A0A077Z263_TRITR Loading...

Zinc finger protein ubi-d4 A

AlphaFold DB , UniProt , Accession A0A077Z263, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 799 aa.

						>A0A077Z263_TRITR|A0A077Z263
MSYMQSRMNLIYVPTVIWYFSFCSMAGAEFNYAELVESCSQYNHLITLDRQQRLPFLDAQTGIAQVPCNLWRSRRERRLSSDPDVVYTYPSRRWRKKKNPVPPAASANSVKSAEIAGDSRATQEGEPSRDCNDPNRPVVGETSTLLDREFREQFWYDDYGDVTGEDYEDPSDTDDYEELTKRKRKKKSATKTAKKPSTSNDNASERPFSSLPVSCLLHVHCTIEECYCCLHGFMDTVIVGAYTEPIFHSDCGMRYKTKPGLHYHMRHHHSEAVRGELSVSVDPSVLPGSTTTKVASAGAGIALSQHDVPYTSARRPGPSTSFRSDQNTTGGPVEVSSICDLCLGDVNENKKTNKPEQLISCSDCGRSGHPSCLQFTTNMVISTKKYGWQCIECKSCAVCGTSENDVSYLSFCIFLKSIFFTLFCIEQLLFCDDCDRGFHMYCLMPKLLAPPEESCLQEVDDSWELIFTGNSTLWLGASDCLPTTFVGSPVWTSWWDPSAWIVSNGTRPLLHSDMVPGKFDVAIFPPQAAYRVNISLSPSVGKLFFGAREQTNETIRQYLRAAESALQFTGTSISITHSECTLKSDCPNENSASDKMNEICNHVQCDKTARCTNSFKPVGHCCHFCGATFKFSCQNGNVNTLHMQRDAFESRYLCPDEAFHYAITKIYNSSYCQAVVAWQKMDGHFDASAALRCLRHIKERYELEDTTDLIVSSERAAVNYGKTMALPIACLLEHLIRFRLLWSDEHDDRVHFELTEPSDRKFENPTYLQMLQRENVESEELLMAAAEFYRIKGVDGENL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	29.5	Very low	245 Å²	245	139.9 Å²	139.9	100%	1.207	70%	0.696	S	S	*	*				0	86.1	0	-79.7	173.6	138.9	0	0	108.9
2	S	28.5	Very low	29.3	Very low	124 Å²	124	144 Å²	144	87%	0.867	70%	0.7	S	S	*	*			trans	-178.9	42.7	173.2	45	0	0	0	0	111.1
3	Y	24.5	Very low	29.2	Very low	221 Å²	221	140.8 Å²	140.8	87%	0.867	69%	0.694	S	S	*	*			trans	-94.5	141.3	164.1	-135	-101	0	0	0	107.2
4	M	28.9	Very low	29.3	Very low	114 Å²	114	137.4 Å²	137.4	56%	0.562	69%	0.687	S	S	*	*			trans	67.1	97.8	-173.2	-50.6	-165.8	-175.8	0	0	116.1	Q60	M4-Q60 HydrophobicContact CE-CB 4.01Å
5	Q	30.7	Very low	29.4	Very low	181 Å²	181	133.1 Å²	133.1	85%	0.846	67%	0.672	S	S	*	*			trans	-124	66.1	151.8	-129.1	175.1	15.4	0	0	109.9	R7	Q5-R7 PolarHBondContact O-N 3.41Å; Q5-R7 VanDerWaalsContact O-N 3.17Å
6	S	31.3	Very low	29.5	Very low	92 Å²	92	133.9 Å²	133.9	64%	0.643	69%	0.685	S	S	*	*			trans	-62.4	111	167.3	-177	0	0	0	0	109	M8	S6-M8 VanDerWaalsContact C-N 3.32Å; S6-M8 PolarHBondContact O-N 2.93Å
7	R	30.9	Very low	29.8	Very low	168 Å²	168	133.1 Å²	133.1	63%	0.634	68%	0.681	S	S	*	*			trans	-82.7	73.3	-179.4	-79.3	-171.1	169.8	-168.2	-2.2	111.4	Q5 N9 F414	Q5-R7 PolarHBondContact O-N 3.41Å; Q5-R7 VanDerWaalsContact O-N 3.17Å; R7-N9 PolarHBondContact O-N 3.47Å; R7-F414 WeakPolarHBondContact O-CE1 3.39Å; R7-F414 VanDerWaalsContact O-CZ 3.32Å; R7-F414 WeakPolarHBondContact O-CZ 3.27Å
8	M	27.2	Very low	29.8	Very low	96 Å²	96	138 Å²	138	47%	0.473	69%	0.69	S	S	.	*			trans	-65.4	76.4	154.2	-87.4	-170.8	161.7	0	0	109.6	S6 W71	S6-M8 VanDerWaalsContact C-N 3.32Å; S6-M8 PolarHBondContact O-N 2.93Å; M8-W71 HydrophobicContact CB-CZ2 4.12Å; M8-W71 WeakPolarHBondContact O-CZ2 3.35Å
9	N	29.8	Very low	29.9	Very low	102 Å²	102	142.8 Å²	142.8	55%	0.545	70%	0.701	S	S	.	*			trans	-80.2	120.7	172.2	-95.2	-22.6	0	0	0	109.6	R7	R7-N9 PolarHBondContact O-N 3.47Å
10	L	31.4	Very low	30	Very low	109 Å²	109	143.2 Å²	143.2	57%	0.571	70%	0.699	S	S	*	*			trans	-50	148.5	176.1	-91.5	73.7	0	0	0	112	Y12 W71 K416	L10-Y12 VanDerWaalsContact C-N 3.25Å; L10-Y12 PolarHBondContact O-N 3.35Å; L10-W71 HydrophobicContact CD1-CB 3.43Å; L10-W71 VanDerWaalsContact CD1-CB 3.43Å; L10-W71 HydrophobicContact CD1-CD2 4.23Å; L10-W71 HydrophobicContact CD1-CG 3.38Å; L10-K416 PolarHBondContact O-NZ 3.46Å
11	I	31.4	Very low	30.2	Very low	87 Å²	87	141.1 Å²	141.1	45%	0.446	70%	0.699	S	S	.	*			trans	-73.4	89.1	169.4	-63	151.5	0	0	0	106.7	V13	I11-V13 PolarHBondContact O-N 2.68Å
12	Y	26.8	Very low	30.4	Very low	189 Å²	189	138 Å²	138	74%	0.741	68%	0.679	S	S	*	*			trans	-50.8	118.3	143.3	-159.1	-89.8	0	0	0	105.8	L10 P14	L10-Y12 VanDerWaalsContact C-N 3.25Å; L10-Y12 PolarHBondContact O-N 3.35Å; Y12-P14 WeakPolarHBondContact O-CD 3.19Å
13	V	28.3	Very low	30.5	Very low	102 Å²	102	137.5 Å²	137.5	62%	0.618	67%	0.674	S	S	*	*			trans	-70.9	109.4	171.2	176.2	0	0	0	0	105.9	I11 T15	I11-V13 PolarHBondContact O-N 2.68Å; V13-T15 PolarHBondContact O-N 2.77Å
14	P	30.5	Very low	30.7	Very low	93 Å²	93	132.4 Å²	132.4	60%	0.604	67%	0.67	S	S	*	*			trans	-74.8	110.9	161	5.8	15.8	0	0	0	104.5	Y12 V16	Y12-P14 WeakPolarHBondContact O-CD 3.19Å; P14-V16 PolarHBondContact O-N 3.5Å
15	T	30.2	Very low	31.1	Very low	74 Å²	74	136.2 Å²	136.2	45%	0.454	69%	0.689	S	S	.	*			trans	-46.6	128	158.6	36	0	0	0	0	107.6	V13 I17 Y227	V13-T15 PolarHBondContact O-N 2.77Å; T15-I17 PolarHBondContact O-N 3.13Å; T15-Y227 HydrophobicContact CG2-CE2 4.16Å
16	V	30.6	Very low	31.2	Very low	145 Å²	145	132.7 Å²	132.7	88%	0.879	69%	0.691	S	S	*	*	S	Bend	trans	-73	78.1	-173.6	-178.4	0	0	0	0	108.7	P14	P14-V16 PolarHBondContact O-N 3.5Å
17	I	34.5	Very low	31.4	Very low	120 Å²	120	132.4 Å²	132.4	62%	0.615	70%	0.702	S	S	*	*			trans	-137.4	104.5	-171.1	-68.2	-175.1	0	0	0	106	T15	T15-I17 PolarHBondContact O-N 3.13Å
18	W	31.2	Very low	32	Very low	222 Å²	222	127.8 Å²	127.8	84%	0.841	70%	0.7	S	S	*	*			trans	74.3	89.9	161.8	-64.4	51.7	0	0	0	118.1
19	Y	30.7	Very low	32.7	Very low	230 Å²	230	133.1 Å²	133.1	90%	0.902	72%	0.724	S	S	*	*				-139.3	60.3	120.2	-107.8	-79.2	0	0	0	110.1	S21	Y19-S21 PolarHBondContact O-N 3.44Å
20	F	32.6	Very low	34.1	Very low	150 Å²	150	135.6 Å²	135.6	66%	0.658	73%	0.73	S	S	*	*			trans	-69.9	76	159.4	-91.6	-75.3	0	0	0	108.6	F22	F20-F22 HydrophobicContact CB-CD2 4.37Å; F20-F22 AromaticContact CD1-CD2 3.69Å; F20-F22 HydrophobicContact CD1-CD2 3.69Å; F20-F22 AromaticContact CD1-CE2 3.77Å; F20-F22 HydrophobicContact CD1-CE2 3.77Å; F20-F22 HydrophobicContact CE1-CD2 4.43Å; F20-F22 HydrophobicContact CE1-CE2 4.05Å; F20-F22 HydrophobicContact CG-CD2 4.4Å; F20-F22 PolarHBondContact O-N 3.43Å
21	S	34.7	Very low	36.3	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	72%	0.724	S	S	*	*			trans	-75	72.3	163.2	-173.2	0	0	0	0	108.3	Y19 C23	Y19-S21 PolarHBondContact O-N 3.44Å; S21-C23 VanDerWaalsContact C-N 3.33Å; S21-C23 PolarHBondContact O-N 3.36Å
22	F	33.4	Very low	38.2	Very low	180 Å²	180	137.7 Å²	137.7	79%	0.789	73%	0.732	S	S	*	*			trans	-62.1	92.5	173	-119.3	-85.9	0	0	0	108.7	F20	F20-F22 HydrophobicContact CB-CD2 4.37Å; F20-F22 AromaticContact CD1-CD2 3.69Å; F20-F22 HydrophobicContact CD1-CD2 3.69Å; F20-F22 AromaticContact CD1-CE2 3.77Å; F20-F22 HydrophobicContact CD1-CE2 3.77Å; F20-F22 HydrophobicContact CE1-CD2 4.43Å; F20-F22 HydrophobicContact CE1-CE2 4.05Å; F20-F22 HydrophobicContact CG-CD2 4.4Å; F20-F22 PolarHBondContact O-N 3.43Å
23	C	29.7	Very low	40.6	Very low	113 Å²	113	131.4 Å²	131.4	76%	0.764	72%	0.719	S	S	*	*			trans	-148.2	89.4	166.5	-146.4	0	0	0	0	112	S21	S21-C23 VanDerWaalsContact C-N 3.33Å; S21-C23 PolarHBondContact O-N 3.36Å
24	S	29.8	Very low	42.9	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	71%	0.714	S	S	*	*			trans	69.7	56.7	145.4	-162.7	0	0	0	0	119.3
25	M	36.7	Very low	45.2	Very low	195 Å²	195	131.6 Å²	131.6	96%	0.961	71%	0.708	S	S	*	*			trans	-112.2	112.8	136.3	-67.4	-155.8	81	0	0	108.9
26	A	32.3	Very low	47.5	Very low	107 Å²	107	131.6 Å²	131.6	88%	0.884	71%	0.707	S	S	*	*			trans	-84	137	-179.2	0	0	0	0	0	110.5
27	G	35.5	Very low	49.8	Very low	85 Å²	85	130.2 Å²	130.2	88%	0.876	69%	0.691	S	S	*	*	S	Bend	trans	151.5	-27.5	158.2	0	0	0	0	0	118.4
28	A	44.3	Very low	51.9	Low	71 Å²	71	127.9 Å²	127.9	59%	0.587	69%	0.685	S	S	*	*			trans	-123.7	111.5	-169.5	0	0	0	0	0	113.5	F30	A28-F30 VanDerWaalsContact C-N 3.32Å; A28-F30 HydrophobicContact CB-CD2 3.72Å; A28-F30 HydrophobicContact CB-CE2 3.52Å; A28-F30 HydrophobicContact CB-CZ 4.44Å; A28-F30 PolarHBondContact O-N 3.28Å
29	E	42.9	Very low	54.1	Low	208 Å²	208	120.5 Å²	120.5	97%	0.972	67%	0.667	S	S	*	*			trans	-73.7	83.8	164.4	-67.8	-176.3	153.5	0	0	109.4
30	F	59	Low	56.2	Low	155 Å²	155	113.2 Å²	113.2	68%	0.68	65%	0.65	S	S	*	*			trans	-73.3	129.5	169.6	-80.3	-81.5	0	0	0	110.5	A28 Y32 L35	A28-F30 VanDerWaalsContact C-N 3.32Å; A28-F30 HydrophobicContact CB-CD2 3.72Å; A28-F30 HydrophobicContact CB-CE2 3.52Å; A28-F30 HydrophobicContact CB-CZ 4.44Å; A28-F30 PolarHBondContact O-N 3.28Å; F30-Y32 PolarHBondContact O-N 3.32Å; F30-L35 HydrophobicContact CB-CD1 4.32Å
31	N	77.6	Confident	58.2	Low	81 Å²	81	111.3 Å²	111.3	43%	0.433	64%	0.643	S	S	.	*			trans	-71.5	119.6	178.5	-176.3	4.9	0	0	0	110.3	A33 E34 L35	N31-A33 PolarHBondContact O-N 3.2Å; N31-A33 VanDerWaalsContact O-N 3.16Å; N31-A33 PolarHBondContact OD1-N 3.02Å; N31-E34 HydrophobicContact CB-CG 4.18Å; N31-E34 VanDerWaalsContact CB-OE1 3.32Å; N31-E34 WeakPolarHBondContact CB-OE1 3.39Å; N31-E34 PolarHBondContact ND2-OE1 3.04Å; N31-E34 PolarHBondContact O-N 3.17Å; N31-E34 VanDerWaalsContact O-N 3.16Å; N31-L35 PolarHBondContact O-N 3.22Å
32	Y	70.4	Confident	60	Low	158 Å²	158	108.1 Å²	108.1	62%	0.62	62%	0.616	S	S	*	*	H	α-helix	trans	-59	-30.3	-177.3	-177.7	-101.5	0	0	0	112.8	F30 L35 V36	F30-Y32 PolarHBondContact O-N 3.32Å; Y32-L35 PolarHBondContact O-N 3.37Å; Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CE1-CG2 3.59Å; Y32-V36 HydrophobicContact CE2-CG2 4.33Å; Y32-V36 WeakPolarHBondContact O-CG2 3.17Å; Y32-V36 PolarHBondContact O-N 2.74Å; Y32-V36 VanDerWaalsContact O-N 3.09Å
33	A	77.9	Confident	61.9	Low	57 Å²	57	103.8 Å²	103.8	47%	0.471	60%	0.601	S	S	.	*	H	α-helix	trans	-61.4	-46.4	176.8	0	0	0	0	0	112.3	N31 L35 V36 E37	N31-A33 PolarHBondContact O-N 3.2Å; N31-A33 VanDerWaalsContact O-N 3.16Å; N31-A33 PolarHBondContact OD1-N 3.02Å; A33-L35 VanDerWaalsContact C-N 3.31Å; A33-L35 PolarHBondContact O-N 3.47Å; A33-V36 PolarHBondContact O-N 3.28Å; A33-E37 WeakPolarHBondContact O-CB 3.42Å; A33-E37 PolarHBondContact O-N 3.02Å
34	E	77.4	Confident	63.9	Low	112 Å²	112	102.4 Å²	102.4	52%	0.523	58%	0.583	S	S	.	*	H	α-helix	trans	-63.9	-36.4	179.6	-69	161	-145.8	0	0	111.7	N31 S38	N31-E34 HydrophobicContact CB-CG 4.18Å; N31-E34 VanDerWaalsContact CB-OE1 3.32Å; N31-E34 WeakPolarHBondContact CB-OE1 3.39Å; N31-E34 PolarHBondContact ND2-OE1 3.04Å; N31-E34 PolarHBondContact O-N 3.17Å; N31-E34 VanDerWaalsContact O-N 3.16Å; E34-S38 WeakPolarHBondContact O-CB 3.36Å; E34-S38 PolarHBondContact O-N 3.13Å
35	L	76.8	Confident	66.2	Low	88 Å²	88	102.1 Å²	102.1	46%	0.461	57%	0.572	S	S	.	*	H	α-helix	trans	-66.8	-41.9	175.3	-67.3	174.6	0	0	0	112.1	F30 N31 Y32 A33 C39	F30-L35 HydrophobicContact CB-CD1 4.32Å; N31-L35 PolarHBondContact O-N 3.22Å; Y32-L35 PolarHBondContact O-N 3.37Å; A33-L35 VanDerWaalsContact C-N 3.31Å; A33-L35 PolarHBondContact O-N 3.47Å; L35-C39 WeakPolarHBondContact O-CB 3.35Å; L35-C39 PolarHBondContact O-N 3.29Å; L35-C39 PolarHBondContact O-SG 2.91Å
36	V	79.2	Confident	67.9	Low	74 Å²	74	95 Å²	95	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-42.1	176	172.2	0	0	0	0	111.2	Y32 A33 C39 S40	Y32-V36 HydrophobicContact CD1-CG2 4.02Å; Y32-V36 HydrophobicContact CE1-CG2 3.59Å; Y32-V36 HydrophobicContact CE2-CG2 4.33Å; Y32-V36 WeakPolarHBondContact O-CG2 3.17Å; Y32-V36 PolarHBondContact O-N 2.74Å; Y32-V36 VanDerWaalsContact O-N 3.09Å; A33-V36 PolarHBondContact O-N 3.28Å; V36-C39 PolarHBondContact O-N 3.3Å; V36-S40 PolarHBondContact O-N 2.86Å
37	E	79.7	Confident	69.9	Low	116 Å²	116	93.2 Å²	93.2	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-46.6	177.3	-165.5	-175.9	162.4	0	0	111.6	A33 C39 S40 Q41	A33-E37 WeakPolarHBondContact O-CB 3.42Å; A33-E37 PolarHBondContact O-N 3.02Å; E37-C39 VanDerWaalsContact C-N 3.3Å; E37-C39 PolarHBondContact O-N 3.2Å; E37-S40 WeakPolarHBondContact O-CA 3.1Å; E37-S40 VanDerWaalsContact O-CB 3.32Å; E37-S40 WeakPolarHBondContact O-CB 3.49Å; E37-S40 PolarHBondContact O-N 3.31Å; E37-Q41 WeakPolarHBondContact O-CG 3.48Å; E37-Q41 PolarHBondContact O-N 3.04Å; E37-Q41 PolarHBondContact OE1-NE2 3.37Å
38	S	77.6	Confident	71.9	Confident	70 Å²	70	91.6 Å²	91.6	49%	0.49	49%	0.486	S	S	.	.	H	α-helix	trans	-57.4	-41.6	173.7	-179.7	0	0	0	0	112.3	E34 S40 Y42	E34-S38 WeakPolarHBondContact O-CB 3.36Å; E34-S38 PolarHBondContact O-N 3.13Å; S38-S40 PolarHBondContact O-N 3.18Å; S38-Y42 WeakPolarHBondContact O-CB 3.17Å; S38-Y42 PolarHBondContact O-N 3.36Å
39	C	76.9	Confident	73.3	Confident	68 Å²	68	91 Å²	91	46%	0.459	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-37.1	173.5	-71.3	0	0	0	0	112.8	L35 V36 E37 N43	L35-C39 WeakPolarHBondContact O-CB 3.35Å; L35-C39 PolarHBondContact O-N 3.29Å; L35-C39 PolarHBondContact O-SG 2.91Å; V36-C39 PolarHBondContact O-N 3.3Å; E37-C39 VanDerWaalsContact C-N 3.3Å; E37-C39 PolarHBondContact O-N 3.2Å; C39-N43 WeakPolarHBondContact O-CB 3.21Å; C39-N43 PolarHBondContact O-N 3.33Å; C39-N43 PolarHBondContact O-ND2 3.48Å; C39-N43 VanDerWaalsContact O-ND2 3.08Å
40	S	75.5	Confident	74.8	Confident	77 Å²	77	87 Å²	87	54%	0.538	45%	0.449	S	S	.	.	H	α-helix	trans	-65.4	-50.9	175.8	-168.9	0	0	0	0	111.6	V36 E37 S38 Y42 N43 H44	V36-S40 PolarHBondContact O-N 2.86Å; E37-S40 WeakPolarHBondContact O-CA 3.1Å; E37-S40 VanDerWaalsContact O-CB 3.32Å; E37-S40 WeakPolarHBondContact O-CB 3.49Å; E37-S40 PolarHBondContact O-N 3.31Å; S38-S40 PolarHBondContact O-N 3.18Å; S40-Y42 VanDerWaalsContact C-N 3.31Å; S40-Y42 PolarHBondContact O-N 3.11Å; S40-N43 PolarHBondContact O-N 3.36Å; S40-H44 PolarHBondContact O-N 2.93Å
41	Q	74.8	Confident	75.8	Confident	110 Å²	110	85.4 Å²	85.4	51%	0.514	44%	0.444	S	S	.	.	H	α-helix	trans	-57	-43.5	176.6	-67.2	176	11.2	0	0	111.3	E37 H44 L45	E37-Q41 WeakPolarHBondContact O-CG 3.48Å; E37-Q41 PolarHBondContact O-N 3.04Å; E37-Q41 PolarHBondContact OE1-NE2 3.37Å; Q41-H44 WeakPolarHBondContact O-CB 3.37Å; Q41-H44 PolarHBondContact O-N 3.41Å; Q41-L45 WeakPolarHBondContact O-CG 3.38Å; Q41-L45 PolarHBondContact O-N 2.79Å
42	Y	73.3	Confident	75.9	Confident	33 Å²	33	87.4 Å²	87.4	13%	0.129	45%	0.451	C	S	.	.	H	α-helix	trans	-66.1	-42.2	176.4	-178.2	-83.7	0	0	0	113.2	S38 S40 H44 L45 I46 I418 T421 L422	S38-Y42 WeakPolarHBondContact O-CB 3.17Å; S38-Y42 PolarHBondContact O-N 3.36Å; S40-Y42 VanDerWaalsContact C-N 3.31Å; S40-Y42 PolarHBondContact O-N 3.11Å; Y42-H44 VanDerWaalsContact C-N 3.27Å; Y42-H44 PolarHBondContact O-N 3.13Å; Y42-L45 PolarHBondContact O-N 2.76Å; Y42-I46 HydrophobicContact CD1-CD1 4.39Å; Y42-I46 HydrophobicContact CD1-CG1 4.35Å; Y42-I46 HydrophobicContact CE1-CD1 3.34Å; Y42-I46 HydrophobicContact CE1-CG1 3.58Å; Y42-I46 PolarHBondContact O-N 3.38Å; Y42-I46 WeakPolarHBondContact OH-CD1 3.33Å; Y42-I418 HydrophobicContact CD1-CB 4.35Å; Y42-I418 HydrophobicContact CD1-CD1 3.57Å; Y42-I418 HydrophobicContact CD1-CG1 3.91Å; Y42-I418 HydrophobicContact CD1-CG2 3.7Å; Y42-I418 HydrophobicContact CD2-CG2 3.84Å; Y42-I418 HydrophobicContact CE1-CB 3.85Å; Y42-I418 HydrophobicContact CE1-CD1 3.53Å; Y42-I418 HydrophobicContact CE1-CG1 3.35Å; Y42-I418 HydrophobicContact CE1-CG2 3.58Å; Y42-I418 HydrophobicContact CE2-CG2 3.69Å; Y42-I418 HydrophobicContact CG-CG2 3.82Å; Y42-T421 PolarHBondContact OH-OG1 2.89Å; Y42-L422 HydrophobicContact CD2-CD1 3.83Å; Y42-L422 HydrophobicContact CE2-CD1 3.78Å; Y42-L422 HydrophobicContact CE2-CG 4.18Å
43	N	73.2	Confident	76.4	Confident	88 Å²	88	84.6 Å²	84.6	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-61.7	-36.5	176.5	-77.6	-32.3	0	0	0	111.9	C39 S40 T47	C39-N43 WeakPolarHBondContact O-CB 3.21Å; C39-N43 PolarHBondContact O-N 3.33Å; C39-N43 PolarHBondContact O-ND2 3.48Å; C39-N43 VanDerWaalsContact O-ND2 3.08Å; S40-N43 PolarHBondContact O-N 3.36Å; N43-T47 PolarHBondContact O-N 2.8Å; N43-T47 PolarHBondContact O-OG1 3.34Å
44	H	70.8	Confident	76.5	Confident	84 Å²	84	85 Å²	85	39%	0.389	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-48.6	172.6	-174.5	-104.7	0	0	0	111.4	S40 Q41 Y42 I46 T47 L48	S40-H44 PolarHBondContact O-N 2.93Å; Q41-H44 WeakPolarHBondContact O-CB 3.37Å; Q41-H44 PolarHBondContact O-N 3.41Å; Y42-H44 VanDerWaalsContact C-N 3.27Å; Y42-H44 PolarHBondContact O-N 3.13Å; H44-I46 PolarHBondContact O-N 3.15Å; H44-T47 WeakPolarHBondContact O-CB 3.39Å; H44-T47 PolarHBondContact O-N 3.22Å; H44-L48 PolarHBondContact O-N 2.87Å
45	L	77.8	Confident	76.8	Confident	108 Å²	108	82.4 Å²	82.4	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-60	-43.7	178	-70.4	171.1	0	0	0	113.2	Q41 Y42 T47 L48 D49	Q41-L45 WeakPolarHBondContact O-CG 3.38Å; Q41-L45 PolarHBondContact O-N 2.79Å; Y42-L45 PolarHBondContact O-N 2.76Å; L45-T47 PolarHBondContact O-N 3.22Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-D49 WeakPolarHBondContact O-CB 3.47Å; L45-D49 PolarHBondContact O-N 2.87Å
46	I	73.6	Confident	76.9	Confident	44 Å²	44	83.2 Å²	83.2	23%	0.226	43%	0.426	C	S	.	.	H	α-helix	trans	-59.9	-37.5	173.3	-86.9	-161.3	0	0	0	111.8	Y42 H44 R50	Y42-I46 HydrophobicContact CD1-CD1 4.39Å; Y42-I46 HydrophobicContact CD1-CG1 4.35Å; Y42-I46 HydrophobicContact CE1-CD1 3.34Å; Y42-I46 HydrophobicContact CE1-CG1 3.58Å; Y42-I46 PolarHBondContact O-N 3.38Å; Y42-I46 WeakPolarHBondContact OH-CD1 3.33Å; H44-I46 PolarHBondContact O-N 3.15Å; I46-R50 VanDerWaalsContact CG2-CZ 3.46Å; I46-R50 WeakPolarHBondContact O-CB 3.33Å; I46-R50 VanDerWaalsContact O-CG 3.27Å; I46-R50 WeakPolarHBondContact O-CG 3.5Å; I46-R50 PolarHBondContact O-N 3.47Å
47	T	74	Confident	77.2	Confident	71 Å²	71	85.9 Å²	85.9	44%	0.436	44%	0.437	S	S	.	.	H	α-helix	trans	-69.6	-41.7	-177.3	-57.8	0	0	0	0	110.7	N43 H44 L45 R50 Q51	N43-T47 PolarHBondContact O-N 2.8Å; N43-T47 PolarHBondContact O-OG1 3.34Å; H44-T47 WeakPolarHBondContact O-CB 3.39Å; H44-T47 PolarHBondContact O-N 3.22Å; L45-T47 PolarHBondContact O-N 3.22Å; T47-R50 PolarHBondContact O-N 3.13Å; T47-Q51 WeakPolarHBondContact O-CG 3.49Å; T47-Q51 PolarHBondContact O-N 3.2Å; T47-Q51 VanDerWaalsContact O-N 3.09Å
48	L	77.4	Confident	77.4	Confident	50 Å²	50	81.8 Å²	81.8	26%	0.262	42%	0.419	S	S	.	.	H	α-helix	trans	-64.1	-48.4	172.9	-70	175.9	0	0	0	112.6	H44 L45 R50 Q51 Q52	H44-L48 PolarHBondContact O-N 2.87Å; L45-L48 PolarHBondContact O-N 3.45Å; L48-R50 VanDerWaalsContact C-N 3.25Å; L48-R50 PolarHBondContact O-N 3.45Å; L48-Q51 PolarHBondContact O-N 3.17Å; L48-Q52 WeakPolarHBondContact O-CG 3.49Å; L48-Q52 PolarHBondContact O-N 3.4Å
49	D	73	Confident	77.6	Confident	58 Å²	58	83.4 Å²	83.4	31%	0.31	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-36.7	178.2	178.1	69.6	0	0	0	111.7	L45 Q52 R53	L45-D49 WeakPolarHBondContact O-CB 3.47Å; L45-D49 PolarHBondContact O-N 2.87Å; D49-Q52 PolarHBondContact O-N 2.66Å; D49-R53 VanDerWaalsContact CG-NH2 3.28Å; D49-R53 VanDerWaalsContact O-CG 3.27Å; D49-R53 WeakPolarHBondContact O-CG 3.48Å; D49-R53 PolarHBondContact O-N 3.32Å; D49-R53 VanDerWaalsContact O-N 3.16Å; D49-R53 IonicContact OD1-CZ 2.72Å; D49-R53 VanDerWaalsContact OD1-CZ 3.24Å; D49-R53 IonicContact OD1-NE 3.24Å; D49-R53 PolarHBondContact OD1-NE 3.27Å; D49-R53 IonicContact OD1-NH2 3.86Å; D49-R53 PolarHBondContact OD1-NH2 3.01Å; D49-R53 IonicContact OD2-CZ 3.96Å; D49-R53 VanDerWaalsContact OD2-CZ 3.3Å; D49-R53 IonicContact OD2-NE 2.62Å; D49-R53 PolarHBondContact OD2-NE 3.13Å; D49-R53 IonicContact OD2-NH2 3Å; D49-R53 PolarHBondContact OD2-NH2 3.49Å
50	R	75.8	Confident	77.8	Confident	124 Å²	124	87.3 Å²	87.3	47%	0.468	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-40.3	172.9	-77.2	176	-177.1	164	10.6	113.3	I46 T47 L48 L54	I46-R50 VanDerWaalsContact CG2-CZ 3.46Å; I46-R50 WeakPolarHBondContact O-CB 3.33Å; I46-R50 VanDerWaalsContact O-CG 3.27Å; I46-R50 WeakPolarHBondContact O-CG 3.5Å; I46-R50 PolarHBondContact O-N 3.47Å; T47-R50 PolarHBondContact O-N 3.13Å; L48-R50 VanDerWaalsContact C-N 3.25Å; L48-R50 PolarHBondContact O-N 3.45Å; R50-L54 WeakPolarHBondContact O-CG 3.37Å
51	Q	80.1	Confident	78.4	Confident	122 Å²	122	86.7 Å²	86.7	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-65.6	-42.7	176.4	-72.4	171.3	-3.1	0	0	110.9	T47 L48 R53 L54	T47-Q51 WeakPolarHBondContact O-CG 3.49Å; T47-Q51 PolarHBondContact O-N 3.2Å; T47-Q51 VanDerWaalsContact O-N 3.09Å; L48-Q51 PolarHBondContact O-N 3.17Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.22Å; Q51-L54 PolarHBondContact O-N 3.02Å
52	Q	79.9	Confident	78.8	Confident	124 Å²	124	84.6 Å²	84.6	58%	0.579	45%	0.449	S	S	*	.	H	α-helix	trans	-67.4	-24.5	179.9	-69.3	177.7	5.9	0	0	114	L48 D49	L48-Q52 WeakPolarHBondContact O-CG 3.49Å; L48-Q52 PolarHBondContact O-N 3.4Å; D49-Q52 PolarHBondContact O-N 2.66Å
53	R	79.9	Confident	79.3	Confident	99 Å²	99	87.8 Å²	87.8	37%	0.374	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.6	176.3	-70.4	176.4	-159.7	-95.4	-4.4	114.6	D49 Q51 P55 F56	D49-R53 VanDerWaalsContact CG-NH2 3.28Å; D49-R53 VanDerWaalsContact O-CG 3.27Å; D49-R53 WeakPolarHBondContact O-CG 3.48Å; D49-R53 PolarHBondContact O-N 3.32Å; D49-R53 VanDerWaalsContact O-N 3.16Å; D49-R53 IonicContact OD1-CZ 2.72Å; D49-R53 VanDerWaalsContact OD1-CZ 3.24Å; D49-R53 IonicContact OD1-NE 3.24Å; D49-R53 PolarHBondContact OD1-NE 3.27Å; D49-R53 IonicContact OD1-NH2 3.86Å; D49-R53 PolarHBondContact OD1-NH2 3.01Å; D49-R53 IonicContact OD2-CZ 3.96Å; D49-R53 VanDerWaalsContact OD2-CZ 3.3Å; D49-R53 IonicContact OD2-NE 2.62Å; D49-R53 PolarHBondContact OD2-NE 3.13Å; D49-R53 IonicContact OD2-NH2 3Å; D49-R53 PolarHBondContact OD2-NH2 3.49Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.22Å; R53-P55 CarbonylContact O-C 3.41Å; R53-F56 PolarHBondContact O-N 3.38Å
54	L	79.8	Confident	80.1	Confident	65 Å²	65	85.6 Å²	85.6	34%	0.34	46%	0.461	S	S	.	.			trans	-93.9	136.9	-179.5	-73.4	172.3	0	0	0	111.3	R50 Q51 P67	R50-L54 WeakPolarHBondContact O-CG 3.37Å; Q51-L54 PolarHBondContact O-N 3.02Å; L54-P67 HydrophobicContact CD1-CG 3.77Å; L54-P67 HydrophobicContact CD2-CG 4.48Å
55	P	84.3	Confident	80.8	Confident	58 Å²	58	84.4 Å²	84.4	38%	0.377	46%	0.456	S	S	.	.	S	Bend	cis	-79.5	140.5	-1.7	33.7	-35.7	0	0	0	112.9	R53 L57 A64 Q65 V66	R53-P55 CarbonylContact O-C 3.41Å; P55-L57 PolarHBondContact O-N 3.05Å; P55-A64 HydrophobicContact CB-CB 3.95Å; P55-A64 HydrophobicContact CG-CB 4.14Å; P55-Q65 CarbonylContact C-O 3.58Å; P55-Q65 WeakPolarHBondContact CA-O 3.4Å; P55-V66 HydrophobicContact CB-CG1 3.83Å
56	F	79.2	Confident	81.1	Confident	104 Å²	104	82.5 Å²	82.5	46%	0.456	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.6	178.7	172	-99.1	0	0	0	110.9	R53 D58 A64 Q65	R53-F56 PolarHBondContact O-N 3.38Å; F56-D58 HydrophobicContact CD1-CB 4.46Å; F56-D58 HydrophobicContact CE1-CB 4.09Å; F56-D58 PolarHBondContact O-N 3.23Å; F56-A64 CarbonylContact O-C 3.13Å; F56-Q65 HydrophobicContact CB-CB 4.45Å; F56-Q65 HydrophobicContact CD1-CB 4.37Å; F56-Q65 HydrophobicContact CD1-CG 4.45Å; F56-Q65 PolarHBondContact N-O 3.35Å; F56-Q65 PolarHBondContact O-N 3.24Å
57	L	84.8	Confident	81.5	Confident	130 Å²	130	85 Å²	85	68%	0.681	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	104.1	177.8	-74	159.2	0	0	0	111.1	P55 A59 A64	P55-L57 PolarHBondContact O-N 3.05Å; L57-A59 PolarHBondContact O-N 2.94Å; L57-A64 HydrophobicContact CD2-CB 3.94Å
58	D	83	Confident	81.8	Confident	30 Å²	30	84.4 Å²	84.4	16%	0.16	47%	0.466	C	S	.	.			trans	-76.7	109.6	173.1	172.4	5.1	0	0	0	110.6	F56 Q60 T61 G62 I63 Q65	F56-D58 HydrophobicContact CD1-CB 4.46Å; F56-D58 HydrophobicContact CE1-CB 4.09Å; F56-D58 PolarHBondContact O-N 3.23Å; D58-Q60 PolarHBondContact O-N 3.09Å; D58-Q60 PolarHBondContact OD1-N 3.43Å; D58-T61 WeakPolarHBondContact CB-OG1 3.44Å; D58-T61 PolarHBondContact O-N 3.17Å; D58-T61 WeakPolarHBondContact OD2-CB 3.32Å; D58-T61 VanDerWaalsContact OD2-CG2 3.24Å; D58-T61 WeakPolarHBondContact OD2-CG2 3.45Å; D58-T61 PolarHBondContact OD2-OG1 3.48Å; D58-G62 WeakPolarHBondContact O-CA 3.47Å; D58-G62 PolarHBondContact O-N 3.26Å; D58-I63 PolarHBondContact N-O 2.89Å; D58-Q65 HydrophobicContact CB-CG 4.25Å; D58-Q65 PolarHBondContact OD2-NE2 3.06Å; D58-Q65 VanDerWaalsContact OD2-NE2 3.11Å
59	A	82.2	Confident	82	Confident	104 Å²	104	85.9 Å²	85.9	86%	0.86	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.9	-176.9	0	0	0	0	0	114.8	L57	L57-A59 PolarHBondContact O-N 2.94Å
60	Q	81.8	Confident	82.5	Confident	150 Å²	150	90 Å²	90	70%	0.701	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-29.4	-180	-67.2	-174.8	-9.4	0	0	112.9	M4 D58	M4-Q60 HydrophobicContact CE-CB 4.01Å; D58-Q60 PolarHBondContact O-N 3.09Å; D58-Q60 PolarHBondContact OD1-N 3.43Å
61	T	87	Confident	82.8	Confident	65 Å²	65	89.8 Å²	89.8	40%	0.399	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-16.6	-179.6	63.1	0	0	0	0	113.8	D58 I63	D58-T61 WeakPolarHBondContact CB-OG1 3.44Å; D58-T61 PolarHBondContact O-N 3.17Å; D58-T61 WeakPolarHBondContact OD2-CB 3.32Å; D58-T61 VanDerWaalsContact OD2-CG2 3.24Å; D58-T61 WeakPolarHBondContact OD2-CG2 3.45Å; D58-T61 PolarHBondContact OD2-OG1 3.48Å; T61-I63 PolarHBondContact O-N 3.26Å; T61-I63 WeakPolarHBondContact OG1-CB 3.48Å; T61-I63 PolarHBondContact OG1-N 3.43Å
62	G	83.7	Confident	83.1	Confident	66 Å²	66	87.8 Å²	87.8	68%	0.68	48%	0.481	S	S	*	.			trans	69.7	8.3	-171.4	0	0	0	0	0	113.7	D58	D58-G62 WeakPolarHBondContact O-CA 3.47Å; D58-G62 PolarHBondContact O-N 3.26Å
63	I	85	Confident	83.1	Confident	100 Å²	100	84.3 Å²	84.3	51%	0.513	47%	0.471	S	S	.	.			trans	-87.1	125.1	-177.1	-60.2	173.5	0	0	0	109.3	D58 T61 Q65	D58-I63 PolarHBondContact N-O 2.89Å; T61-I63 PolarHBondContact O-N 3.26Å; T61-I63 WeakPolarHBondContact OG1-CB 3.48Å; T61-I63 PolarHBondContact OG1-N 3.43Å; I63-Q65 HydrophobicContact CB-CG 4.5Å; I63-Q65 HydrophobicContact CG2-CG 4.14Å; I63-Q65 PolarHBondContact O-N 3.38Å; I63-Q65 VanDerWaalsContact O-N 3.12Å
64	A	88.5	Confident	83.4	Confident	41 Å²	41	89.7 Å²	89.7	34%	0.339	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	92.5	166.2	0	0	0	0	0	108.9	P55 F56 L57	P55-A64 HydrophobicContact CB-CB 3.95Å; P55-A64 HydrophobicContact CG-CB 4.14Å; F56-A64 CarbonylContact O-C 3.13Å; L57-A64 HydrophobicContact CD2-CB 3.94Å
65	Q	85.6	Confident	83.8	Confident	59 Å²	59	97.9 Å²	97.9	28%	0.276	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.6	-174.7	-57.4	-171.4	5.9	0	0	111.9	P55 F56 D58 I63	P55-Q65 CarbonylContact C-O 3.58Å; P55-Q65 WeakPolarHBondContact CA-O 3.4Å; F56-Q65 HydrophobicContact CB-CB 4.45Å; F56-Q65 HydrophobicContact CD1-CB 4.37Å; F56-Q65 HydrophobicContact CD1-CG 4.45Å; F56-Q65 PolarHBondContact N-O 3.35Å; F56-Q65 PolarHBondContact O-N 3.24Å; D58-Q65 HydrophobicContact CB-CG 4.25Å; D58-Q65 PolarHBondContact OD2-NE2 3.06Å; D58-Q65 VanDerWaalsContact OD2-NE2 3.11Å; I63-Q65 HydrophobicContact CB-CG 4.5Å; I63-Q65 HydrophobicContact CG2-CG 4.14Å; I63-Q65 PolarHBondContact O-N 3.38Å; I63-Q65 VanDerWaalsContact O-N 3.12Å
66	V	83.7	Confident	83.9	Confident	69 Å²	69	97.9 Å²	97.9	42%	0.418	51%	0.513	S	S	.	.			trans	-128	163.8	175	-65.8	0	0	0	0	109.4	P55 C68 Y159	P55-V66 HydrophobicContact CB-CG1 3.83Å; V66-C68 PolarHBondContact O-N 3.01Å; V66-C68 VanDerWaalsContact O-N 3.09Å; V66-Y159 WeakPolarHBondContact CG1-OH 3.15Å
67	P	83	Confident	84.4	Confident	96 Å²	96	97.8 Å²	97.8	62%	0.623	51%	0.509	S	S	*	.			trans	-52.5	118	-178.9	-28.6	37	0	0	0	112.5	L54	L54-P67 HydrophobicContact CD1-CG 3.77Å; L54-P67 HydrophobicContact CD2-CG 4.48Å
68	C	81	Confident	84.5	Confident	58 Å²	58	98.7 Å²	98.7	39%	0.392	50%	0.504	S	S	.	.			trans	-112.7	141.5	-169.7	73.5	0	0	0	0	112.7	V66 L70	V66-C68 PolarHBondContact O-N 3.01Å; V66-C68 VanDerWaalsContact O-N 3.09Å; C68-L70 VanDerWaalsContact C-N 3.28Å; C68-L70 HydrophobicContact CB-CD1 4.34Å; C68-L70 HydrophobicContact CB-CG 4.21Å; C68-L70 PolarHBondContact O-N 3.24Å
69	N	81.3	Confident	84.7	Confident	82 Å²	82	104.1 Å²	104.1	44%	0.439	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	35.5	179.1	-64.5	9.2	0	0	0	111.8	R72	N69-R72 PolarHBondContact O-NE 2.95Å
70	L	83.4	Confident	84.8	Confident	143 Å²	143	100.7 Å²	100.7	75%	0.749	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-35.7	178.5	-65.1	175.9	0	0	0	111.7	C68 R72	C68-L70 VanDerWaalsContact C-N 3.28Å; C68-L70 HydrophobicContact CB-CD1 4.34Å; C68-L70 HydrophobicContact CB-CG 4.21Å; C68-L70 PolarHBondContact O-N 3.24Å; L70-R72 PolarHBondContact O-N 3.38Å
71	W	81.4	Confident	85	Confident	120 Å²	120	99.8 Å²	99.8	46%	0.455	51%	0.512	S	S	.	.			trans	-78.4	113.6	178.1	-53.3	96.1	0	0	0	109.9	M8 L10	M8-W71 HydrophobicContact CB-CZ2 4.12Å; M8-W71 WeakPolarHBondContact O-CZ2 3.35Å; L10-W71 HydrophobicContact CD1-CB 3.43Å; L10-W71 VanDerWaalsContact CD1-CB 3.43Å; L10-W71 HydrophobicContact CD1-CD2 4.23Å; L10-W71 HydrophobicContact CD1-CG 3.38Å
72	R	86.5	Confident	85	Confident	80 Å²	80	100.4 Å²	100.4	30%	0.302	51%	0.513	S	S	.	.			trans	-116	134.3	-176.7	-61.9	-57.8	-172.7	131.6	11.1	111.4	N69 L70 E76 Y89 P90	N69-R72 PolarHBondContact O-NE 2.95Å; L70-R72 PolarHBondContact O-N 3.38Å; R72-E76 WeakPolarHBondContact CD-OE2 3.44Å; R72-E76 IonicContact CZ-OE2 2.72Å; R72-E76 IonicContact NE-OE2 2.66Å; R72-E76 IonicContact NH1-OE2 3.35Å; R72-E76 PolarHBondContact NH1-OE2 2.87Å; R72-Y89 HydrophobicContact CB-CD1 3.62Å; R72-Y89 HydrophobicContact CB-CE1 3.69Å; R72-Y89 HydrophobicContact CB-CG 4.39Å; R72-Y89 HydrophobicContact CG-CD1 4.01Å; R72-Y89 HydrophobicContact CG-CE1 4.48Å; R72-Y89 HydrophobicContact CG-CG 4.33Å; R72-P90 PolarHBondContact NH1-O 2.76Å; R72-P90 VanDerWaalsContact NH1-O 3.09Å; R72-P90 PolarHBondContact NH2-O 2.89Å
73	S	80.8	Confident	85.2	Confident	51 Å²	51	103.4 Å²	103.4	36%	0.357	52%	0.52	S	S	.	.			trans	-72	155.1	178.2	69.1	0	0	0	0	111.6	R75 E76	S73-R75 PolarHBondContact O-N 3.09Å; S73-R75 VanDerWaalsContact O-N 3.14Å; S73-E76 WeakPolarHBondContact CB-OE1 3.34Å; S73-E76 PolarHBondContact N-OE1 3.35Å; S73-E76 PolarHBondContact O-N 3.2Å; S73-E76 VanDerWaalsContact O-N 3.09Å; S73-E76 WeakPolarHBondContact OG-CG 3.29Å; S73-E76 PolarHBondContact OG-N 3.23Å; S73-E76 PolarHBondContact OG-OE1 3.35Å
74	R	85.6	Confident	85.5	Confident	213 Å²	213	106 Å²	106	80%	0.804	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.8	171.5	-172.6	176.8	177.9	177.9	1.5	112.2	R77	R74-R77 WeakPolarHBondContact O-CB 3.49Å; R74-R77 PolarHBondContact O-N 3.38Å
75	R	87.8	Confident	85.6	Confident	236 Å²	236	107 Å²	107	89%	0.891	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.6	177.8	-57.3	-175.2	-171.8	-136.2	4.8	113.1	S73	S73-R75 PolarHBondContact O-N 3.09Å; S73-R75 VanDerWaalsContact O-N 3.14Å
76	E	85.9	Confident	85.7	Confident	58 Å²	58	109.2 Å²	109.2	27%	0.271	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-15.9	174.3	-74.5	162.2	-90	0	0	113.4	R72 S73 R78 Y89 P90	R72-E76 WeakPolarHBondContact CD-OE2 3.44Å; R72-E76 IonicContact CZ-OE2 2.72Å; R72-E76 IonicContact NE-OE2 2.66Å; R72-E76 IonicContact NH1-OE2 3.35Å; R72-E76 PolarHBondContact NH1-OE2 2.87Å; S73-E76 WeakPolarHBondContact CB-OE1 3.34Å; S73-E76 PolarHBondContact N-OE1 3.35Å; S73-E76 PolarHBondContact O-N 3.2Å; S73-E76 VanDerWaalsContact O-N 3.09Å; S73-E76 WeakPolarHBondContact OG-CG 3.29Å; S73-E76 PolarHBondContact OG-N 3.23Å; S73-E76 PolarHBondContact OG-OE1 3.35Å; E76-R78 PolarHBondContact O-N 3.28Å; E76-Y89 HydrophobicContact CB-CD1 4.12Å; E76-P90 WeakPolarHBondContact O-CD 3.21Å
77	R	90.9	Very high	86.1	Confident	102 Å²	102	111.1 Å²	111.1	39%	0.385	55%	0.554	S	S	.	*			trans	-69.5	120.1	-179.6	-171.2	-173.8	-64.2	-179.2	-0	110.1	R74 Y87 Y89	R74-R77 WeakPolarHBondContact O-CB 3.49Å; R74-R77 PolarHBondContact O-N 3.38Å; R77-Y87 VanDerWaalsContact CD-CD1 3.46Å; R77-Y87 HydrophobicContact CG-CD1 3.5Å; R77-Y87 VanDerWaalsContact CG-CD1 3.5Å; R77-Y87 HydrophobicContact CG-CD2 4.39Å; R77-Y87 HydrophobicContact CG-CE1 4.13Å; R77-Y87 HydrophobicContact CG-CG 3.64Å; R77-Y89 HydrophobicContact CB-CD1 4.4Å; R77-Y89 HydrophobicContact CB-CE1 3.64Å; R77-Y89 HydrophobicContact CG-CE1 4.09Å; R77-Y89 PolarHBondContact NE-OH 3.34Å
78	R	87.2	Confident	86.5	Confident	150 Å²	150	109.4 Å²	109.4	57%	0.566	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	151.3	175.3	-62	172.1	-177	177.1	-2.1	109.3	E76 Y87 T88	E76-R78 PolarHBondContact O-N 3.28Å; R78-Y87 CarbonylContact O-C 3.52Å; R78-Y87 VanDerWaalsContact O-CA 3.29Å; R78-Y87 WeakPolarHBondContact O-CA 3.34Å; R78-T88 HydrophobicContact CB-CG2 3.87Å; R78-T88 PolarHBondContact N-O 2.76Å; R78-T88 PolarHBondContact O-N 2.92Å
79	L	85.6	Confident	86.9	Confident	144 Å²	144	110.7 Å²	110.7	75%	0.754	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	143.1	162.9	-108.5	68.9	0	0	0	108.8	Y87	L79-Y87 HydrophobicContact CD1-CD1 4.47Å; L79-Y87 HydrophobicContact CD1-CE1 4.2Å
80	S	86.2	Confident	87.1	Confident	32 Å²	32	108.7 Å²	108.7	22%	0.224	53%	0.531	C	S	.	.			trans	-76.5	156.9	170.6	-158	0	0	0	0	111	D82 V85	S80-D82 WeakPolarHBondContact OG-CB 3.24Å; S80-D82 PolarHBondContact OG-N 3.12Å; S80-D82 VanDerWaalsContact OG-N 3.13Å; S80-V85 WeakPolarHBondContact CB-O 3.2Å
