-T160 HydrophobicContact CG2-CG2 3.92Å; T135-T160 WeakPolarHBondContact CG2-OG1 3.44Å; N158-T160 PolarHBondContact O-N 2.78Å; T160-T162 HydrophobicContact CG2-CG2 4.16Å; T160-H168 PolarHBondContact O-NE2 3.31Å
161	F	93.3	Very high	90.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.2	172.8	-65.2	-99.8	0	0	0	110.1	W80 L95 L97 T133 I134 L136 F138 C159 S165 C166 H168	W80-F161 HydrophobicContact CH2-CB 4.21Å; W80-F161 HydrophobicContact CH2-CD1 4.11Å; W80-F161 AromaticContact CH2-CD2 3.89Å; W80-F161 HydrophobicContact CH2-CD2 3.89Å; W80-F161 HydrophobicContact CH2-CE1 4.49Å; W80-F161 HydrophobicContact CH2-CE2 4.31Å; W80-F161 AromaticContact CH2-CG 3.8Å; W80-F161 HydrophobicContact CH2-CG 3.8Å; W80-F161 HydrophobicContact CZ3-CB 4.5Å; W80-F161 AromaticContact CZ3-CD1 3.6Å; W80-F161 HydrophobicContact CZ3-CD1 3.6Å; W80-F161 HydrophobicContact CZ3-CD2 4.05Å; W80-F161 AromaticContact CZ3-CE1 3.71Å; W80-F161 HydrophobicContact CZ3-CE1 3.71Å; W80-F161 HydrophobicContact CZ3-CE2 4.17Å; W80-F161 AromaticContact CZ3-CG 3.79Å; W80-F161 HydrophobicContact CZ3-CG 3.79Å; W80-F161 HydrophobicContact CZ3-CZ 4.01Å; L95-F161 HydrophobicContact CB-CZ 4.35Å; L95-F161 HydrophobicContact CD2-CE1 4.5Å; L95-F161 HydrophobicContact CD2-CE2 4.47Å; L95-F161 HydrophobicContact CD2-CZ 3.83Å; L95-F161 HydrophobicContact CG-CE1 4.3Å; L95-F161 HydrophobicContact CG-CZ 4.09Å; L97-F161 HydrophobicContact CB-CB 4.43Å; L97-F161 HydrophobicContact CB-CD1 4.18Å; L97-F161 HydrophobicContact CD2-CB 4.05Å; T133-F161 WeakPolarHBondContact CA-O 3.47Å; I134-F161 HydrophobicContact CB-CB 4.43Å; I134-F161 PolarHBondContact N-O 3.16Å; I134-F161 PolarHBondContact O-N 2.96Å; L136-F161 HydrophobicContact CD1-CE2 3.93Å; L136-F161 HydrophobicContact CD2-CE2 4.39Å; L136-F161 HydrophobicContact CG-CD2 4.31Å; L136-F161 HydrophobicContact CG-CE2 3.98Å; F138-F161 HydrophobicContact CD1-CE2 4.43Å; F138-F161 HydrophobicContact CD1-CZ 4.3Å; F138-F161 HydrophobicContact CE1-CE2 4.49Å; F138-F161 HydrophobicContact CE1-CZ 4.13Å; C159-F161 HydrophobicContact CB-CE2 4.17Å; C159-F161 WeakPolarHBondContact O-CD2 3.49Å; F161-S165 WeakPolarHBondContact CA-O 3.35Å; F161-C166 WeakPolarHBondContact CD1-O 3.47Å; F161-H168 AromaticContact CD1-CD2 3.53Å; F161-H168 HydrophobicContact CE1-CB 3.89Å; F161-H168 AromaticContact CE1-CD2 3.43Å; F161-H168 VanDerWaalsContact CE1-CD2 3.43Å; F161-H168 WeakPolarHBondContact CE1-CD2 3.24Å; F161-H168 HydrophobicContact CZ-CB 3.79Å; F161-H168 AromaticContact CZ-CD2 3.8Å
162	T	89	Confident	90.6	Very high	37 Å²	37	68.9 Å²	68.9	23%	0.227	36%	0.36	C	S	.	.			trans	-130.9	174.6	174.9	67.2	0	0	0	0	109.9	T133 T160 E164 S165 C166	T133-T162 HydrophobicContact CG2-CG2 4.39Å; T160-T162 HydrophobicContact CG2-CG2 4.16Å; T162-E164 VanDerWaalsContact C-N 3.25Å; T162-E164 PolarHBondContact O-N 3.47Å; T162-E164 PolarHBondContact OG1-N 3.26Å; T162-S165 PolarHBondContact N-O 2.95Å; T162-S165 CarbonylContact O-C 3.44Å; T162-S165 PolarHBondContact O-N 2.96Å; T162-S165 PolarHBondContact OG1-N 2.8Å; T162-C166 VanDerWaalsContact O-CA 3.25Å; T162-C166 WeakPolarHBondContact O-CA 3.45Å; T162-C166 WeakPolarHBondContact O-CB 3.44Å; T162-C166 PolarHBondContact O-N 3.42Å
163	Q	83.1	Confident	90.6	Very high	79 Å²	79	66.1 Å²	66.1	37%	0.369	35%	0.35	S	S	.	.	S	Bend	trans	-61.8	-35.4	175	-169.8	173.5	7.3	0	0	112.5
164	E	83.5	Confident	90.5	Very high	194 Å²	194	63.4 Å²	63.4	91%	0.907	33%	0.33	S	S	*	.	S	Bend	trans	-80.3	-32.7	177.8	-62	177.5	176.8	0	0	112.1	T162	T162-E164 VanDerWaalsContact C-N 3.25Å; T162-E164 PolarHBondContact O-N 3.47Å; T162-E164 PolarHBondContact OG1-N 3.26Å
165	S	88.5	Confident	90.5	Very high	51 Å²	51	65.4 Å²	65.4	36%	0.357	34%	0.343	S	S	.	.	S	Bend	trans	-121.6	65.3	-179.9	-167	0	0	0	0	110.3	F161 T162 H168	F161-S165 WeakPolarHBondContact CA-O 3.35Å; T162-S165 PolarHBondContact N-O 2.95Å; T162-S165 CarbonylContact O-C 3.44Å; T162-S165 PolarHBondContact O-N 2.96Å; T162-S165 PolarHBondContact OG1-N 2.8Å; S165-H168 PolarHBondContact O-NE2 3.08Å; S165-H168 PolarHBondContact OG-CE1 2.97Å; S165-H168 PolarHBondContact OG-NE2 3.34Å
166	C	89.7	Confident	90.1	Very high	33 Å²	33	63 Å²	63	22%	0.223	32%	0.324	C	S	.	.			trans	-85.8	-8.3	-177.6	57.4	0	0	0	0	113.4	E96 L97 T99 F161 T162	E96-C166 WeakPolarHBondContact CA-O 3.33Å; L97-C166 HydrophobicContact CB-CB 4.31Å; L97-C166 PolarHBondContact N-O 3.45Å; T99-C166 HydrophobicContact CG2-CB 4.31Å; F161-C166 WeakPolarHBondContact CD1-O 3.47Å; T162-C166 VanDerWaalsContact O-CA 3.25Å; T162-C166 WeakPolarHBondContact O-CA 3.45Å; T162-C166 WeakPolarHBondContact O-CB 3.44Å; T162-C166 PolarHBondContact O-N 3.42Å
167	R	92	Very high	89.8	Confident	98 Å²	98	63.1 Å²	63.1	37%	0.37	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.8	-175.5	178.7	-174.7	-64.2	-152.6	-7.7	110.5	E85 Y94 E96	E85-R167 IonicContact OE1-NH1 3.93Å; E85-R167 PolarHBondContact OE1-NH1 3.49Å; Y94-R167 HydrophobicContact CD1-CG 3.88Å; Y94-R167 HydrophobicContact CG-CG 4.25Å; E96-R167 VanDerWaalsContact CD-CZ 3.48Å; E96-R167 VanDerWaalsContact CD-NH2 3.25Å; E96-R167 HydrophobicContact CG-CB 3.8Å; E96-R167 HydrophobicContact CG-CG 3.65Å; E96-R167 IonicContact OE1-CZ 2.66Å; E96-R167 IonicContact OE1-NE 3.96Å; E96-R167 PolarHBondContact OE1-NE 3.09Å; E96-R167 IonicContact OE1-NH1 3.55Å; E96-R167 IonicContact OE1-NH2 3.17Å; E96-R167 PolarHBondContact OE1-NH2 2.66Å; E96-R167 IonicContact OE2-CZ 2.7Å; E96-R167 IonicContact OE2-NE 2.81Å; E96-R167 PolarHBondContact OE2-NE 3.46Å; E96-R167 IonicContact OE2-NH2 3.71Å; E96-R167 PolarHBondContact OE2-NH2 3.21Å
168	H	94	Very high	89.5	Confident	36 Å²	36	60.2 Å²	60.2	17%	0.167	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.3	173.6	-70.9	-92.9	0	0	0	110.8	Y94 L95 F138 C159 T160 F161 S165	Y94-H168 WeakPolarHBondContact CA-O 3.37Å; L95-H168 PolarHBondContact N-O 3.21Å; L95-H168 PolarHBondContact O-N 3.33Å; F138-H168 HydrophobicContact CE1-CB 3.99Å; F138-H168 HydrophobicContact CZ-CB 4.11Å; C159-H168 PolarHBondContact SG-ND1 3.48Å; T160-H168 PolarHBondContact O-NE2 3.31Å; F161-H168 AromaticContact CD1-CD2 3.53Å; F161-H168 HydrophobicContact CE1-CB 3.89Å; F161-H168 AromaticContact CE1-CD2 3.43Å; F161-H168 VanDerWaalsContact CE1-CD2 3.43Å; F161-H168 WeakPolarHBondContact CE1-CD2 3.24Å; F161-H168 HydrophobicContact CZ-CB 3.79Å; F161-H168 AromaticContact CZ-CD2 3.8Å; S165-H168 PolarHBondContact O-NE2 3.08Å; S165-H168 PolarHBondContact OG-CE1 2.97Å; S165-H168 PolarHBondContact OG-NE2 3.34Å
169	G	92.8	Very high	89.3	Confident	14 Å²	14	55.1 Å²	55.1	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-162.8	-174.2	0	0	0	0	0	113.9	F93 K156	F93-G169 CarbonylContact O-C 3.58Å; F93-G169 WeakPolarHBondContact O-CA 3.46Å; K156-G169 PolarHBondContact NZ-O 3.34Å
170	R	91.9	Very high	88.9	Confident	123 Å²	123	58.1 Å²	58.1	46%	0.464	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	120.4	174.1	-178	173.2	174.7	167.6	1.2	109	G92 F93 F154 N172 A173	G92-R170 CarbonylContact C-O 3.55Å; G92-R170 WeakPolarHBondContact CA-O 3.4Å; F93-R170 PolarHBondContact N-O 3.38Å; F93-R170 PolarHBondContact O-N 3.28Å; F154-R170 HydrophobicContact CD1-CB 4Å; F154-R170 HydrophobicContact CD2-CB 4.13Å; F154-R170 HydrophobicContact CE1-CB 3.71Å; F154-R170 HydrophobicContact CE2-CB 3.87Å; F154-R170 HydrophobicContact CG-CB 4.2Å; F154-R170 HydrophobicContact CZ-CB 3.64Å; R170-N172 PolarHBondContact NE-O 2.83Å; R170-N172 PolarHBondContact NH2-O 3.44Å; R170-A173 HydrophobicContact CB-CB 4.42Å; R170-A173 HydrophobicContact CG-CB 4.36Å
171	K	89	Confident	88.4	Confident	126 Å²	126	59.3 Å²	59.3	55%	0.548	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	-42.4	179	-169.9	178.6	178.2	178.3	0	112.7	L91 G92 Y94	L91-K171 CarbonylContact C-O 3.6Å; G92-K171 WeakPolarHBondContact CA-O 3.3Å; G92-K171 PolarHBondContact N-O 3.36Å; Y94-K171 VanDerWaalsContact OH-CA 3.23Å; Y94-K171 WeakPolarHBondContact OH-CA 3.36Å; Y94-K171 VanDerWaalsContact OH-CB 3.23Å; Y94-K171 WeakPolarHBondContact OH-CB 3.44Å; Y94-K171 WeakPolarHBondContact OH-CG 3.41Å
172	N	88.4	Confident	87.9	Confident	74 Å²	74	63.6 Å²	63.6	40%	0.396	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	67.9	-177.2	-59.4	2.4	0	0	0	108.6	H90 R170	H90-N172 HydrophobicContact CB-CB 4.29Å; R170-N172 PolarHBondContact NE-O 2.83Å; R170-N172 PolarHBondContact NH2-O 3.44Å
173	A	87.7	Confident	87.7	Confident	16 Å²	16	69.7 Å²	69.7	13%	0.132	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-41.6	-176.4	0	0	0	0	0	111.7	L91 F93 R170	L91-A173 WeakPolarHBondContact O-CA 3.49Å; L91-A173 VanDerWaalsContact O-CB 3.3Å; L91-A173 WeakPolarHBondContact O-CB 3.33Å; L91-A173 PolarHBondContact O-N 2.99Å; F93-A173 HydrophobicContact CD2-CB 3.36Å; F93-A173 HydrophobicContact CE2-CB 3.42Å; F93-A173 VanDerWaalsContact CE2-CB 3.42Å; F93-A173 HydrophobicContact CG-CB 4.01Å; F93-A173 HydrophobicContact CZ-CB 4.12Å; R170-A173 HydrophobicContact CB-CB 4.42Å; R170-A173 HydrophobicContact CG-CB 4.36Å
174	I	88.8	Confident	87.9	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	144.4	174.4	-171.9	168	0	0	0	111.1	H90 L91 F93 I142 E152 T178 L179 F184	H90-I174 WeakPolarHBondContact CA-O 3.27Å; L91-I174 HydrophobicContact CB-CG2 3.86Å; L91-I174 HydrophobicContact CD2-CG2 4.27Å; L91-I174 PolarHBondContact N-O 3.48Å; L91-I174 PolarHBondContact O-N 3.08Å; F93-I174 HydrophobicContact CZ-CG2 4.29Å; I142-I174 HydrophobicContact CD1-CB 3.85Å; I142-I174 HydrophobicContact CD1-CD1 3.74Å; I142-I174 HydrophobicContact CD1-CG1 4.4Å; I142-I174 HydrophobicContact CD1-CG2 3.54Å; E152-I174 HydrophobicContact CG-CD1 4.1Å; I174-T178 HydrophobicContact CD1-CG2 4.21Å; I174-T178 HydrophobicContact CG1-CG2 4.21Å; I174-L179 HydrophobicContact CD1-CB 4.38Å; I174-L179 HydrophobicContact CD1-CD1 3.94Å; I174-F184 HydrophobicContact CD1-CD2 4.17Å; I174-F184 HydrophobicContact CD1-CE2 3.96Å; I174-F184 HydrophobicContact CD1-CZ 4.33Å
175	D	90.1	Very high	88	Confident	67 Å²	67	58.8 Å²	58.8	36%	0.358	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.8	172.9	-56.7	-8.3	0	0	0	110.5	H90 S177 T178 L179	H90-D175 IonicContact CD2-OD1 3.81Å; H90-D175 PolarHBondContact CD2-OD1 3.48Å; H90-D175 IonicContact CG-OD1 2.72Å; H90-D175 IonicContact NE2-OD1 2.82Å; H90-D175 PolarHBondContact NE2-OD1 2.89Å; H90-D175 VanDerWaalsContact NE2-OD1 3.08Å; D175-S177 PolarHBondContact O-N 2.85Å; D175-T178 WeakPolarHBondContact O-CA 3.37Å; D175-T178 WeakPolarHBondContact O-CB 3.32Å; D175-T178 PolarHBondContact O-N 3.46Å; D175-L179 PolarHBondContact O-N 3.38Å
176	L	86.4	Confident	87.7	Confident	26 Å²	26	57.4 Å²	57.4	14%	0.136	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-30.4	178.4	-66.1	173.2	0	0	0	112.5	R86 T89 L91 L179 S180	R86-L176 HydrophobicContact CG-CD1 4.23Å; T89-L176 PolarHBondContact O-N 3.29Å; L91-L176 HydrophobicContact CB-CD2 4.23Å; L176-L179 PolarHBondContact O-N 3.32Å; L176-S180 PolarHBondContact O-N 3.37Å; L176-S180 PolarHBondContact O-OG 2.81Å
177	S	86.5	Confident	87.3	Confident	76 Å²	76	62.8 Å²	62.8	53%	0.531	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-39.5	171.9	57.2	0	0	0	0	111.8	D175 S180 S181	D175-S177 PolarHBondContact O-N 2.85Å; S177-S180 PolarHBondContact O-OG 3.4Å; S177-S181 VanDerWaalsContact O-CB 3.27Å; S177-S181 WeakPolarHBondContact O-CB 3.44Å; S177-S181 PolarHBondContact O-N 3.02Å; S177-S181 PolarHBondContact O-OG 3.24Å
178	T	87.2	Confident	86.7	Confident	25 Å²	25	61.3 Å²	61.3	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-68.6	-41.6	176.1	-67.3	0	0	0	0	111.1	I174 D175 S180 S181 K182 F184	I174-T178 HydrophobicContact CD1-CG2 4.21Å; I174-T178 HydrophobicContact CG1-CG2 4.21Å; D175-T178 WeakPolarHBondContact O-CA 3.37Å; D175-T178 WeakPolarHBondContact O-CB 3.32Å; D175-T178 PolarHBondContact O-N 3.46Å; T178-S180 VanDerWaalsContact C-N 3.32Å; T178-S180 PolarHBondContact O-N 2.82Å; T178-S181 WeakPolarHBondContact CA-OG 3.3Å; T178-S181 PolarHBondContact O-N 3.38Å; T178-S181 PolarHBondContact O-OG 2.8Å; T178-K182 HydrophobicContact CG2-CD 3.61Å; T178-K182 HydrophobicContact CG2-CG 4.03Å; T178-K182 WeakPolarHBondContact O-CB 3.26Å; T178-K182 PolarHBondContact O-N 2.81Å; T178-F184 HydrophobicContact CG2-CE2 4.26Å
179	L	86.5	Confident	86.1	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-43.9	179	-167.4	75.8	0	0	0	112	L61 I142 I174 D175 L176 F184 L185	L61-L179 HydrophobicContact CD1-CD2 4.18Å; L61-L179 HydrophobicContact CD2-CD2 3.54Å; L61-L179 HydrophobicContact CG-CD2 4.35Å; I142-L179 HydrophobicContact CG2-CD1 4.41Å; I174-L179 HydrophobicContact CD1-CB 4.38Å; I174-L179 HydrophobicContact CD1-CD1 3.94Å; D175-L179 PolarHBondContact O-N 3.38Å; L176-L179 PolarHBondContact O-N 3.32Å; L179-F184 HydrophobicContact CD1-CB 3.59Å; L179-F184 HydrophobicContact CD1-CD2 4.36Å; L179-F184 HydrophobicContact CD1-CG 4.07Å; L179-F184 HydrophobicContact CG-CB 4.23Å; L179-F184 PolarHBondContact O-N 3.49Å; L179-L185 HydrophobicContact CD2-CD2 3.74Å; L179-L185 HydrophobicContact CG-CD2 3.78Å; L179-L185 HydrophobicContact CG-CG 4.2Å
180	S	84.7	Confident	85.7	Confident	74 Å²	74	61.6 Å²	61.6	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-75.3	-43.9	178.9	51.2	0	0	0	0	113.1	L176 S177 T178	L176-S180 PolarHBondContact O-N 3.37Å; L176-S180 PolarHBondContact O-OG 2.81Å; S177-S180 PolarHBondContact O-OG 3.4Å; T178-S180 VanDerWaalsContact C-N 3.32Å; T178-S180 PolarHBondContact O-N 2.82Å
181	S	83.1	Confident	85.4	Confident	85 Å²	85	55.7 Å²	55.7	59%	0.594	30%	0.298	S	S	*	.	H	α-helix	trans	-74.2	-37.9	-175.5	58.5	0	0	0	0	114.1	S177 T178 R183	S177-S181 VanDerWaalsContact O-CB 3.27Å; S177-S181 WeakPolarHBondContact O-CB 3.44Å; S177-S181 PolarHBondContact O-N 3.02Å; S177-S181 PolarHBondContact O-OG 3.24Å; T178-S181 WeakPolarHBondContact CA-OG 3.3Å; T178-S181 PolarHBondContact O-N 3.38Å; T178-S181 PolarHBondContact O-OG 2.8Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.44Å
182	K	84.1	Confident	85.4	Confident	90 Å²	90	50 Å²	50	39%	0.391	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	15.4	-173.8	-64.5	-167.7	-170.9	167.7	0	114.5	N144 E152 T178 F184	N144-K182 PolarHBondContact ND2-O 2.97Å; E152-K182 IonicContact OE1-NZ 3.59Å; T178-K182 HydrophobicContact CG2-CD 3.61Å; T178-K182 HydrophobicContact CG2-CG 4.03Å; T178-K182 WeakPolarHBondContact O-CB 3.26Å; T178-K182 PolarHBondContact O-N 2.81Å; K182-F184 HydrophobicContact CB-CD2 3.86Å; K182-F184 HydrophobicContact CB-CE2 3.56Å; K182-F184 HydrophobicContact CD-CE2 4.2Å; K182-F184 HydrophobicContact CG-CE2 4.45Å; K182-F184 PolarHBondContact O-N 2.99Å
183	R	84.8	Confident	85.6	Confident	164 Å²	164	46.4 Å²	46.4	62%	0.619	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	40.3	176.5	-56	177.4	174.6	166.8	0	114.5	R145 N146 S181	R145-R183 WeakPolarHBondContact CB-O 3.03Å; R145-R183 WeakPolarHBondContact CG-O 2.9Å; R145-R183 PolarHBondContact N-O 2.81Å; N146-R183 WeakPolarHBondContact ND2-CD 3.01Å; N146-R183 PolarHBondContact ND2-NH1 3.25Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.44Å
184	F	86.2	Confident	85.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.			trans	-76.8	-27.9	165.6	-68	-80.3	0	0	0	112.2	I142 N144 Q150 E152 I174 T178 L179 K182	I142-F184 HydrophobicContact CB-CD1 4.4Å; I142-F184 HydrophobicContact CB-CE1 4.44Å; I142-F184 HydrophobicContact CG2-CD1 3.68Å; I142-F184 HydrophobicContact CG2-CE1 4.2Å; I142-F184 HydrophobicContact CG2-CG 4.34Å; N144-F184 HydrophobicContact CB-CD1 4.18Å; N144-F184 HydrophobicContact CB-CE1 3.87Å; Q150-F184 WeakPolarHBondContact O-CE1 3.08Å; Q150-F184 WeakPolarHBondContact O-CZ 3.16Å; E152-F184 HydrophobicContact CG-CE1 4.35Å; E152-F184 HydrophobicContact CG-CE2 4.47Å; E152-F184 HydrophobicContact CG-CZ 3.72Å; I174-F184 HydrophobicContact CD1-CD2 4.17Å; I174-F184 HydrophobicContact CD1-CE2 3.96Å; I174-F184 HydrophobicContact CD1-CZ 4.33Å; T178-F184 HydrophobicContact CG2-CE2 4.26Å; L179-F184 HydrophobicContact CD1-CB 3.59Å; L179-F184 HydrophobicContact CD1-CD2 4.36Å; L179-F184 HydrophobicContact CD1-CG 4.07Å; L179-F184 HydrophobicContact CG-CB 4.23Å; L179-F184 PolarHBondContact O-N 3.49Å; K182-F184 HydrophobicContact CB-CD2 3.86Å; K182-F184 HydrophobicContact CB-CE2 3.56Å; K182-F184 HydrophobicContact CD-CE2 4.2Å; K182-F184 HydrophobicContact CG-CE2 4.45Å; K182-F184 PolarHBondContact O-N 2.99Å
185	L	85.7	Confident	86.2	Confident	44 Å²	44	46.6 Å²	46.6	23%	0.23	25%	0.252	C	S	.	.	S	Bend	trans	-81.3	136.3	-179	-56	-179.4	0	0	0	111.8	L61 R145 L179 K190 C191	L61-L185 HydrophobicContact CD1-CD2 3.63Å; R145-L185 WeakPolarHBondContact CD-O 3.44Å; R145-L185 PolarHBondContact NH1-O 2.65Å; L179-L185 HydrophobicContact CD2-CD2 3.74Å; L179-L185 HydrophobicContact CG-CD2 3.78Å; L179-L185 HydrophobicContact CG-CG 4.2Å; L185-K190 CarbonylContact C-O 3.59Å; L185-K190 WeakPolarHBondContact CA-O 3.35Å; L185-C191 HydrophobicContact CD2-CB 4.12Å
186	F	83	Confident	86.4	Confident	22 Å²	22	43.8 Å²	43.8	10%	0.096	24%	0.239	C	C	.	.			trans	-70.4	169.2	163	-72.3	-75.8	0	0	0	111.3	L55 R145 D188 G189 K190 I192 Q664 I668	L55-F186 HydrophobicContact CD1-CE2 4.41Å; R145-F186 HydrophobicContact CG-CD1 4.47Å; R145-F186 HydrophobicContact CG-CE1 4.35Å; F186-D188 WeakPolarHBondContact CB-OD1 3.49Å; F186-D188 PolarHBondContact O-N 3.3Å; F186-G189 WeakPolarHBondContact O-CA 3.15Å; F186-G189 PolarHBondContact O-N 3.13Å; F186-K190 HydrophobicContact CD2-CB 4.22Å; F186-K190 VanDerWaalsContact CD2-O 3.32Å; F186-K190 WeakPolarHBondContact CD2-O 3.39Å; F186-K190 PolarHBondContact N-O 3.39Å; F186-I192 HydrophobicContact CE2-CD1 3.47Å; F186-I192 VanDerWaalsContact CE2-CD1 3.47Å; F186-I192 HydrophobicContact CE2-CG1 3.78Å; F186-I192 HydrophobicContact CZ-CD1 3.42Å; F186-I192 VanDerWaalsContact CZ-CD1 3.42Å; F186-I192 HydrophobicContact CZ-CG1 4.25Å; F186-Q664 HydrophobicContact CE1-CB 4.23Å; F186-Q664 HydrophobicContact CZ-CB 4.27Å; F186-I668 HydrophobicContact CE1-CD1 3.66Å; F186-I668 HydrophobicContact CE2-CD1 4.42Å; F186-I668 HydrophobicContact CZ-CD1 3.35Å
187	D	79.6	Confident	86.9	Confident	146 Å²	146	42.5 Å²	42.5	78%	0.781	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.4	-178.3	-49.2	-27.5	0	0	0	111.5	R145 G189	R145-D187 IonicContact CZ-OD1 3.74Å; R145-D187 IonicContact NH1-OD1 3.45Å; R145-D187 PolarHBondContact NH1-OD1 3.44Å; R145-D187 IonicContact NH2-OD1 3.53Å; R145-D187 PolarHBondContact NH2-OD1 3.26Å; R145-D187 IonicContact NH2-OD2 2.69Å; R145-D187 PolarHBondContact NH2-OD2 3.45Å; D187-G189 VanDerWaalsContact C-N 3.33Å
188	D	79.9	Confident	87.3	Confident	67 Å²	67	43.9 Å²	43.9	36%	0.358	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	6.7	171	69.3	-7	0	0	0	113.7	F186 K190	F186-D188 WeakPolarHBondContact CB-OD1 3.49Å; F186-D188 PolarHBondContact O-N 3.3Å; D188-K190 VanDerWaalsContact C-N 3.33Å; D188-K190 PolarHBondContact O-N 3.23Å; D188-K190 WeakPolarHBondContact OD1-CB 3.13Å; D188-K190 WeakPolarHBondContact OD1-CG 3.26Å; D188-K190 PolarHBondContact OD1-N 3.15Å; D188-K190 VanDerWaalsContact OD1-N 3.16Å; D188-K190 WeakPolarHBondContact OD2-CD 3.32Å; D188-K190 WeakPolarHBondContact OD2-CE 3.37Å; D188-K190 IonicContact OD2-NZ 3.13Å; D188-K190 PolarHBondContact OD2-NZ 3.4Å
189	G	81.9	Confident	87.6	Confident	18 Å²	18	46 Å²	46	19%	0.186	24%	0.236	C	C	.	.	S	Bend	trans	78.4	7.7	178.5	0	0	0	0	0	115.2	L61 F186 D187	L61-G189 WeakPolarHBondContact CD1-O 3.48Å; F186-G189 WeakPolarHBondContact O-CA 3.15Å; F186-G189 PolarHBondContact O-N 3.13Å; D187-G189 VanDerWaalsContact C-N 3.33Å
190	K	84.3	Confident	88	Confident	38 Å²	38	47.5 Å²	47.5	17%	0.165	25%	0.246	C	C	.	.			trans	-82.2	161.7	176.3	-63.4	177.9	-166.1	144.1	0	112	L55 L56 L57 L185 F186 D188	L55-K190 HydrophobicContact CD1-CB 3.97Å; L55-K190 HydrophobicContact CD1-CD 4.33Å; L55-K190 HydrophobicContact CD2-CD 3.61Å; L55-K190 HydrophobicContact CG-CB 4.24Å; L55-K190 HydrophobicContact CG-CD 3.93Å; L56-K190 WeakPolarHBondContact O-CA 3.41Å; L56-K190 WeakPolarHBondContact O-CB 3.25Å; L57-K190 HydrophobicContact CD2-CD 4.25Å; L185-K190 CarbonylContact C-O 3.59Å; L185-K190 WeakPolarHBondContact CA-O 3.35Å; F186-K190 HydrophobicContact CD2-CB 4.22Å; F186-K190 VanDerWaalsContact CD2-O 3.32Å; F186-K190 WeakPolarHBondContact CD2-O 3.39Å; F186-K190 PolarHBondContact N-O 3.39Å; D188-K190 VanDerWaalsContact C-N 3.33Å; D188-K190 PolarHBondContact O-N 3.23Å; D188-K190 WeakPolarHBondContact OD1-CB 3.13Å; D188-K190 WeakPolarHBondContact OD1-CG 3.26Å; D188-K190 PolarHBondContact OD1-N 3.15Å; D188-K190 VanDerWaalsContact OD1-N 3.16Å; D188-K190 WeakPolarHBondContact OD2-CD 3.32Å; D188-K190 WeakPolarHBondContact OD2-CE 3.37Å; D188-K190 IonicContact OD2-NZ 3.13Å; D188-K190 PolarHBondContact OD2-NZ 3.4Å
191	C	86.5	Confident	88.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159	167.1	72.1	0	0	0	0	112.1	L56 L61 L185	L56-C191 PolarHBondContact N-O 3.43Å; L56-C191 PolarHBondContact O-N 3.15Å; L61-C191 HydrophobicContact CD1-CB 4.38Å; L185-C191 HydrophobicContact CD2-CB 4.12Å
192	I	89	Confident	89	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.6	178.9	-70.9	153	0	0	0	110	T53 L55 K143 F186 T665 I668	T53-I192 HydrophobicContact CG2-CG2 3.55Å; L55-I192 HydrophobicContact CD1-CG1 4.04Å; K143-I192 HydrophobicContact CB-CB 4.2Å; K143-I192 HydrophobicContact CB-CG2 4.12Å; K143-I192 HydrophobicContact CG-CG2 3.93Å; K143-I192 PolarHBondContact N-O 3.03Å; F186-I192 HydrophobicContact CE2-CD1 3.47Å; F186-I192 VanDerWaalsContact CE2-CD1 3.47Å; F186-I192 HydrophobicContact CE2-CG1 3.78Å; F186-I192 HydrophobicContact CZ-CD1 3.42Å; F186-I192 VanDerWaalsContact CZ-CD1 3.42Å; F186-I192 HydrophobicContact CZ-CG1 4.25Å; I192-T665 HydrophobicContact CD1-CG2 3.49Å; I192-T665 VanDerWaalsContact CD1-CG2 3.49Å; I192-T665 HydrophobicContact CG1-CG2 3.73Å; I192-T665 HydrophobicContact CG2-CG2 4.47Å; I192-I668 HydrophobicContact CD1-CD1 3.81Å
193	I	91	Very high	89.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.1	175.3	-56.3	174.7	0	0	0	108.3	T53 F54 L56 F84 F93 F140	T53-I193 CarbonylContact C-O 3.56Å; T53-I193 WeakPolarHBondContact CA-O 3.41Å; F54-I193 PolarHBondContact N-O 2.84Å; F54-I193 PolarHBondContact O-N 2.77Å; L56-I193 HydrophobicContact CB-CD1 4.22Å; L56-I193 HydrophobicContact CD2-CD1 3.92Å; F84-I193 HydrophobicContact CD1-CD1 3.83Å; F84-I193 HydrophobicContact CE1-CB 4.46Å; F84-I193 HydrophobicContact CE1-CD1 3.38Å; F84-I193 HydrophobicContact CE1-CG1 4.49Å; F84-I193 HydrophobicContact CE1-CG2 4.15Å; F84-I193 HydrophobicContact CZ-CD1 4.04Å; F93-I193 HydrophobicContact CE1-CD1 3.93Å; F93-I193 HydrophobicContact CZ-CD1 4.26Å; F140-I193 HydrophobicContact CD1-CG2 4.12Å
194	E	93	Very high	89.9	Confident	27 Å²	27	31.5 Å²	31.5	13%	0.126	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.5	171.4	-70.3	-178	178	0	0	110	R39 I51 F52 T53 F140 T141 K143	R39-E194 IonicContact CZ-OE1 2.76Å; R39-E194 IonicContact NH2-OE1 3.98Å; R39-E194 PolarHBondContact NH2-OE1 2.89Å; I51-E194 HydrophobicContact CG2-CB 4.45Å; F52-E194 CarbonylContact O-C 3.46Å; F52-E194 WeakPolarHBondContact O-CA 3.07Å; T53-E194 HydrophobicContact CG2-CG 3.92Å; F140-E194 CarbonylContact C-O 3.48Å; F140-E194 VanDerWaalsContact CA-O 3.3Å; F140-E194 WeakPolarHBondContact CA-O 3.09Å; T141-E194 PolarHBondContact N-O 3.17Å; T141-E194 PolarHBondContact O-N 3.45Å; K143-E194 WeakPolarHBondContact CE-OE1 3.38Å; K143-E194 WeakPolarHBondContact CE-OE2 3.42Å; K143-E194 HydrophobicContact CG-CG 4.48Å; K143-E194 IonicContact NZ-OE1 3.08Å; K143-E194 IonicContact NZ-OE2 3.2Å; K143-E194 PolarHBondContact NZ-OE2 3.24Å
195	L	95.8	Very high	90.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.8	168.1	171.4	64.5	0	0	0	107.8	I51 F52 F54 F73 V82 L95 F138 E139 F140 L197	I51-L195 CarbonylContact C-O 3.55Å; I51-L195 WeakPolarHBondContact CA-O 3.33Å; F52-L195 HydrophobicContact CB-CB 4.37Å; F52-L195 PolarHBondContact N-O 3.22Å; F52-L195 PolarHBondContact O-N 3.42Å; F54-L195 HydrophobicContact CE2-CB 4.1Å; F54-L195 HydrophobicContact CE2-CD2 4.45Å; F73-L195 HydrophobicContact CE2-CD2 4.21Å; F73-L195 HydrophobicContact CZ-CD2 3.67Å; V82-L195 HydrophobicContact CG2-CD2 3.71Å; L95-L195 HydrophobicContact CD1-CD2 3.93Å; F138-L195 HydrophobicContact CB-CD1 4.18Å; E139-L195 CarbonylContact O-C 3.52Å; E139-L195 VanDerWaalsContact O-CA 3.31Å; E139-L195 WeakPolarHBondContact O-CA 3.34Å; F140-L195 HydrophobicContact CD1-CB 4.32Å; F140-L195 HydrophobicContact CD1-CD1 4.11Å; F140-L195 HydrophobicContact CD2-CD1 4.31Å; F140-L195 HydrophobicContact CE1-CB 4.16Å; F140-L195 HydrophobicContact CE1-CD1 3.81Å; F140-L195 HydrophobicContact CE1-CD2 4.48Å; F140-L195 HydrophobicContact CE1-CG 4.37Å; F140-L195 HydrophobicContact CE2-CD1 4.04Å; F140-L195 HydrophobicContact CG-CD1 4.37Å; F140-L195 HydrophobicContact CZ-CD1 3.78Å; L195-L197 HydrophobicContact CD1-CD2 3.75Å; L195-L197 HydrophobicContact CD1-CG 4.4Å; L195-L197 HydrophobicContact CD2-CD1 4.31Å; L195-L197 HydrophobicContact CD2-CD2 4.1Å; L195-L197 HydrophobicContact CD2-CG 4.2Å; L195-L197 HydrophobicContact CG-CD2 3.94Å; L195-L197 HydrophobicContact CG-CG 4.06Å
196	G	95.8	Very high	90.4	Very high	8 Å²	8	33.7 Å²	33.7	8%	0.082	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.2	167.6	0	0	0	0	0	110.3	Q50 F138 E139	Q50-G196 WeakPolarHBondContact O-CA 3.23Å; F138-G196 CarbonylContact C-O 3.57Å; F138-G196 VanDerWaalsContact CA-O 3.26Å; F138-G196 WeakPolarHBondContact CA-O 3.42Å; E139-G196 PolarHBondContact N-O 3.15Å; E139-G196 PolarHBondContact O-N 3.28Å
197	L	97.1	Very high	90.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.5	173.5	-59.1	-178.8	0	0	0	109.6	S49 Q50 F52 F73 Y75 L95 L136 D137 F138 L195	S49-L197 VanDerWaalsContact CA-O 3.32Å; S49-L197 WeakPolarHBondContact CA-O 3.4Å; Q50-L197 PolarHBondContact N-O 3.27Å; Q50-L197 PolarHBondContact O-N 2.95Å; F52-L197 HydrophobicContact CD2-CD1 4.34Å; F52-L197 HydrophobicContact CE2-CD1 3.88Å; F52-L197 HydrophobicContact CE2-CG 4.33Å; F73-L197 HydrophobicContact CE2-CD1 4Å; Y75-L197 HydrophobicContact CD1-CB 4.01Å; Y75-L197 HydrophobicContact CD1-CD1 3.58Å; Y75-L197 HydrophobicContact CD1-CG 4.39Å; Y75-L197 HydrophobicContact CD2-CB 4.04Å; Y75-L197 HydrophobicContact CD2-CD1 4.07Å; Y75-L197 HydrophobicContact CE1-CB 3.69Å; Y75-L197 HydrophobicContact CE1-CD1 4.15Å; Y75-L197 HydrophobicContact CE1-CG 4.49Å; Y75-L197 HydrophobicContact CE2-CB 3.74Å; Y75-L197 HydrophobicContact CG-CB 4.15Å; Y75-L197 HydrophobicContact CG-CD1 3.52Å; Y75-L197 HydrophobicContact CG-CG 4.48Å; L95-L197 HydrophobicContact CD2-CD2 3.7Å; L136-L197 HydrophobicContact CD1-CD2 4.05Å; D137-L197 CarbonylContact O-C 3.58Å; D137-L197 WeakPolarHBondContact O-CA 3.44Å; F138-L197 HydrophobicContact CB-CD2 3.48Å; F138-L197 VanDerWaalsContact CB-CD2 3.48Å; L195-L197 HydrophobicContact CD1-CD2 3.75Å; L195-L197 HydrophobicContact CD1-CG 4.4Å; L195-L197 HydrophobicContact CD2-CD1 4.31Å; L195-L197 HydrophobicContact CD2-CD2 4.1Å; L195-L197 HydrophobicContact CD2-CG 4.2Å; L195-L197 HydrophobicContact CG-CD2 3.94Å; L195-L197 HydrophobicContact CG-CG 4.06Å
198	R	95.1	Very high	91.3	Very high	105 Å²	105	28.8 Å²	28.8	40%	0.396	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.1	-176.5	-38.4	-177.8	-163.7	176.6	9	111.2	A47 S49 Y75 D137 E139	A47-R198 HydrophobicContact CB-CB 4.41Å; S49-R198 WeakPolarHBondContact OG-CG 3.43Å; Y75-R198 VanDerWaalsContact OH-C 3.3Å; Y75-R198 VanDerWaalsContact OH-CA 3.29Å; Y75-R198 WeakPolarHBondContact OH-CA 3.27Å; Y75-R198 PolarHBondContact OH-N 3.25Å; D137-R198 HydrophobicContact CB-CB 4.24Å; D137-R198 PolarHBondContact N-O 3.18Å; D137-R198 PolarHBondContact O-N 3.02Å; E139-R198 IonicContact OE2-CZ 3.98Å; E139-R198 IonicContact OE2-NH2 3.99Å; E139-R198 PolarHBondContact OE2-NH2 3Å
199	N	93.2	Very high	91.8	Very high	69 Å²	69	27.1 Å²	27.1	37%	0.369	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.3	55.9	174.2	-62.4	-40.1	0	0	0	114	A47 D137 H201	A47-N199 WeakPolarHBondContact CA-OD1 3.42Å; A47-N199 VanDerWaalsContact CB-OD1 3.29Å; A47-N199 WeakPolarHBondContact CB-OD1 3.49Å; A47-N199 PolarHBondContact O-N 3.36Å; D137-N199 PolarHBondContact OD2-ND2 2.76Å; N199-H201 PolarHBondContact O-N 3.44Å
200	P	94.3	Very high	92.1	Very high	35 Å²	35	31.1 Å²	31.1	23%	0.227	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.8	178.5	30.4	-27.7	0	0	0	110.4	N48 Y75 A76 T135	N48-P200 HydrophobicContact CB-CG 4.21Å; Y75-P200 HydrophobicContact CE1-CB 3.78Å; Y75-P200 HydrophobicContact CE1-CG 4.25Å; Y75-P200 VanDerWaalsContact OH-CD 3.24Å; Y75-P200 WeakPolarHBondContact OH-CD 3.27Å; Y75-P200 WeakPolarHBondContact OH-CG 3.37Å; A76-P200 HydrophobicContact CB-CB 3.51Å; A76-P200 HydrophobicContact CB-CG 4.23Å; T135-P200 CarbonylContact O-C 3.53Å; T135-P200 WeakPolarHBondContact O-CA 3.19Å
201	H	94.4	Very high	92.2	Very high	48 Å²	48	32.3 Å²	32.3	22%	0.222	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.2	173.8	176.5	-98.3	0	0	0	108.8	I134 T135 N199 C203 E416	I134-H201 CarbonylContact C-O 3.56Å; I134-H201 WeakPolarHBondContact CA-O 3.45Å; T135-H201 PolarHBondContact N-O 3.15Å; T135-H201 PolarHBondContact O-N 2.94Å; T135-H201 VanDerWaalsContact OG1-CB 3.28Å; T135-H201 WeakPolarHBondContact OG1-CB 3.11Å; T135-H201 PolarHBondContact OG1-ND1 3.01Å; T135-H201 PolarHBondContact OG1-O 3.5Å; N199-H201 PolarHBondContact O-N 3.44Å; H201-C203 PolarHBondContact CE1-SG 3.47Å; H201-E416 IonicContact CD2-OE1 3.08Å; H201-E416 PolarHBondContact CD2-OE1 3.4Å; H201-E416 IonicContact CE1-OE1 3.96Å; H201-E416 IonicContact NE2-OE1 2.89Å; H201-E416 PolarHBondContact NE2-OE1 3.44Å
202	V	94.8	Very high	91.9	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.1	-171.4	179.7	0	0	0	0	109	A76 I134 I204 Y258 M417	A76-V202 HydrophobicContact CB-CG2 4.47Å; I134-V202 HydrophobicContact CG1-CG1 4.33Å; I134-V202 HydrophobicContact CG1-CG2 4.25Å; I134-V202 HydrophobicContact CG2-CG2 4.13Å; V202-I204 HydrophobicContact CG1-CG1 4.38Å; V202-Y258 HydrophobicContact CG1-CE2 4.11Å; V202-M417 HydrophobicContact CB-CB 4.14Å; V202-M417 HydrophobicContact CG1-CB 4.27Å; V202-M417 HydrophobicContact CG1-CG 4.22Å; V202-M417 PolarHBondContact O-N 2.83Å
203	C	94.3	Very high	91.1	Very high	24 Å²	24	40.6 Å²	40.6	16%	0.162	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.4	174.5	-79.4	0	0	0	0	110.5	T133 H201 L415	T133-C203 PolarHBondContact N-O 3.17Å; T133-C203 PolarHBondContact O-N 2.69Å; H201-C203 PolarHBondContact CE1-SG 3.47Å; C203-L415 CarbonylContact C-O 3.59Å; C203-L415 WeakPolarHBondContact CA-O 3.25Å
204	I	92.8	Very high	90.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121	176.1	-52.8	176	0	0	0	106.4	K132 V202 L206 F256 Y258 L415 M417	K132-I204 HydrophobicContact CG-CG1 4.25Å; V202-I204 HydrophobicContact CG1-CG1 4.38Å; I204-L206 HydrophobicContact CG2-CD2 3.6Å; I204-L206 HydrophobicContact CG2-CG 4.04Å; I204-F256 HydrophobicContact CD1-CD2 3.81Å; I204-F256 HydrophobicContact CD1-CE2 3.77Å; I204-F256 HydrophobicContact CG2-CD2 4.24Å; I204-F256 HydrophobicContact CG2-CG 4.49Å; I204-Y258 HydrophobicContact CD1-CD2 4.09Å; I204-L415 HydrophobicContact CB-CB 4.45Å; I204-L415 PolarHBondContact N-O 3.17Å; I204-L415 PolarHBondContact O-N 2.93Å; I204-M417 HydrophobicContact CD1-CG 3.94Å; I204-M417 HydrophobicContact CD1-SD 4.37Å; I204-M417 HydrophobicContact CG1-CG 4.33Å
205	K	91.3	Very high	89	Confident	88 Å²	88	47.4 Å²	47.4	38%	0.383	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.3	171.1	-58.7	178.9	164.2	179.8	0	109	Q130 W131 I413 T414	Q130-K205 WeakPolarHBondContact CA-O 3.36Å; W131-K205 VanDerWaalsContact CD1-CD 3.42Å; W131-K205 PolarHBondContact N-O 3.16Å; W131-K205 PolarHBondContact O-N 2.73Å; K205-I413 CarbonylContact C-O 3.59Å; K205-I413 VanDerWaalsContact CA-O 3.24Å; K205-I413 WeakPolarHBondContact CA-O 3.33Å; K205-T414 HydrophobicContact CG-CG2 3.93Å
206	L	92	Very high	87.3	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.8	-172.4	-58.7	175.7	0	0	0	109.4	Q130 I204 T253 F256 C412 I413 L415	Q130-L206 HydrophobicContact CB-CD2 4.42Å; I204-L206 HydrophobicContact CG2-CD2 3.6Å; I204-L206 HydrophobicContact CG2-CG 4.04Å; L206-T253 HydrophobicContact CB-CG2 4.03Å; L206-T253 HydrophobicContact CD1-CG2 4.06Å; L206-F256 HydrophobicContact CD1-CD1 3.65Å; L206-F256 HydrophobicContact CD1-CE1 3.55Å; L206-F256 HydrophobicContact CD1-CG 4.41Å; L206-F256 HydrophobicContact CD1-CZ 4.25Å; L206-F256 HydrophobicContact CD2-CB 3.77Å; L206-F256 HydrophobicContact CD2-CD1 3.67Å; L206-F256 HydrophobicContact CD2-CE1 4.41Å; L206-F256 HydrophobicContact CD2-CG 3.8Å; L206-F256 HydrophobicContact CG-CD1 4.33Å; L206-C412 CarbonylContact O-C 3.57Å; L206-C412 WeakPolarHBondContact O-CA 3.33Å; L206-I413 PolarHBondContact N-O 3.46Å; L206-I413 PolarHBondContact O-N 2.86Å; L206-L415 HydrophobicContact CD1-CD1 3.49Å; L206-L415 VanDerWaalsContact CD1-CD1 3.49Å; L206-L415 HydrophobicContact CD1-CG 4.11Å
207	Q	90.1	Very high	85.2	Confident	65 Å²	65	59.3 Å²	59.3	30%	0.304	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.6	166.5	-169	160.5	32.4	0	0	109.2	T253 D254 K410	Q207-T253 WeakPolarHBondContact O-CA 3.49Å; Q207-D254 PolarHBondContact O-N 2.83Å; Q207-K410 HydrophobicContact CG-CB 4.21Å; Q207-K410 HydrophobicContact CG-CD 4.42Å
208	A	90.9	Very high	82.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.4	170.6	0	0	0	0	0	109.5	F251 T253 K410 F411 I413	A208-F251 HydrophobicContact CB-CB 4.25Å; A208-F251 HydrophobicContact CB-CD1 4.21Å; A208-T253 HydrophobicContact CB-CG2 4.25Å; A208-K410 WeakPolarHBondContact O-CA 3.31Å; A208-F411 HydrophobicContact CB-CD1 4.47Å; A208-F411 HydrophobicContact CB-CE1 4.14Å; A208-F411 HydrophobicContact CB-CE2 4.21Å; A208-F411 HydrophobicContact CB-CZ 4Å; A208-F411 PolarHBondContact N-O 2.65Å; A208-F411 PolarHBondContact O-N 2.98Å; A208-I413 HydrophobicContact CB-CD1 3.62Å; A208-I413 HydrophobicContact CB-CG1 4.35Å
209	N	90.4	Very high	79.9	Confident	32 Å²	32	68.4 Å²	68.4	17%	0.171	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.1	175.8	-55.9	-74	0	0	0	109	V211 F251 E252 K410	N209-V211 PolarHBondContact O-N 2.72Å; N209-F251 VanDerWaalsContact C-CD1 3.41Å; N209-F251 WeakPolarHBondContact O-CA 3.2Å; N209-E252 PolarHBondContact N-O 2.87Å; N209-E252 PolarHBondContact O-N 2.77Å; N209-K410 WeakPolarHBondContact OD1-CD 3.32Å; N209-K410 WeakPolarHBondContact OD1-CE 2.83Å; N209-K410 VanDerWaalsContact OD1-CG 3.31Å; N209-K410 WeakPolarHBondContact OD1-CG 3.38Å; N209-K410 PolarHBondContact OD1-NZ 3.39Å
210	Q	88.4	Confident	77.4	Confident	101 Å²	101	72.1 Å²	72.1	47%	0.472	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.5	173.1	-167.1	176.7	-7.7	0	0	109.6	I249 H250 F251 S409	Q210-I249 HydrophobicContact CG-CG2 4.18Å; Q210-H250 WeakPolarHBondContact CA-O 3.41Å; Q210-F251 HydrophobicContact CB-CD1 4.03Å; Q210-F251 HydrophobicContact CB-CE1 3.55Å; Q210-F251 HydrophobicContact CB-CZ 3.92Å; Q210-F251 HydrophobicContact CG-CE1 4.22Å; Q210-F251 HydrophobicContact CG-CZ 4.12Å; Q210-F251 VanDerWaalsContact N-CD1 3.33Å; Q210-S409 PolarHBondContact N-O 2.88Å
211	V	85.4	Confident	74.6	Confident	64 Å²	64	79.7 Å²	79.7	39%	0.388	40%	0.403	S	S	.	.			trans	-128.6	153	179.1	-174.3	0	0	0	0	108.5	N209 D213 H250 E252	N209-V211 PolarHBondContact O-N 2.72Å; V211-D213 PolarHBondContact O-N 3.3Å; V211-H250 PolarHBondContact N-O 3.4Å; V211-H250 VanDerWaalsContact N-O 3.12Å; V211-E252 HydrophobicContact CG2-CB 4.13Å
212	E	80	Confident	71.9	Confident	156 Å²	156	87.8 Å²	87.8	73%	0.729	44%	0.438	S	S	*	.			trans	-62.1	128.5	170.4	-68.3	-173.8	171.2	0	0	109.7	P214	E212-P214 WeakPolarHBondContact O-CD 3.3Å; E212-P214 VanDerWaalsContact O-N 3.14Å
213	D	73.4	Confident	69.2	Low	22 Å²	22	90.9 Å²	90.9	12%	0.118	47%	0.47	C	S	.	.			trans	-59	118.5	178.3	178.2	-9.7	0	0	0	109.5	V211 T215 N216 H250	V211-D213 PolarHBondContact O-N 3.3Å; D213-T215 PolarHBondContact O-N 2.61Å; D213-T215 VanDerWaalsContact O-N 3.08Å; D213-T215 WeakPolarHBondContact OD1-CA 3.39Å; D213-T215 WeakPolarHBondContact OD1-CB 3.34Å; D213-T215 PolarHBondContact OD1-N 3.2Å; D213-T215 PolarHBondContact OD1-OG1 2.76Å; D213-T215 PolarHBondContact OD2-OG1 2.83Å; D213-N216 HydrophobicContact CB-CB 4.46Å; D213-N216 WeakPolarHBondContact O-CB 3.45Å; D213-N216 PolarHBondContact O-N 3.46Å; D213-H250 HydrophobicContact CB-CB 3.95Å
214	P	69.9	Low	66.7	Low	89 Å²	89	98.5 Å²	98.5	58%	0.578	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.6	-178.7	25.2	-34	0	0	0	112.5	E212	E212-P214 WeakPolarHBondContact O-CD 3.3Å; E212-P214 VanDerWaalsContact O-N 3.14Å
215	T	68.6	Low	64.3	Low	81 Å²	81	107.9 Å²	107.9	50%	0.497	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.2	177	73.9	0	0	0	0	113.7	D213 H217 M218	D213-T215 PolarHBondContact O-N 2.61Å; D213-T215 VanDerWaalsContact O-N 3.08Å; D213-T215 WeakPolarHBondContact OD1-CA 3.39Å; D213-T215 WeakPolarHBondContact OD1-CB 3.34Å; D213-T215 PolarHBondContact OD1-N 3.2Å; D213-T215 PolarHBondContact OD1-OG1 2.76Å; D213-T215 PolarHBondContact OD2-OG1 2.83Å; T215-H217 PolarHBondContact O-N 2.71Å; T215-M218 CarbonylContact O-C 3.59Å; T215-M218 WeakPolarHBondContact O-CA 3.46Å; T215-M218 WeakPolarHBondContact O-CB 3.29Å; T215-M218 PolarHBondContact O-N 2.91Å
216	N	61.1	Low	62	Low	104 Å²	104	109.9 Å²	109.9	56%	0.556	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.1	176.8	-85.6	-23.7	0	0	0	112.8	D213 M218	D213-N216 HydrophobicContact CB-CB 4.46Å; D213-N216 WeakPolarHBondContact O-CB 3.45Å; D213-N216 PolarHBondContact O-N 3.46Å; N216-M218 VanDerWaalsContact C-N 3.3Å
217	H	51.5	Low	59.9	Low	154 Å²	154	115.1 Å²	115.1	71%	0.713	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-16.6	173.8	-61.4	-57.8	0	0	0	113.4	T215 L219	T215-H217 PolarHBondContact O-N 2.71Å; H217-L219 PolarHBondContact O-N 3.16Å
218	M	46.4	Very low	58.1	Low	126 Å²	126	114.9 Å²	114.9	62%	0.621	57%	0.572	S	S	*	*	S	Bend	trans	-92.9	94.7	175	-61.9	-108.5	105.6	0	0	107.7	T215 N216 L220	T215-M218 CarbonylContact O-C 3.59Å; T215-M218 WeakPolarHBondContact O-CA 3.46Å; T215-M218 WeakPolarHBondContact O-CB 3.29Å; T215-M218 PolarHBondContact O-N 2.91Å; N216-M218 VanDerWaalsContact C-N 3.3Å; M218-L220 HydrophobicContact CB-CD1 4.06Å; M218-L220 HydrophobicContact CB-CG 4.32Å; M218-L220 PolarHBondContact O-N 2.88Å
219	L	35	Very low	56.2	Low	170 Å²	170	120.7 Å²	120.7	89%	0.89	60%	0.603	S	S	*	*			trans	-64.3	58	172.9	-72.1	166.6	0	0	0	112.4	H217 K221	H217-L219 PolarHBondContact O-N 3.16Å; L219-K221 VanDerWaalsContact C-N 3.3Å; L219-K221 PolarHBondContact O-N 2.91Å
220	L	39.6	Very low	54.5	Low	147 Å²	147	124.7 Å²	124.7	77%	0.77	63%	0.625	S	S	*	*			trans	-80.4	82.8	175.3	-76.5	164	0	0	0	108.3	M218	M218-L220 HydrophobicContact CB-CD1 4.06Å; M218-L220 HydrophobicContact CB-CG 4.32Å; M218-L220 PolarHBondContact O-N 2.88Å
221	K	36.6	Very low	53.2	Low	195 Å²	195	122 Å²	122	85%	0.848	62%	0.624	S	S	*	*			trans	19.9	105.3	155.8	-69.3	-177.8	176.3	179.5	0	115.7	L219 G223	L219-K221 VanDerWaalsContact C-N 3.3Å; L219-K221 PolarHBondContact O-N 2.91Å; K221-G223 VanDerWaalsContact C-N 3.34Å; K221-G223 PolarHBondContact O-N 3.43Å
222	K	38	Very low	52.5	Low	218 Å²	218	121.6 Å²	121.6	95%	0.948	62%	0.624	S	S	*	*			trans	-28.5	88.4	154.4	-72.2	178	173.2	179.4	0	112.3
223	G	37.2	Very low	52.4	Low	68 Å²	68	114.2 Å²	114.2	70%	0.701	59%	0.589	S	S	*	*			trans	-127.7	-15.6	-178.6	0	0	0	0	0	113.9	K221 K225	K221-G223 VanDerWaalsContact C-N 3.34Å; K221-G223 PolarHBondContact O-N 3.43Å; G223-K225 PolarHBondContact O-N 2.91Å; G223-K225 VanDerWaalsContact O-N 3.14Å
224	R	42.8	Very low	52.6	Low	184 Å²	184	115.4 Å²	115.4	69%	0.694	60%	0.597	S	S	*	*	S	Bend	trans	-71.3	107.8	163.1	-78.6	-173.8	178.1	176.2	1.9	106.5	R226 E294	R224-R226 VanDerWaalsContact C-N 3.3Å; R224-R226 PolarHBondContact O-N 3.33Å; R224-E294 IonicContact NH1-OE2 2.98Å; R224-E294 IonicContact NH2-OE2 2.8Å; R224-E294 PolarHBondContact NH2-OE2 3.42Å; R224-E294 VanDerWaalsContact NH2-OE2 3.17Å
225	K	41	Very low	53.1	Low	198 Å²	198	112 Å²	112	86%	0.861	57%	0.574	S	S	*	*			trans	-57	99.5	166.1	-79.8	-177.4	176.3	-179.1	0	106.5	G223 T227	G223-K225 PolarHBondContact O-N 2.91Å; G223-K225 VanDerWaalsContact O-N 3.14Å; K225-T227 PolarHBondContact O-N 3.08Å; K225-T227 VanDerWaalsContact O-N 3.07Å