81	S	85.1	Confident	87.1	Confident	130 Å²	130	107.2 Å²	107.2	91%	0.909	53%	0.533	S	S	*	.	S	Bend	trans	-87.3	-11.3	161.8	55.3	0	0	0	0	112.7
82	D	87.9	Confident	87.1	Confident	79 Å²	79	109.9 Å²	109.9	42%	0.422	54%	0.543	S	S	.	.	S	Bend	trans	-90.3	122.7	178.6	-172.1	-30.1	0	0	0	109.4	S80 D84 V85	S80-D82 WeakPolarHBondContact OG-CB 3.24Å; S80-D82 PolarHBondContact OG-N 3.12Å; S80-D82 VanDerWaalsContact OG-N 3.13Å; D82-D84 PolarHBondContact O-N 2.74Å; D82-D84 PolarHBondContact OD1-N 3.33Å; D82-D84 VanDerWaalsContact OD1-N 3.11Å; D82-V85 HydrophobicContact CB-CB 4.23Å; D82-V85 HydrophobicContact CB-CG2 4.14Å; D82-V85 PolarHBondContact O-N 3.38Å; D82-V85 VanDerWaalsContact O-N 3.17Å
83	P	86.8	Confident	87.2	Confident	129 Å²	129	117.7 Å²	117.7	84%	0.838	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-24.3	-176.2	26.5	-35.7	0	0	0	114.2	V85	P83-V85 VanDerWaalsContact C-N 3.29Å
84	D	91.5	Very high	87.4	Confident	154 Å²	154	125.8 Å²	125.8	82%	0.824	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-1.9	-179.9	-67.5	-27.3	0	0	0	112.7	D82	D82-D84 PolarHBondContact O-N 2.74Å; D82-D84 PolarHBondContact OD1-N 3.33Å; D82-D84 VanDerWaalsContact OD1-N 3.11Å
85	V	90.2	Very high	87.4	Confident	61 Å²	61	126.2 Å²	126.2	37%	0.37	60%	0.597	S	S	.	*			trans	-122.8	112.7	-174.8	-178.8	0	0	0	0	110.6	S80 D82 P83 Y87	S80-V85 WeakPolarHBondContact CB-O 3.2Å; D82-V85 HydrophobicContact CB-CB 4.23Å; D82-V85 HydrophobicContact CB-CG2 4.14Å; D82-V85 PolarHBondContact O-N 3.38Å; D82-V85 VanDerWaalsContact O-N 3.17Å; P83-V85 VanDerWaalsContact C-N 3.29Å; V85-Y87 WeakPolarHBondContact CG1-O 3.35Å; V85-Y87 PolarHBondContact O-N 3.27Å
86	V	88.2	Confident	87.3	Confident	107 Å²	107	123.4 Å²	123.4	65%	0.648	59%	0.591	S	S	*	*	S	Bend	trans	-65.1	-41	-178.7	-169.9	0	0	0	0	112.4
87	Y	91.8	Very high	86.6	Confident	108 Å²	108	126.6 Å²	126.6	42%	0.424	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.8	141.7	-176.2	-59.8	-65.6	0	0	0	112.7	R77 R78 L79 V85	R77-Y87 VanDerWaalsContact CD-CD1 3.46Å; R77-Y87 HydrophobicContact CG-CD1 3.5Å; R77-Y87 VanDerWaalsContact CG-CD1 3.5Å; R77-Y87 HydrophobicContact CG-CD2 4.39Å; R77-Y87 HydrophobicContact CG-CE1 4.13Å; R77-Y87 HydrophobicContact CG-CG 3.64Å; R78-Y87 CarbonylContact O-C 3.52Å; R78-Y87 VanDerWaalsContact O-CA 3.29Å; R78-Y87 WeakPolarHBondContact O-CA 3.34Å; L79-Y87 HydrophobicContact CD1-CD1 4.47Å; L79-Y87 HydrophobicContact CD1-CE1 4.2Å; V85-Y87 WeakPolarHBondContact CG1-O 3.35Å; V85-Y87 PolarHBondContact O-N 3.27Å
88	T	90.8	Very high	85.5	Confident	61 Å²	61	131.4 Å²	131.4	37%	0.374	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.3	152.1	171.5	-168.9	0	0	0	0	111.2	R78	R78-T88 HydrophobicContact CB-CG2 3.87Å; R78-T88 PolarHBondContact N-O 2.76Å; R78-T88 PolarHBondContact O-N 2.92Å
89	Y	89.5	Confident	83.9	Confident	84 Å²	84	130.3 Å²	130.3	33%	0.329	63%	0.633	S	S	.	*			trans	-127.5	150.2	179.6	-67.7	-89.5	0	0	0	110.2	R72 E76 R77 S91	R72-Y89 HydrophobicContact CB-CD1 3.62Å; R72-Y89 HydrophobicContact CB-CE1 3.69Å; R72-Y89 HydrophobicContact CB-CG 4.39Å; R72-Y89 HydrophobicContact CG-CD1 4.01Å; R72-Y89 HydrophobicContact CG-CE1 4.48Å; R72-Y89 HydrophobicContact CG-CG 4.33Å; E76-Y89 HydrophobicContact CB-CD1 4.12Å; R77-Y89 HydrophobicContact CB-CD1 4.4Å; R77-Y89 HydrophobicContact CB-CE1 3.64Å; R77-Y89 HydrophobicContact CG-CE1 4.09Å; R77-Y89 PolarHBondContact NE-OH 3.34Å; Y89-S91 PolarHBondContact O-N 2.92Å; Y89-S91 VanDerWaalsContact O-N 3.07Å
90	P	86.5	Confident	82.5	Confident	41 Å²	41	128.4 Å²	128.4	27%	0.266	63%	0.63	S	S	.	*			trans	-58.7	113.3	179.8	-24.9	34.4	0	0	0	112.7	R72 E76	R72-P90 PolarHBondContact NH1-O 2.76Å; R72-P90 VanDerWaalsContact NH1-O 3.09Å; R72-P90 PolarHBondContact NH2-O 2.89Å; E76-P90 WeakPolarHBondContact O-CD 3.21Å
91	S	83.9	Confident	80.9	Confident	112 Å²	112	133.1 Å²	133.1	78%	0.783	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-70.8	139.7	173.7	55.1	0	0	0	0	110.9	Y89	Y89-S91 PolarHBondContact O-N 2.92Å; Y89-S91 VanDerWaalsContact O-N 3.07Å
92	R	81.6	Confident	79.1	Confident	175 Å²	175	131.9 Å²	131.9	66%	0.66	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-79.7	131.3	173	-168.8	174.7	-178.3	167.8	-3.9	108.2
93	R	88.2	Confident	77.2	Confident	244 Å²	244	134.3 Å²	134.3	92%	0.921	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-67.1	136.8	171.5	-65.7	-175.9	178.6	-153.6	-0.5	109.1
94	W	84.1	Confident	74.9	Confident	221 Å²	221	133.1 Å²	133.1	84%	0.837	67%	0.667	S	S	*	*			trans	-140.9	159.2	177.6	60.6	-89.1	0	0	0	109.7	K96	W94-K96 HydrophobicContact CZ3-CB 4.44Å
95	R	86.8	Confident	72.5	Confident	223 Å²	223	130.8 Å²	130.8	84%	0.842	67%	0.669	S	S	*	*			trans	-141.3	127.1	178.7	172.3	-179.3	171.5	-171.6	-3.2	108.9	K97	R95-K97 PolarHBondContact O-N 3.01Å
96	K	83.8	Confident	70.2	Confident	176 Å²	176	133.2 Å²	133.2	77%	0.765	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-70.6	117.9	168.6	-167.6	170.8	-177.1	175.4	0	109	W94	W94-K96 HydrophobicContact CZ3-CB 4.44Å
97	K	71.4	Confident	67.7	Low	126 Å²	126	131.9 Å²	131.9	55%	0.548	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-61.1	138	166.7	-73.1	174.6	174.3	171.7	0	107.8	R95 D158	R95-K97 PolarHBondContact O-N 3.01Å; K97-D158 IonicContact NZ-OD1 3.69Å; K97-D158 PolarHBondContact NZ-OD1 3.29Å
98	K	68	Low	65.1	Low	202 Å²	202	135.1 Å²	135.1	88%	0.878	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-79.6	126.5	172.2	-75	-174.5	176.9	-177.4	0	107.3
99	N	55	Low	62.6	Low	128 Å²	128	136.7 Å²	136.7	68%	0.684	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-58.1	136.1	174	-70	13.9	0	0	0	109.6	V101	N99-V101 PolarHBondContact O-N 2.98Å
100	P	56.4	Low	60.1	Low	104 Å²	104	140 Å²	140	68%	0.675	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-57.5	134	165.2	-19.8	32.2	0	0	0	109.2
101	V	52.1	Low	57.8	Low	131 Å²	131	146.1 Å²	146.1	79%	0.794	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.5	128.4	170.4	-179.3	0	0	0	0	107.3	N99	N99-V101 PolarHBondContact O-N 2.98Å
102	P	47.4	Very low	55.4	Low	104 Å²	104	146.6 Å²	146.6	68%	0.675	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-57.1	141.7	175.1	-24	33.8	0	0	0	110.8	A104	P102-A104 PolarHBondContact O-N 2.92Å
103	P	48.1	Very low	53.3	Low	129 Å²	129	142.8 Å²	142.8	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-60.1	126.2	178.3	-19.3	30.6	0	0	0	110.5	A105	P103-A105 PolarHBondContact O-N 3.01Å; P103-A105 VanDerWaalsContact O-N 3.11Å
104	A	38.2	Very low	50.7	Low	105 Å²	105	140.2 Å²	140.2	87%	0.868	79%	0.785	S	S	*	*			trans	-66.5	111.3	179.7	0	0	0	0	0	110.8	P102 S106	P102-A104 PolarHBondContact O-N 2.92Å; A104-S106 PolarHBondContact O-N 3.29Å
105	A	41	Very low	48.6	Very low	104 Å²	104	138 Å²	138	86%	0.86	79%	0.789	S	S	*	*			trans	-69.6	119.8	173.5	0	0	0	0	0	110.5	P103 A107	P103-A105 PolarHBondContact O-N 3.01Å; P103-A105 VanDerWaalsContact O-N 3.11Å; A105-A107 PolarHBondContact O-N 2.86Å
106	S	40.9	Very low	46.2	Very low	113 Å²	113	132.1 Å²	132.1	79%	0.79	79%	0.787	S	S	*	*			trans	-48.9	122	-178.8	169.2	0	0	0	0	114.7	A104	A104-S106 PolarHBondContact O-N 3.29Å
107	A	35.6	Very low	44	Very low	79 Å²	79	127.6 Å²	127.6	65%	0.653	79%	0.791	S	S	*	*			trans	33	120.4	142.8	0	0	0	0	0	120.1	A105	A105-A107 PolarHBondContact O-N 2.86Å
108	N	38.9	Very low	42.4	Very low	175 Å²	175	128.8 Å²	128.8	94%	0.936	80%	0.803	S	S	*	*			trans	-145	129.2	131.7	-103.4	-37.8	0	0	0	112
109	S	37.1	Very low	41.2	Very low	95 Å²	95	123.8 Å²	123.8	66%	0.664	79%	0.793	S	S	*	*			trans	-76.4	134.8	-167.5	119.6	0	0	0	0	113.7
110	V	38.2	Very low	40.4	Very low	152 Å²	152	129 Å²	129	92%	0.921	80%	0.803	S	S	*	*			trans	-134.9	138	137.1	-174.7	0	0	0	0	109.1
111	K	37.4	Very low	39.4	Very low	171 Å²	171	128 Å²	128	74%	0.743	80%	0.804	S	S	*	*			trans	-91.8	155.8	-160.8	-62.5	167.4	174.9	172.8	0	114.5
112	S	34.3	Very low	38.6	Very low	122 Å²	122	126.9 Å²	126.9	85%	0.853	80%	0.798	S	S	*	*			trans	70.9	145.5	142.9	-65.6	0	0	0	0	118.6
113	A	37	Very low	38.2	Very low	95 Å²	95	129.3 Å²	129.3	79%	0.785	80%	0.8	S	S	*	*			cis	-148.3	161.8	-1.3	0	0	0	0	0	111.8
114	E	33.3	Very low	37.4	Very low	189 Å²	189	131.1 Å²	131.1	88%	0.883	80%	0.797	S	S	*	*			trans	-75.6	146.8	178.1	-53.6	151.6	123.4	0	0	112.2
115	I	39.9	Very low	37.2	Very low	176 Å²	176	130 Å²	130	90%	0.903	80%	0.795	S	S	*	*			trans	-139.6	123	139.9	-59.6	-174.2	0	0	0	107.8
116	A	36.3	Very low	36.8	Very low	99 Å²	99	134.2 Å²	134.2	82%	0.818	80%	0.798	S	S	*	*			trans	-87.5	152.1	175.2	0	0	0	0	0	111.7
117	G	36.7	Very low	36.7	Very low	81 Å²	81	134.1 Å²	134.1	84%	0.835	79%	0.794	S	S	*	*			trans	-161.3	87.2	-177	0	0	0	0	0	112.4
118	D	39.3	Very low	36.6	Very low	150 Å²	150	135 Å²	135	80%	0.802	80%	0.795	S	S	*	*			trans	-61	158.2	-170	-158.1	-12.4	0	0	0	116.8
119	S	41.7	Very low	36.5	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	79%	0.792	S	S	*	*			trans	77.5	113	141.5	-86.2	0	0	0	0	123.3
120	R	38	Very low	36.3	Very low	238 Å²	238	140.4 Å²	140.4	90%	0.898	80%	0.8	S	S	*	*				125	108.4	110.7	-164.9	167.8	-175.5	144.4	-0.9	117
121	A	35.6	Very low	36.1	Very low	84 Å²	84	139.2 Å²	139.2	69%	0.694	80%	0.797	S	S	*	*			trans	9.9	144.3	144.9	0	0	0	0	0	119
122	T	35.4	Very low	35.9	Very low	106 Å²	106	139 Å²	139	65%	0.65	80%	0.804	S	S	*	*				174.7	138	73.3	-55.1	0	0	0	0	108.5
123	Q	40.2	Very low	36.2	Very low	155 Å²	155	139.7 Å²	139.7	72%	0.724	80%	0.798	S	S	*	*			trans	42.1	155.5	151.4	-61.2	171.6	-51.2	0	0	120.4
124	E	31.5	Very low	36.1	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	80%	0.795	S	S	*	*			cis	-167.1	156.7	-9.7	-107	159.6	-153.8	0	0	105
125	G	33.3	Very low	36.5	Very low	80 Å²	80	138.3 Å²	138.3	83%	0.825	79%	0.79	S	S	*	*			trans	137.9	99.9	170	0	0	0	0	0	115
126	E	33.4	Very low	36.1	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	79%	0.79	S	S	*	*			trans	-79.4	170.5	174.4	-105.6	-135.7	138.1	0	0	113.2
127	P	38.2	Very low	36.1	Very low	110 Å²	110	142 Å²	142	71%	0.714	79%	0.786	S	S	*	*			trans	-109.2	-179.8	-138.9	41	-37.4	0	0	0	115.1
128	S	32.7	Very low	35.7	Very low	98 Å²	98	144.7 Å²	144.7	69%	0.685	79%	0.785	S	S	*	*			trans	-148.9	152.6	162.6	68.4	0	0	0	0	113.1
129	R	38.2	Very low	35.6	Very low	228 Å²	228	144.3 Å²	144.3	86%	0.86	79%	0.788	S	S	*	*			trans	90.2	114.7	161.5	-61.9	175.5	173.2	157.8	0.5	119.5
130	D	32.3	Very low	35	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	78%	0.783	S	S	*	*			trans	0.7	136.5	135.4	-64.1	-59.2	0	0	0	118.5
131	C	33.3	Very low	34.5	Very low	127 Å²	127	139.7 Å²	139.7	86%	0.858	78%	0.781	S	S	*	*				-170.6	153.3	96	54.4	0	0	0	0	113.4
132	N	34.5	Very low	34.2	Very low	166 Å²	166	142.1 Å²	142.1	89%	0.888	79%	0.787	S	S	*	*			trans	-82.7	141	168.3	-73.5	-53.6	0	0	0	110.8
133	D	38.6	Very low	34.2	Very low	137 Å²	137	141.6 Å²	141.6	73%	0.733	79%	0.788	S	S	*	*			trans	-150.3	116.3	145.9	-170.9	-2.5	0	0	0	110.1
134	P	36	Very low	34	Very low	110 Å²	110	138.4 Å²	138.4	71%	0.714	78%	0.779	S	S	*	*			trans	-96.9	100.2	177.4	34.9	-28.9	0	0	0	112
135	N	41.8	Very low	34.2	Very low	145 Å²	145	136.8 Å²	136.8	78%	0.775	78%	0.775	S	S	*	*			trans	-152.9	152.9	166.7	-96.4	-61.9	0	0	0	114.2
136	R	32.2	Very low	34.4	Very low	239 Å²	239	138.7 Å²	138.7	90%	0.902	77%	0.766	S	S	*	*			trans	83.3	148.6	176.7	-86.5	-163.4	146.3	-147.7	-6.1	118.6
137	P	35.2	Very low	34.6	Very low	113 Å²	113	134.6 Å²	134.6	73%	0.734	75%	0.75	S	S	*	*				-130.6	176.5	-124.5	33.7	-12.6	0	0	0	115.8
138	V	29.4	Very low	34.5	Very low	137 Å²	137	136.5 Å²	136.5	83%	0.83	74%	0.743	S	S	*	*			trans	-53.6	130.6	-179.7	179.6	0	0	0	0	113.4
139	V	35.5	Very low	34.8	Very low	143 Å²	143	137.3 Å²	137.3	87%	0.867	74%	0.736	S	S	*	*			trans	-125.2	119.4	149.4	177.9	0	0	0	0	106
140	G	29.3	Very low	34.6	Very low	54 Å²	54	133.5 Å²	133.5	56%	0.557	73%	0.726	S	S	*	*			trans	-95.8	153.3	169	0	0	0	0	0	110.1
141	E	28.7	Very low	34.8	Very low	183 Å²	183	134.6 Å²	134.6	86%	0.855	72%	0.718	S	S	*	*				-178.5	135.2	125.4	-100.2	174.3	171	0	0	111.6
142	T	28.9	Very low	34.9	Very low	135 Å²	135	133.1 Å²	133.1	83%	0.828	70%	0.699	S	S	*	*			trans	41.4	94.1	149.4	62.1	0	0	0	0	119.7
143	S	34.7	Very low	34.8	Very low	96 Å²	96	131.3 Å²	131.3	67%	0.671	69%	0.685	S	S	*	*			trans	-117	99.6	146.2	-162.7	0	0	0	0	110.8
144	T	36.1	Very low	34.6	Very low	87 Å²	87	130.6 Å²	130.6	53%	0.534	68%	0.675	S	S	.	*			trans	22.8	125.6	155.8	57.3	0	0	0	0	121	L146 D147	T144-L146 PolarHBondContact O-N 2.72Å; T144-D147 PolarHBondContact O-N 2.95Å
145	L	36.4	Very low	34.7	Very low	134 Å²	134	133.5 Å²	133.5	70%	0.702	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	-26.8	169.6	-77.2	162.7	0	0	0	114.9	D147 R148 E149	L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.76Å; L145-R148 WeakPolarHBondContact O-CB 3.2Å; L145-R148 PolarHBondContact O-N 2.89Å; L145-E149 PolarHBondContact O-N 3.48Å
146	L	37.5	Very low	34.5	Very low	120 Å²	120	135.7 Å²	135.7	63%	0.628	67%	0.671	S	S	*	*	H	α-helix	trans	-63.1	-32.7	-178.7	-63	172.8	0	0	0	113.4	T144 R148 F150	T144-L146 PolarHBondContact O-N 2.72Å; L146-R148 PolarHBondContact O-N 3.09Å; L146-F150 WeakPolarHBondContact O-CB 3.38Å; L146-F150 PolarHBondContact O-N 3.3Å; L146-F150 VanDerWaalsContact O-N 3.09Å
147	D	37.2	Very low	34.8	Very low	109 Å²	109	130.4 Å²	130.4	58%	0.583	66%	0.661	S	S	*	*	H	α-helix	trans	-67.5	-23.9	174.5	-96	-22.9	0	0	0	111.9	T144 L145 R151	T144-D147 PolarHBondContact O-N 2.95Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.76Å; D147-R151 WeakPolarHBondContact O-CB 3.5Å; D147-R151 PolarHBondContact O-N 3.43Å
148	R	37.1	Very low	35.2	Very low	150 Å²	150	130.1 Å²	130.1	57%	0.566	65%	0.653	S	S	*	*	H	α-helix	trans	-80.4	-45.8	178.6	-139.7	-174.6	82.1	-171.2	-0.9	111.4	L145 L146 F150 R151 E152	L145-R148 WeakPolarHBondContact O-CB 3.2Å; L145-R148 PolarHBondContact O-N 2.89Å; L146-R148 PolarHBondContact O-N 3.09Å; R148-F150 PolarHBondContact O-N 3.42Å; R148-R151 PolarHBondContact O-N 3.2Å; R148-E152 IonicContact CZ-OE1 2.95Å; R148-E152 IonicContact NE-OE1 3.86Å; R148-E152 PolarHBondContact NE-OE1 3.19Å; R148-E152 IonicContact NH2-OE1 2.7Å; R148-E152 PolarHBondContact NH2-OE1 2.62Å; R148-E152 WeakPolarHBondContact O-CG 3.43Å; R148-E152 PolarHBondContact O-N 2.95Å
149	E	37.6	Very low	35.9	Very low	114 Å²	114	129.5 Å²	129.5	53%	0.533	64%	0.637	S	S	.	*	H	α-helix	trans	-59	-46	174.4	-68.1	178.9	152.7	0	0	111.2	L145 R151 E152 Q153	L145-E149 PolarHBondContact O-N 3.48Å; E149-R151 PolarHBondContact O-N 3.38Å; E149-E152 PolarHBondContact O-N 3.01Å; E149-E152 VanDerWaalsContact O-N 3.17Å; E149-Q153 PolarHBondContact O-N 3.25Å
150	F	33.9	Very low	35.9	Very low	149 Å²	149	125.1 Å²	125.1	65%	0.654	62%	0.621	S	S	*	*	H	α-helix	trans	-63.5	-30.3	178.6	-147.1	-85.4	0	0	0	112.9	L146 R148	L146-F150 WeakPolarHBondContact O-CB 3.38Å; L146-F150 PolarHBondContact O-N 3.3Å; L146-F150 VanDerWaalsContact O-N 3.09Å; R148-F150 PolarHBondContact O-N 3.42Å
151	R	36.4	Very low	36.2	Very low	179 Å²	179	130.1 Å²	130.1	68%	0.675	63%	0.634	S	S	*	*	H	α-helix	trans	-79.1	-34.2	175.7	-158.3	176.4	82	162.7	6.3	112.4	D147 R148 E149 F154	D147-R151 WeakPolarHBondContact O-CB 3.5Å; D147-R151 PolarHBondContact O-N 3.43Å; R148-R151 PolarHBondContact O-N 3.2Å; E149-R151 PolarHBondContact O-N 3.38Å; R151-F154 PolarHBondContact O-N 3.45Å
152	E	34.8	Very low	36.7	Very low	95 Å²	95	127.6 Å²	127.6	44%	0.444	63%	0.631	S	S	.	*	H	α-helix	trans	-68.1	-41.1	176.2	-74.7	169.5	-155.9	0	0	111.1	R148 E149 F154 W155	R148-E152 IonicContact CZ-OE1 2.95Å; R148-E152 IonicContact NE-OE1 3.86Å; R148-E152 PolarHBondContact NE-OE1 3.19Å; R148-E152 IonicContact NH2-OE1 2.7Å; R148-E152 PolarHBondContact NH2-OE1 2.62Å; R148-E152 WeakPolarHBondContact O-CG 3.43Å; R148-E152 PolarHBondContact O-N 2.95Å; E149-E152 PolarHBondContact O-N 3.01Å; E149-E152 VanDerWaalsContact O-N 3.17Å; E152-F154 VanDerWaalsContact C-N 3.27Å; E152-F154 PolarHBondContact O-N 3.31Å; E152-W155 PolarHBondContact O-N 3.43Å
153	Q	33.8	Very low	36.9	Very low	128 Å²	128	125.9 Å²	125.9	60%	0.598	62%	0.621	S	S	*	*	H	α-helix	trans	-57.2	-38.5	173.9	-134.2	79.4	23.9	0	0	112.9	E149 W155 Y156 D157	E149-Q153 PolarHBondContact O-N 3.25Å; Q153-W155 PolarHBondContact O-N 3.44Å; Q153-W155 VanDerWaalsContact O-N 3.15Å; Q153-Y156 PolarHBondContact O-N 3.2Å; Q153-D157 PolarHBondContact O-N 3.15Å
154	F	34.7	Very low	36.6	Very low	122 Å²	122	124.5 Å²	124.5	54%	0.535	62%	0.622	S	S	.	*	H	α-helix	trans	-65.9	-16.8	-174.8	-140.2	-86.4	0	0	0	114.2	R151 E152	R151-F154 PolarHBondContact O-N 3.45Å; E152-F154 VanDerWaalsContact C-N 3.27Å; E152-F154 PolarHBondContact O-N 3.31Å
155	W	36.6	Very low	36.5	Very low	171 Å²	171	126.8 Å²	126.8	65%	0.648	63%	0.627	S	S	*	*	H	α-helix	trans	-91.4	-20.7	177.8	-69.7	101.1	0	0	0	113.9	E152 Q153	E152-W155 PolarHBondContact O-N 3.43Å; Q153-W155 PolarHBondContact O-N 3.44Å; Q153-W155 VanDerWaalsContact O-N 3.15Å
156	Y	38.9	Very low	36.2	Very low	192 Å²	192	128.4 Å²	128.4	75%	0.753	64%	0.636	S	S	*	*	H	α-helix	trans	-90.3	-34.5	-179.6	-81.9	-85.9	0	0	0	112.9	Q153 D158 Y159	Q153-Y156 PolarHBondContact O-N 3.2Å; Y156-D158 VanDerWaalsContact C-N 3.3Å; Y156-D158 PolarHBondContact O-N 3.47Å; Y156-Y159 PolarHBondContact O-N 3Å
157	D	36.9	Very low	36.1	Very low	127 Å²	127	128 Å²	128	68%	0.679	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-67.2	-19.9	-175.4	-95.2	2.1	0	0	0	115.2	Q153 Y159	Q153-D157 PolarHBondContact O-N 3.15Å; D157-Y159 VanDerWaalsContact C-N 3.28Å; D157-Y159 PolarHBondContact O-N 3.31Å
158	D	44	Very low	36	Very low	108 Å²	108	131.8 Å²	131.8	58%	0.578	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-82.3	-3.7	-179.7	-135.9	45.1	0	0	0	113.3	K97 Y156	K97-D158 IonicContact NZ-OD1 3.69Å; K97-D158 PolarHBondContact NZ-OD1 3.29Å; Y156-D158 VanDerWaalsContact C-N 3.3Å; Y156-D158 PolarHBondContact O-N 3.47Å
159	Y	45	Very low	35.8	Very low	124 Å²	124	131.6 Å²	131.6	49%	0.486	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-101.1	-10.3	178.4	-73.1	-80.9	0	0	0	114.5	V66 Y156 D157 D161	V66-Y159 WeakPolarHBondContact CG1-OH 3.15Å; Y156-Y159 PolarHBondContact O-N 3Å; D157-Y159 VanDerWaalsContact C-N 3.28Å; D157-Y159 PolarHBondContact O-N 3.31Å; Y159-D161 VanDerWaalsContact C-N 3.33Å; Y159-D161 PolarHBondContact O-N 2.91Å
160	G	35.1	Very low	35.7	Very low	51 Å²	51	132 Å²	132	53%	0.526	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-77.9	-7.8	-179.2	0	0	0	0	0	115.9	T163	G160-T163 PolarHBondContact O-OG1 3.18Å
161	D	36.3	Very low	35.9	Very low	158 Å²	158	129.5 Å²	129.5	85%	0.845	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-102.4	21.6	-171.3	-157.6	27	0	0	0	113.1	Y159	Y159-D161 VanDerWaalsContact C-N 3.33Å; Y159-D161 PolarHBondContact O-N 2.91Å
162	V	38.6	Very low	35.8	Very low	130 Å²	130	127.9 Å²	127.9	79%	0.788	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-116.5	-5.8	173.2	-158.9	0	0	0	0	111.7
163	T	32.4	Very low	36	Very low	99 Å²	99	129.3 Å²	129.3	61%	0.607	69%	0.685	S	S	*	*			trans	-104.6	94	177.9	49.6	0	0	0	0	109.9	G160	G160-T163 PolarHBondContact O-OG1 3.18Å
164	G	29.6	Very low	36	Very low	68 Å²	68	129.7 Å²	129.7	70%	0.701	69%	0.691	S	S	*	*			trans	-158	74.3	179	0	0	0	0	0	111.8
165	E	33.6	Very low	36.1	Very low	135 Å²	135	131.4 Å²	131.4	63%	0.631	71%	0.706	S	S	*	*			trans	-165.6	116.4	157.6	-109.5	161.8	-140.2	0	0	108.3
166	D	30.9	Very low	35.9	Very low	167 Å²	167	133.5 Å²	133.5	89%	0.893	72%	0.715	S	S	*	*			trans	-71.1	125.4	-179.7	-52	-74.8	0	0	0	110.4
167	Y	35.2	Very low	35.8	Very low	113 Å²	113	132.1 Å²	132.1	44%	0.443	72%	0.715	S	S	.	*			trans	-129.5	126.9	169.9	-89.3	-76.1	0	0	0	111	H231	Y167-H231 AromaticContact CD1-CE1 3.51Å; Y167-H231 AromaticContact CD1-ND1 3.49Å; Y167-H231 WeakPolarHBondContact CD1-ND1 3.33Å; Y167-H231 AromaticContact CE1-CE1 3.1Å; Y167-H231 WeakPolarHBondContact CE1-CE1 3Å; Y167-H231 AromaticContact CE1-ND1 3.48Å; Y167-H231 WeakPolarHBondContact CE1-ND1 3.08Å; Y167-H231 AromaticContact CE1-NE2 3.81Å; Y167-H231 AromaticContact CZ-CE1 3.86Å
168	E	34.4	Very low	35.5	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	72%	0.723	S	S	*	*			trans	-82.1	137.6	-179.2	-62.1	-177.9	146.8	0	0	111.3	P170	E168-P170 WeakPolarHBondContact O-CD 3.4Å
169	D	33.3	Very low	34.9	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	73%	0.731	S	S	*	*			trans	-70.7	121.8	178	173.8	13.1	0	0	0	112	S171	D169-S171 PolarHBondContact OD1-N 3.37Å
170	P	34.6	Very low	34.3	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	75%	0.745	S	S	*	*			trans	-119.5	57.9	-179.8	40	-25	0	0	0	113.2	E168	E168-P170 WeakPolarHBondContact O-CD 3.4Å
171	S	38.9	Very low	34.2	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	76%	0.756	S	S	*	*			trans	-146.8	47.3	168.2	-169.9	0	0	0	0	114.9	D169 T173	D169-S171 PolarHBondContact OD1-N 3.37Å; S171-T173 PolarHBondContact O-N 2.85Å
172	D	35.1	Very low	34.1	Very low	145 Å²	145	145.8 Å²	145.8	78%	0.775	76%	0.758	S	S	*	*			trans	-78.5	103.9	169.8	-174.9	19.4	0	0	0	111.5
173	T	37.6	Very low	33.8	Very low	124 Å²	124	149.2 Å²	149.2	76%	0.761	76%	0.762	S	S	*	*			trans	-141	91.4	160.5	54	0	0	0	0	110.8	S171	S171-T173 PolarHBondContact O-N 2.85Å
174	D	33.7	Very low	33.8	Very low	137 Å²	137	157 Å²	157	73%	0.733	78%	0.78	S	S	*	*			trans	23.4	109.3	143.9	-64.5	-42.2	0	0	0	118.5
175	D	37	Very low	34	Very low	158 Å²	158	163.5 Å²	163.5	85%	0.845	79%	0.789	S	S	*	*			trans	163.8	70.5	130.8	-88.9	-19.8	0	0	0	113.3
176	Y	32.7	Very low	34	Very low	215 Å²	215	166.7 Å²	166.7	84%	0.843	80%	0.801	S	S	*	*			trans	-170.7	24.4	144.7	-127.6	-102.4	0	0	0	119.1	E178	Y176-E178 PolarHBondContact O-N 3.35Å
177	E	36.1	Very low	34.1	Very low	162 Å²	162	168.6 Å²	168.6	76%	0.757	80%	0.801	S	S	*	*			trans	-92.6	46	173.5	-110.2	-118.1	-177.9	0	0	113.8	K181	E177-K181 IonicContact OE1-NZ 2.77Å; E177-K181 PolarHBondContact OE1-NZ 3.37Å; E177-K181 IonicContact OE2-NZ 2.68Å; E177-K181 PolarHBondContact OE2-NZ 2.9Å
178	E	30.9	Very low	34.1	Very low	178 Å²	178	168.4 Å²	168.4	83%	0.832	82%	0.816	S	S	*	*			trans	-132.1	67.9	170.2	-157.3	-177.8	-174.5	0	0	114.7	Y176	Y176-E178 PolarHBondContact O-N 3.35Å
179	L	32.9	Very low	34.1	Very low	145 Å²	145	163.8 Å²	163.8	76%	0.759	81%	0.81	S	S	*	*	S	Bend	trans	-159.7	129.2	151.6	-103.6	148.6	0	0	0	111.5
180	T	32.1	Very low	34.3	Very low	127 Å²	127	162 Å²	162	78%	0.779	81%	0.805	S	S	*	*			trans	91.8	6.7	167.3	78.6	0	0	0	0	122.3	R182	T180-R182 PolarHBondContact O-N 3.22Å
181	K	31.5	Very low	34.4	Very low	173 Å²	173	165.1 Å²	165.1	75%	0.752	81%	0.806	S	S	*	*			trans	-77.3	56.3	156.3	-74.2	173	-169.1	153	0	112.1	E177	E177-K181 IonicContact OE1-NZ 2.77Å; E177-K181 PolarHBondContact OE1-NZ 3.37Å; E177-K181 IonicContact OE2-NZ 2.68Å; E177-K181 PolarHBondContact OE2-NZ 2.9Å
182	R	34.6	Very low	34.2	Very low	233 Å²	233	166.6 Å²	166.6	88%	0.879	81%	0.811	S	S	*	*			trans	-96.2	98.9	-179.7	-93.1	-172.3	173.1	-175.7	0.5	113.9	T180	T180-R182 PolarHBondContact O-N 3.22Å
183	K	31.6	Very low	34.2	Very low	201 Å²	201	163.5 Å²	163.5	87%	0.874	81%	0.806	S	S	*	*			trans	45.9	105.7	148.1	-70.1	175.1	174.5	168.6	0	118.4
184	R	33.9	Very low	34.1	Very low	262 Å²	262	166.9 Å²	166.9	99%	0.989	81%	0.81	S	S	*	*			trans	-135.7	141.8	133	-109.1	174.4	179.8	178.3	0.1	111.5
185	K	32.5	Very low	34.1	Very low	206 Å²	206	169.2 Å²	169.2	90%	0.896	81%	0.813	S	S	*	*			trans	-120.3	112	-154.7	168.6	-171	-179.1	179.1	0	110.6
186	K	34.5	Very low	34.1	Very low	202 Å²	202	167 Å²	167	88%	0.878	81%	0.808	S	S	*	*			trans	-159.4	86.3	165.6	-140.8	173.3	-176.4	-178.4	0	117.5
187	K	32	Very low	34.1	Very low	206 Å²	206	162.1 Å²	162.1	90%	0.896	81%	0.805	S	S	*	*				45.1	95.6	121.8	-147.8	-174.9	-164	-171.8	0	121
188	S	35.3	Very low	34.1	Very low	109 Å²	109	160.1 Å²	160.1	76%	0.762	80%	0.804	S	S	*	*			trans	-165.7	125.2	130.3	50.8	0	0	0	0	107.7
189	A	35.6	Very low	34.2	Very low	91 Å²	91	156.2 Å²	156.2	75%	0.752	80%	0.796	S	S	*	*				63.2	124.6	72.6	0	0	0	0	0	113.1
190	T	37.3	Very low	34.3	Very low	109 Å²	109	155.5 Å²	155.5	67%	0.669	79%	0.793	S	S	*	*			cis	-172.4	127.9	2.5	-82	0	0	0	0	110.7
191	K	37.2	Very low	34.4	Very low	188 Å²	188	155 Å²	155	82%	0.817	79%	0.786	S	S	*	*			trans	59.7	166.9	157.2	-66.5	172.8	-173.7	177.8	0	117.2
192	T	34.8	Very low	34.5	Very low	127 Å²	127	153.9 Å²	153.9	78%	0.779	79%	0.788	S	S	*	*			cis	-172.6	164.3	-18.5	31.1	0	0	0	0	107.4
193	A	35.1	Very low	34.2	Very low	81 Å²	81	146.7 Å²	146.7	67%	0.669	78%	0.778	S	S	*	*			cis	172.6	168	-25.6	0	0	0	0	0	108.9
194	K	34.8	Very low	34.3	Very low	194 Å²	194	142.2 Å²	142.2	84%	0.843	77%	0.772	S	S	*	*			trans	77.3	151.1	170.4	-63.7	175.7	171.4	176.8	0	117.4
195	K	33.2	Very low	34.1	Very low	186 Å²	186	136.4 Å²	136.4	81%	0.809	76%	0.757	S	S	*	*			cis	-164.7	167.2	-21.2	-114.9	-166.3	171.1	-165.4	0	109.6
196	P	37.3	Very low	33.8	Very low	113 Å²	113	136.9 Å²	136.9	73%	0.734	75%	0.753	S	S	*	*			trans	-114.7	-156.3	-170.5	44.8	-36.2	0	0	0	115.4
197	S	32.1	Very low	33.5	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	74%	0.743	S	S	*	*			trans	97.8	148.2	178.3	76.7	0	0	0	0	114.4
198	T	35.8	Very low	33.1	Very low	120 Å²	120	132.8 Å²	132.8	74%	0.736	75%	0.746	S	S	*	*			cis	-156.4	137	21.5	26.3	0	0	0	0	108.6
199	S	33.4	Very low	32.8	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	75%	0.749	S	S	*	*				97.5	144.5	70.8	88.7	0	0	0	0	116
200	N	35	Very low	32.8	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	75%	0.752	S	S	*	*			trans	73	150	167	-58.9	52.8	0	0	0	118.2
201	D	34.7	Very low	32.4	Very low	116 Å²	116	135.1 Å²	135.1	62%	0.62	75%	0.751	S	S	*	*			cis	-172	148.1	-19.5	-101.4	-18	0	0	0	109.5
202	N	33.3	Very low	32.1	Very low	151 Å²	151	129.6 Å²	129.6	81%	0.807	73%	0.734	S	S	*	*			trans	59.5	159	155.5	-59	-36.8	0	0	0	119.3
203	A	28.9	Very low	32.1	Very low	81 Å²	81	129.4 Å²	129.4	67%	0.669	73%	0.732	S	S	*	*			cis	-168.9	168.3	-30.2	0	0	0	0	0	108.5
204	S	33.3	Very low	32.2	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	74%	0.735	S	S	*	*			trans	68.5	113.1	161.6	58	0	0	0	0	122
205	E	30.9	Very low	32.2	Very low	141 Å²	141	125.2 Å²	125.2	66%	0.659	72%	0.722	S	S	*	*				78.7	105.9	129.3	-67.5	-162.1	-142.7	0	0	124.1
206	R	25.7	Very low	32.3	Very low	215 Å²	215	121.6 Å²	121.6	81%	0.811	71%	0.711	S	S	*	*			trans	75.4	155.3	143.1	-54.5	173.5	-154.3	-137.7	3.3	118.7
207	P	27.1	Very low	32	Very low	104 Å²	104	123 Å²	123	68%	0.675	71%	0.711	S	S	*	*			cis	-132.3	160	-38.9	37	-21.9	0	0	0	114
208	F	25.3	Very low	32.2	Very low	219 Å²	219	125.4 Å²	125.4	96%	0.961	71%	0.71	S	S	*	*			trans	16.5	98.3	160.1	-72.1	-88.4	0	0	0	119.2
209	S	27.7	Very low	32	Very low	117 Å²	117	126.1 Å²	126.1	82%	0.818	71%	0.714	S	S	*	*			trans	-153.6	76.1	169.6	66.8	0	0	0	0	114.7
210	S	35.3	Very low	32	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	72%	0.721	S	S	*	*			trans	-166.5	79.7	159.6	55.3	0	0	0	0	111
211	L	28.5	Very low	31.8	Very low	122 Å²	122	129 Å²	129	64%	0.639	72%	0.724	S	S	*	*			trans	-82.8	141.2	172.6	-84.1	161.5	0	0	0	110.8	C215	L211-C215 HydrophobicContact CD2-CB 4.44Å
212	P	31.6	Very low	32	Very low	73 Å²	73	129.7 Å²	129.7	47%	0.474	73%	0.732	S	S	.	*			trans	-60.6	139.4	167.9	-20.7	32.5	0	0	0	110.9	S214 C215	P212-S214 PolarHBondContact O-N 3.4Å; P212-C215 PolarHBondContact O-N 3.16Å
213	V	34.9	Very low	32	Very low	122 Å²	122	130.4 Å²	130.4	74%	0.739	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-11.1	-169.5	177.9	0	0	0	0	113.5
214	S	37.4	Very low	32.3	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-26.3	172.4	55.6	0	0	0	0	114.5	P212	P212-S214 PolarHBondContact O-N 3.4Å
215	C	35.3	Very low	32.5	Very low	84 Å²	84	139.6 Å²	139.6	57%	0.568	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-82.9	-10	179.1	-84.4	0	0	0	0	114.2	L211 P212 L217	L211-C215 HydrophobicContact CD2-CB 4.44Å; P212-C215 PolarHBondContact O-N 3.16Å; C215-L217 PolarHBondContact O-N 3.09Å
216	L	34.7	Very low	32.5	Very low	109 Å²	109	136.5 Å²	136.5	57%	0.571	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-72.7	6.1	-176.1	-78.8	168.8	0	0	0	115.5
217	L	31.9	Very low	33	Very low	142 Å²	142	135.1 Å²	135.1	74%	0.743	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-112.5	-3.6	-177.4	-94.6	89.5	0	0	0	116.8	C215	C215-L217 PolarHBondContact O-N 3.09Å
218	H	34.5	Very low	33.4	Very low	163 Å²	163	135.8 Å²	135.8	76%	0.755	75%	0.746	S	S	*	*			trans	-127.9	93.5	174.5	-73	128.9	0	0	0	112.2	H220	H218-H220 PolarHBondContact O-N 3.39Å
219	V	33.4	Very low	34	Very low	134 Å²	134	129.7 Å²	129.7	81%	0.812	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	23.5	-167.2	-177.5	0	0	0	0	114.1
220	H	31.6	Very low	34.4	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.815	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.3	17.3	-172.8	-113.2	-73.6	0	0	0	117.7	H218 T222	H218-H220 PolarHBondContact O-N 3.39Å; H220-T222 PolarHBondContact O-N 3.42Å
221	C	31.8	Very low	34.5	Very low	112 Å²	112	132.3 Å²	132.3	76%	0.757	72%	0.72	S	S	*	*			trans	-86.9	105.1	176.2	-151.8	0	0	0	0	111
222	T	38.7	Very low	34.6	Very low	130 Å²	130	128.9 Å²	128.9	80%	0.798	71%	0.714	S	S	*	*			trans	-81.2	150.7	170.5	45	0	0	0	0	111.1	H220	H220-T222 PolarHBondContact O-N 3.42Å
223	I	33.7	Very low	34.6	Very low	166 Å²	166	131.5 Å²	131.5	85%	0.851	72%	0.718	S	S	*	*	S	Bend	trans	-73.6	124.5	-169.2	-62.7	159.5	0	0	0	110.8
224	E	34.9	Very low	34.5	Very low	189 Å²	189	131.4 Å²	131.4	88%	0.883	71%	0.711	S	S	*	*	S	Bend	trans	-174.5	-16.8	139.1	-106.4	168.5	-160.5	0	0	114.3
225	E	36.7	Very low	34.1	Very low	191 Å²	191	130.7 Å²	130.7	89%	0.893	70%	0.699	S	S	*	*			trans	-126.1	24.2	-174.5	-61.7	-170.4	147.1	0	0	116	Y227	E225-Y227 PolarHBondContact O-N 3.16Å
226	C	31.3	Very low	33.7	Very low	77 Å²	77	132.9 Å²	132.9	52%	0.52	71%	0.71	S	S	.	*			trans	-88	98.5	-175.7	-158.1	0	0	0	0	113.7	C228	C226-C228 PolarHBondContact O-N 2.93Å
227	Y	37.5	Very low	33.4	Very low	186 Å²	186	134.2 Å²	134.2	73%	0.729	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-62	-2.3	177.3	-131.1	-88.5	0	0	0	115.4	T15 E225 C229	T15-Y227 HydrophobicContact CG2-CE2 4.16Å; E225-Y227 PolarHBondContact O-N 3.16Å; Y227-C229 VanDerWaalsContact C-N 3.29Å; Y227-C229 PolarHBondContact O-N 3.32Å
228	C	35.6	Very low	33.2	Very low	117 Å²	117	134.9 Å²	134.9	79%	0.791	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-82.9	2.6	-176.9	-61.7	0	0	0	0	114.3	C226	C226-C228 PolarHBondContact O-N 2.93Å
229	C	36.1	Very low	32.9	Very low	91 Å²	91	131.5 Å²	131.5	62%	0.615	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-106.5	7	-170	-59.2	0	0	0	0	115.2	Y227	Y227-C229 VanDerWaalsContact C-N 3.29Å; Y227-C229 PolarHBondContact O-N 3.32Å
230	L	37.5	Very low	32.6	Very low	152 Å²	152	129.2 Å²	129.2	80%	0.796	72%	0.719	S	S	*	*	S	Bend	trans	-124.1	96.5	-179.4	-80.3	85.8	0	0	0	112.3
231	H	36.1	Very low	32.5	Very low	139 Å²	139	123.3 Å²	123.3	64%	0.644	70%	0.701	S	S	*	*			trans	20.4	149	141.5	-62.3	-125.1	0	0	0	121	Y167	Y167-H231 AromaticContact CD1-CE1 3.51Å; Y167-H231 AromaticContact CD1-ND1 3.49Å; Y167-H231 WeakPolarHBondContact CD1-ND1 3.33Å; Y167-H231 AromaticContact CE1-CE1 3.1Å; Y167-H231 WeakPolarHBondContact CE1-CE1 3Å; Y167-H231 AromaticContact CE1-ND1 3.48Å; Y167-H231 WeakPolarHBondContact CE1-ND1 3.08Å; Y167-H231 AromaticContact CE1-NE2 3.81Å; Y167-H231 AromaticContact CZ-CE1 3.86Å
232	G	31.4	Very low	32.3	Very low	49 Å²	49	124.9 Å²	124.9	51%	0.505	69%	0.692	S	S	.	*			cis	125.6	102.8	-3.9	0	0	0	0	0	115.5
233	F	31.8	Very low	32.1	Very low	129 Å²	129	123.1 Å²	123.1	57%	0.566	68%	0.681	S	S	*	*			trans	64.1	154.5	166.8	-90.4	-119	0	0	0	119.1
234	M	32.4	Very low	32.4	Very low	119 Å²	119	123.2 Å²	123.2	59%	0.586	68%	0.678	S	S	*	*			cis	-165.6	155	-34.6	-134.5	-172.7	169.9	0	0	113.8
235	D	28.7	Very low	32.9	Very low	89 Å²	89	116.1 Å²	116.1	48%	0.476	65%	0.648	S	S	.	*			trans	43	119	147.8	-66.6	-3.5	0	0	0	125.1
236	T	27.8	Very low	33.5	Very low	131 Å²	131	109.5 Å²	109.5	80%	0.804	62%	0.618	S	S	*	*				162.1	83.5	97.7	-54.9	0	0	0	0	114
237	V	27.5	Very low	34.8	Very low	137 Å²	137	110.8 Å²	110.8	83%	0.83	62%	0.615	S	S	*	*			trans	-143	109	157.2	-174.5	0	0	0	0	113.2	V239	V237-V239 PolarHBondContact O-N 2.91Å
238	I	29.1	Very low	36.1	Very low	156 Å²	156	102.6 Å²	102.6	80%	0.8	58%	0.583	S	S	*	*			trans	21.4	77.3	146.8	-42.7	-174.7	0	0	0	118.3	G240	I238-G240 PolarHBondContact O-N 3.15Å
239	V	27.2	Very low	37.3	Very low	92 Å²	92	102.1 Å²	102.1	56%	0.558	58%	0.581	S	S	*	*				10.3	105.3	124.1	-176	0	0	0	0	116.9	V237 A241	V237-V239 PolarHBondContact O-N 2.91Å; V239-A241 VanDerWaalsContact C-N 3.34Å; V239-A241 HydrophobicContact CG1-CB 3.35Å; V239-A241 PolarHBondContact O-N 3.01Å
240	G	27.4	Very low	38.5	Very low	86 Å²	86	103.1 Å²	103.1	89%	0.887	58%	0.581	S	S	*	*			trans	-92.1	57.3	156.8	0	0	0	0	0	111.7	I238	I238-G240 PolarHBondContact O-N 3.15Å
241	A	29.7	Very low	40.2	Very low	52 Å²	52	98.2 Å²	98.2	43%	0.43	56%	0.559	S	S	.	*			trans	-68.4	167.9	178.3	0	0	0	0	0	112	V239 T243	V239-A241 VanDerWaalsContact C-N 3.34Å; V239-A241 HydrophobicContact CG1-CB 3.35Å; V239-A241 PolarHBondContact O-N 3.01Å; A241-T243 PolarHBondContact O-N 3.29Å
242	Y	27.9	Very low	41.4	Very low	145 Å²	145	93.5 Å²	93.5	57%	0.569	55%	0.548	S	S	*	.			trans	-53.7	86.4	160.3	-58	-86.3	0	0	0	110.7	V406 L409	Y242-V406 HydrophobicContact CE1-CB 4.39Å; Y242-V406 HydrophobicContact CE1-CG1 3.52Å; Y242-V406 HydrophobicContact CE1-CG2 3.89Å; Y242-V406 VanDerWaalsContact OH-CG1 3.24Å; Y242-V406 WeakPolarHBondContact OH-CG1 3.34Å; Y242-L409 WeakPolarHBondContact OH-CD2 3.27Å
243	T	34.6	Very low	42.6	Very low	92 Å²	92	94.7 Å²	94.7	56%	0.564	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-81.8	128.4	160.6	55.4	0	0	0	0	107.5	A241	A241-T243 PolarHBondContact O-N 3.29Å
244	E	39.7	Very low	43.7	Very low	168 Å²	168	96 Å²	96	79%	0.785	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-47.9	142.3	158.5	-63.4	-175	148.3	0	0	109	I246	E244-I246 PolarHBondContact O-N 2.94Å
245	P	44.5	Very low	45	Very low	41 Å²	41	91.3 Å²	91.3	27%	0.266	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-53	127.8	-175.6	19.9	-32.5	0	0	0	110.3	F247 R254	P245-F247 HydrophobicContact CG-CE2 4.44Å; P245-F247 HydrophobicContact CG-CZ 4.33Å; P245-F247 WeakPolarHBondContact O-CD2 3.42Å; P245-F247 WeakPolarHBondContact O-CE2 3.41Å; P245-F247 PolarHBondContact O-N 3.4Å; P245-R254 HydrophobicContact CB-CB 4.18Å; P245-R254 HydrophobicContact CB-CG 4.43Å
246	I	49.4	Very low	45.8	Very low	51 Å²	51	93.9 Å²	93.9	26%	0.262	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.3	-171.6	-40.5	177.4	0	0	0	108.6	E244 Y255 K258 L261	E244-I246 PolarHBondContact O-N 2.94Å; I246-Y255 PolarHBondContact N-O 3.35Å; I246-Y255 PolarHBondContact O-N 3.17Å; I246-K258 HydrophobicContact CD1-CB 3.94Å; I246-K258 HydrophobicContact CD1-CG 4.49Å; I246-L261 HydrophobicContact CB-CD2 4.2Å; I246-L261 HydrophobicContact CG2-CD2 3.54Å
247	F	59.2	Low	47.1	Very low	104 Å²	104	91 Å²	91	46%	0.456	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.1	-178.5	-59.8	-95.4	0	0	0	111.3	P245 R254	P245-F247 HydrophobicContact CG-CE2 4.44Å; P245-F247 HydrophobicContact CG-CZ 4.33Å; P245-F247 WeakPolarHBondContact O-CD2 3.42Å; P245-F247 WeakPolarHBondContact O-CE2 3.41Å; P245-F247 PolarHBondContact O-N 3.4Å; F247-R254 HydrophobicContact CD1-CG 3.86Å; F247-R254 HydrophobicContact CE1-CG 3.77Å; F247-R254 VanDerWaalsContact CE1-NE 3.35Å
248	H	65.3	Low	48.5	Very low	14 Å²	14	92.1 Å²	92.1	7%	0.065	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-85.5	116.8	158.9	-169.2	-104.6	0	0	0	109.3	D250 C251 G252 M253 L261 H269	H248-D250 IonicContact CE1-OD2 3.92Å; H248-D250 PolarHBondContact O-N 2.96Å; H248-C251 PolarHBondContact ND1-SG 2.91Å; H248-C251 PolarHBondContact O-N 3.23Å; H248-G252 WeakPolarHBondContact O-CA 3.32Å; H248-G252 PolarHBondContact O-N 2.82Å; H248-M253 PolarHBondContact N-O 2.94Å; H248-L261 HydrophobicContact CB-CD1 3.78Å; H248-H269 AromaticContact CE1-CD2 3.13Å; H248-H269 PolarHBondContact CE1-CD2 3.27Å; H248-H269 AromaticContact CE1-CE1 3.84Å; H248-H269 AromaticContact CE1-CG 3.51Å; H248-H269 AromaticContact CE1-ND1 3.92Å; H248-H269 AromaticContact CE1-NE2 3.37Å; H248-H269 PolarHBondContact CE1-NE2 3.42Å; H248-H269 AromaticContact ND1-CD2 3.48Å; H248-H269 PolarHBondContact ND1-CD2 3.22Å; H248-H269 AromaticContact ND1-NE2 3.33Å; H248-H269 PolarHBondContact ND1-NE2 2.65Å; H248-H269 AromaticContact NE2-CD2 3.72Å
249	S	59.2	Low	50.4	Low	107 Å²	107	89.4 Å²	89.4	75%	0.748	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-35.8	-173.6	47.1	0	0	0	0	113.7
250	D	62.9	Low	52.2	Low	112 Å²	112	85.9 Å²	85.9	60%	0.599	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.8	-165.4	-48.9	-11.4	0	0	0	112.8	H248	H248-D250 IonicContact CE1-OD2 3.92Å; H248-D250 PolarHBondContact O-N 2.96Å
251	C	72.7	Confident	54.2	Low	49 Å²	49	82.7 Å²	82.7	33%	0.331	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-4.8	-179.3	72.9	0	0	0	0	114.8	H248 M253 H269	H248-C251 PolarHBondContact ND1-SG 2.91Å; H248-C251 PolarHBondContact O-N 3.23Å; C251-M253 HydrophobicContact CB-CG 4.48Å; C251-M253 PolarHBondContact O-N 2.98Å; C251-M253 VanDerWaalsContact SG-CG 3.52Å; C251-H269 PolarHBondContact SG-NE2 3.4Å
252	G	60.1	Low	56.1	Low	41 Å²	41	84.7 Å²	84.7	42%	0.423	44%	0.438	S	S	.	.			trans	73.4	-0.6	177.6	0	0	0	0	0	115.8	H248	H248-G252 WeakPolarHBondContact O-CA 3.32Å; H248-G252 PolarHBondContact O-N 2.82Å
253	M	57.5	Low	58	Low	74 Å²	74	81.7 Å²	81.7	37%	0.365	43%	0.427	S	S	.	.			trans	-66.2	135.3	-179.2	-65.8	-69.9	-95	0	0	111.3	H248 C251 Y255	H248-M253 PolarHBondContact N-O 2.94Å; C251-M253 HydrophobicContact CB-CG 4.48Å; C251-M253 PolarHBondContact O-N 2.98Å; C251-M253 VanDerWaalsContact SG-CG 3.52Å; M253-Y255 HydrophobicContact CB-CE2 3.66Å
254	R	54.3	Low	59.9	Low	155 Å²	155	78 Å²	78	59%	0.585	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	138	-178	-66.9	-178.2	-176.7	-138.7	-2.9	110.8	P245 F247	P245-R254 HydrophobicContact CB-CB 4.18Å; P245-R254 HydrophobicContact CB-CG 4.43Å; F247-R254 HydrophobicContact CD1-CG 3.86Å; F247-R254 HydrophobicContact CE1-CG 3.77Å; F247-R254 VanDerWaalsContact CE1-NE 3.35Å
255	Y	59.5	Low	61.4	Low	22 Å²	22	73 Å²	73	9%	0.086	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.5	177.5	-67.3	-80	0	0	0	112.4	I246 M253 T257 L261 H264	I246-Y255 PolarHBondContact N-O 3.35Å; I246-Y255 PolarHBondContact O-N 3.17Å; M253-Y255 HydrophobicContact CB-CE2 3.66Å; Y255-T257 PolarHBondContact O-N 3.02Å; Y255-L261 HydrophobicContact CD2-CB 3.97Å; Y255-L261 HydrophobicContact CD2-CD1 3.68Å; Y255-L261 HydrophobicContact CD2-CG 4.44Å; Y255-L261 HydrophobicContact CE2-CD1 4.12Å; Y255-L261 HydrophobicContact CG-CB 4.06Å; Y255-H264 HydrophobicContact CE1-CB 3.98Å; Y255-H264 HydrophobicContact CE2-CB 3.73Å; Y255-H264 AromaticContact CE2-CD2 3.68Å; Y255-H264 AromaticContact CE2-CG 3.69Å; Y255-H264 VanDerWaalsContact CZ-CB 3.41Å; Y255-H264 AromaticContact CZ-CD2 3.97Å; Y255-H264 AromaticContact CZ-CG 3.5Å; Y255-H264 VanDerWaalsContact CZ-CG 3.5Å; Y255-H264 AromaticContact CZ-ND1 3.96Å; Y255-H264 WeakPolarHBondContact OH-CB 3.49Å; Y255-H264 PolarHBondContact OH-CE1 3.47Å; Y255-H264 PolarHBondContact OH-ND1 3.09Å
256	K	45.9	Very low	62.7	Low	143 Å²	143	78.4 Å²	78.4	62%	0.622	40%	0.396	S	S	*	.	S	Bend	trans	-66	-23.2	174.2	-172	-179.7	174	-169.4	0	112.1	E426	K256-E426 IonicContact NZ-OE1 3.91Å; K256-E426 PolarHBondContact NZ-OE1 3.48Å
257	T	55.5	Low	63.6	Low	70 Å²	70	80.8 Å²	80.8	43%	0.429	41%	0.405	S	S	.	.	S	Bend	trans	-139.7	149.1	-177.1	75.5	0	0	0	0	112.9	Y255 G260 L261	Y255-T257 PolarHBondContact O-N 3.02Å; T257-G260 PolarHBondContact O-N 2.97Å; T257-G260 VanDerWaalsContact O-N 3.13Å; T257-G260 PolarHBondContact OG1-N 2.88Å; T257-L261 PolarHBondContact O-N 3.36Å
258	K	57	Low	63.9	Low	161 Å²	161	80.5 Å²	80.5	70%	0.7	41%	0.405	S	S	*	.	H	α-helix	trans	-62.3	-37.2	176.4	-168.4	173.8	-176.2	174.1	0	113.7	I246 G260 L261 H262	I246-K258 HydrophobicContact CD1-CB 3.94Å; I246-K258 HydrophobicContact CD1-CG 4.49Å; K258-G260 VanDerWaalsContact C-N 3.35Å; K258-L261 PolarHBondContact O-N 2.89Å; K258-H262 PolarHBondContact O-N 2.87Å
259	P	69.1	Low	64.1	Low	99 Å²	99	81.8 Å²	81.8	64%	0.643	41%	0.411	S	S	*	.	H	α-helix	trans	-59.9	-39.4	168.6	-26.8	37	0	0	0	113.6	H262 Y263	P259-H262 PolarHBondContact O-N 3.08Å; P259-Y263 PolarHBondContact O-N 2.99Å
260	G	65.8	Low	63.8	Low	17 Å²	17	80.2 Å²	80.2	18%	0.175	40%	0.4	C	S	.	.	H	α-helix	trans	-60.7	-45.5	176.1	0	0	0	0	0	112.8	T257 K258 H262 Y263 H264	T257-G260 PolarHBondContact O-N 2.97Å; T257-G260 VanDerWaalsContact O-N 3.13Å; T257-G260 PolarHBondContact OG1-N 2.88Å; K258-G260 VanDerWaalsContact C-N 3.35Å; G260-H262 PolarHBondContact O-N 3.06Å; G260-Y263 PolarHBondContact O-N 3.38Å; G260-H264 PolarHBondContact O-N 3.02Å
261	L	68.1	Low	63.1	Low	20 Å²	20	83.3 Å²	83.3	11%	0.105	41%	0.411	C	S	.	.	H	α-helix	trans	-61	-42.9	172.4	177.6	64.6	0	0	0	111.9	I246 H248 Y255 T257 K258 Y263 H264 M265	I246-L261 HydrophobicContact CB-CD2 4.2Å; I246-L261 HydrophobicContact CG2-CD2 3.54Å; H248-L261 HydrophobicContact CB-CD1 3.78Å; Y255-L261 HydrophobicContact CD2-CB 3.97Å; Y255-L261 HydrophobicContact CD2-CD1 3.68Å; Y255-L261 HydrophobicContact CD2-CG 4.44Å; Y255-L261 HydrophobicContact CE2-CD1 4.12Å; Y255-L261 HydrophobicContact CG-CB 4.06Å; T257-L261 PolarHBondContact O-N 3.36Å; K258-L261 PolarHBondContact O-N 2.89Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 2.8Å; L261-H264 PolarHBondContact O-N 3.39Å; L261-M265 HydrophobicContact CD1-CG 4.33Å; L261-M265 HydrophobicContact CG-CE 4.23Å; L261-M265 HydrophobicContact CG-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.47Å; L261-M265 WeakPolarHBondContact O-CG 3.22Å; L261-M265 PolarHBondContact O-N 3.05Å
262	H	69.3	Low	61.8	Low	93 Å²	93	83.9 Å²	83.9	43%	0.431	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-35.8	178.8	-166.8	-49	0	0	0	112.3	K258 P259 G260 M265 R266	K258-H262 PolarHBondContact O-N 2.87Å; P259-H262 PolarHBondContact O-N 3.08Å; G260-H262 PolarHBondContact O-N 3.06Å; H262-M265 HydrophobicContact CB-CE 4.43Å; H262-R266 PolarHBondContact CE1-NH2 3.45Å; H262-R266 VanDerWaalsContact CE1-NH2 3.28Å; H262-R266 WeakPolarHBondContact O-CB 3.43Å; H262-R266 PolarHBondContact O-N 3.38Å; H262-R266 VanDerWaalsContact O-N 3.17Å
263	Y	68	Low	61.1	Low	83 Å²	83	87.5 Å²	87.5	33%	0.325	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-48.4	171.4	-178.1	-92	0	0	0	110.5	P259 G260 L261 M265 R266 H267	P259-Y263 PolarHBondContact O-N 2.99Å; G260-Y263 PolarHBondContact O-N 3.38Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 2.8Å; Y263-M265 PolarHBondContact O-N 3.17Å; Y263-R266 PolarHBondContact O-N 3.19Å; Y263-H267 AromaticContact CD2-CD2 3.63Å; Y263-H267 AromaticContact CD2-NE2 3.89Å; Y263-H267 HydrophobicContact CE1-CB 4.46Å; Y263-H267 AromaticContact CE2-CD2 3.5Å; Y263-H267 VanDerWaalsContact CE2-CD2 3.5Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.41Å; Y263-H267 AromaticContact CE2-NE2 3.54Å; Y263-H267 AromaticContact CZ-CD2 3.79Å; Y263-H267 PolarHBondContact O-CD2 2.98Å; Y263-H267 VanDerWaalsContact O-CD2 3.28Å; Y263-H267 PolarHBondContact O-N 3.06Å
264	H	74.1	Confident	60.1	Low	15 Å²	15	94.8 Å²	94.8	7%	0.069	46%	0.457	C	S	.	.	H	α-helix	trans	-58.2	-49.6	178.2	175.5	69.2	0	0	0	113.2	Y255 G260 L261 R266 H267 H268 H269	Y255-H264 HydrophobicContact CE1-CB 3.98Å; Y255-H264 HydrophobicContact CE2-CB 3.73Å; Y255-H264 AromaticContact CE2-CD2 3.68Å; Y255-H264 AromaticContact CE2-CG 3.69Å; Y255-H264 VanDerWaalsContact CZ-CB 3.41Å; Y255-H264 AromaticContact CZ-CD2 3.97Å; Y255-H264 AromaticContact CZ-CG 3.5Å; Y255-H264 VanDerWaalsContact CZ-CG 3.5Å; Y255-H264 AromaticContact CZ-ND1 3.96Å; Y255-H264 WeakPolarHBondContact OH-CB 3.49Å; Y255-H264 PolarHBondContact OH-CE1 3.47Å; Y255-H264 PolarHBondContact OH-ND1 3.09Å; G260-H264 PolarHBondContact O-N 3.02Å; L261-H264 PolarHBondContact O-N 3.39Å; H264-R266 VanDerWaalsContact C-N 3.27Å; H264-R266 PolarHBondContact O-N 3.36Å; H264-H267 PolarHBondContact O-N 2.96Å; H264-H268 AromaticContact CE1-CD2 2.66Å; H264-H268 PolarHBondContact CE1-CD2 2.97Å; H264-H268 AromaticContact CE1-CG 3.25Å; H264-H268 AromaticContact CE1-NE2 3.4Å; H264-H268 PolarHBondContact CE1-NE2 3.5Å; H264-H268 AromaticContact ND1-CD2 3.38Å; H264-H268 PolarHBondContact ND1-CD2 3.18Å; H264-H268 AromaticContact ND1-CG 3.74Å; H264-H268 WeakPolarHBondContact NE2-CB 3.37Å; H264-H268 AromaticContact NE2-CG 3.78Å; H264-H268 PolarHBondContact O-N 2.79Å; H264-H269 AromaticContact CD2-CD2 3.79Å; H264-H269 AromaticContact NE2-NE2 3.72Å
265	M	71.6	Confident	59	Low	62 Å²	62	90.4 Å²	90.4	31%	0.305	46%	0.459	S	S	.	.	H	α-helix	trans	-56.4	-41.3	176.6	-70.4	-171	-62	0	0	112.1	L261 H262 Y263 H269	L261-M265 HydrophobicContact CD1-CG 4.33Å; L261-M265 HydrophobicContact CG-CE 4.23Å; L261-M265 HydrophobicContact CG-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.47Å; L261-M265 WeakPolarHBondContact O-CG 3.22Å; L261-M265 PolarHBondContact O-N 3.05Å; H262-M265 HydrophobicContact CB-CE 4.43Å; Y263-M265 PolarHBondContact O-N 3.17Å; M265-H269 CarbonylContact O-C 3.56Å; M265-H269 PolarHBondContact O-N 3.49Å
266	R	72.9	Confident	57.7	Low	155 Å²	155	98.5 Å²	98.5	59%	0.585	50%	0.498	S	S	*	.	H	α-helix	trans	-69.8	-35.1	-179.3	-175.7	-177.4	-71.7	153.9	-4.1	113.2	H262 Y263 H264	H262-R266 PolarHBondContact CE1-NH2 3.45Å; H262-R266 VanDerWaalsContact CE1-NH2 3.28Å; H262-R266 WeakPolarHBondContact O-CB 3.43Å; H262-R266 PolarHBondContact O-N 3.38Å; H262-R266 VanDerWaalsContact O-N 3.17Å; Y263-R266 PolarHBondContact O-N 3.19Å; H264-R266 VanDerWaalsContact C-N 3.27Å; H264-R266 PolarHBondContact O-N 3.36Å
267	H	67.8	Low	57	Low	101 Å²	101	99.7 Å²	99.7	47%	0.468	51%	0.51	S	S	.	.	H	α-helix	trans	-102.3	-27.7	-170.4	-74.1	-87.5	0	0	0	114.9	Y263 H264	Y263-H267 AromaticContact CD2-CD2 3.63Å; Y263-H267 AromaticContact CD2-NE2 3.89Å; Y263-H267 HydrophobicContact CE1-CB 4.46Å; Y263-H267 AromaticContact CE2-CD2 3.5Å; Y263-H267 VanDerWaalsContact CE2-CD2 3.5Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.41Å; Y263-H267 AromaticContact CE2-NE2 3.54Å; Y263-H267 AromaticContact CZ-CD2 3.79Å; Y263-H267 PolarHBondContact O-CD2 2.98Å; Y263-H267 VanDerWaalsContact O-CD2 3.28Å; Y263-H267 PolarHBondContact O-N 3.06Å; H264-H267 PolarHBondContact O-N 2.96Å
268	H	65.9	Low	55.7	Low	97 Å²	97	102 Å²	102	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-113.3	-15.1	-179.4	-61.5	-87.4	0	0	0	114.1	H264	H264-H268 AromaticContact CE1-CD2 2.66Å; H264-H268 PolarHBondContact CE1-CD2 2.97Å; H264-H268 AromaticContact CE1-CG 3.25Å; H264-H268 AromaticContact CE1-NE2 3.4Å; H264-H268 PolarHBondContact CE1-NE2 3.5Å; H264-H268 AromaticContact ND1-CD2 3.38Å; H264-H268 PolarHBondContact ND1-CD2 3.18Å; H264-H268 AromaticContact ND1-CG 3.74Å; H264-H268 WeakPolarHBondContact NE2-CB 3.37Å; H264-H268 AromaticContact NE2-CG 3.78Å; H264-H268 PolarHBondContact O-N 2.79Å
269	H	68.4	Low	54.4	Low	41 Å²	41	101 Å²	101	19%	0.19	54%	0.536	C	S	.	.			trans	-122.7	34.7	178.4	-64.9	-66.4	0	0	0	112.9	H248 C251 H264 M265 E271 A272	H248-H269 AromaticContact CE1-CD2 3.13Å; H248-H269 PolarHBondContact CE1-CD2 3.27Å; H248-H269 AromaticContact CE1-CE1 3.84Å; H248-H269 AromaticContact CE1-CG 3.51Å; H248-H269 AromaticContact CE1-ND1 3.92Å; H248-H269 AromaticContact CE1-NE2 3.37Å; H248-H269 PolarHBondContact CE1-NE2 3.42Å; H248-H269 AromaticContact ND1-CD2 3.48Å; H248-H269 PolarHBondContact ND1-CD2 3.22Å; H248-H269 AromaticContact ND1-NE2 3.33Å; H248-H269 PolarHBondContact ND1-NE2 2.65Å; H248-H269 AromaticContact NE2-CD2 3.72Å; C251-H269 PolarHBondContact SG-NE2 3.4Å; H264-H269 AromaticContact CD2-CD2 3.79Å; H264-H269 AromaticContact NE2-NE2 3.72Å; M265-H269 CarbonylContact O-C 3.56Å; M265-H269 PolarHBondContact O-N 3.49Å; H269-E271 PolarHBondContact O-N 3.33Å; H269-A272 HydrophobicContact CB-CB 4.45Å; H269-A272 PolarHBondContact O-N 2.82Å
270	S	53.2	Low	52.5	Low	75 Å²	75	101.3 Å²	101.3	52%	0.524	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.3	-175.8	53	0	0	0	0	115.3
271	E	49.5	Very low	51	Low	176 Å²	176	107.7 Å²	107.7	82%	0.822	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-28.2	173.3	-60.8	-159.4	136.7	0	0	113.9	H269 V273 R274	H269-E271 PolarHBondContact O-N 3.33Å; E271-V273 PolarHBondContact O-N 3.07Å; E271-R274 PolarHBondContact O-N 3.5Å
272	A	45.4	Very low	49.2	Very low	61 Å²	61	113.7 Å²	113.7	50%	0.504	61%	0.608	S	S	.	*	G	3₁₀ helix	trans	-69.5	-32.4	-176.9	0	0	0	0	0	112.8	H269 R274 G275	H269-A272 HydrophobicContact CB-CB 4.45Å; H269-A272 PolarHBondContact O-N 2.82Å; A272-R274 PolarHBondContact O-N 2.92Å; A272-R274 VanDerWaalsContact O-N 3.13Å; A272-G275 PolarHBondContact O-N 3.3Å
273	V	43.8	Very low	47.6	Very low	118 Å²	118	114 Å²	114	72%	0.715	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-78	6.9	-177.1	-169	0	0	0	0	112.9	E271	E271-V273 PolarHBondContact O-N 3.07Å
274	R	36.8	Very low	46	Very low	227 Å²	227	115.7 Å²	115.7	86%	0.857	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-104.6	1.5	176.1	-69	-172.1	175.5	-161.8	-0	114.8	E271 A272	E271-R274 PolarHBondContact O-N 3.5Å; A272-R274 PolarHBondContact O-N 2.92Å; A272-R274 VanDerWaalsContact O-N 3.13Å
275	G	31.9	Very low	44.1	Very low	62 Å²	62	122 Å²	122	64%	0.639	68%	0.681	S	S	*	*	S	Bend	trans	-82.8	-32.2	-171.1	0	0	0	0	0	117.1	A272 L277	A272-G275 PolarHBondContact O-N 3.3Å; G275-L277 PolarHBondContact O-N 3.16Å
276	E	30.9	Very low	42.2	Very low	192 Å²	192	127 Å²	127	90%	0.897	71%	0.709	S	S	*	*	S	Bend	trans	-103.2	77.9	-170.4	-67.6	-163.8	143.7	0	0	113.6
277	L	32.2	Very low	40.5	Very low	168 Å²	168	125.5 Å²	125.5	88%	0.88	72%	0.719	S	S	*	*			trans	-178.1	81.1	147.9	-101.4	161	0	0	0	110.2	G275 V279	G275-L277 PolarHBondContact O-N 3.16Å; L277-V279 PolarHBondContact O-N 2.7Å
278	S	27.5	Very low	38.8	Very low	119 Å²	119	123.9 Å²	123.9	83%	0.832	73%	0.73	S	S	*	*			trans	-81	108.7	177.4	45.4	0	0	0	0	112.5
279	V	31	Very low	37.2	Very low	140 Å²	140	124.5 Å²	124.5	85%	0.848	75%	0.745	S	S	*	*			trans	-139.4	127.5	151	-175.6	0	0	0	0	109.2	L277	L277-V279 PolarHBondContact O-N 2.7Å
280	S	28.3	Very low	35.5	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	77%	0.773	S	S	*	*			trans	-84.1	146.3	-169.2	44.5	0	0	0	0	115.4
281	V	34.4	Very low	34.5	Very low	152 Å²	152	130.7 Å²	130.7	92%	0.921	78%	0.783	S	S	*	*			trans	-144.4	141	135.9	-175.7	0	0	0	0	107.9
282	D	29.3	Very low	33.6	Very low	146 Å²	146	129.3 Å²	129.3	78%	0.781	79%	0.787	S	S	*	*			trans	-108.9	-166.6	-162.9	-149.3	14.9	0	0	0	112
283	P	36.6	Very low	32.8	Very low	100 Å²	100	135.9 Å²	135.9	65%	0.649	80%	0.804	S	S	*	*				-126.8	175.8	-115.4	41.7	-23.5	0	0	0	115.4
284	S	33.7	Very low	32.2	Very low	117 Å²	117	137.4 Å²	137.4	82%	0.818	81%	0.813	S	S	*	*			trans	166.2	137.7	155.8	-78.3	0	0	0	0	107.6
285	V	35.8	Very low	31.7	Very low	147 Å²	147	130.6 Å²	130.6	89%	0.891	81%	0.806	S	S	*	*			cis	-144.9	163.3	42.2	170.1	0	0	0	0	111.3
286	L	31.7	Very low	31.6	Very low	167 Å²	167	133.1 Å²	133.1	87%	0.874	81%	0.813	S	S	*	*			trans	-81.9	172.5	-162.5	-79.4	157.4	0	0	0	118
287	P	36.4	Very low	31.5	Very low	124 Å²	124	129.1 Å²	129.1	81%	0.805	81%	0.813	S	S	*	*			trans	-118.7	-170.8	-163.8	45.5	-35.9	0	0	0	115.7
288	G	32.2	Very low	31.3	Very low	67 Å²	67	125 Å²	125	69%	0.691	81%	0.812	S	S	*	*			trans	-170.6	124.8	159.8	0	0	0	0	0	111.6
289	S	32	Very low	31.4	Very low	111 Å²	111	124.5 Å²	124.5	78%	0.776	81%	0.814	S	S	*	*				80.9	132.5	84.4	-147.7	0	0	0	0	112.3
290	T	33.7	Very low	31.2	Very low	127 Å²	127	121 Å²	121	78%	0.779	81%	0.807	S	S	*	*			cis	-161.6	158.3	4.5	-5.8	0	0	0	0	112.4
291	T	30.5	Very low	31.2	Very low	119 Å²	119	124.4 Å²	124.4	73%	0.73	82%	0.815	S	S	*	*			trans	-45.9	157.3	168	51.4	0	0	0	0	118.1
292	T	32.2	Very low	30.8	Very low	146 Å²	146	121.2 Å²	121.2	90%	0.896	80%	0.804	S	S	*	*				-166.8	148.9	115.1	11.9	0	0	0	0	114.3
293	K	27	Very low	30.9	Very low	199 Å²	199	122.7 Å²	122.7	87%	0.865	81%	0.812	S	S	*	*			trans	-99.6	150.9	175.8	-56.1	168.6	175.9	176.9	0	110.4
294	V	31.3	Very low	30.6	Very low	150 Å²	150	122.2 Å²	122.2	91%	0.909	81%	0.81	S	S	*	*			trans	-146.9	150.2	142.9	-174.4	0	0	0	0	109.1
295	A	26.8	Very low	30.5	Very low	85 Å²	85	124.3 Å²	124.3	70%	0.702	81%	0.807	S	S	*	*			trans	-121.4	-168	-176.8	0	0	0	0	0	112.4
296	S	30.3	Very low	30.4	Very low	114 Å²	114	124 Å²	124	80%	0.797	80%	0.796	S	S	*	*			trans	95.9	106.8	161.6	76.3	0	0	0	0	120
297	A	28.5	Very low	30.3	Very low	109 Å²	109	122.4 Å²	122.4	90%	0.901	79%	0.788	S	S	*	*				45.3	131.8	121.4	0	0	0	0	0	122
298	G	28.6	Very low	30	Very low	82 Å²	82	122.9 Å²	122.9	85%	0.845	79%	0.788	S	S	*	*			trans	-175.9	110.2	164.6	0	0	0	0	0	112.8
299	A	28.6	Very low	29.9	Very low	107 Å²	107	125.4 Å²	125.4	88%	0.884	79%	0.793	S	S	*	*			trans	-73.1	151.9	-167.8	0	0	0	0	0	117.3
300	G	27	Very low	29.8	Very low	67 Å²	67	131 Å²	131	69%	0.691	80%	0.798	S	S	*	*				96.1	124.5	123.1	0	0	0	0	0	119.8
301	I	28.8	Very low	29.5	Very low	176 Å²	176	129.9 Å²	129.9	90%	0.903	79%	0.792	S	S	*	*				177.9	144.8	111.7	-87.5	157.2	0	0	0	108.6
302	A	26.6	Very low	29.5	Very low	85 Å²	85	130 Å²	130	70%	0.702	80%	0.797	S	S	*	*			trans	-111	160.6	-176.3	0	0	0	0	0	112.4
303	L	29.9	Very low	29.2	Very low	178 Å²	178	126.5 Å²	126.5	93%	0.932	78%	0.783	S	S	*	*			trans	-152.7	168	148.1	-134	75.2	0	0	0	110.3
304	S	30.7	Very low	29.2	Very low	89 Å²	89	127 Å²	127	62%	0.622	78%	0.779	S	S	*	*			trans	-137.2	-177.7	-140.5	53.8	0	0	0	0	116.1
305	Q	32.6	Very low	29.1	Very low	161 Å²	161	129.5 Å²	129.5	75%	0.752	77%	0.772	S	S	*	*			trans	83.2	146.3	158.9	-70.7	160.2	-5.2	0	0	117.7
306	H	33.7	Very low	29.1	Very low	140 Å²	140	131.7 Å²	131.7	65%	0.648	78%	0.78	S	S	*	*			cis	-148.3	144.9	11.2	-112.2	-68.6	0	0	0	112.6
307	D	28.9	Very low	28.9	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	78%	0.775	S	S	*	*			trans	24.3	161.3	147.9	-42.6	-28.7	0	0	0	123.3
308	V	29.6	Very low	28.9	Very low	134 Å²	134	130.7 Å²	130.7	81%	0.812	77%	0.774	S	S	*	*			cis	-154.8	146.6	25.5	-167.5	0	0	0	0	111.4
309	P	30.3	Very low	28.8	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	77%	0.774	S	S	*	*			trans	-126.3	149.4	160.7	37.4	-25.3	0	0	0	115.2
310	Y	29.4	Very low	28.9	Very low	229 Å²	229	134 Å²	134	90%	0.898	77%	0.772	S	S	*	*			trans	-118.8	152.6	171.1	-173.4	-96.7	0	0	0	111.2
311	T	27.6	Very low	28.9	Very low	104 Å²	104	136 Å²	136	64%	0.638	78%	0.775	S	S	*	*			trans	-130.9	165.3	-159.4	56.4	0	0	0	0	115.3
312	S	30.2	Very low	28.9	Very low	120 Å²	120	137.5 Å²	137.5	84%	0.839	78%	0.775	S	S	*	*			trans	83.7	146.2	160.3	-119.9	0	0	0	0	117.3
313	A	27.5	Very low	28.9	Very low	73 Å²	73	144.9 Å²	144.9	60%	0.603	79%	0.785	S	S	*	*			cis	-162.7	167.9	10.7	0	0	0	0	0	114.7
314	R	26.7	Very low	29.1	Very low	210 Å²	210	141.9 Å²	141.9	79%	0.792	78%	0.779	S	S	*	*			trans	77.7	144.9	158.8	-59.9	175.3	-177.8	-146.2	-0.7	117.3
315	R	27.8	Very low	29.1	Very low	202 Å²	202	145.1 Å²	145.1	76%	0.762	79%	0.789	S	S	*	*			cis	-158.3	152.4	-4.6	-113.9	170.9	-166.6	-135.5	4.8	109
316	P	26.9	Very low	29.1	Very low	131 Å²	131	146.2 Å²	146.2	85%	0.851	80%	0.795	S	S	*	*			trans	-89.1	151.9	-179.5	35	-34.2	0	0	0	114.1
317	G	26.3	Very low	28.8	Very low	69 Å²	69	146.8 Å²	146.8	71%	0.711	80%	0.803	S	S	*	*			trans	-123.6	158.4	170.7	0	0	0	0	0	111.5
318	P	29.9	Very low	29	Very low	133 Å²	133	146.8 Å²	146.8	86%	0.864	81%	0.808	S	S	*	*			trans	-86.5	145.2	-151.8	32.7	-36.3	0	0	0	115.2
319	S	25.7	Very low	29.1	Very low	122 Å²	122	147 Å²	147	85%	0.853	81%	0.809	S	S	*	*			trans	-78.2	133.9	170.5	30.7	0	0	0	0	112.2
320	T	30.5	Very low	29.3	Very low	138 Å²	138	145.2 Å²	145.2	85%	0.847	81%	0.813	S	S	*	*			trans	-114.5	122.2	158.8	42.1	0	0	0	0	109
321	S	27.8	Very low	30.1	Very low	107 Å²	107	137 Å²	137	75%	0.748	80%	0.797	S	S	*	*			trans	-86.7	126	-174.4	54.6	0	0	0	0	111.8
322	F	28.5	Very low	31.8	Very low	208 Å²	208	138.2 Å²	138.2	91%	0.912	81%	0.807	S	S	*	*			trans	-120.7	135	148.6	-87.8	-85.6	0	0	0	109.3
323	R	27	Very low	33.8	Very low	240 Å²	240	135.9 Å²	135.9	91%	0.906	79%	0.788	S	S	*	*			trans	-76.5	134.2	-171.4	-65.3	172.2	173.9	170.6	-4.5	109.6
324	S	32.5	Very low	36.4	Very low	115 Å²	115	141 Å²	141	80%	0.804	80%	0.799	S	S	*	*			trans	-106.8	126.4	156.3	-166.6	0	0	0	0	107
325	D	32	Very low	39.2	Very low	157 Å²	157	135.4 Å²	135.4	84%	0.84	79%	0.788	S	S	*	*			trans	-71	131.6	-175.1	-83.8	-42.7	0	0	0	111.3
326	Q	32.3	Very low	42	Very low	184 Å²	184	127.3 Å²	127.3	86%	0.86	76%	0.763	S	S	*	*			trans	-83	118.3	179.9	-63	172.9	1.2	0	0	110
327	N	27.9	Very low	45	Very low	153 Å²	153	125.5 Å²	125.5	82%	0.818	75%	0.753	S	S	*	*			trans	-163.1	82.8	146.3	-129.2	-6.4	0	0	0	115.1
328	T	32.8	Very low	48	Very low	134 Å²	134	125.8 Å²	125.8	82%	0.822	74%	0.737	S	S	*	*			trans	-153.4	140.5	141.9	1.5	0	0	0	0	110.6
329	T	31.8	Very low	50.9	Low	137 Å²	137	119.4 Å²	119.4	84%	0.84	70%	0.696	S	S	*	*			trans	-85.1	111.3	-167.3	46.9	0	0	0	0	113.1	G331	T329-G331 PolarHBondContact O-N 3.02Å
330	G	35	Very low	53.9	Low	83 Å²	83	116.4 Å²	116.4	86%	0.856	67%	0.67	S	S	*	*			trans	-89.2	95.2	177.3	0	0	0	0	0	114
331	G	45	Very low	56.6	Low	56 Å²	56	115.1 Å²	115.1	58%	0.577	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-77.3	172.4	153.6	0	0	0	0	0	111.1	T329 V333	T329-G331 PolarHBondContact O-N 3.02Å; G331-V333 PolarHBondContact O-N 3.05Å
332	P	63.2	Low	59.6	Low	131 Å²	131	111.1 Å²	111.1	85%	0.851	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-61.7	127.9	171.8	27.1	-33.3	0	0	0	110.1	E334	P332-E334 PolarHBondContact O-N 3.26Å
333	V	73.6	Confident	62.4	Low	70 Å²	70	106.2 Å²	106.2	42%	0.424	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-65.5	126.4	179.6	-179.9	0	0	0	0	109.7	G331 V335	G331-V333 PolarHBondContact O-N 3.05Å; V333-V335 PolarHBondContact O-N 3.25Å
334	E	81.2	Confident	65.3	Low	182 Å²	182	94.9 Å²	94.9	85%	0.85	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-71.4	116.7	175.4	-68.6	-167.9	159.9	0	0	110.3	P332	P332-E334 PolarHBondContact O-N 3.26Å
335	V	86.6	Confident	68	Low	92 Å²	92	92.3 Å²	92.3	56%	0.558	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-84.9	128.3	-179.2	173.4	0	0	0	0	110.3	V333 S360 G365	V333-V335 PolarHBondContact O-N 3.25Å; V335-S360 VanDerWaalsContact CG1-CB 3.49Å; V335-S360 WeakPolarHBondContact CG1-OG 3.42Å; V335-G365 WeakPolarHBondContact CA-O 3.4Å
336	S	86.4	Confident	70.8	Confident	32 Å²	32	88 Å²	88	22%	0.224	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-67.9	137.5	177.2	50.9	0	0	0	0	112.2	I338 G365 R366 S367	S336-I338 VanDerWaalsContact C-N 3.29Å; S336-G365 PolarHBondContact N-O 3.08Å; S336-G365 PolarHBondContact OG-O 3.46Å; S336-G365 VanDerWaalsContact OG-O 3.09Å; S336-R366 WeakPolarHBondContact OG-CA 3.24Å; S336-S367 PolarHBondContact O-OG 3.2Å; S336-S367 WeakPolarHBondContact OG-CB 3.36Å; S336-S367 PolarHBondContact OG-N 2.72Å; S336-S367 PolarHBondContact OG-OG 3.17Å
337	S	88.2	Confident	73.5	Confident	92 Å²	92	85 Å²	85	64%	0.643	52%	0.516	S	S	*	.	S	Bend	trans	-88.5	6.8	175.8	54.5	0	0	0	0	113.9	L358	S337-L358 VanDerWaalsContact C-CD1 3.45Å; S337-L358 WeakPolarHBondContact O-CD1 3.43Å
338	I	90.3	Very high	76.4	Confident	75 Å²	75	82.5 Å²	82.5	39%	0.385	50%	0.5	S	S	.	.	S	Bend	trans	-131.9	151.7	-175.2	59.8	173.2	0	0	0	110.6	S336 G344	S336-I338 VanDerWaalsContact C-N 3.29Å; I338-G344 CarbonylContact C-O 3.58Å; I338-G344 WeakPolarHBondContact CA-O 3.38Å
339	C	91.7	Very high	79.2	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-80	125.1	173.6	173.1	0	0	0	0	111.1	L341 L343 G344 L358 S367 H369	C339-L341 PolarHBondContact O-N 3.35Å; C339-L341 VanDerWaalsContact O-N 3.15Å; C339-L341 PolarHBondContact SG-N 3.33Å; C339-L341 VanDerWaalsContact SG-N 3.38Å; C339-L343 WeakPolarHBondContact O-CA 3.38Å; C339-L343 PolarHBondContact O-N 2.93Å; C339-G344 PolarHBondContact N-O 3.39Å; C339-L358 HydrophobicContact CB-CD2 3.72Å; C339-S367 CarbonylContact C-O 3.58Å; C339-S367 WeakPolarHBondContact CA-O 3.32Å; C339-H369 VanDerWaalsContact CB-ND1 3.29Å; C339-H369 WeakPolarHBondContact CB-ND1 3.3Å
340	D	87.8	Confident	81.8	Confident	58 Å²	58	75 Å²	75	31%	0.31	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.1	177.7	-83.1	-11.8	0	0	0	113.9	R366 S367	D340-R366 WeakPolarHBondContact OD2-CB 3.24Å; D340-R366 WeakPolarHBondContact OD2-CD 3.46Å; D340-R366 VanDerWaalsContact OD2-CG 3.24Å; D340-R366 WeakPolarHBondContact OD2-CG 3.32Å; D340-R366 IonicContact OD2-NE 3.61Å; D340-S367 PolarHBondContact N-O 3.22Å
341	L	88	Confident	84.2	Confident	112 Å²	112	77.1 Å²	77.1	59%	0.586	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-36.2	-174.5	-64.1	170	0	0	0	113.9	C339 C372 L373	C339-L341 PolarHBondContact O-N 3.35Å; C339-L341 VanDerWaalsContact O-N 3.15Å; C339-L341 PolarHBondContact SG-N 3.33Å; C339-L341 VanDerWaalsContact SG-N 3.38Å; L341-C372 HydrophobicContact CB-CB 4.01Å; L341-C372 HydrophobicContact CD1-CB 3.81Å; L341-C372 WeakPolarHBondContact CD1-O 3.41Å; L341-L373 HydrophobicContact CD1-CD2 3.94Å; L341-L373 HydrophobicContact CD1-CG 4.38Å
342	C	90.3	Very high	86.2	Confident	22 Å²	22	77 Å²	77	15%	0.149	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-5.7	-178.5	78	0	0	0	0	114.1	G344 N349 K350 K351 H369	C342-G344 PolarHBondContact O-N 3.33Å; C342-G344 VanDerWaalsContact O-N 3.13Å; C342-G344 PolarHBondContact SG-N 3.05Å; C342-G344 VanDerWaalsContact SG-N 3.41Å; C342-N349 PolarHBondContact SG-OD1 3.03Å; C342-N349 VanDerWaalsContact SG-OD1 3.35Å; C342-K350 HydrophobicContact CB-CB 4.28Å; C342-K350 WeakPolarHBondContact O-CD 3.32Å; C342-K351 HydrophobicContact CB-CB 4.48Å; C342-H369 PolarHBondContact SG-ND1 3.34Å
343	L	87.8	Confident	87.4	Confident	106 Å²	106	76.5 Å²	76.5	56%	0.555	41%	0.408	S	S	*	.			trans	56.1	22.1	-174.9	-51.1	176.9	0	0	0	113.8	C339 K350	C339-L343 WeakPolarHBondContact O-CA 3.38Å; C339-L343 PolarHBondContact O-N 2.93Å; L343-K350 WeakPolarHBondContact O-CE 3.27Å; L343-K350 PolarHBondContact O-NZ 3.21Å
344	G	87.1	Confident	88	Confident	2 Å²	2	79.8 Å²	79.8	2%	0.021	42%	0.417	C	S	.	.			trans	-88.5	157.9	172.5	0	0	0	0	0	112.1	I338 C339 C342 E348	I338-G344 CarbonylContact C-O 3.58Å; I338-G344 WeakPolarHBondContact CA-O 3.38Å; C339-G344 PolarHBondContact N-O 3.39Å; C342-G344 PolarHBondContact O-N 3.33Å; C342-G344 VanDerWaalsContact O-N 3.13Å; C342-G344 PolarHBondContact SG-N 3.05Å; C342-G344 VanDerWaalsContact SG-N 3.41Å; G344-E348 CarbonylContact C-O 3.34Å; G344-E348 WeakPolarHBondContact CA-O 3.46Å
345	D	89.9	Confident	88.4	Confident	60 Å²	60	76.1 Å²	76.1	32%	0.321	41%	0.408	S	S	.	.			trans	-98.1	-167	177.2	72.5	-7.1	0	0	0	111	N347 E348 H369	D345-N347 PolarHBondContact O-N 3.39Å; D345-N347 WeakPolarHBondContact OD1-CA 3.05Å; D345-N347 WeakPolarHBondContact OD1-CB 3.35Å; D345-N347 PolarHBondContact OD1-N 3.29Å; D345-N347 PolarHBondContact OD2-ND2 2.93Å; D345-E348 PolarHBondContact N-O 2.71Å; D345-E348 PolarHBondContact OD1-N 2.74Å; D345-H369 PolarHBondContact O-CE1 3.3Å; D345-H369 PolarHBondContact O-NE2 3.09Å
346	V	90.1	Very high	88.5	Confident	68 Å²	68	73.6 Å²	73.6	41%	0.412	39%	0.391	S	S	.	.	S	Bend	trans	-65.6	-24.3	176.1	-179.5	0	0	0	0	112.8	P355 E356 L358	V346-P355 WeakPolarHBondContact O-CA 3.4Å; V346-E356 WeakPolarHBondContact CA-O 3.45Å; V346-E356 PolarHBondContact O-N 3.09Å; V346-E356 VanDerWaalsContact O-N 3.12Å; V346-L358 HydrophobicContact CG2-CB 4.43Å; V346-L358 HydrophobicContact CG2-CD1 3.82Å; V346-L358 HydrophobicContact CG2-CG 3.97Å
347	N	89.7	Confident	88.6	Confident	120 Å²	120	78 Å²	78	64%	0.642	41%	0.408	S	S	*	.	S	Bend	trans	-84.2	-31.9	-176.3	-54.1	-65.6	0	0	0	112.1	D345 P355	D345-N347 PolarHBondContact O-N 3.39Å; D345-N347 WeakPolarHBondContact OD1-CA 3.05Å; D345-N347 WeakPolarHBondContact OD1-CB 3.35Å; D345-N347 PolarHBondContact OD1-N 3.29Å; D345-N347 PolarHBondContact OD2-ND2 2.93Å; N347-P355 WeakPolarHBondContact O-CA 3.38Å; N347-P355 WeakPolarHBondContact O-CB 3.37Å
348	E	88.7	Confident	88.8	Confident	100 Å²	100	75.1 Å²	75.1	47%	0.467	39%	0.385	S	S	.	.			trans	-143.4	106.1	-178.7	-173.6	176.3	-142.5	0	0	112.4	G344 D345 K350	G344-E348 CarbonylContact C-O 3.34Å; G344-E348 WeakPolarHBondContact CA-O 3.46Å; D345-E348 PolarHBondContact N-O 2.71Å; D345-E348 PolarHBondContact OD1-N 2.74Å; E348-K350 PolarHBondContact O-N 2.95Å