226	R	43.9	Very low	53.5	Low	131 Å²	131	117.1 Å²	117.1	49%	0.494	59%	0.585	S	S	.	*			trans	-58.8	111.1	172.3	-69.2	-178	174.8	-169.9	-7.6	107.1	R224 H228 N230 D247	R224-R226 VanDerWaalsContact C-N 3.3Å; R224-R226 PolarHBondContact O-N 3.33Å; R226-H228 VanDerWaalsContact C-N 3.26Å; R226-N230 WeakPolarHBondContact CD-OD1 2.91Å; R226-N230 PolarHBondContact NH1-OD1 3.29Å; R226-D247 IonicContact CZ-OD2 3.23Å; R226-D247 VanDerWaalsContact CZ-OD2 3.31Å; R226-D247 IonicContact NH1-OD2 3.87Å; R226-D247 PolarHBondContact NH1-OD2 2.72Å; R226-D247 IonicContact NH2-OD2 3.69Å; R226-D247 PolarHBondContact NH2-OD2 2.75Å
227	T	46.7	Very low	54	Low	112 Å²	112	117.8 Å²	117.8	69%	0.687	58%	0.579	S	S	*	*			trans	-83.8	-6.4	171.9	38.5	0	0	0	0	112.2	K225	K225-T227 PolarHBondContact O-N 3.08Å; K225-T227 VanDerWaalsContact O-N 3.07Å
228	H	52.3	Low	55	Low	60 Å²	60	119.8 Å²	119.8	28%	0.278	59%	0.591	S	S	.	*	S	Bend	trans	-111	148.7	-173.8	-54.1	-68.5	0	0	0	111	R226 Y272	R226-H228 VanDerWaalsContact C-N 3.26Å; H228-Y272 HydrophobicContact CB-CD2 4.03Å; H228-Y272 HydrophobicContact CB-CG 4.21Å; H228-Y272 AromaticContact CE1-CE2 3.85Å; H228-Y272 AromaticContact CG-CD2 3.7Å; H228-Y272 AromaticContact ND1-CD2 3.64Å; H228-Y272 AromaticContact ND1-CE2 3.64Å
229	N	52.3	Low	56.5	Low	122 Å²	122	117.7 Å²	117.7	65%	0.652	58%	0.583	S	S	*	*			trans	-63.9	135.6	-174.2	-152.6	3.7	0	0	0	110.1	G231 V275	N229-G231 PolarHBondContact O-N 2.82Å; N229-V275 HydrophobicContact CB-CG2 4.43Å
230	N	53.6	Low	58.5	Low	117 Å²	117	115.3 Å²	115.3	63%	0.626	57%	0.571	S	S	*	*			trans	-68.6	20.3	-178	-78.6	-28.1	0	0	0	114.2	R226 S232	R226-N230 WeakPolarHBondContact CD-OD1 2.91Å; R226-N230 PolarHBondContact NH1-OD1 3.29Å; N230-S232 PolarHBondContact O-N 3.37Å
231	G	61.7	Low	60.3	Low	44 Å²	44	113.8 Å²	113.8	45%	0.454	56%	0.56	S	S	.	*			trans	-80.9	113.8	177.4	0	0	0	0	0	109.7	N229 V233	N229-G231 PolarHBondContact O-N 2.82Å; G231-V233 PolarHBondContact O-N 2.89Å
232	S	70	Confident	62.5	Low	55 Å²	55	108.9 Å²	108.9	39%	0.385	55%	0.546	S	S	.	.			trans	-49	131.7	169.6	55.4	0	0	0	0	109.8	N230 V234	N230-S232 PolarHBondContact O-N 3.37Å; S232-V234 PolarHBondContact O-N 2.77Å; S232-V234 VanDerWaalsContact O-N 3.16Å
233	V	78.4	Confident	64.6	Low	1 Å²	1	99.8 Å²	99.8	1%	0.006	51%	0.508	C	S	.	.			trans	-67.6	118	176.6	178	0	0	0	0	108.2	G231 L235 F245 P271 R273 V289	G231-V233 PolarHBondContact O-N 2.89Å; V233-L235 HydrophobicContact CG1-CD2 4.27Å; V233-L235 HydrophobicContact CG1-CG 4.33Å; V233-F245 HydrophobicContact CG1-CD2 4.34Å; V233-F245 WeakPolarHBondContact O-CD2 3.36Å; V233-F245 PolarHBondContact O-N 2.84Å; V233-P271 HydrophobicContact CB-CB 4.24Å; V233-P271 HydrophobicContact CG2-CB 3.89Å; V233-R273 HydrophobicContact CG2-CG 4.34Å; V233-V289 HydrophobicContact CG1-CG1 3.83Å; V233-V289 HydrophobicContact CG1-CG2 4.36Å
234	V	78.7	Confident	66.8	Low	47 Å²	47	100.7 Å²	100.7	29%	0.285	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.3	172.9	-173.8	0	0	0	0	108.6	S232 T242 I243 T244 R273	S232-V234 PolarHBondContact O-N 2.77Å; S232-V234 VanDerWaalsContact O-N 3.16Å; V234-T242 HydrophobicContact CG1-CG2 4.26Å; V234-I243 CarbonylContact C-O 3.57Å; V234-I243 VanDerWaalsContact CA-O 3.31Å; V234-I243 WeakPolarHBondContact CA-O 3.32Å; V234-T244 HydrophobicContact CG2-CG2 4.06Å; V234-R273 PolarHBondContact O-NH2 3.42Å
235	L	80.4	Confident	68.7	Low	19 Å²	19	92.3 Å²	92.3	10%	0.099	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.7	172.6	-61.8	-177	0	0	0	109.4	V233 T242 I243 F245 V289 V400 L403 L404	V233-L235 HydrophobicContact CG1-CD2 4.27Å; V233-L235 HydrophobicContact CG1-CG 4.33Å; L235-T242 CarbonylContact O-C 3.55Å; L235-T242 WeakPolarHBondContact O-CA 3.5Å; L235-I243 PolarHBondContact N-O 2.95Å; L235-I243 PolarHBondContact O-N 3.29Å; L235-F245 HydrophobicContact CB-CE2 4.15Å; L235-F245 HydrophobicContact CD1-CD2 4.5Å; L235-F245 HydrophobicContact CD1-CE2 3.55Å; L235-F245 HydrophobicContact CD1-CZ 4.05Å; L235-F245 HydrophobicContact CG-CD2 4.39Å; L235-F245 HydrophobicContact CG-CE2 3.74Å; L235-V289 HydrophobicContact CD2-CG2 4.05Å; L235-V400 HydrophobicContact CD1-CG1 4.02Å; L235-V400 HydrophobicContact CD2-CG2 4.2Å; L235-L403 HydrophobicContact CD1-CB 4.44Å; L235-L404 HydrophobicContact CD1-CD2 3.95Å; L235-L404 HydrophobicContact CD1-CG 4.05Å
236	R	75.5	Confident	70.6	Confident	188 Å²	188	86.1 Å²	86.1	71%	0.709	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.5	175	-167.7	176.6	66.6	178.4	0.9	109.5	E241 T242	R236-E241 CarbonylContact C-O 3.6Å; R236-E241 WeakPolarHBondContact CA-O 3.32Å; R236-T242 HydrophobicContact CB-CG2 4.3Å; R236-T242 HydrophobicContact CG-CG2 4.1Å
237	R	72.2	Confident	72.4	Confident	118 Å²	118	83.2 Å²	83.2	45%	0.445	44%	0.443	S	S	.	.			trans	-75.7	168.1	175.7	-65.6	178.9	82.3	-165.1	-1.9	110.8	D239 N240 E241 I243	R237-D239 WeakPolarHBondContact CB-OD1 3.46Å; R237-D239 IonicContact CZ-OD2 3.42Å; R237-D239 IonicContact NE-OD2 3.96Å; R237-D239 IonicContact NH1-OD2 3.05Å; R237-D239 PolarHBondContact NH1-OD2 2.91Å; R237-D239 IonicContact NH2-OD2 2.87Å; R237-D239 PolarHBondContact O-N 2.92Å; R237-N240 PolarHBondContact O-N 2.87Å; R237-N240 VanDerWaalsContact O-N 3.08Å; R237-E241 PolarHBondContact N-O 2.92Å; R237-E241 IonicContact NH1-OE2 2.78Å; R237-E241 PolarHBondContact NH1-OE2 3.28Å; R237-I243 HydrophobicContact CG-CD1 3.45Å; R237-I243 VanDerWaalsContact CG-CD1 3.45Å; R237-I243 HydrophobicContact CG-CG1 4.01Å
238	M	72.4	Confident	74.1	Confident	195 Å²	195	81.1 Å²	81.1	96%	0.961	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.5	178	-68.2	-67.9	-75.3	0	0	113.5	N240	M238-N240 PolarHBondContact O-N 3.36Å
239	D	78.2	Confident	75.8	Confident	83 Å²	83	78.5 Å²	78.5	44%	0.444	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	7.9	174.1	55.1	17.2	0	0	0	113.2	R237 E241	R237-D239 WeakPolarHBondContact CB-OD1 3.46Å; R237-D239 IonicContact CZ-OD2 3.42Å; R237-D239 IonicContact NE-OD2 3.96Å; R237-D239 IonicContact NH1-OD2 3.05Å; R237-D239 PolarHBondContact NH1-OD2 2.91Å; R237-D239 IonicContact NH2-OD2 2.87Å; R237-D239 PolarHBondContact O-N 2.92Å; D239-E241 PolarHBondContact O-N 2.83Å; D239-E241 VanDerWaalsContact OD1-CB 3.27Å; D239-E241 WeakPolarHBondContact OD1-CB 3.39Å; D239-E241 WeakPolarHBondContact OD1-CG 3.47Å; D239-E241 PolarHBondContact OD1-N 2.77Å
240	N	76.3	Confident	77.7	Confident	120 Å²	120	73.5 Å²	73.5	64%	0.642	39%	0.391	S	S	*	.	S	Bend	trans	65.6	5	-172	-66.1	-38	0	0	0	115.6	R237 M238	R237-N240 PolarHBondContact O-N 2.87Å; R237-N240 VanDerWaalsContact O-N 3.08Å; M238-N240 PolarHBondContact O-N 3.36Å
241	E	78.9	Confident	79.5	Confident	114 Å²	114	68 Å²	68	53%	0.533	36%	0.361	S	S	.	.			trans	-69.4	144.9	171.1	-63.6	-174.7	157.8	0	0	110.5	R236 R237 D239	R236-E241 CarbonylContact C-O 3.6Å; R236-E241 WeakPolarHBondContact CA-O 3.32Å; R237-E241 PolarHBondContact N-O 2.92Å; R237-E241 IonicContact NH1-OE2 2.78Å; R237-E241 PolarHBondContact NH1-OE2 3.28Å; D239-E241 PolarHBondContact O-N 2.83Å; D239-E241 VanDerWaalsContact OD1-CB 3.27Å; D239-E241 WeakPolarHBondContact OD1-CB 3.39Å; D239-E241 WeakPolarHBondContact OD1-CG 3.47Å; D239-E241 PolarHBondContact OD1-N 2.77Å
242	T	82	Confident	80.9	Confident	92 Å²	92	69.1 Å²	69.1	56%	0.564	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.4	178.1	53	0	0	0	0	110	V234 L235 R236	V234-T242 HydrophobicContact CG1-CG2 4.26Å; L235-T242 CarbonylContact O-C 3.55Å; L235-T242 WeakPolarHBondContact O-CA 3.5Å; R236-T242 HydrophobicContact CB-CG2 4.3Å; R236-T242 HydrophobicContact CG-CG2 4.1Å
243	I	82.3	Confident	81.9	Confident	28 Å²	28	66.7 Å²	66.7	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.7	174.1	-59.8	159.2	0	0	0	107.1	V234 L235 R237 F245 L404 V407	V234-I243 CarbonylContact C-O 3.57Å; V234-I243 VanDerWaalsContact CA-O 3.31Å; V234-I243 WeakPolarHBondContact CA-O 3.32Å; L235-I243 PolarHBondContact N-O 2.95Å; L235-I243 PolarHBondContact O-N 3.29Å; R237-I243 HydrophobicContact CG-CD1 3.45Å; R237-I243 VanDerWaalsContact CG-CD1 3.45Å; R237-I243 HydrophobicContact CG-CG1 4.01Å; I243-F245 HydrophobicContact CB-CE2 4.15Å; I243-F245 HydrophobicContact CB-CZ 4.48Å; I243-F245 HydrophobicContact CG2-CD2 4.13Å; I243-F245 HydrophobicContact CG2-CE1 4.2Å; I243-F245 HydrophobicContact CG2-CE2 3.58Å; I243-F245 HydrophobicContact CG2-CZ 3.64Å; I243-L404 HydrophobicContact CD1-CD2 3.68Å; I243-V407 HydrophobicContact CD1-CG1 4.47Å; I243-V407 HydrophobicContact CD1-CG2 4.09Å; I243-V407 HydrophobicContact CG2-CG2 3.93Å
244	T	82.6	Confident	82.3	Confident	87 Å²	87	69.2 Å²	69.2	53%	0.534	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.3	172.6	-55.8	0	0	0	0	108.7	V234	V234-T244 HydrophobicContact CG2-CG2 4.06Å
245	F	83.5	Confident	82.7	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.035	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-87.7	141.7	176.9	-66.4	-90.3	0	0	0	110.5	V233 L235 I243 I249 P271 L403 V407	V233-F245 HydrophobicContact CG1-CD2 4.34Å; V233-F245 WeakPolarHBondContact O-CD2 3.36Å; V233-F245 PolarHBondContact O-N 2.84Å; L235-F245 HydrophobicContact CB-CE2 4.15Å; L235-F245 HydrophobicContact CD1-CD2 4.5Å; L235-F245 HydrophobicContact CD1-CE2 3.55Å; L235-F245 HydrophobicContact CD1-CZ 4.05Å; L235-F245 HydrophobicContact CG-CD2 4.39Å; L235-F245 HydrophobicContact CG-CE2 3.74Å; I243-F245 HydrophobicContact CB-CE2 4.15Å; I243-F245 HydrophobicContact CB-CZ 4.48Å; I243-F245 HydrophobicContact CG2-CD2 4.13Å; I243-F245 HydrophobicContact CG2-CE1 4.2Å; I243-F245 HydrophobicContact CG2-CE2 3.58Å; I243-F245 HydrophobicContact CG2-CZ 3.64Å; F245-I249 HydrophobicContact CD1-CD1 3.89Å; F245-P271 HydrophobicContact CB-CG 3.96Å; F245-L403 HydrophobicContact CE1-CB 4.03Å; F245-L403 VanDerWaalsContact CE1-O 3.23Å; F245-L403 WeakPolarHBondContact CE1-O 3.5Å; F245-L403 HydrophobicContact CE2-CB 4.49Å; F245-L403 HydrophobicContact CZ-CB 3.93Å; F245-L403 WeakPolarHBondContact CZ-O 3.24Å; F245-V407 HydrophobicContact CE1-CG2 3.75Å; F245-V407 HydrophobicContact CZ-CG2 3.74Å
246	P	80.6	Confident	83.1	Confident	68 Å²	68	70.9 Å²	70.9	44%	0.442	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.6	163.8	172	33.2	-36.3	0	0	0	110.8	T248 I249 P271	P246-T248 PolarHBondContact O-N 2.74Å; P246-I249 HydrophobicContact CG-CD1 4.41Å; P246-I249 HydrophobicContact CG-CG1 3.58Å; P246-P271 WeakPolarHBondContact O-CG 3.39Å
247	D	81.5	Confident	83.6	Confident	70 Å²	70	63.9 Å²	63.9	37%	0.374	33%	0.334	S	S	.	.	S	Bend	trans	-55.7	-35.9	177.5	-77.6	12.6	0	0	0	112.3	R226	R226-D247 IonicContact CZ-OD2 3.23Å; R226-D247 VanDerWaalsContact CZ-OD2 3.31Å; R226-D247 IonicContact NH1-OD2 3.87Å; R226-D247 PolarHBondContact NH1-OD2 2.72Å; R226-D247 IonicContact NH2-OD2 3.69Å; R226-D247 PolarHBondContact NH2-OD2 2.75Å
248	T	83.6	Confident	84.4	Confident	67 Å²	67	58.7 Å²	58.7	41%	0.411	32%	0.315	S	S	.	.			trans	-140.6	138.7	-179.7	55	0	0	0	0	110.6	P246 I269	P246-T248 PolarHBondContact O-N 2.74Å; T248-I269 CarbonylContact C-O 3.49Å; T248-I269 WeakPolarHBondContact CA-O 3.48Å
249	I	87.9	Confident	85	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.9	177.6	-45.2	162.4	0	0	0	108.7	Q210 F245 P246 F251 I269	Q210-I249 HydrophobicContact CG-CG2 4.18Å; F245-I249 HydrophobicContact CD1-CD1 3.89Å; P246-I249 HydrophobicContact CG-CD1 4.41Å; P246-I249 HydrophobicContact CG-CG1 3.58Å; I249-F251 HydrophobicContact CB-CE2 4.22Å; I249-F251 HydrophobicContact CG2-CD2 3.98Å; I249-F251 HydrophobicContact CG2-CE2 3.29Å; I249-F251 HydrophobicContact CG2-CZ 3.97Å; I249-I269 HydrophobicContact CB-CB 4.35Å; I249-I269 PolarHBondContact N-O 3.32Å; I249-I269 PolarHBondContact O-N 3.48Å
250	H	90.4	Very high	85.2	Confident	17 Å²	17	49.4 Å²	49.4	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.5	-179.7	-176.4	74.1	0	0	0	111.3	Q210 V211 D213 D268	Q210-H250 WeakPolarHBondContact CA-O 3.41Å; V211-H250 PolarHBondContact N-O 3.4Å; V211-H250 VanDerWaalsContact N-O 3.12Å; D213-H250 HydrophobicContact CB-CB 3.95Å; H250-D268 IonicContact CE1-OD1 3.38Å; H250-D268 IonicContact CG-OD1 3.81Å; H250-D268 IonicContact ND1-OD1 3.61Å; H250-D268 PolarHBondContact ND1-OD1 3.33Å; H250-D268 IonicContact ND1-OD2 3.72Å
251	F	92.1	Very high	85.6	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.8	175.7	-74.2	-91.9	0	0	0	110.9	A208 N209 Q210 I249 T266 I267 I269 T406 F411	A208-F251 HydrophobicContact CB-CB 4.25Å; A208-F251 HydrophobicContact CB-CD1 4.21Å; N209-F251 VanDerWaalsContact C-CD1 3.41Å; N209-F251 WeakPolarHBondContact O-CA 3.2Å; Q210-F251 HydrophobicContact CB-CD1 4.03Å; Q210-F251 HydrophobicContact CB-CE1 3.55Å; Q210-F251 HydrophobicContact CB-CZ 3.92Å; Q210-F251 HydrophobicContact CG-CE1 4.22Å; Q210-F251 HydrophobicContact CG-CZ 4.12Å; Q210-F251 VanDerWaalsContact N-CD1 3.33Å; I249-F251 HydrophobicContact CB-CE2 4.22Å; I249-F251 HydrophobicContact CG2-CD2 3.98Å; I249-F251 HydrophobicContact CG2-CE2 3.29Å; I249-F251 HydrophobicContact CG2-CZ 3.97Å; F251-T266 CarbonylContact O-C 3.43Å; F251-T266 VanDerWaalsContact O-CA 3.25Å; F251-T266 WeakPolarHBondContact O-CA 3.44Å; F251-I267 HydrophobicContact CB-CB 4.28Å; F251-I267 PolarHBondContact N-O 3.1Å; F251-I267 PolarHBondContact O-N 2.93Å; F251-I269 HydrophobicContact CD2-CD1 4.02Å; F251-I269 HydrophobicContact CE2-CD1 4.02Å; F251-T406 HydrophobicContact CE2-CG2 4.01Å; F251-T406 HydrophobicContact CZ-CG2 4.19Å; F251-F411 HydrophobicContact CD1-CD1 4.13Å; F251-F411 AromaticContact CD1-CE1 3.53Å; F251-F411 HydrophobicContact CD1-CE1 3.53Å; F251-F411 HydrophobicContact CD1-CZ 4.41Å; F251-F411 AromaticContact CD2-CE1 3.93Å; F251-F411 HydrophobicContact CD2-CE1 3.93Å; F251-F411 AromaticContact CE1-CD1 3.86Å; F251-F411 HydrophobicContact CE1-CD1 3.86Å; F251-F411 AromaticContact CE1-CE1 3.56Å; F251-F411 HydrophobicContact CE1-CE1 3.56Å; F251-F411 AromaticContact CE2-CE1 3.92Å; F251-F411 HydrophobicContact CE2-CE1 3.92Å; F251-F411 AromaticContact CG-CE1 3.75Å; F251-F411 HydrophobicContact CG-CE1 3.75Å; F251-F411 HydrophobicContact CG-CZ 4.32Å; F251-F411 HydrophobicContact CZ-CD1 4.22Å; F251-F411 AromaticContact CZ-CE1 3.79Å; F251-F411 HydrophobicContact CZ-CE1 3.79Å
252	E	91.3	Very high	86.1	Confident	68 Å²	68	40.9 Å²	40.9	32%	0.318	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.4	172.6	-172.9	177.3	176.8	0	0	109.6	N209 V211 H255 T266	N209-E252 PolarHBondContact N-O 2.87Å; N209-E252 PolarHBondContact O-N 2.77Å; V211-E252 HydrophobicContact CG2-CB 4.13Å; E252-H255 IonicContact OE1-CE1 3.96Å; E252-T266 HydrophobicContact CB-CG2 4.49Å; E252-T266 HydrophobicContact CG-CG2 4.2Å
253	T	91	Very high	86.5	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	155.4	172.5	68.8	0	0	0	0	111.4	L206 Q207 A208 L265 I413	L206-T253 HydrophobicContact CB-CG2 4.03Å; L206-T253 HydrophobicContact CD1-CG2 4.06Å; Q207-T253 WeakPolarHBondContact O-CA 3.49Å; A208-T253 HydrophobicContact CB-CG2 4.25Å; T253-L265 HydrophobicContact CG2-CB 3.88Å; T253-L265 HydrophobicContact CG2-CD2 3.88Å; T253-L265 HydrophobicContact CG2-CG 4.47Å; T253-L265 PolarHBondContact N-O 3.11Å; T253-L265 PolarHBondContact OG1-N 3.27Å; T253-L265 PolarHBondContact OG1-O 3.17Å; T253-I413 HydrophobicContact CG2-CD1 3.8Å
254	D	85.8	Confident	86.9	Confident	54 Å²	54	35.2 Å²	35.2	29%	0.289	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-57.1	150.5	163.6	-66.3	-26.6	0	0	0	111.1	T129 Q207	T129-D254 WeakPolarHBondContact CB-OD2 3.41Å; T129-D254 VanDerWaalsContact CG2-OD2 3.3Å; T129-D254 WeakPolarHBondContact CG2-OD2 3.44Å; T129-D254 PolarHBondContact OG1-OD2 2.9Å; Q207-D254 PolarHBondContact O-N 2.83Å
255	H	87.1	Confident	87.4	Confident	99 Å²	99	31.2 Å²	31.2	46%	0.458	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-68	134.7	178.5	-71.1	57.4	0	0	0	110.2	E252 T262 W263	E252-H255 IonicContact OE1-CE1 3.96Å; H255-T262 HydrophobicContact CB-CG2 3.77Å; H255-W263 CarbonylContact C-O 3.59Å; H255-W263 WeakPolarHBondContact CA-O 3.47Å
256	F	89	Confident	87.8	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.6	-178.4	67.8	-88.5	0	0	0	112.1	I204 L206 T262 W263 L297 L415	I204-F256 HydrophobicContact CD1-CD2 3.81Å; I204-F256 HydrophobicContact CD1-CE2 3.77Å; I204-F256 HydrophobicContact CG2-CD2 4.24Å; I204-F256 HydrophobicContact CG2-CG 4.49Å; L206-F256 HydrophobicContact CD1-CD1 3.65Å; L206-F256 HydrophobicContact CD1-CE1 3.55Å; L206-F256 HydrophobicContact CD1-CG 4.41Å; L206-F256 HydrophobicContact CD1-CZ 4.25Å; L206-F256 HydrophobicContact CD2-CB 3.77Å; L206-F256 HydrophobicContact CD2-CD1 3.67Å; L206-F256 HydrophobicContact CD2-CE1 4.41Å; L206-F256 HydrophobicContact CD2-CG 3.8Å; L206-F256 HydrophobicContact CG-CD1 4.33Å; F256-T262 CarbonylContact O-C 3.53Å; F256-T262 WeakPolarHBondContact O-CA 3.25Å; F256-W263 HydrophobicContact CD1-CB 4.04Å; F256-W263 WeakPolarHBondContact CD1-O 3.33Å; F256-W263 HydrophobicContact CD2-CB 4.02Å; F256-W263 HydrophobicContact CE1-CB 3.64Å; F256-W263 HydrophobicContact CE2-CB 3.63Å; F256-W263 HydrophobicContact CE2-CG 4.09Å; F256-W263 HydrophobicContact CG-CB 4.23Å; F256-W263 HydrophobicContact CZ-CB 3.44Å; F256-W263 VanDerWaalsContact CZ-CB 3.44Å; F256-W263 HydrophobicContact CZ-CG 4.21Å; F256-W263 PolarHBondContact N-O 3.2Å; F256-W263 PolarHBondContact O-N 3.36Å; F256-L297 HydrophobicContact CE1-CD1 4.13Å; F256-L297 HydrophobicContact CZ-CD1 3.9Å; F256-L415 HydrophobicContact CE1-CD1 4.3Å; F256-L415 HydrophobicContact CZ-CD1 3.92Å
257	S	86	Confident	88.4	Confident	40 Å²	40	28.6 Å²	28.6	28%	0.28	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131	-178.9	64.1	0	0	0	0	112.7	K132 D261	K132-S257 PolarHBondContact NZ-O 2.86Å; S257-D261 WeakPolarHBondContact CA-O 3.42Å
258	Y	89.2	Confident	88.9	Confident	10 Å²	10	27.5 Å²	27.5	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	134.6	175.6	-177.7	-99.8	0	0	0	110.8	E77 H78 V202 I204 G260 D261 W263 L324 M417 Y420	E77-Y258 HydrophobicContact CB-CE1 4.44Å; E77-Y258 HydrophobicContact CB-CE2 4.3Å; E77-Y258 HydrophobicContact CG-CE1 4.45Å; H78-Y258 AromaticContact CE1-CD2 3.96Å; H78-Y258 AromaticContact CE1-CE2 3.8Å; H78-Y258 AromaticContact NE2-CD2 3.97Å; V202-Y258 HydrophobicContact CG1-CE2 4.11Å; I204-Y258 HydrophobicContact CD1-CD2 4.09Å; Y258-G260 PolarHBondContact O-N 2.87Å; Y258-G260 VanDerWaalsContact O-N 3.15Å; Y258-D261 PolarHBondContact N-O 3.4Å; Y258-D261 PolarHBondContact O-N 2.89Å; Y258-D261 VanDerWaalsContact O-N 3.08Å; Y258-W263 PolarHBondContact O-NE1 3.38Å; Y258-L324 HydrophobicContact CE1-CD1 3.95Å; Y258-M417 HydrophobicContact CD1-CE 3.37Å; Y258-M417 HydrophobicContact CD2-CE 3.94Å; Y258-M417 HydrophobicContact CD2-CG 4.26Å; Y258-M417 HydrophobicContact CE1-CE 3.37Å; Y258-M417 HydrophobicContact CE2-CB 3.91Å; Y258-M417 HydrophobicContact CE2-CE 3.94Å; Y258-M417 HydrophobicContact CE2-CG 3.9Å; Y258-M417 HydrophobicContact CG-CE 3.66Å; Y258-Y420 HydrophobicContact CD1-CD2 4.26Å; Y258-Y420 HydrophobicContact CD1-CE2 4.47Å; Y258-Y420 AromaticContact CE1-CD2 3.65Å; Y258-Y420 HydrophobicContact CE1-CD2 3.65Å; Y258-Y420 HydrophobicContact CE1-CE2 4.27Å; Y258-Y420 AromaticContact CE1-CG 3.96Å; Y258-Y420 HydrophobicContact CE1-CG 3.96Å
259	A	86.1	Confident	89.2	Confident	4 Å²	4	24.4 Å²	24.4	3%	0.033	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	23.2	-178.9	0	0	0	0	0	116	E77 D261 Y420 R422	E77-A259 HydrophobicContact CB-CB 3.75Å; E77-A259 HydrophobicContact CG-CB 4.05Å; E77-A259 WeakPolarHBondContact O-CA 3.27Å; A259-D261 VanDerWaalsContact C-N 3.32Å; A259-Y420 HydrophobicContact CB-CD1 3.97Å; A259-Y420 HydrophobicContact CB-CD2 4.26Å; A259-Y420 HydrophobicContact CB-CE1 3.43Å; A259-Y420 VanDerWaalsContact CB-CE1 3.43Å; A259-Y420 HydrophobicContact CB-CE2 3.77Å; A259-Y420 HydrophobicContact CB-CG 4.34Å; A259-R422 PolarHBondContact O-NH2 2.74Å
260	G	81.6	Confident	89.2	Confident	79 Å²	79	26.9 Å²	26.9	81%	0.814	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-3.7	-177.5	0	0	0	0	0	114.8	Y258	Y258-G260 PolarHBondContact O-N 2.87Å; Y258-G260 VanDerWaalsContact O-N 3.15Å
261	D	85.6	Confident	89.1	Confident	15 Å²	15	26.6 Å²	26.6	8%	0.08	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	161.4	175.2	-70.4	-53.6	0	0	0	110.9	S257 Y258 A259 W263 K299 S301	S257-D261 WeakPolarHBondContact CA-O 3.42Å; Y258-D261 PolarHBondContact N-O 3.4Å; Y258-D261 PolarHBondContact O-N 2.89Å; Y258-D261 VanDerWaalsContact O-N 3.08Å; A259-D261 VanDerWaalsContact C-N 3.32Å; D261-W263 VanDerWaalsContact O-CD1 3.24Å; D261-K299 HydrophobicContact CB-CD 3.79Å; D261-K299 HydrophobicContact CB-CG 3.7Å; D261-K299 IonicContact OD1-NZ 3.31Å; D261-K299 VanDerWaalsContact OD2-CD 3.27Å; D261-K299 WeakPolarHBondContact OD2-CD 3.31Å; D261-K299 VanDerWaalsContact OD2-CE 3.25Å; D261-K299 WeakPolarHBondContact OD2-CE 3.31Å; D261-K299 IonicContact OD2-NZ 2.73Å; D261-K299 PolarHBondContact OD2-NZ 3.46Å; D261-S301 WeakPolarHBondContact OD1-CA 3.33Å; D261-S301 VanDerWaalsContact OD1-CB 3.31Å; D261-S301 WeakPolarHBondContact OD1-CB 3.45Å; D261-S301 PolarHBondContact OD1-OG 3.19Å
262	T	88.8	Confident	88.7	Confident	39 Å²	39	27.7 Å²	27.7	24%	0.239	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.1	173.8	-56.8	0	0	0	0	109.8	H255 F256 T300	H255-T262 HydrophobicContact CB-CG2 3.77Å; F256-T262 CarbonylContact O-C 3.53Å; F256-T262 WeakPolarHBondContact O-CA 3.25Å; T262-T300 WeakPolarHBondContact CB-OG1 3.28Å; T262-T300 PolarHBondContact N-O 3.09Å; T262-T300 PolarHBondContact O-N 2.91Å; T262-T300 PolarHBondContact O-OG1 3.37Å
263	W	91.4	Very high	87.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.5	-170.3	-63.1	82.9	0	0	0	111	H255 F256 Y258 D261 L297 T298 K299 T322 L324 I343 Y420	H255-W263 CarbonylContact C-O 3.59Å; H255-W263 WeakPolarHBondContact CA-O 3.47Å; F256-W263 HydrophobicContact CD1-CB 4.04Å; F256-W263 WeakPolarHBondContact CD1-O 3.33Å; F256-W263 HydrophobicContact CD2-CB 4.02Å; F256-W263 HydrophobicContact CE1-CB 3.64Å; F256-W263 HydrophobicContact CE2-CB 3.63Å; F256-W263 HydrophobicContact CE2-CG 4.09Å; F256-W263 HydrophobicContact CG-CB 4.23Å; F256-W263 HydrophobicContact CZ-CB 3.44Å; F256-W263 VanDerWaalsContact CZ-CB 3.44Å; F256-W263 HydrophobicContact CZ-CG 4.21Å; F256-W263 PolarHBondContact N-O 3.2Å; F256-W263 PolarHBondContact O-N 3.36Å; Y258-W263 PolarHBondContact O-NE1 3.38Å; D261-W263 VanDerWaalsContact O-CD1 3.24Å; W263-L297 HydrophobicContact CD2-CD2 4.45Å; W263-L297 HydrophobicContact CE3-CD1 4.27Å; W263-L297 HydrophobicContact CE3-CD2 3.46Å; W263-L297 VanDerWaalsContact CE3-CD2 3.46Å; W263-L297 HydrophobicContact CE3-CG 3.61Å; W263-L297 HydrophobicContact CZ3-CD2 3.48Å; W263-L297 VanDerWaalsContact CZ3-CD2 3.48Å; W263-L297 HydrophobicContact CZ3-CG 3.93Å; W263-T298 VanDerWaalsContact CA-O 3.28Å; W263-T298 WeakPolarHBondContact CA-O 2.87Å; W263-K299 HydrophobicContact CD2-CB 4.19Å; W263-K299 HydrophobicContact CD2-CG 4.03Å; W263-K299 HydrophobicContact CE3-CB 3.85Å; W263-K299 HydrophobicContact CE3-CG 4.17Å; W263-K299 HydrophobicContact CH2-CB 4.03Å; W263-K299 HydrophobicContact CH2-CD 3.61Å; W263-K299 HydrophobicContact CH2-CG 3.99Å; W263-K299 HydrophobicContact CZ2-CB 4.28Å; W263-K299 HydrophobicContact CZ2-CD 3.37Å; W263-K299 HydrophobicContact CZ2-CG 3.74Å; W263-K299 HydrophobicContact CZ3-CB 3.82Å; W263-K299 HydrophobicContact CZ3-CD 4.28Å; W263-K299 HydrophobicContact CZ3-CG 4.2Å; W263-T322 HydrophobicContact CH2-CG2 3.91Å; W263-T322 HydrophobicContact CZ2-CG2 4.32Å; W263-L324 HydrophobicContact CZ3-CD2 4.33Å; W263-I343 HydrophobicContact CE3-CD1 4.45Å; W263-I343 HydrophobicContact CH2-CD1 3.91Å; W263-I343 HydrophobicContact CZ3-CD1 3.37Å; W263-Y420 HydrophobicContact CH2-CE2 4.36Å; W263-Y420 AromaticContact CZ2-CE2 3.88Å; W263-Y420 HydrophobicContact CZ2-CE2 3.88Å
264	A	90.5	Very high	86.9	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.2	169.5	0	0	0	0	0	109.5	T298	A264-T298 PolarHBondContact N-O 3.18Å; A264-T298 PolarHBondContact O-N 3.37Å; A264-T298 PolarHBondContact O-OG1 3.24Å
265	L	93.1	Very high	85.7	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.5	179	-178	152.5	0	0	0	109.2	T253 I267 I295 C296 L297 I413 L415	T253-L265 HydrophobicContact CG2-CB 3.88Å; T253-L265 HydrophobicContact CG2-CD2 3.88Å; T253-L265 HydrophobicContact CG2-CG 4.47Å; T253-L265 PolarHBondContact N-O 3.11Å; T253-L265 PolarHBondContact OG1-N 3.27Å; T253-L265 PolarHBondContact OG1-O 3.17Å; L265-I267 HydrophobicContact CD2-CD1 3.74Å; L265-I267 HydrophobicContact CD2-CG1 3.32Å; L265-I295 HydrophobicContact CD1-CG2 3.97Å; L265-I295 HydrophobicContact CD2-CG2 4.16Å; L265-I295 HydrophobicContact CG-CG2 3.96Å; L265-C296 WeakPolarHBondContact CA-O 3.49Å; L265-L297 HydrophobicContact CB-CD1 3.87Å; L265-L297 HydrophobicContact CD1-CD1 4.35Å; L265-L297 HydrophobicContact CG-CD1 4.43Å; L265-I413 HydrophobicContact CD2-CD1 4.07Å; L265-L415 HydrophobicContact CD1-CD1 3.77Å; L265-L415 HydrophobicContact CD1-CD2 3.71Å; L265-L415 HydrophobicContact CD1-CG 4.22Å
266	T	92	Very high	84.1	Confident	21 Å²	21	31.6 Å²	31.6	13%	0.129	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.9	172.3	64.5	0	0	0	0	110.3	F251 E252 I295 C296	F251-T266 CarbonylContact O-C 3.43Å; F251-T266 VanDerWaalsContact O-CA 3.25Å; F251-T266 WeakPolarHBondContact O-CA 3.44Å; E252-T266 HydrophobicContact CB-CG2 4.49Å; E252-T266 HydrophobicContact CG-CG2 4.2Å; T266-I295 WeakPolarHBondContact O-CA 3.27Å; T266-C296 PolarHBondContact N-O 2.92Å; T266-C296 PolarHBondContact O-N 3.09Å; T266-C296 WeakPolarHBondContact OG1-CB 3.45Å
267	I	92.8	Very high	82.2	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.8	177.2	-51.5	-171.4	0	0	0	108.8	F251 L265 I269 V293 E294 I295 L330 F411 I413	F251-I267 HydrophobicContact CB-CB 4.28Å; F251-I267 PolarHBondContact N-O 3.1Å; F251-I267 PolarHBondContact O-N 2.93Å; L265-I267 HydrophobicContact CD2-CD1 3.74Å; L265-I267 HydrophobicContact CD2-CG1 3.32Å; I267-I269 HydrophobicContact CG2-CD1 4.26Å; I267-I269 HydrophobicContact CG2-CG1 3.8Å; I267-V293 HydrophobicContact CG2-CG1 3.53Å; I267-E294 WeakPolarHBondContact CA-O 3.37Å; I267-I295 HydrophobicContact CG1-CG1 4.32Å; I267-I295 HydrophobicContact CG2-CG1 4.36Å; I267-L330 HydrophobicContact CD1-CD2 3.83Å; I267-F411 HydrophobicContact CD1-CZ 4.27Å; I267-I413 HydrophobicContact CD1-CD1 3.41Å; I267-I413 VanDerWaalsContact CD1-CD1 3.41Å; I267-I413 HydrophobicContact CD1-CG1 4.24Å; I267-I413 HydrophobicContact CG1-CD1 4.39Å
268	D	90.7	Very high	80.2	Confident	47 Å²	47	37.6 Å²	37.6	25%	0.251	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128	169.7	-65.4	-56	0	0	0	109.2	H250 V293 E294	H250-D268 IonicContact CE1-OD1 3.38Å; H250-D268 IonicContact CG-OD1 3.81Å; H250-D268 IonicContact ND1-OD1 3.61Å; H250-D268 PolarHBondContact ND1-OD1 3.33Å; H250-D268 IonicContact ND1-OD2 3.72Å; D268-V293 CarbonylContact O-C 3.56Å; D268-V293 WeakPolarHBondContact O-CA 3.42Å; D268-E294 HydrophobicContact CB-CB 4.26Å; D268-E294 PolarHBondContact N-O 2.96Å; D268-E294 PolarHBondContact O-N 3.37Å
269	I	90.2	Very high	78.2	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.5	-177.1	-52.5	170.9	0	0	0	108.8	T248 I249 F251 I267 A291 D292 V293 F402 L403 T406	T248-I269 CarbonylContact C-O 3.49Å; T248-I269 WeakPolarHBondContact CA-O 3.48Å; I249-I269 HydrophobicContact CB-CB 4.35Å; I249-I269 PolarHBondContact N-O 3.32Å; I249-I269 PolarHBondContact O-N 3.48Å; F251-I269 HydrophobicContact CD2-CD1 4.02Å; F251-I269 HydrophobicContact CE2-CD1 4.02Å; I267-I269 HydrophobicContact CG2-CD1 4.26Å; I267-I269 HydrophobicContact CG2-CG1 3.8Å; I269-A291 HydrophobicContact CG2-CB 4.24Å; I269-D292 CarbonylContact C-O 3.48Å; I269-D292 WeakPolarHBondContact CA-O 3.48Å; I269-V293 HydrophobicContact CG1-CG2 4.45Å; I269-V293 HydrophobicContact CG2-CG2 4.47Å; I269-F402 HydrophobicContact CD1-CE1 3.75Å; I269-F402 HydrophobicContact CD1-CZ 3.52Å; I269-F402 HydrophobicContact CG1-CE1 4.23Å; I269-F402 HydrophobicContact CG1-CZ 4.25Å; I269-F402 HydrophobicContact CG2-CE1 4.35Å; I269-L403 HydrophobicContact CG2-CD2 4.01Å; I269-T406 HydrophobicContact CD1-CG2 3.77Å
270	E	88.3	Confident	76.1	Confident	58 Å²	58	50.2 Å²	50.2	27%	0.271	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	97	173.7	-177.5	168.7	-173.1	0	0	108.8	D292	E270-D292 HydrophobicContact CB-CB 4.31Å; E270-D292 PolarHBondContact N-O 2.88Å; E270-D292 PolarHBondContact O-N 3Å
271	P	87.7	Confident	74	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.071	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.1	177.2	30.6	-32.9	0	0	0	111.3	V233 F245 P246 L403	V233-P271 HydrophobicContact CB-CB 4.24Å; V233-P271 HydrophobicContact CG2-CB 3.89Å; F245-P271 HydrophobicContact CB-CG 3.96Å; P246-P271 WeakPolarHBondContact O-CG 3.39Å; P271-L403 HydrophobicContact CB-CD1 4.03Å; P271-L403 HydrophobicContact CB-CD2 3.95Å
272	Y	83.6	Confident	71.8	Confident	24 Å²	24	62.5 Å²	62.5	9%	0.094	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	167.6	176.1	67.2	-86.1	0	0	0	112.3	H228 D274 C290 D292 T356	H228-Y272 HydrophobicContact CB-CD2 4.03Å; H228-Y272 HydrophobicContact CB-CG 4.21Å; H228-Y272 AromaticContact CE1-CE2 3.85Å; H228-Y272 AromaticContact CG-CD2 3.7Å; H228-Y272 AromaticContact ND1-CD2 3.64Å; H228-Y272 AromaticContact ND1-CE2 3.64Å; Y272-D274 HydrophobicContact CE2-CB 4.25Å; Y272-C290 HydrophobicContact CD1-CB 4.27Å; Y272-C290 HydrophobicContact CD2-CB 4.12Å; Y272-C290 HydrophobicContact CE1-CB 3.74Å; Y272-C290 HydrophobicContact CE2-CB 3.56Å; Y272-C290 HydrophobicContact CG-CB 4.44Å; Y272-C290 PolarHBondContact N-O 3.31Å; Y272-C290 PolarHBondContact O-N 2.85Å; Y272-C290 VanDerWaalsContact O-O 3.09Å; Y272-D292 HydrophobicContact CE1-CB 4.27Å; Y272-T356 WeakPolarHBondContact OH-CG2 3.45Å
273	R	76.4	Confident	69.3	Low	81 Å²	81	65.5 Å²	65.5	31%	0.306	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.7	171.4	-68.2	-175.1	178.6	-170.2	-0.1	109.9	V233 V234 V275 H287	V233-R273 HydrophobicContact CG2-CG 4.34Å; V234-R273 PolarHBondContact O-NH2 3.42Å; R273-V275 PolarHBondContact O-N 2.58Å; R273-H287 HydrophobicContact CG-CB 4.44Å
274	D	70.1	Confident	66.9	Low	21 Å²	21	72.6 Å²	72.6	11%	0.112	38%	0.376	C	S	.	.			trans	-82.8	104.9	175.8	-167.5	-0.9	0	0	0	110.2	Y272 L276 K277 D288	Y272-D274 HydrophobicContact CE2-CB 4.25Å; D274-L276 PolarHBondContact OD1-N 2.71Å; D274-K277 WeakPolarHBondContact OD2-CD 3.49Å; D274-K277 VanDerWaalsContact OD2-CE 3.3Å; D274-K277 WeakPolarHBondContact OD2-CE 3.31Å; D274-K277 IonicContact OD2-NZ 3.04Å; D274-D288 PolarHBondContact N-O 3.44Å
275	V	60.1	Low	64.5	Low	74 Å²	74	79.5 Å²	79.5	45%	0.448	41%	0.413	S	S	.	.			trans	-85.2	-23.8	-179.7	-175.7	0	0	0	0	111.3	N229 R273 K277 N278	N229-V275 HydrophobicContact CB-CG2 4.43Å; R273-V275 PolarHBondContact O-N 2.58Å; V275-K277 VanDerWaalsContact C-N 3.29Å; V275-K277 PolarHBondContact O-N 2.83Å; V275-N278 PolarHBondContact O-N 2.68Å
276	L	53.4	Low	62.3	Low	130 Å²	130	85.2 Å²	85.2	68%	0.681	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-71.9	-22.6	-171	-77.6	164.5	0	0	0	113.1	D274 N278	D274-L276 PolarHBondContact OD1-N 2.71Å; L276-N278 VanDerWaalsContact C-N 3.33Å
277	K	49.2	Very low	60.4	Low	97 Å²	97	87.5 Å²	87.5	42%	0.422	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-76.9	-14.8	176.5	-70.6	179	-178.1	173.8	0	113.8	D274 V275 L279 D358	D274-K277 WeakPolarHBondContact OD2-CD 3.49Å; D274-K277 VanDerWaalsContact OD2-CE 3.3Å; D274-K277 WeakPolarHBondContact OD2-CE 3.31Å; D274-K277 IonicContact OD2-NZ 3.04Å; V275-K277 VanDerWaalsContact C-N 3.29Å; V275-K277 PolarHBondContact O-N 2.83Å; K277-L279 PolarHBondContact O-N 2.84Å; K277-D358 IonicContact NZ-OD2 3.35Å; K277-D358 PolarHBondContact NZ-OD2 2.77Å
278	N	42.6	Very low	59.4	Low	71 Å²	71	87.7 Å²	87.7	38%	0.38	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-93.3	20.7	-176.4	-73.9	6	0	0	0	114.8	V275 L276 N280	V275-N278 PolarHBondContact O-N 2.68Å; L276-N278 VanDerWaalsContact C-N 3.33Å; N278-N280 PolarHBondContact O-N 3.25Å
279	L	48.4	Very low	59	Low	129 Å²	129	85.9 Å²	85.9	68%	0.675	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-73.1	-5.5	171.9	-81.8	164.9	0	0	0	113.7	K277 F281	K277-L279 PolarHBondContact O-N 2.84Å; L279-F281 PolarHBondContact O-N 3.43Å
280	N	42	Very low	58.7	Low	150 Å²	150	85.9 Å²	85.9	80%	0.802	44%	0.444	S	S	*	.	S	Bend	trans	-89.8	103.3	167.3	-73.9	-11.8	0	0	0	109	N278 D282	N278-N280 PolarHBondContact O-N 3.25Å; N280-D282 PolarHBondContact O-N 2.83Å
281	F	37.7	Very low	58.6	Low	194 Å²	194	83.1 Å²	83.1	85%	0.851	43%	0.431	S	S	*	.			trans	-57.8	102.2	170.4	-71.2	-96.3	0	0	0	109.7	L279	L279-F281 PolarHBondContact O-N 3.43Å
282	D	38.2	Very low	58.6	Low	159 Å²	159	84.7 Å²	84.7	85%	0.85	44%	0.439	S	S	*	.			trans	-163	145.1	140.3	-97.6	-28.1	0	0	0	110.4	N280 D284	N280-D282 PolarHBondContact O-N 2.83Å; D282-D284 PolarHBondContact O-N 3.36Å
283	S	37	Very low	58.9	Low	102 Å²	102	83.7 Å²	83.7	71%	0.713	44%	0.435	S	S	*	.	S	Bend	trans	-50.8	109.8	-169.1	52.3	0	0	0	0	115.3
284	D	40.2	Very low	59.7	Low	149 Å²	149	82.3 Å²	82.3	80%	0.797	43%	0.432	S	S	*	.				178.1	136.5	121.1	-92.7	-26.2	0	0	0	109	D282 N286	D282-D284 PolarHBondContact O-N 3.36Å; D284-N286 PolarHBondContact O-N 3.4Å
285	N	40.7	Very low	60.8	Low	147 Å²	147	81.3 Å²	81.3	79%	0.786	43%	0.427	S	S	*	.			trans	-67.1	33.9	-167	-80.3	-40.5	0	0	0	116.5	H287	N285-H287 VanDerWaalsContact C-N 3.27Å; N285-H287 PolarHBondContact O-N 2.94Å
286	N	47	Very low	62.3	Low	121 Å²	121	78.8 Å²	78.8	65%	0.647	41%	0.412	S	S	*	.			trans	-77.5	84.2	168.7	-86.9	1.8	0	0	0	109.1	D284 D288	D284-N286 PolarHBondContact O-N 3.4Å; N286-D288 PolarHBondContact O-N 3.44Å; N286-D288 VanDerWaalsContact O-N 3.16Å
287	H	52.2	Low	64.2	Low	69 Å²	69	72.7 Å²	72.7	32%	0.319	38%	0.38	S	S	.	.			trans	-61.4	112	158.4	-66.9	-62.4	0	0	0	107.7	R273 N285 V289	R273-H287 HydrophobicContact CG-CB 4.44Å; N285-H287 VanDerWaalsContact C-N 3.27Å; N285-H287 PolarHBondContact O-N 2.94Å; H287-V289 PolarHBondContact O-N 3.44Å
288	D	72.6	Confident	66.1	Low	5 Å²	5	69 Å²	69	3%	0.027	37%	0.366	C	S	.	.			trans	-57.7	108.3	175.6	-81.4	-7.6	0	0	0	108.9	D274 N286 Q360	D274-D288 PolarHBondContact N-O 3.44Å; N286-D288 PolarHBondContact O-N 3.44Å; N286-D288 VanDerWaalsContact O-N 3.16Å; D288-Q360 PolarHBondContact OD1-NE2 2.89Å; D288-Q360 WeakPolarHBondContact OD2-CG 3.43Å; D288-Q360 PolarHBondContact OD2-NE2 3.46Å
289	V	81	Confident	68.3	Low	9 Å²	9	66.8 Å²	66.8	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.6	176.5	176.1	0	0	0	0	107.7	V233 L235 H287 A399 V400 L403	V233-V289 HydrophobicContact CG1-CG1 3.83Å; V233-V289 HydrophobicContact CG1-CG2 4.36Å; L235-V289 HydrophobicContact CD2-CG2 4.05Å; H287-V289 PolarHBondContact O-N 3.44Å; V289-A399 WeakPolarHBondContact O-CB 3.39Å; V289-V400 HydrophobicContact CB-CG2 3.86Å; V289-V400 HydrophobicContact CG1-CG2 4.2Å; V289-V400 HydrophobicContact CG2-CG2 4.21Å; V289-L403 HydrophobicContact CG1-CD1 3.65Å
290	C	84.1	Confident	69.9	Low	2 Å²	2	64.1 Å²	64.1	1%	0.014	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.6	179.3	-63.4	0	0	0	0	110.1	Y272 F357	Y272-C290 HydrophobicContact CD1-CB 4.27Å; Y272-C290 HydrophobicContact CD2-CB 4.12Å; Y272-C290 HydrophobicContact CE1-CB 3.74Å; Y272-C290 HydrophobicContact CE2-CB 3.56Å; Y272-C290 HydrophobicContact CG-CB 4.44Å; Y272-C290 PolarHBondContact N-O 3.31Å; Y272-C290 PolarHBondContact O-N 2.85Å; Y272-C290 VanDerWaalsContact O-O 3.09Å; C290-F357 WeakPolarHBondContact CA-O 3.42Å
291	A	86.1	Confident	71.2	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.1	173.7	0	0	0	0	0	109.8	I269 T356 F357 L403	I269-A291 HydrophobicContact CG2-CB 4.24Å; A291-T356 WeakPolarHBondContact O-CA 2.97Å; A291-F357 PolarHBondContact N-O 3.47Å; A291-F357 VanDerWaalsContact N-O 3.07Å; A291-F357 PolarHBondContact O-N 3.12Å; A291-L403 HydrophobicContact CB-CD2 4.31Å; A291-L403 HydrophobicContact CB-CG 4.47Å
292	D	87.9	Confident	72.2	Confident	45 Å²	45	58 Å²	58	24%	0.241	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.9	166.6	-80.8	-18.2	0	0	0	108.9	I269 E270 Y272 T356	I269-D292 CarbonylContact C-O 3.48Å; I269-D292 WeakPolarHBondContact CA-O 3.48Å; E270-D292 HydrophobicContact CB-CB 4.31Å; E270-D292 PolarHBondContact N-O 2.88Å; E270-D292 PolarHBondContact O-N 3Å; Y272-D292 HydrophobicContact CE1-CB 4.27Å; D292-T356 VanDerWaalsContact OD1-CB 3.28Å; D292-T356 WeakPolarHBondContact OD1-CB 3.05Å; D292-T356 WeakPolarHBondContact OD1-CG2 3.31Å; D292-T356 PolarHBondContact OD1-OG1 3.15Å
293	V	90.2	Very high	72.8	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123	-174.7	-176.3	0	0	0	0	109.7	I267 D268 I269 I295 C354 C355 F357 F402	I267-V293 HydrophobicContact CG2-CG1 3.53Å; D268-V293 CarbonylContact O-C 3.56Å; D268-V293 WeakPolarHBondContact O-CA 3.42Å; I269-V293 HydrophobicContact CG1-CG2 4.45Å; I269-V293 HydrophobicContact CG2-CG2 4.47Å; V293-I295 HydrophobicContact CG1-CD1 4.2Å; V293-I295 HydrophobicContact CG1-CG1 3.88Å; V293-C354 CarbonylContact O-C 3.53Å; V293-C354 VanDerWaalsContact O-CA 3.31Å; V293-C354 WeakPolarHBondContact O-CA 3.37Å; V293-C355 PolarHBondContact N-O 3.32Å; V293-C355 PolarHBondContact O-N 3.26Å; V293-F357 HydrophobicContact CB-CE2 4.16Å; V293-F357 HydrophobicContact CG2-CD2 3.7Å; V293-F357 HydrophobicContact CG2-CE2 3.66Å; V293-F402 HydrophobicContact CG2-CE1 3.81Å
294	E	92.2	Very high	73.3	Confident	52 Å²	52	57.2 Å²	57.2	24%	0.243	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.2	174.4	-174.3	173.2	151.2	0	0	109.2	R224 I267 D268 A352 H353	R224-E294 IonicContact NH1-OE2 2.98Å; R224-E294 IonicContact NH2-OE2 2.8Å; R224-E294 PolarHBondContact NH2-OE2 3.42Å; R224-E294 VanDerWaalsContact NH2-OE2 3.17Å; I267-E294 WeakPolarHBondContact CA-O 3.37Å; D268-E294 HydrophobicContact CB-CB 4.26Å; D268-E294 PolarHBondContact N-O 2.96Å; D268-E294 PolarHBondContact O-N 3.37Å; E294-A352 HydrophobicContact CG-CB 3.44Å; E294-A352 VanDerWaalsContact CG-CB 3.44Å; E294-A352 VanDerWaalsContact OE1-CB 3.3Å; E294-A352 WeakPolarHBondContact OE1-CB 3.49Å; E294-H353 CarbonylContact C-O 3.59Å; E294-H353 WeakPolarHBondContact CA-O 3.25Å
295	I	93.2	Very high	73.2	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.6	-176.4	-57.5	178.9	0	0	0	109.3	L265 T266 I267 V293 T336 M339 F341 H353	L265-I295 HydrophobicContact CD1-CG2 3.97Å; L265-I295 HydrophobicContact CD2-CG2 4.16Å; L265-I295 HydrophobicContact CG-CG2 3.96Å; T266-I295 WeakPolarHBondContact O-CA 3.27Å; I267-I295 HydrophobicContact CG1-CG1 4.32Å; I267-I295 HydrophobicContact CG2-CG1 4.36Å; V293-I295 HydrophobicContact CG1-CD1 4.2Å; V293-I295 HydrophobicContact CG1-CG1 3.88Å; I295-T336 HydrophobicContact CD1-CG2 3.45Å; I295-T336 VanDerWaalsContact CD1-CG2 3.45Å; I295-M339 HydrophobicContact CB-SD 4.23Å; I295-M339 HydrophobicContact CD1-SD 3.88Å; I295-M339 HydrophobicContact CG2-SD 4.02Å; I295-F341 HydrophobicContact CG2-CZ 4.42Å; I295-H353 PolarHBondContact N-O 3.17Å; I295-H353 PolarHBondContact O-N 3.1Å
296	C	92.2	Very high	73.3	Confident	21 Å²	21	53.1 Å²	53.1	14%	0.142	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.2	171.5	-72.7	0	0	0	0	110.5	L265 T266 P349 A352	L265-C296 WeakPolarHBondContact CA-O 3.49Å; T266-C296 PolarHBondContact N-O 2.92Å; T266-C296 PolarHBondContact O-N 3.09Å; T266-C296 WeakPolarHBondContact OG1-CB 3.45Å; C296-P349 HydrophobicContact CB-CG 4.37Å; C296-A352 WeakPolarHBondContact SG-CB 3.11Å
297	L	93	Very high	72.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123	171.4	-170.2	74.7	0	0	0	109	F256 W263 L265 L324 F341 I343 P349	F256-L297 HydrophobicContact CE1-CD1 4.13Å; F256-L297 HydrophobicContact CZ-CD1 3.9Å; W263-L297 HydrophobicContact CD2-CD2 4.45Å; W263-L297 HydrophobicContact CE3-CD1 4.27Å; W263-L297 HydrophobicContact CE3-CD2 3.46Å; W263-L297 VanDerWaalsContact CE3-CD2 3.46Å; W263-L297 HydrophobicContact CE3-CG 3.61Å; W263-L297 HydrophobicContact CZ3-CD2 3.48Å; W263-L297 VanDerWaalsContact CZ3-CD2 3.48Å; W263-L297 HydrophobicContact CZ3-CG 3.93Å; L265-L297 HydrophobicContact CB-CD1 3.87Å; L265-L297 HydrophobicContact CD1-CD1 4.35Å; L265-L297 HydrophobicContact CG-CD1 4.43Å; L297-L324 HydrophobicContact CD2-CD2 3.09Å; L297-F341 HydrophobicContact CB-CD1 4.46Å; L297-F341 HydrophobicContact CB-CD2 4.13Å; L297-F341 HydrophobicContact CB-CE1 4.42Å; L297-F341 HydrophobicContact CB-CE2 4.08Å; L297-F341 HydrophobicContact CB-CG 4.32Å; L297-F341 HydrophobicContact CB-CZ 4.23Å; L297-F341 HydrophobicContact CD2-CD2 4.41Å; L297-I343 WeakPolarHBondContact O-CD1 3.08Å; L297-P349 WeakPolarHBondContact O-CD 3.45Å