349	N	90.3	Very high	88.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-76.2	109.1	160.3	178	-9	0	0	0	109.8	C342 K351 T352 N353 K354 E356 H369 S371 C372	C342-N349 PolarHBondContact SG-OD1 3.03Å; C342-N349 VanDerWaalsContact SG-OD1 3.35Å; N349-K351 PolarHBondContact O-N 3.39Å; N349-K351 WeakPolarHBondContact OD1-CB 3.41Å; N349-K351 PolarHBondContact OD1-N 2.98Å; N349-T352 WeakPolarHBondContact CB-OG1 3.47Å; N349-T352 PolarHBondContact ND2-OG1 2.75Å; N349-T352 PolarHBondContact O-N 2.89Å; N349-T352 VanDerWaalsContact O-N 3.09Å; N349-N353 WeakPolarHBondContact O-CA 3.31Å; N349-N353 PolarHBondContact O-N 3.03Å; N349-K354 WeakPolarHBondContact CB-O 3.48Å; N349-K354 PolarHBondContact N-O 2.78Å; N349-E356 HydrophobicContact CB-CB 4.31Å; N349-E356 PolarHBondContact ND2-OE2 2.81Å; N349-H369 WeakPolarHBondContact ND2-CB 3.41Å; N349-S371 PolarHBondContact ND2-OG 2.84Å; N349-C372 PolarHBondContact OD1-SG 3.39Å
350	K	86.4	Confident	88.7	Confident	113 Å²	113	74.2 Å²	74.2	49%	0.491	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.4	-177.6	-53.5	-170.9	-164.3	155.5	0	115.4	C342 L343 E348	C342-K350 HydrophobicContact CB-CB 4.28Å; C342-K350 WeakPolarHBondContact O-CD 3.32Å; L343-K350 WeakPolarHBondContact O-CE 3.27Å; L343-K350 PolarHBondContact O-NZ 3.21Å; E348-K350 PolarHBondContact O-N 2.95Å
351	K	86.3	Confident	88.9	Confident	128 Å²	128	71.6 Å²	71.6	56%	0.557	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-30.3	174.1	-169.6	-177.5	177.7	-170.7	0	112.2	C342 N349 S371	C342-K351 HydrophobicContact CB-CB 4.48Å; N349-K351 PolarHBondContact O-N 3.39Å; N349-K351 WeakPolarHBondContact OD1-CB 3.41Å; N349-K351 PolarHBondContact OD1-N 2.98Å; K351-S371 PolarHBondContact NZ-O 3.22Å
352	T	87.4	Confident	89.1	Confident	55 Å²	55	68.8 Å²	68.8	34%	0.337	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-9.4	-175.1	61.4	0	0	0	0	113.8	N349 K354 S371	N349-T352 WeakPolarHBondContact CB-OG1 3.47Å; N349-T352 PolarHBondContact ND2-OG1 2.75Å; N349-T352 PolarHBondContact O-N 2.89Å; N349-T352 VanDerWaalsContact O-N 3.09Å; T352-K354 VanDerWaalsContact C-N 3.26Å; T352-K354 PolarHBondContact O-N 3.02Å; T352-S371 WeakPolarHBondContact CG2-OG 3.45Å
353	N	87.6	Confident	88.9	Confident	119 Å²	119	71.4 Å²	71.4	64%	0.636	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	41	-174.6	-58.5	-25	0	0	0	113	N349	N349-N353 WeakPolarHBondContact O-CA 3.31Å; N349-N353 PolarHBondContact O-N 3.03Å
354	K	87.1	Confident	88.9	Confident	140 Å²	140	67.7 Å²	67.7	61%	0.609	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-133.6	151	179.5	-70.3	174.9	-175.5	177.5	0	110.6	N349 T352	N349-K354 WeakPolarHBondContact CB-O 3.48Å; N349-K354 PolarHBondContact N-O 2.78Å; T352-K354 VanDerWaalsContact C-N 3.26Å; T352-K354 PolarHBondContact O-N 3.02Å
355	P	88.9	Confident	89.1	Confident	104 Å²	104	67.7 Å²	67.7	68%	0.675	36%	0.355	S	S	*	.			trans	-65.8	133.2	167.3	27.9	-33.6	0	0	0	109.8	V346 N347	V346-P355 WeakPolarHBondContact O-CA 3.4Å; N347-P355 WeakPolarHBondContact O-CA 3.38Å; N347-P355 WeakPolarHBondContact O-CB 3.37Å
356	E	88.8	Confident	89.1	Confident	39 Å²	39	66.9 Å²	66.9	18%	0.182	35%	0.347	C	S	.	.			trans	-150.7	134.4	-176.2	-166.4	179	168.7	0	0	109.3	V346 N349 H369 P370 S371	V346-E356 WeakPolarHBondContact CA-O 3.45Å; V346-E356 PolarHBondContact O-N 3.09Å; V346-E356 VanDerWaalsContact O-N 3.12Å; N349-E356 HydrophobicContact CB-CB 4.31Å; N349-E356 PolarHBondContact ND2-OE2 2.81Å; E356-H369 HydrophobicContact CG-CB 4.34Å; E356-H369 PolarHBondContact O-CD2 3.45Å; E356-H369 VanDerWaalsContact O-CD2 3.27Å; E356-P370 VanDerWaalsContact OE1-CB 3.3Å; E356-P370 WeakPolarHBondContact OE1-CB 3.27Å; E356-P370 VanDerWaalsContact OE1-CD 3.24Å; E356-P370 WeakPolarHBondContact OE1-CD 3.41Å; E356-S371 WeakPolarHBondContact OE1-CB 3.32Å; E356-S371 PolarHBondContact OE1-N 3.33Å; E356-S371 PolarHBondContact OE1-OG 3.12Å; E356-S371 PolarHBondContact OE2-OG 3.19Å
357	Q	88.9	Confident	89.1	Confident	126 Å²	126	63.9 Å²	63.9	59%	0.589	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-68	135.9	179.8	-72.7	-176.1	-15.2	0	0	110.9	P370	Q357-P370 WeakPolarHBondContact O-CD 3.13Å
358	L	91.1	Very high	89.2	Confident	31 Å²	31	58.2 Å²	58.2	16%	0.162	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-75	138.3	171.4	-68.5	169.7	0	0	0	110.5	S337 C339 V346	S337-L358 VanDerWaalsContact C-CD1 3.45Å; S337-L358 WeakPolarHBondContact O-CD1 3.43Å; C339-L358 HydrophobicContact CB-CD2 3.72Å; V346-L358 HydrophobicContact CG2-CB 4.43Å; V346-L358 HydrophobicContact CG2-CD1 3.82Å; V346-L358 HydrophobicContact CG2-CG 3.97Å
359	I	89.8	Confident	89.4	Confident	16 Å²	16	53.4 Å²	53.4	8%	0.082	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.1	164.3	-62.5	171.8	0	0	0	107	S367 G368 P370 F375 V380 W388	I359-S367 CarbonylContact O-C 3.58Å; I359-S367 WeakPolarHBondContact O-CA 3.49Å; I359-G368 PolarHBondContact N-O 3.27Å; I359-G368 PolarHBondContact O-N 3.4Å; I359-P370 HydrophobicContact CD1-CB 4.45Å; I359-P370 HydrophobicContact CD1-CG 3.79Å; I359-P370 HydrophobicContact CG1-CG 4.24Å; I359-F375 HydrophobicContact CD1-CD2 3.56Å; I359-F375 HydrophobicContact CD1-CE2 3.72Å; I359-F375 HydrophobicContact CG2-CE2 4.49Å; I359-V380 HydrophobicContact CD1-CG2 4.34Å; I359-W388 HydrophobicContact CG2-CD2 3.86Å; I359-W388 HydrophobicContact CG2-CE3 3.58Å; I359-W388 HydrophobicContact CG2-CG 4.33Å; I359-W388 HydrophobicContact CG2-CZ3 3.99Å
360	S	91.3	Very high	89.4	Confident	40 Å²	40	54.1 Å²	54.1	28%	0.28	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139	-172.6	-53.6	0	0	0	0	111.8	V335 R366 S367	V335-S360 VanDerWaalsContact CG1-CB 3.49Å; V335-S360 WeakPolarHBondContact CG1-OG 3.42Å; S360-R366 CarbonylContact C-O 3.59Å; S360-R366 WeakPolarHBondContact CA-O 3.21Å; S360-S367 WeakPolarHBondContact CB-OG 3.49Å; S360-S367 PolarHBondContact OG-OG 3.15Å
361	C	92.4	Very high	89.5	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.02	27%	0.271	C	S	.	.			trans	-70.7	132.1	-180	178.5	0	0	0	0	111.4	D363 G365 R366 W388 C390	C361-D363 PolarHBondContact O-N 2.77Å; C361-D363 PolarHBondContact SG-N 3.44Å; C361-D363 VanDerWaalsContact SG-N 3.4Å; C361-G365 WeakPolarHBondContact O-CA 3.39Å; C361-G365 PolarHBondContact O-N 2.74Å; C361-R366 PolarHBondContact N-O 3.4Å; C361-W388 CarbonylContact C-O 3.13Å; C361-W388 VanDerWaalsContact CA-O 3.32Å; C361-W388 WeakPolarHBondContact CA-O 3.43Å; C361-W388 HydrophobicContact CB-CE3 4.24Å; C361-W388 HydrophobicContact CB-CZ3 3.98Å; C361-C390 HydrophobicContact CB-CB 3.96Å; C361-C390 PolarHBondContact SG-N 3.36Å
362	S	90.3	Very high	89.6	Confident	52 Å²	52	45 Å²	45	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.7	176.2	50.1	0	0	0	0	114.2	W388	S362-W388 PolarHBondContact N-O 3.38Å; S362-W388 PolarHBondContact OG-O 3.06Å
363	D	86.3	Confident	89.6	Confident	78 Å²	78	44.7 Å²	44.7	42%	0.417	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-38.5	-164.7	-58.3	7.5	0	0	0	112.2	C361 Q389 C393	C361-D363 PolarHBondContact O-N 2.77Å; C361-D363 PolarHBondContact SG-N 3.44Å; C361-D363 VanDerWaalsContact SG-N 3.4Å; D363-Q389 WeakPolarHBondContact OD2-CG 3.49Å; D363-Q389 PolarHBondContact OD2-NE2 2.88Å; D363-C393 HydrophobicContact CB-CB 4.07Å
364	C	89.5	Confident	89.5	Confident	27 Å²	27	46.9 Å²	46.9	18%	0.182	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-0.8	-177.9	69.7	0	0	0	0	114.7	R366 C390	C364-R366 PolarHBondContact O-N 2.87Å; C364-C390 PolarHBondContact SG-SG 3.19Å
365	G	89.7	Confident	89.3	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.021	23%	0.227	C	C	.	.			trans	73.8	-12.2	175.7	0	0	0	0	0	116	V335 S336 C361 S367	V335-G365 WeakPolarHBondContact CA-O 3.4Å; S336-G365 PolarHBondContact N-O 3.08Å; S336-G365 PolarHBondContact OG-O 3.46Å; S336-G365 VanDerWaalsContact OG-O 3.09Å; C361-G365 WeakPolarHBondContact O-CA 3.39Å; C361-G365 PolarHBondContact O-N 2.74Å; G365-S367 PolarHBondContact O-OG 3.27Å
366	R	89.6	Confident	88.9	Confident	43 Å²	43	39.8 Å²	39.8	16%	0.162	21%	0.214	C	C	.	.			trans	-56.2	141.5	177.8	-72.9	-179.6	178.5	176.4	2.7	112.6	S336 D340 S360 C361 C364	S336-R366 WeakPolarHBondContact OG-CA 3.24Å; D340-R366 WeakPolarHBondContact OD2-CB 3.24Å; D340-R366 WeakPolarHBondContact OD2-CD 3.46Å; D340-R366 VanDerWaalsContact OD2-CG 3.24Å; D340-R366 WeakPolarHBondContact OD2-CG 3.32Å; D340-R366 IonicContact OD2-NE 3.61Å; S360-R366 CarbonylContact C-O 3.59Å; S360-R366 WeakPolarHBondContact CA-O 3.21Å; C361-R366 PolarHBondContact N-O 3.4Å; C364-R366 PolarHBondContact O-N 2.87Å
367	S	91.8	Very high	88.5	Confident	5 Å²	5	43.1 Å²	43.1	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.5	-171.4	-55.4	0	0	0	0	113.4	S336 C339 D340 I359 S360 G365	S336-S367 PolarHBondContact O-OG 3.2Å; S336-S367 WeakPolarHBondContact OG-CB 3.36Å; S336-S367 PolarHBondContact OG-N 2.72Å; S336-S367 PolarHBondContact OG-OG 3.17Å; C339-S367 CarbonylContact C-O 3.58Å; C339-S367 WeakPolarHBondContact CA-O 3.32Å; D340-S367 PolarHBondContact N-O 3.22Å; I359-S367 CarbonylContact O-C 3.58Å; I359-S367 WeakPolarHBondContact O-CA 3.49Å; S360-S367 WeakPolarHBondContact CB-OG 3.49Å; S360-S367 PolarHBondContact OG-OG 3.15Å; G365-S367 PolarHBondContact O-OG 3.27Å
368	G	90.9	Very high	87.9	Confident	1 Å²	1	40 Å²	40	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.4	174	0	0	0	0	0	112.8	I359	I359-G368 PolarHBondContact N-O 3.27Å; I359-G368 PolarHBondContact O-N 3.4Å
369	H	92.5	Very high	87.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.			trans	-69	139	166.7	-59.8	112.3	0	0	0	109.7	C339 C342 D345 N349 E356 S371 C372 L373	C339-H369 VanDerWaalsContact CB-ND1 3.29Å; C339-H369 WeakPolarHBondContact CB-ND1 3.3Å; C342-H369 PolarHBondContact SG-ND1 3.34Å; D345-H369 PolarHBondContact O-CE1 3.3Å; D345-H369 PolarHBondContact O-NE2 3.09Å; N349-H369 WeakPolarHBondContact ND2-CB 3.41Å; E356-H369 HydrophobicContact CG-CB 4.34Å; E356-H369 PolarHBondContact O-CD2 3.45Å; E356-H369 VanDerWaalsContact O-CD2 3.27Å; H369-S371 VanDerWaalsContact C-N 3.28Å; H369-S371 PolarHBondContact O-N 3.35Å; H369-C372 HydrophobicContact CB-CB 4.01Å; H369-C372 WeakPolarHBondContact O-CA 3.06Å; H369-C372 WeakPolarHBondContact O-CB 3.35Å; H369-C372 PolarHBondContact O-N 3.48Å; H369-L373 PolarHBondContact O-N 2.85Å
370	P	90.2	Very high	87.1	Confident	15 Å²	15	40.4 Å²	40.4	10%	0.097	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-47.9	172.3	-28.6	29.1	0	0	0	114.4	E356 Q357 I359 C372 L373 Q374 F375 V380	E356-P370 VanDerWaalsContact OE1-CB 3.3Å; E356-P370 WeakPolarHBondContact OE1-CB 3.27Å; E356-P370 VanDerWaalsContact OE1-CD 3.24Å; E356-P370 WeakPolarHBondContact OE1-CD 3.41Å; Q357-P370 WeakPolarHBondContact O-CD 3.13Å; I359-P370 HydrophobicContact CD1-CB 4.45Å; I359-P370 HydrophobicContact CD1-CG 3.79Å; I359-P370 HydrophobicContact CG1-CG 4.24Å; P370-C372 VanDerWaalsContact C-N 3.3Å; P370-C372 PolarHBondContact O-N 3.34Å; P370-L373 CarbonylContact O-C 3.53Å; P370-L373 PolarHBondContact O-N 2.73Å; P370-Q374 PolarHBondContact O-N 3.17Å; P370-F375 HydrophobicContact CB-CB 4.23Å; P370-F375 PolarHBondContact O-N 3.21Å; P370-V380 HydrophobicContact CB-CG2 3.53Å; P370-V380 HydrophobicContact CG-CG1 4.43Å; P370-V380 HydrophobicContact CG-CG2 3.82Å
371	S	89.1	Confident	86.6	Confident	40 Å²	40	42.9 Å²	42.9	28%	0.28	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.4	180	72.3	0	0	0	0	114.3	N349 K351 T352 E356 H369	N349-S371 PolarHBondContact ND2-OG 2.84Å; K351-S371 PolarHBondContact NZ-O 3.22Å; T352-S371 WeakPolarHBondContact CG2-OG 3.45Å; E356-S371 WeakPolarHBondContact OE1-CB 3.32Å; E356-S371 PolarHBondContact OE1-N 3.33Å; E356-S371 PolarHBondContact OE1-OG 3.12Å; E356-S371 PolarHBondContact OE2-OG 3.19Å; H369-S371 VanDerWaalsContact C-N 3.28Å; H369-S371 PolarHBondContact O-N 3.35Å
372	C	89.4	Confident	86	Confident	10 Å²	10	43.7 Å²	43.7	7%	0.068	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-44.9	167.2	-71.9	0	0	0	0	110.6	L341 N349 H369 P370 Q374	L341-C372 HydrophobicContact CB-CB 4.01Å; L341-C372 HydrophobicContact CD1-CB 3.81Å; L341-C372 WeakPolarHBondContact CD1-O 3.41Å; N349-C372 PolarHBondContact OD1-SG 3.39Å; H369-C372 HydrophobicContact CB-CB 4.01Å; H369-C372 WeakPolarHBondContact O-CA 3.06Å; H369-C372 WeakPolarHBondContact O-CB 3.35Å; H369-C372 PolarHBondContact O-N 3.48Å; P370-C372 VanDerWaalsContact C-N 3.3Å; P370-C372 PolarHBondContact O-N 3.34Å; C372-Q374 PolarHBondContact O-N 3.08Å
373	L	86.7	Confident	85.6	Confident	48 Å²	48	41.6 Å²	41.6	25%	0.251	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-1.5	176.1	-65.4	169.3	0	0	0	114.2	L341 H369 P370 F375 W388	L341-L373 HydrophobicContact CD1-CD2 3.94Å; L341-L373 HydrophobicContact CD1-CG 4.38Å; H369-L373 PolarHBondContact O-N 2.85Å; P370-L373 CarbonylContact O-C 3.53Å; P370-L373 PolarHBondContact O-N 2.73Å; L373-F375 VanDerWaalsContact C-N 3.25Å; L373-F375 HydrophobicContact CB-CD1 3.7Å; L373-F375 HydrophobicContact CB-CD2 4.47Å; L373-F375 HydrophobicContact CB-CE1 3.74Å; L373-F375 HydrophobicContact CB-CE2 4.48Å; L373-F375 HydrophobicContact CB-CG 4.1Å; L373-F375 HydrophobicContact CB-CZ 4.14Å; L373-F375 HydrophobicContact CD1-CD2 4.46Å; L373-F375 HydrophobicContact CD1-CE1 4.42Å; L373-F375 HydrophobicContact CD1-CE2 3.97Å; L373-F375 HydrophobicContact CD1-CZ 3.96Å; L373-F375 WeakPolarHBondContact O-CD1 3.41Å; L373-F375 PolarHBondContact O-N 2.85Å; L373-W388 HydrophobicContact CD1-CH2 4.04Å; L373-W388 HydrophobicContact CD1-CZ2 4.26Å
374	Q	84.4	Confident	85.3	Confident	165 Å²	165	44.2 Å²	44.2	77%	0.771	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	28.3	-176.9	-57.4	179.7	-56.8	0	0	114.5	P370 C372	P370-Q374 PolarHBondContact O-N 3.17Å; C372-Q374 PolarHBondContact O-N 3.08Å
375	F	84.3	Confident	84.9	Confident	28 Å²	28	50.4 Å²	50.4	12%	0.123	26%	0.26	C	S	.	.			trans	-72.1	135.8	-178.3	-76.3	6.1	0	0	0	113.1	I359 P370 L373 M379 V380 T383 W388 D435	I359-F375 HydrophobicContact CD1-CD2 3.56Å; I359-F375 HydrophobicContact CD1-CE2 3.72Å; I359-F375 HydrophobicContact CG2-CE2 4.49Å; P370-F375 HydrophobicContact CB-CB 4.23Å; P370-F375 PolarHBondContact O-N 3.21Å; L373-F375 VanDerWaalsContact C-N 3.25Å; L373-F375 HydrophobicContact CB-CD1 3.7Å; L373-F375 HydrophobicContact CB-CD2 4.47Å; L373-F375 HydrophobicContact CB-CE1 3.74Å; L373-F375 HydrophobicContact CB-CE2 4.48Å; L373-F375 HydrophobicContact CB-CG 4.1Å; L373-F375 HydrophobicContact CB-CZ 4.14Å; L373-F375 HydrophobicContact CD1-CD2 4.46Å; L373-F375 HydrophobicContact CD1-CE1 4.42Å; L373-F375 HydrophobicContact CD1-CE2 3.97Å; L373-F375 HydrophobicContact CD1-CZ 3.96Å; L373-F375 WeakPolarHBondContact O-CD1 3.41Å; L373-F375 PolarHBondContact O-N 2.85Å; F375-M379 HydrophobicContact CB-CB 3.9Å; F375-M379 HydrophobicContact CB-SD 4.16Å; F375-M379 HydrophobicContact CD1-CB 4.5Å; F375-M379 HydrophobicContact CD1-CE 3.41Å; F375-M379 VanDerWaalsContact CD1-CE 3.41Å; F375-M379 HydrophobicContact CD1-SD 3.96Å; F375-M379 HydrophobicContact CD2-CB 4.14Å; F375-M379 HydrophobicContact CE1-CE 3.61Å; F375-M379 HydrophobicContact CG-CB 3.95Å; F375-M379 HydrophobicContact CG-CE 4.12Å; F375-M379 HydrophobicContact CG-SD 4.2Å; F375-M379 HydrophobicContact CZ-CE 4.45Å; F375-V380 HydrophobicContact CB-CG2 4Å; F375-V380 HydrophobicContact CD2-CG2 4.49Å; F375-T383 HydrophobicContact CE2-CG2 3.86Å; F375-W388 HydrophobicContact CE2-CZ2 4.32Å; F375-W388 AromaticContact CZ-CE2 3.74Å; F375-W388 AromaticContact CZ-CZ2 3.68Å; F375-W388 HydrophobicContact CZ-CZ2 3.68Å; F375-W388 AromaticContact CZ-NE1 3.56Å; F375-D435 HydrophobicContact CZ-CB 4.48Å; F375-D435 VanDerWaalsContact CZ-OD2 3.31Å; F375-D435 WeakPolarHBondContact CZ-OD2 3.32Å
376	T	80.1	Confident	84.4	Confident	66 Å²	66	53.1 Å²	53.1	41%	0.405	27%	0.27	S	S	.	.			trans	-68.4	163.1	166.3	69.4	0	0	0	0	110.8	N378 M379 V380	T376-N378 PolarHBondContact O-N 3.22Å; T376-M379 HydrophobicContact CG2-SD 4.15Å; T376-M379 PolarHBondContact N-SD 3.14Å; T376-M379 VanDerWaalsContact N-SD 3.4Å; T376-M379 PolarHBondContact O-N 3.15Å; T376-M379 WeakPolarHBondContact OG1-CG 3.34Å; T376-M379 PolarHBondContact OG1-N 3.44Å; T376-V380 WeakPolarHBondContact O-CG2 3.47Å; T376-V380 PolarHBondContact O-N 3.14Å; T376-V380 VanDerWaalsContact O-N 3.15Å
377	T	81.1	Confident	84.1	Confident	110 Å²	110	53.3 Å²	53.3	68%	0.675	29%	0.285	S	S	*	.	H	α-helix	trans	-58.2	-35.5	175.3	-51.2	0	0	0	0	111.9	V380 I381	T377-V380 PolarHBondContact O-N 2.83Å; T377-I381 HydrophobicContact CG2-CD1 4.28Å; T377-I381 WeakPolarHBondContact O-CG1 3.47Å; T377-I381 PolarHBondContact O-N 3.48Å
378	N	74.5	Confident	84	Confident	61 Å²	61	53.6 Å²	53.6	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-46.8	175.4	-71.2	-3.8	0	0	0	111.6	T376 V380 I381 S382 D433	T376-N378 PolarHBondContact O-N 3.22Å; N378-V380 VanDerWaalsContact C-N 3.31Å; N378-V380 PolarHBondContact O-N 2.8Å; N378-I381 PolarHBondContact O-N 2.69Å; N378-I381 VanDerWaalsContact O-N 3.12Å; N378-S382 WeakPolarHBondContact O-CB 3.37Å; N378-S382 PolarHBondContact O-N 3.36Å; N378-S382 PolarHBondContact O-OG 3.43Å; N378-S382 VanDerWaalsContact O-OG 3.14Å; N378-D433 CarbonylContact C-O 3.49Å; N378-D433 VanDerWaalsContact CB-OD1 3.27Å; N378-D433 WeakPolarHBondContact CB-OD1 3.35Å; N378-D433 PolarHBondContact ND2-OD1 3.37Å
379	M	79.9	Confident	83.8	Confident	21 Å²	21	55.3 Å²	55.3	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-44.3	175.7	-67.6	166.1	93.4	0	0	111.5	F375 T376 I381 S382 T383 D432 D433 D435	F375-M379 HydrophobicContact CB-CB 3.9Å; F375-M379 HydrophobicContact CB-SD 4.16Å; F375-M379 HydrophobicContact CD1-CB 4.5Å; F375-M379 HydrophobicContact CD1-CE 3.41Å; F375-M379 VanDerWaalsContact CD1-CE 3.41Å; F375-M379 HydrophobicContact CD1-SD 3.96Å; F375-M379 HydrophobicContact CD2-CB 4.14Å; F375-M379 HydrophobicContact CE1-CE 3.61Å; F375-M379 HydrophobicContact CG-CB 3.95Å; F375-M379 HydrophobicContact CG-CE 4.12Å; F375-M379 HydrophobicContact CG-SD 4.2Å; F375-M379 HydrophobicContact CZ-CE 4.45Å; T376-M379 HydrophobicContact CG2-SD 4.15Å; T376-M379 PolarHBondContact N-SD 3.14Å; T376-M379 VanDerWaalsContact N-SD 3.4Å; T376-M379 PolarHBondContact O-N 3.15Å; T376-M379 WeakPolarHBondContact OG1-CG 3.34Å; T376-M379 PolarHBondContact OG1-N 3.44Å; M379-I381 VanDerWaalsContact C-N 3.3Å; M379-I381 PolarHBondContact O-N 2.96Å; M379-S382 PolarHBondContact O-N 3.03Å; M379-S382 VanDerWaalsContact O-N 3.17Å; M379-T383 WeakPolarHBondContact O-CG2 3.45Å; M379-T383 PolarHBondContact O-N 3.17Å; M379-T383 PolarHBondContact O-OG1 3.14Å; M379-T383 VanDerWaalsContact O-OG1 3.08Å; M379-D432 WeakPolarHBondContact CG-O 3.42Å; M379-D433 WeakPolarHBondContact CA-O 3.47Å; M379-D433 PolarHBondContact N-O 3.21Å; M379-D435 HydrophobicContact CE-CB 3.7Å
380	V	84.4	Confident	83.6	Confident	34 Å²	34	56 Å²	56	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-34.1	178.8	179	0	0	0	0	113	I359 P370 F375 T376 T377 N378 T383 K384	I359-V380 HydrophobicContact CD1-CG2 4.34Å; P370-V380 HydrophobicContact CB-CG2 3.53Å; P370-V380 HydrophobicContact CG-CG1 4.43Å; P370-V380 HydrophobicContact CG-CG2 3.82Å; F375-V380 HydrophobicContact CB-CG2 4Å; F375-V380 HydrophobicContact CD2-CG2 4.49Å; T376-V380 WeakPolarHBondContact O-CG2 3.47Å; T376-V380 PolarHBondContact O-N 3.14Å; T376-V380 VanDerWaalsContact O-N 3.15Å; T377-V380 PolarHBondContact O-N 2.83Å; N378-V380 VanDerWaalsContact C-N 3.31Å; N378-V380 PolarHBondContact O-N 2.8Å; V380-T383 PolarHBondContact O-OG1 3.06Å; V380-K384 WeakPolarHBondContact O-CG 3.28Å
381	I	82.6	Confident	83.3	Confident	91 Å²	91	60.6 Å²	60.6	47%	0.467	32%	0.321	S	S	.	.	H	α-helix	trans	-74.9	-39.7	174.9	-66.2	166	0	0	0	110.2	T377 N378 M379	T377-I381 HydrophobicContact CG2-CD1 4.28Å; T377-I381 WeakPolarHBondContact O-CG1 3.47Å; T377-I381 PolarHBondContact O-N 3.48Å; N378-I381 PolarHBondContact O-N 2.69Å; N378-I381 VanDerWaalsContact O-N 3.12Å; M379-I381 VanDerWaalsContact C-N 3.3Å; M379-I381 PolarHBondContact O-N 2.96Å
382	S	78.8	Confident	83	Confident	20 Å²	20	64.5 Å²	64.5	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-68.2	-45.5	-178.9	-71.9	0	0	0	0	113.1	N378 M379 K384 K385 Y386 D433	N378-S382 WeakPolarHBondContact O-CB 3.37Å; N378-S382 PolarHBondContact O-N 3.36Å; N378-S382 PolarHBondContact O-OG 3.43Å; N378-S382 VanDerWaalsContact O-OG 3.14Å; M379-S382 PolarHBondContact O-N 3.03Å; M379-S382 VanDerWaalsContact O-N 3.17Å; S382-K384 PolarHBondContact O-N 3.17Å; S382-K385 WeakPolarHBondContact O-CB 3.48Å; S382-K385 PolarHBondContact O-N 3.46Å; S382-Y386 VanDerWaalsContact O-CD1 3.25Å; S382-Y386 WeakPolarHBondContact O-CD1 3.39Å; S382-Y386 WeakPolarHBondContact O-CE1 3.36Å; S382-D433 WeakPolarHBondContact CB-O 3.31Å; S382-D433 PolarHBondContact OG-O 3.44Å
383	T	81.6	Confident	82.9	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.055	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.3	-179.7	54.6	0	0	0	0	113.6	F375 M379 V380 W388	F375-T383 HydrophobicContact CE2-CG2 3.86Å; M379-T383 WeakPolarHBondContact O-CG2 3.45Å; M379-T383 PolarHBondContact O-N 3.17Å; M379-T383 PolarHBondContact O-OG1 3.14Å; M379-T383 VanDerWaalsContact O-OG1 3.08Å; V380-T383 PolarHBondContact O-OG1 3.06Å; T383-W388 HydrophobicContact CG2-CB 3.98Å; T383-W388 HydrophobicContact CG2-CG 3.66Å
384	K	79.8	Confident	82.7	Confident	132 Å²	132	63.6 Å²	63.6	57%	0.574	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-13.1	172.2	-69.3	-179.8	176.5	-171.8	0	113.8	V380 S382	V380-K384 WeakPolarHBondContact O-CG 3.28Å; S382-K384 PolarHBondContact O-N 3.17Å
385	K	80.8	Confident	82.7	Confident	157 Å²	157	57 Å²	57	68%	0.683	30%	0.304	S	S	*	.	S	Bend	trans	-88.6	-13.9	-177.4	-64.1	173.6	-176.7	171	0	113.8	S382	S382-K385 WeakPolarHBondContact O-CB 3.48Å; S382-K385 PolarHBondContact O-N 3.46Å
386	Y	80.8	Confident	82.6	Confident	59 Å²	59	55.7 Å²	55.7	23%	0.231	30%	0.298	C	S	.	.	S	Bend	trans	-155.2	171.1	-176.3	72	-82	0	0	0	111	S382 W388 C434 R436	S382-Y386 VanDerWaalsContact O-CD1 3.25Å; S382-Y386 WeakPolarHBondContact O-CD1 3.39Å; S382-Y386 WeakPolarHBondContact O-CE1 3.36Å; Y386-W388 PolarHBondContact O-N 3Å; Y386-C434 PolarHBondContact OH-O 3.44Å; Y386-R436 HydrophobicContact CE1-CG 4.39Å; Y386-R436 HydrophobicContact CE2-CG 3.97Å; Y386-R436 WeakPolarHBondContact OH-CG 3.25Å
387	G	83.3	Confident	82.6	Confident	48 Å²	48	55.5 Å²	55.5	50%	0.495	30%	0.303	S	S	.	.			trans	-67.5	99.7	174.1	0	0	0	0	0	111.3
388	W	88.6	Confident	82.4	Confident	11 Å²	11	54.5 Å²	54.5	4%	0.042	30%	0.296	C	S	.	.			trans	-72.5	137	177.6	170.3	79.6	0	0	0	111.7	I359 C361 S362 L373 F375 T383 Y386 C390 D435	I359-W388 HydrophobicContact CG2-CD2 3.86Å; I359-W388 HydrophobicContact CG2-CE3 3.58Å; I359-W388 HydrophobicContact CG2-CG 4.33Å; I359-W388 HydrophobicContact CG2-CZ3 3.99Å; C361-W388 CarbonylContact C-O 3.13Å; C361-W388 VanDerWaalsContact CA-O 3.32Å; C361-W388 WeakPolarHBondContact CA-O 3.43Å; C361-W388 HydrophobicContact CB-CE3 4.24Å; C361-W388 HydrophobicContact CB-CZ3 3.98Å; S362-W388 PolarHBondContact N-O 3.38Å; S362-W388 PolarHBondContact OG-O 3.06Å; L373-W388 HydrophobicContact CD1-CH2 4.04Å; L373-W388 HydrophobicContact CD1-CZ2 4.26Å; F375-W388 HydrophobicContact CE2-CZ2 4.32Å; F375-W388 AromaticContact CZ-CE2 3.74Å; F375-W388 AromaticContact CZ-CZ2 3.68Å; F375-W388 HydrophobicContact CZ-CZ2 3.68Å; F375-W388 AromaticContact CZ-NE1 3.56Å; T383-W388 HydrophobicContact CG2-CB 3.98Å; T383-W388 HydrophobicContact CG2-CG 3.66Å; Y386-W388 PolarHBondContact O-N 3Å; W388-C390 HydrophobicContact CH2-CB 3.78Å; W388-C390 HydrophobicContact CZ2-CB 4.28Å; W388-C390 HydrophobicContact CZ3-CB 4.21Å; W388-D435 PolarHBondContact NE1-OD2 2.81Å
389	Q	86.6	Confident	82.7	Confident	36 Å²	36	54.4 Å²	54.4	17%	0.168	30%	0.3	C	S	.	.			trans	-106	132.8	176.2	-68	174.2	-40.5	0	0	110.1	D363 C393 K394 S395	D363-Q389 WeakPolarHBondContact OD2-CG 3.49Å; D363-Q389 PolarHBondContact OD2-NE2 2.88Å; Q389-C393 HydrophobicContact CB-CB 4.26Å; Q389-C393 VanDerWaalsContact CD-O 3.23Å; Q389-C393 PolarHBondContact NE2-O 2.81Å; Q389-C393 PolarHBondContact OE1-O 3.08Å; Q389-K394 HydrophobicContact CB-CD 4.4Å; Q389-K394 PolarHBondContact O-NZ 3.02Å; Q389-S395 PolarHBondContact NE2-OG 3.4Å; Q389-S395 VanDerWaalsContact NE2-OG 3.08Å; Q389-S395 PolarHBondContact OE1-OG 3.17Å
390	C	89.1	Confident	82.7	Confident	14 Å²	14	56 Å²	56	10%	0.095	32%	0.322	C	S	.	.			trans	-65.1	166.1	169.9	71	0	0	0	0	110.8	C361 C364 W388 E392 C393 K394	C361-C390 HydrophobicContact CB-CB 3.96Å; C361-C390 PolarHBondContact SG-N 3.36Å; C364-C390 PolarHBondContact SG-SG 3.19Å; W388-C390 HydrophobicContact CH2-CB 3.78Å; W388-C390 HydrophobicContact CZ2-CB 4.28Å; W388-C390 HydrophobicContact CZ3-CB 4.21Å; C390-E392 VanDerWaalsContact C-N 3.26Å; C390-E392 PolarHBondContact O-N 3.03Å; C390-C393 CarbonylContact O-C 3.52Å; C390-C393 PolarHBondContact O-N 3.1Å; C390-C393 VanDerWaalsContact SG-SG 3.69Å; C390-K394 PolarHBondContact O-N 3.25Å
391	I	83.8	Confident	82.4	Confident	113 Å²	113	56.9 Å²	56.9	58%	0.579	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-52.9	-40.2	-175.8	-166.7	168.4	0	0	0	113.4	C393 K394 F430	I391-C393 PolarHBondContact O-N 3.39Å; I391-K394 WeakPolarHBondContact O-CB 3.18Å; I391-K394 PolarHBondContact O-N 3.35Å; I391-F430 HydrophobicContact CD1-CE2 3.88Å; I391-F430 HydrophobicContact CD1-CZ 4.31Å; I391-F430 HydrophobicContact CG1-CE2 3.9Å; I391-F430 HydrophobicContact CG1-CZ 3.87Å
392	E	82.6	Confident	82.1	Confident	122 Å²	122	56 Å²	56	57%	0.57	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-70.8	-28.6	178.5	-59.2	-64.2	133.7	0	0	113.8	C390	C390-E392 VanDerWaalsContact C-N 3.26Å; C390-E392 PolarHBondContact O-N 3.03Å
393	C	86.7	Confident	81.5	Confident	33 Å²	33	60.7 Å²	60.7	22%	0.223	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-97.6	2.6	178.8	-64.2	0	0	0	0	112.4	D363 Q389 C390 I391 S395	D363-C393 HydrophobicContact CB-CB 4.07Å; Q389-C393 HydrophobicContact CB-CB 4.26Å; Q389-C393 VanDerWaalsContact CD-O 3.23Å; Q389-C393 PolarHBondContact NE2-O 2.81Å; Q389-C393 PolarHBondContact OE1-O 3.08Å; C390-C393 CarbonylContact O-C 3.52Å; C390-C393 PolarHBondContact O-N 3.1Å; C390-C393 VanDerWaalsContact SG-SG 3.69Å; I391-C393 PolarHBondContact O-N 3.39Å; C393-S395 PolarHBondContact O-N 3.24Å; C393-S395 VanDerWaalsContact O-N 3.09Å
394	K	82.8	Confident	80.5	Confident	5 Å²	5	62.3 Å²	62.3	2%	0.022	36%	0.357	C	S	.	.			trans	-64.9	115.5	-171.9	-160.8	84.7	73.8	-173.6	0	110.1	Q389 C390 I391 S402 L428 F430 D435	Q389-K394 HydrophobicContact CB-CD 4.4Å; Q389-K394 PolarHBondContact O-NZ 3.02Å; C390-K394 PolarHBondContact O-N 3.25Å; I391-K394 WeakPolarHBondContact O-CB 3.18Å; I391-K394 PolarHBondContact O-N 3.35Å; K394-S402 WeakPolarHBondContact O-CB 3.32Å; K394-L428 HydrophobicContact CB-CD2 4.06Å; K394-L428 HydrophobicContact CG-CD2 4.11Å; K394-L428 VanDerWaalsContact O-CD2 3.32Å; K394-L428 WeakPolarHBondContact O-CD2 3.44Å; K394-F430 HydrophobicContact CB-CE1 4.13Å; K394-F430 HydrophobicContact CD-CD1 4.4Å; K394-F430 HydrophobicContact CG-CD1 3.97Å; K394-F430 HydrophobicContact CG-CE1 3.75Å; K394-D435 WeakPolarHBondContact CD-O 3.2Å; K394-D435 WeakPolarHBondContact CE-O 3.17Å; K394-D435 WeakPolarHBondContact CE-OD1 3.35Å; K394-D435 PolarHBondContact NZ-O 3.33Å; K394-D435 IonicContact NZ-OD1 3.95Å; K394-D435 PolarHBondContact NZ-OD1 2.97Å; K394-D435 IonicContact NZ-OD2 2.91Å; K394-D435 PolarHBondContact NZ-OD2 2.85Å
395	S	84	Confident	79.1	Confident	28 Å²	28	60.8 Å²	60.8	20%	0.196	36%	0.355	C	S	.	.			trans	-101.8	151	172.7	65.2	0	0	0	0	110.6	Q389 C393 A397	Q389-S395 PolarHBondContact NE2-OG 3.4Å; Q389-S395 VanDerWaalsContact NE2-OG 3.08Å; Q389-S395 PolarHBondContact OE1-OG 3.17Å; C393-S395 PolarHBondContact O-N 3.24Å; C393-S395 VanDerWaalsContact O-N 3.09Å; S395-A397 PolarHBondContact O-N 3.46Å
396	C	83.2	Confident	77.7	Confident	0 Å²	0	57 Å²	57	0%	0	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-68.9	124.5	172.9	173	0	0	0	0	110.3	V398 C399 G400 T401 L428 G437 H439	C396-V398 PolarHBondContact O-N 3.22Å; C396-V398 PolarHBondContact SG-N 3.23Å; C396-V398 VanDerWaalsContact SG-N 3.44Å; C396-C399 VanDerWaalsContact CB-SG 3.57Å; C396-C399 PolarHBondContact O-N 3.49Å; C396-G400 VanDerWaalsContact O-CA 3.31Å; C396-G400 WeakPolarHBondContact O-CA 3.25Å; C396-G400 PolarHBondContact O-N 3.42Å; C396-T401 WeakPolarHBondContact CB-O 3.32Å; C396-T401 PolarHBondContact N-O 3.07Å; C396-L428 HydrophobicContact CB-CD1 3.82Å; C396-G437 CarbonylContact C-O 3.39Å; C396-G437 VanDerWaalsContact CA-O 3.31Å; C396-G437 WeakPolarHBondContact CA-O 3.24Å; C396-H439 VanDerWaalsContact CB-ND1 3.27Å; C396-H439 WeakPolarHBondContact CB-ND1 3.45Å; C396-H439 PolarHBondContact SG-N 2.83Å
397	A	79.8	Confident	76.2	Confident	62 Å²	62	58.5 Å²	58.5	51%	0.512	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-8.3	-179	0	0	0	0	0	114.8	S395 G437 F438	S395-A397 PolarHBondContact O-N 3.46Å; A397-G437 PolarHBondContact N-O 2.95Å; A397-F438 HydrophobicContact CB-CD1 4.42Å; A397-F438 HydrophobicContact CB-CE1 3.92Å; A397-F438 HydrophobicContact CB-CZ 4.28Å
398	V	76.8	Confident	74.4	Confident	88 Å²	88	60.2 Å²	60.2	53%	0.533	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-48.9	179.6	-177.8	0	0	0	0	112.1	C396 F438 C442	C396-V398 PolarHBondContact O-N 3.22Å; C396-V398 PolarHBondContact SG-N 3.23Å; C396-V398 VanDerWaalsContact SG-N 3.44Å; V398-F438 HydrophobicContact CG2-CD1 4.17Å; V398-C442 HydrophobicContact CB-CB 3.84Å; V398-C442 HydrophobicContact CG1-CB 4.01Å; V398-C442 HydrophobicContact CG2-CB 4.17Å
399	C	80.7	Confident	72.2	Confident	59 Å²	59	61.8 Å²	61.8	40%	0.399	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-10.1	-176.9	62.7	0	0	0	0	114.6	C396 T401 H439 C442	C396-C399 VanDerWaalsContact CB-SG 3.57Å; C396-C399 PolarHBondContact O-N 3.49Å; C399-T401 PolarHBondContact O-N 3.38Å; C399-T401 PolarHBondContact SG-OG1 2.83Å; C399-H439 PolarHBondContact SG-ND1 3Å; C399-C442 VanDerWaalsContact SG-SG 3.65Å
400	G	80.1	Confident	70.1	Confident	55 Å²	55	63.9 Å²	63.9	57%	0.567	38%	0.384	S	S	*	.			trans	74.1	-1.1	-179.9	0	0	0	0	0	115.4	C396	C396-G400 VanDerWaalsContact O-CA 3.31Å; C396-G400 WeakPolarHBondContact O-CA 3.25Å; C396-G400 PolarHBondContact O-N 3.42Å
401	T	77.2	Confident	67.8	Low	52 Å²	52	69.2 Å²	69.2	32%	0.319	41%	0.406	S	S	.	.			trans	-94.2	151	177.2	62.3	0	0	0	0	111.5	C396 C399 E403 H439	C396-T401 WeakPolarHBondContact CB-O 3.32Å; C396-T401 PolarHBondContact N-O 3.07Å; C399-T401 PolarHBondContact O-N 3.38Å; C399-T401 PolarHBondContact SG-OG1 2.83Å; T401-E403 PolarHBondContact OG1-O 2.83Å; T401-H439 PolarHBondContact O-CE1 2.92Å; T401-H439 PolarHBondContact OG1-CE1 2.98Å
402	S	77.2	Confident	65.8	Low	72 Å²	72	64.2 Å²	64.2	50%	0.503	38%	0.38	S	S	.	.			trans	-98.6	0.1	163.2	55.2	0	0	0	0	112.3	K394	K394-S402 WeakPolarHBondContact O-CB 3.32Å
403	E	65.9	Low	63.8	Low	120 Å²	120	62.3 Å²	62.3	56%	0.561	37%	0.374	S	S	*	.	S	Bend	trans	-89.6	121.9	180	-63.3	-177.6	176.8	0	0	110.1	T401 D405 H439 Y441	T401-E403 PolarHBondContact OG1-O 2.83Å; E403-D405 PolarHBondContact O-N 3.12Å; E403-H439 PolarHBondContact O-CE1 3.14Å; E403-Y441 PolarHBondContact O-OH 2.87Å
404	N	60.2	Low	61.8	Low	42 Å²	42	66.4 Å²	66.4	23%	0.225	39%	0.388	C	S	.	.			trans	-72.9	103.6	169.3	-69	-31.6	0	0	0	108.5	V406 I425 Q427 H439	N404-V406 PolarHBondContact O-N 3.36Å; N404-I425 PolarHBondContact ND2-O 3.35Å; N404-Q427 PolarHBondContact ND2-N 3.09Å; N404-H439 PolarHBondContact OD1-CD2 3.25Å; N404-H439 PolarHBondContact OD1-NE2 2.74Å
405	D	50.7	Low	59.9	Low	100 Å²	100	71 Å²	71	54%	0.535	41%	0.412	S	S	.	.			trans	-61.7	110	-177.2	-93	-43	0	0	0	111.5	E403 S407 Y441	E403-D405 PolarHBondContact O-N 3.12Å; D405-S407 PolarHBondContact O-N 3.06Å; D405-S407 PolarHBondContact O-OG 3.31Å; D405-Y441 PolarHBondContact N-OH 3.26Å; D405-Y441 VanDerWaalsContact N-OH 3.08Å
406	V	51.1	Low	57.8	Low	77 Å²	77	75.7 Å²	75.7	47%	0.467	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-55.9	-13.6	-169	-163.2	0	0	0	0	114.5	Y242 N404 Y408 L409	Y242-V406 HydrophobicContact CE1-CB 4.39Å; Y242-V406 HydrophobicContact CE1-CG1 3.52Å; Y242-V406 HydrophobicContact CE1-CG2 3.89Å; Y242-V406 VanDerWaalsContact OH-CG1 3.24Å; Y242-V406 WeakPolarHBondContact OH-CG1 3.34Å; N404-V406 PolarHBondContact O-N 3.36Å; V406-Y408 PolarHBondContact O-N 3.35Å; V406-Y408 VanDerWaalsContact O-N 3.1Å; V406-L409 HydrophobicContact CG1-CB 4.4Å; V406-L409 WeakPolarHBondContact O-CB 3.4Å; V406-L409 PolarHBondContact O-N 3.31Å
407	S	49.7	Very low	55.8	Low	91 Å²	91	78.1 Å²	78.1	64%	0.636	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-49.7	-34.4	178.8	66.1	0	0	0	0	114.9	D405	D405-S407 PolarHBondContact O-N 3.06Å; D405-S407 PolarHBondContact O-OG 3.31Å
408	Y	45.2	Very low	54.2	Low	85 Å²	85	78.5 Å²	78.5	33%	0.333	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-79.6	-17.6	-179.5	-107.3	-98.5	0	0	0	114.7	V406 S410 F411 C412	V406-Y408 PolarHBondContact O-N 3.35Å; V406-Y408 VanDerWaalsContact O-N 3.1Å; Y408-S410 PolarHBondContact O-N 2.89Å; Y408-F411 HydrophobicContact CD1-CB 4.41Å; Y408-F411 PolarHBondContact O-N 2.86Å; Y408-C412 PolarHBondContact O-N 3.35Å; Y408-C412 VanDerWaalsContact O-N 3.12Å; Y408-C412 PolarHBondContact O-SG 3.25Å; Y408-C412 VanDerWaalsContact O-SG 3.32Å
409	L	43.3	Very low	52.6	Low	43 Å²	43	83 Å²	83	23%	0.225	45%	0.452	C	S	.	.	H	α-helix	trans	-59.7	-34.4	179.4	-141.3	79.8	0	0	0	111.3	Y242 V406 F411 C412 I413	Y242-L409 WeakPolarHBondContact OH-CD2 3.27Å; V406-L409 HydrophobicContact CG1-CB 4.4Å; V406-L409 WeakPolarHBondContact O-CB 3.4Å; V406-L409 PolarHBondContact O-N 3.31Å; L409-F411 VanDerWaalsContact C-N 3.28Å; L409-F411 PolarHBondContact O-N 2.91Å; L409-C412 PolarHBondContact O-N 3.1Å; L409-I413 WeakPolarHBondContact O-CB 3.48Å; L409-I413 WeakPolarHBondContact O-CD1 3.39Å; L409-I413 WeakPolarHBondContact O-CG1 3.46Å; L409-I413 PolarHBondContact O-N 3.1Å
410	S	41.3	Very low	50.8	Low	80 Å²	80	82.3 Å²	82.3	56%	0.559	44%	0.442	S	S	*	.	H	α-helix	trans	-61.6	-31.7	175.7	-163.6	0	0	0	0	113.4	Y408	Y408-S410 PolarHBondContact O-N 2.89Å
411	F	41.8	Very low	49	Very low	127 Å²	127	81 Å²	81	56%	0.557	42%	0.423	S	S	*	.	H	α-helix	trans	-81.7	-37.2	175.7	-165.1	-96.5	0	0	0	112	Y408 L409 I413 F414	Y408-F411 HydrophobicContact CD1-CB 4.41Å; Y408-F411 PolarHBondContact O-N 2.86Å; L409-F411 VanDerWaalsContact C-N 3.28Å; L409-F411 PolarHBondContact O-N 2.91Å; F411-I413 VanDerWaalsContact C-N 3.33Å; F411-I413 PolarHBondContact O-N 2.79Å; F411-F414 WeakPolarHBondContact O-CB 3.46Å; F411-F414 PolarHBondContact O-N 3.47Å
412	C	41	Very low	47.2	Very low	7 Å²	7	83.7 Å²	83.7	5%	0.047	44%	0.435	C	S	.	.	H	α-helix	trans	-67.8	-33.7	178.4	-56.6	0	0	0	0	112.3	Y408 L409 F414 L415 F420 T421 C424	Y408-C412 PolarHBondContact O-N 3.35Å; Y408-C412 VanDerWaalsContact O-N 3.12Å; Y408-C412 PolarHBondContact O-SG 3.25Å; Y408-C412 VanDerWaalsContact O-SG 3.32Å; L409-C412 PolarHBondContact O-N 3.1Å; C412-F414 PolarHBondContact O-N 2.97Å; C412-L415 PolarHBondContact O-N 2.91Å; C412-F420 HydrophobicContact CB-CD1 4.09Å; C412-F420 HydrophobicContact CB-CE1 4.21Å; C412-T421 HydrophobicContact CB-CG2 4.33Å; C412-C424 HydrophobicContact CB-CB 4.41Å; C412-C424 PolarHBondContact SG-SG 2.88Å
413	I	41.9	Very low	45.5	Very low	83 Å²	83	84.9 Å²	84.9	43%	0.426	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.6	171.2	-69.9	163.2	0	0	0	112.1	L409 F411 L415 T421	L409-I413 WeakPolarHBondContact O-CB 3.48Å; L409-I413 WeakPolarHBondContact O-CD1 3.39Å; L409-I413 WeakPolarHBondContact O-CG1 3.46Å; L409-I413 PolarHBondContact O-N 3.1Å; F411-I413 VanDerWaalsContact C-N 3.33Å; F411-I413 PolarHBondContact O-N 2.79Å; I413-L415 PolarHBondContact O-N 3.48Å; I413-T421 HydrophobicContact CG1-CG2 4.31Å
414	F	44.4	Very low	44.3	Very low	119 Å²	119	79.7 Å²	79.7	52%	0.522	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-75.7	-20.2	-175.8	-121.7	-90.6	0	0	0	114.5	R7 F411 C412 K416	R7-F414 WeakPolarHBondContact O-CE1 3.39Å; R7-F414 VanDerWaalsContact O-CZ 3.32Å; R7-F414 WeakPolarHBondContact O-CZ 3.27Å; F411-F414 WeakPolarHBondContact O-CB 3.46Å; F411-F414 PolarHBondContact O-N 3.47Å; C412-F414 PolarHBondContact O-N 2.97Å; F414-K416 PolarHBondContact O-N 2.96Å
415	L	42.1	Very low	43.6	Very low	100 Å²	100	82.3 Å²	82.3	52%	0.524	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-86.5	2.2	-172.9	-73.5	171.8	0	0	0	114.9	C412 I413 S417 F420	C412-L415 PolarHBondContact O-N 2.91Å; I413-L415 PolarHBondContact O-N 3.48Å; L415-S417 PolarHBondContact O-N 3.09Å; L415-F420 HydrophobicContact CD1-CD1 4.19Å; L415-F420 HydrophobicContact CD1-CE1 4.07Å
416	K	39.8	Very low	43.8	Very low	127 Å²	127	83.7 Å²	83.7	55%	0.552	42%	0.424	S	S	*	.			trans	53.5	16.2	-179.7	-65.8	-173	175.1	-177.3	0	115.4	L10 F414	L10-K416 PolarHBondContact O-NZ 3.46Å; F414-K416 PolarHBondContact O-N 2.96Å
417	S	42.6	Very low	44.3	Very low	52 Å²	52	80.9 Å²	80.9	36%	0.364	41%	0.406	S	S	.	.			trans	-102.5	119.2	177	-178	0	0	0	0	111.5	L415 F420 T421	L415-S417 PolarHBondContact O-N 3.09Å; S417-F420 PolarHBondContact O-N 3.46Å; S417-F420 PolarHBondContact OG-N 3.3Å; S417-T421 PolarHBondContact O-N 3.27Å; S417-T421 PolarHBondContact O-OG1 3.32Å; S417-T421 VanDerWaalsContact O-OG1 3.14Å
418	I	44.4	Very low	45.5	Very low	70 Å²	70	78 Å²	78	36%	0.359	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-43.1	177.4	-66.2	-173.5	0	0	0	110.7	Y42 F420 T421 L422	Y42-I418 HydrophobicContact CD1-CB 4.35Å; Y42-I418 HydrophobicContact CD1-CD1 3.57Å; Y42-I418 HydrophobicContact CD1-CG1 3.91Å; Y42-I418 HydrophobicContact CD1-CG2 3.7Å; Y42-I418 HydrophobicContact CD2-CG2 3.84Å; Y42-I418 HydrophobicContact CE1-CB 3.85Å; Y42-I418 HydrophobicContact CE1-CD1 3.53Å; Y42-I418 HydrophobicContact CE1-CG1 3.35Å; Y42-I418 HydrophobicContact CE1-CG2 3.58Å; Y42-I418 HydrophobicContact CE2-CG2 3.69Å; Y42-I418 HydrophobicContact CG-CG2 3.82Å; I418-F420 VanDerWaalsContact C-N 3.33Å; I418-F420 PolarHBondContact O-N 3.26Å; I418-T421 PolarHBondContact O-N 3.12Å; I418-T421 PolarHBondContact O-OG1 3.11Å; I418-L422 PolarHBondContact O-N 3.39Å
419	F	43.2	Very low	47.1	Very low	183 Å²	183	75.8 Å²	75.8	80%	0.803	38%	0.377	S	S	*	.	H	α-helix	trans	-57.8	-44.9	175.3	-118.3	-101.6	0	0	0	111.9	T421 F423	F419-T421 PolarHBondContact O-N 2.7Å; F419-F423 VanDerWaalsContact O-CB 3.32Å; F419-F423 WeakPolarHBondContact O-CB 3.42Å; F419-F423 PolarHBondContact O-N 3.48Å
420	F	43.4	Very low	49	Very low	44 Å²	44	77.7 Å²	77.7	19%	0.193	38%	0.383	C	S	.	.	H	α-helix	trans	-70	-33.2	-174.5	-158.9	-102.1	0	0	0	112.7	C412 L415 S417 I418 C424 L448	C412-F420 HydrophobicContact CB-CD1 4.09Å; C412-F420 HydrophobicContact CB-CE1 4.21Å; L415-F420 HydrophobicContact CD1-CD1 4.19Å; L415-F420 HydrophobicContact CD1-CE1 4.07Å; S417-F420 PolarHBondContact O-N 3.46Å; S417-F420 PolarHBondContact OG-N 3.3Å; I418-F420 VanDerWaalsContact C-N 3.33Å; I418-F420 PolarHBondContact O-N 3.26Å; F420-C424 WeakPolarHBondContact O-CB 3.23Å; F420-C424 PolarHBondContact O-N 2.83Å; F420-C424 PolarHBondContact O-SG 3.06Å; F420-L448 VanDerWaalsContact CE2-O 3.28Å; F420-L448 WeakPolarHBondContact CE2-O 3.21Å; F420-L448 HydrophobicContact CZ-CB 4.22Å; F420-L448 VanDerWaalsContact CZ-O 3.23Å; F420-L448 WeakPolarHBondContact CZ-O 3.11Å
421	T	41.7	Very low	50.8	Low	28 Å²	28	75.8 Å²	75.8	17%	0.172	37%	0.369	C	S	.	.	H	α-helix	trans	-78	-35.4	-177.6	35.2	0	0	0	0	113.7	Y42 C412 I413 S417 I418 F419 F423	Y42-T421 PolarHBondContact OH-OG1 2.89Å; C412-T421 HydrophobicContact CB-CG2 4.33Å; I413-T421 HydrophobicContact CG1-CG2 4.31Å; S417-T421 PolarHBondContact O-N 3.27Å; S417-T421 PolarHBondContact O-OG1 3.32Å; S417-T421 VanDerWaalsContact O-OG1 3.14Å; I418-T421 PolarHBondContact O-N 3.12Å; I418-T421 PolarHBondContact O-OG1 3.11Å; F419-T421 PolarHBondContact O-N 2.7Å; T421-F423 VanDerWaalsContact C-N 3.32Å
422	L	41.3	Very low	52.5	Low	108 Å²	108	73.9 Å²	73.9	57%	0.565	37%	0.365	S	S	*	.	H	α-helix	trans	-67.8	-33.1	171.5	-93.1	159.3	0	0	0	112.5	Y42 I418 I425	Y42-L422 HydrophobicContact CD2-CD1 3.83Å; Y42-L422 HydrophobicContact CE2-CD1 3.78Å; Y42-L422 HydrophobicContact CE2-CG 4.18Å; I418-L422 PolarHBondContact O-N 3.39Å; L422-I425 HydrophobicContact CD2-CD1 4.44Å; L422-I425 WeakPolarHBondContact O-CG1 3.28Å
423	F	41.5	Very low	53.8	Low	96 Å²	96	75.2 Å²	75.2	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-75.2	-27.4	-179.9	-160.8	-144.7	0	0	0	113.2	F419 T421 I425 A449 P450	F419-F423 VanDerWaalsContact O-CB 3.32Å; F419-F423 WeakPolarHBondContact O-CB 3.42Å; F419-F423 PolarHBondContact O-N 3.48Å; T421-F423 VanDerWaalsContact C-N 3.32Å; F423-I425 PolarHBondContact O-N 3.23Å; F423-I425 VanDerWaalsContact O-N 3.14Å; F423-A449 HydrophobicContact CE1-CB 3.81Å; F423-P450 VanDerWaalsContact CE1-CD 3.43Å; F423-P450 HydrophobicContact CE1-CG 4.28Å; F423-P450 HydrophobicContact CE2-CG 4.1Å; F423-P450 HydrophobicContact CZ-CB 4.25Å; F423-P450 VanDerWaalsContact CZ-CD 3.48Å; F423-P450 HydrophobicContact CZ-CG 3.83Å
424	C	40.5	Very low	55.5	Low	11 Å²	11	71.9 Å²	71.9	7%	0.074	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	1.5	-176.9	-80.9	0	0	0	0	115.9	C412 F420 Q427	C412-C424 HydrophobicContact CB-CB 4.41Å; C412-C424 PolarHBondContact SG-SG 2.88Å; F420-C424 WeakPolarHBondContact O-CB 3.23Å; F420-C424 PolarHBondContact O-N 2.83Å; F420-C424 PolarHBondContact O-SG 3.06Å; C424-Q427 WeakPolarHBondContact O-CG 3.42Å; C424-Q427 PolarHBondContact O-NE2 3.3Å
425	I	44.7	Very low	57.3	Low	97 Å²	97	67 Å²	67	50%	0.497	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-29	-170.5	-51.6	175.2	0	0	0	111.9	N404 L422 F423	N404-I425 PolarHBondContact ND2-O 3.35Å; L422-I425 HydrophobicContact CD2-CD1 4.44Å; L422-I425 WeakPolarHBondContact O-CG1 3.28Å; F423-I425 PolarHBondContact O-N 3.23Å; F423-I425 VanDerWaalsContact O-N 3.14Å
426	E	55.3	Low	59.1	Low	129 Å²	129	66.6 Å²	66.6	60%	0.603	33%	0.327	S	S	*	.			trans	-114.4	63.5	-176	-69.1	-75.9	113.7	0	0	111.1	K256 L428	K256-E426 IonicContact NZ-OE1 3.91Å; K256-E426 PolarHBondContact NZ-OE1 3.48Å; E426-L428 PolarHBondContact O-N 2.79Å; E426-L428 VanDerWaalsContact O-N 3.17Å
427	Q	61.6	Low	61.1	Low	19 Å²	19	60.6 Å²	60.6	9%	0.089	30%	0.301	C	S	.	.			trans	-77.7	7.7	-172.4	-54.9	-148.4	6	0	0	116.2	N404 C424 H439 M440 Y441	N404-Q427 PolarHBondContact ND2-N 3.09Å; C424-Q427 WeakPolarHBondContact O-CG 3.42Å; C424-Q427 PolarHBondContact O-NE2 3.3Å; Q427-H439 CarbonylContact O-C 3.48Å; Q427-H439 VanDerWaalsContact O-CA 3.25Å; Q427-H439 WeakPolarHBondContact O-CA 3.49Å; Q427-M440 HydrophobicContact CB-SD 4.28Å; Q427-M440 WeakPolarHBondContact O-CG 3.32Å; Q427-M440 PolarHBondContact O-N 2.86Å; Q427-Y441 HydrophobicContact CB-CE1 4.44Å
428	L	74.4	Confident	62.8	Low	31 Å²	31	60.5 Å²	60.5	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	96.9	179.9	-173.7	70.1	0	0	0	110.1	K394 C396 E426 F430	K394-L428 HydrophobicContact CB-CD2 4.06Å; K394-L428 HydrophobicContact CG-CD2 4.11Å; K394-L428 VanDerWaalsContact O-CD2 3.32Å; K394-L428 WeakPolarHBondContact O-CD2 3.44Å; C396-L428 HydrophobicContact CB-CD1 3.82Å; E426-L428 PolarHBondContact O-N 2.79Å; E426-L428 VanDerWaalsContact O-N 3.17Å; L428-F430 HydrophobicContact CD2-CE1 3.95Å; L428-F430 HydrophobicContact CG-CE1 4Å
429	L	80.1	Confident	64.4	Low	37 Å²	37	57.2 Å²	57.2	19%	0.194	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.1	175	-65	173	0	0	0	111	G437 F438 M440 L443 L447 P450	L429-G437 CarbonylContact O-C 3.58Å; L429-G437 VanDerWaalsContact O-CA 3.28Å; L429-G437 WeakPolarHBondContact O-CA 3.34Å; L429-F438 PolarHBondContact N-O 3.09Å; L429-F438 PolarHBondContact O-N 3.39Å; L429-M440 HydrophobicContact CD1-CG 3.69Å; L429-M440 HydrophobicContact CD2-CG 4.34Å; L429-M440 HydrophobicContact CG-CG 3.73Å; L429-L443 HydrophobicContact CD1-CD1 3.93Å; L429-L447 HydrophobicContact CD1-CD1 3.63Å; L429-P450 HydrophobicContact CD2-CB 3.76Å; L429-P450 HydrophobicContact CD2-CG 4.02Å
430	F	82.4	Confident	65.6	Low	83 Å²	83	48.8 Å²	48.8	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.7	168.9	-49	-37.1	0	0	0	109.4	I391 K394 L428 R436	I391-F430 HydrophobicContact CD1-CE2 3.88Å; I391-F430 HydrophobicContact CD1-CZ 4.31Å; I391-F430 HydrophobicContact CG1-CE2 3.9Å; I391-F430 HydrophobicContact CG1-CZ 3.87Å; K394-F430 HydrophobicContact CB-CE1 4.13Å; K394-F430 HydrophobicContact CD-CD1 4.4Å; K394-F430 HydrophobicContact CG-CD1 3.97Å; K394-F430 HydrophobicContact CG-CE1 3.75Å; L428-F430 HydrophobicContact CD2-CE1 3.95Å; L428-F430 HydrophobicContact CG-CE1 4Å; F430-R436 WeakPolarHBondContact CA-O 3.21Å
431	C	78.7	Confident	66.9	Low	40 Å²	40	48.2 Å²	48.2	27%	0.27	24%	0.237	S	C	.	.			trans	-83.6	120.7	176	169.7	0	0	0	0	110.9	D433 C434 D435 R436 F438	C431-D433 PolarHBondContact O-N 2.83Å; C431-D433 VanDerWaalsContact O-N 3.09Å; C431-C434 PolarHBondContact O-N 2.97Å; C431-D435 WeakPolarHBondContact O-CA 3.44Å; C431-D435 PolarHBondContact O-N 3.18Å; C431-R436 PolarHBondContact N-O 2.64Å; C431-F438 HydrophobicContact CB-CD2 4.48Å; C431-F438 HydrophobicContact CB-CE2 4.02Å
432	D	77.1	Confident	68.1	Low	88 Å²	88	48.2 Å²	48.2	47%	0.471	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.1	-175.4	-63.8	-36.4	0	0	0	115.2	M379	M379-D432 WeakPolarHBondContact CG-O 3.42Å
433	D	68.9	Low	69.3	Low	34 Å²	34	45.2 Å²	45.2	18%	0.182	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-23.3	178.4	-86.9	-53.6	0	0	0	114.9	N378 M379 S382 C431 L456	N378-D433 CarbonylContact C-O 3.49Å; N378-D433 VanDerWaalsContact CB-OD1 3.27Å; N378-D433 WeakPolarHBondContact CB-OD1 3.35Å; N378-D433 PolarHBondContact ND2-OD1 3.37Å; M379-D433 WeakPolarHBondContact CA-O 3.47Å; M379-D433 PolarHBondContact N-O 3.21Å; S382-D433 WeakPolarHBondContact CB-O 3.31Å; S382-D433 PolarHBondContact OG-O 3.44Å; C431-D433 PolarHBondContact O-N 2.83Å; C431-D433 VanDerWaalsContact O-N 3.09Å; D433-L456 WeakPolarHBondContact OD2-CD1 3.44Å
434	C	77.3	Confident	70.3	Confident	14 Å²	14	48.3 Å²	48.3	10%	0.095	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-15.1	-175.4	75.2	0	0	0	0	115.7	Y386 C431 R436	Y386-C434 PolarHBondContact OH-O 3.44Å; C431-C434 PolarHBondContact O-N 2.97Å; C434-R436 VanDerWaalsContact C-N 3.31Å; C434-R436 PolarHBondContact O-N 3.11Å
435	D	81.6	Confident	71.2	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.08	25%	0.252	C	S	.	.			trans	60.8	34	-177.8	-161.4	20.7	0	0	0	114.2	F375 M379 W388 K394 C431	F375-D435 HydrophobicContact CZ-CB 4.48Å; F375-D435 VanDerWaalsContact CZ-OD2 3.31Å; F375-D435 WeakPolarHBondContact CZ-OD2 3.32Å; M379-D435 HydrophobicContact CE-CB 3.7Å; W388-D435 PolarHBondContact NE1-OD2 2.81Å; K394-D435 WeakPolarHBondContact CD-O 3.2Å; K394-D435 WeakPolarHBondContact CE-O 3.17Å; K394-D435 WeakPolarHBondContact CE-OD1 3.35Å; K394-D435 PolarHBondContact NZ-O 3.33Å; K394-D435 IonicContact NZ-OD1 3.95Å; K394-D435 PolarHBondContact NZ-OD1 2.97Å; K394-D435 IonicContact NZ-OD2 2.91Å; K394-D435 PolarHBondContact NZ-OD2 2.85Å; C431-D435 WeakPolarHBondContact O-CA 3.44Å; C431-D435 PolarHBondContact O-N 3.18Å
436	R	80.9	Confident	72.2	Confident	92 Å²	92	49.9 Å²	49.9	35%	0.347	25%	0.247	S	C	.	.			trans	-86.1	143.4	166	-72.1	-170.5	-178.1	93.5	-3.8	111.1	Y386 F430 C431 C434 F438	Y386-R436 HydrophobicContact CE1-CG 4.39Å; Y386-R436 HydrophobicContact CE2-CG 3.97Å; Y386-R436 WeakPolarHBondContact OH-CG 3.25Å; F430-R436 WeakPolarHBondContact CA-O 3.21Å; C431-R436 PolarHBondContact N-O 2.64Å; C434-R436 VanDerWaalsContact C-N 3.31Å; C434-R436 PolarHBondContact O-N 3.11Å; R436-F438 HydrophobicContact CB-CD2 4.43Å; R436-F438 HydrophobicContact CB-CE2 3.63Å; R436-F438 HydrophobicContact CB-CZ 3.97Å; R436-F438 WeakPolarHBondContact O-CD2 3.31Å
437	G	81	Confident	72.4	Confident	1 Å²	1	45 Å²	45	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	140.7	172.6	0	0	0	0	0	112.5	C396 A397 L429	C396-G437 CarbonylContact C-O 3.39Å; C396-G437 VanDerWaalsContact CA-O 3.31Å; C396-G437 WeakPolarHBondContact CA-O 3.24Å; A397-G437 PolarHBondContact N-O 2.95Å; L429-G437 CarbonylContact O-C 3.58Å; L429-G437 VanDerWaalsContact O-CA 3.28Å; L429-G437 WeakPolarHBondContact O-CA 3.34Å
438	F	79	Confident	72.5	Confident	51 Å²	51	49.9 Å²	49.9	22%	0.224	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	118.8	173.4	-62.1	-86.5	0	0	0	110.1	A397 V398 L429 C431 R436 M440 L443	A397-F438 HydrophobicContact CB-CD1 4.42Å; A397-F438 HydrophobicContact CB-CE1 3.92Å; A397-F438 HydrophobicContact CB-CZ 4.28Å; V398-F438 HydrophobicContact CG2-CD1 4.17Å; L429-F438 PolarHBondContact N-O 3.09Å; L429-F438 PolarHBondContact O-N 3.39Å; C431-F438 HydrophobicContact CB-CD2 4.48Å; C431-F438 HydrophobicContact CB-CE2 4.02Å; R436-F438 HydrophobicContact CB-CD2 4.43Å; R436-F438 HydrophobicContact CB-CE2 3.63Å; R436-F438 HydrophobicContact CB-CZ 3.97Å; R436-F438 WeakPolarHBondContact O-CD2 3.31Å; F438-M440 PolarHBondContact O-N 3.46Å; F438-L443 HydrophobicContact CB-CD2 3.84Å; F438-L443 HydrophobicContact CB-CG 4.21Å; F438-L443 HydrophobicContact CD1-CD2 3.99Å; F438-L443 HydrophobicContact CG-CD2 4.06Å
439	H	77.7	Confident	71.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	134.3	169.1	-66.3	129	0	0	0	109.2	C396 C399 T401 E403 N404 Q427 Y441 C442 L443	C396-H439 VanDerWaalsContact CB-ND1 3.27Å; C396-H439 WeakPolarHBondContact CB-ND1 3.45Å; C396-H439 PolarHBondContact SG-N 2.83Å; C399-H439 PolarHBondContact SG-ND1 3Å; T401-H439 PolarHBondContact O-CE1 2.92Å; T401-H439 PolarHBondContact OG1-CE1 2.98Å; E403-H439 PolarHBondContact O-CE1 3.14Å; N404-H439 PolarHBondContact OD1-CD2 3.25Å; N404-H439 PolarHBondContact OD1-NE2 2.74Å; Q427-H439 CarbonylContact O-C 3.48Å; Q427-H439 VanDerWaalsContact O-CA 3.25Å; Q427-H439 WeakPolarHBondContact O-CA 3.49Å; H439-Y441 HydrophobicContact CB-CD1 3.92Å; H439-Y441 HydrophobicContact CB-CD2 4Å; H439-Y441 HydrophobicContact CB-CE1 3.66Å; H439-Y441 HydrophobicContact CB-CE2 3.74Å; H439-Y441 HydrophobicContact CB-CG 4.11Å; H439-Y441 AromaticContact CG-CE1 3.82Å; H439-Y441 AromaticContact CG-CE2 3.95Å; H439-Y441 AromaticContact CG-CZ 3.48Å; H439-Y441 VanDerWaalsContact CG-CZ 3.48Å; H439-Y441 AromaticContact ND1-CE2 3.93Å; H439-Y441 AromaticContact ND1-CZ 3.65Å; H439-Y441 PolarHBondContact ND1-OH 2.92Å; H439-Y441 PolarHBondContact O-N 3.27Å; H439-Y441 VanDerWaalsContact O-N 3.11Å; H439-C442 HydrophobicContact CB-CB 3.93Å; H439-C442 WeakPolarHBondContact O-CA 3.47Å; H439-C442 WeakPolarHBondContact O-CB 3.45Å; H439-C442 PolarHBondContact O-N 3.36Å; H439-L443 PolarHBondContact O-N 3.22Å
440	M	68.9	Low	70.9	Confident	6 Å²	6	50 Å²	50	3%	0.03	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.9	177.2	-69.8	169.3	51.3	0	0	112.4	Q427 L429 F438 K446 L447 A449 P450	Q427-M440 HydrophobicContact CB-SD 4.28Å; Q427-M440 WeakPolarHBondContact O-CG 3.32Å; Q427-M440 PolarHBondContact O-N 2.86Å; L429-M440 HydrophobicContact CD1-CG 3.69Å; L429-M440 HydrophobicContact CD2-CG 4.34Å; L429-M440 HydrophobicContact CG-CG 3.73Å; F438-M440 PolarHBondContact O-N 3.46Å; M440-K446 WeakPolarHBondContact O-CA 3.38Å; M440-L447 HydrophobicContact CB-CB 4.15Å; M440-L447 HydrophobicContact CE-CB 4.32Å; M440-L447 WeakPolarHBondContact CE-O 3.48Å; M440-L447 HydrophobicContact CG-CB 4.33Å; M440-L447 PolarHBondContact O-N 3.04Å; M440-A449 VanDerWaalsContact CE-CA 3.47Å; M440-A449 VanDerWaalsContact CE-N 3.34Å; M440-P450 HydrophobicContact SD-CG 3.93Å
441	Y	70.2	Confident	69.8	Low	33 Å²	33	48.4 Å²	48.4	13%	0.129	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11	176.3	60.8	-103.4	0	0	0	115.4	E403 D405 Q427 H439 K446	E403-Y441 PolarHBondContact O-OH 2.87Å; D405-Y441 PolarHBondContact N-OH 3.26Å; D405-Y441 VanDerWaalsContact N-OH 3.08Å; Q427-Y441 HydrophobicContact CB-CE1 4.44Å; H439-Y441 HydrophobicContact CB-CD1 3.92Å; H439-Y441 HydrophobicContact CB-CD2 4Å; H439-Y441 HydrophobicContact CB-CE1 3.66Å; H439-Y441 HydrophobicContact CB-CE2 3.74Å; H439-Y441 HydrophobicContact CB-CG 4.11Å; H439-Y441 AromaticContact CG-CE1 3.82Å; H439-Y441 AromaticContact CG-CE2 3.95Å; H439-Y441 AromaticContact CG-CZ 3.48Å; H439-Y441 VanDerWaalsContact CG-CZ 3.48Å; H439-Y441 AromaticContact ND1-CE2 3.93Å; H439-Y441 AromaticContact ND1-CZ 3.65Å; H439-Y441 PolarHBondContact ND1-OH 2.92Å; H439-Y441 PolarHBondContact O-N 3.27Å; H439-Y441 VanDerWaalsContact O-N 3.11Å; Y441-K446 WeakPolarHBondContact O-CD 3.48Å; Y441-K446 WeakPolarHBondContact O-CE 3.29Å
442	C	67.9	Low	68.5	Low	27 Å²	27	53.8 Å²	53.8	18%	0.182	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.8	172.3	-76	0	0	0	0	112.8	V398 C399 H439	V398-C442 HydrophobicContact CB-CB 3.84Å; V398-C442 HydrophobicContact CG1-CB 4.01Å; V398-C442 HydrophobicContact CG2-CB 4.17Å; C399-C442 VanDerWaalsContact SG-SG 3.65Å; H439-C442 HydrophobicContact CB-CB 3.93Å; H439-C442 WeakPolarHBondContact O-CA 3.47Å; H439-C442 WeakPolarHBondContact O-CB 3.45Å; H439-C442 PolarHBondContact O-N 3.36Å
443	L	66.4	Low	67	Low	46 Å²	46	57.8 Å²	57.8	24%	0.241	29%	0.294	C	S	.	.	S	Bend	trans	-69.7	155.5	171.4	-64.7	174.2	0	0	0	111.2	L429 F438 H439 P445 K446 L447	L429-L443 HydrophobicContact CD1-CD1 3.93Å; F438-L443 HydrophobicContact CB-CD2 3.84Å; F438-L443 HydrophobicContact CB-CG 4.21Å; F438-L443 HydrophobicContact CD1-CD2 3.99Å; F438-L443 HydrophobicContact CG-CD2 4.06Å; H439-L443 PolarHBondContact O-N 3.22Å; L443-P445 CarbonylContact C-O 3.37Å; L443-P445 VanDerWaalsContact C-O 3.25Å; L443-P445 WeakPolarHBondContact CB-O 3.44Å; L443-P445 CarbonylContact O-C 3.46Å; L443-K446 WeakPolarHBondContact O-CA 3.4Å; L443-K446 WeakPolarHBondContact O-CG 3.43Å; L443-K446 PolarHBondContact O-N 2.98Å; L443-L447 HydrophobicContact CD1-CD1 3.61Å; L443-L447 HydrophobicContact CD1-CG 3.99Å
444	M	61.4	Low	65.4	Low	161 Å²	161	59.6 Å²	59.6	79%	0.793	31%	0.309	S	S	*	.	S	Bend	trans	-130.4	110.8	174.5	-71.3	-175.6	64.5	0	0	109.1
445	P	60.1	Low	63.4	Low	51 Å²	51	62.4 Å²	62.4	33%	0.331	33%	0.329	S	S	.	.	S	Bend	cis	-63	156.4	-3.7	29.2	-35.4	0	0	0	112.6	L443 A529	L443-P445 CarbonylContact C-O 3.37Å; L443-P445 VanDerWaalsContact C-O 3.25Å; L443-P445 WeakPolarHBondContact CB-O 3.44Å; L443-P445 CarbonylContact O-C 3.46Å; P445-A529 HydrophobicContact CB-CB 4.31Å
446	K	65.1	Low	61.2	Low	90 Å²	90	64.6 Å²	64.6	39%	0.391	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.2	131.8	174.9	-62.9	-172.7	179.1	-161.8	0	109.4	M440 Y441 L443	M440-K446 WeakPolarHBondContact O-CA 3.38Å; Y441-K446 WeakPolarHBondContact O-CD 3.48Å; Y441-K446 WeakPolarHBondContact O-CE 3.29Å; L443-K446 WeakPolarHBondContact O-CA 3.4Å; L443-K446 WeakPolarHBondContact O-CG 3.43Å; L443-K446 PolarHBondContact O-N 2.98Å
447	L	60.7	Low	59	Low	27 Å²	27	63.4 Å²	63.4	14%	0.141	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-81.8	137.3	173.6	-66.5	-179.6	0	0	0	110	L429 M440 L443 F467	L429-L447 HydrophobicContact CD1-CD1 3.63Å; M440-L447 HydrophobicContact CB-CB 4.15Å; M440-L447 HydrophobicContact CE-CB 4.32Å; M440-L447 WeakPolarHBondContact CE-O 3.48Å; M440-L447 HydrophobicContact CG-CB 4.33Å; M440-L447 PolarHBondContact O-N 3.04Å; L443-L447 HydrophobicContact CD1-CD1 3.61Å; L443-L447 HydrophobicContact CD1-CG 3.99Å; L447-F467 HydrophobicContact CD1-CE1 3.68Å; L447-F467 HydrophobicContact CD1-CZ 3.94Å; L447-F467 HydrophobicContact CD2-CD1 4.18Å; L447-F467 HydrophobicContact CD2-CE1 3.85Å; L447-F467 HydrophobicContact CD2-CZ 4.32Å; L447-F467 HydrophobicContact CG-CE1 4.46Å
448	L	62	Low	56.8	Low	120 Å²	120	69 Å²	69	63%	0.628	36%	0.364	S	S	*	.	S	Bend	trans	-95.7	-19.6	174.5	-63.9	177.5	0	0	0	112.2	F420	F420-L448 VanDerWaalsContact CE2-O 3.28Å; F420-L448 WeakPolarHBondContact CE2-O 3.21Å; F420-L448 HydrophobicContact CZ-CB 4.22Å; F420-L448 VanDerWaalsContact CZ-O 3.23Å; F420-L448 WeakPolarHBondContact CZ-O 3.11Å
449	A	59.2	Low	54.9	Low	39 Å²	39	67.8 Å²	67.8	32%	0.322	36%	0.361	S	S	.	.	S	Bend	trans	-138.7	146.1	172.9	0	0	0	0	0	108.2	F423 M440	F423-A449 HydrophobicContact CE1-CB 3.81Å; M440-A449 VanDerWaalsContact CE-CA 3.47Å; M440-A449 VanDerWaalsContact CE-N 3.34Å
450	P	62.2	Low	52.9	Low	31 Å²	31	69.6 Å²	69.6	20%	0.201	37%	0.371	C	S	.	.			trans	-47.9	146.8	153.6	-23.7	33.9	0	0	0	110.8	F423 L429 M440 E452	F423-P450 VanDerWaalsContact CE1-CD 3.43Å; F423-P450 HydrophobicContact CE1-CG 4.28Å; F423-P450 HydrophobicContact CE2-CG 4.1Å; F423-P450 HydrophobicContact CZ-CB 4.25Å; F423-P450 VanDerWaalsContact CZ-CD 3.48Å; F423-P450 HydrophobicContact CZ-CG 3.83Å; L429-P450 HydrophobicContact CD2-CB 3.76Å; L429-P450 HydrophobicContact CD2-CG 4.02Å; M440-P450 HydrophobicContact SD-CG 3.93Å; P450-E452 PolarHBondContact O-N 3.17Å
451	P	59	Low	51.3	Low	51 Å²	51	76.7 Å²	76.7	33%	0.331	41%	0.409	S	S	.	.			trans	-60.5	129	175.2	21.8	-29.4	0	0	0	111.5	E453 F467	P451-E453 PolarHBondContact O-N 3.13Å; P451-F467 HydrophobicContact CB-CD1 3.82Å; P451-F467 HydrophobicContact CB-CE1 3.66Å; P451-F467 HydrophobicContact CG-CE1 3.86Å
452	E	51.3	Low	49.4	Very low	153 Å²	153	76 Å²	76	72%	0.715	41%	0.408	S	S	*	.	S	Bend	trans	-75.5	103	162.8	-69.2	-179.6	-177.3	0	0	108	P450	P450-E452 PolarHBondContact O-N 3.17Å
453	E	45.6	Very low	48.1	Very low	172 Å²	172	81.5 Å²	81.5	80%	0.804	43%	0.425	S	S	*	.	S	Bend	trans	70.9	115.1	176.4	-51	-165.2	-164.3	0	0	116	P451 C455	P451-E453 PolarHBondContact O-N 3.13Å; E453-C455 PolarHBondContact O-N 3.25Å; E453-C455 VanDerWaalsContact O-N 3.1Å
454	S	36.1	Very low	46.7	Very low	71 Å²	71	82 Å²	82	50%	0.497	43%	0.427	S	S	.	.			trans	-81.5	87	-175	40.7	0	0	0	0	112.9	L456	S454-L456 VanDerWaalsContact C-N 3.34Å; S454-L456 PolarHBondContact O-N 2.84Å; S454-L456 VanDerWaalsContact O-N 3.1Å
455	C	34.6	Very low	45.6	Very low	74 Å²	74	78.5 Å²	78.5	50%	0.5	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	84.2	163	-73.2	0	0	0	0	110.2	E453 I466	E453-C455 PolarHBondContact O-N 3.25Å; E453-C455 VanDerWaalsContact O-N 3.1Å; C455-I466 HydrophobicContact CB-CB 3.99Å; C455-I466 HydrophobicContact CB-CD1 4.23Å; C455-I466 HydrophobicContact CB-CG1 4.48Å; C455-I466 WeakPolarHBondContact O-CB 3.42Å; C455-I466 PolarHBondContact O-N 3.17Å
456	L	35.5	Very low	44.6	Very low	61 Å²	61	79.2 Å²	79.2	32%	0.319	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	114.4	157.2	-83	165.6	0	0	0	108.1	D433 S454 W463 E464 L465	D433-L456 WeakPolarHBondContact OD2-CD1 3.44Å; S454-L456 VanDerWaalsContact C-N 3.34Å; S454-L456 PolarHBondContact O-N 2.84Å; S454-L456 VanDerWaalsContact O-N 3.1Å; L456-W463 HydrophobicContact CD2-CB 4.36Å; L456-E464 CarbonylContact C-O 3.54Å; L456-E464 WeakPolarHBondContact CA-O 3.47Å; L456-L465 HydrophobicContact CD2-CB 4.27Å; L456-L465 HydrophobicContact CD2-CD1 4.08Å; L456-L465 HydrophobicContact CD2-CG 3.81Å; L456-L465 HydrophobicContact CG-CG 4.35Å
457	Q	34.9	Very low	43.4	Very low	67 Å²	67	78.1 Å²	78.1	31%	0.313	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.6	172.1	-163.4	169.4	-20.2	0	0	109	V459 E464 I466	Q457-V459 HydrophobicContact CB-CG2 4.17Å; Q457-V459 HydrophobicContact CG-CG2 3.82Å; Q457-V459 PolarHBondContact O-N 3.42Å; Q457-V459 VanDerWaalsContact O-N 3.11Å; Q457-E464 PolarHBondContact N-O 3.26Å; Q457-E464 PolarHBondContact O-N 3.11Å; Q457-I466 HydrophobicContact CB-CD1 4.05Å
458	E	34.3	Very low	42.1	Very low	117 Å²	117	83 Å²	83	55%	0.547	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	107.4	164.9	-171.2	173.5	-164.6	0	0	106.4	W463 C480	E458-W463 HydrophobicContact CB-CE3 4.34Å; E458-W463 HydrophobicContact CB-CH2 4.48Å; E458-W463 HydrophobicContact CB-CZ3 4.11Å; E458-C480 PolarHBondContact O-SG 3.32Å
459	V	39.9	Very low	40.8	Very low	27 Å²	27	79.3 Å²	79.3	16%	0.164	43%	0.428	C	S	.	.			trans	-127.7	113.6	172.9	179.7	0	0	0	0	104.9	Q457 S462 E464 C480	Q457-V459 HydrophobicContact CB-CG2 4.17Å; Q457-V459 HydrophobicContact CG-CG2 3.82Å; Q457-V459 PolarHBondContact O-N 3.42Å; Q457-V459 VanDerWaalsContact O-N 3.11Å; V459-S462 CarbonylContact C-O 3.56Å; V459-S462 PolarHBondContact N-O 2.87Å; V459-S462 VanDerWaalsContact N-O 3.14Å; V459-S462 PolarHBondContact O-OG 2.83Å; V459-E464 HydrophobicContact CB-CG 4.1Å; V459-E464 HydrophobicContact CG2-CG 4.41Å; V459-C480 HydrophobicContact CB-CB 4.28Å; V459-C480 HydrophobicContact CG1-CB 4.01Å; V459-C480 HydrophobicContact CG2-CB 4.24Å
460	D	34.8	Very low	39.6	Very low	38 Å²	38	85.9 Å²	85.9	20%	0.203	46%	0.458	C	S	.	.	S	Bend	trans	65.3	-162.3	-169.8	-45.6	-22.5	0	0	0	113.7	S462 A477 S478 D479	D460-S462 WeakPolarHBondContact CB-OG 3.09Å; D460-S462 PolarHBondContact O-N 3.14Å; D460-A477 HydrophobicContact CB-CB 3.88Å; D460-A477 VanDerWaalsContact CG-C 3.45Å; D460-A477 WeakPolarHBondContact OD2-CA 3.4Å; D460-A477 PolarHBondContact OD2-N 2.88Å; D460-S478 VanDerWaalsContact OD1-C 3.26Å; D460-S478 WeakPolarHBondContact OD1-CA 2.9Å; D460-S478 PolarHBondContact OD2-N 3.11Å; D460-D479 WeakPolarHBondContact OD1-CA 3.21Å; D460-D479 PolarHBondContact OD1-N 3.44Å; D460-D479 VanDerWaalsContact OD1-N 3.16Å
461	D	36.8	Very low	38.5	Very low	155 Å²	155	86.3 Å²	86.3	83%	0.829	46%	0.462	S	S	*	.	S	Bend	trans	-72.2	40.4	170.4	-158.8	2.7	0	0	0	111.4	A477	D461-A477 HydrophobicContact CB-CB 4.05Å
462	S	28.8	Very low	37.2	Very low	17 Å²	17	87.5 Å²	87.5	12%	0.119	47%	0.468	C	S	.	.	S	Bend	trans	-155.5	143.8	-168.4	38.4	0	0	0	0	112.4	V459 D460 L475 G476	V459-S462 CarbonylContact C-O 3.56Å; V459-S462 PolarHBondContact N-O 2.87Å; V459-S462 VanDerWaalsContact N-O 3.14Å; V459-S462 PolarHBondContact O-OG 2.83Å; D460-S462 WeakPolarHBondContact CB-OG 3.09Å; D460-S462 PolarHBondContact O-N 3.14Å; S462-L475 WeakPolarHBondContact CB-O 3.34Å; S462-L475 PolarHBondContact OG-O 3.43Å; S462-G476 WeakPolarHBondContact OG-CA 3.06Å
463	W	40.9	Very low	36.5	Very low	143 Å²	143	86.4 Å²	86.4	54%	0.542	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.8	179.7	-60.3	84.6	0	0	0	109.5	L456 E458	L456-W463 HydrophobicContact CD2-CB 4.36Å; E458-W463 HydrophobicContact CB-CE3 4.34Å; E458-W463 HydrophobicContact CB-CH2 4.48Å; E458-W463 HydrophobicContact CB-CZ3 4.11Å
464	E	36.5	Very low	35.9	Very low	57 Å²	57	83.8 Å²	83.8	27%	0.266	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.1	175.3	-68.1	-162.2	145.9	0	0	111.1	L456 Q457 V459	L456-E464 CarbonylContact C-O 3.54Å; L456-E464 WeakPolarHBondContact CA-O 3.47Å; Q457-E464 PolarHBondContact N-O 3.26Å; Q457-E464 PolarHBondContact O-N 3.11Å; V459-E464 HydrophobicContact CB-CG 4.1Å; V459-E464 HydrophobicContact CG2-CG 4.41Å
465	L	39.8	Very low	35.6	Very low	87 Å²	87	87.2 Å²	87.2	46%	0.455	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	101.1	177.7	-137.8	157.4	0	0	0	108.4	L456 F467	L456-L465 HydrophobicContact CD2-CB 4.27Å; L456-L465 HydrophobicContact CD2-CD1 4.08Å; L456-L465 HydrophobicContact CD2-CG 3.81Å; L456-L465 HydrophobicContact CG-CG 4.35Å; L465-F467 HydrophobicContact CB-CE2 4.38Å; L465-F467 HydrophobicContact CD2-CD2 4.38Å; L465-F467 HydrophobicContact CD2-CE2 3.7Å; L465-F467 HydrophobicContact CD2-CZ 3.81Å; L465-F467 WeakPolarHBondContact O-CD2 3.5Å; L465-F467 PolarHBondContact O-N 3.06Å
466	I	38.6	Very low	35.3	Very low	67 Å²	67	86.2 Å²	86.2	34%	0.344	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.7	-172.6	-57.1	174.7	0	0	0	109.7	C455 Q457	C455-I466 HydrophobicContact CB-CB 3.99Å; C455-I466 HydrophobicContact CB-CD1 4.23Å; C455-I466 HydrophobicContact CB-CG1 4.48Å; C455-I466 WeakPolarHBondContact O-CB 3.42Å; C455-I466 PolarHBondContact O-N 3.17Å; Q457-I466 HydrophobicContact CB-CD1 4.05Å
467	F	39	Very low	34.9	Very low	67 Å²	67	86.6 Å²	86.6	29%	0.294	48%	0.476	S	S	.	.			trans	-97.9	125.3	169.3	-67.9	-93.2	0	0	0	110.4	L447 P451 L465 G469	L447-F467 HydrophobicContact CD1-CE1 3.68Å; L447-F467 HydrophobicContact CD1-CZ 3.94Å; L447-F467 HydrophobicContact CD2-CD1 4.18Å; L447-F467 HydrophobicContact CD2-CE1 3.85Å; L447-F467 HydrophobicContact CD2-CZ 4.32Å; L447-F467 HydrophobicContact CG-CE1 4.46Å; P451-F467 HydrophobicContact CB-CD1 3.82Å; P451-F467 HydrophobicContact CB-CE1 3.66Å; P451-F467 HydrophobicContact CG-CE1 3.86Å; L465-F467 HydrophobicContact CB-CE2 4.38Å; L465-F467 HydrophobicContact CD2-CD2 4.38Å; L465-F467 HydrophobicContact CD2-CE2 3.7Å; L465-F467 HydrophobicContact CD2-CZ 3.81Å; L465-F467 WeakPolarHBondContact O-CD2 3.5Å; L465-F467 PolarHBondContact O-N 3.06Å; F467-G469 PolarHBondContact O-N 3.39Å
468	T	35.3	Very low	34.7	Very low	128 Å²	128	87.1 Å²	87.1	79%	0.785	49%	0.487	S	S	*	.	S	Bend	trans	-73.1	60.1	172.2	44.9	0	0	0	0	111.9
469	G	33.9	Very low	34.5	Very low	43 Å²	43	88.1 Å²	88.1	44%	0.443	50%	0.496	S	S	.	.	S	Bend	trans	172.7	87.7	-179.9	0	0	0	0	0	115.8	F467 S471	F467-G469 PolarHBondContact O-N 3.39Å; G469-S471 PolarHBondContact O-N 3.41Å