298	T	89.6	Confident	72.5	Confident	20 Å²	20	56.2 Å²	56.2	12%	0.123	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.9	-177.8	65.3	0	0	0	0	110.4	W263 A264 G347 W348	W263-T298 VanDerWaalsContact CA-O 3.28Å; W263-T298 WeakPolarHBondContact CA-O 2.87Å; A264-T298 PolarHBondContact N-O 3.18Å; A264-T298 PolarHBondContact O-N 3.37Å; A264-T298 PolarHBondContact O-OG1 3.24Å; T298-G347 WeakPolarHBondContact CA-O 3.34Å; T298-W348 HydrophobicContact CG2-CD2 4.27Å; T298-W348 HydrophobicContact CG2-CE3 3.47Å; T298-W348 VanDerWaalsContact CG2-CE3 3.47Å; T298-W348 HydrophobicContact CG2-CH2 4.1Å; T298-W348 HydrophobicContact CG2-CZ3 3.38Å
299	K	89.2	Confident	71	Confident	24 Å²	24	61 Å²	61	10%	0.104	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.8	-177.1	-169.7	-177.4	94.4	156.4	0	110.2	D261 W263 T322 I343 G347	D261-K299 HydrophobicContact CB-CD 3.79Å; D261-K299 HydrophobicContact CB-CG 3.7Å; D261-K299 IonicContact OD1-NZ 3.31Å; D261-K299 VanDerWaalsContact OD2-CD 3.27Å; D261-K299 WeakPolarHBondContact OD2-CD 3.31Å; D261-K299 VanDerWaalsContact OD2-CE 3.25Å; D261-K299 WeakPolarHBondContact OD2-CE 3.31Å; D261-K299 IonicContact OD2-NZ 2.73Å; D261-K299 PolarHBondContact OD2-NZ 3.46Å; W263-K299 HydrophobicContact CD2-CB 4.19Å; W263-K299 HydrophobicContact CD2-CG 4.03Å; W263-K299 HydrophobicContact CE3-CB 3.85Å; W263-K299 HydrophobicContact CE3-CG 4.17Å; W263-K299 HydrophobicContact CH2-CB 4.03Å; W263-K299 HydrophobicContact CH2-CD 3.61Å; W263-K299 HydrophobicContact CH2-CG 3.99Å; W263-K299 HydrophobicContact CZ2-CB 4.28Å; W263-K299 HydrophobicContact CZ2-CD 3.37Å; W263-K299 HydrophobicContact CZ2-CG 3.74Å; W263-K299 HydrophobicContact CZ3-CB 3.82Å; W263-K299 HydrophobicContact CZ3-CD 4.28Å; W263-K299 HydrophobicContact CZ3-CG 4.2Å; K299-T322 PolarHBondContact NZ-OG1 3.22Å; K299-I343 HydrophobicContact CB-CG2 4.14Å; K299-G347 PolarHBondContact N-O 2.85Å; K299-G347 WeakPolarHBondContact O-CA 3.18Å
300	T	82.3	Confident	69.3	Low	74 Å²	74	67.5 Å²	67.5	45%	0.454	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.2	167.2	52.6	0	0	0	0	108.2	T262	T262-T300 WeakPolarHBondContact CB-OG1 3.28Å; T262-T300 PolarHBondContact N-O 3.09Å; T262-T300 PolarHBondContact O-N 2.91Å; T262-T300 PolarHBondContact O-OG1 3.37Å
301	S	69	Low	67.6	Low	43 Å²	43	71 Å²	71	30%	0.301	36%	0.355	S	S	.	.			trans	-95.9	127.4	176.8	-163.8	0	0	0	0	109.4	D261 H303	D261-S301 WeakPolarHBondContact OD1-CA 3.33Å; D261-S301 VanDerWaalsContact OD1-CB 3.31Å; D261-S301 WeakPolarHBondContact OD1-CB 3.45Å; D261-S301 PolarHBondContact OD1-OG 3.19Å; S301-H303 PolarHBondContact O-N 2.91Å; S301-H303 PolarHBondContact OG-CD2 3.27Å; S301-H303 PolarHBondContact OG-NE2 3.02Å
302	Q	59.1	Low	65.9	Low	171 Å²	171	78.1 Å²	78.1	80%	0.799	39%	0.392	S	S	*	.			trans	-76.8	61.4	166.6	-63.2	-177.2	7	0	0	108.8	K304	Q302-K304 PolarHBondContact O-N 2.88Å
303	H	50.4	Low	64.2	Low	89 Å²	89	82.9 Å²	82.9	41%	0.412	42%	0.423	S	S	.	.			trans	-64.8	106	167.3	-81.9	-63.2	0	0	0	106.8	S301 T305	S301-H303 PolarHBondContact O-N 2.91Å; S301-H303 PolarHBondContact OG-CD2 3.27Å; S301-H303 PolarHBondContact OG-NE2 3.02Å; H303-T305 VanDerWaalsContact C-N 3.34Å; H303-T305 PolarHBondContact O-N 3.04Å
304	K	46.7	Very low	62.9	Low	157 Å²	157	85.8 Å²	85.8	68%	0.683	44%	0.436	S	S	*	.			trans	-50.8	110.9	156.4	-72.9	-177.9	179.8	177.2	0	104.3	Q302 D306	Q302-K304 PolarHBondContact O-N 2.88Å; K304-D306 PolarHBondContact O-N 3.33Å
305	T	39.7	Very low	61.7	Low	123 Å²	123	92.2 Å²	92.2	76%	0.755	46%	0.463	S	S	*	.			trans	-67.4	78.4	167.3	23.2	0	0	0	0	104.7	H303 N307	H303-T305 VanDerWaalsContact C-N 3.34Å; H303-T305 PolarHBondContact O-N 3.04Å; T305-N307 VanDerWaalsContact C-N 3.28Å; T305-N307 PolarHBondContact O-N 3.13Å
306	D	41	Very low	60.6	Low	86 Å²	86	94.4 Å²	94.4	46%	0.46	48%	0.477	S	S	.	.			trans	-61.3	106.2	166.2	-69.8	-26	0	0	0	103.5	K304 Y308	K304-D306 PolarHBondContact O-N 3.33Å; D306-Y308 WeakPolarHBondContact O-CD2 3.39Å; D306-Y308 PolarHBondContact O-N 3.13Å
307	N	39.1	Very low	59.6	Low	133 Å²	133	98 Å²	98	71%	0.711	50%	0.495	S	S	*	.			trans	-48.9	108.4	177	-82.2	-27.3	0	0	0	106.5	T305 T309	T305-N307 VanDerWaalsContact C-N 3.28Å; T305-N307 PolarHBondContact O-N 3.13Å; N307-T309 HydrophobicContact CB-CG2 4.17Å; N307-T309 PolarHBondContact O-N 2.98Å; N307-T309 PolarHBondContact O-OG1 3.08Å
308	Y	45.1	Very low	58.8	Low	123 Å²	123	99.9 Å²	99.9	48%	0.482	52%	0.515	S	S	.	.			trans	-66.4	21	-178.7	-70.3	-83.3	0	0	0	112.7	D306 Y310 Y311 P316 M445	D306-Y308 WeakPolarHBondContact O-CD2 3.39Å; D306-Y308 PolarHBondContact O-N 3.13Å; Y308-Y310 PolarHBondContact O-N 3.43Å; Y308-Y311 PolarHBondContact O-N 3.36Å; Y308-Y311 VanDerWaalsContact O-N 3.13Å; Y308-P316 HydrophobicContact CE1-CG 4.37Å; Y308-M445 HydrophobicContact CE1-CE 4.05Å; Y308-M445 HydrophobicContact CE1-CG 4.09Å; Y308-M445 HydrophobicContact CE1-SD 4.16Å
309	T	40.8	Very low	58.5	Low	105 Å²	105	102.1 Å²	102.1	64%	0.644	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-6.1	179	51.5	0	0	0	0	113.1	N307	N307-T309 HydrophobicContact CB-CG2 4.17Å; N307-T309 PolarHBondContact O-N 2.98Å; N307-T309 PolarHBondContact O-OG1 3.08Å
310	Y	43.6	Very low	58.3	Low	146 Å²	146	102.7 Å²	102.7	57%	0.573	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-20.4	176.2	-154.2	-95.2	0	0	0	113.6	Y308	Y308-Y310 PolarHBondContact O-N 3.43Å
311	Y	48.5	Very low	58.7	Low	76 Å²	76	101.5 Å²	101.5	30%	0.298	52%	0.518	S	S	.	.			trans	-115.8	61.8	-179.8	-62	-74	0	0	0	110.7	Y308 V313 P451	Y308-Y311 PolarHBondContact O-N 3.36Å; Y308-Y311 VanDerWaalsContact O-N 3.13Å; Y311-V313 PolarHBondContact O-N 2.71Å; Y311-P451 HydrophobicContact CE2-CB 4.22Å; Y311-P451 HydrophobicContact CE2-CG 4.08Å; Y311-P451 VanDerWaalsContact OH-CG 3.25Å; Y311-P451 WeakPolarHBondContact OH-CG 3.31Å
312	D	50.3	Low	59.7	Low	148 Å²	148	99.7 Å²	99.7	79%	0.791	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-6.6	-179.4	-88.8	-21.8	0	0	0	114.8
313	V	53.6	Low	61.2	Low	145 Å²	145	94.7 Å²	94.7	88%	0.879	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-30.1	-170.1	-169.5	0	0	0	0	113.8	Y311	Y311-V313 PolarHBondContact O-N 2.71Å
314	E	62.2	Low	63.2	Low	64 Å²	64	90.4 Å²	90.4	30%	0.299	46%	0.46	S	S	.	.			trans	-144.9	121.3	-173.2	-164.1	-179.9	161.7	0	0	110.9	C442 L443 R453	E314-C442 WeakPolarHBondContact OE1-CA 3.43Å; E314-L443 HydrophobicContact CG-CB 4.17Å; E314-L443 VanDerWaalsContact O-CD2 3.31Å; E314-L443 WeakPolarHBondContact O-CD2 3.41Å; E314-L443 PolarHBondContact OE1-N 2.97Å; E314-R453 IonicContact OE2-NH2 2.95Å
315	K	67	Low	65.5	Low	187 Å²	187	84.5 Å²	84.5	81%	0.813	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-74	131.9	174	-71.8	-176.3	-179.5	179.8	0	109.4	L317	K315-L317 PolarHBondContact O-N 3.22Å
316	P	69.5	Low	68.1	Low	46 Å²	46	78.7 Å²	78.7	30%	0.299	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-61.3	130	176.6	24.2	-31.9	0	0	0	110.5	Y308 L443 M445	Y308-P316 HydrophobicContact CE1-CG 4.37Å; P316-L443 CarbonylContact C-O 3.51Å; P316-L443 WeakPolarHBondContact CA-O 3.39Å; P316-L443 HydrophobicContact CB-CD2 4.12Å; P316-L443 HydrophobicContact CB-CG 4.1Å; P316-M445 HydrophobicContact CB-CG 3.55Å; P316-M445 HydrophobicContact CB-SD 4.15Å; P316-M445 HydrophobicContact CG-CG 3.84Å; P316-M445 HydrophobicContact CG-SD 4.46Å
317	L	72.4	Confident	70.7	Confident	98 Å²	98	75.6 Å²	75.6	51%	0.513	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-90.5	150	174.1	-73.7	170.8	0	0	0	110.3	K315 C442 L443 I444	K315-L317 PolarHBondContact O-N 3.22Å; L317-C442 HydrophobicContact CB-CB 4.39Å; L317-C442 HydrophobicContact CD1-CB 3.7Å; L317-L443 PolarHBondContact N-O 2.82Å; L317-I444 WeakPolarHBondContact O-CG2 3.44Å
318	G	76.3	Confident	73.3	Confident	40 Å²	40	69.3 Å²	69.3	41%	0.412	35%	0.349	S	S	.	.			trans	114.8	157.1	177	0	0	0	0	0	113.3	V425	G318-V425 CarbonylContact C-O 3.56Å; G318-V425 VanDerWaalsContact CA-O 3.24Å; G318-V425 WeakPolarHBondContact CA-O 3.15Å
319	T	82.4	Confident	75.6	Confident	66 Å²	66	66.8 Å²	66.8	41%	0.405	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.3	176.6	48	0	0	0	0	108.8	W321 V425	T319-W321 PolarHBondContact OG1-NE1 2.91Å; T319-V425 PolarHBondContact N-O 2.92Å; T319-V425 PolarHBondContact O-N 3.29Å; T319-V425 PolarHBondContact OG1-O 2.83Å
320	Q	86.3	Confident	78	Confident	37 Å²	37	62.2 Å²	62.2	17%	0.173	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	135	174.2	-57.9	-57	-23.3	0	0	109.5	G344 S345 L423 T424 M445	Q320-G344 CarbonylContact O-C 3.55Å; Q320-S345 PolarHBondContact O-N 2.96Å; Q320-L423 WeakPolarHBondContact CA-O 3.27Å; Q320-L423 PolarHBondContact OE1-O 3.02Å; Q320-T424 PolarHBondContact NE2-OG1 2.81Å; Q320-T424 PolarHBondContact OE1-OG1 2.77Å; Q320-M445 PolarHBondContact NE2-O 2.82Å
321	W	88.8	Confident	80.2	Confident	48 Å²	48	56.9 Å²	56.9	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.9	179.3	-69.7	86.9	0	0	0	110	T319 L342 I343 G344 L350 L423 V425	T319-W321 PolarHBondContact OG1-NE1 2.91Å; W321-L342 HydrophobicContact CB-CD1 4.17Å; W321-L342 HydrophobicContact CD2-CD1 4.43Å; W321-L342 HydrophobicContact CD2-CG 4.5Å; W321-L342 HydrophobicContact CE3-CD1 3.87Å; W321-L342 HydrophobicContact CE3-CD2 4.32Å; W321-L342 HydrophobicContact CE3-CG 3.63Å; W321-L342 HydrophobicContact CZ3-CG 4Å; W321-I343 CarbonylContact C-O 3.46Å; W321-I343 VanDerWaalsContact CA-O 3.31Å; W321-I343 WeakPolarHBondContact CA-O 3.48Å; W321-I343 VanDerWaalsContact CE3-C 3.48Å; W321-G344 VanDerWaalsContact CE3-CA 3.47Å; W321-L350 HydrophobicContact CE3-CD1 4.34Å; W321-L350 HydrophobicContact CH2-CD1 3.65Å; W321-L350 HydrophobicContact CH2-CD2 3.98Å; W321-L350 HydrophobicContact CH2-CG 3.82Å; W321-L350 HydrophobicContact CZ3-CD1 3.4Å; W321-L350 VanDerWaalsContact CZ3-CD1 3.4Å; W321-L350 HydrophobicContact CZ3-CD2 4.29Å; W321-L350 HydrophobicContact CZ3-CG 3.62Å; W321-L423 HydrophobicContact CB-CB 4.03Å; W321-L423 PolarHBondContact N-O 2.82Å; W321-L423 PolarHBondContact O-N 3.37Å; W321-V425 VanDerWaalsContact CD1-CG2 3.5Å; W321-V425 HydrophobicContact CG-CG2 4.16Å
322	T	90.7	Very high	82	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.6	172.4	-64	0	0	0	0	108.1	W263 K299 L342 I343 Y420 E421	W263-T322 HydrophobicContact CH2-CG2 3.91Å; W263-T322 HydrophobicContact CZ2-CG2 4.32Å; K299-T322 PolarHBondContact NZ-OG1 3.22Å; T322-L342 WeakPolarHBondContact O-CA 3.08Å; T322-I343 PolarHBondContact N-O 2.77Å; T322-I343 PolarHBondContact O-N 3.02Å; T322-Y420 HydrophobicContact CG2-CD2 3.92Å; T322-Y420 HydrophobicContact CG2-CE2 3.23Å; T322-E421 WeakPolarHBondContact CA-O 3.48Å
323	R	91	Very high	83.6	Confident	66 Å²	66	53.8 Å²	53.8	25%	0.249	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.5	170.5	-172.8	-176.8	-64.1	159.1	-4.7	108.1	F341 L342 Y420 E421 L423 E648	R323-F341 WeakPolarHBondContact CA-O 3.43Å; R323-L342 HydrophobicContact CB-CD1 4.36Å; R323-Y420 CarbonylContact O-C 3.53Å; R323-Y420 WeakPolarHBondContact O-CA 2.79Å; R323-E421 HydrophobicContact CB-CB 4.26Å; R323-E421 WeakPolarHBondContact CD-OE2 3.42Å; R323-E421 IonicContact CZ-OE2 3.43Å; R323-E421 PolarHBondContact N-O 2.94Å; R323-E421 IonicContact NE-OE2 2.75Å; R323-E421 IonicContact NH1-OE2 3.93Å; R323-E421 PolarHBondContact NH1-OE2 3.39Å; R323-E421 PolarHBondContact O-N 2.79Å; R323-L423 HydrophobicContact CB-CD1 4.06Å; R323-E648 IonicContact NH2-OE2 3.03Å; R323-E648 PolarHBondContact NH2-OE2 3.25Å
324	L	93	Very high	85.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.4	179.2	-177.6	78.3	0	0	0	109.8	Y258 W263 L297 F341 M417 F419 Y420	Y258-L324 HydrophobicContact CE1-CD1 3.95Å; W263-L324 HydrophobicContact CZ3-CD2 4.33Å; L297-L324 HydrophobicContact CD2-CD2 3.09Å; L324-F341 HydrophobicContact CD2-CD2 4.48Å; L324-F341 PolarHBondContact N-O 3.01Å; L324-F341 PolarHBondContact O-N 2.7Å; L324-M417 HydrophobicContact CD1-CE 3.49Å; L324-M417 VanDerWaalsContact CD1-CE 3.49Å; L324-M417 HydrophobicContact CD2-CE 3.89Å; L324-M417 HydrophobicContact CG-CE 4.28Å; L324-F419 CarbonylContact C-O 3.5Å; L324-F419 WeakPolarHBondContact CA-O 3.12Å; L324-F419 WeakPolarHBondContact CD1-O 3.26Å; L324-Y420 HydrophobicContact CD1-CD2 3.8Å
325	L	94	Very high	86.5	Confident	32 Å²	32	46.4 Å²	46.4	17%	0.168	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.2	166	-46.7	174.7	0	0	0	108.7	L338 M339 K340 I418 F419	L325-L338 HydrophobicContact CB-CD1 3.99Å; L325-M339 WeakPolarHBondContact CA-O 3.49Å; L325-K340 HydrophobicContact CD2-CB 3.75Å; L325-K340 HydrophobicContact CD2-CD 3.73Å; L325-K340 HydrophobicContact CD2-CG 3.49Å; L325-K340 VanDerWaalsContact CD2-CG 3.49Å; L325-I418 HydrophobicContact CB-CB 4.46Å; L325-I418 WeakPolarHBondContact O-CB 3.1Å; L325-I418 PolarHBondContact O-N 3.3Å; L325-F419 HydrophobicContact CB-CB 3.8Å; L325-F419 HydrophobicContact CD1-CB 3.73Å; L325-F419 HydrophobicContact CD1-CD1 3.81Å; L325-F419 HydrophobicContact CD1-CG 4.07Å; L325-F419 HydrophobicContact CG-CB 3.83Å; L325-F419 HydrophobicContact CG-CD1 3.98Å; L325-F419 HydrophobicContact CG-CG 4.36Å; L325-F419 PolarHBondContact N-O 2.87Å; L325-F419 PolarHBondContact O-N 2.92Å; L325-F419 VanDerWaalsContact O-N 3.07Å
326	C	94.7	Very high	87.5	Confident	2 Å²	2	38 Å²	38	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.5	177.4	55.7	0	0	0	0	111.3	M339 E416 M417	C326-M339 PolarHBondContact N-O 2.82Å; C326-M339 VanDerWaalsContact N-O 3.14Å; C326-M339 WeakPolarHBondContact O-CA 3.31Å; C326-M339 VanDerWaalsContact O-CB 3.29Å; C326-M339 WeakPolarHBondContact O-CB 3.36Å; C326-M339 PolarHBondContact O-N 3.4Å; C326-E416 CarbonylContact C-O 3.52Å; C326-E416 WeakPolarHBondContact CA-O 3.3Å; C326-E416 WeakPolarHBondContact CB-O 3.15Å; C326-M417 HydrophobicContact CB-SD 3.95Å
327	N	94.8	Very high	88.4	Confident	20 Å²	20	36.9 Å²	36.9	11%	0.107	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.6	174.4	-83.8	-11.8	0	0	0	108.2	Y329 H335 G337 L338 L415 E416 I418	N327-Y329 HydrophobicContact CB-CE2 4.2Å; N327-H335 VanDerWaalsContact CG-CE1 3.46Å; N327-G337 VanDerWaalsContact OD1-C 3.25Å; N327-G337 PolarHBondContact OD1-O 2.97Å; N327-G337 VanDerWaalsContact OD1-O 3.08Å; N327-L338 VanDerWaalsContact OD1-CA 3.26Å; N327-L338 WeakPolarHBondContact OD1-CA 3.42Å; N327-L338 PolarHBondContact OD1-N 2.81Å; N327-L415 CarbonylContact O-C 3.54Å; N327-L415 WeakPolarHBondContact O-CA 3.33Å; N327-E416 HydrophobicContact CB-CB 4.09Å; N327-E416 WeakPolarHBondContact CB-OE2 3.38Å; N327-E416 PolarHBondContact N-O 2.81Å; N327-E416 PolarHBondContact ND2-OE2 3.3Å; N327-E416 PolarHBondContact O-N 3.01Å; N327-I418 HydrophobicContact CB-CD1 4.16Å; N327-I418 WeakPolarHBondContact ND2-CD1 3.42Å
328	A	94.3	Very high	89.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.5	168.8	0	0	0	0	0	111	H335 T336 M339 I413 T414 L415	A328-H335 PolarHBondContact O-ND1 2.95Å; A328-T336 WeakPolarHBondContact CA-OG1 2.94Å; A328-T336 HydrophobicContact CB-CG2 3.87Å; A328-T336 WeakPolarHBondContact CB-OG1 3.1Å; A328-T336 PolarHBondContact N-OG1 2.99Å; A328-T336 PolarHBondContact O-N 3.4Å; A328-T336 VanDerWaalsContact O-N 3.14Å; A328-T336 PolarHBondContact O-OG1 3.48Å; A328-M339 HydrophobicContact CB-CE 3.59Å; A328-M339 HydrophobicContact CB-SD 4.24Å; A328-I413 HydrophobicContact CB-CG2 4.34Å; A328-T414 WeakPolarHBondContact CA-O 3.04Å; A328-L415 HydrophobicContact CB-CD2 3.6Å
329	Y	93.5	Very high	90.1	Very high	70 Å²	70	33.9 Å²	33.9	28%	0.275	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.7	172	-56.6	-87	0	0	0	108.7	N327 H335 T414 E416	N327-Y329 HydrophobicContact CB-CE2 4.2Å; Y329-H335 HydrophobicContact CD1-CB 4.3Å; Y329-H335 AromaticContact CD1-ND1 3.83Å; Y329-H335 HydrophobicContact CE1-CB 4.48Å; Y329-H335 AromaticContact CE1-CG 3.94Å; Y329-H335 AromaticContact CE1-ND1 3.68Å; Y329-T414 HydrophobicContact CD2-CG2 4.44Å; Y329-T414 PolarHBondContact N-O 3.29Å; Y329-T414 PolarHBondContact O-N 3.21Å; Y329-E416 HydrophobicContact CE2-CB 4.01Å; Y329-E416 PolarHBondContact OH-OE2 3.04Å
330	L	92.1	Very high	90.6	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.052	19%	0.186	C	C	.	.			trans	-108	162.8	-177.9	-57.5	171.2	0	0	0	109.5	I267 C334 T336 F357 F402 F411 I413	I267-L330 HydrophobicContact CD1-CD2 3.83Å; L330-C334 HydrophobicContact CB-CB 4.01Å; L330-C334 WeakPolarHBondContact CB-O 3.46Å; L330-C334 PolarHBondContact N-O 2.82Å; L330-C334 PolarHBondContact O-N 2.72Å; L330-T336 HydrophobicContact CD1-CG2 4.01Å; L330-T336 HydrophobicContact CG-CG2 4.5Å; L330-F357 HydrophobicContact CD1-CE2 3.74Å; L330-F357 HydrophobicContact CD1-CZ 3.95Å; L330-F402 HydrophobicContact CB-CD2 4.01Å; L330-F402 HydrophobicContact CB-CE2 3.82Å; L330-F402 HydrophobicContact CD1-CE2 4.01Å; L330-F402 HydrophobicContact CD1-CZ 3.92Å; L330-F402 HydrophobicContact CD2-CE2 4.4Å; L330-F402 HydrophobicContact CG-CE2 4.3Å; L330-F411 HydrophobicContact CD2-CE2 4.16Å; L330-I413 HydrophobicContact CD2-CB 4.47Å; L330-I413 HydrophobicContact CD2-CD1 4.44Å; L330-I413 HydrophobicContact CD2-CG1 3.84Å; L330-I413 HydrophobicContact CD2-CG2 4.03Å
331	P	89.5	Confident	91	Very high	34 Å²	34	35.8 Å²	35.8	22%	0.221	18%	0.179	C	C	.	.	S	Bend	trans	-55	154	174.2	-25.8	35.4	0	0	0	112.9	F402 S405 F411	P331-F402 HydrophobicContact CB-CD2 4.46Å; P331-F402 WeakPolarHBondContact O-CB 3.47Å; P331-S405 VanDerWaalsContact CB-OG 3.26Å; P331-S405 WeakPolarHBondContact CB-OG 3.06Å; P331-S405 WeakPolarHBondContact CG-OG 3.41Å; P331-F411 HydrophobicContact CG-CB 4.04Å; P331-F411 HydrophobicContact CG-CD2 3.72Å; P331-F411 HydrophobicContact CG-CG 4.16Å
332	G	84.7	Confident	91	Very high	25 Å²	25	35.4 Å²	35.4	26%	0.258	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	28	-177.2	0	0	0	0	0	114	C334 S398	G332-C334 PolarHBondContact O-N 2.75Å; G332-S398 PolarHBondContact O-N 3.38Å; G332-S398 VanDerWaalsContact O-N 3.09Å
333	E	85.2	Confident	91	Very high	133 Å²	133	35.1 Å²	35.1	62%	0.621	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	17.7	-175.8	-57.2	-171.4	177.1	0	0	114.1	H335 Q397	E333-H335 PolarHBondContact O-N 2.76Å; E333-Q397 WeakPolarHBondContact O-CG 3.38Å
334	C	87.7	Confident	90.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.			trans	-71.5	115.1	-178.2	-72.8	0	0	0	0	109.9	L330 G332 F357	L330-C334 HydrophobicContact CB-CB 4.01Å; L330-C334 WeakPolarHBondContact CB-O 3.46Å; L330-C334 PolarHBondContact N-O 2.82Å; L330-C334 PolarHBondContact O-N 2.72Å; G332-C334 PolarHBondContact O-N 2.75Å; C334-F357 HydrophobicContact CB-CD1 3.94Å; C334-F357 HydrophobicContact CB-CD2 4.18Å; C334-F357 HydrophobicContact CB-CE1 3.75Å; C334-F357 HydrophobicContact CB-CE2 3.99Å; C334-F357 HydrophobicContact CB-CG 4.16Å; C334-F357 HydrophobicContact CB-CZ 3.79Å
335	H	89.4	Confident	90.2	Very high	55 Å²	55	35.9 Å²	35.9	26%	0.255	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.7	179.8	178	40	0	0	0	110.6	N327 A328 Y329 E333 G337 Q397	N327-H335 VanDerWaalsContact CG-CE1 3.46Å; A328-H335 PolarHBondContact O-ND1 2.95Å; Y329-H335 HydrophobicContact CD1-CB 4.3Å; Y329-H335 AromaticContact CD1-ND1 3.83Å; Y329-H335 HydrophobicContact CE1-CB 4.48Å; Y329-H335 AromaticContact CE1-CG 3.94Å; Y329-H335 AromaticContact CE1-ND1 3.68Å; E333-H335 PolarHBondContact O-N 2.76Å; H335-G337 PolarHBondContact CE1-N 3.39Å; H335-G337 WeakPolarHBondContact NE2-CA 3.38Å; H335-G337 PolarHBondContact NE2-N 3.39Å; H335-G337 PolarHBondContact O-N 3.46Å; H335-Q397 VanDerWaalsContact N-NE2 3.2Å; H335-Q397 PolarHBondContact O-NE2 3.18Å
336	T	88.3	Confident	89.6	Confident	9 Å²	9	39.5 Å²	39.5	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-13.7	-176.4	53.6	0	0	0	0	114.6	I295 A328 L330 M339 H353 F357	I295-T336 HydrophobicContact CD1-CG2 3.45Å; I295-T336 VanDerWaalsContact CD1-CG2 3.45Å; A328-T336 WeakPolarHBondContact CA-OG1 2.94Å; A328-T336 HydrophobicContact CB-CG2 3.87Å; A328-T336 WeakPolarHBondContact CB-OG1 3.1Å; A328-T336 PolarHBondContact N-OG1 2.99Å; A328-T336 PolarHBondContact O-N 3.4Å; A328-T336 VanDerWaalsContact O-N 3.14Å; A328-T336 PolarHBondContact O-OG1 3.48Å; L330-T336 HydrophobicContact CD1-CG2 4.01Å; L330-T336 HydrophobicContact CG-CG2 4.5Å; T336-M339 HydrophobicContact CG2-SD 4.41Å; T336-H353 PolarHBondContact O-NE2 2.73Å; T336-F357 HydrophobicContact CG2-CZ 4.25Å
337	G	88.1	Confident	89.1	Confident	23 Å²	23	39.7 Å²	39.7	24%	0.237	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.2	-169.1	-166	0	0	0	0	0	112.5	N327 H335 M339	N327-G337 VanDerWaalsContact OD1-C 3.25Å; N327-G337 PolarHBondContact OD1-O 2.97Å; N327-G337 VanDerWaalsContact OD1-O 3.08Å; H335-G337 PolarHBondContact CE1-N 3.39Å; H335-G337 WeakPolarHBondContact NE2-CA 3.38Å; H335-G337 PolarHBondContact NE2-N 3.39Å; H335-G337 PolarHBondContact O-N 3.46Å; G337-M339 PolarHBondContact O-N 3.46Å; G337-M339 VanDerWaalsContact O-N 3.09Å
338	L	91.8	Very high	88.6	Confident	74 Å²	74	46.6 Å²	46.6	39%	0.387	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	103.5	-178.2	-173.2	67.5	0	0	0	111.4	L325 N327 I418	L325-L338 HydrophobicContact CB-CD1 3.99Å; N327-L338 VanDerWaalsContact OD1-CA 3.26Å; N327-L338 WeakPolarHBondContact OD1-CA 3.42Å; N327-L338 PolarHBondContact OD1-N 2.81Å; L338-I418 HydrophobicContact CD1-CD1 3.47Å; L338-I418 VanDerWaalsContact CD1-CD1 3.47Å
339	M	92.6	Very high	88.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.3	173.5	-50.5	-168.2	-69.7	0	0	110	I295 L325 C326 A328 T336 G337 F341 H353 L415	I295-M339 HydrophobicContact CB-SD 4.23Å; I295-M339 HydrophobicContact CD1-SD 3.88Å; I295-M339 HydrophobicContact CG2-SD 4.02Å; L325-M339 WeakPolarHBondContact CA-O 3.49Å; C326-M339 PolarHBondContact N-O 2.82Å; C326-M339 VanDerWaalsContact N-O 3.14Å; C326-M339 WeakPolarHBondContact O-CA 3.31Å; C326-M339 VanDerWaalsContact O-CB 3.29Å; C326-M339 WeakPolarHBondContact O-CB 3.36Å; C326-M339 PolarHBondContact O-N 3.4Å; A328-M339 HydrophobicContact CB-CE 3.59Å; A328-M339 HydrophobicContact CB-SD 4.24Å; T336-M339 HydrophobicContact CG2-SD 4.41Å; G337-M339 PolarHBondContact O-N 3.46Å; G337-M339 VanDerWaalsContact O-N 3.09Å; M339-F341 HydrophobicContact CB-CD2 4.36Å; M339-F341 HydrophobicContact CB-CE2 3.58Å; M339-F341 HydrophobicContact CB-CZ 3.99Å; M339-F341 HydrophobicContact CE-CE2 4.14Å; M339-F341 HydrophobicContact SD-CE2 4.25Å; M339-F341 HydrophobicContact SD-CZ 4.16Å; M339-H353 HydrophobicContact CB-CB 4.25Å; M339-H353 HydrophobicContact CG-CB 4.21Å; M339-H353 HydrophobicContact SD-CB 4.27Å; M339-L415 HydrophobicContact CE-CD2 4.13Å
340	K	92.9	Very high	87.9	Confident	141 Å²	141	49.5 Å²	49.5	61%	0.613	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.4	-179.8	-48.4	-161.2	176.4	172.4	0	110.7	L325	L325-K340 HydrophobicContact CD2-CB 3.75Å; L325-K340 HydrophobicContact CD2-CD 3.73Å; L325-K340 HydrophobicContact CD2-CG 3.49Å; L325-K340 VanDerWaalsContact CD2-CG 3.49Å
341	F	93	Very high	87.6	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.4	178.7	-59.2	-73.5	0	0	0	110.9	I295 L297 R323 L324 M339 I343 P349 H353	I295-F341 HydrophobicContact CG2-CZ 4.42Å; L297-F341 HydrophobicContact CB-CD1 4.46Å; L297-F341 HydrophobicContact CB-CD2 4.13Å; L297-F341 HydrophobicContact CB-CE1 4.42Å; L297-F341 HydrophobicContact CB-CE2 4.08Å; L297-F341 HydrophobicContact CB-CG 4.32Å; L297-F341 HydrophobicContact CB-CZ 4.23Å; L297-F341 HydrophobicContact CD2-CD2 4.41Å; R323-F341 WeakPolarHBondContact CA-O 3.43Å; L324-F341 HydrophobicContact CD2-CD2 4.48Å; L324-F341 PolarHBondContact N-O 3.01Å; L324-F341 PolarHBondContact O-N 2.7Å; M339-F341 HydrophobicContact CB-CD2 4.36Å; M339-F341 HydrophobicContact CB-CE2 3.58Å; M339-F341 HydrophobicContact CB-CZ 3.99Å; M339-F341 HydrophobicContact CE-CE2 4.14Å; M339-F341 HydrophobicContact SD-CE2 4.25Å; M339-F341 HydrophobicContact SD-CZ 4.16Å; F341-I343 HydrophobicContact CB-CD1 4.05Å; F341-I343 HydrophobicContact CB-CG1 4.18Å; F341-P349 HydrophobicContact CD1-CB 4.05Å; F341-H353 HydrophobicContact CE1-CB 4.16Å; F341-H353 HydrophobicContact CZ-CB 4Å
342	L	90.6	Very high	87.5	Confident	39 Å²	39	55.8 Å²	55.8	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	106.7	168.4	-177.7	60.5	0	0	0	107.4	W321 T322 R323 L350 L423	W321-L342 HydrophobicContact CB-CD1 4.17Å; W321-L342 HydrophobicContact CD2-CD1 4.43Å; W321-L342 HydrophobicContact CD2-CG 4.5Å; W321-L342 HydrophobicContact CE3-CD1 3.87Å; W321-L342 HydrophobicContact CE3-CD2 4.32Å; W321-L342 HydrophobicContact CE3-CG 3.63Å; W321-L342 HydrophobicContact CZ3-CG 4Å; T322-L342 WeakPolarHBondContact O-CA 3.08Å; R323-L342 HydrophobicContact CB-CD1 4.36Å; L342-L350 HydrophobicContact CB-CD1 4.11Å; L342-L350 HydrophobicContact CD2-CD1 3.58Å; L342-L350 HydrophobicContact CG-CD1 3.81Å; L342-L350 PolarHBondContact O-N 2.9Å; L342-L423 HydrophobicContact CD1-CD1 4.41Å
343	I	90.2	Very high	87.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.9	-168.5	-64.5	164.2	0	0	0	108.5	W263 L297 K299 W321 T322 F341 G347 P349	W263-I343 HydrophobicContact CE3-CD1 4.45Å; W263-I343 HydrophobicContact CH2-CD1 3.91Å; W263-I343 HydrophobicContact CZ3-CD1 3.37Å; L297-I343 WeakPolarHBondContact O-CD1 3.08Å; K299-I343 HydrophobicContact CB-CG2 4.14Å; W321-I343 CarbonylContact C-O 3.46Å; W321-I343 VanDerWaalsContact CA-O 3.31Å; W321-I343 WeakPolarHBondContact CA-O 3.48Å; W321-I343 VanDerWaalsContact CE3-C 3.48Å; T322-I343 PolarHBondContact N-O 2.77Å; T322-I343 PolarHBondContact O-N 3.02Å; F341-I343 HydrophobicContact CB-CD1 4.05Å; F341-I343 HydrophobicContact CB-CG1 4.18Å; I343-G347 WeakPolarHBondContact CG2-O 3.27Å; I343-P349 HydrophobicContact CG1-CB 3.9Å
344	G	85.7	Confident	88.1	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	179.4	179	0	0	0	0	0	112.5	Q320 W321 Q346 G347 W348	Q320-G344 CarbonylContact O-C 3.55Å; W321-G344 VanDerWaalsContact CE3-CA 3.47Å; G344-Q346 PolarHBondContact O-N 3.33Å; G344-Q346 VanDerWaalsContact O-N 3.1Å; G344-G347 PolarHBondContact O-N 3.05Å; G344-W348 PolarHBondContact N-O 3.28Å
345	S	80.3	Confident	88.1	Confident	79 Å²	79	54.9 Å²	54.9	55%	0.552	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.6	177.2	53.9	0	0	0	0	114	Q320 G347	Q320-S345 PolarHBondContact O-N 2.96Å; S345-G347 PolarHBondContact O-N 2.81Å
346	Q	82.5	Confident	88	Confident	108 Å²	108	56 Å²	56	51%	0.505	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.1	174	71.4	-78.9	2.1	0	0	114.2	G344 W348	G344-Q346 PolarHBondContact O-N 3.33Å; G344-Q346 VanDerWaalsContact O-N 3.1Å; Q346-W348 VanDerWaalsContact C-N 3.33Å; Q346-W348 HydrophobicContact CG-CB 4.21Å; Q346-W348 PolarHBondContact NE2-O 3.13Å; Q346-W348 PolarHBondContact O-N 3.29Å
347	G	83.6	Confident	87.9	Confident	6 Å²	6	55.7 Å²	55.7	6%	0.062	29%	0.291	C	S	.	.	S	Bend	trans	88.5	-12.5	177.8	0	0	0	0	0	116.1	T298 K299 I343 G344 S345	T298-G347 WeakPolarHBondContact CA-O 3.34Å; K299-G347 PolarHBondContact N-O 2.85Å; K299-G347 WeakPolarHBondContact O-CA 3.18Å; I343-G347 WeakPolarHBondContact CG2-O 3.27Å; G344-G347 PolarHBondContact O-N 3.05Å; S345-G347 PolarHBondContact O-N 2.81Å
348	W	84.1	Confident	87.5	Confident	165 Å²	165	55.8 Å²	55.8	63%	0.625	29%	0.287	S	S	*	.			trans	-93.2	142.3	179.7	-62.2	93.4	0	0	0	112.5	T298 G344 Q346	T298-W348 HydrophobicContact CG2-CD2 4.27Å; T298-W348 HydrophobicContact CG2-CE3 3.47Å; T298-W348 VanDerWaalsContact CG2-CE3 3.47Å; T298-W348 HydrophobicContact CG2-CH2 4.1Å; T298-W348 HydrophobicContact CG2-CZ3 3.38Å; G344-W348 PolarHBondContact N-O 3.28Å; Q346-W348 VanDerWaalsContact C-N 3.33Å; Q346-W348 HydrophobicContact CG-CB 4.21Å; Q346-W348 PolarHBondContact NE2-O 3.13Å; Q346-W348 PolarHBondContact O-N 3.29Å
349	P	88	Confident	86.3	Confident	20 Å²	20	55.1 Å²	55.1	13%	0.13	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-72.2	148.8	175.2	30.7	-32.9	0	0	0	111.1	C296 L297 F341 I343 K351	C296-P349 HydrophobicContact CB-CG 4.37Å; L297-P349 WeakPolarHBondContact O-CD 3.45Å; F341-P349 HydrophobicContact CD1-CB 4.05Å; I343-P349 HydrophobicContact CG1-CB 3.9Å; P349-K351 PolarHBondContact O-N 2.82Å
350	L	85.1	Confident	84.5	Confident	112 Å²	112	61.2 Å²	61.2	59%	0.586	31%	0.31	S	S	*	.	S	Bend	trans	-65	-29.1	173.6	-84.1	166.7	0	0	0	113.5	W321 L342	W321-L350 HydrophobicContact CE3-CD1 4.34Å; W321-L350 HydrophobicContact CH2-CD1 3.65Å; W321-L350 HydrophobicContact CH2-CD2 3.98Å; W321-L350 HydrophobicContact CH2-CG 3.82Å; W321-L350 HydrophobicContact CZ3-CD1 3.4Å; W321-L350 VanDerWaalsContact CZ3-CD1 3.4Å; W321-L350 HydrophobicContact CZ3-CD2 4.29Å; W321-L350 HydrophobicContact CZ3-CG 3.62Å; L342-L350 HydrophobicContact CB-CD1 4.11Å; L342-L350 HydrophobicContact CD2-CD1 3.58Å; L342-L350 HydrophobicContact CG-CD1 3.81Å; L342-L350 PolarHBondContact O-N 2.9Å
351	K	86.3	Confident	82.2	Confident	160 Å²	160	58.3 Å²	58.3	70%	0.696	30%	0.304	S	S	*	.	S	Bend	trans	-150.7	136.1	-178.4	-162.5	-164.2	171.6	-172.2	0	109.3	P349	P349-K351 PolarHBondContact O-N 2.82Å
352	A	88.3	Confident	79.7	Confident	16 Å²	16	60.6 Å²	60.6	13%	0.132	32%	0.316	C	S	.	.			trans	-67.1	154.4	165.7	0	0	0	0	0	111.2	E294 C296	E294-A352 HydrophobicContact CG-CB 3.44Å; E294-A352 VanDerWaalsContact CG-CB 3.44Å; E294-A352 VanDerWaalsContact OE1-CB 3.3Å; E294-A352 WeakPolarHBondContact OE1-CB 3.49Å; C296-A352 WeakPolarHBondContact SG-CB 3.11Å
353	H	90.7	Very high	77	Confident	39 Å²	39	66.4 Å²	66.4	18%	0.181	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.2	167.9	-174.8	77.3	0	0	0	108.9	E294 I295 T336 M339 F341	E294-H353 CarbonylContact C-O 3.59Å; E294-H353 WeakPolarHBondContact CA-O 3.25Å; I295-H353 PolarHBondContact N-O 3.17Å; I295-H353 PolarHBondContact O-N 3.1Å; T336-H353 PolarHBondContact O-NE2 2.73Å; M339-H353 HydrophobicContact CB-CB 4.25Å; M339-H353 HydrophobicContact CG-CB 4.21Å; M339-H353 HydrophobicContact SD-CB 4.27Å; F341-H353 HydrophobicContact CE1-CB 4.16Å; F341-H353 HydrophobicContact CZ-CB 4Å
354	C	90.4	Very high	74.4	Confident	78 Å²	78	72.1 Å²	72.1	53%	0.527	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.2	178.4	-51.8	0	0	0	0	109.1	V293	V293-C354 CarbonylContact O-C 3.53Å; V293-C354 VanDerWaalsContact O-CA 3.31Å; V293-C354 WeakPolarHBondContact O-CA 3.37Å
355	C	89	Confident	72	Confident	22 Å²	22	79.3 Å²	79.3	15%	0.149	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.3	172.6	57	0	0	0	0	110.5	V293	V293-C355 PolarHBondContact N-O 3.32Å; V293-C355 PolarHBondContact O-N 3.26Å
356	T	86	Confident	69.7	Low	77 Å²	77	82.4 Å²	82.4	47%	0.472	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.5	179.1	-52.3	0	0	0	0	108.5	Y272 A291 D292	Y272-T356 WeakPolarHBondContact OH-CG2 3.45Å; A291-T356 WeakPolarHBondContact O-CA 2.97Å; D292-T356 VanDerWaalsContact OD1-CB 3.28Å; D292-T356 WeakPolarHBondContact OD1-CB 3.05Å; D292-T356 WeakPolarHBondContact OD1-CG2 3.31Å; D292-T356 PolarHBondContact OD1-OG1 3.15Å
357	F	86	Confident	67.4	Low	3 Å²	3	85.4 Å²	85.4	1%	0.013	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.4	173	-60.2	-58.3	0	0	0	109.8	C290 A291 V293 L330 C334 T336 A399 F402	C290-F357 WeakPolarHBondContact CA-O 3.42Å; A291-F357 PolarHBondContact N-O 3.47Å; A291-F357 VanDerWaalsContact N-O 3.07Å; A291-F357 PolarHBondContact O-N 3.12Å; V293-F357 HydrophobicContact CB-CE2 4.16Å; V293-F357 HydrophobicContact CG2-CD2 3.7Å; V293-F357 HydrophobicContact CG2-CE2 3.66Å; L330-F357 HydrophobicContact CD1-CE2 3.74Å; L330-F357 HydrophobicContact CD1-CZ 3.95Å; C334-F357 HydrophobicContact CB-CD1 3.94Å; C334-F357 HydrophobicContact CB-CD2 4.18Å; C334-F357 HydrophobicContact CB-CE1 3.75Å; C334-F357 HydrophobicContact CB-CE2 3.99Å; C334-F357 HydrophobicContact CB-CG 4.16Å; C334-F357 HydrophobicContact CB-CZ 3.79Å; T336-F357 HydrophobicContact CG2-CZ 4.25Å; F357-A399 HydrophobicContact CB-CB 4.12Å; F357-F402 HydrophobicContact CD2-CD1 4.17Å; F357-F402 HydrophobicContact CD2-CE1 4.36Å; F357-F402 HydrophobicContact CE2-CE1 4.47Å
358	D	80.5	Confident	64.9	Low	26 Å²	26	92.4 Å²	92.4	14%	0.139	46%	0.459	C	S	.	.			trans	-129	156.4	175.2	74.2	6.1	0	0	0	111.3	K277 T361	K277-D358 IonicContact NZ-OD2 3.35Å; K277-D358 PolarHBondContact NZ-OD2 2.77Å; D358-T361 WeakPolarHBondContact OD1-CB 3.44Å; D358-T361 VanDerWaalsContact OD1-CG2 3.3Å; D358-T361 WeakPolarHBondContact OD1-CG2 3.45Å; D358-T361 PolarHBondContact OD1-N 3.28Å; D358-T361 PolarHBondContact OD1-OG1 3.04Å; D358-T361 WeakPolarHBondContact OD2-CG2 3.43Å
359	E	66	Low	62.4	Low	60 Å²	60	92 Å²	92	28%	0.28	47%	0.468	S	S	.	.	S	Bend	trans	-80.9	-19.2	-174.8	-67.3	-164.4	127.5	0	0	114.4	A399 V400	E359-A399 HydrophobicContact CG-CB 4.48Å; E359-V400 VanDerWaalsContact OE1-CB 3.23Å; E359-V400 WeakPolarHBondContact OE1-CB 3.49Å; E359-V400 WeakPolarHBondContact OE1-CG2 3.38Å
360	Q	54.8	Low	59.7	Low	129 Å²	129	100.1 Å²	100.1	60%	0.603	50%	0.501	S	S	*	.			trans	-114.2	7	-164.7	-69.1	-158.9	22.1	0	0	117.4	D288 N362	D288-Q360 PolarHBondContact OD1-NE2 2.89Å; D288-Q360 WeakPolarHBondContact OD2-CG 3.43Å; D288-Q360 PolarHBondContact OD2-NE2 3.46Å; Q360-N362 PolarHBondContact O-N 3.29Å
361	T	46	Very low	56.9	Low	80 Å²	80	103.4 Å²	103.4	49%	0.491	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	83	179	48.7	0	0	0	0	113.8	D358	D358-T361 WeakPolarHBondContact OD1-CB 3.44Å; D358-T361 VanDerWaalsContact OD1-CG2 3.3Å; D358-T361 WeakPolarHBondContact OD1-CG2 3.45Å; D358-T361 PolarHBondContact OD1-N 3.28Å; D358-T361 PolarHBondContact OD1-OG1 3.04Å; D358-T361 WeakPolarHBondContact OD2-CG2 3.43Å
362	N	39.9	Very low	54	Low	50 Å²	50	99.4 Å²	99.4	27%	0.267	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.3	-6.3	150.9	-101.1	-29.4	0	0	0	117.5	Q360 T395	Q360-N362 PolarHBondContact O-N 3.29Å; N362-T395 PolarHBondContact ND2-O 2.92Å; N362-T395 VanDerWaalsContact ND2-O 3.14Å
363	E	34.1	Very low	51.1	Low	162 Å²	162	107.4 Å²	107.4	76%	0.757	55%	0.552	S	S	*	*	S	Bend	trans	-82.7	-31.2	179.6	-66.9	-157.8	153	0	0	114.5
364	V	35.8	Very low	48.1	Very low	120 Å²	120	115.5 Å²	115.5	73%	0.727	59%	0.587	S	S	*	*	S	Bend	trans	-93.3	-23.8	-169.2	-174.6	0	0	0	0	114.4
365	K	34.2	Very low	45.1	Very low	154 Å²	154	116.3 Å²	116.3	67%	0.67	59%	0.593	S	S	*	*	H	α-helix	trans	-82.5	-13.6	-176.5	-78.9	-176.9	179.4	171.1	0	115.1	Q367	K365-Q367 VanDerWaalsContact C-N 3.35Å
366	Q	33	Very low	42.1	Very low	143 Å²	143	126.6 Å²	126.6	67%	0.668	63%	0.629	S	S	*	*	H	α-helix	trans	-74.8	-22	176.9	-67.6	-166.2	10.2	0	0	113.5
367	Q	33	Very low	39.3	Very low	171 Å²	171	129 Å²	129	80%	0.799	64%	0.637	S	S	*	*	H	α-helix	trans	-82	-28.2	178.2	-71.6	-172.8	1.9	0	0	113.7	K365	K365-Q367 VanDerWaalsContact C-N 3.35Å
368	Q	31.8	Very low	36.4	Very low	154 Å²	154	136.3 Å²	136.3	72%	0.72	68%	0.677	S	S	*	*	H	α-helix	trans	-85.1	-13.2	179.6	-74.5	-175	-4.9	0	0	114.5	K370 Q371	Q368-K370 PolarHBondContact O-N 2.83Å; Q368-Q371 PolarHBondContact O-N 2.84Å
369	L	31.1	Very low	33.9	Very low	156 Å²	156	141.4 Å²	141.4	82%	0.817	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	1.4	174	-100	147.5	0	0	0	114.4
370	K	31.5	Very low	32.1	Very low	191 Å²	191	143.7 Å²	143.7	83%	0.83	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-8.6	171.3	-79.7	-171.1	177.2	177.3	0	115.3	Q368	Q368-K370 PolarHBondContact O-N 2.83Å
371	Q	26.3	Very low	30.7	Very low	181 Å²	181	147.2 Å²	147.2	85%	0.846	73%	0.729	S	S	*	*	S	Bend	trans	-146.9	111.4	177.8	-73.2	-177.7	-4.7	0	0	110.7	Q368	Q368-Q371 PolarHBondContact O-N 2.84Å
372	G	26.2	Very low	29.7	Very low	75 Å²	75	149 Å²	149	77%	0.773	73%	0.731	S	S	*	*	S	Bend	trans	143.2	99.8	165.1	0	0	0	0	0	114.7
373	E	27.2	Very low	29	Very low	184 Å²	184	152.3 Å²	152.3	86%	0.86	76%	0.757	S	S	*	*			trans	60.2	99.6	148.6	-61.5	-172.4	149.8	0	0	118.8	S375	E373-S375 PolarHBondContact O-N 3.12Å
374	K	26.8	Very low	28.6	Very low	209 Å²	209	147.4 Å²	147.4	91%	0.909	74%	0.741	S	S	*	*			trans	-56.6	74.7	157	-66.8	174.1	177.6	172.4	0	110.6	R376	K374-R376 PolarHBondContact O-N 2.68Å; K374-R376 VanDerWaalsContact O-N 3.07Å
375	S	28	Very low	28.1	Very low	95 Å²	95	145.4 Å²	145.4	66%	0.664	73%	0.731	S	S	*	*			trans	-67.8	103.9	157.2	51.1	0	0	0	0	106.6	E373 I377	E373-S375 PolarHBondContact O-N 3.12Å; S375-I377 PolarHBondContact O-N 2.97Å
376	R	25.5	Very low	27.7	Very low	239 Å²	239	146.9 Å²	146.9	90%	0.902	74%	0.741	S	S	*	*			trans	-65.8	74.4	174	-78.4	177.1	163.3	174.5	-3.9	109.3	K374	K374-R376 PolarHBondContact O-N 2.68Å; K374-R376 VanDerWaalsContact O-N 3.07Å
377	I	27.2	Very low	27.4	Very low	127 Å²	127	151 Å²	151	65%	0.651	75%	0.752	S	S	*	*			trans	-106	106.2	153	-55.5	179.2	0	0	0	103	S375 I379	S375-I377 PolarHBondContact O-N 2.97Å; I377-I379 HydrophobicContact CB-CG1 4.24Å; I377-I379 HydrophobicContact CG2-CD1 4.45Å; I377-I379 HydrophobicContact CG2-CG1 3.73Å; I377-I379 PolarHBondContact O-N 2.89Å
378	N	24.7	Very low	27.1	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	74%	0.738	S	S	*	*			trans	-64.3	74.3	170.2	-74.5	-22.9	0	0	0	107.7	L380	N378-L380 PolarHBondContact O-N 3.27Å
379	I	29.8	Very low	26.8	Very low	133 Å²	133	148.7 Å²	148.7	68%	0.682	74%	0.744	S	S	*	*			trans	-69.4	104.7	166.2	-60.3	176	0	0	0	103.6	I377 K381	I377-I379 HydrophobicContact CB-CG1 4.24Å; I377-I379 HydrophobicContact CG2-CD1 4.45Å; I377-I379 HydrophobicContact CG2-CG1 3.73Å; I377-I379 PolarHBondContact O-N 2.89Å; I379-K381 PolarHBondContact O-N 2.93Å
380	L	27.7	Very low	26.6	Very low	107 Å²	107	149.2 Å²	149.2	56%	0.56	74%	0.74	S	S	*	*			trans	-44.5	107.5	168.5	-70.7	156.6	0	0	0	107.2	A46 N378 F382	A46-L380 HydrophobicContact CB-CD2 4.28Å; N378-L380 PolarHBondContact O-N 3.27Å; L380-F382 HydrophobicContact CB-CD2 3.78Å; L380-F382 HydrophobicContact CB-CE2 3.6Å; L380-F382 HydrophobicContact CD1-CE2 4.02Å; L380-F382 HydrophobicContact CG-CE2 4.28Å; L380-F382 PolarHBondContact O-N 3.09Å
381	K	24.6	Very low	26.3	Very low	203 Å²	203	142.7 Å²	142.7	88%	0.883	73%	0.726	S	S	*	*			trans	-68.4	84.4	171.1	-81	-177.4	172.7	-175.6	0	107.1	I379 S383	I379-K381 PolarHBondContact O-N 2.93Å; K381-S383 PolarHBondContact O-N 2.7Å
382	F	25.4	Very low	26.4	Very low	119 Å²	119	143.9 Å²	143.9	52%	0.522	73%	0.732	S	S	.	*			trans	-79.2	93.1	161.3	-75.7	-75.9	0	0	0	107.1	L380 S384	L380-F382 HydrophobicContact CB-CD2 3.78Å; L380-F382 HydrophobicContact CB-CE2 3.6Å; L380-F382 HydrophobicContact CD1-CE2 4.02Å; L380-F382 HydrophobicContact CG-CE2 4.28Å; L380-F382 PolarHBondContact O-N 3.09Å; F382-S384 PolarHBondContact O-N 3.26Å
383	S	25.3	Very low	26.8	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	72%	0.719	S	S	*	*			trans	-84.9	90.1	165.9	54.8	0	0	0	0	107.8	K381	K381-S383 PolarHBondContact O-N 2.7Å
384	S	25.5	Very low	27.1	Very low	59 Å²	59	143.1 Å²	143.1	41%	0.413	71%	0.71	S	S	.	*			trans	-154.2	76.1	171.5	58.5	0	0	0	0	111.9	F382	F382-S384 PolarHBondContact O-N 3.26Å
385	C	24.7	Very low	28	Very low	78 Å²	78	136.8 Å²	136.8	53%	0.527	69%	0.689	S	S	.	*			trans	-120.9	98.9	143.7	-88.4	0	0	0	0	106.3	Y387	C385-Y387 PolarHBondContact O-N 2.85Å; C385-Y387 VanDerWaalsContact O-N 3.09Å
386	E	26	Very low	29.6	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.864	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	20.1	173.4	-93.6	-174.6	161	0	0	113.3
387	Y	26.6	Very low	32.1	Very low	229 Å²	229	128 Å²	128	90%	0.898	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	6.9	166.4	-81.7	-73.5	0	0	0	114	C385	C385-Y387 PolarHBondContact O-N 2.85Å; C385-Y387 VanDerWaalsContact O-N 3.09Å
388	L	26.6	Very low	34.8	Very low	99 Å²	99	123.5 Å²	123.5	52%	0.518	63%	0.628	S	S	.	*			trans	-104.9	80.7	167.5	-80.8	150.8	0	0	0	108.1	K390 A393	L388-K390 PolarHBondContact O-N 3.26Å; L388-A393 HydrophobicContact CD2-CB 3.51Å
389	E	25.7	Very low	37.7	Very low	178 Å²	178	116 Å²	116	83%	0.832	59%	0.588	S	S	*	*			trans	-49.9	140.6	160.3	-76	-163.8	144.3	0	0	109	G391	E389-G391 VanDerWaalsContact C-N 3.31Å; E389-G391 PolarHBondContact O-N 3.06Å