470	N	34.4	Very low	34	Very low	177 Å²	177	90.3 Å²	90.3	95%	0.947	51%	0.512	S	S	*	.	S	Bend	trans	50.2	17.3	158.8	-64.7	-2.4	0	0	0	119
471	S	38.6	Very low	33.9	Very low	40 Å²	40	96 Å²	96	28%	0.28	54%	0.541	S	S	.	.			trans	-131.8	122	177.1	-59.9	0	0	0	0	110.1	G469	G469-S471 PolarHBondContact O-N 3.41Å
472	T	32.2	Very low	33.7	Very low	77 Å²	77	93.7 Å²	93.7	47%	0.472	54%	0.535	S	S	.	.			trans	-135.3	139.2	176.4	37.8	0	0	0	0	110.6	P489 R531	T472-P489 HydrophobicContact CG2-CB 4.26Å; T472-P489 HydrophobicContact CG2-CG 4.32Å; T472-R531 PolarHBondContact O-NH2 2.75Å; T472-R531 PolarHBondContact OG1-NH1 3.16Å; T472-R531 VanDerWaalsContact OG1-NH1 3.12Å; T472-R531 PolarHBondContact OG1-NH2 2.7Å; T472-R531 VanDerWaalsContact OG1-NH2 3.13Å
473	L	35.4	Very low	34.1	Very low	129 Å²	129	97.2 Å²	97.2	68%	0.675	56%	0.556	S	S	*	*			trans	-132	124.4	177.3	-172.3	84	0	0	0	107
474	W	33.7	Very low	33.7	Very low	117 Å²	117	96.8 Å²	96.8	44%	0.443	57%	0.569	S	S	.	*			trans	-103.5	138.5	176.5	-49.2	80.7	0	0	0	110.8	P489 R531 L566	W474-P489 HydrophobicContact CZ2-CG 4.36Å; W474-R531 VanDerWaalsContact NE1-NH2 3.16Å; W474-L566 HydrophobicContact CB-CD2 3.65Å; W474-L566 HydrophobicContact CG-CD2 4.01Å
475	L	29.6	Very low	33.6	Very low	143 Å²	143	103.8 Å²	103.8	75%	0.749	60%	0.599	S	S	*	*			trans	-147.7	89.1	163.9	-66.6	174.5	0	0	0	106.6	S462	S462-L475 WeakPolarHBondContact CB-O 3.34Å; S462-L475 PolarHBondContact OG-O 3.43Å
476	G	28.6	Very low	33.4	Very low	54 Å²	54	105.4 Å²	105.4	56%	0.557	61%	0.612	S	S	*	*			trans	-111.8	-167.6	-162.6	0	0	0	0	0	117.5	S462	S462-G476 WeakPolarHBondContact OG-CA 3.06Å
477	A	27.2	Very low	33.3	Very low	68 Å²	68	105 Å²	105	56%	0.562	62%	0.624	S	S	*	*			trans	-156.1	-100.2	166.7	0	0	0	0	0	114.8	D460 D461	D460-A477 HydrophobicContact CB-CB 3.88Å; D460-A477 VanDerWaalsContact CG-C 3.45Å; D460-A477 WeakPolarHBondContact OD2-CA 3.4Å; D460-A477 PolarHBondContact OD2-N 2.88Å; D461-A477 HydrophobicContact CB-CB 4.05Å
478	S	29.2	Very low	33.4	Very low	78 Å²	78	106 Å²	106	55%	0.545	64%	0.64	S	S	.	*	S	Bend	trans	-164.1	142.4	167.3	54.8	0	0	0	0	109.2	D460	D460-S478 VanDerWaalsContact OD1-C 3.26Å; D460-S478 WeakPolarHBondContact OD1-CA 2.9Å; D460-S478 PolarHBondContact OD2-N 3.11Å
479	D	31	Very low	34.1	Very low	138 Å²	138	101.8 Å²	101.8	74%	0.738	61%	0.614	S	S	*	*			cis	-142.8	161	-0.9	-68	-68.8	0	0	0	110.4	D460	D460-D479 WeakPolarHBondContact OD1-CA 3.21Å; D460-D479 PolarHBondContact OD1-N 3.44Å; D460-D479 VanDerWaalsContact OD1-N 3.16Å
480	C	28.5	Very low	35.5	Very low	74 Å²	74	106 Å²	106	50%	0.5	63%	0.632	S	S	.	*			trans	-148.1	147.2	160.6	-127.7	0	0	0	0	113.7	E458 V459	E458-C480 PolarHBondContact O-SG 3.32Å; V459-C480 HydrophobicContact CB-CB 4.28Å; V459-C480 HydrophobicContact CG1-CB 4.01Å; V459-C480 HydrophobicContact CG2-CB 4.24Å
481	L	34.1	Very low	37	Very low	156 Å²	156	101.1 Å²	101.1	82%	0.817	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-94.1	157.8	-172.6	-99.4	99.3	0	0	0	114.8
482	P	32.8	Very low	39.1	Very low	108 Å²	108	102.2 Å²	102.2	70%	0.701	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-94.6	131	-139.9	33.8	-36.3	0	0	0	115.8	T484	P482-T484 PolarHBondContact O-N 2.83Å
483	T	36.7	Very low	41.9	Very low	91 Å²	91	98.8 Å²	98.8	56%	0.558	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.6	156	-42.3	0	0	0	0	108.8	F485 V486	T483-F485 PolarHBondContact O-N 3.12Å; T483-V486 HydrophobicContact CG2-CG2 4.36Å
484	T	32.9	Very low	44.6	Very low	133 Å²	133	92.7 Å²	92.7	82%	0.816	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	109.6	-177	41.4	0	0	0	0	111.8	P482	P482-T484 PolarHBondContact O-N 2.83Å
485	F	33.3	Very low	47.4	Very low	205 Å²	205	87.1 Å²	87.1	90%	0.899	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	44	167.2	-111.3	-89.1	0	0	0	117.9	T483	T483-F485 PolarHBondContact O-N 3.12Å
486	V	36.6	Very low	50.4	Low	121 Å²	121	81.6 Å²	81.6	73%	0.733	50%	0.503	S	S	*	.			trans	-76.7	115.5	147	-176.3	0	0	0	0	107.2	T483 S488	T483-V486 HydrophobicContact CG2-CG2 4.36Å; V486-S488 PolarHBondContact O-N 3.13Å
487	G	35.4	Very low	53.4	Low	58 Å²	58	79.3 Å²	79.3	60%	0.598	48%	0.478	S	S	*	.			trans	-63	130.6	-177.2	0	0	0	0	0	111.6
488	S	42	Very low	56.3	Low	88 Å²	88	80.8 Å²	80.8	62%	0.615	48%	0.484	S	S	*	.			trans	-53	135.3	174.4	-175.5	0	0	0	0	110.1	V486 V490	V486-S488 PolarHBondContact O-N 3.13Å; S488-V490 PolarHBondContact O-N 3.31Å
489	P	50	Low	59.1	Low	39 Å²	39	79.5 Å²	79.5	25%	0.253	48%	0.478	S	S	.	.			trans	-52.6	115.7	-176.2	18.5	-32.4	0	0	0	110.9	T472 W474 W491	T472-P489 HydrophobicContact CG2-CB 4.26Å; T472-P489 HydrophobicContact CG2-CG 4.32Å; W474-P489 HydrophobicContact CZ2-CG 4.36Å; P489-W491 PolarHBondContact O-N 2.77Å
490	V	62.7	Low	61.9	Low	133 Å²	133	74.9 Å²	74.9	81%	0.806	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-67.4	123.8	-167.7	-178.6	0	0	0	0	110.3	S488 T492	S488-V490 PolarHBondContact O-N 3.31Å; V490-T492 PolarHBondContact O-N 3.08Å
491	W	67.3	Low	64.6	Low	73 Å²	73	78.9 Å²	78.9	28%	0.277	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-66.8	123.2	170.7	-68.6	87.7	0	0	0	109.7	P489 R531 N533 A565 T569	P489-W491 PolarHBondContact O-N 2.77Å; W491-R531 HydrophobicContact CD2-CB 4.41Å; W491-R531 VanDerWaalsContact CE3-C 3.48Å; W491-R531 HydrophobicContact CE3-CB 3.85Å; W491-R531 HydrophobicContact CH2-CB 4.48Å; W491-R531 HydrophobicContact CZ3-CB 3.89Å; W491-N533 HydrophobicContact CB-CB 4.26Å; W491-A565 WeakPolarHBondContact CH2-O 3.48Å; W491-T569 HydrophobicContact CD2-CG2 3.86Å; W491-T569 HydrophobicContact CE3-CG2 4Å; W491-T569 HydrophobicContact CH2-CG2 3.65Å; W491-T569 HydrophobicContact CZ2-CG2 3.45Å; W491-T569 VanDerWaalsContact CZ2-CG2 3.45Å; W491-T569 HydrophobicContact CZ3-CG2 3.91Å
492	T	82.5	Confident	66.9	Low	64 Å²	64	74.2 Å²	74.2	39%	0.393	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.6	166.2	57.5	0	0	0	0	108.2	V490 R531 V532 N533	V490-T492 PolarHBondContact O-N 3.08Å; T492-R531 PolarHBondContact N-O 3.03Å; T492-R531 PolarHBondContact OG1-O 3.41Å; T492-R531 VanDerWaalsContact OG1-O 3.05Å; T492-V532 CarbonylContact O-C 3.42Å; T492-V532 VanDerWaalsContact O-CA 3.24Å; T492-V532 WeakPolarHBondContact O-CA 3.38Å; T492-N533 PolarHBondContact O-N 2.88Å
493	S	89.5	Confident	68.8	Low	5 Å²	5	73.7 Å²	73.7	4%	0.035	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.8	178.8	-173.3	0	0	0	0	110.8	W495 D496 H602	S493-W495 PolarHBondContact O-N 3.32Å; S493-W495 PolarHBondContact OG-N 3.42Å; S493-D496 WeakPolarHBondContact O-CB 3.35Å; S493-D496 PolarHBondContact O-N 3.27Å; S493-D496 VanDerWaalsContact O-N 3.13Å; S493-H602 VanDerWaalsContact CB-CE1 3.48Å; S493-H602 WeakPolarHBondContact CB-CE1 3Å; S493-H602 WeakPolarHBondContact CB-NE2 3.43Å; S493-H602 PolarHBondContact OG-CE1 3.28Å
494	W	92.6	Very high	70.1	Confident	0 Å²	0	76 Å²	76	0%	0	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.9	166.4	-177	-76.5	0	0	0	110.9	D496 W500 V515 P516 A522 F524 V532 N533 I534 P538 V540 I573	W494-D496 VanDerWaalsContact C-N 3.34Å; W494-W500 HydrophobicContact CD2-CH2 4.37Å; W494-W500 AromaticContact CD2-CZ2 3.63Å; W494-W500 HydrophobicContact CD2-CZ2 3.63Å; W494-W500 AromaticContact CE2-CZ2 3.65Å; W494-W500 HydrophobicContact CE3-CH2 4.13Å; W494-W500 AromaticContact CE3-CZ2 3.74Å; W494-W500 HydrophobicContact CE3-CZ2 3.74Å; W494-W500 HydrophobicContact CG-CZ2 4.23Å; W494-W500 AromaticContact CH2-CH2 3.72Å; W494-W500 HydrophobicContact CH2-CH2 3.72Å; W494-W500 AromaticContact CH2-CZ2 3.96Å; W494-W500 HydrophobicContact CH2-CZ2 3.96Å; W494-W500 AromaticContact CZ2-CH2 3.93Å; W494-W500 HydrophobicContact CZ2-CH2 3.93Å; W494-W500 AromaticContact CZ2-CZ2 3.81Å; W494-W500 HydrophobicContact CZ2-CZ2 3.81Å; W494-W500 AromaticContact CZ3-CH2 3.83Å; W494-W500 HydrophobicContact CZ3-CH2 3.83Å; W494-W500 AromaticContact CZ3-CZ2 3.93Å; W494-W500 HydrophobicContact CZ3-CZ2 3.93Å; W494-W500 PolarHBondContact O-NE1 3.24Å; W494-V515 WeakPolarHBondContact O-CG1 3.38Å; W494-P516 HydrophobicContact CZ2-CB 4.21Å; W494-P516 HydrophobicContact CZ2-CG 4.48Å; W494-A522 HydrophobicContact CH2-CB 4.05Å; W494-A522 HydrophobicContact CZ2-CB 4.45Å; W494-F524 HydrophobicContact CE3-CZ 4.31Å; W494-F524 HydrophobicContact CH2-CE2 4.26Å; W494-F524 HydrophobicContact CH2-CZ 4.46Å; W494-F524 AromaticContact CZ3-CE2 3.85Å; W494-F524 HydrophobicContact CZ3-CE2 3.85Å; W494-F524 AromaticContact CZ3-CZ 3.7Å; W494-F524 HydrophobicContact CZ3-CZ 3.7Å; W494-V532 HydrophobicContact CB-CG1 3.88Å; W494-V532 HydrophobicContact CE3-CG1 4.12Å; W494-N533 VanDerWaalsContact CB-O 3.25Å; W494-N533 WeakPolarHBondContact CB-O 3.47Å; W494-N533 PolarHBondContact N-O 3.41Å; W494-I534 HydrophobicContact CB-CG2 4.21Å; W494-I534 HydrophobicContact CD2-CG2 4.17Å; W494-I534 HydrophobicContact CE3-CG2 3.55Å; W494-I534 HydrophobicContact CG-CG2 4.45Å; W494-I534 HydrophobicContact CZ3-CG2 4.32Å; W494-P538 HydrophobicContact CD2-CB 3.94Å; W494-P538 HydrophobicContact CD2-CG 3.71Å; W494-P538 HydrophobicContact CE3-CG 4.2Å; W494-P538 HydrophobicContact CG-CB 3.98Å; W494-P538 HydrophobicContact CG-CG 3.87Å; W494-P538 HydrophobicContact CZ2-CB 4.17Å; W494-P538 HydrophobicContact CZ2-CG 4.44Å; W494-P538 VanDerWaalsContact NE1-CB 3.35Å; W494-V540 HydrophobicContact CH2-CG1 3.95Å; W494-V540 HydrophobicContact CZ2-CG1 3.5Å; W494-V540 VanDerWaalsContact CZ2-CG1 3.5Å; W494-I573 HydrophobicContact CZ3-CD1 4.1Å
495	W	93.3	Very high	71.3	Confident	0 Å²	0	71 Å²	71	0%	0	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1	-177	-51	103.4	0	0	0	113.9	S493 P497 V515 S535 L536 P538 K595 E598 I599	S493-W495 PolarHBondContact O-N 3.32Å; S493-W495 PolarHBondContact OG-N 3.42Å; W495-P497 VanDerWaalsContact O-CD 3.26Å; W495-P497 WeakPolarHBondContact O-CD 3.44Å; W495-V515 HydrophobicContact CE3-CG1 4.01Å; W495-V515 HydrophobicContact CZ3-CG1 4.39Å; W495-S535 VanDerWaalsContact CD1-OG 3.27Å; W495-S535 WeakPolarHBondContact CZ2-O 3.12Å; W495-S535 PolarHBondContact NE1-O 3.21Å; W495-S535 PolarHBondContact NE1-OG 3.13Å; W495-L536 HydrophobicContact CZ2-CB 3.82Å; W495-P538 HydrophobicContact CH2-CB 3.86Å; W495-P538 HydrophobicContact CZ2-CB 3.82Å; W495-P538 HydrophobicContact CZ2-CG 4.47Å; W495-K595 HydrophobicContact CE3-CB 4.5Å; W495-K595 HydrophobicContact CH2-CD 3.89Å; W495-K595 HydrophobicContact CH2-CG 4Å; W495-K595 HydrophobicContact CZ3-CB 4.17Å; W495-K595 HydrophobicContact CZ3-CD 3.81Å; W495-K595 HydrophobicContact CZ3-CG 3.96Å; W495-E598 HydrophobicContact CB-CB 4.49Å; W495-E598 HydrophobicContact CB-CG 3.77Å; W495-E598 VanDerWaalsContact CD1-CG 3.43Å; W495-E598 HydrophobicContact CD2-CG 4.42Å; W495-E598 HydrophobicContact CG-CB 4.37Å; W495-E598 HydrophobicContact CG-CG 3.58Å; W495-I599 HydrophobicContact CB-CG1 4.04Å; W495-I599 HydrophobicContact CE3-CD1 4.32Å; W495-I599 HydrophobicContact CE3-CG1 4.14Å; W495-I599 WeakPolarHBondContact O-CA 3.04Å
496	D	92.1	Very high	72.5	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.15	40%	0.396	C	S	.	.			trans	-78.6	113.6	175	-175.6	-16.8	0	0	0	110.7	S493 W494 S498 A499 H602	S493-D496 WeakPolarHBondContact O-CB 3.35Å; S493-D496 PolarHBondContact O-N 3.27Å; S493-D496 VanDerWaalsContact O-N 3.13Å; W494-D496 VanDerWaalsContact C-N 3.34Å; D496-S498 VanDerWaalsContact CG-OG 3.28Å; D496-S498 PolarHBondContact O-N 3.11Å; D496-S498 WeakPolarHBondContact OD1-CA 3.5Å; D496-S498 WeakPolarHBondContact OD1-CB 3.32Å; D496-S498 PolarHBondContact OD1-N 2.92Å; D496-S498 PolarHBondContact OD1-OG 3.27Å; D496-S498 PolarHBondContact OD2-OG 3.19Å; D496-A499 HydrophobicContact CB-CB 4.1Å; D496-A499 PolarHBondContact O-N 3.28Å; D496-H602 HydrophobicContact CB-CB 3.87Å
497	P	91.3	Very high	73.8	Confident	5 Å²	5	68.1 Å²	68.1	3%	0.032	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-59.7	-29	177.8	-25.9	38.2	0	0	0	113.6	W495 A499 H511 M514 V515 I599 V603	W495-P497 VanDerWaalsContact O-CD 3.26Å; W495-P497 WeakPolarHBondContact O-CD 3.44Å; P497-A499 VanDerWaalsContact C-N 3.32Å; P497-H511 HydrophobicContact CG-CB 4Å; P497-M514 HydrophobicContact CB-CB 3.89Å; P497-M514 HydrophobicContact CB-CE 4.02Å; P497-M514 HydrophobicContact CB-SD 4.17Å; P497-M514 WeakPolarHBondContact O-CE 3.41Å; P497-V515 HydrophobicContact CB-CG2 4.47Å; P497-V515 HydrophobicContact CG-CG2 4.17Å; P497-I599 HydrophobicContact CG-CG2 3.64Å; P497-V603 HydrophobicContact CG-CG2 3.78Å
498	S	88.1	Confident	75.4	Confident	100 Å²	100	67.4 Å²	67.4	70%	0.699	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-77.3	-18.2	-176.9	75.5	0	0	0	0	113.4	D496 W500	D496-S498 VanDerWaalsContact CG-OG 3.28Å; D496-S498 PolarHBondContact O-N 3.11Å; D496-S498 WeakPolarHBondContact OD1-CA 3.5Å; D496-S498 WeakPolarHBondContact OD1-CB 3.32Å; D496-S498 PolarHBondContact OD1-N 2.92Å; D496-S498 PolarHBondContact OD1-OG 3.27Å; D496-S498 PolarHBondContact OD2-OG 3.19Å; S498-W500 VanDerWaalsContact C-N 3.32Å
499	A	88.5	Confident	77.1	Confident	50 Å²	50	65.3 Å²	65.3	41%	0.413	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-77	-15.9	176.2	0	0	0	0	0	113.4	D496 P497	D496-A499 HydrophobicContact CB-CB 4.1Å; D496-A499 PolarHBondContact O-N 3.28Å; P497-A499 VanDerWaalsContact C-N 3.32Å
500	W	89.9	Confident	78.8	Confident	41 Å²	41	63.8 Å²	63.8	16%	0.155	36%	0.357	C	S	.	.			trans	-105	133	-174.7	-68.6	102.8	0	0	0	113.5	W494 S498 M514 P516 A522 F524	W494-W500 HydrophobicContact CD2-CH2 4.37Å; W494-W500 AromaticContact CD2-CZ2 3.63Å; W494-W500 HydrophobicContact CD2-CZ2 3.63Å; W494-W500 AromaticContact CE2-CZ2 3.65Å; W494-W500 HydrophobicContact CE3-CH2 4.13Å; W494-W500 AromaticContact CE3-CZ2 3.74Å; W494-W500 HydrophobicContact CE3-CZ2 3.74Å; W494-W500 HydrophobicContact CG-CZ2 4.23Å; W494-W500 AromaticContact CH2-CH2 3.72Å; W494-W500 HydrophobicContact CH2-CH2 3.72Å; W494-W500 AromaticContact CH2-CZ2 3.96Å; W494-W500 HydrophobicContact CH2-CZ2 3.96Å; W494-W500 AromaticContact CZ2-CH2 3.93Å; W494-W500 HydrophobicContact CZ2-CH2 3.93Å; W494-W500 AromaticContact CZ2-CZ2 3.81Å; W494-W500 HydrophobicContact CZ2-CZ2 3.81Å; W494-W500 AromaticContact CZ3-CH2 3.83Å; W494-W500 HydrophobicContact CZ3-CH2 3.83Å; W494-W500 AromaticContact CZ3-CZ2 3.93Å; W494-W500 HydrophobicContact CZ3-CZ2 3.93Å; W494-W500 PolarHBondContact O-NE1 3.24Å; S498-W500 VanDerWaalsContact C-N 3.32Å; W500-M514 WeakPolarHBondContact CB-O 3.24Å; W500-P516 HydrophobicContact CD2-CG 3.61Å; W500-P516 HydrophobicContact CE3-CG 3.57Å; W500-P516 HydrophobicContact CG-CG 4.3Å; W500-P516 HydrophobicContact CH2-CG 3.86Å; W500-P516 HydrophobicContact CZ2-CG 3.9Å; W500-P516 HydrophobicContact CZ3-CG 3.7Å; W500-A522 HydrophobicContact CH2-CB 4.21Å; W500-A522 HydrophobicContact CZ3-CB 4.18Å; W500-F524 HydrophobicContact CH2-CE1 4.49Å; W500-F524 AromaticContact CH2-CE2 3.93Å; W500-F524 HydrophobicContact CH2-CE2 3.93Å; W500-F524 AromaticContact CH2-CZ 3.65Å; W500-F524 HydrophobicContact CH2-CZ 3.65Å; W500-F524 HydrophobicContact CZ2-CZ 4.43Å; W500-F524 HydrophobicContact CZ3-CE2 4.46Å; W500-F524 HydrophobicContact CZ3-CZ 4.35Å
501	I	85.1	Confident	80.1	Confident	159 Å²	159	58.8 Å²	58.8	82%	0.815	33%	0.325	S	S	*	.			trans	-99.2	97.2	172.7	-56.5	177.3	0	0	0	108.6	S503	I501-S503 PolarHBondContact O-N 3.22Å; I501-S503 VanDerWaalsContact O-N 3.13Å
502	V	82.7	Confident	81.2	Confident	58 Å²	58	55.3 Å²	55.3	35%	0.352	31%	0.312	S	S	.	.			trans	-70.9	108.8	177.2	-170	0	0	0	0	110.3	L509 M514	V502-L509 HydrophobicContact CB-CD1 3.79Å; V502-L509 HydrophobicContact CG1-CD1 3.84Å; V502-L509 HydrophobicContact CG2-CD1 3.71Å; V502-M514 HydrophobicContact CG2-CB 4.4Å
503	S	72.2	Confident	81.4	Confident	97 Å²	97	54.3 Å²	54.3	68%	0.678	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	136.1	169.6	-62.6	0	0	0	0	109.5	I501 G505	I501-S503 PolarHBondContact O-N 3.22Å; I501-S503 VanDerWaalsContact O-N 3.13Å; S503-G505 PolarHBondContact O-N 2.94Å
504	N	65.2	Low	81.3	Confident	138 Å²	138	56.5 Å²	56.5	74%	0.738	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	11.6	-177.9	-56.8	-19.4	0	0	0	116.7	F648	N504-F648 HydrophobicContact CB-CZ 4.08Å; N504-F648 WeakPolarHBondContact O-CE2 3.43Å; N504-F648 WeakPolarHBondContact O-CZ 3.46Å
505	G	57.7	Low	81.3	Confident	30 Å²	30	56.5 Å²	56.5	31%	0.309	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-79.5	134.1	176.9	0	0	0	0	0	113.5	S503	S503-G505 PolarHBondContact O-N 2.94Å
506	T	57.2	Low	81.3	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.258	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-68.4	126.7	172.4	24.9	0	0	0	0	113.1	P508 L509 A647 F648	T506-P508 CarbonylContact O-C 3.55Å; T506-L509 WeakPolarHBondContact O-CD2 3.42Å; T506-L509 WeakPolarHBondContact O-CG 3.04Å; T506-L509 PolarHBondContact O-N 3.22Å; T506-A647 WeakPolarHBondContact CG2-O 3.08Å; T506-F648 WeakPolarHBondContact CG2-O 3.27Å
507	R	64.5	Low	81.1	Confident	223 Å²	223	55.9 Å²	55.9	84%	0.842	31%	0.311	S	S	*	.	S	Bend	trans	-85.5	132.7	166.1	-64.5	-174.4	177.5	-146.5	-4.1	109.8
508	P	69	Low	81.1	Confident	42 Å²	42	59.2 Å²	59.2	27%	0.273	33%	0.326	S	S	.	.	S	Bend	cis	-77.3	138.1	0.3	29.9	-33.1	0	0	0	113.4	T506 H660 A662	T506-P508 CarbonylContact O-C 3.55Å; P508-H660 HydrophobicContact CG-CB 4.31Å; P508-A662 HydrophobicContact CG-CB 4.27Å; P508-A662 WeakPolarHBondContact O-CB 2.9Å
509	L	76.9	Confident	81	Confident	45 Å²	45	57.5 Å²	57.5	24%	0.236	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-95.3	151.3	165.9	-69.3	176.4	0	0	0	109.8	V502 T506 M514	V502-L509 HydrophobicContact CB-CD1 3.79Å; V502-L509 HydrophobicContact CG1-CD1 3.84Å; V502-L509 HydrophobicContact CG2-CD1 3.71Å; T506-L509 WeakPolarHBondContact O-CD2 3.42Å; T506-L509 WeakPolarHBondContact O-CG 3.04Å; T506-L509 PolarHBondContact O-N 3.22Å; L509-M514 HydrophobicContact CB-CG 3.8Å; L509-M514 HydrophobicContact CB-SD 4.45Å; L509-M514 HydrophobicContact CD1-CG 3.97Å
510	L	85.7	Confident	81.1	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.037	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-84.3	158.8	168.2	-51.1	170.7	0	0	0	109.1	S512 D513 M514 P617 V618 G619 H620 A662 T664	L510-S512 VanDerWaalsContact C-N 3.32Å; L510-S512 PolarHBondContact O-N 2.83Å; L510-D513 PolarHBondContact O-N 2.87Å; L510-M514 WeakPolarHBondContact O-CG 3.37Å; L510-M514 PolarHBondContact O-N 3.11Å; L510-P617 HydrophobicContact CD2-CG 4.45Å; L510-V618 WeakPolarHBondContact CD1-O 3.32Å; L510-G619 WeakPolarHBondContact CB-O 3.47Å; L510-H620 HydrophobicContact CD2-CB 4.03Å; L510-A662 HydrophobicContact CD2-CB 4.48Å; L510-T664 VanDerWaalsContact CD1-CB 3.47Å; L510-T664 HydrophobicContact CD1-CG2 3.36Å
511	H	90.6	Very high	81.1	Confident	28 Å²	28	60.2 Å²	60.2	13%	0.13	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-31.1	-173.6	-63.1	154.8	0	0	0	113.2	P497 D513 M514 I599 V603 G619 H620 C621	P497-H511 HydrophobicContact CG-CB 4Å; H511-D513 PolarHBondContact O-N 3.02Å; H511-M514 PolarHBondContact O-N 2.95Å; H511-I599 HydrophobicContact CB-CG2 3.99Å; H511-V603 WeakPolarHBondContact CE1-CG1 3.45Å; H511-G619 PolarHBondContact N-O 3.34Å; H511-H620 AromaticContact CD2-CE1 3.85Å; H511-H620 AromaticContact CD2-ND1 3.7Å; H511-H620 AromaticContact CE1-CE1 3.11Å; H511-H620 PolarHBondContact CE1-CE1 3.14Å; H511-H620 AromaticContact CE1-ND1 3.41Å; H511-H620 PolarHBondContact CE1-ND1 2.87Å; H511-H620 AromaticContact CE1-NE2 3.76Å; H511-H620 AromaticContact CG-ND1 3.71Å; H511-H620 AromaticContact ND1-CE1 3.75Å; H511-H620 AromaticContact ND1-ND1 3.56Å; H511-H620 AromaticContact NE2-CE1 3.16Å; H511-H620 PolarHBondContact NE2-CE1 3.41Å; H511-H620 AromaticContact NE2-ND1 3.49Å; H511-H620 PolarHBondContact NE2-ND1 3.46Å; H511-C621 VanDerWaalsContact ND1-CB 3.33Å; H511-C621 WeakPolarHBondContact ND1-CB 3.2Å; H511-C621 PolarHBondContact ND1-N 3.2Å; H511-C621 VanDerWaalsContact ND1-N 3.2Å
512	S	90.6	Very high	81.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-38.5	170.3	53.9	0	0	0	0	111.9	L510 M514 V515 N588 G619	L510-S512 VanDerWaalsContact C-N 3.32Å; L510-S512 PolarHBondContact O-N 2.83Å; S512-M514 VanDerWaalsContact C-N 3.31Å; S512-V515 PolarHBondContact O-N 3.41Å; S512-N588 PolarHBondContact O-ND2 2.95Å; S512-G619 PolarHBondContact N-O 3.36Å; S512-G619 WeakPolarHBondContact OG-CA 3.47Å; S512-G619 PolarHBondContact OG-O 3.18Å
513	D	86.2	Confident	81.8	Confident	42 Å²	42	54.6 Å²	54.6	23%	0.225	29%	0.288	C	S	.	.	H	α-helix	trans	-89.9	-3.2	-170.3	-48.3	-20.9	0	0	0	111.7	L510 H511 N588	L510-D513 PolarHBondContact O-N 2.87Å; H511-D513 PolarHBondContact O-N 3.02Å; D513-N588 WeakPolarHBondContact CA-ND2 3.48Å; D513-N588 PolarHBondContact N-ND2 3.07Å; D513-N588 PolarHBondContact OD1-ND2 3.37Å
514	M	88.9	Confident	82.6	Confident	51 Å²	51	50.6 Å²	50.6	25%	0.251	26%	0.258	S	S	.	.	H	α-helix	trans	-87.3	-21.5	166.6	-68.6	176.5	66.9	0	0	112.7	P497 W500 V502 L509 L510 H511 S512	P497-M514 HydrophobicContact CB-CB 3.89Å; P497-M514 HydrophobicContact CB-CE 4.02Å; P497-M514 HydrophobicContact CB-SD 4.17Å; P497-M514 WeakPolarHBondContact O-CE 3.41Å; W500-M514 WeakPolarHBondContact CB-O 3.24Å; V502-M514 HydrophobicContact CG2-CB 4.4Å; L509-M514 HydrophobicContact CB-CG 3.8Å; L509-M514 HydrophobicContact CB-SD 4.45Å; L509-M514 HydrophobicContact CD1-CG 3.97Å; L510-M514 WeakPolarHBondContact O-CG 3.37Å; L510-M514 PolarHBondContact O-N 3.11Å; H511-M514 PolarHBondContact O-N 2.95Å; S512-M514 VanDerWaalsContact C-N 3.31Å
515	V	92.3	Very high	83.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.243	C	C	.	.	S	Bend	trans	-100.4	127.6	179.5	177.5	0	0	0	0	109.2	W494 W495 P497 S512 G517 N590 I599	W494-V515 WeakPolarHBondContact O-CG1 3.38Å; W495-V515 HydrophobicContact CE3-CG1 4.01Å; W495-V515 HydrophobicContact CZ3-CG1 4.39Å; P497-V515 HydrophobicContact CB-CG2 4.47Å; P497-V515 HydrophobicContact CG-CG2 4.17Å; S512-V515 PolarHBondContact O-N 3.41Å; V515-G517 PolarHBondContact O-N 2.65Å; V515-N590 PolarHBondContact O-ND2 3.28Å; V515-I599 HydrophobicContact CB-CD1 4.4Å; V515-I599 HydrophobicContact CG2-CD1 4.34Å; V515-I599 HydrophobicContact CG2-CG1 4.22Å
516	P	92	Very high	83.6	Confident	14 Å²	14	50.1 Å²	50.1	9%	0.091	26%	0.257	C	S	.	.			trans	-57.5	132.7	-178.2	-25.3	33.6	0	0	0	112.9	W494 W500 D520 A522 V540 N590	W494-P516 HydrophobicContact CZ2-CB 4.21Å; W494-P516 HydrophobicContact CZ2-CG 4.48Å; W500-P516 HydrophobicContact CD2-CG 3.61Å; W500-P516 HydrophobicContact CE3-CG 3.57Å; W500-P516 HydrophobicContact CG-CG 4.3Å; W500-P516 HydrophobicContact CH2-CG 3.86Å; W500-P516 HydrophobicContact CZ2-CG 3.9Å; W500-P516 HydrophobicContact CZ3-CG 3.7Å; P516-D520 HydrophobicContact CB-CB 4.24Å; P516-A522 HydrophobicContact CB-CB 4.33Å; P516-A522 HydrophobicContact CG-CB 4.39Å; P516-V540 HydrophobicContact CB-CG1 4.12Å; P516-N590 VanDerWaalsContact C-ND2 3.32Å; P516-N590 PolarHBondContact O-ND2 3.41Å
517	G	89.7	Confident	83.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.			trans	-119.8	-171	173.5	0	0	0	0	0	112.7	V515 F519 D520 S539 V540	V515-G517 PolarHBondContact O-N 2.65Å; G517-F519 PolarHBondContact O-N 2.81Å; G517-D520 PolarHBondContact N-OD2 3.19Å; G517-D520 WeakPolarHBondContact O-CB 3.27Å; G517-D520 PolarHBondContact O-N 2.9Å; G517-S539 CarbonylContact C-O 3.25Å; G517-S539 WeakPolarHBondContact CA-O 3.47Å; G517-V540 WeakPolarHBondContact O-CA 3.42Å
518	K	89.8	Confident	83.6	Confident	76 Å²	76	47.6 Å²	47.6	33%	0.33	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-26.6	-169.9	174.6	162.8	-178.5	178.8	0	116.9	S539 V540 G541 T576 S578 E589	K518-S539 WeakPolarHBondContact CB-OG 3.42Å; K518-S539 PolarHBondContact N-O 2.83Å; K518-V540 CarbonylContact O-C 3.34Å; K518-G541 WeakPolarHBondContact O-CA 3.42Å; K518-G541 PolarHBondContact O-N 3.13Å; K518-T576 HydrophobicContact CD-CG2 4.22Å; K518-T576 HydrophobicContact CG-CG2 3.93Å; K518-T576 PolarHBondContact O-OG1 3.46Å; K518-S578 VanDerWaalsContact CE-OG 3.26Å; K518-S578 WeakPolarHBondContact CE-OG 3.36Å; K518-S578 WeakPolarHBondContact CG-OG 3.04Å; K518-S578 PolarHBondContact O-OG 3.21Å; K518-E589 HydrophobicContact CB-CG 4.13Å
519	F	87.2	Confident	83.6	Confident	64 Å²	64	49 Å²	49	28%	0.281	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-4.8	-177.3	-58	-77.1	0	0	0	113.1	G517 S578 C580 C586	G517-F519 PolarHBondContact O-N 2.81Å; F519-S578 WeakPolarHBondContact CD1-O 3.24Å; F519-C580 HydrophobicContact CB-CB 4.32Å; F519-C580 HydrophobicContact CD1-CB 4.26Å; F519-C580 HydrophobicContact CG-CB 4.4Å; F519-C586 HydrophobicContact CB-CB 4.42Å; F519-C586 HydrophobicContact CD1-CB 4.36Å; F519-C586 HydrophobicContact CD2-CB 3.44Å; F519-C586 VanDerWaalsContact CD2-CB 3.44Å; F519-C586 HydrophobicContact CE2-CB 3.68Å; F519-C586 HydrophobicContact CG-CB 3.81Å; F519-C586 HydrophobicContact CZ-CB 4.23Å
520	D	89.8	Confident	83.8	Confident	70 Å²	70	49 Å²	49	37%	0.374	27%	0.272	S	S	.	.			trans	-90.4	162	-170.7	-58.3	-47	0	0	0	113.1	P516 G517 G541 K542	P516-D520 HydrophobicContact CB-CB 4.24Å; G517-D520 PolarHBondContact N-OD2 3.19Å; G517-D520 WeakPolarHBondContact O-CB 3.27Å; G517-D520 PolarHBondContact O-N 2.9Å; D520-G541 VanDerWaalsContact O-CA 3.27Å; D520-G541 WeakPolarHBondContact O-CA 3.21Å; D520-G541 PolarHBondContact O-N 3.2Å; D520-K542 PolarHBondContact O-N 3.13Å
521	V	90.6	Very high	83.7	Confident	77 Å²	77	50 Å²	50	47%	0.467	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	103.4	175.2	-175.7	0	0	0	0	109	I523 K542 F544	V521-I523 HydrophobicContact CG1-CD1 4.22Å; V521-I523 HydrophobicContact CG1-CG1 3.91Å; V521-K542 WeakPolarHBondContact CA-O 3.32Å; V521-K542 HydrophobicContact CG1-CB 4.25Å; V521-K542 HydrophobicContact CG2-CB 4.25Å; V521-F544 HydrophobicContact CG1-CD2 3.65Å; V521-F544 HydrophobicContact CG1-CE2 3.67Å
522	A	92.2	Very high	83.6	Confident	1 Å²	1	49 Å²	49	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.6	173.7	0	0	0	0	0	109.9	W494 W500 P516 V540 K542 L543 F544	W494-A522 HydrophobicContact CH2-CB 4.05Å; W494-A522 HydrophobicContact CZ2-CB 4.45Å; W500-A522 HydrophobicContact CH2-CB 4.21Å; W500-A522 HydrophobicContact CZ3-CB 4.18Å; P516-A522 HydrophobicContact CB-CB 4.33Å; P516-A522 HydrophobicContact CG-CB 4.39Å; A522-V540 HydrophobicContact CB-CG1 4.12Å; A522-K542 PolarHBondContact N-O 2.79Å; A522-L543 HydrophobicContact CB-CD1 3.85Å; A522-L543 CarbonylContact O-C 3.59Å; A522-L543 WeakPolarHBondContact O-CA 3.35Å; A522-F544 PolarHBondContact O-N 3.2Å
523	I	90.3	Very high	83.6	Confident	99 Å²	99	51.5 Å²	51.5	51%	0.508	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117	-178.8	-52.9	179.2	0	0	0	109.5	V521 P525 F544	V521-I523 HydrophobicContact CG1-CD1 4.22Å; V521-I523 HydrophobicContact CG1-CG1 3.91Å; I523-P525 WeakPolarHBondContact O-CD 3.08Å; I523-F544 HydrophobicContact CB-CB 4.47Å; I523-F544 HydrophobicContact CG1-CB 4.27Å; I523-F544 HydrophobicContact CG1-CD2 4.41Å; I523-F544 HydrophobicContact CG2-CB 4.21Å
524	F	88.7	Confident	83.8	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.057	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	106.7	168.8	-69.8	-94.4	0	0	0	108.4	W494 W500 Y530 V532 L543 F544 F545 G546 F568	W494-F524 HydrophobicContact CE3-CZ 4.31Å; W494-F524 HydrophobicContact CH2-CE2 4.26Å; W494-F524 HydrophobicContact CH2-CZ 4.46Å; W494-F524 AromaticContact CZ3-CE2 3.85Å; W494-F524 HydrophobicContact CZ3-CE2 3.85Å; W494-F524 AromaticContact CZ3-CZ 3.7Å; W494-F524 HydrophobicContact CZ3-CZ 3.7Å; W500-F524 HydrophobicContact CH2-CE1 4.49Å; W500-F524 AromaticContact CH2-CE2 3.93Å; W500-F524 HydrophobicContact CH2-CE2 3.93Å; W500-F524 AromaticContact CH2-CZ 3.65Å; W500-F524 HydrophobicContact CH2-CZ 3.65Å; W500-F524 HydrophobicContact CZ2-CZ 4.43Å; W500-F524 HydrophobicContact CZ3-CE2 4.46Å; W500-F524 HydrophobicContact CZ3-CZ 4.35Å; F524-Y530 HydrophobicContact CB-CD1 4.45Å; F524-Y530 HydrophobicContact CB-CE1 3.77Å; F524-Y530 AromaticContact CD1-CD1 3.82Å; F524-Y530 HydrophobicContact CD1-CD1 3.82Å; F524-Y530 AromaticContact CD1-CD2 3.64Å; F524-Y530 HydrophobicContact CD1-CD2 3.64Å; F524-Y530 AromaticContact CD1-CE1 3.82Å; F524-Y530 HydrophobicContact CD1-CE1 3.82Å; F524-Y530 AromaticContact CD1-CE2 3.63Å; F524-Y530 HydrophobicContact CD1-CE2 3.63Å; F524-Y530 AromaticContact CD1-CG 3.73Å; F524-Y530 HydrophobicContact CD1-CG 3.73Å; F524-Y530 AromaticContact CD1-CZ 3.72Å; F524-Y530 AromaticContact CE1-CD2 3.91Å; F524-Y530 HydrophobicContact CE1-CD2 3.91Å; F524-Y530 HydrophobicContact CE1-CE2 4.16Å; F524-Y530 HydrophobicContact CE1-CG 4.2Å; F524-Y530 HydrophobicContact CG-CE1 4.23Å; F524-Y530 HydrophobicContact CG-CE2 4.24Å; F524-V532 HydrophobicContact CE1-CG2 3.98Å; F524-L543 HydrophobicContact CD2-CD1 3.79Å; F524-L543 HydrophobicContact CE2-CD1 3.67Å; F524-F544 PolarHBondContact N-O 2.79Å; F524-F545 HydrophobicContact CB-CD1 3.98Å; F524-F545 HydrophobicContact CB-CE1 4.49Å; F524-F545 AromaticContact CD2-CD1 3.95Å; F524-F545 HydrophobicContact CD2-CD1 3.95Å; F524-F545 AromaticContact CD2-CE1 3.78Å; F524-F545 HydrophobicContact CD2-CE1 3.78Å; F524-F545 HydrophobicContact CE2-CE1 4.33Å; F524-F545 HydrophobicContact CG-CD1 4.17Å; F524-F545 HydrophobicContact CG-CE1 4.2Å; F524-G546 PolarHBondContact O-N 3.05Å; F524-F568 HydrophobicContact CE1-CE1 4.32Å; F524-F568 HydrophobicContact CE1-CZ 4.31Å; F524-F568 HydrophobicContact CZ-CE1 4.11Å; F524-F568 HydrophobicContact CZ-CZ 4.26Å
525	P	77.2	Confident	83.6	Confident	66 Å²	66	48.4 Å²	48.4	43%	0.429	27%	0.272	S	S	.	.			trans	-68.6	147	-173.5	27.2	-33.4	0	0	0	111.3	I523 Q527 A528	I523-P525 WeakPolarHBondContact O-CD 3.08Å; P525-Q527 PolarHBondContact O-N 3.05Å; P525-Q527 VanDerWaalsContact O-N 3.08Å; P525-A528 HydrophobicContact CG-CB 3.92Å; P525-A528 PolarHBondContact O-N 2.77Å
526	P	65.5	Low	83.2	Confident	91 Å²	91	53 Å²	53	59%	0.591	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.9	-171.8	32	-29.9	0	0	0	113.2
527	Q	57.7	Low	83.1	Confident	161 Å²	161	54.4 Å²	54.4	75%	0.752	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-0.2	-177.4	-60.6	179.7	1	0	0	112.5	P525	P525-Q527 PolarHBondContact O-N 3.05Å; P525-Q527 VanDerWaalsContact O-N 3.08Å
528	A	65.5	Low	83.2	Confident	51 Å²	51	54.4 Å²	54.4	42%	0.421	31%	0.306	S	S	.	.			trans	-112.7	140.6	177.9	0	0	0	0	0	111.1	P525 Y530	P525-A528 HydrophobicContact CG-CB 3.92Å; P525-A528 PolarHBondContact O-N 2.77Å; A528-Y530 WeakPolarHBondContact O-CD1 3.26Å
529	A	69.3	Low	83.3	Confident	71 Å²	71	51.3 Å²	51.3	59%	0.587	29%	0.294	S	S	*	.			trans	-88.1	144.6	162.8	0	0	0	0	0	109.5	P445	P445-A529 HydrophobicContact CB-CB 4.31Å
530	Y	79.7	Confident	83.6	Confident	45 Å²	45	48.3 Å²	48.3	18%	0.176	28%	0.281	C	S	.	.			trans	-149	149.1	-177.6	48.8	-92.8	0	0	0	111.1	F524 A528 V532 Q567 F568	F524-Y530 HydrophobicContact CB-CD1 4.45Å; F524-Y530 HydrophobicContact CB-CE1 3.77Å; F524-Y530 AromaticContact CD1-CD1 3.82Å; F524-Y530 HydrophobicContact CD1-CD1 3.82Å; F524-Y530 AromaticContact CD1-CD2 3.64Å; F524-Y530 HydrophobicContact CD1-CD2 3.64Å; F524-Y530 AromaticContact CD1-CE1 3.82Å; F524-Y530 HydrophobicContact CD1-CE1 3.82Å; F524-Y530 AromaticContact CD1-CE2 3.63Å; F524-Y530 HydrophobicContact CD1-CE2 3.63Å; F524-Y530 AromaticContact CD1-CG 3.73Å; F524-Y530 HydrophobicContact CD1-CG 3.73Å; F524-Y530 AromaticContact CD1-CZ 3.72Å; F524-Y530 AromaticContact CE1-CD2 3.91Å; F524-Y530 HydrophobicContact CE1-CD2 3.91Å; F524-Y530 HydrophobicContact CE1-CE2 4.16Å; F524-Y530 HydrophobicContact CE1-CG 4.2Å; F524-Y530 HydrophobicContact CG-CE1 4.23Å; F524-Y530 HydrophobicContact CG-CE2 4.24Å; A528-Y530 WeakPolarHBondContact O-CD1 3.26Å; Y530-V532 HydrophobicContact CD2-CG2 4.37Å; Y530-Q567 HydrophobicContact CD2-CB 4.3Å; Y530-Q567 HydrophobicContact CE2-CB 4.08Å; Y530-Q567 HydrophobicContact CE2-CG 4.22Å; Y530-Q567 VanDerWaalsContact CE2-OE1 3.23Å; Y530-Q567 PolarHBondContact OH-OE1 3.42Å; Y530-F568 HydrophobicContact CD2-CZ 4.21Å; Y530-F568 AromaticContact CE2-CE2 3.83Å; Y530-F568 HydrophobicContact CE2-CE2 3.83Å; Y530-F568 AromaticContact CE2-CZ 3.66Å; Y530-F568 HydrophobicContact CE2-CZ 3.66Å