390	K	26.9	Very low	40.3	Very low	168 Å²	168	111.2 Å²	111.2	73%	0.73	57%	0.565	S	S	*	*	S	Bend	trans	-51.2	89.9	-178.4	-68.5	175.9	174.6	-179.3	0	111.3	L388 Y826	L388-K390 PolarHBondContact O-N 3.26Å; K390-Y826 PolarHBondContact NZ-OH 3.34Å; K390-Y826 VanDerWaalsContact NZ-OH 3.14Å
391	G	25.6	Very low	43.1	Very low	53 Å²	53	107.9 Å²	107.9	55%	0.546	55%	0.553	S	S	.	*	S	Bend	trans	-161.6	139.7	171.4	0	0	0	0	0	106.8	E389 A393	E389-G391 VanDerWaalsContact C-N 3.31Å; E389-G391 PolarHBondContact O-N 3.06Å; G391-A393 PolarHBondContact O-N 3.29Å
392	E	28.3	Very low	46.1	Very low	206 Å²	206	98.2 Å²	98.2	96%	0.963	51%	0.511	S	S	*	.			trans	-63.1	76.3	-174.8	-63	175.3	148.1	0	0	111.9	R394	E392-R394 PolarHBondContact O-N 3.49Å
393	A	34.2	Very low	49.1	Very low	61 Å²	61	92.6 Å²	92.6	50%	0.504	49%	0.486	S	S	.	.			trans	-92	106.1	-176.9	0	0	0	0	0	110.3	L388 G391 T395	L388-A393 HydrophobicContact CD2-CB 3.51Å; G391-A393 PolarHBondContact O-N 3.29Å; A393-T395 PolarHBondContact O-N 2.87Å; A393-T395 VanDerWaalsContact O-N 3.15Å
394	R	33.3	Very low	52	Low	182 Å²	182	90.3 Å²	90.3	69%	0.687	46%	0.464	S	S	*	.			trans	-64.7	105.4	165.6	-58.7	175.2	179.2	-172.6	-3.2	107.5	E392 H396	E392-R394 PolarHBondContact O-N 3.49Å; R394-H396 VanDerWaalsContact C-N 3.32Å; R394-H396 VanDerWaalsContact CB-CD2 3.44Å; R394-H396 WeakPolarHBondContact CB-CD2 3.39Å; R394-H396 WeakPolarHBondContact CB-NE2 3.23Å; R394-H396 PolarHBondContact O-CD2 3.3Å; R394-H396 VanDerWaalsContact O-CD2 3.28Å; R394-H396 PolarHBondContact O-N 3.14Å
395	T	47.1	Very low	54.9	Low	76 Å²	76	88.6 Å²	88.6	47%	0.466	45%	0.452	S	S	.	.			trans	-71.9	87.2	176	52.4	0	0	0	0	109	N362 A393	N362-T395 PolarHBondContact ND2-O 2.92Å; N362-T395 VanDerWaalsContact ND2-O 3.14Å; A393-T395 PolarHBondContact O-N 2.87Å; A393-T395 VanDerWaalsContact O-N 3.15Å
396	H	60.8	Low	57.8	Low	85 Å²	85	85 Å²	85	39%	0.394	43%	0.428	S	S	.	.			trans	-86.8	106.7	175.5	-70.2	-80.8	0	0	0	108.5	R394 S398	R394-H396 VanDerWaalsContact C-N 3.32Å; R394-H396 VanDerWaalsContact CB-CD2 3.44Å; R394-H396 WeakPolarHBondContact CB-CD2 3.39Å; R394-H396 WeakPolarHBondContact CB-NE2 3.23Å; R394-H396 PolarHBondContact O-CD2 3.3Å; R394-H396 VanDerWaalsContact O-CD2 3.28Å; R394-H396 PolarHBondContact O-N 3.14Å; H396-S398 PolarHBondContact O-N 2.89Å
397	Q	77.3	Confident	60.6	Low	64 Å²	64	79.8 Å²	79.8	30%	0.299	41%	0.409	S	S	.	.			trans	-66.3	130.7	171.5	-56.5	-172.5	-16.6	0	0	108.4	E333 H335	E333-Q397 WeakPolarHBondContact O-CG 3.38Å; H335-Q397 VanDerWaalsContact N-NE2 3.2Å; H335-Q397 PolarHBondContact O-NE2 3.18Å
398	S	84.9	Confident	62.9	Low	34 Å²	34	72.9 Å²	72.9	24%	0.238	39%	0.394	C	S	.	.			trans	-114.3	109.4	178.4	173.6	0	0	0	0	110.6	G332 H396 V400 A401 F402	G332-S398 PolarHBondContact O-N 3.38Å; G332-S398 VanDerWaalsContact O-N 3.09Å; H396-S398 PolarHBondContact O-N 2.89Å; S398-V400 VanDerWaalsContact C-N 3.25Å; S398-V400 PolarHBondContact O-N 3.4Å; S398-A401 PolarHBondContact O-N 2.88Å; S398-A401 WeakPolarHBondContact OG-CB 3.3Å; S398-A401 PolarHBondContact OG-N 3.25Å; S398-F402 PolarHBondContact O-N 2.9Å
399	A	85	Confident	65.2	Low	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-37.7	173.6	0	0	0	0	0	111.5	V289 F357 E359 F402 L403	V289-A399 WeakPolarHBondContact O-CB 3.39Å; F357-A399 HydrophobicContact CB-CB 4.12Å; E359-A399 HydrophobicContact CG-CB 4.48Å; A399-F402 PolarHBondContact O-N 3.45Å; A399-L403 WeakPolarHBondContact O-CG 3.5Å; A399-L403 PolarHBondContact O-N 3.3Å
400	V	85.5	Confident	68	Low	31 Å²	31	67.6 Å²	67.6	19%	0.188	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-47	175.9	168	0	0	0	0	111.6	L235 V289 E359 S398 F402 L403 L404	L235-V400 HydrophobicContact CD1-CG1 4.02Å; L235-V400 HydrophobicContact CD2-CG2 4.2Å; V289-V400 HydrophobicContact CB-CG2 3.86Å; V289-V400 HydrophobicContact CG1-CG2 4.2Å; V289-V400 HydrophobicContact CG2-CG2 4.21Å; E359-V400 VanDerWaalsContact OE1-CB 3.23Å; E359-V400 WeakPolarHBondContact OE1-CB 3.49Å; E359-V400 WeakPolarHBondContact OE1-CG2 3.38Å; S398-V400 VanDerWaalsContact C-N 3.25Å; S398-V400 PolarHBondContact O-N 3.4Å; V400-F402 VanDerWaalsContact C-N 3.29Å; V400-F402 PolarHBondContact O-N 3.35Å; V400-L403 PolarHBondContact O-N 3.34Å; V400-L404 HydrophobicContact CG1-CD1 3.89Å; V400-L404 HydrophobicContact CG1-CG 4.32Å; V400-L404 WeakPolarHBondContact O-CB 3.24Å; V400-L404 VanDerWaalsContact O-CG 3.3Å; V400-L404 WeakPolarHBondContact O-CG 3.28Å; V400-L404 PolarHBondContact O-N 3.08Å
401	A	85.2	Confident	70.9	Confident	38 Å²	38	60.2 Å²	60.2	31%	0.314	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-38.9	177.4	0	0	0	0	0	111.8	S398 S405	S398-A401 PolarHBondContact O-N 2.88Å; S398-A401 WeakPolarHBondContact OG-CB 3.3Å; S398-A401 PolarHBondContact OG-N 3.25Å; A401-S405 PolarHBondContact O-N 3.27Å; A401-S405 VanDerWaalsContact O-N 3.17Å
402	F	89	Confident	74	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-51.1	173.5	177.4	-126.2	0	0	0	111.7	I269 V293 L330 P331 F357 S398 A399 V400 L404 S405 T406 F411	I269-F402 HydrophobicContact CD1-CE1 3.75Å; I269-F402 HydrophobicContact CD1-CZ 3.52Å; I269-F402 HydrophobicContact CG1-CE1 4.23Å; I269-F402 HydrophobicContact CG1-CZ 4.25Å; I269-F402 HydrophobicContact CG2-CE1 4.35Å; V293-F402 HydrophobicContact CG2-CE1 3.81Å; L330-F402 HydrophobicContact CB-CD2 4.01Å; L330-F402 HydrophobicContact CB-CE2 3.82Å; L330-F402 HydrophobicContact CD1-CE2 4.01Å; L330-F402 HydrophobicContact CD1-CZ 3.92Å; L330-F402 HydrophobicContact CD2-CE2 4.4Å; L330-F402 HydrophobicContact CG-CE2 4.3Å; P331-F402 HydrophobicContact CB-CD2 4.46Å; P331-F402 WeakPolarHBondContact O-CB 3.47Å; F357-F402 HydrophobicContact CD2-CD1 4.17Å; F357-F402 HydrophobicContact CD2-CE1 4.36Å; F357-F402 HydrophobicContact CE2-CE1 4.47Å; S398-F402 PolarHBondContact O-N 2.9Å; A399-F402 PolarHBondContact O-N 3.45Å; V400-F402 VanDerWaalsContact C-N 3.29Å; V400-F402 PolarHBondContact O-N 3.35Å; F402-L404 PolarHBondContact O-N 3.31Å; F402-S405 WeakPolarHBondContact O-CB 3.35Å; F402-S405 PolarHBondContact O-N 3.3Å; F402-S405 VanDerWaalsContact O-N 3.08Å; F402-S405 PolarHBondContact O-OG 2.68Å; F402-T406 PolarHBondContact O-N 3Å; F402-F411 HydrophobicContact CE2-CE2 4.21Å; F402-F411 HydrophobicContact CE2-CZ 4.23Å
403	L	87.3	Confident	77	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-39.8	178.3	-70.7	173.4	0	0	0	112.7	L235 F245 I269 P271 V289 A291 A399 V400 S405 T406	L235-L403 HydrophobicContact CD1-CB 4.44Å; F245-L403 HydrophobicContact CE1-CB 4.03Å; F245-L403 VanDerWaalsContact CE1-O 3.23Å; F245-L403 WeakPolarHBondContact CE1-O 3.5Å; F245-L403 HydrophobicContact CE2-CB 4.49Å; F245-L403 HydrophobicContact CZ-CB 3.93Å; F245-L403 WeakPolarHBondContact CZ-O 3.24Å; I269-L403 HydrophobicContact CG2-CD2 4.01Å; P271-L403 HydrophobicContact CB-CD1 4.03Å; P271-L403 HydrophobicContact CB-CD2 3.95Å; V289-L403 HydrophobicContact CG1-CD1 3.65Å; A291-L403 HydrophobicContact CB-CD2 4.31Å; A291-L403 HydrophobicContact CB-CG 4.47Å; A399-L403 WeakPolarHBondContact O-CG 3.5Å; A399-L403 PolarHBondContact O-N 3.3Å; V400-L403 PolarHBondContact O-N 3.34Å; L403-S405 PolarHBondContact O-N 2.69Å; L403-T406 PolarHBondContact O-N 2.98Å; L403-T406 VanDerWaalsContact O-N 3.08Å; L403-T406 PolarHBondContact O-OG1 2.95Å
404	L	87	Confident	79.8	Confident	70 Å²	70	49.3 Å²	49.3	37%	0.366	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-32.7	175.6	-71.5	173.7	0	0	0	112	L235 I243 V400 F402 T406 V407	L235-L404 HydrophobicContact CD1-CD2 3.95Å; L235-L404 HydrophobicContact CD1-CG 4.05Å; I243-L404 HydrophobicContact CD1-CD2 3.68Å; V400-L404 HydrophobicContact CG1-CD1 3.89Å; V400-L404 HydrophobicContact CG1-CG 4.32Å; V400-L404 WeakPolarHBondContact O-CB 3.24Å; V400-L404 VanDerWaalsContact O-CG 3.3Å; V400-L404 WeakPolarHBondContact O-CG 3.28Å; V400-L404 PolarHBondContact O-N 3.08Å; F402-L404 PolarHBondContact O-N 3.31Å; L404-T406 VanDerWaalsContact C-N 3.28Å; L404-T406 PolarHBondContact O-N 3.34Å; L404-V407 WeakPolarHBondContact O-CB 3.44Å; L404-V407 WeakPolarHBondContact O-CG2 3.41Å; L404-V407 PolarHBondContact O-N 2.75Å
405	S	86.1	Confident	82.7	Confident	23 Å²	23	40.7 Å²	40.7	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-26.4	175.3	82	0	0	0	0	113.3	P331 A401 F402 L403 V407 S408	P331-S405 VanDerWaalsContact CB-OG 3.26Å; P331-S405 WeakPolarHBondContact CB-OG 3.06Å; P331-S405 WeakPolarHBondContact CG-OG 3.41Å; A401-S405 PolarHBondContact O-N 3.27Å; A401-S405 VanDerWaalsContact O-N 3.17Å; F402-S405 WeakPolarHBondContact O-CB 3.35Å; F402-S405 PolarHBondContact O-N 3.3Å; F402-S405 VanDerWaalsContact O-N 3.08Å; F402-S405 PolarHBondContact O-OG 2.68Å; L403-S405 PolarHBondContact O-N 2.69Å; S405-V407 PolarHBondContact O-N 2.83Å; S405-S408 PolarHBondContact O-N 2.84Å
406	T	85.6	Confident	85	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-73	-17.4	178.6	72.8	0	0	0	0	112.3	F251 I269 F402 L403 L404 S408 F411	F251-T406 HydrophobicContact CE2-CG2 4.01Å; F251-T406 HydrophobicContact CZ-CG2 4.19Å; I269-T406 HydrophobicContact CD1-CG2 3.77Å; F402-T406 PolarHBondContact O-N 3Å; L403-T406 PolarHBondContact O-N 2.98Å; L403-T406 VanDerWaalsContact O-N 3.08Å; L403-T406 PolarHBondContact O-OG1 2.95Å; L404-T406 VanDerWaalsContact C-N 3.28Å; L404-T406 PolarHBondContact O-N 3.34Å; T406-S408 VanDerWaalsContact C-N 3.27Å; T406-S408 PolarHBondContact O-N 2.88Å; T406-F411 HydrophobicContact CG2-CD1 4.47Å; T406-F411 HydrophobicContact CG2-CE1 4.17Å
407	V	83.8	Confident	86.5	Confident	75 Å²	75	34.3 Å²	34.3	46%	0.455	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.7	178.3	-175.6	0	0	0	0	111.7	I243 F245 L404 S405 S409	I243-V407 HydrophobicContact CD1-CG1 4.47Å; I243-V407 HydrophobicContact CD1-CG2 4.09Å; I243-V407 HydrophobicContact CG2-CG2 3.93Å; F245-V407 HydrophobicContact CE1-CG2 3.75Å; F245-V407 HydrophobicContact CZ-CG2 3.74Å; L404-V407 WeakPolarHBondContact O-CB 3.44Å; L404-V407 WeakPolarHBondContact O-CG2 3.41Å; L404-V407 PolarHBondContact O-N 2.75Å; S405-V407 PolarHBondContact O-N 2.83Å; V407-S409 PolarHBondContact O-N 3.14Å
408	S	76.7	Confident	87.2	Confident	84 Å²	84	34.4 Å²	34.4	59%	0.587	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	10.1	-178	-61.1	0	0	0	0	114.5	S405 T406 K410	S405-S408 PolarHBondContact O-N 2.84Å; T406-S408 VanDerWaalsContact C-N 3.27Å; T406-S408 PolarHBondContact O-N 2.88Å; S408-K410 PolarHBondContact O-N 3.27Å
409	S	74.3	Confident	87.4	Confident	64 Å²	64	36.5 Å²	36.5	45%	0.448	21%	0.212	S	C	.	.	S	Bend	trans	59.6	-25.9	-169.7	72	0	0	0	0	115.4	Q210 V407	Q210-S409 PolarHBondContact N-O 2.88Å; V407-S409 PolarHBondContact O-N 3.14Å
410	K	84.9	Confident	87.7	Confident	102 Å²	102	37.4 Å²	37.4	44%	0.443	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.6	179.6	-51.4	-173.3	-179.7	-162.4	0	110.8	Q207 A208 N209 S408	Q207-K410 HydrophobicContact CG-CB 4.21Å; Q207-K410 HydrophobicContact CG-CD 4.42Å; A208-K410 WeakPolarHBondContact O-CA 3.31Å; N209-K410 WeakPolarHBondContact OD1-CD 3.32Å; N209-K410 WeakPolarHBondContact OD1-CE 2.83Å; N209-K410 VanDerWaalsContact OD1-CG 3.31Å; N209-K410 WeakPolarHBondContact OD1-CG 3.38Å; N209-K410 PolarHBondContact OD1-NZ 3.39Å; S408-K410 PolarHBondContact O-N 3.27Å
411	F	88.1	Confident	87.8	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.057	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	164.6	169.6	66.7	-91.8	0	0	0	111	A208 F251 I267 L330 P331 F402 T406 I413	A208-F411 HydrophobicContact CB-CD1 4.47Å; A208-F411 HydrophobicContact CB-CE1 4.14Å; A208-F411 HydrophobicContact CB-CE2 4.21Å; A208-F411 HydrophobicContact CB-CZ 4Å; A208-F411 PolarHBondContact N-O 2.65Å; A208-F411 PolarHBondContact O-N 2.98Å; F251-F411 HydrophobicContact CD1-CD1 4.13Å; F251-F411 AromaticContact CD1-CE1 3.53Å; F251-F411 HydrophobicContact CD1-CE1 3.53Å; F251-F411 HydrophobicContact CD1-CZ 4.41Å; F251-F411 AromaticContact CD2-CE1 3.93Å; F251-F411 HydrophobicContact CD2-CE1 3.93Å; F251-F411 AromaticContact CE1-CD1 3.86Å; F251-F411 HydrophobicContact CE1-CD1 3.86Å; F251-F411 AromaticContact CE1-CE1 3.56Å; F251-F411 HydrophobicContact CE1-CE1 3.56Å; F251-F411 AromaticContact CE2-CE1 3.92Å; F251-F411 HydrophobicContact CE2-CE1 3.92Å; F251-F411 AromaticContact CG-CE1 3.75Å; F251-F411 HydrophobicContact CG-CE1 3.75Å; F251-F411 HydrophobicContact CG-CZ 4.32Å; F251-F411 HydrophobicContact CZ-CD1 4.22Å; F251-F411 AromaticContact CZ-CE1 3.79Å; F251-F411 HydrophobicContact CZ-CE1 3.79Å; I267-F411 HydrophobicContact CD1-CZ 4.27Å; L330-F411 HydrophobicContact CD2-CE2 4.16Å; P331-F411 HydrophobicContact CG-CB 4.04Å; P331-F411 HydrophobicContact CG-CD2 3.72Å; P331-F411 HydrophobicContact CG-CG 4.16Å; F402-F411 HydrophobicContact CE2-CE2 4.21Å; F402-F411 HydrophobicContact CE2-CZ 4.23Å; T406-F411 HydrophobicContact CG2-CD1 4.47Å; T406-F411 HydrophobicContact CG2-CE1 4.17Å; F411-I413 HydrophobicContact CD2-CG1 4.02Å; F411-I413 HydrophobicContact CE2-CD1 3.97Å; F411-I413 HydrophobicContact CE2-CG1 3.54Å; F411-I413 HydrophobicContact CZ-CD1 4.48Å; F411-I413 HydrophobicContact CZ-CG1 4.48Å
412	C	88.8	Confident	88	Confident	60 Å²	60	35.8 Å²	35.8	41%	0.405	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.1	-178.3	-177.7	0	0	0	0	110.7	L206	L206-C412 CarbonylContact O-C 3.57Å; L206-C412 WeakPolarHBondContact O-CA 3.33Å
413	I	91.5	Very high	88	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.9	173.1	-57.3	161.5	0	0	0	107.7	K205 L206 A208 T253 L265 I267 A328 L330 F411 L415	K205-I413 CarbonylContact C-O 3.59Å; K205-I413 VanDerWaalsContact CA-O 3.24Å; K205-I413 WeakPolarHBondContact CA-O 3.33Å; L206-I413 PolarHBondContact N-O 3.46Å; L206-I413 PolarHBondContact O-N 2.86Å; A208-I413 HydrophobicContact CB-CD1 3.62Å; A208-I413 HydrophobicContact CB-CG1 4.35Å; T253-I413 HydrophobicContact CG2-CD1 3.8Å; L265-I413 HydrophobicContact CD2-CD1 4.07Å; I267-I413 HydrophobicContact CD1-CD1 3.41Å; I267-I413 VanDerWaalsContact CD1-CD1 3.41Å; I267-I413 HydrophobicContact CD1-CG1 4.24Å; I267-I413 HydrophobicContact CG1-CD1 4.39Å; A328-I413 HydrophobicContact CB-CG2 4.34Å; L330-I413 HydrophobicContact CD2-CB 4.47Å; L330-I413 HydrophobicContact CD2-CD1 4.44Å; L330-I413 HydrophobicContact CD2-CG1 3.84Å; L330-I413 HydrophobicContact CD2-CG2 4.03Å; F411-I413 HydrophobicContact CD2-CG1 4.02Å; F411-I413 HydrophobicContact CE2-CD1 3.97Å; F411-I413 HydrophobicContact CE2-CG1 3.54Å; F411-I413 HydrophobicContact CZ-CD1 4.48Å; F411-I413 HydrophobicContact CZ-CG1 4.48Å; I413-L415 HydrophobicContact CG2-CD2 4.22Å; I413-L415 HydrophobicContact CG2-CG 4.4Å
414	T	93.4	Very high	88	Confident	31 Å²	31	35.9 Å²	35.9	19%	0.19	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.1	168.1	-53.3	0	0	0	0	109.3	K205 A328 Y329	K205-T414 HydrophobicContact CG-CG2 3.93Å; A328-T414 WeakPolarHBondContact CA-O 3.04Å; Y329-T414 HydrophobicContact CD2-CG2 4.44Å; Y329-T414 PolarHBondContact N-O 3.29Å; Y329-T414 PolarHBondContact O-N 3.21Å
415	L	94.5	Very high	87.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.4	171.4	-67.7	-177.1	0	0	0	110.2	C203 I204 L206 F256 L265 N327 A328 M339 I413 M417	C203-L415 CarbonylContact C-O 3.59Å; C203-L415 WeakPolarHBondContact CA-O 3.25Å; I204-L415 HydrophobicContact CB-CB 4.45Å; I204-L415 PolarHBondContact N-O 3.17Å; I204-L415 PolarHBondContact O-N 2.93Å; L206-L415 HydrophobicContact CD1-CD1 3.49Å; L206-L415 VanDerWaalsContact CD1-CD1 3.49Å; L206-L415 HydrophobicContact CD1-CG 4.11Å; F256-L415 HydrophobicContact CE1-CD1 4.3Å; F256-L415 HydrophobicContact CZ-CD1 3.92Å; L265-L415 HydrophobicContact CD1-CD1 3.77Å; L265-L415 HydrophobicContact CD1-CD2 3.71Å; L265-L415 HydrophobicContact CD1-CG 4.22Å; N327-L415 CarbonylContact O-C 3.54Å; N327-L415 WeakPolarHBondContact O-CA 3.33Å; A328-L415 HydrophobicContact CB-CD2 3.6Å; M339-L415 HydrophobicContact CE-CD2 4.13Å; I413-L415 HydrophobicContact CG2-CD2 4.22Å; I413-L415 HydrophobicContact CG2-CG 4.4Å; L415-M417 HydrophobicContact CB-SD 4.45Å
416	E	95	Very high	87.6	Confident	16 Å²	16	32.3 Å²	32.3	8%	0.075	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.1	168.5	171.7	-172.5	-133.6	0	0	108.6	H201 C326 N327 Y329 I418	H201-E416 IonicContact CD2-OE1 3.08Å; H201-E416 PolarHBondContact CD2-OE1 3.4Å; H201-E416 IonicContact CE1-OE1 3.96Å; H201-E416 IonicContact NE2-OE1 2.89Å; H201-E416 PolarHBondContact NE2-OE1 3.44Å; C326-E416 CarbonylContact C-O 3.52Å; C326-E416 WeakPolarHBondContact CA-O 3.3Å; C326-E416 WeakPolarHBondContact CB-O 3.15Å; N327-E416 HydrophobicContact CB-CB 4.09Å; N327-E416 WeakPolarHBondContact CB-OE2 3.38Å; N327-E416 PolarHBondContact N-O 2.81Å; N327-E416 PolarHBondContact ND2-OE2 3.3Å; N327-E416 PolarHBondContact O-N 3.01Å; Y329-E416 HydrophobicContact CE2-CB 4.01Å; Y329-E416 PolarHBondContact OH-OE2 3.04Å; E416-I418 HydrophobicContact CG-CG1 4.14Å
417	M	93.7	Very high	87.2	Confident	11 Å²	11	36.8 Å²	36.8	5%	0.054	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.5	-177.8	-53.4	-63.9	-80.7	0	0	108.9	V202 I204 Y258 L324 C326 L415	V202-M417 HydrophobicContact CB-CB 4.14Å; V202-M417 HydrophobicContact CG1-CB 4.27Å; V202-M417 HydrophobicContact CG1-CG 4.22Å; V202-M417 PolarHBondContact O-N 2.83Å; I204-M417 HydrophobicContact CD1-CG 3.94Å; I204-M417 HydrophobicContact CD1-SD 4.37Å; I204-M417 HydrophobicContact CG1-CG 4.33Å; Y258-M417 HydrophobicContact CD1-CE 3.37Å; Y258-M417 HydrophobicContact CD2-CE 3.94Å; Y258-M417 HydrophobicContact CD2-CG 4.26Å; Y258-M417 HydrophobicContact CE1-CE 3.37Å; Y258-M417 HydrophobicContact CE2-CB 3.91Å; Y258-M417 HydrophobicContact CE2-CE 3.94Å; Y258-M417 HydrophobicContact CE2-CG 3.9Å; Y258-M417 HydrophobicContact CG-CE 3.66Å; L324-M417 HydrophobicContact CD1-CE 3.49Å; L324-M417 VanDerWaalsContact CD1-CE 3.49Å; L324-M417 HydrophobicContact CD2-CE 3.89Å; L324-M417 HydrophobicContact CG-CE 4.28Å; C326-M417 HydrophobicContact CB-SD 3.95Å; L415-M417 HydrophobicContact CB-SD 4.45Å
418	I	91.1	Very high	86.6	Confident	67 Å²	67	34.1 Å²	34.1	34%	0.344	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-41.4	-170.2	-63.4	167.1	0	0	0	110.9	L325 N327 L338 E416	L325-I418 HydrophobicContact CB-CB 4.46Å; L325-I418 WeakPolarHBondContact O-CB 3.1Å; L325-I418 PolarHBondContact O-N 3.3Å; N327-I418 HydrophobicContact CB-CD1 4.16Å; N327-I418 WeakPolarHBondContact ND2-CD1 3.42Å; L338-I418 HydrophobicContact CD1-CD1 3.47Å; L338-I418 VanDerWaalsContact CD1-CD1 3.47Å; E416-I418 HydrophobicContact CG-CG1 4.14Å
419	F	88.9	Confident	86.1	Confident	77 Å²	77	33.7 Å²	33.7	34%	0.338	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	140.1	-172.3	-171.5	-114.2	0	0	0	112.1	L324 L325 E421	L324-F419 CarbonylContact C-O 3.5Å; L324-F419 WeakPolarHBondContact CA-O 3.12Å; L324-F419 WeakPolarHBondContact CD1-O 3.26Å; L325-F419 HydrophobicContact CB-CB 3.8Å; L325-F419 HydrophobicContact CD1-CB 3.73Å; L325-F419 HydrophobicContact CD1-CD1 3.81Å; L325-F419 HydrophobicContact CD1-CG 4.07Å; L325-F419 HydrophobicContact CG-CB 3.83Å; L325-F419 HydrophobicContact CG-CD1 3.98Å; L325-F419 HydrophobicContact CG-CG 4.36Å; L325-F419 PolarHBondContact N-O 2.87Å; L325-F419 PolarHBondContact O-N 2.92Å; L325-F419 VanDerWaalsContact O-N 3.07Å; F419-E421 HydrophobicContact CD1-CG 4.15Å; F419-E421 HydrophobicContact CE1-CB 4.46Å; F419-E421 HydrophobicContact CE1-CG 3.26Å; F419-E421 WeakPolarHBondContact CE1-OE1 3.45Å; F419-E421 HydrophobicContact CE2-CG 4.21Å; F419-E421 HydrophobicContact CZ-CG 3.3Å; F419-E421 WeakPolarHBondContact CZ-OE1 3.47Å
420	Y	91.3	Very high	85.6	Confident	19 Å²	19	32.9 Å²	32.9	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.1	178.9	-176.7	-95.9	0	0	0	110.2	E77 Y258 A259 W263 T322 R323 L324 R422	E77-Y420 HydrophobicContact CG-CD1 3.59Å; E77-Y420 HydrophobicContact CG-CE1 4.35Å; E77-Y420 HydrophobicContact CG-CG 3.93Å; E77-Y420 WeakPolarHBondContact OE2-CD1 3.39Å; Y258-Y420 HydrophobicContact CD1-CD2 4.26Å; Y258-Y420 HydrophobicContact CD1-CE2 4.47Å; Y258-Y420 AromaticContact CE1-CD2 3.65Å; Y258-Y420 HydrophobicContact CE1-CD2 3.65Å; Y258-Y420 HydrophobicContact CE1-CE2 4.27Å; Y258-Y420 AromaticContact CE1-CG 3.96Å; Y258-Y420 HydrophobicContact CE1-CG 3.96Å; A259-Y420 HydrophobicContact CB-CD1 3.97Å; A259-Y420 HydrophobicContact CB-CD2 4.26Å; A259-Y420 HydrophobicContact CB-CE1 3.43Å; A259-Y420 VanDerWaalsContact CB-CE1 3.43Å; A259-Y420 HydrophobicContact CB-CE2 3.77Å; A259-Y420 HydrophobicContact CB-CG 4.34Å; W263-Y420 HydrophobicContact CH2-CE2 4.36Å; W263-Y420 AromaticContact CZ2-CE2 3.88Å; W263-Y420 HydrophobicContact CZ2-CE2 3.88Å; T322-Y420 HydrophobicContact CG2-CD2 3.92Å; T322-Y420 HydrophobicContact CG2-CE2 3.23Å; R323-Y420 CarbonylContact O-C 3.53Å; R323-Y420 WeakPolarHBondContact O-CA 2.79Å; L324-Y420 HydrophobicContact CD1-CD2 3.8Å; Y420-R422 HydrophobicContact CD1-CG 4.43Å; Y420-R422 HydrophobicContact CE1-CG 3.54Å
421	E	88.6	Confident	84	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.028	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.1	171.8	-63.1	176.3	143.9	0	0	110.1	T322 R323 F419 L423 R516 Q650	T322-E421 WeakPolarHBondContact CA-O 3.48Å; R323-E421 HydrophobicContact CB-CB 4.26Å; R323-E421 WeakPolarHBondContact CD-OE2 3.42Å; R323-E421 IonicContact CZ-OE2 3.43Å; R323-E421 PolarHBondContact N-O 2.94Å; R323-E421 IonicContact NE-OE2 2.75Å; R323-E421 IonicContact NH1-OE2 3.93Å; R323-E421 PolarHBondContact NH1-OE2 3.39Å; R323-E421 PolarHBondContact O-N 2.79Å; F419-E421 HydrophobicContact CD1-CG 4.15Å; F419-E421 HydrophobicContact CE1-CB 4.46Å; F419-E421 HydrophobicContact CE1-CG 3.26Å; F419-E421 WeakPolarHBondContact CE1-OE1 3.45Å; F419-E421 HydrophobicContact CE2-CG 4.21Å; F419-E421 HydrophobicContact CZ-CG 3.3Å; F419-E421 WeakPolarHBondContact CZ-OE1 3.47Å; E421-L423 HydrophobicContact CB-CD2 4.17Å; E421-L423 HydrophobicContact CB-CG 4.32Å; E421-R516 IonicContact OE1-NH1 3.67Å; E421-R516 PolarHBondContact OE1-NH1 3.03Å; E421-R516 IonicContact OE2-NH1 3.91Å; E421-Q650 HydrophobicContact CB-CG 4.49Å; E421-Q650 VanDerWaalsContact CD-NE2 3.28Å; E421-Q650 HydrophobicContact CG-CG 4.4Å; E421-Q650 VanDerWaalsContact CG-NE2 3.35Å; E421-Q650 PolarHBondContact OE1-NE2 2.82Å; E421-Q650 PolarHBondContact OE1-OE1 3.08Å
422	R	89	Confident	82	Confident	29 Å²	29	37 Å²	37	11%	0.109	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128	164.9	-48.4	177.4	-158.5	-138.4	-11.6	108.6	Q74 E77 A259 Y420 P447 F448 Q650 W651	Q74-R422 VanDerWaalsContact NE2-NH2 3.18Å; E77-R422 IonicContact OE2-CZ 3.8Å; E77-R422 IonicContact OE2-NE 2.71Å; E77-R422 IonicContact OE2-NH2 3.26Å; E77-R422 PolarHBondContact OE2-NH2 2.73Å; E77-R422 VanDerWaalsContact OE2-NH2 3.08Å; A259-R422 PolarHBondContact O-NH2 2.74Å; Y420-R422 HydrophobicContact CD1-CG 4.43Å; Y420-R422 HydrophobicContact CE1-CG 3.54Å; R422-P447 HydrophobicContact CB-CB 4.17Å; R422-P447 HydrophobicContact CB-CG 3.61Å; R422-P447 HydrophobicContact CG-CG 4.49Å; R422-F448 VanDerWaalsContact NH1-CE1 3.25Å; R422-Q650 WeakPolarHBondContact O-CA 3.49Å; R422-W651 HydrophobicContact CB-CB 4.39Å; R422-W651 PolarHBondContact O-N 3.34Å
423	L	88	Confident	80	Confident	2 Å²	2	38 Å²	38	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.4	-172.9	-58	173.7	0	0	0	110.1	Q320 W321 R323 L342 E421 I649 Q650	Q320-L423 WeakPolarHBondContact CA-O 3.27Å; Q320-L423 PolarHBondContact OE1-O 3.02Å; W321-L423 HydrophobicContact CB-CB 4.03Å; W321-L423 PolarHBondContact N-O 2.82Å; W321-L423 PolarHBondContact O-N 3.37Å; R323-L423 HydrophobicContact CB-CD1 4.06Å; L342-L423 HydrophobicContact CD1-CD1 4.41Å; E421-L423 HydrophobicContact CB-CD2 4.17Å; E421-L423 HydrophobicContact CB-CG 4.32Å; L423-I649 CarbonylContact C-O 3.56Å; L423-I649 VanDerWaalsContact CA-O 3.24Å; L423-I649 WeakPolarHBondContact CA-O 3.45Å; L423-Q650 HydrophobicContact CD2-CB 3.78Å; L423-Q650 HydrophobicContact CD2-CG 4.23Å
424	T	86.8	Confident	77.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118	163	-52.8	0	0	0	0	108.1	Q320 V426 M445 I649 W651	Q320-T424 PolarHBondContact NE2-OG1 2.81Å; Q320-T424 PolarHBondContact OE1-OG1 2.77Å; T424-V426 HydrophobicContact CG2-CG2 4.25Å; T424-M445 PolarHBondContact OG1-O 3.36Å; T424-I649 PolarHBondContact N-O 3.25Å; T424-I649 PolarHBondContact O-N 2.75Å; T424-W651 PolarHBondContact OG1-NE1 2.79Å
425	V	83.8	Confident	75.3	Confident	17 Å²	17	50.2 Å²	50.2	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.6	-178	-176.8	0	0	0	0	109.4	G318 T319 W321 T646 I647 E648	G318-V425 CarbonylContact C-O 3.56Å; G318-V425 VanDerWaalsContact CA-O 3.24Å; G318-V425 WeakPolarHBondContact CA-O 3.15Å; T319-V425 PolarHBondContact N-O 2.92Å; T319-V425 PolarHBondContact O-N 3.29Å; T319-V425 PolarHBondContact OG1-O 2.83Å; W321-V425 VanDerWaalsContact CD1-CG2 3.5Å; W321-V425 HydrophobicContact CG-CG2 4.16Å; V425-T646 HydrophobicContact CG1-CG2 3.44Å; V425-T646 VanDerWaalsContact CG1-CG2 3.44Å; V425-I647 WeakPolarHBondContact CA-O 3.26Å; V425-E648 HydrophobicContact CG1-CG 4.44Å; V425-E648 HydrophobicContact CG2-CG 4.11Å
426	V	82.2	Confident	72.6	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126	-177.1	-175	0	0	0	0	109.2	T424 I444 L454 T646 I647	T424-V426 HydrophobicContact CG2-CG2 4.25Å; V426-I444 HydrophobicContact CG2-CG2 3.83Å; V426-L454 HydrophobicContact CB-CD2 4.31Å; V426-L454 HydrophobicContact CG1-CD2 4.08Å; V426-T646 WeakPolarHBondContact O-CA 3.4Å; V426-I647 PolarHBondContact N-O 2.86Å; V426-I647 PolarHBondContact O-N 2.86Å
427	N	77.4	Confident	70.1	Confident	98 Å²	98	60.9 Å²	60.9	52%	0.524	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.5	169.8	-67.8	-38.6	0	0	0	108.7	T646	N427-T646 WeakPolarHBondContact OD1-CB 3.2Å; N427-T646 WeakPolarHBondContact OD1-CG2 3.36Å; N427-T646 PolarHBondContact OD1-OG1 3.4Å
428	F	71.3	Confident	67.7	Low	18 Å²	18	67.9 Å²	67.9	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.6	-177	-151.8	-77	0	0	0	111	D440 C442 L454 L456 T644 I645	F428-D440 HydrophobicContact CE1-CB 3.8Å; F428-D440 HydrophobicContact CZ-CB 3.57Å; F428-C442 HydrophobicContact CE2-CB 4.24Å; F428-L454 HydrophobicContact CD2-CD2 4.33Å; F428-L456 HydrophobicContact CB-CD1 3.85Å; F428-L456 HydrophobicContact CD1-CD1 3.03Å; F428-L456 HydrophobicContact CD1-CG 4.47Å; F428-L456 HydrophobicContact CD2-CD1 3.53Å; F428-L456 HydrophobicContact CE1-CD1 3.28Å; F428-L456 HydrophobicContact CE1-CG 4.46Å; F428-L456 HydrophobicContact CE2-CD1 3.74Å; F428-L456 HydrophobicContact CG-CD1 3.15Å; F428-L456 HydrophobicContact CZ-CD1 3.61Å; F428-T644 CarbonylContact O-C 3.53Å; F428-T644 WeakPolarHBondContact O-CA 3.48Å; F428-T644 VanDerWaalsContact O-CB 3.3Å; F428-T644 WeakPolarHBondContact O-CB 3.17Å; F428-I645 PolarHBondContact N-O 2.87Å; F428-I645 PolarHBondContact O-N 2.84Å
429	P	65.2	Low	65.7	Low	75 Å²	75	68.8 Å²	68.8	49%	0.487	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.4	178.5	29.8	-33.1	0	0	0	111.8	T644	P429-T644 HydrophobicContact CB-CG2 3.96Å
430	I	64.9	Low	64.5	Low	47 Å²	47	67.4 Å²	67.4	24%	0.241	35%	0.354	C	S	.	.			trans	-107.2	0	177.5	-63.5	-174.3	0	0	0	111.9	N432 L433 L638 G643 I645	I430-N432 PolarHBondContact O-N 2.81Å; I430-L433 HydrophobicContact CG2-CD1 3.97Å; I430-L638 HydrophobicContact CB-CD1 4.12Å; I430-L638 HydrophobicContact CD1-CD1 4.12Å; I430-L638 HydrophobicContact CG1-CD1 4.42Å; I430-G643 PolarHBondContact N-O 2.88Å; I430-I645 HydrophobicContact CD1-CB 4.06Å; I430-I645 HydrophobicContact CD1-CD1 3.14Å; I430-I645 HydrophobicContact CD1-CG1 3.34Å; I430-I645 HydrophobicContact CG1-CG1 4.36Å
431	N	50.9	Low	63.4	Low	102 Å²	102	67.9 Å²	67.9	55%	0.545	36%	0.36	S	S	.	.			trans	-68	10.3	-159.8	-71.4	-11.1	0	0	0	119.1	T642 G643	N431-T642 PolarHBondContact ND2-O 3.35Å; N431-G643 WeakPolarHBondContact OD1-CA 3.39Å; N431-G643 PolarHBondContact OD1-O 2.86Å; N431-G643 VanDerWaalsContact OD1-O 3.04Å
432	N	45.9	Very low	62.5	Low	101 Å²	101	67.7 Å²	67.7	54%	0.54	36%	0.359	S	S	.	.			trans	-135.2	56.5	172.3	-96.7	-28.9	0	0	0	111	I430 D434 N435 F436 R458	I430-N432 PolarHBondContact O-N 2.81Å; N432-D434 PolarHBondContact O-N 2.92Å; N432-N435 PolarHBondContact O-N 2.86Å; N432-F436 HydrophobicContact CB-CD2 4.31Å; N432-F436 HydrophobicContact CB-CE2 3.46Å; N432-F436 VanDerWaalsContact CB-CE2 3.46Å; N432-F436 HydrophobicContact CB-CZ 3.99Å; N432-F436 WeakPolarHBondContact O-CD2 3.27Å; N432-F436 WeakPolarHBondContact O-CE2 3.44Å; N432-R458 PolarHBondContact O-NH2 3.16Å
433	L	47	Very low	61.9	Low	80 Å²	80	66.6 Å²	66.6	42%	0.419	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-2.6	-177.2	-148.8	75.7	0	0	0	113.9	I430 R458 T631	I430-L433 HydrophobicContact CG2-CD1 3.97Å; L433-R458 PolarHBondContact O-NH1 2.99Å; L433-R458 PolarHBondContact O-NH2 3.39Å; L433-T631 HydrophobicContact CD2-CG2 4.42Å
434	D	45.2	Very low	61.4	Low	150 Å²	150	66.5 Å²	66.5	80%	0.802	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-21.9	179.2	-61.3	-35	0	0	0	115.4	N432	N432-D434 PolarHBondContact O-N 2.92Å
435	N	40	Very low	61	Low	137 Å²	137	67.2 Å²	67.2	73%	0.733	36%	0.359	S	S	*	.	S	Bend	trans	-111.7	8.3	-166.3	-80.8	-15.6	0	0	0	117.2	N432 N437	N432-N435 PolarHBondContact O-N 2.86Å; N435-N437 PolarHBondContact O-N 2.83Å
436	F	38	Very low	60.6	Low	76 Å²	76	66.6 Å²	66.6	33%	0.333	36%	0.355	S	S	.	.			trans	-93.1	91.7	-172.7	-69.4	-77.2	0	0	0	113.7	N432 D440	N432-F436 HydrophobicContact CB-CD2 4.31Å; N432-F436 HydrophobicContact CB-CE2 3.46Å; N432-F436 VanDerWaalsContact CB-CE2 3.46Å; N432-F436 HydrophobicContact CB-CZ 3.99Å; N432-F436 WeakPolarHBondContact O-CD2 3.27Å; N432-F436 WeakPolarHBondContact O-CE2 3.44Å; F436-D440 WeakPolarHBondContact CD1-OD1 3.4Å; F436-D440 VanDerWaalsContact CD1-OD2 3.27Å; F436-D440 WeakPolarHBondContact CD1-OD2 3.1Å; F436-D440 VanDerWaalsContact CE1-CG 3.41Å; F436-D440 WeakPolarHBondContact CE1-OD1 3.34Å; F436-D440 WeakPolarHBondContact CE1-OD2 3.39Å; F436-D440 VanDerWaalsContact CZ-OD2 3.32Å; F436-D440 WeakPolarHBondContact CZ-OD2 3.46Å
437	N	43.4	Very low	60.2	Low	165 Å²	165	67.7 Å²	67.7	88%	0.882	36%	0.362	S	S	*	.			trans	-80.1	-2	158.7	-81.8	-21.6	0	0	0	112.9	N435	N435-N437 PolarHBondContact O-N 2.83Å
438	H	43.1	Very low	60	Low	158 Å²	158	65.5 Å²	65.5	73%	0.731	35%	0.348	S	S	*	.	S	Bend	trans	-112.4	133	177.8	-67.5	-64.9	0	0	0	110.1	D440	H438-D440 PolarHBondContact O-N 2.85Å; H438-D440 VanDerWaalsContact O-N 3.08Å
439	V	49.8	Very low	60	Low	85 Å²	85	66.2 Å²	66.2	52%	0.515	36%	0.355	S	S	.	.			trans	-62.5	109	170.7	176	0	0	0	0	107.1	S441 F455	V439-S441 PolarHBondContact O-N 2.82Å; V439-S441 VanDerWaalsContact O-N 3.16Å; V439-F455 HydrophobicContact CG1-CB 4.01Å; V439-F455 HydrophobicContact CG1-CD1 3.94Å; V439-F455 HydrophobicContact CG1-CG 4.47Å
440	D	61.8	Low	60.2	Low	48 Å²	48	64.8 Å²	64.8	26%	0.257	34%	0.343	S	S	.	.			trans	-65.5	120.7	175.5	-65.8	-36.1	0	0	0	108.3	F428 F436 H438 L456	F428-D440 HydrophobicContact CE1-CB 3.8Å; F428-D440 HydrophobicContact CZ-CB 3.57Å; F436-D440 WeakPolarHBondContact CD1-OD1 3.4Å; F436-D440 VanDerWaalsContact CD1-OD2 3.27Å; F436-D440 WeakPolarHBondContact CD1-OD2 3.1Å; F436-D440 VanDerWaalsContact CE1-CG 3.41Å; F436-D440 WeakPolarHBondContact CE1-OD1 3.34Å; F436-D440 WeakPolarHBondContact CE1-OD2 3.39Å; F436-D440 VanDerWaalsContact CZ-OD2 3.32Å; F436-D440 WeakPolarHBondContact CZ-OD2 3.46Å; H438-D440 PolarHBondContact O-N 2.85Å; H438-D440 VanDerWaalsContact O-N 3.08Å; D440-L456 PolarHBondContact O-N 3.39Å
441	S	70.1	Confident	60.4	Low	29 Å²	29	63.4 Å²	63.4	20%	0.203	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.1	178.4	72.6	0	0	0	0	109.3	V439 R453 L454	V439-S441 PolarHBondContact O-N 2.82Å; V439-S441 VanDerWaalsContact O-N 3.16Å; S441-R453 PolarHBondContact OG-NE 2.68Å; S441-R453 PolarHBondContact OG-NH2 2.89Å; S441-L454 CarbonylContact C-O 3.04Å; S441-L454 WeakPolarHBondContact CA-O 3.4Å
442	C	69.2	Low	61.6	Low	3 Å²	3	58.5 Å²	58.5	2%	0.02	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.9	168.7	60.4	0	0	0	0	111.8	E314 L317 F428 R453 L454	E314-C442 WeakPolarHBondContact OE1-CA 3.43Å; L317-C442 HydrophobicContact CB-CB 4.39Å; L317-C442 HydrophobicContact CD1-CB 3.7Å; F428-C442 HydrophobicContact CE2-CB 4.24Å; C442-R453 WeakPolarHBondContact O-CA 3.42Å; C442-L454 PolarHBondContact N-O 3.2Å; C442-L454 PolarHBondContact O-N 3.1Å
443	L	75	Confident	62.9	Low	6 Å²	6	57.9 Å²	57.9	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.1	164.2	-178	68.5	0	0	0	109.6	E314 P316 L317 P451 W452 I468	E314-L443 HydrophobicContact CG-CB 4.17Å; E314-L443 VanDerWaalsContact O-CD2 3.31Å; E314-L443 WeakPolarHBondContact O-CD2 3.41Å; E314-L443 PolarHBondContact OE1-N 2.97Å; P316-L443 CarbonylContact C-O 3.51Å; P316-L443 WeakPolarHBondContact CA-O 3.39Å; P316-L443 HydrophobicContact CB-CD2 4.12Å; P316-L443 HydrophobicContact CB-CG 4.1Å; L317-L443 PolarHBondContact N-O 2.82Å; L443-P451 HydrophobicContact CD1-CB 3.88Å; L443-W452 CarbonylContact C-O 3.57Å; L443-W452 WeakPolarHBondContact CA-O 3.35Å; L443-I468 HydrophobicContact CD1-CD1 3.18Å
444	I	78.8	Confident	64.2	Low	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.5	171.8	69.6	174.2	0	0	0	108.3	L317 V426 W452 L454 V465 I649	L317-I444 WeakPolarHBondContact O-CG2 3.44Å; V426-I444 HydrophobicContact CG2-CG2 3.83Å; I444-W452 HydrophobicContact CD1-CB 4.01Å; I444-W452 HydrophobicContact CG1-CB 3.59Å; I444-W452 PolarHBondContact N-O 3.26Å; I444-W452 PolarHBondContact O-N 2.8Å; I444-W452 VanDerWaalsContact O-O 3.14Å; I444-L454 HydrophobicContact CD1-CB 4.4Å; I444-L454 HydrophobicContact CG2-CB 4.2Å; I444-V465 HydrophobicContact CD1-CG1 4.24Å; I444-V465 HydrophobicContact CD1-CG2 4.46Å; I444-I649 HydrophobicContact CD1-CD1 3.18Å
445	M	77.5	Confident	65.4	Low	15 Å²	15	48.9 Å²	48.9	7%	0.074	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	145.2	169.6	-59.9	-53.9	-65.1	0	0	109.6	Y308 P316 Q320 T424 S449 L450 P451	Y308-M445 HydrophobicContact CE1-CE 4.05Å; Y308-M445 HydrophobicContact CE1-CG 4.09Å; Y308-M445 HydrophobicContact CE1-SD 4.16Å; P316-M445 HydrophobicContact CB-CG 3.55Å; P316-M445 HydrophobicContact CB-SD 4.15Å; P316-M445 HydrophobicContact CG-CG 3.84Å; P316-M445 HydrophobicContact CG-SD 4.46Å; Q320-M445 PolarHBondContact NE2-O 2.82Å; T424-M445 PolarHBondContact OG1-O 3.36Å; M445-S449 WeakPolarHBondContact CE-O 3.3Å; M445-L450 WeakPolarHBondContact CA-O 3.48Å; M445-L450 WeakPolarHBondContact CE-O 3.26Å; M445-P451 HydrophobicContact CE-CB 4.22Å; M445-P451 HydrophobicContact SD-CB 3.88Å
446	D	76.1	Confident	66.7	Low	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.223	C	C	.	.			trans	-82.6	171.3	164.1	74.5	8.9	0	0	0	111	F448 S449 L450 W452 W651	D446-F448 PolarHBondContact O-N 3.1Å; D446-F448 VanDerWaalsContact OD1-CA 3.23Å; D446-F448 WeakPolarHBondContact OD1-CA 3.49Å; D446-F448 WeakPolarHBondContact OD1-CB 3.33Å; D446-F448 PolarHBondContact OD1-N 2.69Å; D446-S449 PolarHBondContact O-N 3.44Å; D446-S449 PolarHBondContact OD1-N 2.69Å; D446-L450 PolarHBondContact N-O 2.77Å; D446-L450 PolarHBondContact OD1-N 2.84Å; D446-L450 WeakPolarHBondContact OD2-CB 3.49Å; D446-W452 PolarHBondContact OD2-NE1 2.81Å; D446-W651 HydrophobicContact CB-CD2 3.89Å; D446-W651 HydrophobicContact CB-CE3 4.04Å; D446-W651 HydrophobicContact CB-CH2 3.59Å; D446-W651 HydrophobicContact CB-CZ2 3.4Å; D446-W651 VanDerWaalsContact CB-CZ2 3.4Å; D446-W651 HydrophobicContact CB-CZ3 3.91Å
447	P	74	Confident	67.9	Low	24 Å²	24	41.7 Å²	41.7	16%	0.156	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.1	174.7	-25.5	33.6	0	0	0	114.8	R422 W651	R422-P447 HydrophobicContact CB-CB 4.17Å; R422-P447 HydrophobicContact CB-CG 3.61Å; R422-P447 HydrophobicContact CG-CG 4.49Å; P447-W651 VanDerWaalsContact CD-NE1 3.27Å; P447-W651 HydrophobicContact CG-CB 4.47Å; P447-W651 VanDerWaalsContact CG-CD1 3.47Å; P447-W651 HydrophobicContact CG-CG 4.02Å
448	F	72.6	Confident	68.5	Low	52 Å²	52	38.7 Å²	38.7	23%	0.228	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	14.8	-178.5	-50.5	-75.7	0	0	0	112.1	R422 D446 L450 R654	R422-F448 VanDerWaalsContact NH1-CE1 3.25Å; D446-F448 PolarHBondContact O-N 3.1Å; D446-F448 VanDerWaalsContact OD1-CA 3.23Å; D446-F448 WeakPolarHBondContact OD1-CA 3.49Å; D446-F448 WeakPolarHBondContact OD1-CB 3.33Å; D446-F448 PolarHBondContact OD1-N 2.69Å; F448-L450 PolarHBondContact O-N 3.04Å; F448-R654 HydrophobicContact CE2-CB 4.5Å
449	S	70.6	Confident	69	Low	33 Å²	33	36.4 Å²	36.4	23%	0.231	19%	0.194	C	C	.	.	S	Bend	trans	61.6	26.2	-179.6	-55	0	0	0	0	114.1	M445 D446	M445-S449 WeakPolarHBondContact CE-O 3.3Å; D446-S449 PolarHBondContact O-N 3.44Å; D446-S449 PolarHBondContact OD1-N 2.69Å
450	L	70	Confident	69.4	Low	45 Å²	45	33.7 Å²	33.7	24%	0.236	18%	0.179	C	C	.	.			trans	-91.9	139.7	169.2	-61.9	171.3	0	0	0	110.9	M445 D446 F448 F511	M445-L450 WeakPolarHBondContact CA-O 3.48Å; M445-L450 WeakPolarHBondContact CE-O 3.26Å; D446-L450 PolarHBondContact N-O 2.77Å; D446-L450 PolarHBondContact OD1-N 2.84Å; D446-L450 WeakPolarHBondContact OD2-CB 3.49Å; F448-L450 PolarHBondContact O-N 3.04Å; L450-F511 HydrophobicContact CD1-CE1 3.49Å; L450-F511 VanDerWaalsContact CD1-CE1 3.49Å; L450-F511 HydrophobicContact CD1-CE2 4.43Å; L450-F511 HydrophobicContact CD1-CZ 3.32Å
451	P	69.9	Low	69.4	Low	18 Å²	18	35.7 Å²	35.7	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.4	-179.2	31.2	-30	0	0	0	111.5	Y311 L443 M445 I468	Y311-P451 HydrophobicContact CE2-CB 4.22Å; Y311-P451 HydrophobicContact CE2-CG 4.08Å; Y311-P451 VanDerWaalsContact OH-CG 3.25Å; Y311-P451 WeakPolarHBondContact OH-CG 3.31Å; L443-P451 HydrophobicContact CD1-CB 3.88Å; M445-P451 HydrophobicContact CE-CB 4.22Å; M445-P451 HydrophobicContact SD-CB 3.88Å; P451-I468 HydrophobicContact CB-CD1 4.36Å; P451-I468 PolarHBondContact O-N 3.04Å
452	W	75.4	Confident	69	Low	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157.1	178.4	-60.2	77.5	0	0	0	110	L443 I444 D446 V465 L467 F511 I540 W651	L443-W452 CarbonylContact C-O 3.57Å; L443-W452 WeakPolarHBondContact CA-O 3.35Å; I444-W452 HydrophobicContact CD1-CB 4.01Å; I444-W452 HydrophobicContact CG1-CB 3.59Å; I444-W452 PolarHBondContact N-O 3.26Å; I444-W452 PolarHBondContact O-N 2.8Å; I444-W452 VanDerWaalsContact O-O 3.14Å; D446-W452 PolarHBondContact OD2-NE1 2.81Å; W452-V465 HydrophobicContact CB-CG1 4.21Å; W452-V465 HydrophobicContact CD2-CG1 4.34Å; W452-V465 HydrophobicContact CE3-CG1 3.65Å; W452-V465 HydrophobicContact CZ3-CG1 4.36Å; W452-L467 HydrophobicContact CD2-CD2 3.74Å; W452-L467 HydrophobicContact CD2-CG 3.85Å; W452-L467 VanDerWaalsContact CE2-CD2 3.5Å; W452-L467 HydrophobicContact CE3-CB 4.41Å; W452-L467 HydrophobicContact CE3-CD2 4.16Å; W452-L467 HydrophobicContact CE3-CG 3.73Å; W452-L467 HydrophobicContact CG-CD2 4.26Å; W452-L467 HydrophobicContact CH2-CD1 3.8Å; W452-L467 HydrophobicContact CH2-CD2 4.14Å; W452-L467 HydrophobicContact CH2-CG 3.6Å; W452-L467 HydrophobicContact CZ2-CD1 4Å; W452-L467 HydrophobicContact CZ2-CD2 3.7Å; W452-L467 HydrophobicContact CZ2-CG 3.71Å; W452-L467 HydrophobicContact CZ3-CB 4.5Å; W452-L467 HydrophobicContact CZ3-CD1 4.22Å; W452-L467 HydrophobicContact CZ3-CD2 4.37Å; W452-L467 HydrophobicContact CZ3-CG 3.63Å; W452-F511 HydrophobicContact CH2-CB 3.8Å; W452-F511 HydrophobicContact CH2-CD1 4.41Å; W452-F511 HydrophobicContact CH2-CD2 4.11Å; W452-F511 AromaticContact CH2-CG 3.87Å; W452-F511 HydrophobicContact CH2-CG 3.87Å; W452-F511 HydrophobicContact CZ2-CB 4.18Å; W452-F511 AromaticContact CZ2-CD1 3.95Å; W452-F511 HydrophobicContact CZ2-CD1 3.95Å; W452-F511 HydrophobicContact CZ2-CD2 4.19Å; W452-F511 HydrophobicContact CZ2-CE1 4.36Å; W452-F511 AromaticContact CZ2-CG 3.86Å; W452-F511 HydrophobicContact CZ2-CG 3.86Å; W452-I540 HydrophobicContact CH2-CB 4.48Å; W452-I540 HydrophobicContact CH2-CD1 3.8Å; W452-I540 HydrophobicContact CH2-CG2 4.31Å; W452-I540 HydrophobicContact CZ3-CD1 3.6Å; W452-I540 HydrophobicContact CZ3-CG2 4.14Å; W452-W651 AromaticContact CD1-CH2 3.73Å; W452-W651 AromaticContact CD2-CH2 3.62Å; W452-W651 HydrophobicContact CD2-CH2 3.62Å; W452-W651 HydrophobicContact CD2-CZ3 4.01Å; W452-W651 AromaticContact CE2-CH2 3.49Å; W452-W651 VanDerWaalsContact CE2-CH2 3.49Å; W452-W651 AromaticContact CE2-CZ3 3.5Å; W452-W651 HydrophobicContact CE3-CH2 4.17Å; W452-W651 HydrophobicContact CE3-CZ3 4.39Å; W452-W651 AromaticContact CG-CH2 3.83Å; W452-W651 HydrophobicContact CG-CH2 3.83Å; W452-W651 HydrophobicContact CH2-CH2 4.47Å; W452-W651 AromaticContact CH2-CZ3 3.91Å; W452-W651 HydrophobicContact CH2-CZ3 3.91Å; W452-W651 AromaticContact CZ2-CH2 3.98Å; W452-W651 HydrophobicContact CZ2-CH2 3.98Å; W452-W651 AromaticContact CZ2-CZ3 3.49Å; W452-W651 HydrophobicContact CZ2-CZ3 3.49Å; W452-W651 VanDerWaalsContact CZ2-CZ3 3.49Å; W452-W651 HydrophobicContact CZ3-CZ3 4.32Å; W452-W651 AromaticContact NE1-CH2 3.56Å; W452-W651 AromaticContact NE1-CZ3 3.84Å
453	R	72.9	Confident	68.9	Low	88 Å²	88	34.5 Å²	34.5	33%	0.332	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.2	175.7	-160.3	161.1	-170.5	135.2	10.5	109.4	E314 S441 C442 F455 V465 G466 I468	E314-R453 IonicContact OE2-NH2 2.95Å; S441-R453 PolarHBondContact OG-NE 2.68Å; S441-R453 PolarHBondContact OG-NH2 2.89Å; C442-R453 WeakPolarHBondContact O-CA 3.42Å; R453-F455 HydrophobicContact CB-CD2 4.49Å; R453-F455 HydrophobicContact CB-CE2 3.69Å; R453-F455 HydrophobicContact CB-CZ 3.72Å; R453-F455 VanDerWaalsContact CD-CZ 3.48Å; R453-F455 HydrophobicContact CG-CD1 4.4Å; R453-F455 HydrophobicContact CG-CD2 4.44Å; R453-F455 HydrophobicContact CG-CE1 3.78Å; R453-F455 HydrophobicContact CG-CE2 3.83Å; R453-F455 HydrophobicContact CG-CZ 3.48Å; R453-F455 VanDerWaalsContact CG-CZ 3.48Å; R453-F455 WeakPolarHBondContact O-CD2 3.42Å; R453-F455 WeakPolarHBondContact O-CE2 3.37Å; R453-V465 WeakPolarHBondContact O-CA 3.47Å; R453-G466 PolarHBondContact N-O 2.81Å; R453-G466 PolarHBondContact O-N 3.49Å; R453-I468 HydrophobicContact CB-CD1 4.21Å; R453-I468 HydrophobicContact CB-CG1 3.85Å
454	L	75.3	Confident	68.5	Low	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124	171	173.5	68.2	0	0	0	107.8	V426 F428 S441 C442 I444 A463 R464 V465 I647	V426-L454 HydrophobicContact CB-CD2 4.31Å; V426-L454 HydrophobicContact CG1-CD2 4.08Å; F428-L454 HydrophobicContact CD2-CD2 4.33Å; S441-L454 CarbonylContact C-O 3.04Å; S441-L454 WeakPolarHBondContact CA-O 3.4Å; C442-L454 PolarHBondContact N-O 3.2Å; C442-L454 PolarHBondContact O-N 3.1Å; I444-L454 HydrophobicContact CD1-CB 4.4Å; I444-L454 HydrophobicContact CG2-CB 4.2Å; L454-A463 HydrophobicContact CD1-CB 4.26Å; L454-R464 CarbonylContact C-O 3.58Å; L454-R464 WeakPolarHBondContact CA-O 3.26Å; L454-V465 HydrophobicContact CB-CG2 4.24Å; L454-V465 HydrophobicContact CD1-CG2 3.4Å; L454-V465 HydrophobicContact CG-CG2 4.4Å; L454-I647 HydrophobicContact CD2-CD1 4.1Å
455	F	70.9	Confident	68.2	Low	41 Å²	41	36 Å²	36	18%	0.18	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.4	177.8	-53.6	-93.4	0	0	0	109.2	V439 R453 A463 R464	V439-F455 HydrophobicContact CG1-CB 4.01Å; V439-F455 HydrophobicContact CG1-CD1 3.94Å; V439-F455 HydrophobicContact CG1-CG 4.47Å; R453-F455 HydrophobicContact CB-CD2 4.49Å; R453-F455 HydrophobicContact CB-CE2 3.69Å; R453-F455 HydrophobicContact CB-CZ 3.72Å; R453-F455 VanDerWaalsContact CD-CZ 3.48Å; R453-F455 HydrophobicContact CG-CD1 4.4Å; R453-F455 HydrophobicContact CG-CD2 4.44Å; R453-F455 HydrophobicContact CG-CE1 3.78Å; R453-F455 HydrophobicContact CG-CE2 3.83Å; R453-F455 HydrophobicContact CG-CZ 3.48Å; R453-F455 VanDerWaalsContact CG-CZ 3.48Å; R453-F455 WeakPolarHBondContact O-CD2 3.42Å; R453-F455 WeakPolarHBondContact O-CE2 3.37Å; F455-A463 CarbonylContact O-C 3.48Å; F455-A463 WeakPolarHBondContact O-CA 3.28Å; F455-R464 HydrophobicContact CB-CB 4.29Å; F455-R464 PolarHBondContact N-O 3.14Å; F455-R464 PolarHBondContact O-N 3.13Å
456	L	67.2	Low	67.6	Low	25 Å²	25	35.3 Å²	35.3	13%	0.131	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.6	167.8	-75.7	157.4	0	0	0	110.1	F428 D440 L462 A463 I647	F428-L456 HydrophobicContact CB-CD1 3.85Å; F428-L456 HydrophobicContact CD1-CD1 3.03Å; F428-L456 HydrophobicContact CD1-CG 4.47Å; F428-L456 HydrophobicContact CD2-CD1 3.53Å; F428-L456 HydrophobicContact CE1-CD1 3.28Å; F428-L456 HydrophobicContact CE1-CG 4.46Å; F428-L456 HydrophobicContact CE2-CD1 3.74Å; F428-L456 HydrophobicContact CG-CD1 3.15Å; F428-L456 HydrophobicContact CZ-CD1 3.61Å; D440-L456 PolarHBondContact O-N 3.39Å; L456-L462 CarbonylContact C-O 3.56Å; L456-L462 WeakPolarHBondContact CA-O 3.1Å; L456-L462 HydrophobicContact CD2-CD1 3.82Å; L456-L462 HydrophobicContact CD2-CD2 4.26Å; L456-L462 HydrophobicContact CD2-CG 3.63Å; L456-L462 WeakPolarHBondContact CD2-O 3.28Å; L456-A463 HydrophobicContact CD2-CB 3.78Å; L456-I647 HydrophobicContact CD2-CD1 4.15Å
457	N	62.7	Low	67.1	Low	36 Å²	36	36.3 Å²	36.3	19%	0.193	18%	0.181	C	C	.	.			trans	-126.9	129.9	-176.8	-170.9	-16.6	0	0	0	111.2	S459 S460 L462 C627	N457-S459 PolarHBondContact OD1-N 3.19Å; N457-S459 PolarHBondContact OD1-OG 2.67Å; N457-S460 PolarHBondContact ND2-OG 3.4Å; N457-L462 PolarHBondContact N-O 2.99Å; N457-C627 PolarHBondContact O-SG 3.31Å; N457-C627 VanDerWaalsContact O-SG 3.38Å
458	R	55.8	Low	66.3	Low	103 Å²	103	37 Å²	37	39%	0.389	18%	0.184	S	C	.	.	S	Bend	trans	-77.4	-38	178	-61.9	-175	-174	-175.5	-0.2	115.1	N432 L433 S460 C627	N432-R458 PolarHBondContact O-NH2 3.16Å; L433-R458 PolarHBondContact O-NH1 2.99Å; L433-R458 PolarHBondContact O-NH2 3.39Å; R458-S460 PolarHBondContact O-N 3.38Å; R458-C627 VanDerWaalsContact CA-SG 3.59Å
459	S	53.1	Low	65.4	Low	110 Å²	110	39 Å²	39	77%	0.769	20%	0.201	S	C	*	.	S	Bend	trans	-82	4.1	-170.7	74.6	0	0	0	0	112.9	N457	N457-S459 PolarHBondContact OD1-N 3.19Å; N457-S459 PolarHBondContact OD1-OG 2.67Å
460	S	58.3	Low	64.1	Low	28 Å²	28	43.6 Å²	43.6	20%	0.196	22%	0.22	C	C	.	.	S	Bend	trans	-157.5	-151.5	-172.3	69.5	0	0	0	0	110.2	N457 R458 L462 R464	N457-S460 PolarHBondContact ND2-OG 3.4Å; R458-S460 PolarHBondContact O-N 3.38Å; S460-L462 PolarHBondContact O-N 2.9Å; S460-R464 PolarHBondContact OG-NH2 3.16Å
461	R	61.3	Low	62.4	Low	89 Å²	89	49.6 Å²	49.6	34%	0.336	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-50.1	124.6	168	-72.6	-172.9	-178.8	-142.1	-6.1	111.9	A622 M623 E624	R461-A622 HydrophobicContact CB-CB 3.91Å; R461-A622 HydrophobicContact CG-CB 4.26Å; R461-A622 PolarHBondContact NH1-O 3.26Å; R461-M623 WeakPolarHBondContact CB-O 3.45Å; R461-M623 VanDerWaalsContact CD-O 3.27Å; R461-M623 WeakPolarHBondContact CD-O 3.32Å; R461-M623 WeakPolarHBondContact CG-O 3.49Å; R461-E624 IonicContact NH2-OE1 3.01Å; R461-E624 PolarHBondContact NH2-OE1 2.79Å; R461-E624 VanDerWaalsContact NH2-OE1 3.13Å
462	L	62.5	Low	60.6	Low	6 Å²	6	55.3 Å²	55.3	3%	0.031	27%	0.269	C	S	.	.	S	Bend	trans	-51.4	-64.7	-172.3	172.6	74.6	0	0	0	110.9	L456 N457 S460 I517 M623 I625 C627 L630	L456-L462 CarbonylContact C-O 3.56Å; L456-L462 WeakPolarHBondContact CA-O 3.1Å; L456-L462 HydrophobicContact CD2-CD1 3.82Å; L456-L462 HydrophobicContact CD2-CD2 4.26Å; L456-L462 HydrophobicContact CD2-CG 3.63Å; L456-L462 WeakPolarHBondContact CD2-O 3.28Å; N457-L462 PolarHBondContact N-O 2.99Å; S460-L462 PolarHBondContact O-N 2.9Å; L462-I517 HydrophobicContact CD2-CD1 3.55Å; L462-M623 HydrophobicContact CB-CE 3.53Å; L462-M623 HydrophobicContact CD2-CE 3.28Å; L462-M623 HydrophobicContact CG-CE 3.89Å; L462-I625 VanDerWaalsContact CB-O 3.28Å; L462-I625 WeakPolarHBondContact CB-O 3.34Å; L462-I625 PolarHBondContact N-O 2.73Å; L462-C627 HydrophobicContact CD1-CB 4.49Å; L462-C627 WeakPolarHBondContact CD1-SG 3.44Å; L462-L630 HydrophobicContact CB-CD1 4.13Å; L462-L630 HydrophobicContact CD1-CD1 3.4Å; L462-L630 HydrophobicContact CD2-CD1 3.2Å; L462-L630 HydrophobicContact CD2-CG 4.45Å; L462-L630 HydrophobicContact CG-CD1 3.67Å
463	A	66.8	Low	58.3	Low	1 Å²	1	60.3 Å²	60.3	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.6	-171.4	0	0	0	0	0	111	L454 F455 L456 A622 M623 I647	L454-A463 HydrophobicContact CD1-CB 4.26Å; F455-A463 CarbonylContact O-C 3.48Å; F455-A463 WeakPolarHBondContact O-CA 3.28Å; L456-A463 HydrophobicContact CD2-CB 3.78Å; A463-A622 CarbonylContact O-C 3.45Å; A463-A622 VanDerWaalsContact O-CA 3.31Å; A463-A622 WeakPolarHBondContact O-CA 3.33Å; A463-M623 HydrophobicContact CB-CB 4.42Å; A463-M623 HydrophobicContact CB-CE 4.45Å; A463-M623 PolarHBondContact O-N 2.92Å; A463-I647 HydrophobicContact CB-CD1 4.07Å
464	R	67.1	Low	56.2	Low	38 Å²	38	62 Å²	62	14%	0.143	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.2	176.3	-48.6	-170.2	-178.6	177.7	-1.3	111.8	L454 F455 S460 Q620 V621 A622	L454-R464 CarbonylContact C-O 3.58Å; L454-R464 WeakPolarHBondContact CA-O 3.26Å; F455-R464 HydrophobicContact CB-CB 4.29Å; F455-R464 PolarHBondContact N-O 3.14Å; F455-R464 PolarHBondContact O-N 3.13Å; S460-R464 PolarHBondContact OG-NH2 3.16Å; R464-Q620 HydrophobicContact CB-CB 4.22Å; R464-Q620 VanDerWaalsContact CD-OE1 3.32Å; R464-V621 CarbonylContact C-O 3.54Å; R464-V621 WeakPolarHBondContact CA-O 3.29Å; R464-A622 HydrophobicContact CB-CB 4.39Å; R464-A622 HydrophobicContact CG-CB 3.7Å
465	V	71.6	Confident	54.1	Low	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.9	175.2	173.5	0	0	0	0	110	I444 W452 R453 L454 L515 Q620 V621 I649	I444-V465 HydrophobicContact CD1-CG1 4.24Å; I444-V465 HydrophobicContact CD1-CG2 4.46Å; W452-V465 HydrophobicContact CB-CG1 4.21Å; W452-V465 HydrophobicContact CD2-CG1 4.34Å; W452-V465 HydrophobicContact CE3-CG1 3.65Å; W452-V465 HydrophobicContact CZ3-CG1 4.36Å; R453-V465 WeakPolarHBondContact O-CA 3.47Å; L454-V465 HydrophobicContact CB-CG2 4.24Å; L454-V465 HydrophobicContact CD1-CG2 3.4Å; L454-V465 HydrophobicContact CG-CG2 4.4Å; V465-L515 HydrophobicContact CG2-CD1 4.5Å; V465-L515 HydrophobicContact CG2-CD2 3.72Å; V465-Q620 CarbonylContact O-C 3.56Å; V465-Q620 VanDerWaalsContact O-CA 3.27Å; V465-Q620 WeakPolarHBondContact O-CA 3.48Å; V465-V621 HydrophobicContact CB-CB 4.35Å; V465-V621 PolarHBondContact N-O 3.19Å; V465-V621 PolarHBondContact O-N 3.07Å; V465-I649 HydrophobicContact CG2-CD1 4.02Å
466	G	65.1	Low	52	Low	1 Å²	1	75.1 Å²	75.1	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.4	176	0	0	0	0	0	112.5	R453	R453-G466 PolarHBondContact N-O 2.81Å; R453-G466 PolarHBondContact O-N 3.49Å
467	L	65	Low	50.2	Low	24 Å²	24	81.9 Å²	81.9	13%	0.126	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	141.2	173.9	-86.4	163.1	0	0	0	110.7	W452 P469 F511 I540 A541 S618	W452-L467 HydrophobicContact CD2-CD2 3.74Å; W452-L467 HydrophobicContact CD2-CG 3.85Å; W452-L467 VanDerWaalsContact CE2-CD2 3.5Å; W452-L467 HydrophobicContact CE3-CB 4.41Å; W452-L467 HydrophobicContact CE3-CD2 4.16Å; W452-L467 HydrophobicContact CE3-CG 3.73Å; W452-L467 HydrophobicContact CG-CD2 4.26Å; W452-L467 HydrophobicContact CH2-CD1 3.8Å; W452-L467 HydrophobicContact CH2-CD2 4.14Å; W452-L467 HydrophobicContact CH2-CG 3.6Å; W452-L467 HydrophobicContact CZ2-CD1 4Å; W452-L467 HydrophobicContact CZ2-CD2 3.7Å; W452-L467 HydrophobicContact CZ2-CG 3.71Å; W452-L467 HydrophobicContact CZ3-CB 4.5Å; W452-L467 HydrophobicContact CZ3-CD1 4.22Å; W452-L467 HydrophobicContact CZ3-CD2 4.37Å; W452-L467 HydrophobicContact CZ3-CG 3.63Å; L467-P469 WeakPolarHBondContact O-CD 3.45Å; L467-F511 HydrophobicContact CD1-CD2 3.89Å; L467-F511 HydrophobicContact CD1-CE2 3.74Å; L467-I540 HydrophobicContact CB-CG2 4.37Å; L467-I540 HydrophobicContact CD1-CB 4.38Å; L467-I540 HydrophobicContact CD1-CG2 3.7Å; L467-I540 HydrophobicContact CG-CG2 4.19Å; L467-A541 HydrophobicContact CB-CB 4.35Å; L467-A541 HydrophobicContact CD1-CB 3.43Å; L467-A541 VanDerWaalsContact CD1-CB 3.43Å; L467-S618 WeakPolarHBondContact O-CB 3.45Å
468	I	58.5	Low	48.4	Very low	40 Å²	40	89.2 Å²	89.2	21%	0.205	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-77.2	120.2	173.2	-64.8	176.5	0	0	0	107.9	L443 P451 R453 E470	L443-I468 HydrophobicContact CD1-CD1 3.18Å; P451-I468 HydrophobicContact CB-CD1 4.36Å; P451-I468 PolarHBondContact O-N 3.04Å; R453-I468 HydrophobicContact CB-CD1 4.21Å; R453-I468 HydrophobicContact CB-CG1 3.85Å; I468-E470 PolarHBondContact O-N 2.88Å
469	P	52.4	Low	47.1	Very low	92 Å²	92	89.5 Å²	89.5	60%	0.597	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-63.5	121.8	170	24.4	-28.8	0	0	0	108	L467 Q471	L467-P469 WeakPolarHBondContact O-CD 3.45Å; P469-Q471 PolarHBondContact O-N 3.03Å
470	E	43.6	Very low	46.1	Very low	131 Å²	131	92.9 Å²	92.9	61%	0.612	47%	0.465	S	S	*	.			trans	-51	105.4	172.5	-75.9	175.1	-170.5	0	0	108.5	I468 K472 K543	I468-E470 PolarHBondContact O-N 2.88Å; E470-K472 PolarHBondContact O-N 2.9Å; E470-K543 VanDerWaalsContact CD-NZ 3.29Å; E470-K543 IonicContact OE1-NZ 2.73Å; E470-K543 PolarHBondContact OE1-NZ 3.36Å; E470-K543 VanDerWaalsContact OE1-NZ 3.13Å; E470-K543 WeakPolarHBondContact OE2-CE 3.39Å; E470-K543 IonicContact OE2-NZ 2.9Å; E470-K543 PolarHBondContact OE2-NZ 3.23Å
471	Q	34.8	Very low	44.9	Very low	171 Å²	171	101.5 Å²	101.5	80%	0.799	49%	0.494	S	S	*	.			trans	-70.7	116.4	169.9	-79.1	-176.6	-5.5	0	0	106.8	P469 T473	P469-Q471 PolarHBondContact O-N 3.03Å; Q471-T473 PolarHBondContact O-N 2.82Å
472	K	32.2	Very low	43.3	Very low	138 Å²	138	106.4 Å²	106.4	60%	0.6	52%	0.524	S	S	*	.			trans	-55.4	124.4	164.9	-77.9	-175.5	168.3	-173.5	0	107	E470 D474 D546	E470-K472 PolarHBondContact O-N 2.9Å; K472-D474 VanDerWaalsContact C-N 3.32Å; K472-D474 PolarHBondContact O-N 2.87Å; K472-D546 WeakPolarHBondContact CE-OD1 3.15Å; K472-D546 IonicContact NZ-OD1 2.65Å; K472-D546 PolarHBondContact NZ-OD1 2.77Å; K472-D546 IonicContact NZ-OD2 2.81Å; K472-D546 PolarHBondContact NZ-OD2 2.9Å
473	T	28.1	Very low	41.6	Very low	104 Å²	104	114.9 Å²	114.9	64%	0.638	56%	0.56	S	S	*	*			trans	-57.1	109.1	154	38.5	0	0	0	0	105.2	Q471 L475	Q471-T473 PolarHBondContact O-N 2.82Å; T473-L475 VanDerWaalsContact C-N 3.34Å; T473-L475 PolarHBondContact O-N 3.21Å
474	D	28	Very low	39.8	Very low	124 Å²	124	123 Å²	123	66%	0.663	60%	0.601	S	S	*	*			trans	-51.5	108.9	165	-91.6	-25.9	0	0	0	105.4	K472 Q476	K472-D474 VanDerWaalsContact C-N 3.32Å; K472-D474 PolarHBondContact O-N 2.87Å; D474-Q476 HydrophobicContact CB-CB 4.33Å; D474-Q476 HydrophobicContact CB-CG 4Å; D474-Q476 PolarHBondContact O-N 2.72Å; D474-Q476 PolarHBondContact OD2-NE2 2.88Å
475	L	31.1	Very low	38	Very low	180 Å²	180	126.5 Å²	126.5	94%	0.942	63%	0.632	S	S	*	*			trans	-64.8	65.9	162.3	-79.8	151.7	0	0	0	106.6	T473	T473-L475 VanDerWaalsContact C-N 3.34Å; T473-L475 PolarHBondContact O-N 3.21Å
476	Q	27.7	Very low	36.1	Very low	136 Å²	136	135.6 Å²	135.6	64%	0.636	67%	0.674	S	S	*	*			trans	-96.2	109.4	172.7	-86.4	-178.1	28.1	0	0	107	D474	D474-Q476 HydrophobicContact CB-CB 4.33Å; D474-Q476 HydrophobicContact CB-CG 4Å; D474-Q476 PolarHBondContact O-N 2.72Å; D474-Q476 PolarHBondContact OD2-NE2 2.88Å
477	H	28.9	Very low	34.4	Very low	168 Å²	168	144.7 Å²	144.7	78%	0.778	71%	0.713	S	S	*	*			trans	62.1	84.2	159.1	-65	-72	0	0	0	115.2	P479	H477-P479 VanDerWaalsContact O-CD 3.27Å; H477-P479 WeakPolarHBondContact O-CD 3.29Å
478	E	25.1	Very low	32.7	Very low	190 Å²	190	149.1 Å²	149.1	89%	0.888	75%	0.746	S	S	*	*			trans	-55.8	119.1	138.9	-86	-153.4	147.7	0	0	107.3	E480	E478-E480 PolarHBondContact O-N 3.01Å
479	P	28.9	Very low	31.3	Very low	108 Å²	108	152 Å²	152	70%	0.701	77%	0.771	S	S	*	*			trans	-67.2	126.9	172.4	27.5	-28.9	0	0	0	107.4	H477 Y481	H477-P479 VanDerWaalsContact O-CD 3.27Å; H477-P479 WeakPolarHBondContact O-CD 3.29Å; P479-Y481 PolarHBondContact O-N 2.89Å
480	E	31.7	Very low	30.2	Very low	181 Å²	181	157.8 Å²	157.8	85%	0.846	79%	0.786	S	S	*	*	S	Bend	trans	-64.2	30	-173	-112.8	-173.8	164.6	0	0	115.8	E478	E478-E480 PolarHBondContact O-N 3.01Å
481	Y	32.5	Very low	29.6	Very low	210 Å²	210	157.7 Å²	157.7	82%	0.824	79%	0.788	S	S	*	*			trans	-120.7	61	-178.6	-71.1	-80.5	0	0	0	112.5	P479	P479-Y481 PolarHBondContact O-N 2.89Å
482	M	28.3	Very low	29.2	Very low	192 Å²	192	158.6 Å²	158.6	95%	0.946	79%	0.793	S	S	*	*			trans	-155	61.8	148.8	-81.5	-150	177.1	0	0	110.2
483	K	26.7	Very low	29	Very low	184 Å²	184	157.7 Å²	157.7	80%	0.8	80%	0.795	S	S	*	*			trans	-88.1	138.9	150.5	-80.1	179.6	179.5	169.1	0	107.3
484	I	29	Very low	28.9	Very low	171 Å²	171	162.4 Å²	162.4	88%	0.877	81%	0.806	S	S	*	*			trans	96.2	84.8	177.8	-44.9	155.3	0	0	0	113.8
485	S	29.8	Very low	28.9	Very low	111 Å²	111	163.6 Å²	163.6	78%	0.776	81%	0.807	S	S	*	*				-170.8	106.8	106.3	63.7	0	0	0	0	110.1	K487	S485-K487 PolarHBondContact O-N 2.73Å
486	E	30.1	Very low	28.6	Very low	191 Å²	191	160.2 Å²	160.2	89%	0.893	80%	0.799	S	S	*	*			trans	-61.5	119.1	162	-65	172	154.4	0	0	108.8
487	K	30.5	Very low	28.5	Very low	192 Å²	192	162 Å²	162	84%	0.835	81%	0.807	S	S	*	*			trans	-171.9	94.4	149.4	-103.6	160.1	-170.9	-176.3	0	110.7	S485	S485-K487 PolarHBondContact O-N 2.73Å
488	S	28.5	Very low	28.5	Very low	117 Å²	117	159 Å²	159	82%	0.818	80%	0.804	S	S	*	*			trans	11.7	114.3	142.4	60.5	0	0	0	0	118.3
489	S	29.4	Very low	28.6	Very low	102 Å²	102	158.2 Å²	158.2	71%	0.713	80%	0.801	S	S	*	*			trans	-144.4	107	138.5	56.3	0	0	0	0	108.7	I491	S489-I491 PolarHBondContact O-N 2.92Å
490	K	29.2	Very low	28.5	Very low	213 Å²	213	163.2 Å²	163.2	93%	0.926	81%	0.806	S	S	*	*			trans	-62.1	98.9	170.8	-71.2	174.3	176.3	177.5	0	108.4
491	I	31	Very low	28.7	Very low	128 Å²	128	158.1 Å²	158.1	66%	0.656	79%	0.79	S	S	*	*			trans	-116.7	106.9	158.2	-61.9	178.9	0	0	0	104.9	S489 D493	S489-I491 PolarHBondContact O-N 2.92Å; I491-D493 PolarHBondContact O-N 3.16Å
492	Q	26.3	Very low	28.8	Very low	190 Å²	190	152.6 Å²	152.6	89%	0.888	78%	0.778	S	S	*	*			trans	-68.9	80.9	171.8	-75.9	177	-16.5	0	0	107.7	K494	Q492-K494 PolarHBondContact O-N 2.8Å; Q492-K494 VanDerWaalsContact O-N 3.12Å
493	D	28.2	Very low	29.5	Very low	120 Å²	120	144.5 Å²	144.5	64%	0.642	74%	0.738	S	S	*	*			trans	-70	108.1	163	-81.1	-29.6	0	0	0	107.3	I491 H495	I491-D493 PolarHBondContact O-N 3.16Å; D493-H495 PolarHBondContact O-N 2.89Å
494	K	26	Very low	30.3	Very low	203 Å²	203	139 Å²	139	88%	0.883	72%	0.722	S	S	*	*			trans	-59	84.3	163.6	-75.9	-179.4	175.4	179.8	0	107.1	Q492 S496	Q492-K494 PolarHBondContact O-N 2.8Å; Q492-K494 VanDerWaalsContact O-N 3.12Å; K494-S496 VanDerWaalsContact C-N 3.28Å; K494-S496 PolarHBondContact O-N 2.83Å
495	H	28.1	Very low	31.1	Very low	148 Å²	148	134.9 Å²	134.9	69%	0.685	70%	0.701	S	S	*	*			trans	-63.2	98.1	165.1	-81.2	-63.1	0	0	0	106.9	D493 H497	D493-H495 PolarHBondContact O-N 2.89Å; H495-H497 VanDerWaalsContact C-N 3.3Å; H495-H497 PolarHBondContact O-N 2.77Å
496	S	25.2	Very low	32.4	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	67%	0.672	S	S	*	*			trans	-53.3	102.4	158.9	50.1	0	0	0	0	106.1	K494 S498	K494-S496 VanDerWaalsContact C-N 3.28Å; K494-S496 PolarHBondContact O-N 2.83Å; S496-S498 PolarHBondContact O-N 2.98Å
497	H	25	Very low	33.9	Very low	174 Å²	174	123.6 Å²	123.6	81%	0.806	64%	0.639	S	S	*	*			trans	-61.6	94.1	168.8	-68.6	-67.1	0	0	0	106.6	H495 E499	H495-H497 VanDerWaalsContact C-N 3.3Å; H495-H497 PolarHBondContact O-N 2.77Å; H497-E499 PolarHBondContact O-N 2.84Å
498	S	28.5	Very low	35.5	Very low	103 Å²	103	115.1 Å²	115.1	72%	0.72	60%	0.603	S	S	*	*			trans	-55.9	112.2	160.2	58.4	0	0	0	0	104.8	S496 R500	S496-S498 PolarHBondContact O-N 2.98Å; S498-R500 PolarHBondContact O-N 2.81Å
499	E	27.5	Very low	37.3	Very low	174 Å²	174	111.2 Å²	111.2	81%	0.813	57%	0.57	S	S	*	*			trans	-52.1	94.5	178.4	-71.1	174.5	157.2	0	0	108.2	H497 S501	H497-E499 PolarHBondContact O-N 2.84Å; E499-S501 VanDerWaalsContact C-N 3.25Å; E499-S501 PolarHBondContact O-N 2.92Å
500	R	28	Very low	39.2	Very low	214 Å²	214	106.5 Å²	106.5	81%	0.808	54%	0.537	S	S	*	.			trans	-64.6	99.2	171	-162.7	-178.3	-156.2	-168.1	6.7	103.2	S498 T502	S498-R500 PolarHBondContact O-N 2.81Å; R500-T502 HydrophobicContact CG-CG2 4.16Å; R500-T502 PolarHBondContact O-N 2.97Å
501	S	35.3	Very low	41.2	Very low	74 Å²	74	96.5 Å²	96.5	52%	0.517	49%	0.494	S	S	.	.			trans	-68.3	71.4	177.3	51.5	0	0	0	0	108.7	E499 I503	E499-S501 VanDerWaalsContact C-N 3.25Å; E499-S501 PolarHBondContact O-N 2.92Å; S501-I503 VanDerWaalsContact C-N 3.32Å; S501-I503 PolarHBondContact O-N 3.48Å
502	T	35.3	Very low	43.2	Very low	93 Å²	93	90.4 Å²	90.4	57%	0.571	46%	0.462	S	S	*	.			trans	-69.1	97	167.2	46.8	0	0	0	0	105.9	R500 P504	R500-T502 HydrophobicContact CG-CG2 4.16Å; R500-T502 PolarHBondContact O-N 2.97Å; T502-P504 WeakPolarHBondContact O-CD 3.43Å
503	I	42.6	Very low	45.5	Very low	22 Å²	22	81.4 Å²	81.4	11%	0.113	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-50.4	122.6	173.3	-55.2	173.9	0	0	0	107.6	S501 Y509 K543	S501-I503 VanDerWaalsContact C-N 3.32Å; S501-I503 PolarHBondContact O-N 3.48Å; I503-Y509 HydrophobicContact CD1-CD2 3.25Å; I503-Y509 HydrophobicContact CD1-CE2 3.13Å; I503-Y509 HydrophobicContact CD1-CG 4.35Å; I503-Y509 HydrophobicContact CG1-CD2 4Å; I503-Y509 HydrophobicContact CG1-CE2 3.33Å; I503-K543 HydrophobicContact CB-CB 4.45Å; I503-K543 HydrophobicContact CB-CD 4.28Å; I503-K543 HydrophobicContact CD1-CB 3.72Å; I503-K543 HydrophobicContact CD1-CD 3.81Å; I503-K543 HydrophobicContact CD1-CG 4.4Å; I503-K543 HydrophobicContact CG1-CD 4.04Å
504	P	43.2	Very low	47.7	Very low	70 Å²	70	77.2 Å²	77.2	46%	0.455	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-59.1	152.8	177.4	-20	29.9	0	0	0	111.2	T502 G506 Y507	T502-P504 WeakPolarHBondContact O-CD 3.43Å; P504-G506 PolarHBondContact O-N 3.19Å; P504-Y507 HydrophobicContact CB-CD2 3.8Å; P504-Y507 HydrophobicContact CB-CE2 4.01Å; P504-Y507 HydrophobicContact CG-CD2 4.32Å; P504-Y507 HydrophobicContact CG-CE2 4.49Å; P504-Y507 PolarHBondContact O-N 3.42Å
505	I	46.3	Very low	49.9	Very low	83 Å²	83	67.8 Å²	67.8	43%	0.426	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	134.4	177.7	-46.3	-163.2	0	0	0	109.8	S545 F547 Y548	I505-S545 WeakPolarHBondContact CD1-OG 3.39Å; I505-S545 VanDerWaalsContact CG1-CB 3.46Å; I505-S545 VanDerWaalsContact CG1-OG 3.3Å; I505-S545 WeakPolarHBondContact CG1-OG 3.45Å; I505-S545 WeakPolarHBondContact CG2-OG 3.24Å; I505-F547 HydrophobicContact CD1-CB 4.06Å; I505-Y548 HydrophobicContact CG2-CE2 4.01Å
506	G	55.7	Low	52	Low	18 Å²	18	62.2 Å²	62.2	19%	0.186	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-2.1	177.7	0	0	0	0	0	115.3	P504 Y658 I659	P504-G506 PolarHBondContact O-N 3.19Å; G506-Y658 WeakPolarHBondContact O-CD2 3.36Å; G506-I659 PolarHBondContact O-N 3.06Å
507	Y	61.5	Low	54	Low	47 Å²	47	57 Å²	57	18%	0.184	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	154.3	176.9	-66.6	-95.5	0	0	0	113.2	P36 P504 Q656 I657 Y658	P36-Y507 HydrophobicContact CB-CE1 4.18Å; P504-Y507 HydrophobicContact CB-CD2 3.8Å; P504-Y507 HydrophobicContact CB-CE2 4.01Å; P504-Y507 HydrophobicContact CG-CD2 4.32Å; P504-Y507 HydrophobicContact CG-CE2 4.49Å; P504-Y507 PolarHBondContact O-N 3.42Å; Y507-Q656 HydrophobicContact CD1-CG 3.77Å; Y507-Q656 VanDerWaalsContact CD1-NE2 3.28Å; Y507-Q656 HydrophobicContact CG-CG 4.24Å; Y507-I657 CarbonylContact C-O 3.5Å; Y507-I657 VanDerWaalsContact CA-O 3.26Å; Y507-I657 WeakPolarHBondContact CA-O 3.47Å; Y507-Y658 HydrophobicContact CD1-CD2 4.18Å; Y507-Y658 HydrophobicContact CD2-CD2 4.02Å; Y507-Y658 AromaticContact CE1-CD2 3.96Å; Y507-Y658 HydrophobicContact CE1-CD2 3.96Å; Y507-Y658 HydrophobicContact CE1-CG 4.25Å; Y507-Y658 AromaticContact CE2-CD2 3.76Å; Y507-Y658 HydrophobicContact CE2-CD2 3.76Å; Y507-Y658 HydrophobicContact CE2-CE2 4.24Å; Y507-Y658 HydrophobicContact CG-CD2 4.24Å; Y507-Y658 AromaticContact CZ-CD2 3.74Å
508	L	64.6	Low	56	Low	15 Å²	15	54.9 Å²	54.9	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.1	175.9	170.6	132.2	0	0	0	109.4	Q539 A541 C542 Q656 I657 I659	L508-Q539 HydrophobicContact CD2-CG 4.16Å; L508-A541 WeakPolarHBondContact CG-O 3.29Å; L508-C542 HydrophobicContact CD1-CB 3.83Å; L508-Q656 CarbonylContact O-C 3.48Å; L508-Q656 WeakPolarHBondContact O-CA 3Å; L508-I657 PolarHBondContact N-O 2.83Å; L508-I657 PolarHBondContact O-N 2.9Å; L508-I659 HydrophobicContact CB-CD1 3.24Å; L508-I659 HydrophobicContact CB-CG1 4.02Å; L508-I659 HydrophobicContact CD1-CD1 3.92Å; L508-I659 HydrophobicContact CG-CD1 4.11Å
509	Y	65.9	Low	57.4	Low	34 Å²	34	50.5 Å²	50.5	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.8	167.9	-74.5	-58.7	0	0	0	110.2	I503 F511 I540 H655 Q656	I503-Y509 HydrophobicContact CD1-CD2 3.25Å; I503-Y509 HydrophobicContact CD1-CE2 3.13Å; I503-Y509 HydrophobicContact CD1-CG 4.35Å; I503-Y509 HydrophobicContact CG1-CD2 4Å; I503-Y509 HydrophobicContact CG1-CE2 3.33Å; Y509-F511 HydrophobicContact CD2-CE2 4.46Å; Y509-F511 HydrophobicContact CD2-CZ 4.45Å; Y509-F511 HydrophobicContact CG-CE2 4.04Å; Y509-F511 HydrophobicContact CG-CZ 4.1Å; Y509-I540 CarbonylContact O-C 3.58Å; Y509-H655 CarbonylContact C-O 3.45Å; Y509-H655 WeakPolarHBondContact CA-O 3.35Å; Y509-Q656 HydrophobicContact CD1-CB 4Å; Y509-Q656 HydrophobicContact CD1-CG 4.34Å; Y509-Q656 HydrophobicContact CE1-CB 3.86Å; Y509-Q656 HydrophobicContact CE1-CG 4.08Å
510	L	70.4	Confident	58.8	Low	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.8	174.4	-176.9	68.8	0	0	0	107.7	Y40 L538 Q539 F653 R654 H655 I657	Y40-L510 HydrophobicContact CD1-CD2 3.39Å; Y40-L510 HydrophobicContact CE1-CD2 4.32Å; Y40-L510 HydrophobicContact CG-CD2 3.98Å; L510-L538 WeakPolarHBondContact CD1-O 3.09Å; L510-Q539 VanDerWaalsContact CD1-CA 3.45Å; L510-Q539 HydrophobicContact CD1-CB 4.15Å; L510-Q539 HydrophobicContact CD1-CG 3.8Å; L510-F653 HydrophobicContact CD2-CD2 4.36Å; L510-F653 HydrophobicContact CD2-CE2 3.94Å; L510-F653 HydrophobicContact CG-CD2 4.46Å; L510-F653 HydrophobicContact CG-CE2 4.02Å; L510-R654 CarbonylContact O-C 3.4Å; L510-R654 VanDerWaalsContact O-CA 3.28Å; L510-R654 WeakPolarHBondContact O-CA 3.5Å; L510-H655 HydrophobicContact CB-CB 4.26Å; L510-H655 PolarHBondContact N-O 3.41Å; L510-H655 PolarHBondContact O-N 3.26Å; L510-I657 HydrophobicContact CB-CD1 3.69Å; L510-I657 HydrophobicContact CB-CG1 4.12Å; L510-I657 HydrophobicContact CD1-CD1 4.43Å; L510-I657 HydrophobicContact CD2-CD1 3.56Å; L510-I657 HydrophobicContact CG-CD1 4.04Å
511	F	71.5	Confident	60	Low	3 Å²	3	40 Å²	40	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.4	175.6	-62.5	-86.3	0	0	0	110.2	L450 W452 L467 Y509 I540 F653 R654	L450-F511 HydrophobicContact CD1-CE1 3.49Å; L450-F511 VanDerWaalsContact CD1-CE1 3.49Å; L450-F511 HydrophobicContact CD1-CE2 4.43Å; L450-F511 HydrophobicContact CD1-CZ 3.32Å; W452-F511 HydrophobicContact CH2-CB 3.8Å; W452-F511 HydrophobicContact CH2-CD1 4.41Å; W452-F511 HydrophobicContact CH2-CD2 4.11Å; W452-F511 AromaticContact CH2-CG 3.87Å; W452-F511 HydrophobicContact CH2-CG 3.87Å; W452-F511 HydrophobicContact CZ2-CB 4.18Å; W452-F511 AromaticContact CZ2-CD1 3.95Å; W452-F511 HydrophobicContact CZ2-CD1 3.95Å; W452-F511 HydrophobicContact CZ2-CD2 4.19Å; W452-F511 HydrophobicContact CZ2-CE1 4.36Å; W452-F511 AromaticContact CZ2-CG 3.86Å; W452-F511 HydrophobicContact CZ2-CG 3.86Å; L467-F511 HydrophobicContact CD1-CD2 3.89Å; L467-F511 HydrophobicContact CD1-CE2 3.74Å; Y509-F511 HydrophobicContact CD2-CE2 4.46Å; Y509-F511 HydrophobicContact CD2-CZ 4.45Å; Y509-F511 HydrophobicContact CG-CE2 4.04Å; Y509-F511 HydrophobicContact CG-CZ 4.1Å; F511-I540 HydrophobicContact CB-CB 4.5Å; F511-I540 HydrophobicContact CB-CD1 4.49Å; F511-I540 HydrophobicContact CD2-CB 4.42Å; F511-F653 WeakPolarHBondContact CA-O 3.23Å; F511-R654 HydrophobicContact CD1-CB 4.17Å; F511-R654 HydrophobicContact CD1-CG 3.95Å; F511-R654 HydrophobicContact CE1-CB 4.21Å; F511-R654 HydrophobicContact CE1-CG 3.53Å; F511-R654 HydrophobicContact CZ-CG 4.23Å
512	G	72.9	Confident	60.5	Low	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.3	169.7	0	0	0	0	0	110.7	I537 L652 F653	G512-I537 WeakPolarHBondContact CA-O 3.14Å; G512-L652 PolarHBondContact O-N 2.87Å; G512-F653 VanDerWaalsContact CA-CE2 3.47Å; G512-F653 VanDerWaalsContact CA-CZ 3.43Å; G512-F653 VanDerWaalsContact N-CE2 3.33Å; G512-F653 PolarHBondContact N-O 3.47Å
513	C	74.1	Confident	60.7	Low	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.8	170	72.2	0	0	0	0	112.9	V621 I649 Q650 W651	C513-V621 VanDerWaalsContact SG-CG2 3.51Å; C513-I649 HydrophobicContact CB-CG2 4.26Å; C513-Q650 CarbonylContact C-O 3.59Å; C513-Q650 WeakPolarHBondContact CA-O 3.25Å; C513-Q650 VanDerWaalsContact CB-O 3.27Å; C513-Q650 WeakPolarHBondContact CB-O 3.27Å; C513-W651 HydrophobicContact CB-CD2 4.44Å; C513-W651 HydrophobicContact CB-CE3 3.85Å; C513-W651 HydrophobicContact CB-CZ3 4.07Å
514	K	74.6	Confident	60.9	Low	33 Å²	33	52.2 Å²	52.2	14%	0.143	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.7	-178.9	-176.2	175.9	-164.5	154.7	0	110.2	P532 E536 Q650	K514-P532 HydrophobicContact CD-CG 4.13Å; K514-P532 HydrophobicContact CG-CG 3.47Å; K514-P532 VanDerWaalsContact CG-CG 3.47Å; K514-E536 HydrophobicContact CB-CG 4.48Å; K514-E536 HydrophobicContact CD-CG 4.32Å; K514-E536 WeakPolarHBondContact CD-OE1 3.42Å; K514-E536 WeakPolarHBondContact CE-OE1 3.47Å; K514-E536 HydrophobicContact CG-CG 4.4Å; K514-E536 IonicContact NZ-OE1 3.33Å; K514-E536 PolarHBondContact NZ-OE1 2.8Å; K514-Q650 HydrophobicContact CB-CB 4.23Å; K514-Q650 PolarHBondContact N-O 3.09Å; K514-Q650 PolarHBondContact O-N 3.43Å
515	L	71	Confident	60.8	Low	5 Å²	5	56 Å²	56	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.7	-177.8	-71.1	165.9	0	0	0	110.7	V465 P532 V621 M623 I647 I649	V465-L515 HydrophobicContact CG2-CD1 4.5Å; V465-L515 HydrophobicContact CG2-CD2 3.72Å; L515-P532 WeakPolarHBondContact O-CB 3.46Å; L515-P532 WeakPolarHBondContact O-CD 3.31Å; L515-P532 WeakPolarHBondContact O-CG 3.47Å; L515-V621 HydrophobicContact CD1-CB 4.24Å; L515-V621 HydrophobicContact CD1-CG1 3.65Å; L515-V621 VanDerWaalsContact CD1-O 3.25Å; L515-V621 WeakPolarHBondContact CD1-O 3.37Å; L515-V621 HydrophobicContact CG-CG1 4.11Å; L515-M623 HydrophobicContact CD1-CB 4.31Å; L515-I647 HydrophobicContact CD2-CG2 4.13Å; L515-I649 HydrophobicContact CD2-CD1 4.45Å; L515-I649 HydrophobicContact CD2-CG1 3.76Å; L515-I649 HydrophobicContact CD2-CG2 4.47Å
516	R	72.9	Confident	60.3	Low	30 Å²	30	57.6 Å²	57.6	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147	175.4	-73.8	172.2	170.3	153.4	-3.8	110	E421 P532 E648	E421-R516 IonicContact OE1-NH1 3.67Å; E421-R516 PolarHBondContact OE1-NH1 3.03Å; E421-R516 IonicContact OE2-NH1 3.91Å; R516-P532 HydrophobicContact CG-CG 4.47Å; R516-E648 HydrophobicContact CB-CB 4.23Å; R516-E648 PolarHBondContact N-O 2.84Å; R516-E648 PolarHBondContact O-N 2.89Å
517	I	67.3	Low	59.6	Low	1 Å²	1	61 Å²	61	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.1	168.9	-70.4	-177.8	0	0	0	108.5	L462 M623 L630 I637 I645	L462-I517 HydrophobicContact CD2-CD1 3.55Å; I517-M623 HydrophobicContact CD1-CE 3.33Å; I517-M623 HydrophobicContact CD1-SD 3.46Å; I517-M623 WeakPolarHBondContact CD1-SD 3.46Å; I517-M623 HydrophobicContact CG1-CE 4.21Å; I517-M623 HydrophobicContact CG1-SD 3.69Å; I517-L630 HydrophobicContact CD1-CD2 4.42Å; I517-I637 HydrophobicContact CG2-CB 4.49Å; I517-I637 HydrophobicContact CG2-CG1 4.5Å; I517-I637 HydrophobicContact CG2-CG2 3.27Å; I517-I645 HydrophobicContact CD1-CG2 4.44Å; I517-I645 HydrophobicContact CG1-CG2 4.49Å; I517-I645 HydrophobicContact CG2-CG2 3.87Å
518	R	65.9	Low	58.5	Low	129 Å²	129	60.9 Å²	60.9	49%	0.487	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119	174.8	-164.8	178.6	-173.8	169.3	-3.4	109.6	T646 E648	R518-T646 HydrophobicContact CB-CG2 4.3Å; R518-T646 PolarHBondContact N-O 3.42Å; R518-E648 HydrophobicContact CB-CG 4.48Å; R518-E648 WeakPolarHBondContact CD-OE1 3.28Å; R518-E648 IonicContact NH1-OE1 4Å
519	G	59.1	Low	57.5	Low	12 Å²	12	63.5 Å²	63.5	12%	0.124	33%	0.328	C	S	.	.			trans	-63.6	136	170	0	0	0	0	0	112.1	Q521 C528 G636	G519-Q521 PolarHBondContact O-N 3.35Å; G519-C528 PolarHBondContact N-O 2.92Å; G519-G636 CarbonylContact C-O 3.6Å
520	Y	56.1	Low	56.6	Low	81 Å²	81	63.3 Å²	63.3	32%	0.318	33%	0.33	S	S	.	.			trans	-82.4	94.7	165.9	-174.9	-87.5	0	0	0	110.1	G636 N639 P640	Y520-G636 CarbonylContact C-O 3.46Å; Y520-G636 WeakPolarHBondContact CA-O 3.37Å; Y520-G636 WeakPolarHBondContact CB-O 3.39Å; Y520-G636 PolarHBondContact N-O 2.78Å; Y520-N639 HydrophobicContact CD2-CB 3.63Å; Y520-N639 HydrophobicContact CE2-CB 4Å; Y520-N639 VanDerWaalsContact CE2-OD1 3.26Å; Y520-N639 WeakPolarHBondContact CE2-OD1 3.39Å; Y520-N639 HydrophobicContact CG-CB 4.16Å; Y520-P640 HydrophobicContact CD1-CG 4.04Å; Y520-P640 HydrophobicContact CE1-CG 3.53Å
521	Q	53.9	Low	55.4	Low	86 Å²	86	68.7 Å²	68.7	40%	0.402	36%	0.355	S	S	.	.			trans	-114.2	130.2	169.1	-78	-166.4	7.6	0	0	112.3	G519 N523 N526	G519-Q521 PolarHBondContact O-N 3.35Å; Q521-N523 VanDerWaalsContact C-N 3.29Å; Q521-N526 PolarHBondContact NE2-O 3.26Å; Q521-N526 PolarHBondContact OE1-O 2.87Å
522	S	45.3	Very low	54.1	Low	105 Å²	105	69.6 Å²	69.6	73%	0.734	36%	0.361	S	S	*	.	S	Bend	trans	-74.5	-15.4	173.6	-175	0	0	0	0	113.3
523	N	39.7	Very low	52.4	Low	129 Å²	129	74.3 Å²	74.3	69%	0.69	39%	0.389	S	S	*	.	S	Bend	trans	-109.4	122.7	-177.4	-79.7	-10.4	0	0	0	110.7	Q521 N525	Q521-N523 VanDerWaalsContact C-N 3.29Å; N523-N525 PolarHBondContact O-N 2.96Å
524	K	47.8	Very low	50.9	Low	212 Å²	212	75.8 Å²	75.8	92%	0.922	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-2.5	-165.5	-74.9	179.9	174.5	176.6	0	117.6
525	N	40.2	Very low	49.5	Very low	148 Å²	148	83.6 Å²	83.6	79%	0.791	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-10.6	-167.4	-74.1	4.8	0	0	0	117	N523	N523-N525 PolarHBondContact O-N 2.96Å
526	N	37	Very low	48.5	Very low	118 Å²	118	85.7 Å²	85.7	63%	0.631	45%	0.448	S	S	*	.			trans	-131.3	48.7	-172.5	-85	-4.4	0	0	0	114.3	Q521 C528	Q521-N526 PolarHBondContact NE2-O 3.26Å; Q521-N526 PolarHBondContact OE1-O 2.87Å; N526-C528 PolarHBondContact O-N 2.89Å
527	S	39.4	Very low	47.4	Very low	90 Å²	90	85.7 Å²	85.7	63%	0.629	45%	0.45	S	S	*	.			trans	-53.3	103.4	172.5	60.3	0	0	0	0	110.4	V529	S527-V529 PolarHBondContact O-N 3.08Å
528	C	38.9	Very low	46.4	Very low	43 Å²	43	89.9 Å²	89.9	29%	0.291	47%	0.472	S	S	.	.			trans	-73.3	89.3	170.1	-171.3	0	0	0	0	105.5	G519 N526 I530	G519-C528 PolarHBondContact N-O 2.92Å; N526-C528 PolarHBondContact O-N 2.89Å; C528-I530 PolarHBondContact O-N 2.88Å
529	V	44.5	Very low	45.3	Very low	70 Å²	70	87.8 Å²	87.8	42%	0.424	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	103.4	164	179.1	0	0	0	0	104.3	S527 E531	S527-V529 PolarHBondContact O-N 3.08Å; V529-E531 HydrophobicContact CG1-CG 4.47Å; V529-E531 PolarHBondContact O-N 3.28Å; V529-E531 VanDerWaalsContact O-N 3.09Å
530	I	45.9	Very low	44.5	Very low	31 Å²	31	87.2 Å²	87.2	16%	0.159	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	102.6	169.5	-52.7	176.2	0	0	0	104.9	C528 I625 M635 I637	C528-I530 PolarHBondContact O-N 2.88Å; I530-I625 HydrophobicContact CB-CD1 4.32Å; I530-I625 HydrophobicContact CG2-CD1 3.46Å; I530-I625 VanDerWaalsContact CG2-CD1 3.46Å; I530-M635 HydrophobicContact CD1-CE 3.53Å; I530-M635 HydrophobicContact CG1-CE 4.01Å; I530-I637 HydrophobicContact CD1-CD1 3.32Å; I530-I637 HydrophobicContact CD1-CG1 3.95Å
531	E	45.5	Very low	43.9	Very low	117 Å²	117	84.7 Å²	84.7	55%	0.547	46%	0.458	S	S	.	.			trans	-61.7	140.6	171.7	-62.5	-160.2	139.2	0	0	108.4	V529 V533	V529-E531 HydrophobicContact CG1-CG 4.47Å; V529-E531 PolarHBondContact O-N 3.28Å; V529-E531 VanDerWaalsContact O-N 3.09Å; E531-V533 PolarHBondContact O-N 2.9Å
532	P	44.7	Very low	43.1	Very low	22 Å²	22	82.4 Å²	82.4	14%	0.143	45%	0.451	C	S	.	.			trans	-59.9	109.6	169.6	23.8	-30.5	0	0	0	107.9	K514 L515 R516 G534	K514-P532 HydrophobicContact CD-CG 4.13Å; K514-P532 HydrophobicContact CG-CG 3.47Å; K514-P532 VanDerWaalsContact CG-CG 3.47Å; L515-P532 WeakPolarHBondContact O-CB 3.46Å; L515-P532 WeakPolarHBondContact O-CD 3.31Å; L515-P532 WeakPolarHBondContact O-CG 3.47Å; R516-P532 HydrophobicContact CG-CG 4.47Å; P532-G534 PolarHBondContact O-N 2.84Å
533	V	37.6	Very low	42.6	Very low	99 Å²	99	80.9 Å²	80.9	60%	0.6	43%	0.431	S	S	*	.			trans	-65.4	121.5	148.8	-160	0	0	0	0	103.7	E531 E624	E531-V533 PolarHBondContact O-N 2.9Å; V533-E624 HydrophobicContact CB-CB 4.33Å; V533-E624 VanDerWaalsContact CG1-OE2 3.3Å; V533-E624 WeakPolarHBondContact CG1-OE2 3.4Å; V533-E624 WeakPolarHBondContact O-CB 3.43Å; V533-E624 PolarHBondContact O-N 2.96Å
534	G	41.9	Very low	42.4	Very low	30 Å²	30	79.9 Å²	79.9	31%	0.309	42%	0.42	S	S	.	.	S	Bend	trans	146.2	141.2	-177.4	0	0	0	0	0	112.1	P532 E536 E624	P532-G534 PolarHBondContact O-N 2.84Å; G534-E536 PolarHBondContact O-N 2.87Å; G534-E536 VanDerWaalsContact O-N 3.12Å; G534-E624 WeakPolarHBondContact CA-OE2 3.24Å; G534-E624 PolarHBondContact N-OE2 2.87Å
535	K	44.8	Very low	41.7	Very low	197 Å²	197	71 Å²	71	86%	0.857	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-56.5	119.4	178.7	-67.7	-175.2	177.8	-175.6	0	109.4	I537	K535-I537 PolarHBondContact O-N 2.86Å; K535-I537 VanDerWaalsContact O-N 3.13Å
536	E	50.3	Low	41.2	Very low	50 Å²	50	68.5 Å²	68.5	23%	0.234	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-50.2	119.6	160	-64.7	177.4	-179.4	0	0	106.5	N44 K514 G534 L538	N44-E536 PolarHBondContact ND2-OE2 2.8Å; N44-E536 PolarHBondContact OD1-OE2 3.16Å; K514-E536 HydrophobicContact CB-CG 4.48Å; K514-E536 HydrophobicContact CD-CG 4.32Å; K514-E536 WeakPolarHBondContact CD-OE1 3.42Å; K514-E536 WeakPolarHBondContact CE-OE1 3.47Å; K514-E536 HydrophobicContact CG-CG 4.4Å; K514-E536 IonicContact NZ-OE1 3.33Å; K514-E536 PolarHBondContact NZ-OE1 2.8Å; G534-E536 PolarHBondContact O-N 2.87Å; G534-E536 VanDerWaalsContact O-N 3.12Å; E536-L538 PolarHBondContact O-N 2.87Å
537	I	49.5	Very low	40.8	Very low	29 Å²	29	70.1 Å²	70.1	15%	0.149	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-69.1	131.7	-172.6	-74.9	-150.6	0	0	0	109.5	G512 K535 I540 V619 V621	G512-I537 WeakPolarHBondContact CA-O 3.14Å; K535-I537 PolarHBondContact O-N 2.86Å; K535-I537 VanDerWaalsContact O-N 3.13Å; I537-I540 HydrophobicContact CG2-CD1 3.75Å; I537-I540 HydrophobicContact CG2-CG1 3.48Å; I537-I540 VanDerWaalsContact CG2-CG1 3.48Å; I537-V619 HydrophobicContact CD1-CG1 4.09Å; I537-V621 HydrophobicContact CB-CG2 3.83Å; I537-V621 HydrophobicContact CD1-CB 3.83Å; I537-V621 HydrophobicContact CD1-CG1 4.25Å; I537-V621 HydrophobicContact CD1-CG2 3.52Å; I537-V621 HydrophobicContact CG1-CB 4.08Å; I537-V621 HydrophobicContact CG1-CG1 3.97Å; I537-V621 HydrophobicContact CG1-CG2 3.75Å; I537-V621 HydrophobicContact CG2-CG2 4.23Å
538	L	46	Very low	40.4	Very low	90 Å²	90	71.2 Å²	71.2	47%	0.471	36%	0.364	S	S	.	.			trans	-109.8	21.7	-179.5	-83.4	162.2	0	0	0	112.5	L510 E536 F653	L510-L538 WeakPolarHBondContact CD1-O 3.09Å; E536-L538 PolarHBondContact O-N 2.87Å; L538-F653 HydrophobicContact CD2-CE2 4.43Å; L538-F653 HydrophobicContact CD2-CZ 3.71Å
539	Q	42.7	Very low	40	Very low	84 Å²	84	74.6 Å²	74.6	39%	0.393	38%	0.38	S	S	.	.			trans	-172.8	116.6	175.8	-126.3	170.4	-9.8	0	0	113.2	L508 L510 V619	L508-Q539 HydrophobicContact CD2-CG 4.16Å; L510-Q539 VanDerWaalsContact CD1-CA 3.45Å; L510-Q539 HydrophobicContact CD1-CB 4.15Å; L510-Q539 HydrophobicContact CD1-CG 3.8Å; Q539-V619 WeakPolarHBondContact O-CG1 3.26Å
540	I	42.7	Very low	39.2	Very low	1 Å²	1	78.6 Å²	78.6	1%	0.005	39%	0.394	C	S	.	.			trans	-141.2	124.8	174.7	-47.6	-178.5	0	0	0	111.7	W452 L467 Y509 F511 I537 V619 V621	W452-I540 HydrophobicContact CH2-CB 4.48Å; W452-I540 HydrophobicContact CH2-CD1 3.8Å; W452-I540 HydrophobicContact CH2-CG2 4.31Å; W452-I540 HydrophobicContact CZ3-CD1 3.6Å; W452-I540 HydrophobicContact CZ3-CG2 4.14Å; L467-I540 HydrophobicContact CB-CG2 4.37Å; L467-I540 HydrophobicContact CD1-CB 4.38Å; L467-I540 HydrophobicContact CD1-CG2 3.7Å; L467-I540 HydrophobicContact CG-CG2 4.19Å; Y509-I540 CarbonylContact O-C 3.58Å; F511-I540 HydrophobicContact CB-CB 4.5Å; F511-I540 HydrophobicContact CB-CD1 4.49Å; F511-I540 HydrophobicContact CD2-CB 4.42Å; I537-I540 HydrophobicContact CG2-CD1 3.75Å; I537-I540 HydrophobicContact CG2-CG1 3.48Å; I537-I540 VanDerWaalsContact CG2-CG1 3.48Å; I540-V619 HydrophobicContact CG2-CB 4.44Å; I540-V621 HydrophobicContact CD1-CG2 3.56Å
541	A	43.6	Very low	38.5	Very low	28 Å²	28	81 Å²	81	23%	0.231	41%	0.413	C	S	.	.			trans	76.6	110.1	163	0	0	0	0	0	118.4	L467 L508	L467-A541 HydrophobicContact CB-CB 4.35Å; L467-A541 HydrophobicContact CD1-CB 3.43Å; L467-A541 VanDerWaalsContact CD1-CB 3.43Å; L508-A541 WeakPolarHBondContact CG-O 3.29Å
542	C	37.7	Very low	37.7	Very low	38 Å²	38	80.9 Å²	80.9	26%	0.257	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-88.5	127	162.2	-178.5	0	0	0	0	109.3	L508	L508-C542 HydrophobicContact CD1-CB 3.83Å