531	R	84	Confident	83.7	Confident	28 Å²	28	45 Å²	45	11%	0.106	26%	0.264	C	S	.	.			trans	-137.4	97.7	175.1	-67.8	-159.3	172.3	-179.7	0.9	109.6	T472 W474 W491 T492 L566 Q567	T472-R531 PolarHBondContact O-NH2 2.75Å; T472-R531 PolarHBondContact OG1-NH1 3.16Å; T472-R531 VanDerWaalsContact OG1-NH1 3.12Å; T472-R531 PolarHBondContact OG1-NH2 2.7Å; T472-R531 VanDerWaalsContact OG1-NH2 3.13Å; W474-R531 VanDerWaalsContact NE1-NH2 3.16Å; W491-R531 HydrophobicContact CD2-CB 4.41Å; W491-R531 VanDerWaalsContact CE3-C 3.48Å; W491-R531 HydrophobicContact CE3-CB 3.85Å; W491-R531 HydrophobicContact CH2-CB 4.48Å; W491-R531 HydrophobicContact CZ3-CB 3.89Å; T492-R531 PolarHBondContact N-O 3.03Å; T492-R531 PolarHBondContact OG1-O 3.41Å; T492-R531 VanDerWaalsContact OG1-O 3.05Å; R531-L566 WeakPolarHBondContact CG-O 3.3Å; R531-L566 PolarHBondContact NE-O 2.76Å; R531-Q567 CarbonylContact C-O 3.47Å; R531-Q567 WeakPolarHBondContact CA-O 3.33Å
532	V	88.7	Confident	83.8	Confident	8 Å²	8	44 Å²	44	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.4	-166	-172.4	0	0	0	0	112.6	T492 W494 F524 Y530 I534 Q567 F568 T569	T492-V532 CarbonylContact O-C 3.42Å; T492-V532 VanDerWaalsContact O-CA 3.24Å; T492-V532 WeakPolarHBondContact O-CA 3.38Å; W494-V532 HydrophobicContact CB-CG1 3.88Å; W494-V532 HydrophobicContact CE3-CG1 4.12Å; F524-V532 HydrophobicContact CE1-CG2 3.98Å; Y530-V532 HydrophobicContact CD2-CG2 4.37Å; V532-I534 HydrophobicContact CG1-CG2 4.24Å; V532-I534 PolarHBondContact O-N 3.07Å; V532-Q567 PolarHBondContact N-O 3Å; V532-F568 HydrophobicContact CB-CD1 4.04Å; V532-F568 HydrophobicContact CB-CE1 4.07Å; V532-F568 VanDerWaalsContact O-CA 3.27Å; V532-F568 WeakPolarHBondContact O-CA 3.29Å; V532-T569 PolarHBondContact O-N 2.77Å
533	N	90.1	Very high	83.9	Confident	52 Å²	52	44 Å²	44	28%	0.278	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.3	169.3	-176	-0.7	0	0	0	110	W491 T492 W494 S535 T569	W491-N533 HydrophobicContact CB-CB 4.26Å; T492-N533 PolarHBondContact O-N 2.88Å; W494-N533 VanDerWaalsContact CB-O 3.25Å; W494-N533 WeakPolarHBondContact CB-O 3.47Å; W494-N533 PolarHBondContact N-O 3.41Å; N533-S535 VanDerWaalsContact C-N 3.33Å; N533-S535 WeakPolarHBondContact OD1-CB 3.44Å; N533-S535 PolarHBondContact OD1-N 2.96Å; N533-S535 VanDerWaalsContact OD1-N 3.08Å; N533-T569 CarbonylContact C-O 3.56Å; N533-T569 WeakPolarHBondContact CA-OG1 3.06Å; N533-T569 PolarHBondContact OD1-O 2.93Å
534	I	90.7	Very high	83.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.			trans	-98.6	45.1	177.1	54.2	165.7	0	0	0	111	W494 V532 P538 L559 F568 T569 I573	W494-I534 HydrophobicContact CB-CG2 4.21Å; W494-I534 HydrophobicContact CD2-CG2 4.17Å; W494-I534 HydrophobicContact CE3-CG2 3.55Å; W494-I534 HydrophobicContact CG-CG2 4.45Å; W494-I534 HydrophobicContact CZ3-CG2 4.32Å; V532-I534 HydrophobicContact CG1-CG2 4.24Å; V532-I534 PolarHBondContact O-N 3.07Å; I534-P538 HydrophobicContact CB-CG 4.03Å; I534-P538 HydrophobicContact CG2-CG 4.09Å; I534-L559 HydrophobicContact CD1-CD1 4.01Å; I534-L559 HydrophobicContact CD1-CD2 3.88Å; I534-F568 HydrophobicContact CD1-CB 4.22Å; I534-F568 HydrophobicContact CD1-CD1 4.42Å; I534-F568 HydrophobicContact CG1-CB 4.43Å; I534-F568 HydrophobicContact CG2-CD1 3.9Å; I534-F568 HydrophobicContact CG2-CE1 4.4Å; I534-T569 WeakPolarHBondContact CG1-O 3.25Å; I534-T569 PolarHBondContact N-O 2.72Å; I534-I573 HydrophobicContact CB-CG1 4.4Å; I534-I573 HydrophobicContact CD1-CD1 4.08Å; I534-I573 HydrophobicContact CD1-CG1 3.64Å; I534-I573 HydrophobicContact CG2-CD1 4.11Å; I534-I573 HydrophobicContact CG2-CG1 4.17Å
535	S	84.1	Confident	83.9	Confident	28 Å²	28	42.4 Å²	42.4	20%	0.196	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	157.8	166.6	60.9	0	0	0	0	111	W495 N533 S537 E598	W495-S535 VanDerWaalsContact CD1-OG 3.27Å; W495-S535 WeakPolarHBondContact CZ2-O 3.12Å; W495-S535 PolarHBondContact NE1-O 3.21Å; W495-S535 PolarHBondContact NE1-OG 3.13Å; N533-S535 VanDerWaalsContact C-N 3.33Å; N533-S535 WeakPolarHBondContact OD1-CB 3.44Å; N533-S535 PolarHBondContact OD1-N 2.96Å; N533-S535 VanDerWaalsContact OD1-N 3.08Å; S535-S537 PolarHBondContact O-N 2.94Å; S535-E598 PolarHBondContact OG-OE1 3.04Å
536	L	85.4	Confident	84	Confident	99 Å²	99	40 Å²	40	52%	0.518	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	11.1	179.7	-52.8	178.1	0	0	0	116.5	W495 E598	W495-L536 HydrophobicContact CZ2-CB 3.82Å; L536-E598 HydrophobicContact CD1-CB 3.72Å; L536-E598 HydrophobicContact CD1-CG 3.92Å
537	S	88.9	Confident	84.6	Confident	42 Å²	42	40.8 Å²	40.8	29%	0.294	24%	0.244	S	C	.	.			trans	53.9	69.9	174.3	-64.4	0	0	0	0	113.9	S535 S572	S535-S537 PolarHBondContact O-N 2.94Å; S537-S572 WeakPolarHBondContact CA-O 3.1Å; S537-S572 WeakPolarHBondContact CB-OG 3.48Å; S537-S572 PolarHBondContact OG-OG 2.91Å
538	P	92.1	Very high	85.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.237	C	C	.	.			trans	-57.8	150.8	-174.4	24.3	-34.4	0	0	0	113.1	W494 W495 I534 I573 S574	W494-P538 HydrophobicContact CD2-CB 3.94Å; W494-P538 HydrophobicContact CD2-CG 3.71Å; W494-P538 HydrophobicContact CE3-CG 4.2Å; W494-P538 HydrophobicContact CG-CB 3.98Å; W494-P538 HydrophobicContact CG-CG 3.87Å; W494-P538 HydrophobicContact CZ2-CB 4.17Å; W494-P538 HydrophobicContact CZ2-CG 4.44Å; W494-P538 VanDerWaalsContact NE1-CB 3.35Å; W495-P538 HydrophobicContact CH2-CB 3.86Å; W495-P538 HydrophobicContact CZ2-CB 3.82Å; W495-P538 HydrophobicContact CZ2-CG 4.47Å; I534-P538 HydrophobicContact CB-CG 4.03Å; I534-P538 HydrophobicContact CG2-CG 4.09Å; P538-I573 HydrophobicContact CG-CG1 4.32Å; P538-S574 PolarHBondContact O-N 3.27Å
539	S	92.1	Very high	87.1	Confident	12 Å²	12	42.5 Å²	42.5	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.8	176.7	107.6	0	0	0	0	111.2	G517 K518 S574 E589	G517-S539 CarbonylContact C-O 3.25Å; G517-S539 WeakPolarHBondContact CA-O 3.47Å; K518-S539 WeakPolarHBondContact CB-OG 3.42Å; K518-S539 PolarHBondContact N-O 2.83Å; S539-S574 VanDerWaalsContact CA-O 3.25Å; S539-S574 WeakPolarHBondContact CA-O 3.41Å; S539-E589 WeakPolarHBondContact CB-OE1 3.5Å; S539-E589 VanDerWaalsContact OG-CD 3.31Å; S539-E589 PolarHBondContact OG-OE1 3.29Å
540	V	93.2	Very high	88.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.6	-176.3	-68.2	0	0	0	0	111.4	W494 P516 G517 K518 A522 L543 I573 S574 I575 T576	W494-V540 HydrophobicContact CH2-CG1 3.95Å; W494-V540 HydrophobicContact CZ2-CG1 3.5Å; W494-V540 VanDerWaalsContact CZ2-CG1 3.5Å; P516-V540 HydrophobicContact CB-CG1 4.12Å; G517-V540 WeakPolarHBondContact O-CA 3.42Å; K518-V540 CarbonylContact O-C 3.34Å; A522-V540 HydrophobicContact CB-CG1 4.12Å; V540-L543 HydrophobicContact CG2-CB 4.2Å; V540-I573 HydrophobicContact CG2-CG2 4.16Å; V540-S574 PolarHBondContact N-O 3.45Å; V540-I575 HydrophobicContact CG2-CG1 4.07Å; V540-T576 PolarHBondContact O-N 3.03Å; V540-T576 PolarHBondContact O-OG1 3.37Å
541	G	91.8	Very high	88.8	Confident	2 Å²	2	39.9 Å²	39.9	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-72.7	-55.9	174	0	0	0	0	0	110.9	K518 D520 H577	K518-G541 WeakPolarHBondContact O-CA 3.42Å; K518-G541 PolarHBondContact O-N 3.13Å; D520-G541 VanDerWaalsContact O-CA 3.27Å; D520-G541 WeakPolarHBondContact O-CA 3.21Å; D520-G541 PolarHBondContact O-N 3.2Å; G541-H577 VanDerWaalsContact O-CA 3.31Å; G541-H577 WeakPolarHBondContact O-CA 3.41Å; G541-H577 PolarHBondContact O-N 3.36Å; G541-H577 VanDerWaalsContact O-N 3.11Å
542	K	93.1	Very high	89.2	Confident	55 Å²	55	39.9 Å²	39.9	24%	0.239	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.4	175.2	-56.8	179.7	-174.4	175.6	0	110.4	D520 V521 A522 F544 E579	D520-K542 PolarHBondContact O-N 3.13Å; V521-K542 WeakPolarHBondContact CA-O 3.32Å; V521-K542 HydrophobicContact CG1-CB 4.25Å; V521-K542 HydrophobicContact CG2-CB 4.25Å; A522-K542 PolarHBondContact N-O 2.79Å; K542-F544 HydrophobicContact CB-CD2 4.48Å; K542-F544 HydrophobicContact CB-CE2 3.88Å; K542-F544 HydrophobicContact CD-CE2 4.47Å; K542-E579 WeakPolarHBondContact CE-OE1 3.36Å; K542-E579 IonicContact NZ-OE1 2.78Å; K542-E579 PolarHBondContact NZ-OE1 3.07Å
543	L	93.7	Very high	89.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128	179.2	179	64.3	0	0	0	109.9	A522 F524 V540 F545 E549 Q550 I555 I573 I575	A522-L543 HydrophobicContact CB-CD1 3.85Å; A522-L543 CarbonylContact O-C 3.59Å; A522-L543 WeakPolarHBondContact O-CA 3.35Å; F524-L543 HydrophobicContact CD2-CD1 3.79Å; F524-L543 HydrophobicContact CE2-CD1 3.67Å; V540-L543 HydrophobicContact CG2-CB 4.2Å; L543-F545 HydrophobicContact CD1-CE1 4.1Å; L543-F545 HydrophobicContact CD2-CE1 4.04Å; L543-F545 HydrophobicContact CD2-CZ 4.12Å; L543-F545 HydrophobicContact CG-CD1 4.5Å; L543-F545 HydrophobicContact CG-CE1 4.11Å; L543-E549 CarbonylContact O-C 3.56Å; L543-E549 WeakPolarHBondContact O-CA 3.5Å; L543-Q550 HydrophobicContact CB-CB 4.27Å; L543-Q550 HydrophobicContact CD2-CB 4.24Å; L543-Q550 HydrophobicContact CD2-CG 4.21Å; L543-Q550 HydrophobicContact CG-CB 4.33Å; L543-Q550 HydrophobicContact CG-CG 4.18Å; L543-Q550 PolarHBondContact O-N 2.92Å; L543-I555 HydrophobicContact CD2-CD1 3.83Å; L543-I555 HydrophobicContact CD2-CG1 4.02Å; L543-I573 HydrophobicContact CD2-CD1 4.29Å; L543-I573 HydrophobicContact CD2-CG2 4.5Å; L543-I575 HydrophobicContact CB-CD1 3.78Å; L543-I575 HydrophobicContact CB-CG1 4.24Å; L543-I575 HydrophobicContact CD2-CD1 4.07Å
544	F	91.5	Very high	89.4	Confident	47 Å²	47	43.1 Å²	43.1	21%	0.206	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.6	178.2	-71.8	-98.1	0	0	0	111.2	V521 A522 I523 F524 K542 R548 E549	V521-F544 HydrophobicContact CG1-CD2 3.65Å; V521-F544 HydrophobicContact CG1-CE2 3.67Å; A522-F544 PolarHBondContact O-N 3.2Å; I523-F544 HydrophobicContact CB-CB 4.47Å; I523-F544 HydrophobicContact CG1-CB 4.27Å; I523-F544 HydrophobicContact CG1-CD2 4.41Å; I523-F544 HydrophobicContact CG2-CB 4.21Å; F524-F544 PolarHBondContact N-O 2.79Å; K542-F544 HydrophobicContact CB-CD2 4.48Å; K542-F544 HydrophobicContact CB-CE2 3.88Å; K542-F544 HydrophobicContact CD-CE2 4.47Å; F544-R548 WeakPolarHBondContact CA-O 3.45Å; F544-E549 HydrophobicContact CD1-CB 4Å; F544-E549 HydrophobicContact CE1-CB 3.54Å; F544-E549 HydrophobicContact CE1-CG 4.04Å; F544-E549 HydrophobicContact CE2-CG 4.12Å; F544-E549 HydrophobicContact CZ-CB 3.81Å; F544-E549 HydrophobicContact CZ-CG 3.76Å
545	F	87.7	Confident	89.4	Confident	32 Å²	32	43.1 Å²	43.1	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	105.9	165.5	-65	-19.2	0	0	0	107.7	F524 L543 A547 R548 Q550 I555 Y558 F568	F524-F545 HydrophobicContact CB-CD1 3.98Å; F524-F545 HydrophobicContact CB-CE1 4.49Å; F524-F545 AromaticContact CD2-CD1 3.95Å; F524-F545 HydrophobicContact CD2-CD1 3.95Å; F524-F545 AromaticContact CD2-CE1 3.78Å; F524-F545 HydrophobicContact CD2-CE1 3.78Å; F524-F545 HydrophobicContact CE2-CE1 4.33Å; F524-F545 HydrophobicContact CG-CD1 4.17Å; F524-F545 HydrophobicContact CG-CE1 4.2Å; L543-F545 HydrophobicContact CD1-CE1 4.1Å; L543-F545 HydrophobicContact CD2-CE1 4.04Å; L543-F545 HydrophobicContact CD2-CZ 4.12Å; L543-F545 HydrophobicContact CG-CD1 4.5Å; L543-F545 HydrophobicContact CG-CE1 4.11Å; F545-A547 PolarHBondContact O-N 2.9Å; F545-R548 PolarHBondContact N-O 3.27Å; F545-R548 WeakPolarHBondContact O-CB 2.95Å; F545-R548 PolarHBondContact O-N 2.86Å; F545-Q550 HydrophobicContact CD2-CG 3.89Å; F545-Q550 HydrophobicContact CE2-CG 4.13Å; F545-Q550 HydrophobicContact CG-CG 4.15Å; F545-I555 HydrophobicContact CE2-CD1 3.71Å; F545-I555 HydrophobicContact CZ-CD1 3.51Å; F545-Y558 AromaticContact CE2-CD1 3.72Å; F545-Y558 HydrophobicContact CE2-CD1 3.72Å; F545-Y558 AromaticContact CE2-CE1 3.98Å; F545-Y558 HydrophobicContact CE2-CE1 3.98Å; F545-Y558 HydrophobicContact CE2-CG 4.22Å; F545-Y558 HydrophobicContact CZ-CD1 4.32Å; F545-Y558 HydrophobicContact CZ-CE1 4.47Å; F545-F568 HydrophobicContact CE1-CE2 4.22Å; F545-F568 AromaticContact CE1-CZ 3.9Å; F545-F568 HydrophobicContact CE1-CZ 3.9Å; F545-F568 AromaticContact CZ-CE2 3.73Å; F545-F568 HydrophobicContact CZ-CE2 3.73Å; F545-F568 AromaticContact CZ-CZ 3.82Å; F545-F568 HydrophobicContact CZ-CZ 3.82Å
546	G	79.1	Confident	89.7	Confident	17 Å²	17	47.3 Å²	47.3	18%	0.175	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-126	-165.9	0	0	0	0	0	111.6	F524 R548	F524-G546 PolarHBondContact O-N 3.05Å; G546-R548 VanDerWaalsContact C-N 3.33Å
547	A	77.8	Confident	90	Very high	106 Å²	106	49 Å²	49	88%	0.876	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	3	174.9	0	0	0	0	0	113.9	F545	F545-A547 PolarHBondContact O-N 2.9Å
548	R	84.9	Confident	90	Very high	163 Å²	163	49.7 Å²	49.7	62%	0.615	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.8	-172.3	-175.2	-179.3	172.7	-179.2	-1	112	F544 F545 G546 Q550	F544-R548 WeakPolarHBondContact CA-O 3.45Å; F545-R548 PolarHBondContact N-O 3.27Å; F545-R548 WeakPolarHBondContact O-CB 2.95Å; F545-R548 PolarHBondContact O-N 2.86Å; G546-R548 VanDerWaalsContact C-N 3.33Å; R548-Q550 PolarHBondContact O-NE2 2.81Å
549	E	92.1	Very high	89.9	Confident	85 Å²	85	51.3 Å²	51.3	40%	0.397	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	140.2	168.1	-163.6	169.7	173.7	0	0	110.8	L543 F544	L543-E549 CarbonylContact O-C 3.56Å; L543-E549 WeakPolarHBondContact O-CA 3.5Å; F544-E549 HydrophobicContact CD1-CB 4Å; F544-E549 HydrophobicContact CE1-CB 3.54Å; F544-E549 HydrophobicContact CE1-CG 4.04Å; F544-E549 HydrophobicContact CE2-CG 4.12Å; F544-E549 HydrophobicContact CZ-CB 3.81Å; F544-E549 HydrophobicContact CZ-CG 3.76Å
550	Q	91.3	Very high	89.6	Confident	8 Å²	8	61 Å²	61	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.3	176.2	-55.3	-55.2	-47.8	0	0	110.5	L543 F545 R548 T554 I575	L543-Q550 HydrophobicContact CB-CB 4.27Å; L543-Q550 HydrophobicContact CD2-CB 4.24Å; L543-Q550 HydrophobicContact CD2-CG 4.21Å; L543-Q550 HydrophobicContact CG-CB 4.33Å; L543-Q550 HydrophobicContact CG-CG 4.18Å; L543-Q550 PolarHBondContact O-N 2.92Å; F545-Q550 HydrophobicContact CD2-CG 3.89Å; F545-Q550 HydrophobicContact CE2-CG 4.13Å; F545-Q550 HydrophobicContact CG-CG 4.15Å; R548-Q550 PolarHBondContact O-NE2 2.81Å; Q550-T554 WeakPolarHBondContact CA-OG1 3.01Å; Q550-T554 PolarHBondContact OE1-OG1 3.04Å; Q550-I575 HydrophobicContact CB-CD1 3.79Å; Q550-I575 WeakPolarHBondContact O-CD1 3.41Å
551	T	92.5	Very high	89.3	Confident	54 Å²	54	62.5 Å²	62.5	33%	0.331	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-99.8	166.6	163.4	84.2	0	0	0	0	109.5	E553 T554 I555	T551-E553 PolarHBondContact O-N 2.69Å; T551-E553 VanDerWaalsContact O-N 3.12Å; T551-E553 PolarHBondContact OG1-N 2.95Å; T551-E553 VanDerWaalsContact OG1-N 3.16Å; T551-E553 PolarHBondContact OG1-OE2 2.96Å; T551-T554 PolarHBondContact N-OG1 2.87Å; T551-T554 PolarHBondContact O-N 2.77Å; T551-T554 VanDerWaalsContact O-N 3.13Å; T551-T554 PolarHBondContact O-OG1 2.75Å; T551-T554 PolarHBondContact OG1-N 3.37Å; T551-I555 WeakPolarHBondContact O-CG2 3.42Å; T551-I555 PolarHBondContact O-N 3.17Å
552	N	92.4	Very high	88.7	Confident	28 Å²	28	66.4 Å²	66.4	15%	0.15	34%	0.335	C	S	.	.	H	α-helix	trans	-51.8	-33.1	172.2	-76.1	-66.2	0	0	0	113.4	R556 I575	N552-R556 VanDerWaalsContact O-CB 3.26Å; N552-R556 WeakPolarHBondContact O-CB 3.29Å; N552-R556 WeakPolarHBondContact O-CD 3.39Å; N552-R556 WeakPolarHBondContact O-CG 3.04Å; N552-R556 PolarHBondContact O-N 3.39Å; N552-R556 VanDerWaalsContact O-N 3.13Å; N552-R556 PolarHBondContact O-NH1 3.45Å; N552-I575 PolarHBondContact ND2-O 3.3Å; N552-I575 PolarHBondContact OD1-N 3.1Å; N552-I575 PolarHBondContact OD1-O 3.18Å
553	E	91.4	Very high	87.8	Confident	97 Å²	97	69.3 Å²	69.3	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-75.9	-44.2	-179.3	-64.8	57.2	-120.5	0	0	109.9	T551 R556 Q557	T551-E553 PolarHBondContact O-N 2.69Å; T551-E553 VanDerWaalsContact O-N 3.12Å; T551-E553 PolarHBondContact OG1-N 2.95Å; T551-E553 VanDerWaalsContact OG1-N 3.16Å; T551-E553 PolarHBondContact OG1-OE2 2.96Å; E553-R556 IonicContact OE1-CZ 2.75Å; E553-R556 IonicContact OE1-NH1 3.3Å; E553-R556 PolarHBondContact OE1-NH1 3.19Å; E553-Q557 WeakPolarHBondContact O-CB 3.12Å; E553-Q557 VanDerWaalsContact O-CG 3.22Å; E553-Q557 WeakPolarHBondContact O-CG 3.48Å; E553-Q557 PolarHBondContact O-N 2.04Å
554	T	92	Very high	87.3	Confident	31 Å²	31	69.7 Å²	69.7	19%	0.19	35%	0.352	C	S	.	.	H	α-helix	trans	-68.7	-39	178.8	68.9	0	0	0	0	111.9	Q550 T551 Q557 Y558	Q550-T554 WeakPolarHBondContact CA-OG1 3.01Å; Q550-T554 PolarHBondContact OE1-OG1 3.04Å; T551-T554 PolarHBondContact N-OG1 2.87Å; T551-T554 PolarHBondContact O-N 2.77Å; T551-T554 VanDerWaalsContact O-N 3.13Å; T551-T554 PolarHBondContact O-OG1 2.75Å; T551-T554 PolarHBondContact OG1-N 3.37Å; T554-Q557 PolarHBondContact O-N 2.76Å; T554-Y558 WeakPolarHBondContact O-CB 3.49Å; T554-Y558 PolarHBondContact O-N 3.39Å
555	I	90.8	Very high	86.8	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-70.8	-37.8	177.2	-165.3	59.3	0	0	0	112	L543 F545 T551 Q557 Y558 L559 I573 I575	L543-I555 HydrophobicContact CD2-CD1 3.83Å; L543-I555 HydrophobicContact CD2-CG1 4.02Å; F545-I555 HydrophobicContact CE2-CD1 3.71Å; F545-I555 HydrophobicContact CZ-CD1 3.51Å; T551-I555 WeakPolarHBondContact O-CG2 3.42Å; T551-I555 PolarHBondContact O-N 3.17Å; I555-Q557 VanDerWaalsContact C-N 3.31Å; I555-Q557 PolarHBondContact O-N 2.79Å; I555-Y558 HydrophobicContact CD1-CD1 4.28Å; I555-Y558 PolarHBondContact O-N 3.13Å; I555-L559 HydrophobicContact CD1-CG 4.28Å; I555-L559 HydrophobicContact CG1-CD1 4.05Å; I555-L559 HydrophobicContact CG1-CG 4.25Å; I555-L559 WeakPolarHBondContact O-CB 3.46Å; I555-L559 VanDerWaalsContact O-CG 3.3Å; I555-L559 WeakPolarHBondContact O-CG 3.26Å; I555-L559 PolarHBondContact O-N 3.31Å; I555-I573 HydrophobicContact CD1-CD1 4.36Å; I555-I573 HydrophobicContact CG1-CB 4.29Å; I555-I573 HydrophobicContact CG1-CD1 4.3Å; I555-I575 HydrophobicContact CB-CD1 4.28Å; I555-I575 HydrophobicContact CG2-CD1 3.94Å; I555-I575 HydrophobicContact CG2-CG1 4.41Å
556	R	91.1	Very high	86.2	Confident	115 Å²	115	70.9 Å²	70.9	43%	0.434	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-29.8	172.8	-73.3	177.4	-152.3	123.4	-5.4	113	N552 E553 R560	N552-R556 VanDerWaalsContact O-CB 3.26Å; N552-R556 WeakPolarHBondContact O-CB 3.29Å; N552-R556 WeakPolarHBondContact O-CD 3.39Å; N552-R556 WeakPolarHBondContact O-CG 3.04Å; N552-R556 PolarHBondContact O-N 3.39Å; N552-R556 VanDerWaalsContact O-N 3.13Å; N552-R556 PolarHBondContact O-NH1 3.45Å; E553-R556 IonicContact OE1-CZ 2.75Å; E553-R556 IonicContact OE1-NH1 3.3Å; E553-R556 PolarHBondContact OE1-NH1 3.19Å; R556-R560 VanDerWaalsContact O-CD 3.29Å; R556-R560 WeakPolarHBondContact O-CD 3.25Å; R556-R560 VanDerWaalsContact O-CG 3.25Å; R556-R560 WeakPolarHBondContact O-CG 3.43Å
557	Q	90	Very high	86.5	Confident	134 Å²	134	72.6 Å²	72.6	63%	0.626	37%	0.374	S	S	*	.	H	α-helix	trans	-71.7	-44.1	170.7	-75.2	169.8	2.3	0	0	110.6	E553 T554 I555 R560 A561	E553-Q557 WeakPolarHBondContact O-CB 3.12Å; E553-Q557 VanDerWaalsContact O-CG 3.22Å; E553-Q557 WeakPolarHBondContact O-CG 3.48Å; E553-Q557 PolarHBondContact O-N 2.04Å; T554-Q557 PolarHBondContact O-N 2.76Å; I555-Q557 VanDerWaalsContact C-N 3.31Å; I555-Q557 PolarHBondContact O-N 2.79Å; Q557-R560 PolarHBondContact O-N 3.44Å; Q557-A561 PolarHBondContact O-N 2.84Å
558	Y	89	Confident	86.9	Confident	57 Å²	57	68 Å²	68	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-50.9	179	-173.3	-105.1	0	0	0	112	F545 T554 I555 R560 A561 S564 Q567 F568	F545-Y558 AromaticContact CE2-CD1 3.72Å; F545-Y558 HydrophobicContact CE2-CD1 3.72Å; F545-Y558 AromaticContact CE2-CE1 3.98Å; F545-Y558 HydrophobicContact CE2-CE1 3.98Å; F545-Y558 HydrophobicContact CE2-CG 4.22Å; F545-Y558 HydrophobicContact CZ-CD1 4.32Å; F545-Y558 HydrophobicContact CZ-CE1 4.47Å; T554-Y558 WeakPolarHBondContact O-CB 3.49Å; T554-Y558 PolarHBondContact O-N 3.39Å; I555-Y558 HydrophobicContact CD1-CD1 4.28Å; I555-Y558 PolarHBondContact O-N 3.13Å; Y558-R560 PolarHBondContact O-N 3.1Å; Y558-A561 VanDerWaalsContact O-CB 3.26Å; Y558-A561 WeakPolarHBondContact O-CB 3.12Å; Y558-A561 PolarHBondContact O-N 3.19Å; Y558-S564 WeakPolarHBondContact O-CB 3.49Å; Y558-S564 PolarHBondContact O-OG 3.11Å; Y558-Q567 VanDerWaalsContact OH-CD 3.28Å; Y558-Q567 PolarHBondContact OH-OE1 2.81Å; Y558-F568 HydrophobicContact CE1-CD2 4.01Å; Y558-F568 AromaticContact CE1-CE2 3.97Å; Y558-F568 HydrophobicContact CE1-CE2 3.97Å
559	L	90	Very high	86.9	Confident	35 Å²	35	62.3 Å²	62.3	18%	0.183	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-2.5	177.5	-67.4	174.2	0	0	0	114.8	I534 I555 S564 F568 I573	I534-L559 HydrophobicContact CD1-CD1 4.01Å; I534-L559 HydrophobicContact CD1-CD2 3.88Å; I555-L559 HydrophobicContact CD1-CG 4.28Å; I555-L559 HydrophobicContact CG1-CD1 4.05Å; I555-L559 HydrophobicContact CG1-CG 4.25Å; I555-L559 WeakPolarHBondContact O-CB 3.46Å; I555-L559 VanDerWaalsContact O-CG 3.3Å; I555-L559 WeakPolarHBondContact O-CG 3.26Å; I555-L559 PolarHBondContact O-N 3.31Å; L559-S564 VanDerWaalsContact CA-OG 3.32Å; L559-S564 WeakPolarHBondContact CA-OG 3.48Å; L559-F568 HydrophobicContact CD2-CB 3.76Å; L559-F568 HydrophobicContact CD2-CD2 4.13Å; L559-F568 HydrophobicContact CD2-CG 4.03Å; L559-I573 HydrophobicContact CD1-CG1 4.32Å
560	R	87.3	Confident	86.4	Confident	215 Å²	215	60.7 Å²	60.7	81%	0.811	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-10.9	171.4	-69.6	172.7	-175.9	-175.3	0.8	112.9	R556 Q557 Y558	R556-R560 VanDerWaalsContact O-CD 3.29Å; R556-R560 WeakPolarHBondContact O-CD 3.25Å; R556-R560 VanDerWaalsContact O-CG 3.25Å; R556-R560 WeakPolarHBondContact O-CG 3.43Å; Q557-R560 PolarHBondContact O-N 3.44Å; Y558-R560 PolarHBondContact O-N 3.1Å
561	A	85.1	Confident	85.6	Confident	32 Å²	32	66.2 Å²	66.2	26%	0.264	36%	0.358	S	S	.	.	S	Bend	trans	-79.5	145.2	177.4	0	0	0	0	0	109.4	Q557 Y558 E563 S564	Q557-A561 PolarHBondContact O-N 2.84Å; Y558-A561 VanDerWaalsContact O-CB 3.26Å; Y558-A561 WeakPolarHBondContact O-CB 3.12Å; Y558-A561 PolarHBondContact O-N 3.19Å; A561-E563 VanDerWaalsContact CB-OE2 3.24Å; A561-E563 WeakPolarHBondContact CB-OE2 3.41Å; A561-E563 PolarHBondContact O-N 2.7Å; A561-S564 PolarHBondContact O-N 3.16Å; A561-S564 VanDerWaalsContact O-N 3.07Å; A561-S564 PolarHBondContact O-OG 3.49Å
562	A	79.9	Confident	85.5	Confident	83 Å²	83	65.2 Å²	65.2	69%	0.686	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-60.7	-33.5	-175.5	0	0	0	0	0	111.5	S564 A565	A562-S564 PolarHBondContact O-N 3.32Å; A562-A565 WeakPolarHBondContact O-CB 3.49Å; A562-A565 PolarHBondContact O-N 3.08Å
563	E	75.1	Confident	85.5	Confident	117 Å²	117	64.1 Å²	64.1	55%	0.547	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-62.1	-29.1	178.6	-54.7	89.9	153	0	0	112.8	A561 A565 L566	A561-E563 VanDerWaalsContact CB-OE2 3.24Å; A561-E563 WeakPolarHBondContact CB-OE2 3.41Å; A561-E563 PolarHBondContact O-N 2.7Å; E563-A565 VanDerWaalsContact C-N 3.35Å; E563-L566 VanDerWaalsContact O-CB 3.32Å; E563-L566 WeakPolarHBondContact O-CB 3.14Å; E563-L566 WeakPolarHBondContact O-CG 3.38Å; E563-L566 PolarHBondContact O-N 3.41Å
564	S	82.3	Confident	85.5	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.049	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-71.8	-28	178.5	72.6	0	0	0	0	113	Y558 L559 A561 A562 L566 Q567 F568	Y558-S564 WeakPolarHBondContact O-CB 3.49Å; Y558-S564 PolarHBondContact O-OG 3.11Å; L559-S564 VanDerWaalsContact CA-OG 3.32Å; L559-S564 WeakPolarHBondContact CA-OG 3.48Å; A561-S564 PolarHBondContact O-N 3.16Å; A561-S564 VanDerWaalsContact O-N 3.07Å; A561-S564 PolarHBondContact O-OG 3.49Å; A562-S564 PolarHBondContact O-N 3.32Å; S564-L566 PolarHBondContact O-N 2.93Å; S564-L566 VanDerWaalsContact O-N 3.11Å; S564-Q567 CarbonylContact O-C 3.51Å; S564-Q567 PolarHBondContact O-N 3.39Å; S564-F568 PolarHBondContact O-N 2.86Å
565	A	80.3	Confident	85.6	Confident	61 Å²	61	60.6 Å²	60.6	50%	0.504	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-65.3	-14.2	174.8	0	0	0	0	0	112.5	W491 A562 E563	W491-A565 WeakPolarHBondContact CH2-O 3.48Å; A562-A565 WeakPolarHBondContact O-CB 3.49Å; A562-A565 PolarHBondContact O-N 3.08Å; E563-A565 VanDerWaalsContact C-N 3.35Å
566	L	76.9	Confident	85.5	Confident	44 Å²	44	63 Å²	63	23%	0.23	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-83.8	-17.9	172.7	-47.4	-178.3	0	0	0	113	W474 R531 E563 S564	W474-L566 HydrophobicContact CB-CD2 3.65Å; W474-L566 HydrophobicContact CG-CD2 4.01Å; R531-L566 WeakPolarHBondContact CG-O 3.3Å; R531-L566 PolarHBondContact NE-O 2.76Å; E563-L566 VanDerWaalsContact O-CB 3.32Å; E563-L566 WeakPolarHBondContact O-CB 3.14Å; E563-L566 WeakPolarHBondContact O-CG 3.38Å; E563-L566 PolarHBondContact O-N 3.41Å; S564-L566 PolarHBondContact O-N 2.93Å; S564-L566 VanDerWaalsContact O-N 3.11Å
567	Q	84.2	Confident	85.1	Confident	53 Å²	53	61.7 Å²	61.7	25%	0.248	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-28	-173	-68.3	-167.2	-7.3	0	0	114.2	Y530 R531 V532 Y558 S564	Y530-Q567 HydrophobicContact CD2-CB 4.3Å; Y530-Q567 HydrophobicContact CE2-CB 4.08Å; Y530-Q567 HydrophobicContact CE2-CG 4.22Å; Y530-Q567 VanDerWaalsContact CE2-OE1 3.23Å; Y530-Q567 PolarHBondContact OH-OE1 3.42Å; R531-Q567 CarbonylContact C-O 3.47Å; R531-Q567 WeakPolarHBondContact CA-O 3.33Å; V532-Q567 PolarHBondContact N-O 3Å; Y558-Q567 VanDerWaalsContact OH-CD 3.28Å; Y558-Q567 PolarHBondContact OH-OE1 2.81Å; S564-Q567 CarbonylContact O-C 3.51Å; S564-Q567 PolarHBondContact O-N 3.39Å
568	F	87.3	Confident	84.6	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.035	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.3	-174.9	-64.5	-77.7	0	0	0	112.2	F524 Y530 V532 I534 F545 Y558 L559 S564 I573	F524-F568 HydrophobicContact CE1-CE1 4.32Å; F524-F568 HydrophobicContact CE1-CZ 4.31Å; F524-F568 HydrophobicContact CZ-CE1 4.11Å; F524-F568 HydrophobicContact CZ-CZ 4.26Å; Y530-F568 HydrophobicContact CD2-CZ 4.21Å; Y530-F568 AromaticContact CE2-CE2 3.83Å; Y530-F568 HydrophobicContact CE2-CE2 3.83Å; Y530-F568 AromaticContact CE2-CZ 3.66Å; Y530-F568 HydrophobicContact CE2-CZ 3.66Å; V532-F568 HydrophobicContact CB-CD1 4.04Å; V532-F568 HydrophobicContact CB-CE1 4.07Å; V532-F568 VanDerWaalsContact O-CA 3.27Å; V532-F568 WeakPolarHBondContact O-CA 3.29Å; I534-F568 HydrophobicContact CD1-CB 4.22Å; I534-F568 HydrophobicContact CD1-CD1 4.42Å; I534-F568 HydrophobicContact CG1-CB 4.43Å; I534-F568 HydrophobicContact CG2-CD1 3.9Å; I534-F568 HydrophobicContact CG2-CE1 4.4Å; F545-F568 HydrophobicContact CE1-CE2 4.22Å; F545-F568 AromaticContact CE1-CZ 3.9Å; F545-F568 HydrophobicContact CE1-CZ 3.9Å; F545-F568 AromaticContact CZ-CE2 3.73Å; F545-F568 HydrophobicContact CZ-CE2 3.73Å; F545-F568 AromaticContact CZ-CZ 3.82Å; F545-F568 HydrophobicContact CZ-CZ 3.82Å; Y558-F568 HydrophobicContact CE1-CD2 4.01Å; Y558-F568 AromaticContact CE1-CE2 3.97Å; Y558-F568 HydrophobicContact CE1-CE2 3.97Å; L559-F568 HydrophobicContact CD2-CB 3.76Å; L559-F568 HydrophobicContact CD2-CD2 4.13Å; L559-F568 HydrophobicContact CD2-CG 4.03Å; S564-F568 PolarHBondContact O-N 2.86Å; F568-I573 HydrophobicContact CE1-CD1 4.38Å
569	T	84.7	Confident	83.9	Confident	45 Å²	45	60 Å²	60	28%	0.276	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.6	165	36.2	0	0	0	0	110.2	W491 V532 N533 I534	W491-T569 HydrophobicContact CD2-CG2 3.86Å; W491-T569 HydrophobicContact CE3-CG2 4Å; W491-T569 HydrophobicContact CH2-CG2 3.65Å; W491-T569 HydrophobicContact CZ2-CG2 3.45Å; W491-T569 VanDerWaalsContact CZ2-CG2 3.45Å; W491-T569 HydrophobicContact CZ3-CG2 3.91Å; V532-T569 PolarHBondContact O-N 2.77Å; N533-T569 CarbonylContact C-O 3.56Å; N533-T569 WeakPolarHBondContact CA-OG1 3.06Å; N533-T569 PolarHBondContact OD1-O 2.93Å; I534-T569 WeakPolarHBondContact CG1-O 3.25Å; I534-T569 PolarHBondContact N-O 2.72Å
570	G	81.4	Confident	83.3	Confident	50 Å²	50	60.8 Å²	60.8	52%	0.515	35%	0.353	S	S	.	.	S	Bend	trans	132	-178.8	-179.5	0	0	0	0	0	112.1
571	T	75.1	Confident	82.4	Confident	124 Å²	124	56.9 Å²	56.9	76%	0.761	35%	0.353	S	S	*	.	S	Bend	trans	-103.1	-26.3	-161.9	52.4	0	0	0	0	115.2
572	S	89.4	Confident	81.5	Confident	34 Å²	34	57.3 Å²	57.3	24%	0.238	35%	0.351	C	S	.	.			trans	-166	154.8	-178.7	57.1	0	0	0	0	113.5	S537	S537-S572 WeakPolarHBondContact CA-O 3.1Å; S537-S572 WeakPolarHBondContact CB-OG 3.48Å; S537-S572 PolarHBondContact OG-OG 2.91Å
573	I	92.2	Very high	80.5	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	36%	0.358	C	S	.	.			trans	-120.1	134.4	160.5	-54.6	175.7	0	0	0	106.4	W494 I534 P538 V540 L543 I555 L559 F568	W494-I573 HydrophobicContact CZ3-CD1 4.1Å; I534-I573 HydrophobicContact CB-CG1 4.4Å; I534-I573 HydrophobicContact CD1-CD1 4.08Å; I534-I573 HydrophobicContact CD1-CG1 3.64Å; I534-I573 HydrophobicContact CG2-CD1 4.11Å; I534-I573 HydrophobicContact CG2-CG1 4.17Å; P538-I573 HydrophobicContact CG-CG1 4.32Å; V540-I573 HydrophobicContact CG2-CG2 4.16Å; L543-I573 HydrophobicContact CD2-CD1 4.29Å; L543-I573 HydrophobicContact CD2-CG2 4.5Å; I555-I573 HydrophobicContact CD1-CD1 4.36Å; I555-I573 HydrophobicContact CG1-CB 4.29Å; I555-I573 HydrophobicContact CG1-CD1 4.3Å; L559-I573 HydrophobicContact CD1-CG1 4.32Å; F568-I573 HydrophobicContact CE1-CD1 4.38Å
574	S	92.1	Very high	79.7	Confident	51 Å²	51	57 Å²	57	36%	0.357	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.6	-179.3	-62	0	0	0	0	110.8	P538 S539 V540	P538-S574 PolarHBondContact O-N 3.27Å; S539-S574 VanDerWaalsContact CA-O 3.25Å; S539-S574 WeakPolarHBondContact CA-O 3.41Å; V540-S574 PolarHBondContact N-O 3.45Å
575	I	92.7	Very high	79	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.6	177.7	-55.5	176.7	0	0	0	107.7	V540 L543 Q550 N552 I555	V540-I575 HydrophobicContact CG2-CG1 4.07Å; L543-I575 HydrophobicContact CB-CD1 3.78Å; L543-I575 HydrophobicContact CB-CG1 4.24Å; L543-I575 HydrophobicContact CD2-CD1 4.07Å; Q550-I575 HydrophobicContact CB-CD1 3.79Å; Q550-I575 WeakPolarHBondContact O-CD1 3.41Å; N552-I575 PolarHBondContact ND2-O 3.3Å; N552-I575 PolarHBondContact OD1-N 3.1Å; N552-I575 PolarHBondContact OD1-O 3.18Å; I555-I575 HydrophobicContact CB-CD1 4.28Å; I555-I575 HydrophobicContact CG2-CD1 3.94Å; I555-I575 HydrophobicContact CG2-CG1 4.41Å
576	T	89.2	Confident	78.7	Confident	49 Å²	49	58.2 Å²	58.2	30%	0.301	33%	0.331	S	S	.	.			trans	-88.4	-20.2	-169.7	63	0	0	0	0	113.2	K518 V540 S578	K518-T576 HydrophobicContact CD-CG2 4.22Å; K518-T576 HydrophobicContact CG-CG2 3.93Å; K518-T576 PolarHBondContact O-OG1 3.46Å; V540-T576 PolarHBondContact O-N 3.03Å; V540-T576 PolarHBondContact O-OG1 3.37Å; T576-S578 PolarHBondContact O-N 2.85Å; T576-S578 PolarHBondContact OG1-N 2.87Å; T576-S578 PolarHBondContact OG1-OG 3.38Å
577	H	83.3	Confident	78.7	Confident	88 Å²	88	57.7 Å²	57.7	41%	0.407	33%	0.331	S	S	.	.			trans	52.4	18.9	-170.3	-55.4	-77.1	0	0	0	113.6	G541	G541-H577 VanDerWaalsContact O-CA 3.31Å; G541-H577 WeakPolarHBondContact O-CA 3.41Å; G541-H577 PolarHBondContact O-N 3.36Å; G541-H577 VanDerWaalsContact O-N 3.11Å
578	S	78.7	Confident	78.6	Confident	29 Å²	29	56 Å²	56	20%	0.203	32%	0.323	C	S	.	.			trans	-84.7	115.6	175.2	51.4	0	0	0	0	110.7	K518 F519 T576	K518-S578 VanDerWaalsContact CE-OG 3.26Å; K518-S578 WeakPolarHBondContact CE-OG 3.36Å; K518-S578 WeakPolarHBondContact CG-OG 3.04Å; K518-S578 PolarHBondContact O-OG 3.21Å; F519-S578 WeakPolarHBondContact CD1-O 3.24Å; T576-S578 PolarHBondContact O-N 2.85Å; T576-S578 PolarHBondContact OG1-N 2.87Å; T576-S578 PolarHBondContact OG1-OG 3.38Å
579	E	75.6	Confident	78.5	Confident	127 Å²	127	57.2 Å²	57.2	59%	0.593	33%	0.329	S	S	*	.			trans	-84.5	146.2	166.2	-61.3	-174.9	163.2	0	0	109.6	K542 T581	K542-E579 WeakPolarHBondContact CE-OE1 3.36Å; K542-E579 IonicContact NZ-OE1 2.78Å; K542-E579 PolarHBondContact NZ-OE1 3.07Å; E579-T581 PolarHBondContact O-N 2.86Å; E579-T581 VanDerWaalsContact O-N 3.09Å
580	C	75.6	Confident	78.7	Confident	52 Å²	52	55 Å²	55	35%	0.351	32%	0.316	S	S	.	.			trans	-71	106.3	178.3	-173.1	0	0	0	0	110.5	F519 L582 C586	F519-C580 HydrophobicContact CB-CB 4.32Å; F519-C580 HydrophobicContact CD1-CB 4.26Å; F519-C580 HydrophobicContact CG-CB 4.4Å; C580-L582 VanDerWaalsContact C-N 3.28Å; C580-L582 PolarHBondContact SG-O 3.25Å; C580-L582 VanDerWaalsContact SG-O 3.34Å; C580-C586 WeakPolarHBondContact CA-SG 3.32Å; C580-C586 HydrophobicContact CB-CB 3.93Å; C580-C586 WeakPolarHBondContact CB-SG 3.22Å; C580-C586 WeakPolarHBondContact SG-CB 3.27Å; C580-C586 PolarHBondContact SG-N 2.93Å; C580-C586 CovalentContact SG-SG 2.03Å; C580-C586 PolarHBondContact SG-SG 3.36Å