543	K	33.9	Very low	36.8	Very low	72 Å²	72	83.8 Å²	83.8	31%	0.313	44%	0.436	S	S	.	.			trans	-92.4	105.2	162.1	-164.1	167.5	-171.9	159	0	106.6	E470 I503 S545	E470-K543 VanDerWaalsContact CD-NZ 3.29Å; E470-K543 IonicContact OE1-NZ 2.73Å; E470-K543 PolarHBondContact OE1-NZ 3.36Å; E470-K543 VanDerWaalsContact OE1-NZ 3.13Å; E470-K543 WeakPolarHBondContact OE2-CE 3.39Å; E470-K543 IonicContact OE2-NZ 2.9Å; E470-K543 PolarHBondContact OE2-NZ 3.23Å; I503-K543 HydrophobicContact CB-CB 4.45Å; I503-K543 HydrophobicContact CB-CD 4.28Å; I503-K543 HydrophobicContact CD1-CB 3.72Å; I503-K543 HydrophobicContact CD1-CD 3.81Å; I503-K543 HydrophobicContact CD1-CG 4.4Å; I503-K543 HydrophobicContact CG1-CD 4.04Å; K543-S545 PolarHBondContact O-N 2.82Å
544	K	36.8	Very low	36.6	Very low	109 Å²	109	85 Å²	85	47%	0.474	45%	0.447	S	S	.	.			trans	-68.6	117.7	167.9	-84.8	-174.6	176.1	176	0	107.5	N570	K544-N570 PolarHBondContact NZ-OD1 3.02Å
545	S	32.4	Very low	36.2	Very low	26 Å²	26	90.9 Å²	90.9	18%	0.182	47%	0.471	C	S	.	.			trans	-65.5	142.5	172.6	58.8	0	0	0	0	111.6	I505 K543 F547	I505-S545 WeakPolarHBondContact CD1-OG 3.39Å; I505-S545 VanDerWaalsContact CG1-CB 3.46Å; I505-S545 VanDerWaalsContact CG1-OG 3.3Å; I505-S545 WeakPolarHBondContact CG1-OG 3.45Å; I505-S545 WeakPolarHBondContact CG2-OG 3.24Å; K543-S545 PolarHBondContact O-N 2.82Å; S545-F547 PolarHBondContact O-N 2.78Å
546	D	29.7	Very low	35.4	Very low	94 Å²	94	91.5 Å²	91.5	50%	0.503	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20	-171.8	-76.3	-31.6	0	0	0	116.3	K472 Y548 N549	K472-D546 WeakPolarHBondContact CE-OD1 3.15Å; K472-D546 IonicContact NZ-OD1 2.65Å; K472-D546 PolarHBondContact NZ-OD1 2.77Å; K472-D546 IonicContact NZ-OD2 2.81Å; K472-D546 PolarHBondContact NZ-OD2 2.9Å; D546-Y548 VanDerWaalsContact C-N 3.25Å; D546-Y548 PolarHBondContact O-N 3.38Å; D546-Y548 VanDerWaalsContact O-N 3.16Å; D546-N549 PolarHBondContact O-N 2.72Å
547	F	29.3	Very low	34.5	Very low	152 Å²	152	98.3 Å²	98.3	67%	0.667	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-23.1	-174.7	-118.3	-85.1	0	0	0	115.2	I505 S545 S551	I505-F547 HydrophobicContact CD1-CB 4.06Å; S545-F547 PolarHBondContact O-N 2.78Å; F547-S551 PolarHBondContact O-OG 2.81Å
548	Y	30.5	Very low	33.6	Very low	114 Å²	114	105.6 Å²	105.6	45%	0.447	53%	0.53	S	S	.	.	H	α-helix	trans	-85.1	-15	-178.1	-78.6	-74	0	0	0	114.4	I505 D546 S551	I505-Y548 HydrophobicContact CG2-CE2 4.01Å; D546-Y548 VanDerWaalsContact C-N 3.25Å; D546-Y548 PolarHBondContact O-N 3.38Å; D546-Y548 VanDerWaalsContact O-N 3.16Å; Y548-S551 PolarHBondContact O-OG 2.78Å
549	N	29	Very low	32.8	Very low	114 Å²	114	109.5 Å²	109.5	61%	0.61	55%	0.546	S	S	*	.	H	α-helix	trans	-84	-30.1	177.6	-77.9	-24.2	0	0	0	112.3	D546 S551 L552	D546-N549 PolarHBondContact O-N 2.72Å; N549-S551 VanDerWaalsContact C-N 3.32Å; N549-S551 PolarHBondContact O-N 3.05Å; N549-L552 PolarHBondContact O-N 3.03Å
550	E	28.7	Very low	32.1	Very low	154 Å²	154	110.6 Å²	110.6	72%	0.72	56%	0.563	S	S	*	*	H	α-helix	trans	-70.1	-30.3	176.4	-74.4	-168.4	156.6	0	0	112.9	L552 S553	E550-L552 PolarHBondContact O-N 3.41Å; E550-S553 PolarHBondContact O-N 3.07Å; E550-S553 PolarHBondContact O-OG 2.93Å
551	S	30.3	Very low	31.6	Very low	80 Å²	80	114.6 Å²	114.6	56%	0.559	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-5.8	175.2	32.4	0	0	0	0	113.6	F547 Y548 N549 S553	F547-S551 PolarHBondContact O-OG 2.81Å; Y548-S551 PolarHBondContact O-OG 2.78Å; N549-S551 VanDerWaalsContact C-N 3.32Å; N549-S551 PolarHBondContact O-N 3.05Å; S551-S553 VanDerWaalsContact C-N 3.31Å
552	L	28.9	Very low	30.9	Very low	115 Å²	115	119.8 Å²	119.8	60%	0.602	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	16.4	171	-73.3	165.6	0	0	0	113.3	N549 E550	N549-L552 PolarHBondContact O-N 3.03Å; E550-L552 PolarHBondContact O-N 3.41Å
553	S	25.7	Very low	30.7	Very low	83 Å²	83	123.9 Å²	123.9	58%	0.58	65%	0.646	S	S	*	*			trans	-61.9	121.9	162.4	45.2	0	0	0	0	108.8	E550 S551 N555	E550-S553 PolarHBondContact O-N 3.07Å; E550-S553 PolarHBondContact O-OG 2.93Å; S551-S553 VanDerWaalsContact C-N 3.31Å; S553-N555 PolarHBondContact O-N 2.67Å
554	P	34.6	Very low	30.8	Very low	126 Å²	126	124 Å²	124	82%	0.818	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	4.9	-154.3	-19.7	32.9	0	0	0	117.2
555	N	32	Very low	31	Very low	152 Å²	152	121.8 Å²	121.8	81%	0.813	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	11.2	-160.1	-84.9	-0.7	0	0	0	117	S553	S553-N555 PolarHBondContact O-N 2.67Å
556	R	29.4	Very low	31.2	Very low	210 Å²	210	124.4 Å²	124.4	79%	0.792	66%	0.658	S	S	*	*	S	Bend	trans	-137.2	136.7	167.4	-84.8	-176.3	-116.4	-170.5	-0.7	111.3
557	F	30.7	Very low	31.9	Very low	193 Å²	193	120.4 Å²	120.4	85%	0.846	64%	0.637	S	S	*	*			trans	85.4	57.3	178.2	-45.7	-70.5	0	0	0	116.6	H559	F557-H559 PolarHBondContact O-N 3.24Å
558	Q	31	Very low	32.7	Very low	182 Å²	182	116.6 Å²	116.6	85%	0.85	62%	0.624	S	S	*	*			trans	-73.5	104.9	133.1	-72.1	-178.9	-0.9	0	0	105.7
559	H	28.2	Very low	33.5	Very low	173 Å²	173	113.3 Å²	113.3	80%	0.801	61%	0.614	S	S	*	*			trans	165.9	136.7	149.1	-81.3	-52.3	0	0	0	109.9	F557	F557-H559 PolarHBondContact O-N 3.24Å
560	S	29.4	Very low	34.5	Very low	107 Å²	107	108.2 Å²	108.2	75%	0.748	59%	0.586	S	S	*	*			trans	74.5	84.4	169.7	67.4	0	0	0	0	119.2	I562	S560-I562 VanDerWaalsContact C-N 3.27Å; S560-I562 PolarHBondContact O-N 3.33Å
561	G	30.8	Very low	35.6	Very low	84 Å²	84	102 Å²	102	87%	0.866	56%	0.558	S	S	*	*				64.5	-2.4	103.5	0	0	0	0	0	121.6
562	I	30.8	Very low	36.5	Very low	138 Å²	138	101.9 Å²	101.9	71%	0.708	55%	0.551	S	S	*	*			trans	-107.3	88.4	176	-42.6	-179.2	0	0	0	108.4	S560 V564	S560-I562 VanDerWaalsContact C-N 3.27Å; S560-I562 PolarHBondContact O-N 3.33Å; I562-V564 HydrophobicContact CB-CG2 4.06Å; I562-V564 HydrophobicContact CG2-CG2 3.34Å; I562-V564 WeakPolarHBondContact O-CG2 3.44Å; I562-V564 PolarHBondContact O-N 2.73Å
563	N	31.6	Very low	37.5	Very low	124 Å²	124	97.7 Å²	97.7	66%	0.663	53%	0.529	S	S	*	.			trans	-74.6	75.1	173.3	-79.3	-33.8	0	0	0	109.6
564	V	37.7	Very low	38.7	Very low	75 Å²	75	93.9 Å²	93.9	46%	0.455	50%	0.501	S	S	.	.			trans	-69.8	148.6	-177.7	176.1	0	0	0	0	111.1	I562 Q566	I562-V564 HydrophobicContact CB-CG2 4.06Å; I562-V564 HydrophobicContact CG2-CG2 3.34Å; I562-V564 WeakPolarHBondContact O-CG2 3.44Å; I562-V564 PolarHBondContact O-N 2.73Å; V564-Q566 PolarHBondContact O-N 3.49Å
565	P	39.6	Very low	39.5	Very low	61 Å²	61	96.1 Å²	96.1	40%	0.396	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-29.1	-11	-172.6	-3.8	-21.6	0	0	0	123.2	N567 N568 L569	P565-N567 PolarHBondContact O-N 3.44Å; P565-N567 VanDerWaalsContact O-N 3.15Å; P565-N568 PolarHBondContact O-N 2.8Å; P565-N568 VanDerWaalsContact O-N 3.14Å; P565-L569 PolarHBondContact O-N 2.87Å
566	Q	36.9	Very low	40.2	Very low	81 Å²	81	94.3 Å²	94.3	38%	0.379	48%	0.484	S	S	.	.	H	α-helix	trans	-49.7	-39.1	173.7	-71.6	-173.5	-10.2	0	0	112.3	V564 N570	V564-Q566 PolarHBondContact O-N 3.49Å; Q566-N570 VanDerWaalsContact O-CB 3.27Å; Q566-N570 WeakPolarHBondContact O-CB 3.47Å; Q566-N570 PolarHBondContact O-N 3.17Å; Q566-N570 VanDerWaalsContact O-N 3.09Å; Q566-N570 PolarHBondContact O-ND2 2.78Å
567	N	44.6	Very low	41.2	Very low	11 Å²	11	84.9 Å²	84.9	6%	0.059	45%	0.449	C	S	.	.	H	α-helix	trans	-65.1	-41.6	-178.5	-79.7	-12.4	0	0	0	112.5	P565 L569 N570 I571 V598 M599	P565-N567 PolarHBondContact O-N 3.44Å; P565-N567 VanDerWaalsContact O-N 3.15Å; N567-L569 PolarHBondContact O-N 2.66Å; N567-N570 PolarHBondContact O-N 3.1Å; N567-I571 HydrophobicContact CB-CD1 4.49Å; N567-I571 VanDerWaalsContact O-CB 3.27Å; N567-I571 WeakPolarHBondContact O-CB 3.28Å; N567-I571 WeakPolarHBondContact O-CD1 3.27Å; N567-I571 WeakPolarHBondContact O-CG1 3.45Å; N567-I571 PolarHBondContact O-N 2.69Å; N567-V598 WeakPolarHBondContact ND2-CG1 3.33Å; N567-M599 HydrophobicContact CB-CB 4.47Å; N567-M599 PolarHBondContact ND2-N 3.34Å; N567-M599 PolarHBondContact ND2-O 2.75Å; N567-M599 PolarHBondContact OD1-O 2.73Å; N567-M599 VanDerWaalsContact OD1-O 3.1Å
568	N	46.6	Very low	41.9	Very low	72 Å²	72	77.7 Å²	77.7	39%	0.385	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-42.3	-178.2	-73.7	-13.2	0	0	0	112.2	P565 I571 L572	P565-N568 PolarHBondContact O-N 2.8Å; P565-N568 VanDerWaalsContact O-N 3.14Å; N568-I571 PolarHBondContact O-N 3.45Å; N568-L572 WeakPolarHBondContact O-CB 3.43Å; N568-L572 PolarHBondContact O-N 3.45Å
569	L	47.4	Very low	42.8	Very low	45 Å²	45	77.8 Å²	77.8	24%	0.236	42%	0.419	C	S	.	.	H	α-helix	trans	-70.4	-41.2	-179.1	-148.4	146.4	0	0	0	111.2	P565 N567 L572 L573 I659	P565-L569 PolarHBondContact O-N 2.87Å; N567-L569 PolarHBondContact O-N 2.66Å; L569-L572 PolarHBondContact O-N 3.35Å; L569-L573 HydrophobicContact CD2-CD1 4.01Å; L569-L573 HydrophobicContact CD2-CG 4.4Å; L569-L573 WeakPolarHBondContact O-CG 3.04Å; L569-L573 PolarHBondContact O-N 3.24Å; L569-I659 HydrophobicContact CD1-CD1 4.23Å; L569-I659 HydrophobicContact CD1-CG2 3.77Å
570	N	49.9	Very low	44.1	Very low	7 Å²	7	76.9 Å²	76.9	4%	0.037	41%	0.41	C	S	.	.	H	α-helix	trans	-65.2	-38.3	174	-66.4	-25.5	0	0	0	111.3	K544 Q566 N567 L573 I574 M599 L610	K544-N570 PolarHBondContact NZ-OD1 3.02Å; Q566-N570 VanDerWaalsContact O-CB 3.27Å; Q566-N570 WeakPolarHBondContact O-CB 3.47Å; Q566-N570 PolarHBondContact O-N 3.17Å; Q566-N570 VanDerWaalsContact O-N 3.09Å; Q566-N570 PolarHBondContact O-ND2 2.78Å; N567-N570 PolarHBondContact O-N 3.1Å; N570-L573 PolarHBondContact O-N 3.25Å; N570-I574 VanDerWaalsContact O-CG1 3.29Å; N570-I574 WeakPolarHBondContact O-CG1 3.46Å; N570-I574 PolarHBondContact O-N 3.12Å; N570-M599 HydrophobicContact CB-CE 3.22Å; N570-L610 HydrophobicContact CB-CD1 3.67Å; N570-L610 HydrophobicContact CB-CD2 4.46Å
571	I	51.6	Low	44.9	Very low	23 Å²	23	74.5 Å²	74.5	12%	0.118	39%	0.388	C	S	.	.	H	α-helix	trans	-64.8	-43	174.1	-71.4	163.7	0	0	0	110.5	N567 N568 L573 I574 R575 M599	N567-I571 HydrophobicContact CB-CD1 4.49Å; N567-I571 VanDerWaalsContact O-CB 3.27Å; N567-I571 WeakPolarHBondContact O-CB 3.28Å; N567-I571 WeakPolarHBondContact O-CD1 3.27Å; N567-I571 WeakPolarHBondContact O-CG1 3.45Å; N567-I571 PolarHBondContact O-N 2.69Å; N568-I571 PolarHBondContact O-N 3.45Å; I571-L573 PolarHBondContact O-N 2.92Å; I571-I574 PolarHBondContact O-N 2.9Å; I571-R575 VanDerWaalsContact O-CB 3.27Å; I571-R575 WeakPolarHBondContact O-CB 3.45Å; I571-R575 PolarHBondContact O-N 3.47Å; I571-M599 HydrophobicContact CD1-CB 4.43Å; I571-M599 HydrophobicContact CG1-CB 4.19Å; I571-M599 HydrophobicContact CG1-CE 3.89Å; I571-M599 HydrophobicContact CG1-CG 4.23Å
572	L	49.2	Very low	46	Very low	78 Å²	78	71.9 Å²	71.9	41%	0.408	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-45.6	177	-165.2	91.4	0	0	0	111.5	N568 L569 I574 R575 N576	N568-L572 WeakPolarHBondContact O-CB 3.43Å; N568-L572 PolarHBondContact O-N 3.45Å; L569-L572 PolarHBondContact O-N 3.35Å; L572-I574 VanDerWaalsContact C-N 3.33Å; L572-I574 PolarHBondContact O-N 2.95Å; L572-R575 PolarHBondContact O-N 3.33Å; L572-N576 PolarHBondContact O-N 2.9Å; L572-N576 VanDerWaalsContact O-N 3.13Å; L572-N576 PolarHBondContact O-ND2 2.92Å
573	L	50.6	Low	47.2	Very low	27 Å²	27	71.4 Å²	71.4	14%	0.141	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-42.3	176	-73.5	171.2	0	0	0	111.7	L569 N570 I571 A613 S617	L569-L573 HydrophobicContact CD2-CD1 4.01Å; L569-L573 HydrophobicContact CD2-CG 4.4Å; L569-L573 WeakPolarHBondContact O-CG 3.04Å; L569-L573 PolarHBondContact O-N 3.24Å; N570-L573 PolarHBondContact O-N 3.25Å; I571-L573 PolarHBondContact O-N 2.92Å; L573-A613 HydrophobicContact CB-CB 3.97Å; L573-S617 WeakPolarHBondContact CD2-OG 3.31Å
574	I	49.7	Very low	48.4	Very low	2 Å²	2	72.4 Å²	72.4	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-70.1	-40	177.4	-68.7	174.7	0	0	0	111.6	N570 I571 L572 N576 L577 L590 M599 L609 L610 A613	N570-I574 VanDerWaalsContact O-CG1 3.29Å; N570-I574 WeakPolarHBondContact O-CG1 3.46Å; N570-I574 PolarHBondContact O-N 3.12Å; I571-I574 PolarHBondContact O-N 2.9Å; L572-I574 VanDerWaalsContact C-N 3.33Å; L572-I574 PolarHBondContact O-N 2.95Å; I574-N576 PolarHBondContact O-N 2.73Å; I574-L577 WeakPolarHBondContact O-CB 3.47Å; I574-L577 PolarHBondContact O-N 3.2Å; I574-L590 HydrophobicContact CG2-CD1 3.67Å; I574-L590 HydrophobicContact CG2-CD2 3.89Å; I574-L590 HydrophobicContact CG2-CG 3.58Å; I574-M599 HydrophobicContact CD1-CE 3.37Å; I574-M599 HydrophobicContact CD1-SD 3.46Å; I574-M599 WeakPolarHBondContact CD1-SD 3.47Å; I574-M599 HydrophobicContact CG1-CE 4.38Å; I574-L609 HydrophobicContact CD1-CB 3.81Å; I574-L609 HydrophobicContact CG1-CB 4.12Å; I574-L609 HydrophobicContact CG2-CB 4.31Å; I574-L609 HydrophobicContact CG2-CD1 4.27Å; I574-L610 HydrophobicContact CD1-CB 4.41Å; I574-A613 HydrophobicContact CG1-CB 4.03Å
575	R	51.5	Low	49.5	Very low	174 Å²	174	75.1 Å²	75.1	66%	0.657	37%	0.365	S	S	*	.	H	α-helix	trans	-61.9	-31.3	179	-174	176.8	178.1	177.5	0.6	112.3	I571 L572 L577	I571-R575 VanDerWaalsContact O-CB 3.27Å; I571-R575 WeakPolarHBondContact O-CB 3.45Å; I571-R575 PolarHBondContact O-N 3.47Å; L572-R575 PolarHBondContact O-N 3.33Å; R575-L577 VanDerWaalsContact C-N 3.32Å
576	N	47	Very low	50.4	Low	113 Å²	113	72.7 Å²	72.7	60%	0.604	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	4.6	177.8	-69.7	-25.8	0	0	0	113.7	L572 I574	L572-N576 PolarHBondContact O-N 2.9Å; L572-N576 VanDerWaalsContact O-N 3.13Å; L572-N576 PolarHBondContact O-ND2 2.92Å; I574-N576 PolarHBondContact O-N 2.73Å
577	L	49.4	Very low	51.5	Low	13 Å²	13	70.9 Å²	70.9	7%	0.068	35%	0.348	C	S	.	.	S	Bend	trans	-63.9	133	173.2	-104.8	115.2	0	0	0	110.8	I574 R575 K579 L581 L582 K612 A613 I616	I574-L577 WeakPolarHBondContact O-CB 3.47Å; I574-L577 PolarHBondContact O-N 3.2Å; R575-L577 VanDerWaalsContact C-N 3.32Å; L577-K579 PolarHBondContact O-N 2.74Å; L577-L581 HydrophobicContact CD2-CB 3.93Å; L577-L581 HydrophobicContact CD2-CD1 4.29Å; L577-L582 HydrophobicContact CD2-CD2 4.49Å; L577-K612 HydrophobicContact CD2-CB 4Å; L577-K612 HydrophobicContact CD2-CD 4.48Å; L577-A613 HydrophobicContact CD1-CB 3.43Å; L577-A613 VanDerWaalsContact CD1-CB 3.43Å; L577-I616 HydrophobicContact CD2-CD1 3.58Å; L577-I616 HydrophobicContact CG-CD1 3.9Å
578	P	45.7	Very low	52.3	Low	41 Å²	41	77.8 Å²	77.8	27%	0.266	38%	0.379	S	S	.	.			trans	-57.7	131.7	169.8	-22.2	30.7	0	0	0	111.8	Y580 L581	P578-Y580 HydrophobicContact CB-CD1 3.58Å; P578-Y580 HydrophobicContact CB-CE1 3.13Å; P578-Y580 HydrophobicContact CB-CG 4.48Å; P578-Y580 HydrophobicContact CG-CE1 4Å; P578-Y580 PolarHBondContact O-N 2.96Å; P578-Y580 VanDerWaalsContact O-N 3.08Å; P578-L581 HydrophobicContact CB-CD1 4.43Å; P578-L581 HydrophobicContact CG-CD1 4.25Å; P578-L581 PolarHBondContact O-N 2.97Å
579	K	51.3	Low	53	Low	184 Å²	184	76.2 Å²	76.2	80%	0.8	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-54.5	-33	-174.5	-69.2	-174.9	178.5	-178.1	0	114.1	L577 L581 L582	L577-K579 PolarHBondContact O-N 2.74Å; K579-L581 PolarHBondContact O-N 3.11Å; K579-L582 WeakPolarHBondContact O-CB 3.4Å; K579-L582 PolarHBondContact O-N 2.83Å; K579-L582 VanDerWaalsContact O-N 3.13Å
580	Y	54.8	Low	53.4	Low	155 Å²	155	74.9 Å²	74.9	61%	0.608	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-67.1	-15.7	-179.9	67.3	-95	0	0	0	114.2	P578	P578-Y580 HydrophobicContact CB-CD1 3.58Å; P578-Y580 HydrophobicContact CB-CE1 3.13Å; P578-Y580 HydrophobicContact CB-CG 4.48Å; P578-Y580 HydrophobicContact CG-CE1 4Å; P578-Y580 PolarHBondContact O-N 2.96Å; P578-Y580 VanDerWaalsContact O-N 3.08Å
581	L	46	Very low	53.9	Low	56 Å²	56	81 Å²	81	29%	0.293	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-88.3	-9.2	176.7	-65.8	174.7	0	0	0	112.8	L577 P578 K579 K612 I616	L577-L581 HydrophobicContact CD2-CB 3.93Å; L577-L581 HydrophobicContact CD2-CD1 4.29Å; P578-L581 HydrophobicContact CB-CD1 4.43Å; P578-L581 HydrophobicContact CG-CD1 4.25Å; P578-L581 PolarHBondContact O-N 2.97Å; K579-L581 PolarHBondContact O-N 3.11Å; L581-K612 PolarHBondContact O-NZ 3.26Å; L581-I616 HydrophobicContact CD1-CD1 3.28Å; L581-I616 HydrophobicContact CD1-CG1 4.17Å
582	L	53.1	Low	54.2	Low	29 Å²	29	83 Å²	83	15%	0.152	41%	0.408	C	S	.	.	S	Bend	trans	-88.9	121.4	178.5	-58.2	169.6	0	0	0	108.2	L577 K579 D586 L590 L609	L577-L582 HydrophobicContact CD2-CD2 4.49Å; K579-L582 WeakPolarHBondContact O-CB 3.4Å; K579-L582 PolarHBondContact O-N 2.83Å; K579-L582 VanDerWaalsContact O-N 3.13Å; L582-D586 HydrophobicContact CB-CB 4.16Å; L582-D586 HydrophobicContact CD2-CB 4.06Å; L582-L590 HydrophobicContact CD1-CD1 3.53Å; L582-L590 HydrophobicContact CD2-CD1 3.22Å; L582-L590 HydrophobicContact CG-CD1 3.99Å; L582-L609 HydrophobicContact CD2-CD2 3.54Å
583	K	57.1	Low	54.5	Low	128 Å²	128	80 Å²	80	56%	0.557	39%	0.392	S	S	*	.			trans	-69	156.3	165.3	-64.7	-169.4	175.1	-161.2	0	108.1	N585 D586 A587	K583-N585 PolarHBondContact O-N 2.85Å; K583-D586 PolarHBondContact N-OD2 2.97Å; K583-D586 VanDerWaalsContact N-OD2 3.07Å; K583-D586 WeakPolarHBondContact O-CA 3.23Å; K583-D586 VanDerWaalsContact O-CB 3.23Å; K583-D586 WeakPolarHBondContact O-CB 2.96Å; K583-D586 PolarHBondContact O-N 2.93Å; K583-A587 PolarHBondContact O-N 3.04Å
584	N	57.4	Low	54.6	Low	146 Å²	146	81.3 Å²	81.3	78%	0.781	40%	0.403	S	S	*	.	H	α-helix	trans	-49.4	-42.2	-175.9	-68.5	-5.3	0	0	0	113.4	D586 A587	N584-D586 VanDerWaalsContact C-N 3.29Å; N584-D586 PolarHBondContact O-N 2.89Å; N584-A587 PolarHBondContact O-N 2.76Å
585	N	59.5	Low	54.8	Low	132 Å²	132	87.7 Å²	87.7	71%	0.706	44%	0.437	S	S	*	.	H	α-helix	trans	-67.4	-26.8	177.4	-57.2	11.8	0	0	0	113.4	K583 A587	K583-N585 PolarHBondContact O-N 2.85Å; N585-A587 VanDerWaalsContact C-N 3.33Å
586	D	60.1	Low	54.8	Low	9 Å²	9	82.3 Å²	82.3	5%	0.048	42%	0.424	C	S	.	.	H	α-helix	trans	-71.8	-29.6	177.6	-62.4	-24.5	0	0	0	110.9	L582 K583 N584 L590 L609 K612	L582-D586 HydrophobicContact CB-CB 4.16Å; L582-D586 HydrophobicContact CD2-CB 4.06Å; K583-D586 PolarHBondContact N-OD2 2.97Å; K583-D586 VanDerWaalsContact N-OD2 3.07Å; K583-D586 WeakPolarHBondContact O-CA 3.23Å; K583-D586 VanDerWaalsContact O-CB 3.23Å; K583-D586 WeakPolarHBondContact O-CB 2.96Å; K583-D586 PolarHBondContact O-N 2.93Å; N584-D586 VanDerWaalsContact C-N 3.29Å; N584-D586 PolarHBondContact O-N 2.89Å; D586-L590 WeakPolarHBondContact O-CB 2.85Å; D586-L590 PolarHBondContact O-N 2.97Å; D586-L609 HydrophobicContact CB-CD2 4.14Å; D586-K612 IonicContact OD2-NZ 3.56Å
587	A	59.7	Low	55	Low	44 Å²	44	81.2 Å²	81.2	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-72.5	-43.5	-174.9	0	0	0	0	0	113.3	K583 N584 N585 L589 L590 Q591	K583-A587 PolarHBondContact O-N 3.04Å; N584-A587 PolarHBondContact O-N 2.76Å; N585-A587 VanDerWaalsContact C-N 3.33Å; A587-L589 VanDerWaalsContact C-N 3.31Å; A587-L589 PolarHBondContact O-N 3.08Å; A587-L590 WeakPolarHBondContact O-CB 3.42Å; A587-L590 PolarHBondContact O-N 3.35Å; A587-Q591 PolarHBondContact O-N 3.05Å
588	E	60.9	Low	55	Low	155 Å²	155	83.8 Å²	83.8	72%	0.724	44%	0.441	S	S	*	.	H	α-helix	trans	-61.5	-41.8	174.1	-72.8	-176.5	169.1	0	0	111.1	L590 Q591 S592	E588-L590 VanDerWaalsContact C-N 3.34Å; E588-Q591 PolarHBondContact O-N 2.86Å; E588-S592 PolarHBondContact O-N 2.8Å
589	L	60.3	Low	55.3	Low	39 Å²	39	82 Å²	82	20%	0.204	43%	0.43	C	S	.	.	H	α-helix	trans	-67.5	-36.4	176.3	-160.1	122.5	0	0	0	111.4	A587 Q591 S592 L593 I605 L609	A587-L589 VanDerWaalsContact C-N 3.31Å; A587-L589 PolarHBondContact O-N 3.08Å; L589-Q591 VanDerWaalsContact C-N 3.3Å; L589-Q591 PolarHBondContact O-N 2.91Å; L589-S592 WeakPolarHBondContact O-CB 3.43Å; L589-S592 PolarHBondContact O-N 3.31Å; L589-L593 HydrophobicContact CD2-CD1 3.63Å; L589-L593 HydrophobicContact CD2-CG 4.04Å; L589-L593 WeakPolarHBondContact O-CB 3.49Å; L589-L593 VanDerWaalsContact O-CG 3.23Å; L589-L593 WeakPolarHBondContact O-CG 3.37Å; L589-L593 PolarHBondContact O-N 3.21Å; L589-I605 HydrophobicContact CD1-CD1 4.16Å; L589-I605 HydrophobicContact CD2-CB 4.26Å; L589-I605 HydrophobicContact CD2-CG2 3.84Å; L589-L609 HydrophobicContact CD2-CD1 4.15Å
590	L	57.2	Low	55.7	Low	17 Å²	17	78.1 Å²	78.1	9%	0.089	42%	0.417	C	S	.	.	H	α-helix	trans	-64.1	-37.6	174.4	-133.8	146	0	0	0	112	I574 L582 D586 A587 E588 L593 C594 L609	I574-L590 HydrophobicContact CG2-CD1 3.67Å; I574-L590 HydrophobicContact CG2-CD2 3.89Å; I574-L590 HydrophobicContact CG2-CG 3.58Å; L582-L590 HydrophobicContact CD1-CD1 3.53Å; L582-L590 HydrophobicContact CD2-CD1 3.22Å; L582-L590 HydrophobicContact CG-CD1 3.99Å; D586-L590 WeakPolarHBondContact O-CB 2.85Å; D586-L590 PolarHBondContact O-N 2.97Å; A587-L590 WeakPolarHBondContact O-CB 3.42Å; A587-L590 PolarHBondContact O-N 3.35Å; E588-L590 VanDerWaalsContact C-N 3.34Å; L590-L593 PolarHBondContact O-N 3.46Å; L590-C594 WeakPolarHBondContact O-CB 3.44Å; L590-C594 PolarHBondContact O-N 2.92Å; L590-C594 PolarHBondContact O-SG 2.94Å; L590-L609 HydrophobicContact CD1-CD1 4.45Å; L590-L609 HydrophobicContact CD1-CD2 4.33Å
591	Q	59.6	Low	55.6	Low	136 Å²	136	73.7 Å²	73.7	64%	0.636	40%	0.403	S	S	*	.	H	α-helix	trans	-69.1	-41.5	175	-165.3	160	12.1	0	0	111.2	A587 E588 L589 C594 N595	A587-Q591 PolarHBondContact O-N 3.05Å; E588-Q591 PolarHBondContact O-N 2.86Å; L589-Q591 VanDerWaalsContact C-N 3.3Å; L589-Q591 PolarHBondContact O-N 2.91Å; Q591-C594 PolarHBondContact O-N 2.87Å; Q591-N595 PolarHBondContact O-N 3.2Å; Q591-N595 VanDerWaalsContact O-N 3.08Å; Q591-N595 PolarHBondContact O-ND2 3.48Å; Q591-N595 PolarHBondContact O-OD1 2.82Å
592	S	57.7	Low	55.7	Low	64 Å²	64	73.4 Å²	73.4	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-58.8	-46.5	170.6	177.9	0	0	0	0	111.7	E588 L589 C594 N595 T596	E588-S592 PolarHBondContact O-N 2.8Å; L589-S592 WeakPolarHBondContact O-CB 3.43Å; L589-S592 PolarHBondContact O-N 3.31Å; S592-C594 VanDerWaalsContact C-N 3.35Å; S592-C594 PolarHBondContact O-N 2.87Å; S592-N595 PolarHBondContact O-N 2.98Å; S592-N595 VanDerWaalsContact O-N 3.15Å; S592-T596 WeakPolarHBondContact O-CG2 3.36Å; S592-T596 PolarHBondContact O-N 2.87Å; S592-T596 PolarHBondContact O-OG1 2.88Å; S592-T596 VanDerWaalsContact O-OG1 3.07Å
593	L	55.2	Low	56.3	Low	15 Å²	15	74.7 Å²	74.7	8%	0.079	42%	0.421	C	S	.	.	H	α-helix	trans	-67	-31.8	178.1	-74.4	177.3	0	0	0	113	L589 L590 N595 T596 M599 L609	L589-L593 HydrophobicContact CD2-CD1 3.63Å; L589-L593 HydrophobicContact CD2-CG 4.04Å; L589-L593 WeakPolarHBondContact O-CB 3.49Å; L589-L593 VanDerWaalsContact O-CG 3.23Å; L589-L593 WeakPolarHBondContact O-CG 3.37Å; L589-L593 PolarHBondContact O-N 3.21Å; L590-L593 PolarHBondContact O-N 3.46Å; L593-N595 VanDerWaalsContact C-N 3.27Å; L593-T596 CarbonylContact O-C 3.59Å; L593-M599 HydrophobicContact CD1-CG 4.06Å; L593-M599 HydrophobicContact CD1-SD 4.37Å; L593-M599 HydrophobicContact CD2-CB 4.42Å; L593-M599 HydrophobicContact CD2-CG 3.46Å; L593-M599 VanDerWaalsContact CD2-CG 3.46Å; L593-M599 HydrophobicContact CG-CG 4.34Å; L593-L609 HydrophobicContact CD1-CD1 4.37Å
594	C	54.4	Low	56.6	Low	56 Å²	56	77.5 Å²	77.5	38%	0.378	43%	0.434	S	S	.	.	H	α-helix	trans	-72.1	-26.3	173.7	-71.7	0	0	0	0	111.8	L590 Q591 S592	L590-C594 WeakPolarHBondContact O-CB 3.44Å; L590-C594 PolarHBondContact O-N 2.92Å; L590-C594 PolarHBondContact O-SG 2.94Å; Q591-C594 PolarHBondContact O-N 2.87Å; S592-C594 VanDerWaalsContact C-N 3.35Å; S592-C594 PolarHBondContact O-N 2.87Å
595	N	53.4	Low	56.8	Low	135 Å²	135	73.4 Å²	73.4	72%	0.722	41%	0.411	S	S	*	.	H	α-helix	trans	-84.5	-26.2	176.4	-65.1	-16.6	0	0	0	112.1	Q591 S592 L593	Q591-N595 PolarHBondContact O-N 3.2Å; Q591-N595 VanDerWaalsContact O-N 3.08Å; Q591-N595 PolarHBondContact O-ND2 3.48Å; Q591-N595 PolarHBondContact O-OD1 2.82Å; S592-N595 PolarHBondContact O-N 2.98Å; S592-N595 VanDerWaalsContact O-N 3.15Å; L593-N595 VanDerWaalsContact C-N 3.27Å
596	T	52.2	Low	56.8	Low	62 Å²	62	67.2 Å²	67.2	38%	0.38	38%	0.378	S	S	.	.	S	Bend	trans	-104	112.8	176.9	61.5	0	0	0	0	110.1	S592 L593 V598	S592-T596 WeakPolarHBondContact O-CG2 3.36Å; S592-T596 PolarHBondContact O-N 2.87Å; S592-T596 PolarHBondContact O-OG1 2.88Å; S592-T596 VanDerWaalsContact O-OG1 3.07Å; L593-T596 CarbonylContact O-C 3.59Å; T596-V598 PolarHBondContact O-N 3.48Å; T596-V598 PolarHBondContact OG1-O 2.9Å
597	S	49.4	Very low	56.8	Low	90 Å²	90	71.5 Å²	71.5	63%	0.629	40%	0.396	S	S	*	.	S	Bend	trans	-63	5.9	176.2	54.5	0	0	0	0	115
598	V	50.8	Low	56.8	Low	66 Å²	66	75.3 Å²	75.3	40%	0.4	40%	0.401	S	S	.	.			trans	-123.2	123.2	-177.7	-175	0	0	0	0	108.3	N567 T596	N567-V598 WeakPolarHBondContact ND2-CG1 3.33Å; T596-V598 PolarHBondContact O-N 3.48Å; T596-V598 PolarHBondContact OG1-O 2.9Å
599	M	52.2	Low	56.7	Low	5 Å²	5	67.9 Å²	67.9	3%	0.025	37%	0.367	C	S	.	.			trans	-97.5	127.2	171.5	-134	-152.3	-63.4	0	0	109.1	N567 N570 I571 I574 L593 I601	N567-M599 HydrophobicContact CB-CB 4.47Å; N567-M599 PolarHBondContact ND2-N 3.34Å; N567-M599 PolarHBondContact ND2-O 2.75Å; N567-M599 PolarHBondContact OD1-O 2.73Å; N567-M599 VanDerWaalsContact OD1-O 3.1Å; N570-M599 HydrophobicContact CB-CE 3.22Å; I571-M599 HydrophobicContact CD1-CB 4.43Å; I571-M599 HydrophobicContact CG1-CB 4.19Å; I571-M599 HydrophobicContact CG1-CE 3.89Å; I571-M599 HydrophobicContact CG1-CG 4.23Å; I574-M599 HydrophobicContact CD1-CE 3.37Å; I574-M599 HydrophobicContact CD1-SD 3.46Å; I574-M599 WeakPolarHBondContact CD1-SD 3.47Å; I574-M599 HydrophobicContact CG1-CE 4.38Å; L593-M599 HydrophobicContact CD1-CG 4.06Å; L593-M599 HydrophobicContact CD1-SD 4.37Å; L593-M599 HydrophobicContact CD2-CB 4.42Å; L593-M599 HydrophobicContact CD2-CG 3.46Å; L593-M599 VanDerWaalsContact CD2-CG 3.46Å; L593-M599 HydrophobicContact CG-CG 4.34Å; M599-I601 PolarHBondContact O-N 2.7Å
600	D	58.7	Low	56.5	Low	101 Å²	101	67.1 Å²	67.1	54%	0.54	36%	0.363	S	S	.	.			trans	-77.4	104.5	167.5	178.5	13.4	0	0	0	109.3	G602 N603 S606	D600-G602 PolarHBondContact O-N 2.77Å; D600-G602 WeakPolarHBondContact OD1-CA 3.48Å; D600-G602 PolarHBondContact OD1-N 2.81Å; D600-N603 HydrophobicContact CB-CB 4.41Å; D600-N603 PolarHBondContact O-N 3.07Å; D600-S606 WeakPolarHBondContact O-CB 3.37Å; D600-S606 PolarHBondContact O-OG 3.07Å
601	I	53.5	Low	56.4	Low	62 Å²	62	74.6 Å²	74.6	32%	0.318	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22	178	-57.9	171.1	0	0	0	110.7	M599 N603 K607	M599-I601 PolarHBondContact O-N 2.7Å; I601-N603 VanDerWaalsContact C-N 3.33Å; I601-N603 PolarHBondContact O-N 2.74Å; I601-K607 WeakPolarHBondContact O-CE 3.25Å; I601-K607 WeakPolarHBondContact O-CG 3.39Å
602	G	48.6	Very low	56	Low	50 Å²	50	70.1 Å²	70.1	52%	0.515	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.1	176.6	0	0	0	0	0	113.5	D600 K604	D600-G602 PolarHBondContact O-N 2.77Å; D600-G602 WeakPolarHBondContact OD1-CA 3.48Å; D600-G602 PolarHBondContact OD1-N 2.81Å; G602-K604 PolarHBondContact O-N 3.26Å
603	N	64.5	Low	55.5	Low	57 Å²	57	67.2 Å²	67.2	31%	0.305	35%	0.348	S	S	.	.	S	Bend	trans	-66.9	126.3	-175.4	-172.8	-20.3	0	0	0	111.8	D600 I601 I605 S606 K607	D600-N603 HydrophobicContact CB-CB 4.41Å; D600-N603 PolarHBondContact O-N 3.07Å; I601-N603 VanDerWaalsContact C-N 3.33Å; I601-N603 PolarHBondContact O-N 2.74Å; N603-I605 PolarHBondContact O-N 3.31Å; N603-I605 PolarHBondContact OD1-N 3.03Å; N603-S606 WeakPolarHBondContact O-CB 3.34Å; N603-S606 PolarHBondContact O-N 2.69Å; N603-S606 VanDerWaalsContact O-N 3.16Å; N603-K607 PolarHBondContact O-N 3.01Å
604	K	63.8	Low	55	Low	187 Å²	187	69.8 Å²	69.8	81%	0.813	36%	0.362	S	S	*	.	H	α-helix	trans	-55.3	-34.7	179.9	-75.2	-177.8	179.6	176	0	112.6	G602 R608	G602-K604 PolarHBondContact O-N 3.26Å; K604-R608 WeakPolarHBondContact O-CB 3.28Å; K604-R608 PolarHBondContact O-N 2.82Å
605	I	61.7	Low	54.5	Low	59 Å²	59	74.6 Å²	74.6	30%	0.303	38%	0.379	S	S	.	.	H	α-helix	trans	-73.2	-45.3	-179.9	-55.1	173.5	0	0	0	110	L589 N603 K607 R608 L609	L589-I605 HydrophobicContact CD1-CD1 4.16Å; L589-I605 HydrophobicContact CD2-CB 4.26Å; L589-I605 HydrophobicContact CD2-CG2 3.84Å; N603-I605 PolarHBondContact O-N 3.31Å; N603-I605 PolarHBondContact OD1-N 3.03Å; I605-K607 PolarHBondContact O-N 3.04Å; I605-R608 CarbonylContact O-C 3.52Å; I605-R608 WeakPolarHBondContact O-CA 3.41Å; I605-R608 WeakPolarHBondContact O-CB 3.36Å; I605-R608 PolarHBondContact O-N 3.15Å; I605-L609 HydrophobicContact CG2-CD1 4.19Å; I605-L609 HydrophobicContact CG2-CG 4.4Å; I605-L609 PolarHBondContact O-N 3.43Å
606	S	59.2	Low	53.9	Low	3 Å²	3	70.8 Å²	70.8	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-56.8	-46.3	173.1	-55.7	0	0	0	0	111.7	D600 N603 R608 L609 L610	D600-S606 WeakPolarHBondContact O-CB 3.37Å; D600-S606 PolarHBondContact O-OG 3.07Å; N603-S606 WeakPolarHBondContact O-CB 3.34Å; N603-S606 PolarHBondContact O-N 2.69Å; N603-S606 VanDerWaalsContact O-N 3.16Å; S606-R608 VanDerWaalsContact C-N 3.3Å; S606-R608 PolarHBondContact O-N 3.14Å; S606-L609 PolarHBondContact O-N 3.1Å; S606-L610 WeakPolarHBondContact O-CB 3.47Å; S606-L610 PolarHBondContact O-N 3.19Å
607	K	59.1	Low	53.4	Low	98 Å²	98	68.8 Å²	68.8	43%	0.426	35%	0.346	S	S	.	.	H	α-helix	trans	-59.7	-39.2	174.3	-69.9	-171.9	-175.9	-176.8	0	112.1	I601 N603 I605 R611	I601-K607 WeakPolarHBondContact O-CE 3.25Å; I601-K607 WeakPolarHBondContact O-CG 3.39Å; N603-K607 PolarHBondContact O-N 3.01Å; I605-K607 PolarHBondContact O-N 3.04Å; K607-R611 WeakPolarHBondContact O-CB 3.43Å; K607-R611 WeakPolarHBondContact O-CG 3.46Å; K607-R611 PolarHBondContact O-N 3.08Å
608	R	59.8	Low	53.3	Low	124 Å²	124	65.6 Å²	65.6	47%	0.468	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-46.3	178.2	-173.2	-174.2	-173.5	163.3	7	111.9	K604 I605 S606 L610 R611 K612	K604-R608 WeakPolarHBondContact O-CB 3.28Å; K604-R608 PolarHBondContact O-N 2.82Å; I605-R608 CarbonylContact O-C 3.52Å; I605-R608 WeakPolarHBondContact O-CA 3.41Å; I605-R608 WeakPolarHBondContact O-CB 3.36Å; I605-R608 PolarHBondContact O-N 3.15Å; S606-R608 VanDerWaalsContact C-N 3.3Å; S606-R608 PolarHBondContact O-N 3.14Å; R608-L610 VanDerWaalsContact C-N 3.33Å; R608-R611 PolarHBondContact O-N 2.92Å; R608-K612 PolarHBondContact O-N 2.99Å
609	L	60.4	Low	53.4	Low	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-43.8	176	-77.2	175.1	0	0	0	110.6	I574 L582 D586 L589 L590 L593 I605 S606 K612 A613	I574-L609 HydrophobicContact CD1-CB 3.81Å; I574-L609 HydrophobicContact CG1-CB 4.12Å; I574-L609 HydrophobicContact CG2-CB 4.31Å; I574-L609 HydrophobicContact CG2-CD1 4.27Å; L582-L609 HydrophobicContact CD2-CD2 3.54Å; D586-L609 HydrophobicContact CB-CD2 4.14Å; L589-L609 HydrophobicContact CD2-CD1 4.15Å; L590-L609 HydrophobicContact CD1-CD1 4.45Å; L590-L609 HydrophobicContact CD1-CD2 4.33Å; L593-L609 HydrophobicContact CD1-CD1 4.37Å; I605-L609 HydrophobicContact CG2-CD1 4.19Å; I605-L609 HydrophobicContact CG2-CG 4.4Å; I605-L609 PolarHBondContact O-N 3.43Å; S606-L609 PolarHBondContact O-N 3.1Å; L609-K612 PolarHBondContact O-N 3.18Å; L609-A613 VanDerWaalsContact O-CB 3.23Å; L609-A613 WeakPolarHBondContact O-CB 3.17Å; L609-A613 PolarHBondContact O-N 3.32Å
610	L	55	Low	53.6	Low	23 Å²	23	67.8 Å²	67.8	12%	0.12	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-38.4	175.9	-171.2	61.5	0	0	0	112.2	N570 I574 S606 R608 A613 N614	N570-L610 HydrophobicContact CB-CD1 3.67Å; N570-L610 HydrophobicContact CB-CD2 4.46Å; I574-L610 HydrophobicContact CD1-CB 4.41Å; S606-L610 WeakPolarHBondContact O-CB 3.47Å; S606-L610 PolarHBondContact O-N 3.19Å; R608-L610 VanDerWaalsContact C-N 3.33Å; L610-A613 PolarHBondContact O-N 2.99Å; L610-N614 VanDerWaalsContact O-CB 3.28Å; L610-N614 WeakPolarHBondContact O-CB 3.28Å; L610-N614 PolarHBondContact O-N 3.39Å; L610-N614 PolarHBondContact O-ND2 3.47Å; L610-N614 PolarHBondContact O-OD1 2.95Å
611	R	55.2	Low	53.7	Low	173 Å²	173	63.4 Å²	63.4	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-63.2	-45.9	172.6	-78.5	174.1	-173.9	178.6	0.9	111.7	K607 R608 A613 N614 Q615	K607-R611 WeakPolarHBondContact O-CB 3.43Å; K607-R611 WeakPolarHBondContact O-CG 3.46Å; K607-R611 PolarHBondContact O-N 3.08Å; R608-R611 PolarHBondContact O-N 2.92Å; R611-A613 VanDerWaalsContact C-N 3.33Å; R611-N614 PolarHBondContact O-N 2.88Å; R611-Q615 WeakPolarHBondContact O-CB 3.45Å; R611-Q615 VanDerWaalsContact O-CG 3.28Å; R611-Q615 WeakPolarHBondContact O-CG 3.43Å; R611-Q615 PolarHBondContact O-N 2.69Å
612	K	52.1	Low	54	Low	42 Å²	42	61.5 Å²	61.5	18%	0.183	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-45.3	173.7	-73.5	-179.4	174.4	176.9	0	110.6	L577 L581 D586 R608 L609 N614 Q615 I616	L577-K612 HydrophobicContact CD2-CB 4Å; L577-K612 HydrophobicContact CD2-CD 4.48Å; L581-K612 PolarHBondContact O-NZ 3.26Å; D586-K612 IonicContact OD2-NZ 3.56Å; R608-K612 PolarHBondContact O-N 2.99Å; L609-K612 PolarHBondContact O-N 3.18Å; K612-N614 VanDerWaalsContact C-N 3.35Å; K612-N614 PolarHBondContact O-N 2.69Å; K612-Q615 PolarHBondContact O-N 3.26Å; K612-I616 HydrophobicContact CB-CD1 4.47Å; K612-I616 WeakPolarHBondContact O-CD1 3.34Å; K612-I616 WeakPolarHBondContact O-CG1 3.36Å; K612-I616 PolarHBondContact O-N 2.83Å
613	A	47.2	Very low	54.8	Low	3 Å²	3	59.4 Å²	59.4	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-43.8	178.6	0	0	0	0	0	111	L573 I574 L577 L609 L610 R611 I616 S617	L573-A613 HydrophobicContact CB-CB 3.97Å; I574-A613 HydrophobicContact CG1-CB 4.03Å; L577-A613 HydrophobicContact CD1-CB 3.43Å; L577-A613 VanDerWaalsContact CD1-CB 3.43Å; L609-A613 VanDerWaalsContact O-CB 3.23Å; L609-A613 WeakPolarHBondContact O-CB 3.17Å; L609-A613 PolarHBondContact O-N 3.32Å; L610-A613 PolarHBondContact O-N 2.99Å; R611-A613 VanDerWaalsContact C-N 3.33Å; A613-I616 CarbonylContact O-C 3.55Å; A613-I616 PolarHBondContact O-N 3.07Å; A613-S617 VanDerWaalsContact O-CA 3.23Å; A613-S617 WeakPolarHBondContact O-CA 3.19Å; A613-S617 WeakPolarHBondContact O-CB 3.16Å; A613-S617 PolarHBondContact O-N 2.92Å
614	N	43.7	Very low	54.4	Low	70 Å²	70	60.5 Å²	60.5	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-68.6	-36.6	177.1	-70.2	-16.2	0	0	0	112.2	L610 R611 K612 I616 S617	L610-N614 VanDerWaalsContact O-CB 3.28Å; L610-N614 WeakPolarHBondContact O-CB 3.28Å; L610-N614 PolarHBondContact O-N 3.39Å; L610-N614 PolarHBondContact O-ND2 3.47Å; L610-N614 PolarHBondContact O-OD1 2.95Å; R611-N614 PolarHBondContact O-N 2.88Å; K612-N614 VanDerWaalsContact C-N 3.35Å; K612-N614 PolarHBondContact O-N 2.69Å; N614-I616 PolarHBondContact O-N 2.86Å; N614-S617 WeakPolarHBondContact O-CB 3.29Å; N614-S617 PolarHBondContact O-N 3.49Å
615	Q	44.4	Very low	54.3	Low	157 Å²	157	52.3 Å²	52.3	73%	0.734	25%	0.249	S	C	*	.	H	α-helix	trans	-66.2	-27.1	172.9	-75.1	175.1	-8.2	0	0	112.4	R611 K612	R611-Q615 WeakPolarHBondContact O-CB 3.45Å; R611-Q615 VanDerWaalsContact O-CG 3.28Å; R611-Q615 WeakPolarHBondContact O-CG 3.43Å; R611-Q615 PolarHBondContact O-N 2.69Å; K612-Q615 PolarHBondContact O-N 3.26Å
616	I	41.3	Very low	54.2	Low	54 Å²	54	51.5 Å²	51.5	28%	0.277	25%	0.247	S	C	.	.	H	α-helix	trans	-98.4	-10.6	176.4	-54.8	152.8	0	0	0	111.4	L577 L581 K612 A613 N614 S618 V619	L577-I616 HydrophobicContact CD2-CD1 3.58Å; L577-I616 HydrophobicContact CG-CD1 3.9Å; L581-I616 HydrophobicContact CD1-CD1 3.28Å; L581-I616 HydrophobicContact CD1-CG1 4.17Å; K612-I616 HydrophobicContact CB-CD1 4.47Å; K612-I616 WeakPolarHBondContact O-CD1 3.34Å; K612-I616 WeakPolarHBondContact O-CG1 3.36Å; K612-I616 PolarHBondContact O-N 2.83Å; A613-I616 CarbonylContact O-C 3.55Å; A613-I616 PolarHBondContact O-N 3.07Å; N614-I616 PolarHBondContact O-N 2.86Å; I616-S618 CarbonylContact O-C 3.12Å; I616-S618 PolarHBondContact O-N 2.89Å; I616-V619 PolarHBondContact O-N 3.19Å
617	S	41	Very low	54.2	Low	21 Å²	21	52.6 Å²	52.6	15%	0.147	25%	0.254	C	S	.	.			trans	-63.8	-11.1	-172.6	172.5	0	0	0	0	112.3	L573 A613 N614 V619	L573-S617 WeakPolarHBondContact CD2-OG 3.31Å; A613-S617 VanDerWaalsContact O-CA 3.23Å; A613-S617 WeakPolarHBondContact O-CA 3.19Å; A613-S617 WeakPolarHBondContact O-CB 3.16Å; A613-S617 PolarHBondContact O-N 2.92Å; N614-S617 WeakPolarHBondContact O-CB 3.29Å; N614-S617 PolarHBondContact O-N 3.49Å; S617-V619 PolarHBondContact O-N 2.94Å
618	S	47.2	Very low	54.1	Low	23 Å²	23	53.7 Å²	53.7	16%	0.161	26%	0.261	C	S	.	.	S	Bend	trans	-64.1	78.9	150.2	60.7	0	0	0	0	108.2	L467 I616 Q620	L467-S618 WeakPolarHBondContact O-CB 3.45Å; I616-S618 CarbonylContact O-C 3.12Å; I616-S618 PolarHBondContact O-N 2.89Å; S618-Q620 VanDerWaalsContact O-CG 3.22Å; S618-Q620 WeakPolarHBondContact O-CG 3.22Å; S618-Q620 PolarHBondContact O-N 2.86Å
619	V	52.4	Low	54	Low	56 Å²	56	52.3 Å²	52.3	34%	0.339	26%	0.26	S	S	.	.			trans	-50	111.9	177	177.4	0	0	0	0	108.3	I537 Q539 I540 I616 S617	I537-V619 HydrophobicContact CD1-CG1 4.09Å; Q539-V619 WeakPolarHBondContact O-CG1 3.26Å; I540-V619 HydrophobicContact CG2-CB 4.44Å; I616-V619 PolarHBondContact O-N 3.19Å; S617-V619 PolarHBondContact O-N 2.94Å
620	Q	57.3	Low	53.8	Low	61 Å²	61	53.6 Å²	53.6	29%	0.285	27%	0.267	S	S	.	.			trans	-93.5	131.4	-176	-59.7	-175	-16.9	0	0	110.6	R464 V465 S618 A622	R464-Q620 HydrophobicContact CB-CB 4.22Å; R464-Q620 VanDerWaalsContact CD-OE1 3.32Å; V465-Q620 CarbonylContact O-C 3.56Å; V465-Q620 VanDerWaalsContact O-CA 3.27Å; V465-Q620 WeakPolarHBondContact O-CA 3.48Å; S618-Q620 VanDerWaalsContact O-CG 3.22Å; S618-Q620 WeakPolarHBondContact O-CG 3.22Å; S618-Q620 PolarHBondContact O-N 2.86Å; Q620-A622 PolarHBondContact O-N 3.14Å
621	V	60.9	Low	53.8	Low	8 Å²	8	56.9 Å²	56.9	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	101.9	173.6	-175.5	0	0	0	0	108	R464 V465 C513 L515 I537 I540	R464-V621 CarbonylContact C-O 3.54Å; R464-V621 WeakPolarHBondContact CA-O 3.29Å; V465-V621 HydrophobicContact CB-CB 4.35Å; V465-V621 PolarHBondContact N-O 3.19Å; V465-V621 PolarHBondContact O-N 3.07Å; C513-V621 VanDerWaalsContact SG-CG2 3.51Å; L515-V621 HydrophobicContact CD1-CB 4.24Å; L515-V621 HydrophobicContact CD1-CG1 3.65Å; L515-V621 VanDerWaalsContact CD1-O 3.25Å; L515-V621 WeakPolarHBondContact CD1-O 3.37Å; L515-V621 HydrophobicContact CG-CG1 4.11Å; I537-V621 HydrophobicContact CB-CG2 3.83Å; I537-V621 HydrophobicContact CD1-CB 3.83Å; I537-V621 HydrophobicContact CD1-CG1 4.25Å; I537-V621 HydrophobicContact CD1-CG2 3.52Å; I537-V621 HydrophobicContact CG1-CB 4.08Å; I537-V621 HydrophobicContact CG1-CG1 3.97Å; I537-V621 HydrophobicContact CG1-CG2 3.75Å; I537-V621 HydrophobicContact CG2-CG2 4.23Å; I540-V621 HydrophobicContact CD1-CG2 3.56Å
622	A	60.1	Low	53.7	Low	23 Å²	23	55.2 Å²	55.2	19%	0.19	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.1	-177.4	0	0	0	0	0	111.2	R461 A463 R464 Q620	R461-A622 HydrophobicContact CB-CB 3.91Å; R461-A622 HydrophobicContact CG-CB 4.26Å; R461-A622 PolarHBondContact NH1-O 3.26Å; A463-A622 CarbonylContact O-C 3.45Å; A463-A622 VanDerWaalsContact O-CA 3.31Å; A463-A622 WeakPolarHBondContact O-CA 3.33Å; R464-A622 HydrophobicContact CB-CB 4.39Å; R464-A622 HydrophobicContact CG-CB 3.7Å; Q620-A622 PolarHBondContact O-N 3.14Å
623	M	63.6	Low	53.5	Low	5 Å²	5	55.3 Å²	55.3	3%	0.025	29%	0.293	C	S	.	.			trans	-62.8	141.4	172.7	-169.4	-179.9	63.9	0	0	110.5	R461 L462 A463 L515 I517 I625	R461-M623 WeakPolarHBondContact CB-O 3.45Å; R461-M623 VanDerWaalsContact CD-O 3.27Å; R461-M623 WeakPolarHBondContact CD-O 3.32Å; R461-M623 WeakPolarHBondContact CG-O 3.49Å; L462-M623 HydrophobicContact CB-CE 3.53Å; L462-M623 HydrophobicContact CD2-CE 3.28Å; L462-M623 HydrophobicContact CG-CE 3.89Å; A463-M623 HydrophobicContact CB-CB 4.42Å; A463-M623 HydrophobicContact CB-CE 4.45Å; A463-M623 PolarHBondContact O-N 2.92Å; L515-M623 HydrophobicContact CD1-CB 4.31Å; I517-M623 HydrophobicContact CD1-CE 3.33Å; I517-M623 HydrophobicContact CD1-SD 3.46Å; I517-M623 WeakPolarHBondContact CD1-SD 3.46Å; I517-M623 HydrophobicContact CG1-CE 4.21Å; I517-M623 HydrophobicContact CG1-SD 3.69Å; M623-I625 VanDerWaalsContact C-N 3.3Å; M623-I625 HydrophobicContact CE-CB 3.69Å; M623-I625 HydrophobicContact CE-CD1 4.03Å; M623-I625 HydrophobicContact CE-CG1 4.24Å; M623-I625 HydrophobicContact CE-CG2 4.47Å; M623-I625 HydrophobicContact CG-CB 4.5Å; M623-I625 HydrophobicContact CG-CD1 4.4Å; M623-I625 HydrophobicContact CG-CG1 4.37Å; M623-I625 PolarHBondContact O-N 3.22Å; M623-I625 HydrophobicContact SD-CB 4.48Å; M623-I625 HydrophobicContact SD-CD1 3.9Å; M623-I625 HydrophobicContact SD-CG1 4.4Å
624	E	57.3	Low	53.7	Low	80 Å²	80	63.5 Å²	63.5	37%	0.374	34%	0.337	S	S	.	.	S	Bend	trans	-76.3	-15.7	-174	-165.9	148.2	-134.6	0	0	114.7	R461 V533 G534	R461-E624 IonicContact NH2-OE1 3.01Å; R461-E624 PolarHBondContact NH2-OE1 2.79Å; R461-E624 VanDerWaalsContact NH2-OE1 3.13Å; V533-E624 HydrophobicContact CB-CB 4.33Å; V533-E624 VanDerWaalsContact CG1-OE2 3.3Å; V533-E624 WeakPolarHBondContact CG1-OE2 3.4Å; V533-E624 WeakPolarHBondContact O-CB 3.43Å; V533-E624 PolarHBondContact O-N 2.96Å; G534-E624 WeakPolarHBondContact CA-OE2 3.24Å; G534-E624 PolarHBondContact N-OE2 2.87Å
625	I	60.7	Low	54.1	Low	16 Å²	16	63.6 Å²	63.6	8%	0.082	34%	0.336	C	S	.	.			trans	-72	135.8	179.6	-53.7	167.4	0	0	0	110.1	L462 I530 M623 E629 L630	L462-I625 VanDerWaalsContact CB-O 3.28Å; L462-I625 WeakPolarHBondContact CB-O 3.34Å; L462-I625 PolarHBondContact N-O 2.73Å; I530-I625 HydrophobicContact CB-CD1 4.32Å; I530-I625 HydrophobicContact CG2-CD1 3.46Å; I530-I625 VanDerWaalsContact CG2-CD1 3.46Å; M623-I625 VanDerWaalsContact C-N 3.3Å; M623-I625 HydrophobicContact CE-CB 3.69Å; M623-I625 HydrophobicContact CE-CD1 4.03Å; M623-I625 HydrophobicContact CE-CG1 4.24Å; M623-I625 HydrophobicContact CE-CG2 4.47Å; M623-I625 HydrophobicContact CG-CB 4.5Å; M623-I625 HydrophobicContact CG-CD1 4.4Å; M623-I625 HydrophobicContact CG-CG1 4.37Å; M623-I625 PolarHBondContact O-N 3.22Å; M623-I625 HydrophobicContact SD-CB 4.48Å; M623-I625 HydrophobicContact SD-CD1 3.9Å; M623-I625 HydrophobicContact SD-CG1 4.4Å; I625-E629 WeakPolarHBondContact CA-OE2 3.3Å; I625-E629 HydrophobicContact CG2-CB 4.05Å; I625-E629 WeakPolarHBondContact CG2-OE2 3.41Å; I625-L630 HydrophobicContact CG2-CD1 4.42Å; I625-L630 HydrophobicContact CG2-CD2 4.04Å; I625-L630 HydrophobicContact CG2-CG 3.89Å
626	T	61.2	Low	54.6	Low	42 Å²	42	57.7 Å²	57.7	26%	0.258	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-92	158.1	175.2	65.2	0	0	0	0	111.7	Q628 E629 L630	T626-Q628 PolarHBondContact O-N 3.31Å; T626-E629 PolarHBondContact N-OE2 2.92Å; T626-E629 VanDerWaalsContact N-OE2 3.15Å; T626-E629 PolarHBondContact O-N 3.04Å; T626-E629 WeakPolarHBondContact OG1-CG 3.37Å; T626-E629 PolarHBondContact OG1-N 2.93Å; T626-L630 PolarHBondContact O-N 3.05Å
627	C	59.2	Low	55.6	Low	25 Å²	25	55.7 Å²	55.7	17%	0.169	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-33.9	173.9	-72.9	0	0	0	0	112.8	N457 R458 L462 L630 T631	N457-C627 PolarHBondContact O-SG 3.31Å; N457-C627 VanDerWaalsContact O-SG 3.38Å; R458-C627 VanDerWaalsContact CA-SG 3.59Å; L462-C627 HydrophobicContact CD1-CB 4.49Å; L462-C627 WeakPolarHBondContact CD1-SG 3.44Å; C627-L630 WeakPolarHBondContact O-CB 3.4Å; C627-L630 PolarHBondContact O-N 2.72Å; C627-T631 PolarHBondContact O-N 3.13Å; C627-T631 PolarHBondContact O-OG1 3.03Å
628	Q	55.3	Low	56.7	Low	121 Å²	121	58.5 Å²	58.5	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-64.7	-43.9	-178.8	-175.1	172.1	-0.5	0	0	111.7	T626 L630 T631 E632	T626-Q628 PolarHBondContact O-N 3.31Å; Q628-L630 PolarHBondContact O-N 2.8Å; Q628-T631 WeakPolarHBondContact CA-OG1 3.3Å; Q628-T631 PolarHBondContact O-N 2.97Å; Q628-T631 VanDerWaalsContact O-N 3.15Å; Q628-T631 PolarHBondContact O-OG1 3.35Å; Q628-E632 HydrophobicContact CG-CG 4.23Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.37Å; Q628-E632 PolarHBondContact NE2-OE1 2.92Å; Q628-E632 WeakPolarHBondContact O-CB 3.47Å; Q628-E632 WeakPolarHBondContact O-CG 3.43Å; Q628-E632 PolarHBondContact O-N 3.41Å
629	E	58.6	Low	57.5	Low	96 Å²	96	58.9 Å²	58.9	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-35	175.9	-73.6	166.6	-176.1	0	0	112	I625 T626 S633	I625-E629 WeakPolarHBondContact CA-OE2 3.3Å; I625-E629 HydrophobicContact CG2-CB 4.05Å; I625-E629 WeakPolarHBondContact CG2-OE2 3.41Å; T626-E629 PolarHBondContact N-OE2 2.92Å; T626-E629 VanDerWaalsContact N-OE2 3.15Å; T626-E629 PolarHBondContact O-N 3.04Å; T626-E629 WeakPolarHBondContact OG1-CG 3.37Å; T626-E629 PolarHBondContact OG1-N 2.93Å; E629-S633 WeakPolarHBondContact O-CB 3.31Å; E629-S633 PolarHBondContact O-N 3.16Å; E629-S633 PolarHBondContact O-OG 3.39Å
630	L	57.2	Low	58	Low	27 Å²	27	60.8 Å²	60.8	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-73.7	-32.1	177.9	-63.7	160.1	0	0	0	113.4	L462 I517 I625 T626 C627 Q628 I637 I645	L462-L630 HydrophobicContact CB-CD1 4.13Å; L462-L630 HydrophobicContact CD1-CD1 3.4Å; L462-L630 HydrophobicContact CD2-CD1 3.2Å; L462-L630 HydrophobicContact CD2-CG 4.45Å; L462-L630 HydrophobicContact CG-CD1 3.67Å; I517-L630 HydrophobicContact CD1-CD2 4.42Å; I625-L630 HydrophobicContact CG2-CD1 4.42Å; I625-L630 HydrophobicContact CG2-CD2 4.04Å; I625-L630 HydrophobicContact CG2-CG 3.89Å; T626-L630 PolarHBondContact O-N 3.05Å; C627-L630 WeakPolarHBondContact O-CB 3.4Å; C627-L630 PolarHBondContact O-N 2.72Å; Q628-L630 PolarHBondContact O-N 2.8Å; L630-I637 HydrophobicContact CD2-CD1 3.37Å; L630-I645 HydrophobicContact CD1-CD1 4.44Å
631	T	54.4	Low	58.2	Low	92 Å²	92	66.5 Å²	66.5	56%	0.564	36%	0.357	S	S	*	.	H	α-helix	trans	-82.1	-34.5	179.8	45.7	0	0	0	0	112.6	L433 C627 Q628 S633	L433-T631 HydrophobicContact CD2-CG2 4.42Å; C627-T631 PolarHBondContact O-N 3.13Å; C627-T631 PolarHBondContact O-OG1 3.03Å; Q628-T631 WeakPolarHBondContact CA-OG1 3.3Å; Q628-T631 PolarHBondContact O-N 2.97Å; Q628-T631 VanDerWaalsContact O-N 3.15Å; Q628-T631 PolarHBondContact O-OG1 3.35Å; T631-S633 VanDerWaalsContact C-N 3.34Å
632	E	52.1	Low	58.4	Low	137 Å²	137	69.1 Å²	69.1	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-74.3	-28.4	-179	-73.2	176.9	179.3	0	0	112.3	Q628	Q628-E632 HydrophobicContact CG-CG 4.23Å; Q628-E632 WeakPolarHBondContact CG-OE1 3.37Å; Q628-E632 PolarHBondContact NE2-OE1 2.92Å; Q628-E632 WeakPolarHBondContact O-CB 3.47Å; Q628-E632 WeakPolarHBondContact O-CG 3.43Å; Q628-E632 PolarHBondContact O-N 3.41Å
633	S	49	Very low	58.7	Low	44 Å²	44	68.3 Å²	68.3	31%	0.308	37%	0.368	S	S	.	.	S	Bend	trans	-105.3	117.4	-176	65.3	0	0	0	0	109.6	E629 T631 M635	E629-S633 WeakPolarHBondContact O-CB 3.31Å; E629-S633 PolarHBondContact O-N 3.16Å; E629-S633 PolarHBondContact O-OG 3.39Å; T631-S633 VanDerWaalsContact C-N 3.34Å; S633-M635 PolarHBondContact O-N 3.01Å; S633-M635 WeakPolarHBondContact OG-CG 2.95Å
634	N	50.9	Low	59.1	Low	176 Å²	176	69 Å²	69	94%	0.941	37%	0.372	S	S	*	.			trans	-63.9	48.4	168.7	-88.9	-22.3	0	0	0	111.5	G636	N634-G636 PolarHBondContact O-N 2.86Å
635	M	52	Low	59.8	Low	72 Å²	72	65.6 Å²	65.6	36%	0.355	36%	0.356	S	S	.	.			trans	-69.1	2.5	-172.6	-69.1	-73.3	-80.2	0	0	113.3	I530 S633 I637	I530-M635 HydrophobicContact CD1-CE 3.53Å; I530-M635 HydrophobicContact CG1-CE 4.01Å; S633-M635 PolarHBondContact O-N 3.01Å; S633-M635 WeakPolarHBondContact OG-CG 2.95Å; M635-I637 HydrophobicContact CB-CD1 3.51Å; M635-I637 HydrophobicContact CB-CG1 3.6Å; M635-I637 HydrophobicContact CG-CD1 4.26Å; M635-I637 PolarHBondContact O-N 3.02Å
636	G	55.7	Low	60.6	Low	33 Å²	33	66.2 Å²	66.2	34%	0.34	36%	0.361	S	S	.	.	S	Bend	trans	58.3	34.6	-176.3	0	0	0	0	0	111.5	G519 Y520 N634	G519-G636 CarbonylContact C-O 3.6Å; Y520-G636 CarbonylContact C-O 3.46Å; Y520-G636 WeakPolarHBondContact CA-O 3.37Å; Y520-G636 WeakPolarHBondContact CB-O 3.39Å; Y520-G636 PolarHBondContact N-O 2.78Å; N634-G636 PolarHBondContact O-N 2.86Å
637	I	62.4	Low	61.3	Low	11 Å²	11	64.3 Å²	64.3	6%	0.056	35%	0.349	C	S	.	.			trans	-86.5	-41.7	-178.3	-62	163.5	0	0	0	110.7	I517 I530 L630 M635 N639 I645	I517-I637 HydrophobicContact CG2-CB 4.49Å; I517-I637 HydrophobicContact CG2-CG1 4.5Å; I517-I637 HydrophobicContact CG2-CG2 3.27Å; I530-I637 HydrophobicContact CD1-CD1 3.32Å; I530-I637 HydrophobicContact CD1-CG1 3.95Å; L630-I637 HydrophobicContact CD2-CD1 3.37Å; M635-I637 HydrophobicContact CB-CD1 3.51Å; M635-I637 HydrophobicContact CB-CG1 3.6Å; M635-I637 HydrophobicContact CG-CD1 4.26Å; M635-I637 PolarHBondContact O-N 3.02Å; I637-N639 PolarHBondContact O-N 2.77Å; I637-I645 HydrophobicContact CG2-CD1 3.85Å; I637-I645 HydrophobicContact CG2-CG1 3.99Å; I637-I645 HydrophobicContact CG2-CG2 3.91Å
638	L	63.1	Low	62.4	Low	80 Å²	80	63.8 Å²	63.8	42%	0.419	34%	0.344	S	S	.	.	S	Bend	trans	-70	125.6	-179.6	-167.1	73.2	0	0	0	108.9	I430 P640 G643 I645	I430-L638 HydrophobicContact CB-CD1 4.12Å; I430-L638 HydrophobicContact CD1-CD1 4.12Å; I430-L638 HydrophobicContact CG1-CD1 4.42Å; L638-P640 WeakPolarHBondContact O-CD 3.35Å; L638-P640 VanDerWaalsContact O-N 3.14Å; L638-G643 WeakPolarHBondContact CD1-O 3.36Å; L638-I645 HydrophobicContact CD1-CG1 3.95Å
639	N	65.2	Low	63.8	Low	31 Å²	31	58 Å²	58	17%	0.166	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-66.1	111.8	168.6	-180	-17.6	0	0	0	108.1	Y520 I637 K641 T642 G643 T644	Y520-N639 HydrophobicContact CD2-CB 3.63Å; Y520-N639 HydrophobicContact CE2-CB 4Å; Y520-N639 VanDerWaalsContact CE2-OD1 3.26Å; Y520-N639 WeakPolarHBondContact CE2-OD1 3.39Å; Y520-N639 HydrophobicContact CG-CB 4.16Å; I637-N639 PolarHBondContact O-N 2.77Å; N639-K641 PolarHBondContact O-N 2.88Å; N639-K641 VanDerWaalsContact O-N 3.16Å; N639-K641 WeakPolarHBondContact OD1-CB 3.46Å; N639-K641 PolarHBondContact OD1-N 3.06Å; N639-T642 WeakPolarHBondContact CB-OG1 3.25Å; N639-T642 PolarHBondContact ND2-OG1 3.17Å; N639-T642 VanDerWaalsContact ND2-OG1 3.1Å; N639-T642 PolarHBondContact O-N 2.96Å; N639-G643 WeakPolarHBondContact O-CA 3.47Å; N639-G643 PolarHBondContact O-N 3.42Å; N639-T644 WeakPolarHBondContact CB-O 3.14Å; N639-T644 PolarHBondContact N-O 2.8Å
640	P	61.4	Low	64.9	Low	97 Å²	97	54.1 Å²	54.1	63%	0.63	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.1	-175.5	28.9	-34.6	0	0	0	112.7	Y520 L638	Y520-P640 HydrophobicContact CD1-CG 4.04Å; Y520-P640 HydrophobicContact CE1-CG 3.53Å; L638-P640 WeakPolarHBondContact O-CD 3.35Å; L638-P640 VanDerWaalsContact O-N 3.14Å
641	K	62.4	Low	66.2	Low	180 Å²	180	53.5 Å²	53.5	78%	0.783	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-39.5	-178.8	-63.3	-175.5	176.8	-177.9	0	112.7	N639	N639-K641 PolarHBondContact O-N 2.88Å; N639-K641 VanDerWaalsContact O-N 3.16Å; N639-K641 WeakPolarHBondContact OD1-CB 3.46Å; N639-K641 PolarHBondContact OD1-N 3.06Å
642	T	65.4	Low	67.4	Low	64 Å²	64	51.3 Å²	51.3	39%	0.393	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-14.4	-176.9	55.7	0	0	0	0	112.4	N431 N639 T644	N431-T642 PolarHBondContact ND2-O 3.35Å; N639-T642 WeakPolarHBondContact CB-OG1 3.25Å; N639-T642 PolarHBondContact ND2-OG1 3.17Å; N639-T642 VanDerWaalsContact ND2-OG1 3.1Å; N639-T642 PolarHBondContact O-N 2.96Å; T642-T644 PolarHBondContact O-N 2.76Å; T642-T644 PolarHBondContact OG1-N 3.26Å; T642-T644 PolarHBondContact OG1-OG1 2.93Å
643	G	65	Low	68.6	Low	6 Å²	6	45.7 Å²	45.7	6%	0.062	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.9	-168.5	0	0	0	0	0	113.5	I430 N431 L638 N639	I430-G643 PolarHBondContact N-O 2.88Å; N431-G643 WeakPolarHBondContact OD1-CA 3.39Å; N431-G643 PolarHBondContact OD1-O 2.86Å; N431-G643 VanDerWaalsContact OD1-O 3.04Å; L638-G643 WeakPolarHBondContact CD1-O 3.36Å; N639-G643 WeakPolarHBondContact O-CA 3.47Å; N639-G643 PolarHBondContact O-N 3.42Å
644	T	71.7	Confident	69.9	Low	19 Å²	19	47.4 Å²	47.4	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	150	176.9	61	0	0	0	0	110.8	F428 P429 N639 T642	F428-T644 CarbonylContact O-C 3.53Å; F428-T644 WeakPolarHBondContact O-CA 3.48Å; F428-T644 VanDerWaalsContact O-CB 3.3Å; F428-T644 WeakPolarHBondContact O-CB 3.17Å; P429-T644 HydrophobicContact CB-CG2 3.96Å; N639-T644 WeakPolarHBondContact CB-O 3.14Å; N639-T644 PolarHBondContact N-O 2.8Å; T642-T644 PolarHBondContact O-N 2.76Å; T642-T644 PolarHBondContact OG1-N 3.26Å; T642-T644 PolarHBondContact OG1-OG1 2.93Å
645	I	72.3	Confident	71.2	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.5	164.2	-67	-174.4	0	0	0	109.2	F428 I430 I517 L630 I637 L638 I647	F428-I645 PolarHBondContact N-O 2.87Å; F428-I645 PolarHBondContact O-N 2.84Å; I430-I645 HydrophobicContact CD1-CB 4.06Å; I430-I645 HydrophobicContact CD1-CD1 3.14Å; I430-I645 HydrophobicContact CD1-CG1 3.34Å; I430-I645 HydrophobicContact CG1-CG1 4.36Å; I517-I645 HydrophobicContact CD1-CG2 4.44Å; I517-I645 HydrophobicContact CG1-CG2 4.49Å; I517-I645 HydrophobicContact CG2-CG2 3.87Å; L630-I645 HydrophobicContact CD1-CD1 4.44Å; I637-I645 HydrophobicContact CG2-CD1 3.85Å; I637-I645 HydrophobicContact CG2-CG1 3.99Å; I637-I645 HydrophobicContact CG2-CG2 3.91Å; L638-I645 HydrophobicContact CD1-CG1 3.95Å; I645-I647 HydrophobicContact CG2-CG1 4.26Å
646	T	77.8	Confident	72.1	Confident	29 Å²	29	37.2 Å²	37.2	18%	0.178	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.9	173.9	-56	0	0	0	0	109.8	V425 V426 N427 R518	V425-T646 HydrophobicContact CG1-CG2 3.44Å; V425-T646 VanDerWaalsContact CG1-CG2 3.44Å; V426-T646 WeakPolarHBondContact O-CA 3.4Å; N427-T646 WeakPolarHBondContact OD1-CB 3.2Å; N427-T646 WeakPolarHBondContact OD1-CG2 3.36Å; N427-T646 PolarHBondContact OD1-OG1 3.4Å; R518-T646 HydrophobicContact CB-CG2 4.3Å; R518-T646 PolarHBondContact N-O 3.42Å
647	I	77.2	Confident	73	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.4	176.7	-60.9	169.4	0	0	0	108	V425 V426 L454 L456 A463 L515 I645 I649	V425-I647 WeakPolarHBondContact CA-O 3.26Å; V426-I647 PolarHBondContact N-O 2.86Å; V426-I647 PolarHBondContact O-N 2.86Å; L454-I647 HydrophobicContact CD2-CD1 4.1Å; L456-I647 HydrophobicContact CD2-CD1 4.15Å; A463-I647 HydrophobicContact CB-CD1 4.07Å; L515-I647 HydrophobicContact CD2-CG2 4.13Å; I645-I647 HydrophobicContact CG2-CG1 4.26Å; I647-I649 HydrophobicContact CG2-CG1 4.27Å
648	E	82	Confident	73.3	Confident	14 Å²	14	38 Å²	38	7%	0.065	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.6	173.5	-56.6	-169.6	163.7	0	0	109.1	R323 V425 R516 R518	R323-E648 IonicContact NH2-OE2 3.03Å; R323-E648 PolarHBondContact NH2-OE2 3.25Å; V425-E648 HydrophobicContact CG1-CG 4.44Å; V425-E648 HydrophobicContact CG2-CG 4.11Å; R516-E648 HydrophobicContact CB-CB 4.23Å; R516-E648 PolarHBondContact N-O 2.84Å; R516-E648 PolarHBondContact O-N 2.89Å; R518-E648 HydrophobicContact CB-CG 4.48Å; R518-E648 WeakPolarHBondContact CD-OE1 3.28Å; R518-E648 IonicContact NH1-OE1 4Å
649	I	83.2	Confident	73.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.7	177.4	-52	169.3	0	0	0	107.5	L423 T424 I444 V465 C513 L515 I647 W651	L423-I649 CarbonylContact C-O 3.56Å; L423-I649 VanDerWaalsContact CA-O 3.24Å; L423-I649 WeakPolarHBondContact CA-O 3.45Å; T424-I649 PolarHBondContact N-O 3.25Å; T424-I649 PolarHBondContact O-N 2.75Å; I444-I649 HydrophobicContact CD1-CD1 3.18Å; V465-I649 HydrophobicContact CG2-CD1 4.02Å; C513-I649 HydrophobicContact CB-CG2 4.26Å; L515-I649 HydrophobicContact CD2-CD1 4.45Å; L515-I649 HydrophobicContact CD2-CG1 3.76Å; L515-I649 HydrophobicContact CD2-CG2 4.47Å; I647-I649 HydrophobicContact CG2-CG1 4.27Å; I649-W651 HydrophobicContact CG2-CD2 4.35Å; I649-W651 HydrophobicContact CG2-CH2 4.27Å; I649-W651 HydrophobicContact CG2-CZ2 3.74Å
650	Q	83.3	Confident	73.1	Confident	15 Å²	15	37.3 Å²	37.3	7%	0.07	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.8	174.8	173.4	-178.6	7.6	0	0	110.1	E421 R422 L423 C513 K514 L652	E421-Q650 HydrophobicContact CB-CG 4.49Å; E421-Q650 VanDerWaalsContact CD-NE2 3.28Å; E421-Q650 HydrophobicContact CG-CG 4.4Å; E421-Q650 VanDerWaalsContact CG-NE2 3.35Å; E421-Q650 PolarHBondContact OE1-NE2 2.82Å; E421-Q650 PolarHBondContact OE1-OE1 3.08Å; R422-Q650 WeakPolarHBondContact O-CA 3.49Å; L423-Q650 HydrophobicContact CD2-CB 3.78Å; L423-Q650 HydrophobicContact CD2-CG 4.23Å; C513-Q650 CarbonylContact C-O 3.59Å; C513-Q650 WeakPolarHBondContact CA-O 3.25Å; C513-Q650 VanDerWaalsContact CB-O 3.27Å; C513-Q650 WeakPolarHBondContact CB-O 3.27Å; K514-Q650 HydrophobicContact CB-CB 4.23Å; K514-Q650 PolarHBondContact N-O 3.09Å; K514-Q650 PolarHBondContact O-N 3.43Å; Q650-L652 HydrophobicContact CG-CD2 3.81Å; Q650-L652 HydrophobicContact CG-CG 4.44Å; Q650-L652 VanDerWaalsContact NE2-CD2 3.28Å
651	W	84.1	Confident	73.1	Confident	13 Å²	13	33.3 Å²	33.3	5%	0.049	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.7	176.9	-55.2	93.5	0	0	0	109.3	R422 T424 D446 P447 W452 C513 I649	R422-W651 HydrophobicContact CB-CB 4.39Å; R422-W651 PolarHBondContact O-N 3.34Å; T424-W651 PolarHBondContact OG1-NE1 2.79Å; D446-W651 HydrophobicContact CB-CD2 3.89Å; D446-W651 HydrophobicContact CB-CE3 4.04Å; D446-W651 HydrophobicContact CB-CH2 3.59Å; D446-W651 HydrophobicContact CB-CZ2 3.4Å; D446-W651 VanDerWaalsContact CB-CZ2 3.4Å; D446-W651 HydrophobicContact CB-CZ3 3.91Å; P447-W651 VanDerWaalsContact CD-NE1 3.27Å; P447-W651 HydrophobicContact CG-CB 4.47Å; P447-W651 VanDerWaalsContact CG-CD1 3.47Å; P447-W651 HydrophobicContact CG-CG 4.02Å; W452-W651 AromaticContact CD1-CH2 3.73Å; W452-W651 AromaticContact CD2-CH2 3.62Å; W452-W651 HydrophobicContact CD2-CH2 3.62Å; W452-W651 HydrophobicContact CD2-CZ3 4.01Å; W452-W651 AromaticContact CE2-CH2 3.49Å; W452-W651 VanDerWaalsContact CE2-CH2 3.49Å; W452-W651 AromaticContact CE2-CZ3 3.5Å; W452-W651 HydrophobicContact CE3-CH2 4.17Å; W452-W651 HydrophobicContact CE3-CZ3 4.39Å; W452-W651 AromaticContact CG-CH2 3.83Å; W452-W651 HydrophobicContact CG-CH2 3.83Å; W452-W651 HydrophobicContact CH2-CH2 4.47Å; W452-W651 AromaticContact CH2-CZ3 3.91Å; W452-W651 HydrophobicContact CH2-CZ3 3.91Å; W452-W651 AromaticContact CZ2-CH2 3.98Å; W452-W651 HydrophobicContact CZ2-CH2 3.98Å; W452-W651 AromaticContact CZ2-CZ3 3.49Å; W452-W651 HydrophobicContact CZ2-CZ3 3.49Å; W452-W651 VanDerWaalsContact CZ2-CZ3 3.49Å; W452-W651 HydrophobicContact CZ3-CZ3 4.32Å; W452-W651 AromaticContact NE1-CH2 3.56Å; W452-W651 AromaticContact NE1-CZ3 3.84Å; C513-W651 HydrophobicContact CB-CD2 4.44Å; C513-W651 HydrophobicContact CB-CE3 3.85Å; C513-W651 HydrophobicContact CB-CZ3 4.07Å; I649-W651 HydrophobicContact CG2-CD2 4.35Å; I649-W651 HydrophobicContact CG2-CH2 4.27Å; I649-W651 HydrophobicContact CG2-CZ2 3.74Å
652	L	78.4	Confident	73	Confident	46 Å²	46	26.6 Å²	26.6	24%	0.241	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-51.9	-169.7	-62.5	174	0	0	0	112.3	G512 Q650	G512-L652 PolarHBondContact O-N 2.87Å; Q650-L652 HydrophobicContact CG-CD2 3.81Å; Q650-L652 HydrophobicContact CG-CG 4.44Å; Q650-L652 VanDerWaalsContact NE2-CD2 3.28Å
653	F	77.4	Confident	73	Confident	19 Å²	19	28.5 Å²	28.5	8%	0.083	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	156.8	-176	51.1	-98.2	0	0	0	111.4	Y40 H42 L510 F511 G512 L538	Y40-F653 HydrophobicContact CD1-CD2 4.19Å; Y40-F653 HydrophobicContact CD1-CE2 4.12Å; Y40-F653 HydrophobicContact CE1-CB 4.44Å; Y40-F653 AromaticContact CE1-CD1 3.83Å; Y40-F653 HydrophobicContact CE1-CD1 3.83Å; Y40-F653 AromaticContact CE1-CD2 3.57Å; Y40-F653 HydrophobicContact CE1-CD2 3.57Å; Y40-F653 AromaticContact CE1-CE1 3.92Å; Y40-F653 HydrophobicContact CE1-CE1 3.92Å; Y40-F653 AromaticContact CE1-CE2 3.66Å; Y40-F653 HydrophobicContact CE1-CE2 3.66Å; Y40-F653 AromaticContact CE1-CG 3.67Å; Y40-F653 HydrophobicContact CE1-CG 3.67Å; Y40-F653 AromaticContact CE1-CZ 3.86Å; Y40-F653 HydrophobicContact CE1-CZ 3.86Å; Y40-F653 AromaticContact CZ-CG 3.96Å; Y40-F653 WeakPolarHBondContact OH-CD1 3.37Å; H42-F653 HydrophobicContact CB-CE1 4.2Å; H42-F653 AromaticContact ND1-CD1 3.99Å; H42-F653 AromaticContact ND1-CE1 3.92Å; L510-F653 HydrophobicContact CD2-CD2 4.36Å; L510-F653 HydrophobicContact CD2-CE2 3.94Å; L510-F653 HydrophobicContact CG-CD2 4.46Å; L510-F653 HydrophobicContact CG-CE2 4.02Å; F511-F653 WeakPolarHBondContact CA-O 3.23Å; G512-F653 VanDerWaalsContact CA-CE2 3.47Å; G512-F653 VanDerWaalsContact CA-CZ 3.43Å; G512-F653 VanDerWaalsContact N-CE2 3.33Å; G512-F653 PolarHBondContact N-O 3.47Å; L538-F653 HydrophobicContact CD2-CE2 4.43Å; L538-F653 HydrophobicContact CD2-CZ 3.71Å
654	R	78	Confident	72.9	Confident	81 Å²	81	30 Å²	30	31%	0.306	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	118.6	173.8	176.9	-176.6	177.6	-144.6	-1.4	108.7	F448 L510 F511	F448-R654 HydrophobicContact CE2-CB 4.5Å; L510-R654 CarbonylContact O-C 3.4Å; L510-R654 VanDerWaalsContact O-CA 3.28Å; L510-R654 WeakPolarHBondContact O-CA 3.5Å; F511-R654 HydrophobicContact CD1-CB 4.17Å; F511-R654 HydrophobicContact CD1-CG 3.95Å; F511-R654 HydrophobicContact CE1-CB 4.21Å; F511-R654 HydrophobicContact CE1-CG 3.53Å; F511-R654 HydrophobicContact CZ-CG 4.23Å
655	H	76.4	Confident	72.7	Confident	7 Å²	7	29.4 Å²	29.4	3%	0.032	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.3	176.4	-63.2	-59.8	0	0	0	111.5	L37 Y40 F52 Y509 L510	L37-H655 HydrophobicContact CD2-CB 3.89Å; Y40-H655 AromaticContact CD1-CD2 3.8Å; Y40-H655 AromaticContact CD2-CD2 3.59Å; Y40-H655 AromaticContact CD2-NE2 3.63Å; Y40-H655 AromaticContact CE1-CD2 3.86Å; Y40-H655 AromaticContact CE2-CD2 3.67Å; Y40-H655 AromaticContact CE2-NE2 3.28Å; Y40-H655 VanDerWaalsContact CE2-NE2 3.28Å; Y40-H655 WeakPolarHBondContact CE2-NE2 3.06Å; Y40-H655 AromaticContact CG-CD2 3.62Å; Y40-H655 AromaticContact CZ-CD2 3.77Å; Y40-H655 AromaticContact CZ-NE2 3.49Å; F52-H655 AromaticContact CE1-CE1 3.69Å; F52-H655 AromaticContact CE1-NE2 3.92Å; Y509-H655 CarbonylContact C-O 3.45Å; Y509-H655 WeakPolarHBondContact CA-O 3.35Å; L510-H655 HydrophobicContact CB-CB 4.26Å; L510-H655 PolarHBondContact N-O 3.41Å; L510-H655 PolarHBondContact O-N 3.26Å
656	Q	72.2	Confident	72.7	Confident	27 Å²	27	32.6 Å²	32.6	13%	0.126	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.7	169.1	-175.7	178.4	-33.1	0	0	108.1	Y507 L508 Y509	Y507-Q656 HydrophobicContact CD1-CG 3.77Å; Y507-Q656 VanDerWaalsContact CD1-NE2 3.28Å; Y507-Q656 HydrophobicContact CG-CG 4.24Å; L508-Q656 CarbonylContact O-C 3.48Å; L508-Q656 WeakPolarHBondContact O-CA 3Å; Y509-Q656 HydrophobicContact CD1-CB 4Å; Y509-Q656 HydrophobicContact CD1-CG 4.34Å; Y509-Q656 HydrophobicContact CE1-CB 3.86Å; Y509-Q656 HydrophobicContact CE1-CG 4.08Å
657	I	73.4	Confident	72.5	Confident	13 Å²	13	36.4 Å²	36.4	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133	-173	-63	-173.3	0	0	0	110.3	L37 H38 Y507 L508 L510	L37-I657 HydrophobicContact CD2-CG1 4.4Å; L37-I657 CarbonylContact O-C 3.56Å; L37-I657 VanDerWaalsContact O-CA 3.31Å; L37-I657 WeakPolarHBondContact O-CA 3.13Å; H38-I657 WeakPolarHBondContact O-CG2 3.21Å; Y507-I657 CarbonylContact C-O 3.5Å; Y507-I657 VanDerWaalsContact CA-O 3.26Å; Y507-I657 WeakPolarHBondContact CA-O 3.47Å; L508-I657 PolarHBondContact N-O 2.83Å; L508-I657 PolarHBondContact O-N 2.9Å; L510-I657 HydrophobicContact CB-CD1 3.69Å; L510-I657 HydrophobicContact CB-CG1 4.12Å; L510-I657 HydrophobicContact CD1-CD1 4.43Å; L510-I657 HydrophobicContact CD2-CD1 3.56Å; L510-I657 HydrophobicContact CG-CD1 4.04Å
658	Y	69	Low	72.5	Confident	46 Å²	46	36.8 Å²	36.8	18%	0.18	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.9	174.3	-175.2	-114.4	0	0	0	111.5	P36 L37 H38 G506 Y507 D660	P36-Y658 HydrophobicContact CB-CD1 4.25Å; P36-Y658 HydrophobicContact CB-CG 4.02Å; P36-Y658 HydrophobicContact CG-CD1 4.05Å; P36-Y658 HydrophobicContact CG-CG 4.32Å; L37-Y658 PolarHBondContact O-N 3.14Å; H38-Y658 PolarHBondContact CD2-O 3.45Å; G506-Y658 WeakPolarHBondContact O-CD2 3.36Å; Y507-Y658 HydrophobicContact CD1-CD2 4.18Å; Y507-Y658 HydrophobicContact CD2-CD2 4.02Å; Y507-Y658 AromaticContact CE1-CD2 3.96Å; Y507-Y658 HydrophobicContact CE1-CD2 3.96Å; Y507-Y658 HydrophobicContact CE1-CG 4.25Å; Y507-Y658 AromaticContact CE2-CD2 3.76Å; Y507-Y658 HydrophobicContact CE2-CD2 3.76Å; Y507-Y658 HydrophobicContact CE2-CE2 4.24Å; Y507-Y658 HydrophobicContact CG-CD2 4.24Å; Y507-Y658 AromaticContact CZ-CD2 3.74Å; Y658-D660 HydrophobicContact CE1-CB 3.82Å; Y658-D660 HydrophobicContact CE2-CB 4.15Å; Y658-D660 WeakPolarHBondContact CE2-OD2 3.37Å; Y658-D660 WeakPolarHBondContact OH-CB 3.31Å; Y658-D660 VanDerWaalsContact OH-CG 3.3Å; Y658-D660 PolarHBondContact OH-OD2 3.38Å
659	I	65.4	Low	72.2	Confident	30 Å²	30	37.3 Å²	37.3	15%	0.154	18%	0.181	C	C	.	.			trans	-106.6	-19.1	-167.6	-58	162.8	0	0	0	113.9	G506 L508 L569 T661 L662	G506-I659 PolarHBondContact O-N 3.06Å; L508-I659 HydrophobicContact CB-CD1 3.24Å; L508-I659 HydrophobicContact CB-CG1 4.02Å; L508-I659 HydrophobicContact CD1-CD1 3.92Å; L508-I659 HydrophobicContact CG-CD1 4.11Å; L569-I659 HydrophobicContact CD1-CD1 4.23Å; L569-I659 HydrophobicContact CD1-CG2 3.77Å; I659-T661 PolarHBondContact O-N 3.18Å; I659-L662 HydrophobicContact CG2-CB 4.38Å; I659-L662 PolarHBondContact O-N 3.48Å
660	D	60.1	Low	71.9	Confident	67 Å²	67	40.3 Å²	40.3	36%	0.358	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.7	-165	-71.6	-13.3	0	0	0	114.5	Y658	Y658-D660 HydrophobicContact CE1-CB 3.82Å; Y658-D660 HydrophobicContact CE2-CB 4.15Å; Y658-D660 WeakPolarHBondContact CE2-OD2 3.37Å; Y658-D660 WeakPolarHBondContact OH-CB 3.31Å; Y658-D660 VanDerWaalsContact OH-CG 3.3Å; Y658-D660 PolarHBondContact OH-OD2 3.38Å
661	T	59.9	Low	71.7	Confident	13 Å²	13	44.8 Å²	44.8	8%	0.08	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	22.1	178.5	57.4	0	0	0	0	115.4	H38 L55 I659 Y663 Q664	H38-T661 PolarHBondContact CE1-O 2.86Å; H38-T661 PolarHBondContact NE2-O 2.91Å; H38-T661 PolarHBondContact NE2-OG1 3.19Å; L55-T661 VanDerWaalsContact CD2-OG1 3.3Å; L55-T661 WeakPolarHBondContact CD2-OG1 3.39Å; I659-T661 PolarHBondContact O-N 3.18Å; T661-Y663 PolarHBondContact O-N 2.84Å; T661-Y663 VanDerWaalsContact O-N 3.11Å; T661-Q664 PolarHBondContact O-N 3.35Å
662	L	60.4	Low	71.6	Confident	39 Å²	39	44.4 Å²	44.4	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-53.4	-35.5	-174.8	-161.5	78.7	0	0	0	114.2	H38 I659 Q664 T665 D666	H38-L662 WeakPolarHBondContact CE1-CA 3.5Å; H38-L662 PolarHBondContact NE2-N 2.75Å; H38-L662 VanDerWaalsContact O-CD1 3.25Å; H38-L662 WeakPolarHBondContact O-CD1 3.22Å; I659-L662 HydrophobicContact CG2-CB 4.38Å; I659-L662 PolarHBondContact O-N 3.48Å; L662-Q664 VanDerWaalsContact C-N 3.29Å; L662-Q664 PolarHBondContact O-N 3.02Å; L662-T665 PolarHBondContact O-N 3.5Å; L662-T665 PolarHBondContact O-OG1 3.14Å; L662-D666 PolarHBondContact O-N 2.99Å
663	Y	65.1	Low	71.8	Confident	104 Å²	104	48.9 Å²	48.9	41%	0.408	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-31.8	-178.9	69.1	-83.5	0	0	0	113.3	T661 D666 E667	T661-Y663 PolarHBondContact O-N 2.84Å; T661-Y663 VanDerWaalsContact O-N 3.11Å; Y663-D666 PolarHBondContact O-N 2.91Å; Y663-E667 WeakPolarHBondContact O-CB 3.21Å; Y663-E667 WeakPolarHBondContact O-CG 3.35Å; Y663-E667 PolarHBondContact O-N 3.04Å
664	Q	64.8	Low	72.1	Confident	38 Å²	38	53.2 Å²	53.2	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-71.1	-40.5	-177.2	-61.8	-177.7	0.7	0	0	111.9	F186 T661 L662 D666 I668	F186-Q664 HydrophobicContact CE1-CB 4.23Å; F186-Q664 HydrophobicContact CZ-CB 4.27Å; T661-Q664 PolarHBondContact O-N 3.35Å; L662-Q664 VanDerWaalsContact C-N 3.29Å; L662-Q664 PolarHBondContact O-N 3.02Å; Q664-D666 VanDerWaalsContact C-N 3.34Å; Q664-I668 WeakPolarHBondContact O-CG1 3.37Å; Q664-I668 PolarHBondContact O-N 2.9Å
665	T	67	Low	72.6	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.043	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-39.6	174.3	46.1	0	0	0	0	111.6	H38 T53 I192 L662 I668 G669	H38-T665 WeakPolarHBondContact CE1-CG2 3.22Å; H38-T665 PolarHBondContact CE1-OG1 3.09Å; H38-T665 VanDerWaalsContact ND1-CG2 3.26Å; H38-T665 WeakPolarHBondContact ND1-CG2 3.38Å; H38-T665 PolarHBondContact ND1-OG1 3.08Å; T53-T665 HydrophobicContact CG2-CG2 4.39Å; I192-T665 HydrophobicContact CD1-CG2 3.49Å; I192-T665 VanDerWaalsContact CD1-CG2 3.49Å; I192-T665 HydrophobicContact CG1-CG2 3.73Å; I192-T665 HydrophobicContact CG2-CG2 4.47Å; L662-T665 PolarHBondContact O-N 3.5Å; L662-T665 PolarHBondContact O-OG1 3.14Å; T665-I668 PolarHBondContact O-N 2.78Å; T665-G669 PolarHBondContact O-N 3.44Å
666	D	71.3	Confident	73.1	Confident	74 Å²	74	54.9 Å²	54.9	40%	0.396	27%	0.268	S	S	.	.	H	α-helix	trans	-69.2	-38.5	-178.8	-73.5	-11.8	0	0	0	111.6	L662 Y663 Q664 G669 A670	L662-D666 PolarHBondContact O-N 2.99Å; Y663-D666 PolarHBondContact O-N 2.91Å; Q664-D666 VanDerWaalsContact C-N 3.34Å; D666-G669 PolarHBondContact O-N 2.75Å; D666-A670 WeakPolarHBondContact O-CB 3.4Å; D666-A670 PolarHBondContact O-N 2.98Å
667	E	74.5	Confident	73.8	Confident	110 Å²	110	60 Å²	60	51%	0.514	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-44.7	174.1	-79.3	-176.9	-171.3	0	0	112.7	Y663 A670 R671	Y663-E667 WeakPolarHBondContact O-CB 3.21Å; Y663-E667 WeakPolarHBondContact O-CG 3.35Å; Y663-E667 PolarHBondContact O-N 3.04Å; E667-A670 PolarHBondContact O-N 2.96Å; E667-R671 VanDerWaalsContact O-CB 3.24Å; E667-R671 WeakPolarHBondContact O-CB 3.48Å; E667-R671 PolarHBondContact O-N 3.01Å
668	I	76.3	Confident	74.5	Confident	9 Å²	9	63 Å²	63	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-47	176.6	-67.9	172.5	0	0	0	109.8	R145 F186 I192 Q664 T665 A670 R671 Q672	R145-I668 HydrophobicContact CG-CD1 4.23Å; F186-I668 HydrophobicContact CE1-CD1 3.66Å; F186-I668 HydrophobicContact CE2-CD1 4.42Å; F186-I668 HydrophobicContact CZ-CD1 3.35Å; I192-I668 HydrophobicContact CD1-CD1 3.81Å; Q664-I668 WeakPolarHBondContact O-CG1 3.37Å; Q664-I668 PolarHBondContact O-N 2.9Å; T665-I668 PolarHBondContact O-N 2.78Å; I668-A670 PolarHBondContact O-N 3Å; I668-R671 PolarHBondContact O-N 3.35Å; I668-Q672 HydrophobicContact CG2-CG 4.2Å; I668-Q672 WeakPolarHBondContact O-CB 3.26Å; I668-Q672 WeakPolarHBondContact O-CG 3.3Å; I668-Q672 PolarHBondContact O-N 2.85Å
669	G	76.8	Confident	75.4	Confident	26 Å²	26	64 Å²	64	27%	0.268	31%	0.309	S	S	.	.	H	α-helix	trans	-57.8	-46.2	177.2	0	0	0	0	0	112.3	T665 D666 Y673	T665-G669 PolarHBondContact O-N 3.44Å; D666-G669 PolarHBondContact O-N 2.75Å; G669-Y673 WeakPolarHBondContact O-CB 3.4Å; G669-Y673 PolarHBondContact O-N 2.72Å
670	A	76.7	Confident	76.5	Confident	63 Å²	63	67.8 Å²	67.8	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-43.2	177.9	0	0	0	0	0	112.4	D666 E667 I668 Y673 H674	D666-A670 WeakPolarHBondContact O-CB 3.4Å; D666-A670 PolarHBondContact O-N 2.98Å; E667-A670 PolarHBondContact O-N 2.96Å; I668-A670 PolarHBondContact O-N 3Å; A670-Y673 PolarHBondContact O-N 3.14Å; A670-H674 PolarHBondContact O-N 2.61Å
671	R	79.6	Confident	78	Confident	108 Å²	108	68.2 Å²	68.2	41%	0.408	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-49.7	176.7	-174.3	-174.2	-59.6	133.9	6.8	111.2	R145 E667 I668 Y673 H674 Q675	R145-R671 PolarHBondContact O-NH1 3.46Å; E667-R671 VanDerWaalsContact O-CB 3.24Å; E667-R671 WeakPolarHBondContact O-CB 3.48Å; E667-R671 PolarHBondContact O-N 3.01Å; I668-R671 PolarHBondContact O-N 3.35Å; R671-Y673 VanDerWaalsContact C-N 3.34Å; R671-Y673 PolarHBondContact O-N 3.09Å; R671-H674 PolarHBondContact O-N 2.98Å; R671-Q675 WeakPolarHBondContact O-CG 3.33Å; R671-Q675 PolarHBondContact O-N 3.26Å
672	Q	81.3	Confident	79.5	Confident	5 Å²	5	74.5 Å²	74.5	2%	0.023	35%	0.352	C	S	.	.	H	α-helix	trans	-63.2	-41	178.3	-73	-165.9	3.1	0	0	111.4	N144 F148 N151 I668 H674 Q675 M676	N144-Q672 PolarHBondContact O-NE2 2.89Å; F148-Q672 HydrophobicContact CB-CB 3.89Å; F148-Q672 HydrophobicContact CB-CG 3.83Å; N151-Q672 PolarHBondContact ND2-OE1 3.12Å; N151-Q672 VanDerWaalsContact ND2-OE1 3.1Å; N151-Q672 PolarHBondContact OD1-NE2 3.47Å; N151-Q672 VanDerWaalsContact OD1-NE2 3.11Å; I668-Q672 HydrophobicContact CG2-CG 4.2Å; I668-Q672 WeakPolarHBondContact O-CB 3.26Å; I668-Q672 WeakPolarHBondContact O-CG 3.3Å; I668-Q672 PolarHBondContact O-N 2.85Å; Q672-H674 VanDerWaalsContact C-N 3.34Å; Q672-H674 PolarHBondContact O-N 3.19Å; Q672-Q675 PolarHBondContact O-N 2.78Å; Q672-M676 WeakPolarHBondContact O-CG 3.38Å; Q672-M676 PolarHBondContact O-N 3.4Å
673	Y	83.3	Confident	80.9	Confident	141 Å²	141	76.8 Å²	76.8	55%	0.553	36%	0.364	S	S	*	.	H	α-helix	trans	-59.3	-43.6	174.3	178	-96.7	0	0	0	112.1	G669 A670 R671 M676 R677	G669-Y673 WeakPolarHBondContact O-CB 3.4Å; G669-Y673 PolarHBondContact O-N 2.72Å; A670-Y673 PolarHBondContact O-N 3.14Å; R671-Y673 VanDerWaalsContact C-N 3.34Å; R671-Y673 PolarHBondContact O-N 3.09Å; Y673-M676 PolarHBondContact O-N 2.81Å; Y673-R677 VanDerWaalsContact O-CB 3.3Å; Y673-R677 WeakPolarHBondContact O-CB 3.3Å; Y673-R677 PolarHBondContact O-N 2.85Å
674	H	83.7	Confident	82.2	Confident	109 Å²	109	74.7 Å²	74.7	51%	0.505	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.3	-173	72.6	0	0	0	112.2	A670 R671 Q672 R677 N678	A670-H674 PolarHBondContact O-N 2.61Å; R671-H674 PolarHBondContact O-N 2.98Å; Q672-H674 VanDerWaalsContact C-N 3.34Å; Q672-H674 PolarHBondContact O-N 3.19Å; H674-R677 PolarHBondContact O-N 2.88Å; H674-N678 PolarHBondContact CD2-ND2 3.01Å; H674-N678 VanDerWaalsContact CD2-ND2 3.34Å; H674-N678 PolarHBondContact NE2-ND2 2.72Å; H674-N678 VanDerWaalsContact O-CG 3.26Å; H674-N678 PolarHBondContact O-N 2.88Å; H674-N678 PolarHBondContact O-ND2 3.42Å
675	Q	86.5	Confident	83.5	Confident	41 Å²	41	79.6 Å²	79.6	19%	0.192	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-51.7	174.9	-71.6	172.3	-11.6	0	0	111.7	N146 F148 R671 Q672 R677 N678 E679	N146-Q675 PolarHBondContact O-NE2 3.27Å; N146-Q675 PolarHBondContact O-OE1 2.79Å; F148-Q675 HydrophobicContact CD1-CB 3.73Å; F148-Q675 HydrophobicContact CE1-CB 3.93Å; R671-Q675 WeakPolarHBondContact O-CG 3.33Å; R671-Q675 PolarHBondContact O-N 3.26Å; Q672-Q675 PolarHBondContact O-N 2.78Å; Q675-R677 VanDerWaalsContact C-N 3.31Å; Q675-R677 PolarHBondContact O-N 2.82Å; Q675-N678 PolarHBondContact O-N 2.86Å; Q675-E679 PolarHBondContact O-N 3.17Å
676	M	87.3	Confident	84.8	Confident	83 Å²	83	84.7 Å²	84.7	41%	0.409	41%	0.406	S	S	.	.	H	α-helix	trans	-58.6	-42.5	177.7	-73	-173.4	-65.2	0	0	111.9	F148 Q672 Y673 N678 E679 L680	F148-M676 HydrophobicContact CB-CG 4.26Å; F148-M676 HydrophobicContact CD1-CG 3.6Å; F148-M676 HydrophobicContact CD2-CG 3.5Å; F148-M676 VanDerWaalsContact CD2-CG 3.5Å; F148-M676 HydrophobicContact CD2-SD 3.94Å; F148-M676 HydrophobicContact CE1-CB 4.44Å; F148-M676 HydrophobicContact CE1-CG 3.71Å; F148-M676 HydrophobicContact CE2-CG 3.62Å; F148-M676 HydrophobicContact CE2-SD 4.38Å; F148-M676 HydrophobicContact CG-CG 3.48Å; F148-M676 VanDerWaalsContact CG-CG 3.48Å; F148-M676 HydrophobicContact CG-SD 4.18Å; F148-M676 HydrophobicContact CZ-CG 3.71Å; Q672-M676 WeakPolarHBondContact O-CG 3.38Å; Q672-M676 PolarHBondContact O-N 3.4Å; Y673-M676 PolarHBondContact O-N 2.81Å; M676-N678 VanDerWaalsContact C-N 3.34Å; M676-N678 PolarHBondContact O-N 2.86Å; M676-E679 PolarHBondContact O-N 2.93Å; M676-L680 WeakPolarHBondContact O-CB 3.44Å; M676-L680 PolarHBondContact O-N 2.66Å
677	R	86.7	Confident	85.7	Confident	135 Å²	135	85.8 Å²	85.8	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-41.8	177.8	-177.8	174.9	177	147.9	-1.3	111.9	Y673 H674 Q675 L680 I681	Y673-R677 VanDerWaalsContact O-CB 3.3Å; Y673-R677 WeakPolarHBondContact O-CB 3.3Å; Y673-R677 PolarHBondContact O-N 2.85Å; H674-R677 PolarHBondContact O-N 2.88Å; Q675-R677 VanDerWaalsContact C-N 3.31Å; Q675-R677 PolarHBondContact O-N 2.82Å; R677-L680 PolarHBondContact O-N 2.84Å; R677-I681 HydrophobicContact CG-CD1 4.07Å; R677-I681 WeakPolarHBondContact O-CD1 3.37Å; R677-I681 VanDerWaalsContact O-CG1 3.24Å; R677-I681 WeakPolarHBondContact O-CG1 3.24Å; R677-I681 PolarHBondContact O-N 2.77Å
678	N	88.7	Confident	86.6	Confident	76 Å²	76	83.7 Å²	83.7	41%	0.406	40%	0.4	S	S	.	.	H	α-helix	trans	-67.3	-39.8	177.7	-68.8	-18.3	0	0	0	111.7	H674 Q675 M676 I681 R682	H674-N678 PolarHBondContact CD2-ND2 3.01Å; H674-N678 VanDerWaalsContact CD2-ND2 3.34Å; H674-N678 PolarHBondContact NE2-ND2 2.72Å; H674-N678 VanDerWaalsContact O-CG 3.26Å; H674-N678 PolarHBondContact O-N 2.88Å; H674-N678 PolarHBondContact O-ND2 3.42Å; Q675-N678 PolarHBondContact O-N 2.86Å; M676-N678 VanDerWaalsContact C-N 3.34Å; M676-N678 PolarHBondContact O-N 2.86Å; N678-I681 PolarHBondContact O-N 3.02Å; N678-R682 PolarHBondContact O-N 3.14Å
679	E	88.4	Confident	87.4	Confident	66 Å²	66	86.9 Å²	86.9	31%	0.308	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-41.6	174.4	-71.7	-165.2	-165.5	0	0	112.3	F148 Q675 M676 I681 R682 I683	F148-E679 HydrophobicContact CE1-CG 4.42Å; F148-E679 HydrophobicContact CZ-CG 4.42Å; F148-E679 WeakPolarHBondContact CZ-OE2 3.27Å; Q675-E679 PolarHBondContact O-N 3.17Å; M676-E679 PolarHBondContact O-N 2.93Å; E679-I681 VanDerWaalsContact C-N 3.33Å; E679-I681 PolarHBondContact O-N 2.85Å; E679-R682 WeakPolarHBondContact O-CB 3.23Å; E679-R682 PolarHBondContact O-N 2.59Å; E679-R682 VanDerWaalsContact O-N 3.15Å; E679-R682 IonicContact OE2-NH2 3.87Å; E679-I683 VanDerWaalsContact O-CG1 3.29Å; E679-I683 WeakPolarHBondContact O-CG1 3.39Å; E679-I683 PolarHBondContact O-N 2.8Å
680	L	88.8	Confident	88.1	Confident	110 Å²	110	90.2 Å²	90.2	58%	0.576	43%	0.425	S	S	*	.	H	α-helix	trans	-61.8	-42.1	175.5	-173.9	68.1	0	0	0	111.5	M676 R677 R682 I683 T684	M676-L680 WeakPolarHBondContact O-CB 3.44Å; M676-L680 PolarHBondContact O-N 2.66Å; R677-L680 PolarHBondContact O-N 2.84Å; L680-R682 VanDerWaalsContact C-N 3.33Å; L680-R682 PolarHBondContact O-N 2.91Å; L680-I683 PolarHBondContact O-N 3.22Å; L680-T684 WeakPolarHBondContact O-CB 3.34Å; L680-T684 PolarHBondContact O-N 3.14Å; L680-T684 PolarHBondContact O-OG1 2.72Å
681	I	90.5	Very high	88.7	Confident	75 Å²	75	92 Å²	92	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-63.3	-40.6	174.8	-68.8	164.3	0	0	0	110.6	R677 N678 E679 T684 K685	R677-I681 HydrophobicContact CG-CD1 4.07Å; R677-I681 WeakPolarHBondContact O-CD1 3.37Å; R677-I681 VanDerWaalsContact O-CG1 3.24Å; R677-I681 WeakPolarHBondContact O-CG1 3.24Å; R677-I681 PolarHBondContact O-N 2.77Å; N678-I681 PolarHBondContact O-N 3.02Å; E679-I681 VanDerWaalsContact C-N 3.33Å; E679-I681 PolarHBondContact O-N 2.85Å; I681-T684 PolarHBondContact O-N 3.43Å; I681-K685 HydrophobicContact CG2-CD 4.41Å; I681-K685 WeakPolarHBondContact O-CG 3.32Å; I681-K685 PolarHBondContact O-N 3.02Å
682	R	90.9	Very high	89.2	Confident	145 Å²	145	94.3 Å²	94.3	55%	0.547	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-50	175.3	-174.1	-176.3	70.7	-152.2	-4.7	111.1	N678 E679 L680 T684 K685 E686	N678-R682 PolarHBondContact O-N 3.14Å; E679-R682 WeakPolarHBondContact O-CB 3.23Å; E679-R682 PolarHBondContact O-N 2.59Å; E679-R682 VanDerWaalsContact O-N 3.15Å; E679-R682 IonicContact OE2-NH2 3.87Å; L680-R682 VanDerWaalsContact C-N 3.33Å; L680-R682 PolarHBondContact O-N 2.91Å; R682-T684 VanDerWaalsContact C-N 3.31Å; R682-T684 PolarHBondContact O-N 3.15Å; R682-K685 PolarHBondContact O-N 2.73Å; R682-E686 WeakPolarHBondContact O-CB 3.3Å; R682-E686 PolarHBondContact O-N 3.26Å
683	I	90.8	Very high	89.5	Confident	88 Å²	88	97.5 Å²	97.5	45%	0.451	45%	0.447	S	S	.	.	H	α-helix	trans	-62.9	-38.4	179	-67.4	165.5	0	0	0	110.9	E679 L680 E686 K687	E679-I683 VanDerWaalsContact O-CG1 3.29Å; E679-I683 WeakPolarHBondContact O-CG1 3.39Å; E679-I683 PolarHBondContact O-N 2.8Å; L680-I683 PolarHBondContact O-N 3.22Å; I683-E686 PolarHBondContact O-N 3.38Å; I683-K687 VanDerWaalsContact O-CB 3.32Å; I683-K687 WeakPolarHBondContact O-CB 3.48Å; I683-K687 PolarHBondContact O-N 2.63Å
684	T	92.1	Very high	89.5	Confident	60 Å²	60	95.7 Å²	95.7	37%	0.368	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-46	176.6	-55.1	0	0	0	0	110.8	L680 I681 R682 E686 K687 D688	L680-T684 WeakPolarHBondContact O-CB 3.34Å; L680-T684 PolarHBondContact O-N 3.14Å; L680-T684 PolarHBondContact O-OG1 2.72Å; I681-T684 PolarHBondContact O-N 3.43Å; R682-T684 VanDerWaalsContact C-N 3.31Å; R682-T684 PolarHBondContact O-N 3.15Å; T684-E686 VanDerWaalsContact C-N 3.33Å; T684-E686 PolarHBondContact O-N 2.85Å; T684-K687 PolarHBondContact O-N 3.45Å; T684-D688 WeakPolarHBondContact O-CB 3.23Å; T684-D688 PolarHBondContact O-N 2.79Å
685	K	92.1	Very high	89.4	Confident	141 Å²	141	96.7 Å²	96.7	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-61.5	-41.1	175.4	-73.1	176.8	179.6	-176.4	0	112.4	I681 R682 D688 E689	I681-K685 HydrophobicContact CG2-CD 4.41Å; I681-K685 WeakPolarHBondContact O-CG 3.32Å; I681-K685 PolarHBondContact O-N 3.02Å; R682-K685 PolarHBondContact O-N 2.73Å; K685-D688 PolarHBondContact O-N 2.83Å; K685-E689 WeakPolarHBondContact O-CB 3.44Å; K685-E689 PolarHBondContact O-N 3.17Å
686	E	93.9	Very high	89.2	Confident	113 Å²	113	95.6 Å²	95.6	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-65	-44.6	176.8	-174.1	177.2	176.4	0	0	111.3	R682 I683 T684 D688 E689 L690	R682-E686 WeakPolarHBondContact O-CB 3.3Å; R682-E686 PolarHBondContact O-N 3.26Å; I683-E686 PolarHBondContact O-N 3.38Å; T684-E686 VanDerWaalsContact C-N 3.33Å; T684-E686 PolarHBondContact O-N 2.85Å; E686-D688 PolarHBondContact O-N 3.47Å; E686-E689 PolarHBondContact O-N 2.99Å; E686-L690 HydrophobicContact CG-CD1 4.21Å; E686-L690 WeakPolarHBondContact O-CB 3.46Å; E686-L690 WeakPolarHBondContact O-CG 3.49Å; E686-L690 PolarHBondContact O-N 3.05Å
687	K	91.6	Very high	88.8	Confident	98 Å²	98	98.4 Å²	98.4	43%	0.426	46%	0.462	S	S	.	.	H	α-helix	trans	-58	-47.1	173.4	-171	-163.2	78.2	93.2	0	111.4	I683 T684 E689 L690 E691	I683-K687 VanDerWaalsContact O-CB 3.32Å; I683-K687 WeakPolarHBondContact O-CB 3.48Å; I683-K687 PolarHBondContact O-N 2.63Å; T684-K687 PolarHBondContact O-N 3.45Å; K687-E689 VanDerWaalsContact C-N 3.3Å; K687-E689 PolarHBondContact O-N 3.08Å; K687-L690 PolarHBondContact O-N 2.99Å; K687-E691 VanDerWaalsContact NZ-CD 3.29Å; K687-E691 IonicContact NZ-OE1 2.69Å; K687-E691 PolarHBondContact NZ-OE1 3.42Å; K687-E691 IonicContact NZ-OE2 3.16Å; K687-E691 PolarHBondContact NZ-OE2 2.79Å; K687-E691 WeakPolarHBondContact O-CB 3.42Å; K687-E691 WeakPolarHBondContact O-CG 3.43Å; K687-E691 PolarHBondContact O-N 3.27Å
688	D	93.5	Very high	88.2	Confident	65 Å²	65	102.1 Å²	102.1	35%	0.348	48%	0.477	S	S	.	.	H	α-helix	trans	-68.2	-29	-179.4	-64.2	-14.5	0	0	0	112.4	T684 K685 E686 R692	T684-D688 WeakPolarHBondContact O-CB 3.23Å; T684-D688 PolarHBondContact O-N 2.79Å; K685-D688 PolarHBondContact O-N 2.83Å; E686-D688 PolarHBondContact O-N 3.47Å; D688-R692 WeakPolarHBondContact O-CG 3.24Å; D688-R692 PolarHBondContact O-N 2.65Å; D688-R692 PolarHBondContact O-NE 2.92Å; D688-R692 VanDerWaalsContact O-NE 3.17Å
689	E	92.8	Very high	87.4	Confident	77 Å²	77	104.7 Å²	104.7	36%	0.36	49%	0.488	S	S	.	.	H	α-helix	trans	-73.1	-45.4	172.2	-173.3	59	-145.8	0	0	111.4	K685 E686 K687 E691 R692 Q693	K685-E689 WeakPolarHBondContact O-CB 3.44Å; K685-E689 PolarHBondContact O-N 3.17Å; E686-E689 PolarHBondContact O-N 2.99Å; K687-E689 VanDerWaalsContact C-N 3.3Å; K687-E689 PolarHBondContact O-N 3.08Å; E689-E691 VanDerWaalsContact C-N 3.34Å; E689-E691 PolarHBondContact O-N 3.12Å; E689-R692 WeakPolarHBondContact O-CB 3.38Å; E689-R692 PolarHBondContact O-N 3.36Å; E689-R692 IonicContact OE2-CZ 3.44Å; E689-R692 IonicContact OE2-NE 2.78Å; E689-R692 IonicContact OE2-NH1 3.2Å; E689-R692 IonicContact OE2-NH2 3.47Å; E689-R692 PolarHBondContact OE2-NH2 3.25Å; E689-Q693 WeakPolarHBondContact O-CG 3.19Å; E689-Q693 PolarHBondContact O-N 2.87Å; E689-Q693 PolarHBondContact OE1-NE2 3.44Å
690	L	91.9	Very high	86.3	Confident	95 Å²	95	104.3 Å²	104.3	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-38.6	175.9	-71.2	172.6	0	0	0	112	E686 K687 R692 Q693 L694	E686-L690 HydrophobicContact CG-CD1 4.21Å; E686-L690 WeakPolarHBondContact O-CB 3.46Å; E686-L690 WeakPolarHBondContact O-CG 3.49Å; E686-L690 PolarHBondContact O-N 3.05Å; K687-L690 PolarHBondContact O-N 2.99Å; L690-R692 VanDerWaalsContact C-N 3.35Å; L690-Q693 PolarHBondContact O-N 2.86Å; L690-L694 VanDerWaalsContact O-CB 3.31Å; L690-L694 WeakPolarHBondContact O-CB 3.46Å; L690-L694 PolarHBondContact O-N 2.84Å
691	E	89	Confident	84.5	Confident	101 Å²	101	104.7 Å²	104.7	47%	0.472	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-40.1	173.5	-79	177.6	-177.2	0	0	111.8	K687 E689 L694 M695	K687-E691 VanDerWaalsContact NZ-CD 3.29Å; K687-E691 IonicContact NZ-OE1 2.69Å; K687-E691 PolarHBondContact NZ-OE1 3.42Å; K687-E691 IonicContact NZ-OE2 3.16Å; K687-E691 PolarHBondContact NZ-OE2 2.79Å; K687-E691 WeakPolarHBondContact O-CB 3.42Å; K687-E691 WeakPolarHBondContact O-CG 3.43Å; K687-E691 PolarHBondContact O-N 3.27Å; E689-E691 VanDerWaalsContact C-N 3.34Å; E689-E691 PolarHBondContact O-N 3.12Å; E691-L694 PolarHBondContact O-N 3Å; E691-M695 WeakPolarHBondContact O-CB 3.46Å; E691-M695 PolarHBondContact O-N 3Å
692	R	88.6	Confident	82.7	Confident	156 Å²	156	104.7 Å²	104.7	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-43.3	174.4	-82.8	-177.3	-76.2	159.1	4.8	112.4	D688 E689 L690 M695 G696	D688-R692 WeakPolarHBondContact O-CG 3.24Å; D688-R692 PolarHBondContact O-N 2.65Å; D688-R692 PolarHBondContact O-NE 2.92Å; D688-R692 VanDerWaalsContact O-NE 3.17Å; E689-R692 WeakPolarHBondContact O-CB 3.38Å; E689-R692 PolarHBondContact O-N 3.36Å; E689-R692 IonicContact OE2-CZ 3.44Å; E689-R692 IonicContact OE2-NE 2.78Å; E689-R692 IonicContact OE2-NH1 3.2Å; E689-R692 IonicContact OE2-NH2 3.47Å; E689-R692 PolarHBondContact OE2-NH2 3.25Å; L690-R692 VanDerWaalsContact C-N 3.35Å; R692-M695 PolarHBondContact O-N 2.84Å; R692-G696 PolarHBondContact O-N 3.4Å
693	Q	88.2	Confident	80.8	Confident	72 Å²	72	104.9 Å²	104.9	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-46.7	175.8	-70.3	176.4	12.9	0	0	111.1	E689 L690 M695 G696 F697	E689-Q693 WeakPolarHBondContact O-CG 3.19Å; E689-Q693 PolarHBondContact O-N 2.87Å; E689-Q693 PolarHBondContact OE1-NE2 3.44Å; L690-Q693 PolarHBondContact O-N 2.86Å; Q693-M695 VanDerWaalsContact C-N 3.31Å; Q693-M695 PolarHBondContact O-N 3.07Å; Q693-G696 WeakPolarHBondContact O-CA 3.31Å; Q693-G696 PolarHBondContact O-N 3.48Å; Q693-G696 VanDerWaalsContact O-N 3.09Å; Q693-F697 HydrophobicContact CB-CE2 4.45Å; Q693-F697 WeakPolarHBondContact O-CD2 3.37Å; Q693-F697 PolarHBondContact O-N 3.09Å
694	L	83.2	Confident	78.7	Confident	104 Å²	104	106.4 Å²	106.4	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-39.9	177.2	-168.4	79.7	0	0	0	112	L690 E691 F697 R698	L690-L694 VanDerWaalsContact O-CB 3.31Å; L690-L694 WeakPolarHBondContact O-CB 3.46Å; L690-L694 PolarHBondContact O-N 2.84Å; E691-L694 PolarHBondContact O-N 3Å; L694-F697 PolarHBondContact O-N 2.87Å; L694-R698 WeakPolarHBondContact O-CB 3Å; L694-R698 PolarHBondContact O-N 3.07Å
695	M	83.2	Confident	76.4	Confident	130 Å²	130	108.2 Å²	108.2	64%	0.64	53%	0.529	S	S	*	.	H	α-helix	trans	-65.5	-41	174.3	-168.9	170.3	-174.4	0	0	111.3	E691 R692 Q693 R698 M699	E691-M695 WeakPolarHBondContact O-CB 3.46Å; E691-M695 PolarHBondContact O-N 3Å; R692-M695 PolarHBondContact O-N 2.84Å; Q693-M695 VanDerWaalsContact C-N 3.31Å; Q693-M695 PolarHBondContact O-N 3.07Å; M695-R698 PolarHBondContact O-N 3.29Å; M695-M699 HydrophobicContact CG-CG 4.36Å; M695-M699 WeakPolarHBondContact O-CB 3.01Å; M695-M699 WeakPolarHBondContact O-CG 3.48Å; M695-M699 PolarHBondContact O-N 3.44Å
696	G	81.6	Confident	74.6	Confident	18 Å²	18	106.4 Å²	106.4	19%	0.186	53%	0.534	C	S	.	.	H	α-helix	trans	-56.7	-48.4	171.5	0	0	0	0	0	112.4	R692 Q693 M699 G700 L701	R692-G696 PolarHBondContact O-N 3.4Å; Q693-G696 WeakPolarHBondContact O-CA 3.31Å; Q693-G696 PolarHBondContact O-N 3.48Å; Q693-G696 VanDerWaalsContact O-N 3.09Å; G696-M699 PolarHBondContact O-N 3.28Å; G696-G700 PolarHBondContact O-N 3.05Å; G696-L701 WeakPolarHBondContact O-CB 3.27Å; G696-L701 PolarHBondContact O-N 3.18Å
697	F	77.6	Confident	72.8	Confident	141 Å²	141	111.6 Å²	111.6	62%	0.618	55%	0.549	S	S	*	.	H	α-helix	trans	-61.7	-45.1	175.8	-76.2	-67.3	0	0	0	112.7	Q693 L694 M699 G700	Q693-F697 HydrophobicContact CB-CE2 4.45Å; Q693-F697 WeakPolarHBondContact O-CD2 3.37Å; Q693-F697 PolarHBondContact O-N 3.09Å; L694-F697 PolarHBondContact O-N 2.87Å; F697-M699 VanDerWaalsContact C-N 3.33Å; F697-M699 PolarHBondContact O-N 2.93Å; F697-G700 PolarHBondContact O-N 3.36Å; F697-G700 VanDerWaalsContact O-N 3.08Å
698	R	74.9	Confident	70.7	Confident	214 Å²	214	110.8 Å²	110.8	81%	0.808	55%	0.552	S	S	*	*	H	α-helix	trans	-64	-36.1	177.5	-85.2	-173.3	172.8	-169.1	-1.2	113.1	L694 M695 G700	L694-R698 WeakPolarHBondContact O-CB 3Å; L694-R698 PolarHBondContact O-N 3.07Å; M695-R698 PolarHBondContact O-N 3.29Å; R698-G700 PolarHBondContact O-N 2.85Å
699	M	72.8	Confident	68.5	Low	130 Å²	130	117 Å²	117	64%	0.64	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	0.3	176.4	-67.9	-64.7	-65.8	0	0	112.6	M695 G696 F697 L701	M695-M699 HydrophobicContact CG-CG 4.36Å; M695-M699 WeakPolarHBondContact O-CB 3.01Å; M695-M699 WeakPolarHBondContact O-CG 3.48Å; M695-M699 PolarHBondContact O-N 3.44Å; G696-M699 PolarHBondContact O-N 3.28Å; F697-M699 VanDerWaalsContact C-N 3.33Å; F697-M699 PolarHBondContact O-N 2.93Å; M699-L701 HydrophobicContact CB-CD1 4.12Å; M699-L701 HydrophobicContact CB-CG 4.01Å; M699-L701 PolarHBondContact O-N 3.08Å
700	G	64.7	Low	66	Low	57 Å²	57	115.1 Å²	115.1	59%	0.588	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	16.9	-175.9	0	0	0	0	0	113.3	G696 F697 R698 V702	G696-G700 PolarHBondContact O-N 3.05Å; F697-G700 PolarHBondContact O-N 3.36Å; F697-G700 VanDerWaalsContact O-N 3.08Å; R698-G700 PolarHBondContact O-N 2.85Å; G700-V702 PolarHBondContact O-N 2.84Å
701	L	51	Low	63.6	Low	119 Å²	119	115.2 Å²	115.2	62%	0.623	59%	0.585	S	S	*	*			trans	-77.8	92.3	175.9	-64	174	0	0	0	107.9	G696 M699 Q703	G696-L701 WeakPolarHBondContact O-CB 3.27Å; G696-L701 PolarHBondContact O-N 3.18Å; M699-L701 HydrophobicContact CB-CD1 4.12Å; M699-L701 HydrophobicContact CB-CG 4.01Å; M699-L701 PolarHBondContact O-N 3.08Å; L701-Q703 PolarHBondContact O-N 2.76Å
702	V	53.2	Low	61.4	Low	75 Å²	75	118.3 Å²	118.3	46%	0.455	60%	0.598	S	S	.	*			trans	-57.6	119	167.3	178.8	0	0	0	0	107.1	G700 I704	G700-V702 PolarHBondContact O-N 2.84Å; V702-I704 PolarHBondContact O-N 3.36Å
703	Q	50.4	Low	59.2	Low	149 Å²	149	114.8 Å²	114.8	70%	0.696	60%	0.597	S	S	*	*			trans	-59.8	106.6	171.6	-118	179	-10.1	0	0	107.7	L701 D705	L701-Q703 PolarHBondContact O-N 2.76Å; Q703-D705 PolarHBondContact O-N 3.44Å
704	I	46.1	Very low	57.2	Low	120 Å²	120	119.3 Å²	119.3	62%	0.615	62%	0.62	S	S	*	*			trans	-75.3	104	173.3	-57.7	173.8	0	0	0	105.4	V702 S706	V702-I704 PolarHBondContact O-N 3.36Å; I704-S706 PolarHBondContact O-N 3.42Å; I704-S706 VanDerWaalsContact O-N 3.1Å
705	D	43.3	Very low	55	Low	98 Å²	98	120 Å²	120	52%	0.524	62%	0.623	S	S	.	*			trans	-63.9	114.2	171.6	-167.1	-9.8	0	0	0	108.1	Q703 R707 T708	Q703-D705 PolarHBondContact O-N 3.44Å; D705-R707 PolarHBondContact O-N 2.79Å; D705-T708 CarbonylContact O-C 3.36Å; D705-T708 PolarHBondContact O-N 3.39Å; D705-T708 VanDerWaalsContact O-O 3.12Å
706	S	56.3	Low	52.9	Low	102 Å²	102	118 Å²	118	71%	0.713	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-17.3	-176.1	56.7	0	0	0	0	114.3	I704	I704-S706 PolarHBondContact O-N 3.42Å; I704-S706 VanDerWaalsContact O-N 3.1Å
707	R	55.2	Low	51.1	Low	223 Å²	223	125 Å²	125	84%	0.842	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-17.5	178.4	-69	-174.6	175.5	-167.3	-1.3	114.4	D705	D705-R707 PolarHBondContact O-N 2.79Å
708	T	47.3	Very low	49.6	Very low	81 Å²	81	127.5 Å²	127.5	50%	0.497	67%	0.666	S	S	.	*	S	Bend	trans	-123.1	100.9	177.8	49.5	0	0	0	0	108.6	D705 G710	D705-T708 CarbonylContact O-C 3.36Å; D705-T708 PolarHBondContact O-N 3.39Å; D705-T708 VanDerWaalsContact O-O 3.12Å; T708-G710 VanDerWaalsContact C-N 3.28Å; T708-G710 PolarHBondContact O-N 2.93Å
709	H	47.8	Very low	47.9	Very low	196 Å²	196	120.9 Å²	120.9	91%	0.907	65%	0.653	S	S	*	*	S	Bend	trans	-58.2	87	173.7	-64.7	-67.4	0	0	0	110.9
710	G	40.6	Very low	46.3	Very low	36 Å²	36	120 Å²	120	37%	0.371	65%	0.649	S	S	.	*	S	Bend	trans	159.1	130.2	171.6	0	0	0	0	0	112.4	T708 K712	T708-G710 VanDerWaalsContact C-N 3.28Å; T708-G710 PolarHBondContact O-N 2.93Å; G710-K712 PolarHBondContact O-N 3.3Å; G710-K712 VanDerWaalsContact O-N 3.16Å
711	P	41.5	Very low	44.9	Very low	97 Å²	97	123.6 Å²	123.6	63%	0.63	66%	0.662	S	S	*	*			trans	-62.9	119.6	174.5	26.4	-31.3	0	0	0	108.6	S713	P711-S713 VanDerWaalsContact C-N 3.26Å; P711-S713 PolarHBondContact O-N 2.78Å
712	K	41.7	Very low	44.3	Very low	167 Å²	167	121.3 Å²	121.3	73%	0.726	67%	0.668	S	S	*	*			trans	-65.4	96.6	161.7	-87.9	-176.9	176.6	175.2	0	106.8	G710 M714	G710-K712 PolarHBondContact O-N 3.3Å; G710-K712 VanDerWaalsContact O-N 3.16Å; K712-M714 PolarHBondContact O-N 3.24Å
713	S	43.4	Very low	43.6	Very low	81 Å²	81	125.9 Å²	125.9	57%	0.566	69%	0.688	S	S	*	*			trans	-53.4	112.9	158.5	175.2	0	0	0	0	106.8	P711	P711-S713 VanDerWaalsContact C-N 3.26Å; P711-S713 PolarHBondContact O-N 2.78Å
714	M	46	Very low	42.7	Very low	167 Å²	167	125.8 Å²	125.8	82%	0.823	70%	0.698	S	S	*	*			trans	-89.8	14.3	176.1	-96.3	-165.5	49.9	0	0	112.3	K712	K712-M714 PolarHBondContact O-N 3.24Å
715	L	36.9	Very low	41.9	Very low	119 Å²	119	123 Å²	123	62%	0.623	70%	0.699	S	S	*	*	S	Bend	trans	-62.1	130.2	161.9	-70.9	175.8	0	0	0	107.7	L717	L715-L717 PolarHBondContact O-N 3.42Å
716	P	38.2	Very low	41.4	Very low	87 Å²	87	127.3 Å²	127.3	57%	0.565	72%	0.715	S	S	*	*			trans	-51.3	127.6	-177.7	-23.6	31.2	0	0	0	110	E718 S719	P716-E718 PolarHBondContact O-N 3.35Å; P716-S719 PolarHBondContact O-N 3.31Å; P716-S719 PolarHBondContact O-OG 3.08Å
717	L	43.6	Very low	40.2	Very low	167 Å²	167	128.4 Å²	128.4	87%	0.874	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-52.9	-15.5	-179	-88.8	135.7	0	0	0	113.9	L715 S719	L715-L717 PolarHBondContact O-N 3.42Å; L717-S719 PolarHBondContact O-N 3.36Å
718	E	46.2	Very low	39	Very low	192 Å²	192	129.3 Å²	129.3	90%	0.897	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-66.2	-13.5	175.2	-65.3	174.1	171.9	0	0	114	P716	P716-E718 PolarHBondContact O-N 3.35Å
719	S	40.3	Very low	38.1	Very low	76 Å²	76	132.2 Å²	132.2	53%	0.531	74%	0.744	S	S	.	*	G	3₁₀ helix	trans	-95.4	1.7	-177.5	53.5	0	0	0	0	115.4	P716 L717	P716-S719 PolarHBondContact O-N 3.31Å; P716-S719 PolarHBondContact O-OG 3.08Å; L717-S719 PolarHBondContact O-N 3.36Å
720	I	39.5	Very low	37.3	Very low	111 Å²	111	129.2 Å²	129.2	57%	0.569	74%	0.74	S	S	*	*			trans	-127.5	98.8	-178.3	-51.1	177.9	0	0	0	110.6	G722	I720-G722 PolarHBondContact O-N 2.59Å
721	P	33.9	Very low	36.7	Very low	133 Å²	133	133.4 Å²	133.4	86%	0.864	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	120.9	174.9	-5.1	20.6	0	0	0	109.9
722	G	39.8	Very low	36.1	Very low	71 Å²	71	136.5 Å²	136.5	73%	0.732	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.5	-7.1	156.8	0	0	0	0	0	119.3	I720	I720-G722 PolarHBondContact O-N 2.59Å
723	L	37.6	Very low	35.8	Very low	170 Å²	170	134.4 Å²	134.4	89%	0.89	78%	0.776	S	S	*	*			trans	-104.3	74.2	177	-89.6	98.4	0	0	0	112.8
724	V	31.8	Very low	35.2	Very low	147 Å²	147	136.5 Å²	136.5	89%	0.891	79%	0.791	S	S	*	*			trans	-104.8	101.3	158.9	178.1	0	0	0	0	106.7
725	G	30.2	Very low	34.1	Very low	62 Å²	62	132 Å²	132	64%	0.639	79%	0.788	S	S	*	*			trans	-163.7	84.3	-175.4	0	0	0	0	0	113.1
726	H	31.9	Very low	33.7	Very low	188 Å²	188	135.3 Å²	135.3	87%	0.87	80%	0.8	S	S	*	*			trans	17.6	113	156.7	-55.7	-39.1	0	0	0	119.5
727	S	32	Very low	33.2	Very low	125 Å²	125	139 Å²	139	87%	0.874	82%	0.815	S	S	*	*			trans	-123.8	116.7	158.3	-72.8	0	0	0	0	110.1
728	R	28.6	Very low	32.4	Very low	242 Å²	242	142.9 Å²	142.9	91%	0.913	82%	0.818	S	S	*	*			trans	-74.5	130.6	179.7	-76.6	178.4	173.9	-173.1	-2.3	110.6
729	T	29.6	Very low	31.4	Very low	142 Å²	142	141.9 Å²	141.9	87%	0.871	81%	0.814	S	S	*	*			trans	-58.8	126.8	168.3	36.7	0	0	0	0	112.2
730	T	29.4	Very low	30.8	Very low	134 Å²	134	146.1 Å²	146.1	82%	0.822	83%	0.83	S	S	*	*			trans	-122.6	123.1	160.7	35.8	0	0	0	0	108.9
731	S	27.7	Very low	30.3	Very low	123 Å²	123	146.7 Å²	146.7	86%	0.86	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-79.7	130.6	-176.3	44.9	0	0	0	0	111.5
732	I	30.6	Very low	29.9	Very low	162 Å²	162	145.7 Å²	145.7	83%	0.831	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-98.8	136.8	171.6	-61.9	171.2	0	0	0	107.9
733	P	35.2	Very low	29.2	Very low	123 Å²	123	153.9 Å²	153.9	80%	0.799	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-82.9	132.4	-171.7	7.3	10.6	0	0	0	111.6
734	S	29.3	Very low	28.7	Very low	126 Å²	126	157.4 Å²	157.4	88%	0.881	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-80.2	123.6	173.5	53.2	0	0	0	0	110.9
735	G	24.4	Very low	28.6	Very low	73 Å²	73	155.5 Å²	155.5	75%	0.753	85%	0.846	S	S	*	*			trans	179	90.8	167.1	0	0	0	0	0	111.3
736	E	28.9	Very low	28.4	Very low	188 Å²	188	161.5 Å²	161.5	88%	0.879	86%	0.857	S	S	*	*			trans	-157	123.4	147.8	-111.9	169	-159	0	0	110.1
737	N	26.9	Very low	28.1	Very low	165 Å²	165	161.7 Å²	161.7	88%	0.882	86%	0.855	S	S	*	*			trans	-71	121.8	-170.4	-104	-31.6	0	0	0	111.5	Q739	N737-Q739 PolarHBondContact O-N 3.3Å
738	W	27.1	Very low	27.9	Very low	247 Å²	247	160.6 Å²	160.6	94%	0.936	85%	0.854	S	S	*	*			trans	-86.6	79.5	169.4	-73.3	82.8	0	0	0	110.7
739	Q	25.5	Very low	28	Very low	172 Å²	172	154.8 Å²	154.8	80%	0.804	85%	0.845	S	S	*	*			trans	-143.9	90.9	161.3	-74.6	-166.9	-11.1	0	0	108.2	N737	N737-Q739 PolarHBondContact O-N 3.3Å
740	D	27.2	Very low	27.9	Very low	164 Å²	164	155.5 Å²	155.5	88%	0.877	84%	0.843	S	S	*	*			trans	173.6	57	149.1	-89	-19	0	0	0	112.7
741	S	28	Very low	27.6	Very low	124 Å²	124	158 Å²	158	87%	0.867	85%	0.845	S	S	*	*			trans	-131.9	70.6	165	-100.8	0	0	0	0	111.1
742	S	27.1	Very low	27.4	Very low	111 Å²	111	159.8 Å²	159.8	78%	0.776	84%	0.84	S	S	*	*			trans	-144.3	52.4	167.2	59.4	0	0	0	0	112.1
743	R	23.8	Very low	27.2	Very low	244 Å²	244	156.9 Å²	156.9	92%	0.921	83%	0.832	S	S	*	*			trans	-144.7	78.9	161.9	-71.5	-166.1	-172.7	-175.1	4.3	111.1
744	Y	28.2	Very low	26.5	Very low	243 Å²	243	157 Å²	157	95%	0.953	83%	0.834	S	S	*	*			trans	-105	96	157.7	-103.2	-87.4	0	0	0	107.8
745	S	29.3	Very low	26.3	Very low	107 Å²	107	161 Å²	161	75%	0.748	83%	0.831	S	S	*	*			trans	-81.7	132.6	174.8	72.8	0	0	0	0	110.9	K747	S745-K747 PolarHBondContact O-N 3.08Å
746	E	26.7	Very low	26.3	Very low	188 Å²	188	166.4 Å²	166.4	88%	0.879	83%	0.834	S	S	*	*			trans	-27.4	107.3	160.1	-68.1	171.3	128.8	0	0	115.2
747	K	25.7	Very low	26.1	Very low	192 Å²	192	166.4 Å²	166.4	84%	0.835	84%	0.836	S	S	*	*			trans	-152	63.6	148.4	-77	-161.2	-179.9	172.3	0	110.3	S745 V749	S745-K747 PolarHBondContact O-N 3.08Å; K747-V749 VanDerWaalsContact C-N 3.34Å; K747-V749 PolarHBondContact O-N 3.17Å
748	A	27	Very low	25.9	Very low	103 Å²	103	165.2 Å²	165.2	85%	0.851	83%	0.83	S	S	*	*			trans	-91.6	77	161.7	0	0	0	0	0	108.3	L750	A748-L750 PolarHBondContact O-N 3.29Å
749	V	29.7	Very low	25.9	Very low	119 Å²	119	160.8 Å²	160.8	72%	0.721	83%	0.825	S	S	*	*			trans	-63.7	115.8	168.7	173.3	0	0	0	0	107.3	K747 Q751	K747-V749 VanDerWaalsContact C-N 3.34Å; K747-V749 PolarHBondContact O-N 3.17Å; V749-Q751 PolarHBondContact O-N 3.39Å
750	L	27.7	Very low	26.1	Very low	158 Å²	158	158.3 Å²	158.3	83%	0.827	82%	0.823	S	S	*	*			trans	-54.3	95.8	171.3	-79.6	154.9	0	0	0	110.1	A748 Q752	A748-L750 PolarHBondContact O-N 3.29Å; L750-Q752 VanDerWaalsContact C-N 3.32Å; L750-Q752 PolarHBondContact O-N 2.8Å
751	Q	23.9	Very low	26	Very low	187 Å²	187	156.4 Å²	156.4	87%	0.874	82%	0.817	S	S	*	*			trans	-74.2	89.1	162.5	-76.6	-178.5	-10.2	0	0	108.2	V749	V749-Q751 PolarHBondContact O-N 3.39Å
752	Q	24.2	Very low	25.8	Very low	160 Å²	160	155.6 Å²	155.6	75%	0.748	81%	0.812	S	S	*	*			trans	-74.3	129.4	161.7	-83.9	-173.5	-15.2	0	0	109	L750 C754	L750-Q752 VanDerWaalsContact C-N 3.32Å; L750-Q752 PolarHBondContact O-N 2.8Å; Q752-C754 PolarHBondContact O-N 2.98Å; Q752-C754 VanDerWaalsContact O-N 3.16Å
753	P	24.8	Very low	25.7	Very low	101 Å²	101	157.3 Å²	157.3	66%	0.656	81%	0.812	S	S	*	*			trans	-69.2	113.9	-179.5	-9.4	23.5	0	0	0	110	Y755	P753-Y755 HydrophobicContact CB-CE2 4.22Å; P753-Y755 PolarHBondContact O-N 3.07Å; P753-Y755 VanDerWaalsContact O-N 3.09Å
754	C	21.9	Very low	25.8	Very low	125 Å²	125	150.4 Å²	150.4	85%	0.845	80%	0.797	S	S	*	*			trans	-71.8	96.5	170	-69.2	0	0	0	0	109.2	Q752 K756	Q752-C754 PolarHBondContact O-N 2.98Å; Q752-C754 VanDerWaalsContact O-N 3.16Å; C754-K756 PolarHBondContact O-N 3.41Å; C754-K756 VanDerWaalsContact O-N 3.09Å
755	Y	25.5	Very low	25.6	Very low	211 Å²	211	148.3 Å²	148.3	83%	0.827	79%	0.793	S	S	*	*			trans	-70.2	101	164.7	-73.2	-83.1	0	0	0	108.6	P753 M757	P753-Y755 HydrophobicContact CB-CE2 4.22Å; P753-Y755 PolarHBondContact O-N 3.07Å; P753-Y755 VanDerWaalsContact O-N 3.09Å; Y755-M757 PolarHBondContact O-N 2.86Å; Y755-M757 VanDerWaalsContact O-N 3.08Å
756	K	23.7	Very low	25.4	Very low	186 Å²	186	153.2 Å²	153.2	81%	0.809	80%	0.796	S	S	*	*			trans	-64.3	101.2	167.5	-80.5	-177.8	174.5	179.4	0	108.8	C754 N758	C754-K756 PolarHBondContact O-N 3.41Å; C754-K756 VanDerWaalsContact O-N 3.09Å; K756-N758 PolarHBondContact O-N 2.89Å; K756-N758 VanDerWaalsContact O-N 3.13Å
757	M	24.8	Very low	25.2	Very low	188 Å²	188	153 Å²	153	93%	0.926	80%	0.795	S	S	*	*			trans	-73.4	94.7	162	-92.9	-178.9	161	0	0	108.4	Y755 N759	Y755-M757 PolarHBondContact O-N 2.86Å; Y755-M757 VanDerWaalsContact O-N 3.08Å; M757-N759 PolarHBondContact O-N 3.28Å
758	N	22.5	Very low	25	Very low	140 Å²	140	154.3 Å²	154.3	75%	0.749	80%	0.796	S	S	*	*			trans	-78.6	107.7	159.2	-73	-17.3	0	0	0	107.1	K756	K756-N758 PolarHBondContact O-N 2.89Å; K756-N758 VanDerWaalsContact O-N 3.13Å
759	N	27.8	Very low	24.9	Very low	154 Å²	154	156.3 Å²	156.3	82%	0.824	79%	0.793	S	S	*	*			trans	-148.4	122.1	150.6	-99.6	-20.4	0	0	0	108.9	M757	M757-N759 PolarHBondContact O-N 3.28Å
760	P	27.8	Very low	24.6	Very low	120 Å²	120	155 Å²	155	78%	0.779	79%	0.789	S	S	*	*			trans	-74.7	137	-169.2	30.2	-32.2	0	0	0	111	S762	P760-S762 PolarHBondContact O-N 3.4Å
761	V	25.1	Very low	24.6	Very low	124 Å²	124	155.5 Å²	155.5	75%	0.752	79%	0.787	S	S	*	*			trans	-59.5	112.3	174	177	0	0	0	0	109.8	N763	V761-N763 PolarHBondContact O-N 3.37Å
762	S	25.4	Very low	24.6	Very low	107 Å²	107	155.3 Å²	155.3	75%	0.748	79%	0.786	S	S	*	*			trans	-78	100.6	159	38.3	0	0	0	0	108.5	P760 V764	P760-S762 PolarHBondContact O-N 3.4Å; S762-V764 PolarHBondContact O-N 3.03Å
763	N	24.6	Very low	24.8	Very low	147 Å²	147	154.3 Å²	154.3	79%	0.786	79%	0.791	S	S	*	*			trans	-57	101.9	170.5	-91.7	-28.5	0	0	0	110.4	V761	V761-N763 PolarHBondContact O-N 3.37Å
764	V	26.2	Very low	24.7	Very low	99 Å²	99	158.4 Å²	158.4	60%	0.6	80%	0.798	S	S	*	*			trans	-105.2	101.8	160.5	-176.6	0	0	0	0	107.3	S762 Y766	S762-V764 PolarHBondContact O-N 3.03Å; V764-Y766 HydrophobicContact CB-CE2 4.24Å; V764-Y766 HydrophobicContact CG1-CD2 4.11Å; V764-Y766 HydrophobicContact CG1-CE2 3.65Å; V764-Y766 PolarHBondContact O-N 2.83Å
765	K	23.1	Very low	24.9	Very low	198 Å²	198	156.8 Å²	156.8	86%	0.861	79%	0.788	S	S	*	*			trans	-63.1	114.5	170.8	-76.5	178.4	174.2	179.5	0	108.3
766	Y	25.9	Very low	25	Very low	210 Å²	210	155.3 Å²	155.3	82%	0.824	79%	0.788	S	S	*	*			trans	-95.9	111.4	164.8	-80.2	-83	0	0	0	108.7	V764	V764-Y766 HydrophobicContact CB-CE2 4.24Å; V764-Y766 HydrophobicContact CG1-CD2 4.11Å; V764-Y766 HydrophobicContact CG1-CE2 3.65Å; V764-Y766 PolarHBondContact O-N 2.83Å
767	E	22.4	Very low	25	Very low	183 Å²	183	150.5 Å²	150.5	86%	0.855	78%	0.784	S	S	*	*			trans	-68.8	136.8	170.8	-90	178.3	154.7	0	0	110.9	N769	E767-N769 PolarHBondContact O-N 2.95Å
768	Y	21.1	Very low	25.1	Very low	220 Å²	220	147.9 Å²	147.9	86%	0.863	78%	0.778	S	S	*	*			trans	-87.5	92.5	-172	-152.4	-93.9	0	0	0	109.2
769	N	24.7	Very low	25.1	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	79%	0.785	S	S	*	*			trans	-97.3	95.5	170.8	-87.9	-18.9	0	0	0	110.5	E767 Q771	E767-N769 PolarHBondContact O-N 2.95Å; N769-Q771 PolarHBondContact O-N 2.92Å
770	S	23.5	Very low	25	Very low	90 Å²	90	148.9 Å²	148.9	63%	0.629	78%	0.783	S	S	*	*			trans	-71.9	107.3	163.9	60.1	0	0	0	0	109.2
771	Q	26.9	Very low	25.1	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	79%	0.785	S	S	*	*			trans	-125.2	109.6	160.6	-73.8	-170.4	-6.2	0	0	109.5	N769 T773	N769-Q771 PolarHBondContact O-N 2.92Å; Q771-T773 PolarHBondContact O-N 3.07Å
772	H	25.2	Very low	25.2	Very low	183 Å²	183	148.3 Å²	148.3	85%	0.847	79%	0.785	S	S	*	*			trans	-59.4	115.8	168.1	-78.2	-87.9	0	0	0	110
773	T	27.9	Very low	25.1	Very low	138 Å²	138	150.7 Å²	150.7	85%	0.847	79%	0.789	S	S	*	*			trans	-116.5	101.9	160.5	44.8	0	0	0	0	109	Q771	Q771-T773 PolarHBondContact O-N 3.07Å
774	K	23.1	Very low	25.2	Very low	188 Å²	188	154.4 Å²	154.4	82%	0.817	79%	0.793	S	S	*	*			trans	-66.8	142.1	166.7	-79	177.1	171.6	177.2	0	109.9
775	S	25.6	Very low	25.1	Very low	90 Å²	90	154.9 Å²	154.9	63%	0.629	80%	0.801	S	S	*	*			trans	52.2	124.8	145.4	59.8	0	0	0	0	119.1
776	H	27.7	Very low	25.3	Very low	180 Å²	180	150.5 Å²	150.5	83%	0.833	80%	0.796	S	S	*	*				-165.6	121.5	102.1	-94.8	-68.8	0	0	0	110
777	A	23.9	Very low	25.3	Very low	86 Å²	86	147.5 Å²	147.5	71%	0.711	79%	0.794	S	S	*	*			trans	-77.8	126.8	171.3	0	0	0	0	0	109.3
778	T	25.8	Very low	25.7	Very low	133 Å²	133	148.3 Å²	148.3	82%	0.816	79%	0.794	S	S	*	*			trans	-112.9	105.3	166.2	39.2	0	0	0	0	108.4
779	F	23.7	Very low	25.9	Very low	203 Å²	203	147.5 Å²	147.5	89%	0.89	80%	0.796	S	S	*	*			trans	-68.6	134.1	167.2	-84.6	-97.5	0	0	0	109.7
780	S	26.1	Very low	26	Very low	112 Å²	112	150 Å²	150	78%	0.783	80%	0.8	S	S	*	*			trans	-132.1	133.5	160.6	29.3	0	0	0	0	109.2
781	P	29.2	Very low	26	Very low	125 Å²	125	153.1 Å²	153.1	81%	0.812	81%	0.808	S	S	*	*			trans	-91.5	139.5	-160	2.7	18.3	0	0	0	112.1
782	S	26.8	Very low	25.8	Very low	107 Å²	107	150.9 Å²	150.9	75%	0.748	81%	0.809	S	S	*	*			trans	-75.6	114.1	172.1	51.5	0	0	0	0	111.6
783	N	22.8	Very low	25.7	Very low	157 Å²	157	150.5 Å²	150.5	84%	0.84	81%	0.805	S	S	*	*			trans	-98.9	99	163	-80.6	-20.3	0	0	0	108.7
784	Y	26.9	Very low	25.6	Very low	224 Å²	224	150.1 Å²	150.1	88%	0.878	81%	0.805	S	S	*	*			trans	-118.6	108.9	163.2	-93.4	-82.4	0	0	0	108.8	S786	Y784-S786 PolarHBondContact O-N 3.23Å
785	S	25.3	Very low	25.8	Very low	109 Å²	109	152.3 Å²	152.3	76%	0.762	81%	0.81	S	S	*	*			trans	-68.6	122.4	174.1	179.7	0	0	0	0	109.7	D787	S785-D787 PolarHBondContact O-N 3.33Å
786	S	25.9	Very low	25.7	Very low	107 Å²	107	151.2 Å²	151.2	75%	0.748	81%	0.812	S	S	*	*			trans	-78.6	103.2	175.5	51.4	0	0	0	0	110.6	Y784	Y784-S786 PolarHBondContact O-N 3.23Å
787	D	27.6	Very low	25.5	Very low	147 Å²	147	148.6 Å²	148.6	79%	0.786	82%	0.815	S	S	*	*			trans	-83.1	135	168.6	-86	-34.8	0	0	0	111.8	S785	S785-D787 PolarHBondContact O-N 3.33Å
788	K	29.9	Very low	25.5	Very low	199 Å²	199	150.3 Å²	150.3	87%	0.865	82%	0.82	S	S	*	*			trans	-71.8	123.2	-161.1	-64.5	171.6	174.9	172.7	0	112.5	K790	K788-K790 PolarHBondContact O-N 2.97Å
789	F	26.3	Very low	25.4	Very low	203 Å²	203	148.8 Å²	148.8	89%	0.89	82%	0.815	S	S	*	*			trans	-66	110.7	164.4	-79.8	-91.5	0	0	0	110.5
790	K	25.6	Very low	25.5	Very low	199 Å²	199	145.6 Å²	145.6	87%	0.865	81%	0.812	S	S	*	*			trans	-84.6	110.6	164.9	-91.5	-177.2	175.4	179	0	109.1	K788 C792	K788-K790 PolarHBondContact O-N 2.97Å; K790-C792 PolarHBondContact O-N 3.19Å
791	I	23.7	Very low	25.3	Very low	155 Å²	155	150.9 Å²	150.9	80%	0.795	82%	0.817	S	S	*	*			trans	-73.5	109.9	171.3	-63.9	163.8	0	0	0	108
792	C	22.3	Very low	25	Very low	123 Å²	123	153.5 Å²	153.5	83%	0.831	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-91.2	121.5	166.3	-73.7	0	0	0	0	109	K790	K790-C792 PolarHBondContact O-N 3.19Å
793	K	24.2	Very low	24.8	Very low	176 Å²	176	157.3 Å²	157.3	77%	0.765	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73.3	150.7	176.8	-73.5	-178.9	175.8	-179.2	0	111.1
794	P	26	Very low	24.8	Very low	130 Å²	130	157.3 Å²	157.3	84%	0.844	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.5	132.4	-174.9	30.8	-32.3	0	0	0	111
795	Y	25.8	Very low	24.7	Very low	234 Å²	234	154.7 Å²	154.7	92%	0.918	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-82	139.6	176.5	-87.4	-91.5	0	0	0	111.1
796	G	24.2	Very low	24.6	Very low	66 Å²	66	156 Å²	156	68%	0.68	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-71.3	156	-170.7	0	0	0	0	0	115.1	C798	G796-C798 PolarHBondContact O-N 3.26Å
797	S	23.6	Very low	24.5	Very low	126 Å²	126	158.8 Å²	158.8	88%	0.881	82%	0.823	S	S	*	*			trans	-41.8	117.1	171.3	50.1	0	0	0	0	114.2
798	C	24.1	Very low	24.4	Very low	122 Å²	122	157 Å²	157	82%	0.824	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.7	122.1	160.5	-83.9	0	0	0	0	109.5	G796 T800	G796-C798 PolarHBondContact O-N 3.26Å; C798-T800 PolarHBondContact O-N 3.33Å
799	S	22.9	Very low	24.2	Very low	101 Å²	101	155.5 Å²	155.5	71%	0.706	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.3	116.5	173.6	49.8	0	0	0	0	111
800	T	25.9	Very low	24.2	Very low	135 Å²	135	150.9 Å²	150.9	83%	0.828	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-84.6	122.5	172.6	26.5	0	0	0	0	110.6	C798	C798-T800 PolarHBondContact O-N 3.33Å
801	Y	21.6	Very low	24.2	Very low	224 Å²	224	148 Å²	148	88%	0.878	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.7	120.7	173.8	-80.6	-92.6	0	0	0	110
802	H	22.7	Very low	24.2	Very low	179 Å²	179	147.3 Å²	147.3	83%	0.829	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-74.4	120.1	171.8	-105	-82.4	0	0	0	109.9
803	M	23.7	Very low	24.3	Very low	187 Å²	187	147.8 Å²	147.8	92%	0.921	80%	0.796	S	S	*	*			trans	-99.9	114.2	157.1	-85	-138	158.7	0	0	108.8
804	E	21.5	Very low	24.2	Very low	158 Å²	158	149.8 Å²	149.8	74%	0.738	80%	0.8	S	S	*	*			trans	-73.3	117.4	173.5	-68.7	178.8	150.1	0	0	109.5
805	N	25.9	Very low	24.2	Very low	169 Å²	169	152.4 Å²	152.4	90%	0.904	80%	0.801	S	S	*	*			trans	-120.8	94.8	156.4	-96.2	-16.5	0	0	0	108	M807	N805-M807 PolarHBondContact O-N 3.5Å
806	N	22.9	Very low	24.2	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	79%	0.791	S	S	*	*			trans	-70.2	112.1	171	-77.5	-36.5	0	0	0	109.4
807	M	24.6	Very low	24.2	Very low	166 Å²	166	151 Å²	151	82%	0.818	80%	0.801	S	S	*	*			trans	-152.9	74.3	153.8	-88	-101.9	-163.6	0	0	107.7	N805	N805-M807 PolarHBondContact O-N 3.5Å
808	S	25.4	Very low	24.4	Very low	111 Å²	111	152.7 Å²	152.7	78%	0.776	80%	0.8	S	S	*	*			trans	-88.3	100.1	170.1	53.4	0	0	0	0	109.3
809	H	26.2	Very low	24.5	Very low	166 Å²	166	155.1 Å²	155.1	77%	0.769	80%	0.8	S	S	*	*			trans	-92	99.8	162	-79.4	-77.4	0	0	0	108.4	L811	H809-L811 PolarHBondContact O-N 2.85Å
810	S	24.4	Very low	24.6	Very low	106 Å²	106	155.5 Å²	155.5	74%	0.741	80%	0.802	S	S	*	*			trans	-75.3	103	168.9	58.2	0	0	0	0	109.1	L812	S810-L812 PolarHBondContact O-N 3.44Å
811	L	25.9	Very low	24.8	Very low	140 Å²	140	155.4 Å²	155.4	73%	0.733	80%	0.801	S	S	*	*			trans	-87.2	95.9	162.6	-101	136.2	0	0	0	107.6	H809 D813	H809-L811 PolarHBondContact O-N 2.85Å; L811-D813 VanDerWaalsContact CD2-OD2 3.24Å; L811-D813 WeakPolarHBondContact CD2-OD2 3.45Å
812	L	23.5	Very low	25.1	Very low	139 Å²	139	150.8 Å²	150.8	73%	0.728	80%	0.799	S	S	*	*			trans	-104.6	84.3	165.6	-80	167.4	0	0	0	106.4	S810 Y814	S810-L812 PolarHBondContact O-N 3.44Å; L812-Y814 PolarHBondContact O-N 2.78Å
813	D	25.4	Very low	25.2	Very low	133 Å²	133	151.9 Å²	151.9	71%	0.711	80%	0.796	S	S	*	*			trans	-85.6	98.2	168.7	-71.4	-24.7	0	0	0	108	L811 E815	L811-D813 VanDerWaalsContact CD2-OD2 3.24Å; L811-D813 WeakPolarHBondContact CD2-OD2 3.45Å; D813-E815 PolarHBondContact O-N 3.47Å
814	Y	21.4	Very low	25.5	Very low	218 Å²	218	147.1 Å²	147.1	86%	0.855	79%	0.786	S	S	*	*			trans	-69.7	106.4	158.1	-99.7	-95.2	0	0	0	107.2	L812	L812-Y814 PolarHBondContact O-N 2.78Å
815	E	27.3	Very low	25.7	Very low	185 Å²	185	145.2 Å²	145.2	86%	0.864	79%	0.79	S	S	*	*			trans	-108	124.6	159	-75.8	-167.5	160.6	0	0	110	D813	D813-E815 PolarHBondContact O-N 3.47Å
816	S	25.7	Very low	25.8	Very low	102 Å²	102	144.6 Å²	144.6	71%	0.713	78%	0.776	S	S	*	*			trans	-65.6	148.2	-170.5	41.1	0	0	0	0	113.1	D818	S816-D818 PolarHBondContact O-N 3.43Å
817	L	23.4	Very low	26	Very low	170 Å²	170	143.1 Å²	143.1	89%	0.89	77%	0.774	S	S	*	*			trans	-46.9	122.5	164.7	-73.4	84.8	0	0	0	110.6
818	D	27.5	Very low	26	Very low	160 Å²	160	142.9 Å²	142.9	86%	0.856	78%	0.775	S	S	*	*			trans	-115	138.7	156.4	-100.3	-21.8	0	0	0	110.5	S816	S816-D818 PolarHBondContact O-N 3.43Å
819	E	26.7	Very low	26	Very low	174 Å²	174	147.9 Å²	147.9	81%	0.813	78%	0.778	S	S	*	*			trans	-71.7	144.1	-160.4	-67.7	176.2	136.4	0	0	114.1
820	S	25.9	Very low	26	Very low	108 Å²	108	148.1 Å²	148.1	76%	0.755	78%	0.78	S	S	*	*			trans	8.7	114	147.2	57.4	0	0	0	0	118.6
821	T	28.8	Very low	26.1	Very low	133 Å²	133	149.2 Å²	149.2	82%	0.816	78%	0.784	S	S	*	*			trans	-123.5	135.4	143.3	36.5	0	0	0	0	109.9	R823	T821-R823 PolarHBondContact O-N 3.32Å
822	P	27.9	Very low	26.2	Very low	127 Å²	127	148.7 Å²	148.7	83%	0.825	79%	0.787	S	S	*	*			trans	-78.3	122.2	-165.8	28.3	-27.7	0	0	0	110.8	A824	P822-A824 PolarHBondContact O-N 3.44Å; P822-A824 VanDerWaalsContact O-N 3.12Å
823	R	25.9	Very low	26.4	Very low	203 Å²	203	147.7 Å²	147.7	77%	0.766	79%	0.791	S	S	*	*			trans	-57.6	113.4	174.3	-112.2	175.8	-179.2	160.5	5.1	110	T821	T821-R823 PolarHBondContact O-N 3.32Å
824	A	29	Very low	26.6	Very low	87 Å²	87	150.8 Å²	150.8	72%	0.719	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-55.4	140	172.4	0	0	0	0	0	111.4	P822 Y826	P822-A824 PolarHBondContact O-N 3.44Å; P822-A824 VanDerWaalsContact O-N 3.12Å; A824-Y826 PolarHBondContact O-N 2.9Å
825	S	26.9	Very low	26.9	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-53.6	125.4	-179.6	33	0	0	0	0	112.6
826	Y	26.5	Very low	26.9	Very low	156 Å²	156	146 Å²	146	61%	0.612	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-62.7	135	173.6	-73.3	-92.4	0	0	0	110.9	K390 A824 I828	K390-Y826 PolarHBondContact NZ-OH 3.34Å; K390-Y826 VanDerWaalsContact NZ-OH 3.14Å; A824-Y826 PolarHBondContact O-N 2.9Å; Y826-I828 PolarHBondContact O-N 3.16Å
827	P	27.6	Very low	26.9	Very low	105 Å²	105	148.8 Å²	148.8	68%	0.682	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.2	172.6	26.4	-29.7	0	0	0	109.9	Y829	P827-Y829 PolarHBondContact O-N 3.42Å
828	I	25.4	Very low	27	Very low	161 Å²	161	145.8 Å²	145.8	83%	0.826	79%	0.794	S	S	*	*			trans	-64.7	100	177.5	-61.2	167.4	0	0	0	108.3	Y826 Q830	Y826-I828 PolarHBondContact O-N 3.16Å; I828-Q830 PolarHBondContact O-N 3.16Å
829	Y	25.5	Very low	26.9	Very low	215 Å²	215	148 Å²	148	84%	0.843	80%	0.797	S	S	*	*			trans	-74.6	112.4	169.4	-93.4	-87.1	0	0	0	109.6	P827	P827-Y829 PolarHBondContact O-N 3.42Å
830	Q	25.3	Very low	26.8	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.804	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-62.4	131.5	173	-77.5	179.6	-16.3	0	0	110.7	I828 T832	I828-Q830 PolarHBondContact O-N 3.16Å; Q830-T832 PolarHBondContact O-N 3.31Å
831	P	26.8	Very low	26.7	Very low	128 Å²	128	149.6 Å²	149.6	83%	0.831	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.7	119.2	-179.3	27.3	-30.5	0	0	0	110.6	S833	P831-S833 PolarHBondContact O-N 2.95Å
832	T	27.5	Very low	26.6	Very low	130 Å²	130	146.2 Å²	146.2	80%	0.798	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70	125.3	171.2	40.4	0	0	0	0	110.1	Q830 K834	Q830-T832 PolarHBondContact O-N 3.31Å; T832-K834 PolarHBondContact O-N 3.04Å; T832-K834 VanDerWaalsContact O-N 3.1Å
833	S	27.3	Very low	26.5	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	80%	0.795	S	S	*	*			trans	-56.4	107.4	-178.2	58.9	0	0	0	0	111.8	P831	P831-S833 PolarHBondContact O-N 2.95Å
834	K	29.5	Very low	26.5	Very low	199 Å²	199	146.2 Å²	146.2	87%	0.865	80%	0.801	S	S	*	*			trans	-89.9	110.7	162.7	-73.8	-174.2	178.4	178.2	0	108.2	T832	T832-K834 PolarHBondContact O-N 3.04Å; T832-K834 VanDerWaalsContact O-N 3.1Å
835	Q	27.8	Very low	26.4	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.822	81%	0.805	S	S	*	*			trans	-53.7	144	170.9	-77.1	179	-26.8	0	0	110.7	L837	Q835-L837 PolarHBondContact O-N 3.43Å
836	P	27.1	Very low	26.5	Very low	127 Å²	127	147.5 Å²	147.5	83%	0.825	81%	0.805	S	S	*	*			trans	-72.9	117.8	-172.7	29.6	-33.5	0	0	0	110.5	S838	P836-S838 PolarHBondContact O-N 3.07Å
837	L	26	Very low	26.6	Very low	159 Å²	159	145 Å²	145	83%	0.832	81%	0.811	S	S	*	*			trans	-63.7	105.3	171	-82.3	151.2	0	0	0	109.4	Q835 F839	Q835-L837 PolarHBondContact O-N 3.43Å; L837-F839 PolarHBondContact O-N 3.41Å
838	S	25.9	Very low	26.6	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	82%	0.821	S	S	*	*			trans	-66.9	111.7	169.5	59.1	0	0	0	0	109.8	P836 K840	P836-S838 PolarHBondContact O-N 3.07Å; S838-K840 PolarHBondContact O-N 3.04Å; S838-K840 VanDerWaalsContact O-N 3.09Å
839	F	25.2	Very low	26.7	Very low	207 Å²	207	148.5 Å²	148.5	91%	0.908	82%	0.817	S	S	*	*			trans	-68.5	99.3	169.9	-79	-94.7	0	0	0	109.8	L837	L837-F839 PolarHBondContact O-N 3.41Å
840	K	25.7	Very low	26.8	Very low	196 Å²	196	147.2 Å²	147.2	85%	0.852	82%	0.819	S	S	*	*			trans	-94.8	114.8	157.7	-86.3	-174.2	176.1	-180	0	108.4	S838 G842	S838-K840 PolarHBondContact O-N 3.04Å; S838-K840 VanDerWaalsContact O-N 3.09Å; K840-G842 PolarHBondContact O-N 3.23Å; K840-G842 VanDerWaalsContact O-N 3.1Å
841	C	23.6	Very low	26.8	Very low	118 Å²	118	144.1 Å²	144.1	80%	0.797	82%	0.815	S	S	*	*			trans	-61.1	104.3	172.4	-170.2	0	0	0	0	108.8
842	G	25.6	Very low	26.8	Very low	63 Å²	63	143.3 Å²	143.3	65%	0.649	81%	0.813	S	S	*	*			trans	-86.6	110.7	173.4	0	0	0	0	0	109.6	K840 C844	K840-G842 PolarHBondContact O-N 3.23Å; K840-G842 VanDerWaalsContact O-N 3.1Å; G842-C844 PolarHBondContact O-N 2.91Å
843	F	26.4	Very low	26.9	Very low	198 Å²	198	144.9 Å²	144.9	87%	0.868	82%	0.815	S	S	*	*			trans	-58.8	112.4	164.7	-78.4	-91.6	0	0	0	108.6	T845	F843-T845 PolarHBondContact O-N 2.79Å
844	C	25.4	Very low	27	Very low	132 Å²	132	145.5 Å²	145.5	89%	0.892	81%	0.814	S	S	*	*			trans	-73.6	105.7	171.6	-73.9	0	0	0	0	108.7	G842	G842-C844 PolarHBondContact O-N 2.91Å
845	T	28.3	Very low	27.1	Very low	132 Å²	132	143.7 Å²	143.7	81%	0.81	81%	0.811	S	S	*	*			trans	-64.9	130.3	164.7	44.8	0	0	0	0	109.6	F843 S847	F843-T845 PolarHBondContact O-N 2.79Å; T845-S847 PolarHBondContact O-N 2.82Å
846	A	27.8	Very low	27.2	Very low	99 Å²	99	143.2 Å²	143.2	82%	0.818	81%	0.814	S	S	*	*			trans	-51.4	121.4	178.7	0	0	0	0	0	111.9
847	S	28.7	Very low	27.6	Very low	104 Å²	104	145 Å²	145	73%	0.727	81%	0.811	S	S	*	*			trans	-80.3	111.4	165.4	52.7	0	0	0	0	108.8	T845 I849	T845-S847 PolarHBondContact O-N 2.82Å; S847-I849 PolarHBondContact O-N 2.75Å; S847-I849 VanDerWaalsContact O-N 3.14Å
848	E	27.4	Very low	28	Very low	193 Å²	193	147.6 Å²	147.6	90%	0.902	83%	0.833	S	S	*	*			trans	-56.1	111.2	167.9	-74.3	176.6	145.3	0	0	109.6	Q850	E848-Q850 PolarHBondContact O-N 3Å
849	I	28.9	Very low	28.1	Very low	145 Å²	145	149.6 Å²	149.6	74%	0.744	84%	0.837	S	S	*	*			trans	-80.5	99.8	170.1	-63.7	172.5	0	0	0	106.4	S847 C851	S847-I849 PolarHBondContact O-N 2.75Å; S847-I849 VanDerWaalsContact O-N 3.14Å; I849-C851 PolarHBondContact O-N 3.28Å; I849-C851 VanDerWaalsContact O-N 3.13Å
850	Q	25.7	Very low	28.3	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	83%	0.833	S	S	*	*			trans	-72.6	98.4	175.8	-156.2	172.1	5.2	0	0	108.7	E848 S852	E848-Q850 PolarHBondContact O-N 3Å; Q850-S852 PolarHBondContact O-N 3.3Å; Q850-S852 VanDerWaalsContact O-N 3.14Å
851	C	25.4	Very low	28.4	Very low	107 Å²	107	143.8 Å²	143.8	72%	0.723	83%	0.832	S	S	*	*			trans	-67.2	104.8	174.2	-74	0	0	0	0	110.3	I849 L853	I849-C851 PolarHBondContact O-N 3.28Å; I849-C851 VanDerWaalsContact O-N 3.13Å; C851-L853 PolarHBondContact O-N 2.94Å; C851-L853 VanDerWaalsContact O-N 3.16Å
852	S	27.2	Very low	28.7	Very low	111 Å²	111	145.3 Å²	145.3	78%	0.776	83%	0.834	S	S	*	*			trans	-76	96.2	169.4	54.2	0	0	0	0	109.6	Q850 T854	Q850-S852 PolarHBondContact O-N 3.3Å; Q850-S852 VanDerWaalsContact O-N 3.14Å; S852-T854 PolarHBondContact O-N 3.08Å
853	L	30	Very low	28.9	Very low	162 Å²	162	150.4 Å²	150.4	85%	0.848	85%	0.845	S	S	*	*			trans	-71.4	107.1	165.5	-86.8	147.3	0	0	0	108.6	C851 M855	C851-L853 PolarHBondContact O-N 2.94Å; C851-L853 VanDerWaalsContact O-N 3.16Å; L853-M855 PolarHBondContact O-N 3.38Å
854	T	30.3	Very low	29.1	Very low	131 Å²	131	147.3 Å²	147.3	80%	0.804	84%	0.844	S	S	*	*			trans	-72.7	104.9	164.9	43.4	0	0	0	0	108.2	S852	S852-T854 PolarHBondContact O-N 3.08Å
855	M	31.5	Very low	29.3	Very low	160 Å²	160	148.4 Å²	148.4	79%	0.788	84%	0.84	S	S	*	*			trans	-75.8	118.2	169.5	-89.1	-164.6	164.5	0	0	109.5	L853 H857	L853-M855 PolarHBondContact O-N 3.38Å; M855-H857 PolarHBondContact O-N 3.33Å
856	D	29.9	Very low	29.4	Very low	166 Å²	166	149.6 Å²	149.6	89%	0.888	84%	0.843	S	S	*	*			trans	-65	110.5	163.3	-71.2	-36.9	0	0	0	108.7
857	H	34.3	Very low	29.6	Very low	166 Å²	166	153.8 Å²	153.8	77%	0.769	85%	0.845	S	S	*	*			trans	-92	132.4	167.7	-95.1	-74.6	0	0	0	109.4	M855	M855-H857 PolarHBondContact O-N 3.33Å
858	V	35.5	Very low	29.6	Very low	212 Å²	212	158.4 Å²	158.4	100%	1.285	86%	0.855	S	S	*	*			trans	-23.1	0	169.5	180	0	0	0	0	115.6

Retrieved 858 of 858 residues in 894.5 ms (Link to these results)

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