581	T	69.2	Low	78.8	Confident	133 Å²	133	53.4 Å²	53.4	82%	0.816	30%	0.296	S	S	*	.			trans	-79.6	-12.8	175	56.8	0	0	0	0	112.9	E579 K583	E579-T581 PolarHBondContact O-N 2.86Å; E579-T581 VanDerWaalsContact O-N 3.09Å; T581-K583 PolarHBondContact O-N 2.76Å
582	L	65.5	Low	79.2	Confident	40 Å²	40	49 Å²	49	21%	0.209	27%	0.272	C	S	.	.			trans	-77.9	116.4	175.1	-59.7	-178.7	0	0	0	109.4	C580 S584 D585 N635	C580-L582 VanDerWaalsContact C-N 3.28Å; C580-L582 PolarHBondContact SG-O 3.25Å; C580-L582 VanDerWaalsContact SG-O 3.34Å; L582-S584 PolarHBondContact O-N 3.46Å; L582-D585 WeakPolarHBondContact CB-O 3.44Å; L582-D585 WeakPolarHBondContact CD1-O 3.46Å; L582-N635 HydrophobicContact CD2-CB 4.03Å; L582-N635 VanDerWaalsContact CD2-CG 3.42Å; L582-N635 WeakPolarHBondContact CD2-OD1 3.47Å
583	K	60.7	Low	78.7	Confident	190 Å²	190	51.1 Å²	51.1	83%	0.826	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24	165.7	-63.7	-176.5	-179.6	-179.4	0	111.8	T581 D585 L641	T581-K583 PolarHBondContact O-N 2.76Å; K583-D585 VanDerWaalsContact C-N 3.3Å; K583-D585 PolarHBondContact O-N 3.13Å; K583-L641 HydrophobicContact CB-CD1 3.9Å; K583-L641 HydrophobicContact CB-CD2 3.61Å; K583-L641 HydrophobicContact CB-CG 4.41Å; K583-L641 HydrophobicContact CD-CD1 4.14Å; K583-L641 WeakPolarHBondContact O-CD2 3.21Å
584	S	56.8	Low	78.3	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.028	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	30.1	-172.7	71	0	0	0	0	114	L582 L641 Q644	L582-S584 PolarHBondContact O-N 3.46Å; S584-L641 VanDerWaalsContact CB-CD2 3.43Å; S584-L641 VanDerWaalsContact N-CD2 3.26Å; S584-Q644 PolarHBondContact O-NE2 3Å; S584-Q644 PolarHBondContact O-OE1 3.37Å
585	D	67.2	Low	78.2	Confident	81 Å²	81	55.6 Å²	55.6	43%	0.433	31%	0.306	S	S	.	.			trans	61.7	159.1	-168.9	-161.1	14.6	0	0	0	114.4	L582 K583 Q644	L582-D585 WeakPolarHBondContact CB-O 3.44Å; L582-D585 WeakPolarHBondContact CD1-O 3.46Å; K583-D585 VanDerWaalsContact C-N 3.3Å; K583-D585 PolarHBondContact O-N 3.13Å; D585-Q644 VanDerWaalsContact CB-NE2 3.29Å
586	C	74.8	Confident	78.1	Confident	12 Å²	12	56.1 Å²	56.1	8%	0.081	31%	0.308	C	S	.	.			trans	-105.5	143.3	-178.7	-83.4	0	0	0	0	112.1	F519 C580 N588	F519-C586 HydrophobicContact CB-CB 4.42Å; F519-C586 HydrophobicContact CD1-CB 4.36Å; F519-C586 HydrophobicContact CD2-CB 3.44Å; F519-C586 VanDerWaalsContact CD2-CB 3.44Å; F519-C586 HydrophobicContact CE2-CB 3.68Å; F519-C586 HydrophobicContact CG-CB 3.81Å; F519-C586 HydrophobicContact CZ-CB 4.23Å; C580-C586 WeakPolarHBondContact CA-SG 3.32Å; C580-C586 HydrophobicContact CB-CB 3.93Å; C580-C586 WeakPolarHBondContact CB-SG 3.22Å; C580-C586 WeakPolarHBondContact SG-CB 3.27Å; C580-C586 PolarHBondContact SG-N 2.93Å; C580-C586 CovalentContact SG-SG 2.03Å; C580-C586 PolarHBondContact SG-SG 3.36Å; C586-N588 PolarHBondContact O-N 2.96Å
587	P	77.5	Confident	78.2	Confident	34 Å²	34	58.7 Å²	58.7	22%	0.221	32%	0.32	C	S	.	.			trans	-66	119.5	179.5	27.4	-33.2	0	0	0	110.4	E589 K665 Y667	P587-E589 PolarHBondContact O-N 2.77Å; P587-K665 HydrophobicContact CB-CG 4.23Å; P587-Y667 HydrophobicContact CB-CD2 4.4Å
588	N	81.5	Confident	78.6	Confident	18 Å²	18	56.5 Å²	56.5	10%	0.096	31%	0.31	C	S	.	.			trans	-77.2	110.9	179.8	-174.7	-2.6	0	0	0	111.1	S512 D513 C586 N590 S591	S512-N588 PolarHBondContact O-ND2 2.95Å; D513-N588 WeakPolarHBondContact CA-ND2 3.48Å; D513-N588 PolarHBondContact N-ND2 3.07Å; D513-N588 PolarHBondContact OD1-ND2 3.37Å; C586-N588 PolarHBondContact O-N 2.96Å; N588-N590 PolarHBondContact O-N 2.78Å; N588-N590 VanDerWaalsContact O-N 3.13Å; N588-N590 VanDerWaalsContact OD1-CB 3.27Å; N588-N590 WeakPolarHBondContact OD1-CB 3.32Å; N588-N590 PolarHBondContact OD1-N 3.1Å; N588-S591 WeakPolarHBondContact O-CB 3.4Å; N588-S591 PolarHBondContact O-N 2.9Å; N588-S591 VanDerWaalsContact O-N 3.1Å; N588-S591 PolarHBondContact O-OG 2.92Å
589	E	85.5	Confident	79.3	Confident	32 Å²	32	55.1 Å²	55.1	15%	0.15	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-62.7	-14.9	177.9	58.8	169.7	-129.7	0	0	114.3	K518 S539 P587 S591 A592 K595 Y667	K518-E589 HydrophobicContact CB-CG 4.13Å; S539-E589 WeakPolarHBondContact CB-OE1 3.5Å; S539-E589 VanDerWaalsContact OG-CD 3.31Å; S539-E589 PolarHBondContact OG-OE1 3.29Å; P587-E589 PolarHBondContact O-N 2.77Å; E589-S591 PolarHBondContact O-N 3.06Å; E589-A592 WeakPolarHBondContact O-CB 3.31Å; E589-A592 PolarHBondContact O-N 3.15Å; E589-K595 VanDerWaalsContact CD-NZ 3.35Å; E589-K595 IonicContact OE1-NZ 3.03Å; E589-K595 PolarHBondContact OE1-NZ 3.16Å; E589-Y667 HydrophobicContact CB-CD2 3.94Å; E589-Y667 HydrophobicContact CB-CE2 3.58Å
590	N	88.4	Confident	80.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-71.8	-13.1	174.6	-63	-15.9	0	0	0	112.8	V515 P516 N588 A592 K595 I599	V515-N590 PolarHBondContact O-ND2 3.28Å; P516-N590 VanDerWaalsContact C-ND2 3.32Å; P516-N590 PolarHBondContact O-ND2 3.41Å; N588-N590 PolarHBondContact O-N 2.78Å; N588-N590 VanDerWaalsContact O-N 3.13Å; N588-N590 VanDerWaalsContact OD1-CB 3.27Å; N588-N590 WeakPolarHBondContact OD1-CB 3.32Å; N588-N590 PolarHBondContact OD1-N 3.1Å; N590-A592 VanDerWaalsContact C-N 3.28Å; N590-A592 PolarHBondContact O-N 3.09Å; N590-K595 WeakPolarHBondContact OD1-CD 3.35Å; N590-K595 PolarHBondContact OD1-NZ 3.36Å; N590-I599 HydrophobicContact CB-CD1 4Å
591	S	83.7	Confident	81	Confident	16 Å²	16	53.8 Å²	53.8	11%	0.112	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-78.4	-5.2	171.1	66.9	0	0	0	0	114.4	N588 E589 Y667	N588-S591 WeakPolarHBondContact O-CB 3.4Å; N588-S591 PolarHBondContact O-N 2.9Å; N588-S591 VanDerWaalsContact O-N 3.1Å; N588-S591 PolarHBondContact O-OG 2.92Å; E589-S591 PolarHBondContact O-N 3.06Å; S591-Y667 WeakPolarHBondContact OG-CB 3.27Å
592	A	83.6	Confident	82	Confident	31 Å²	31	50.7 Å²	50.7	26%	0.256	27%	0.272	S	S	.	.	S	Bend	trans	-66.9	147.5	171.5	0	0	0	0	0	111.6	E589 N590 D594 K595 M596 Y667	E589-A592 WeakPolarHBondContact O-CB 3.31Å; E589-A592 PolarHBondContact O-N 3.15Å; N590-A592 VanDerWaalsContact C-N 3.28Å; N590-A592 PolarHBondContact O-N 3.09Å; A592-D594 VanDerWaalsContact C-N 3.3Å; A592-D594 PolarHBondContact O-N 3.37Å; A592-D594 VanDerWaalsContact O-N 3.1Å; A592-K595 PolarHBondContact O-N 3.13Å; A592-M596 WeakPolarHBondContact O-CB 3.47Å; A592-M596 PolarHBondContact O-N 3.12Å; A592-Y667 HydrophobicContact CB-CD1 4.09Å; A592-Y667 HydrophobicContact CB-CE1 4.24Å
593	S	78.1	Confident	83.3	Confident	79 Å²	79	50.1 Å²	50.1	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-46.1	-48	-170.8	45.7	0	0	0	0	114.6	M596 N597	S593-M596 PolarHBondContact O-N 2.95Å; S593-N597 PolarHBondContact O-N 3Å; S593-N597 PolarHBondContact O-ND2 2.72Å
594	D	84.9	Confident	84.6	Confident	117 Å²	117	50.5 Å²	50.5	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-74.6	-42.8	-164.2	-51.6	-5.6	0	0	0	110.7	A592 E598	A592-D594 VanDerWaalsContact C-N 3.3Å; A592-D594 PolarHBondContact O-N 3.37Å; A592-D594 VanDerWaalsContact O-N 3.1Å; D594-E598 PolarHBondContact O-N 2.83Å
595	K	89.1	Confident	86	Confident	32 Å²	32	52.6 Å²	52.6	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-70.1	-39.8	172.1	-66.6	179.1	171.6	-171.4	0	111.7	W495 E589 N590 A592 N597 E598 I599	W495-K595 HydrophobicContact CE3-CB 4.5Å; W495-K595 HydrophobicContact CH2-CD 3.89Å; W495-K595 HydrophobicContact CH2-CG 4Å; W495-K595 HydrophobicContact CZ3-CB 4.17Å; W495-K595 HydrophobicContact CZ3-CD 3.81Å; W495-K595 HydrophobicContact CZ3-CG 3.96Å; E589-K595 VanDerWaalsContact CD-NZ 3.35Å; E589-K595 IonicContact OE1-NZ 3.03Å; E589-K595 PolarHBondContact OE1-NZ 3.16Å; N590-K595 WeakPolarHBondContact OD1-CD 3.35Å; N590-K595 PolarHBondContact OD1-NZ 3.36Å; A592-K595 PolarHBondContact O-N 3.13Å; K595-N597 VanDerWaalsContact C-N 3.28Å; K595-N597 PolarHBondContact O-N 3.35Å; K595-E598 PolarHBondContact O-N 2.66Å; K595-E598 VanDerWaalsContact O-N 3.14Å; K595-I599 WeakPolarHBondContact O-CG1 3.23Å; K595-I599 PolarHBondContact O-N 3.34Å
596	M	90.7	Very high	86.6	Confident	15 Å²	15	54.2 Å²	54.2	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-36.5	-179.6	-168.1	63.6	-167.7	0	0	111.6	A592 S593 I599 C600 G619 H620	A592-M596 WeakPolarHBondContact O-CB 3.47Å; A592-M596 PolarHBondContact O-N 3.12Å; S593-M596 PolarHBondContact O-N 2.95Å; M596-I599 PolarHBondContact O-N 3Å; M596-C600 WeakPolarHBondContact O-CB 3Å; M596-C600 PolarHBondContact O-N 2.9Å; M596-C600 PolarHBondContact O-SG 3.15Å; M596-G619 WeakPolarHBondContact CE-O 3.38Å; M596-H620 WeakPolarHBondContact CE-O 3.42Å
597	N	91.4	Very high	86.4	Confident	103 Å²	103	63.2 Å²	63.2	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-61	-46.9	171.9	-70.9	-26.1	0	0	0	111.6	S593 K595 C600 N601	S593-N597 PolarHBondContact O-N 3Å; S593-N597 PolarHBondContact O-ND2 2.72Å; K595-N597 VanDerWaalsContact C-N 3.28Å; K595-N597 PolarHBondContact O-N 3.35Å; N597-C600 PolarHBondContact O-N 3.41Å; N597-N601 PolarHBondContact O-N 3.14Å; N597-N601 VanDerWaalsContact O-N 3.09Å; N597-N601 PolarHBondContact O-OD1 3.2Å
598	E	91.6	Very high	85.9	Confident	41 Å²	41	65.9 Å²	65.9	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-36.3	179.3	-177.3	65.3	172.5	0	0	112.7	W495 S535 L536 D594 K595 C600 N601 H602	W495-E598 HydrophobicContact CB-CB 4.49Å; W495-E598 HydrophobicContact CB-CG 3.77Å; W495-E598 VanDerWaalsContact CD1-CG 3.43Å; W495-E598 HydrophobicContact CD2-CG 4.42Å; W495-E598 HydrophobicContact CG-CB 4.37Å; W495-E598 HydrophobicContact CG-CG 3.58Å; S535-E598 PolarHBondContact OG-OE1 3.04Å; L536-E598 HydrophobicContact CD1-CB 3.72Å; L536-E598 HydrophobicContact CD1-CG 3.92Å; D594-E598 PolarHBondContact O-N 2.83Å; K595-E598 PolarHBondContact O-N 2.66Å; K595-E598 VanDerWaalsContact O-N 3.14Å; E598-C600 VanDerWaalsContact C-N 3.34Å; E598-N601 WeakPolarHBondContact O-CB 3.42Å; E598-N601 PolarHBondContact O-N 2.03Å; E598-N601 PolarHBondContact OE2-ND2 3.47Å; E598-H602 PolarHBondContact O-ND1 3.34Å; E598-H602 IonicContact OE1-CE1 2.7Å
599	I	93.5	Very high	85.2	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-45.8	170.7	-69.4	164.2	0	0	0	110.4	W495 P497 H511 V515 N590 K595 M596 N601 H602	W495-I599 HydrophobicContact CB-CG1 4.04Å; W495-I599 HydrophobicContact CE3-CD1 4.32Å; W495-I599 HydrophobicContact CE3-CG1 4.14Å; W495-I599 WeakPolarHBondContact O-CA 3.04Å; P497-I599 HydrophobicContact CG-CG2 3.64Å; H511-I599 HydrophobicContact CB-CG2 3.99Å; V515-I599 HydrophobicContact CB-CD1 4.4Å; V515-I599 HydrophobicContact CG2-CD1 4.34Å; V515-I599 HydrophobicContact CG2-CG1 4.22Å; N590-I599 HydrophobicContact CB-CD1 4Å; K595-I599 WeakPolarHBondContact O-CG1 3.23Å; K595-I599 PolarHBondContact O-N 3.34Å; M596-I599 PolarHBondContact O-N 3Å; I599-N601 VanDerWaalsContact C-N 3.27Å; I599-N601 PolarHBondContact O-N 3.05Å; I599-H602 PolarHBondContact O-N 3.49Å; I599-H602 VanDerWaalsContact O-N 3.1Å
600	C	93.5	Very high	84.6	Confident	32 Å²	32	71.2 Å²	71.2	22%	0.216	37%	0.373	C	S	.	.	H	α-helix	trans	-70.3	-18.6	-178.6	-60.3	0	0	0	0	114.6	M596 N597 E598 H602 V603 C621	M596-C600 WeakPolarHBondContact O-CB 3Å; M596-C600 PolarHBondContact O-N 2.9Å; M596-C600 PolarHBondContact O-SG 3.15Å; N597-C600 PolarHBondContact O-N 3.41Å; E598-C600 VanDerWaalsContact C-N 3.34Å; C600-H602 PolarHBondContact O-N 2.92Å; C600-V603 PolarHBondContact O-N 3.32Å; C600-C621 WeakPolarHBondContact CA-SG 3.48Å; C600-C621 HydrophobicContact CB-CB 3.8Å; C600-C621 WeakPolarHBondContact CB-SG 3.33Å; C600-C621 WeakPolarHBondContact SG-CA 3.46Å; C600-C621 WeakPolarHBondContact SG-CB 3.35Å; C600-C621 CovalentContact SG-SG 2.04Å; C600-C621 PolarHBondContact SG-SG 3.47Å
601	N	93.1	Very high	83.9	Confident	120 Å²	120	71.3 Å²	71.3	64%	0.642	37%	0.374	S	S	*	.	H	α-helix	trans	-62.1	-24.3	169.9	-68.3	-26.1	0	0	0	112.5	N597 E598 I599	N597-N601 PolarHBondContact O-N 3.14Å; N597-N601 VanDerWaalsContact O-N 3.09Å; N597-N601 PolarHBondContact O-OD1 3.2Å; E598-N601 WeakPolarHBondContact O-CB 3.42Å; E598-N601 PolarHBondContact O-N 2.03Å; E598-N601 PolarHBondContact OE2-ND2 3.47Å; I599-N601 VanDerWaalsContact C-N 3.27Å; I599-N601 PolarHBondContact O-N 3.05Å
602	H	91.4	Very high	83.4	Confident	67 Å²	67	74.5 Å²	74.5	31%	0.31	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.9	-177.1	-60.3	85.8	0	0	0	113.3	S493 D496 E598 I599 C600	S493-H602 VanDerWaalsContact CB-CE1 3.48Å; S493-H602 WeakPolarHBondContact CB-CE1 3Å; S493-H602 WeakPolarHBondContact CB-NE2 3.43Å; S493-H602 PolarHBondContact OG-CE1 3.28Å; D496-H602 HydrophobicContact CB-CB 3.87Å; E598-H602 PolarHBondContact O-ND1 3.34Å; E598-H602 IonicContact OE1-CE1 2.7Å; I599-H602 PolarHBondContact O-N 3.49Å; I599-H602 VanDerWaalsContact O-N 3.1Å; C600-H602 PolarHBondContact O-N 2.92Å
603	V	91.6	Very high	83.1	Confident	29 Å²	29	76.2 Å²	76.2	18%	0.176	40%	0.397	C	S	.	.			trans	-104.1	122.9	-175.2	175.3	0	0	0	0	111.8	P497 H511 C600 C605 C621	P497-V603 HydrophobicContact CG-CG2 3.78Å; H511-V603 WeakPolarHBondContact CE1-CG1 3.45Å; C600-V603 PolarHBondContact O-N 3.32Å; V603-C605 PolarHBondContact O-N 2.88Å; V603-C621 HydrophobicContact CB-CB 4.14Å; V603-C621 HydrophobicContact CG1-CB 4.03Å; V603-C621 HydrophobicContact CG2-CB 4.36Å
604	Q	89.2	Confident	83.4	Confident	197 Å²	197	74.2 Å²	74.2	92%	0.921	38%	0.384	S	S	*	.			trans	-86.3	101.8	170.8	-62.9	-173.1	4.7	0	0	110.9
605	C	86.7	Confident	83.4	Confident	48 Å²	48	69.5 Å²	69.5	32%	0.324	36%	0.358	S	S	.	.			trans	-85.6	134.6	175.8	-63.6	0	0	0	0	112.5	V603 K607 C622	V603-C605 PolarHBondContact O-N 2.88Å; C605-K607 PolarHBondContact O-N 3.3Å; C605-C622 WeakPolarHBondContact CA-SG 2.96Å; C605-C622 HydrophobicContact CB-CB 3.68Å; C605-C622 WeakPolarHBondContact CB-SG 3.2Å; C605-C622 WeakPolarHBondContact SG-CA 3.32Å; C605-C622 WeakPolarHBondContact SG-CB 3.33Å; C605-C622 CovalentContact SG-SG 2.04Å; C605-C622 PolarHBondContact SG-SG 3.2Å
606	D	79.2	Confident	83.4	Confident	115 Å²	115	72.4 Å²	72.4	62%	0.615	37%	0.37	S	S	*	.			trans	-63.1	130.9	166	-172.6	-4.8	0	0	0	109.8	T608	D606-T608 WeakPolarHBondContact OD1-CB 3.28Å; D606-T608 PolarHBondContact OD1-N 3.02Å; D606-T608 PolarHBondContact OD1-OG1 3.32Å; D606-T608 PolarHBondContact OD2-OG1 3.42Å
607	K	70.5	Confident	83.3	Confident	201 Å²	201	71.9 Å²	71.9	87%	0.874	37%	0.368	S	S	*	.	S	Bend	trans	-88.7	-8	179.2	-63.6	179.1	-178.5	177.1	0	112.3	C605 A609	C605-K607 PolarHBondContact O-N 3.3Å; K607-A609 PolarHBondContact O-N 3.19Å
608	T	67.6	Low	83.1	Confident	91 Å²	91	69.1 Å²	69.1	56%	0.558	36%	0.355	S	S	*	.			trans	-98.9	53.5	-172.7	66.1	0	0	0	0	113.4	D606 R610	D606-T608 WeakPolarHBondContact OD1-CB 3.28Å; D606-T608 PolarHBondContact OD1-N 3.02Å; D606-T608 PolarHBondContact OD1-OG1 3.32Å; D606-T608 PolarHBondContact OD2-OG1 3.42Å; T608-R610 PolarHBondContact O-N 2.04Å
609	A	65.5	Low	82.9	Confident	20 Å²	20	67.3 Å²	67.3	17%	0.165	35%	0.347	C	S	.	.			trans	-54	124.7	169.8	0	0	0	0	0	110.9	K607 C611 R715	K607-A609 PolarHBondContact O-N 3.19Å; A609-C611 VanDerWaalsContact C-N 3.31Å; A609-C611 PolarHBondContact O-N 3.2Å; A609-R715 PolarHBondContact O-NE 2.83Å; A609-R715 PolarHBondContact O-NH1 3.29Å; A609-R715 PolarHBondContact O-NH2 3.16Å
610	R	72.5	Confident	82.8	Confident	142 Å²	142	68.6 Å²	68.6	54%	0.536	35%	0.353	S	S	.	.	S	Bend	trans	-88.8	7.3	-175.7	-64.1	178.9	178.1	-163.1	7.5	114.3	T608 D682 G683 R715	T608-R610 PolarHBondContact O-N 2.04Å; R610-D682 PolarHBondContact NH1-O 2.92Å; R610-D682 VanDerWaalsContact NH1-O 3.07Å; R610-G683 WeakPolarHBondContact CD-O 3.34Å; R610-G683 PolarHBondContact NH1-O 2.95Å; R610-R715 WeakPolarHBondContact O-CB 3.48Å; R610-R715 WeakPolarHBondContact O-CD 3.48Å; R610-R715 VanDerWaalsContact O-CG 3.27Å; R610-R715 WeakPolarHBondContact O-CG 3.4Å
611	C	74.9	Confident	82.7	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.007	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-108.7	169.1	175.5	47.8	0	0	0	0	111.2	A609 C625 S713 R715	A609-C611 VanDerWaalsContact C-N 3.31Å; A609-C611 PolarHBondContact O-N 3.2Å; C611-C625 HydrophobicContact CB-CB 3.73Å; C611-C625 WeakPolarHBondContact CB-SG 3.31Å; C611-C625 PolarHBondContact N-SG 3.07Å; C611-C625 WeakPolarHBondContact SG-CA 3.07Å; C611-C625 WeakPolarHBondContact SG-CB 3.23Å; C611-C625 CovalentContact SG-SG 2.03Å; C611-C625 PolarHBondContact SG-SG 3.09Å; C611-S713 VanDerWaalsContact CA-O 3.23Å; C611-S713 WeakPolarHBondContact CA-O 3.24Å; C611-S713 WeakPolarHBondContact CB-O 3.3Å; C611-R715 PolarHBondContact O-NE 3.11Å
612	T	72.9	Confident	82.5	Confident	84 Å²	84	62.6 Å²	62.6	52%	0.515	32%	0.321	S	S	.	.	S	Bend	trans	-82.4	-38.8	176.7	23.5	0	0	0	0	112.6	S713 R715	T612-S713 PolarHBondContact N-O 2.94Å; T612-S713 VanDerWaalsContact N-O 3.15Å; T612-S713 PolarHBondContact OG1-O 2.99Å; T612-S713 PolarHBondContact OG1-OG 3.44Å; T612-R715 HydrophobicContact CG2-CG 4.22Å
613	N	78	Confident	82.3	Confident	66 Å²	66	64.4 Å²	64.4	35%	0.353	33%	0.329	S	S	.	.	S	Bend	trans	-123.8	75.1	-179.8	62.1	-34.6	0	0	0	111.3	V711 S712 S713	N613-V711 PolarHBondContact ND2-O 3.16Å; N613-S712 PolarHBondContact O-OG 2.66Å; N613-S712 VanDerWaalsContact OD1-CA 3.26Å; N613-S712 WeakPolarHBondContact OD1-CA 3.15Å; N613-S713 PolarHBondContact OD1-N 3.24Å; N613-S713 PolarHBondContact OD1-OG 2.9Å
614	S	83.2	Confident	81.8	Confident	38 Å²	38	65 Å²	65	27%	0.266	33%	0.329	S	S	.	.			trans	-73.1	130.9	170.5	56.5	0	0	0	0	111.4	H623 F624	S614-H623 PolarHBondContact O-ND1 3.1Å; S614-F624 VanDerWaalsContact CA-O 3.28Å; S614-F624 WeakPolarHBondContact CA-O 3.43Å; S614-F624 WeakPolarHBondContact CB-O 3.35Å
615	F	85.1	Confident	81.4	Confident	17 Å²	17	56.6 Å²	56.6	8%	0.075	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-113.8	165.3	178.9	71.7	-83.1	0	0	0	111.7	P617 H623 F624 G626 T628 I710	F615-P617 HydrophobicContact CE2-CB 4.09Å; F615-P617 HydrophobicContact CE2-CG 4.19Å; F615-H623 VanDerWaalsContact O-CA 3.31Å; F615-H623 WeakPolarHBondContact O-CA 3.39Å; F615-F624 HydrophobicContact CE2-CZ 4.36Å; F615-F624 HydrophobicContact CZ-CE2 4.14Å; F615-F624 HydrophobicContact CZ-CZ 4.22Å; F615-F624 PolarHBondContact N-O 3.01Å; F615-F624 PolarHBondContact O-N 3.03Å; F615-G626 VanDerWaalsContact CE1-C 3.49Å; F615-T628 HydrophobicContact CD2-CG2 3.78Å; F615-T628 HydrophobicContact CE1-CG2 4.39Å; F615-T628 HydrophobicContact CE2-CG2 3.28Å; F615-T628 HydrophobicContact CZ-CG2 3.65Å; F615-I710 HydrophobicContact CB-CG2 4.02Å; F615-I710 HydrophobicContact CD1-CG2 3.73Å; F615-I710 HydrophobicContact CE1-CG2 4.41Å; F615-I710 HydrophobicContact CG-CG2 3.88Å
616	K	88.3	Confident	81.3	Confident	93 Å²	93	54.3 Å²	54.3	40%	0.404	28%	0.277	S	S	.	.			trans	-118.2	109.2	176.6	175.4	176.2	175.2	161.3	0	108	H620 C621	K616-H620 WeakPolarHBondContact CE-O 3.33Å; K616-H620 WeakPolarHBondContact CG-O 2.97Å; K616-C621 WeakPolarHBondContact CD-O 3.22Å; K616-C621 WeakPolarHBondContact CE-O 3.35Å; K616-C621 PolarHBondContact NZ-O 2.83Å
617	P	88.7	Confident	81.6	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.026	25%	0.247	C	C	.	.			trans	-71.3	162.4	176.1	27.5	-30.2	0	0	0	111.3	L510 F615 H620 F624 V675	L510-P617 HydrophobicContact CD2-CG 4.45Å; F615-P617 HydrophobicContact CE2-CB 4.09Å; F615-P617 HydrophobicContact CE2-CG 4.19Å; P617-H620 HydrophobicContact CG-CB 3.82Å; P617-H620 PolarHBondContact O-N 2.98Å; P617-F624 HydrophobicContact CG-CE1 3.57Å; P617-F624 HydrophobicContact CG-CZ 3.83Å; P617-V675 HydrophobicContact CB-CG1 4.33Å; P617-V675 HydrophobicContact CB-CG2 3.71Å; P617-V675 HydrophobicContact CG-CG1 4.04Å; P617-V675 HydrophobicContact CG-CG2 4.24Å
618	V	88.2	Confident	82.4	Confident	45 Å²	45	39.3 Å²	39.3	27%	0.273	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	138.6	173.4	-177.3	0	0	0	0	108.5	L510 H620 I666	L510-V618 WeakPolarHBondContact CD1-O 3.32Å; V618-H620 VanDerWaalsContact C-N 3.28Å; V618-H620 PolarHBondContact O-N 3.49Å; V618-I666 HydrophobicContact CB-CG1 4.44Å; V618-I666 HydrophobicContact CG1-CG1 4.43Å; V618-I666 HydrophobicContact CG1-CG2 4.35Å; V618-I666 HydrophobicContact CG2-CD1 4.34Å; V618-I666 HydrophobicContact CG2-CG1 4.37Å
619	G	88	Confident	83.4	Confident	3 Å²	3	35.3 Å²	35.3	3%	0.031	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-5.4	-179	0	0	0	0	0	115.9	L510 H511 S512 M596	L510-G619 WeakPolarHBondContact CB-O 3.47Å; H511-G619 PolarHBondContact N-O 3.34Å; S512-G619 PolarHBondContact N-O 3.36Å; S512-G619 WeakPolarHBondContact OG-CA 3.47Å; S512-G619 PolarHBondContact OG-O 3.18Å; M596-G619 WeakPolarHBondContact CE-O 3.38Å
620	H	90.3	Very high	84.5	Confident	28 Å²	28	36.9 Å²	36.9	13%	0.13	18%	0.184	C	C	.	.			trans	-114.8	148.2	174	-166.6	70.5	0	0	0	112.2	L510 H511 M596 K616 P617 V618 C622 F624	L510-H620 HydrophobicContact CD2-CB 4.03Å; H511-H620 AromaticContact CD2-CE1 3.85Å; H511-H620 AromaticContact CD2-ND1 3.7Å; H511-H620 AromaticContact CE1-CE1 3.11Å; H511-H620 PolarHBondContact CE1-CE1 3.14Å; H511-H620 AromaticContact CE1-ND1 3.41Å; H511-H620 PolarHBondContact CE1-ND1 2.87Å; H511-H620 AromaticContact CE1-NE2 3.76Å; H511-H620 AromaticContact CG-ND1 3.71Å; H511-H620 AromaticContact ND1-CE1 3.75Å; H511-H620 AromaticContact ND1-ND1 3.56Å; H511-H620 AromaticContact NE2-CE1 3.16Å; H511-H620 PolarHBondContact NE2-CE1 3.41Å; H511-H620 AromaticContact NE2-ND1 3.49Å; H511-H620 PolarHBondContact NE2-ND1 3.46Å; M596-H620 WeakPolarHBondContact CE-O 3.42Å; K616-H620 WeakPolarHBondContact CE-O 3.33Å; K616-H620 WeakPolarHBondContact CG-O 2.97Å; P617-H620 HydrophobicContact CG-CB 3.82Å; P617-H620 PolarHBondContact O-N 2.98Å; V618-H620 VanDerWaalsContact C-N 3.28Å; V618-H620 PolarHBondContact O-N 3.49Å; H620-C622 PolarHBondContact CD2-N 3.16Å; H620-C622 PolarHBondContact CD2-O 3.36Å; H620-F624 AromaticContact CD2-CD1 3.81Å; H620-F624 AromaticContact CD2-CE1 3.74Å
621	C	91.7	Very high	85.1	Confident	8 Å²	8	30.2 Å²	30.2	5%	0.054	16%	0.159	C	C	.	.			trans	-88.2	-33.6	-174.4	-70.2	0	0	0	0	114.4	H511 C600 V603 K616	H511-C621 VanDerWaalsContact ND1-CB 3.33Å; H511-C621 WeakPolarHBondContact ND1-CB 3.2Å; H511-C621 PolarHBondContact ND1-N 3.2Å; H511-C621 VanDerWaalsContact ND1-N 3.2Å; C600-C621 WeakPolarHBondContact CA-SG 3.48Å; C600-C621 HydrophobicContact CB-CB 3.8Å; C600-C621 WeakPolarHBondContact CB-SG 3.33Å; C600-C621 WeakPolarHBondContact SG-CA 3.46Å; C600-C621 WeakPolarHBondContact SG-CB 3.35Å; C600-C621 CovalentContact SG-SG 2.04Å; C600-C621 PolarHBondContact SG-SG 3.47Å; V603-C621 HydrophobicContact CB-CB 4.14Å; V603-C621 HydrophobicContact CG1-CB 4.03Å; V603-C621 HydrophobicContact CG2-CB 4.36Å; K616-C621 WeakPolarHBondContact CD-O 3.22Å; K616-C621 WeakPolarHBondContact CE-O 3.35Å; K616-C621 PolarHBondContact NZ-O 2.83Å
622	C	89.2	Confident	85.5	Confident	18 Å²	18	31.4 Å²	31.4	12%	0.122	17%	0.167	C	C	.	.	S	Bend	trans	-94.7	154.1	-168.9	-52.1	0	0	0	0	112	C605 H620	C605-C622 WeakPolarHBondContact CA-SG 2.96Å; C605-C622 HydrophobicContact CB-CB 3.68Å; C605-C622 WeakPolarHBondContact CB-SG 3.2Å; C605-C622 WeakPolarHBondContact SG-CA 3.32Å; C605-C622 WeakPolarHBondContact SG-CB 3.33Å; C605-C622 CovalentContact SG-SG 2.04Å; C605-C622 PolarHBondContact SG-SG 3.2Å; H620-C622 PolarHBondContact CD2-N 3.16Å; H620-C622 PolarHBondContact CD2-O 3.36Å
623	H	86.6	Confident	85.6	Confident	105 Å²	105	27.5 Å²	27.5	49%	0.486	14%	0.143	S	C	.	.			trans	-84.1	135.3	164	-75.3	-109	0	0	0	108.8	S614 F615	S614-H623 PolarHBondContact O-ND1 3.1Å; F615-H623 VanDerWaalsContact O-CA 3.31Å; F615-H623 WeakPolarHBondContact O-CA 3.39Å
624	F	82.1	Confident	85.1	Confident	42 Å²	42	31 Å²	31	18%	0.184	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-142.1	173.9	175.3	65.2	-92.2	0	0	0	111.9	S614 F615 P617 H620 V675 A677	S614-F624 VanDerWaalsContact CA-O 3.28Å; S614-F624 WeakPolarHBondContact CA-O 3.43Å; S614-F624 WeakPolarHBondContact CB-O 3.35Å; F615-F624 HydrophobicContact CE2-CZ 4.36Å; F615-F624 HydrophobicContact CZ-CE2 4.14Å; F615-F624 HydrophobicContact CZ-CZ 4.22Å; F615-F624 PolarHBondContact N-O 3.01Å; F615-F624 PolarHBondContact O-N 3.03Å; P617-F624 HydrophobicContact CG-CE1 3.57Å; P617-F624 HydrophobicContact CG-CZ 3.83Å; H620-F624 AromaticContact CD2-CD1 3.81Å; H620-F624 AromaticContact CD2-CE1 3.74Å; F624-V675 HydrophobicContact CE2-CG1 4.32Å; F624-V675 HydrophobicContact CZ-CG1 3.62Å; F624-A677 HydrophobicContact CE2-CB 4.11Å
625	C	81.1	Confident	83.9	Confident	20 Å²	20	34.6 Å²	34.6	14%	0.135	17%	0.174	C	C	.	.	S	Bend	trans	-95.7	115.1	177.3	-51.8	0	0	0	0	108.9	C611 F685	C611-C625 HydrophobicContact CB-CB 3.73Å; C611-C625 WeakPolarHBondContact CB-SG 3.31Å; C611-C625 PolarHBondContact N-SG 3.07Å; C611-C625 WeakPolarHBondContact SG-CA 3.07Å; C611-C625 WeakPolarHBondContact SG-CB 3.23Å; C611-C625 CovalentContact SG-SG 2.03Å; C611-C625 PolarHBondContact SG-SG 3.09Å; C625-F685 HydrophobicContact CB-CB 3.68Å; C625-F685 HydrophobicContact CB-CD1 4.16Å; C625-F685 HydrophobicContact CB-CD2 3.9Å; C625-F685 HydrophobicContact CB-CG 3.6Å; C625-F685 WeakPolarHBondContact O-CD2 3.25Å
626	G	83.2	Confident	82.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.			trans	-164	-161	-169.9	0	0	0	0	0	112	F615 V676 F685 S712	F615-G626 VanDerWaalsContact CE1-C 3.49Å; G626-V676 WeakPolarHBondContact CA-O 3.25Å; G626-F685 VanDerWaalsContact C-CZ 3.45Å; G626-F685 WeakPolarHBondContact O-CZ 3.44Å; G626-S712 PolarHBondContact N-OG 3.28Å; G626-S712 PolarHBondContact O-N 2.81Å
627	A	85.9	Confident	81.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.2	166.5	0	0	0	0	0	111	V676 A690 L694 I710 V711	A627-V676 HydrophobicContact CB-CB 4.44Å; A627-V676 PolarHBondContact N-O 3.2Å; A627-V676 PolarHBondContact O-N 2.91Å; A627-A690 HydrophobicContact CB-CB 3.84Å; A627-L694 HydrophobicContact CB-CD1 3.37Å; A627-L694 HydrophobicContact CB-CG 3.96Å; A627-I710 CarbonylContact C-O 3.56Å; A627-I710 VanDerWaalsContact CA-O 3.26Å; A627-I710 WeakPolarHBondContact CA-O 3.24Å; A627-V711 HydrophobicContact CB-CB 4.39Å; A627-V711 HydrophobicContact CB-CG1 4.06Å; A627-V711 HydrophobicContact CB-CG2 4.19Å
628	T	88.6	Confident	80.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.3	178.5	-176.3	0	0	0	0	111.7	F615 Q673 A674 L709 I710	F615-T628 HydrophobicContact CD2-CG2 3.78Å; F615-T628 HydrophobicContact CE1-CG2 4.39Å; F615-T628 HydrophobicContact CE2-CG2 3.28Å; F615-T628 HydrophobicContact CZ-CG2 3.65Å; T628-Q673 WeakPolarHBondContact OG1-CG 3.43Å; T628-Q673 PolarHBondContact OG1-NE2 3.06Å; T628-A674 WeakPolarHBondContact CA-O 3.44Å; T628-A674 VanDerWaalsContact CB-O 3.25Å; T628-A674 WeakPolarHBondContact CB-O 3.37Å; T628-A674 PolarHBondContact OG1-O 2.71Å; T628-L709 CarbonylContact O-C 3.52Å; T628-L709 WeakPolarHBondContact O-CA 3.32Å; T628-I710 HydrophobicContact CG2-CB 3.83Å; T628-I710 HydrophobicContact CG2-CD1 4.28Å; T628-I710 HydrophobicContact CG2-CG1 4.38Å; T628-I710 PolarHBondContact N-O 2.85Å; T628-I710 PolarHBondContact O-N 3.14Å
629	F	87.9	Confident	79.8	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162.5	161	62.4	-105.1	0	0	0	109.5	F631 A674 L694 I697 L703 T706 L709	F629-F631 HydrophobicContact CD2-CB 4.21Å; F629-F631 AromaticContact CD2-CD1 3.93Å; F629-F631 HydrophobicContact CD2-CD1 3.93Å; F629-F631 HydrophobicContact CD2-CG 4.5Å; F629-F631 HydrophobicContact CE2-CB 4.05Å; F629-F631 AromaticContact CE2-CD1 3.52Å; F629-F631 HydrophobicContact CE2-CD1 3.52Å; F629-F631 HydrophobicContact CE2-CE1 4.27Å; F629-F631 HydrophobicContact CE2-CG 4.05Å; F629-A674 HydrophobicContact CD2-CB 4.31Å; F629-A674 HydrophobicContact CE1-CB 4.23Å; F629-A674 HydrophobicContact CE2-CB 3.91Å; F629-A674 HydrophobicContact CZ-CB 3.85Å; F629-A674 PolarHBondContact N-O 3.34Å; F629-A674 PolarHBondContact O-N 3.28Å; F629-L694 HydrophobicContact CD1-CB 4.04Å; F629-L694 HydrophobicContact CD1-CD1 4.06Å; F629-L694 HydrophobicContact CD1-CD2 3.67Å; F629-L694 HydrophobicContact CD1-CG 4.14Å; F629-L694 HydrophobicContact CE1-CB 3.95Å; F629-L694 HydrophobicContact CE1-CD2 3.65Å; F629-L694 HydrophobicContact CE1-CG 4.28Å; F629-I697 HydrophobicContact CZ-CG2 4.04Å; F629-L703 HydrophobicContact CE2-CD1 3.76Å; F629-L703 HydrophobicContact CZ-CD1 3.72Å; F629-T706 HydrophobicContact CD2-CG2 3.89Å; F629-T706 HydrophobicContact CE2-CG2 3.93Å; F629-T706 HydrophobicContact CG-CG2 4.48Å; F629-L709 HydrophobicContact CB-CD1 4.25Å
630	K	88.3	Confident	78.9	Confident	53 Å²	53	38.2 Å²	38.2	23%	0.23	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	150.6	167.7	-64.1	179.6	-168.2	162.2	0	110.5	I666 Y671 C672 Q673 T706 T707 D708	K630-I666 HydrophobicContact CD-CD1 3.74Å; K630-I666 HydrophobicContact CG-CD1 4.08Å; K630-Y671 HydrophobicContact CB-CD1 4.39Å; K630-C672 CarbonylContact C-O 3.48Å; K630-C672 WeakPolarHBondContact CA-O 3.06Å; K630-Q673 HydrophobicContact CG-CB 4.47Å; K630-Q673 HydrophobicContact CG-CG 4.47Å; K630-T706 CarbonylContact O-C 3.59Å; K630-T706 VanDerWaalsContact O-CA 3.3Å; K630-T706 WeakPolarHBondContact O-CA 3.19Å; K630-T707 PolarHBondContact N-O 3Å; K630-T707 PolarHBondContact O-N 2.86Å; K630-D708 HydrophobicContact CB-CB 4.45Å; K630-D708 HydrophobicContact CD-CB 4.01Å; K630-D708 WeakPolarHBondContact CD-OD2 3.48Å; K630-D708 VanDerWaalsContact CE-OD2 3.24Å; K630-D708 WeakPolarHBondContact CE-OD2 3.27Å; K630-D708 HydrophobicContact CG-CB 4.12Å; K630-D708 IonicContact NZ-OD2 2.79Å; K630-D708 PolarHBondContact NZ-OD2 2.99Å
631	F	85.4	Confident	77.7	Confident	1 Å²	1	38.7 Å²	38.7	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157	179.9	64.1	-82.2	0	0	0	110.8	F629 C633 T640 M643 I663 Y671 C672 A674 L703 T706	F629-F631 HydrophobicContact CD2-CB 4.21Å; F629-F631 AromaticContact CD2-CD1 3.93Å; F629-F631 HydrophobicContact CD2-CD1 3.93Å; F629-F631 HydrophobicContact CD2-CG 4.5Å; F629-F631 HydrophobicContact CE2-CB 4.05Å; F629-F631 AromaticContact CE2-CD1 3.52Å; F629-F631 HydrophobicContact CE2-CD1 3.52Å; F629-F631 HydrophobicContact CE2-CE1 4.27Å; F629-F631 HydrophobicContact CE2-CG 4.05Å; F631-C633 VanDerWaalsContact CE2-SG 3.5Å; F631-C633 PolarHBondContact O-N 2.8Å; F631-T640 HydrophobicContact CE2-CG2 4.05Å; F631-M643 HydrophobicContact CE1-CE 4.2Å; F631-M643 HydrophobicContact CE2-SD 4.5Å; F631-M643 HydrophobicContact CZ-CE 4.18Å; F631-M643 HydrophobicContact CZ-SD 4.01Å; F631-I663 HydrophobicContact CE1-CG2 4.21Å; F631-I663 HydrophobicContact CZ-CG2 3.93Å; F631-Y671 CarbonylContact O-C 3.53Å; F631-Y671 VanDerWaalsContact O-CA 3.24Å; F631-Y671 WeakPolarHBondContact O-CA 3.39Å; F631-C672 HydrophobicContact CD1-CB 4.18Å; F631-C672 HydrophobicContact CE1-CB 3.59Å; F631-C672 HydrophobicContact CE2-CB 3.97Å; F631-C672 HydrophobicContact CZ-CB 3.49Å; F631-C672 VanDerWaalsContact CZ-CB 3.49Å; F631-C672 PolarHBondContact N-O 3.32Å; F631-C672 PolarHBondContact O-N 2.96Å; F631-A674 HydrophobicContact CD1-CB 4.44Å; F631-A674 HydrophobicContact CE1-CB 4.03Å; F631-L703 HydrophobicContact CD2-CD1 4.35Å; F631-L703 HydrophobicContact CD2-CD2 3.94Å; F631-L703 HydrophobicContact CE2-CD2 4.1Å; F631-L703 HydrophobicContact CG-CD1 4.3Å; F631-T706 HydrophobicContact CB-CG2 4.39Å
632	S	83	Confident	76.8	Confident	26 Å²	26	42.1 Å²	42.1	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.6	-177.8	-170.5	0	0	0	0	111.4
633	C	74.7	Confident	76	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	22%	0.224	C	C	.	.			trans	-121	44.5	-173.3	-106.8	0	0	0	0	112.1	F631 T640 K665 S670 C672	F631-C633 VanDerWaalsContact CE2-SG 3.5Å; F631-C633 PolarHBondContact O-N 2.8Å; C633-T640 VanDerWaalsContact SG-CG2 3.59Å; C633-K665 PolarHBondContact O-NZ 3.42Å; C633-S670 WeakPolarHBondContact CA-O 3.34Å; C633-S670 WeakPolarHBondContact CB-O 3.41Å; C633-S670 PolarHBondContact N-O 3.36Å; C633-C672 HydrophobicContact CB-CB 3.9Å; C633-C672 WeakPolarHBondContact CB-SG 3.22Å; C633-C672 WeakPolarHBondContact SG-CB 3.26Å; C633-C672 CovalentContact SG-SG 2.02Å; C633-C672 PolarHBondContact SG-SG 3.37Å
634	Q	68	Low	75.1	Confident	139 Å²	139	37.4 Å²	37.4	65%	0.65	21%	0.206	S	C	*	.			trans	-61.6	138.5	176.9	-63.4	-173.9	22.2	0	0	110.9	G636 N637	Q634-G636 PolarHBondContact O-N 3.03Å; Q634-N637 PolarHBondContact O-N 3.35Å
635	N	58	Low	74.5	Confident	114 Å²	114	40.8 Å²	40.8	61%	0.61	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	107.1	-172	-62.5	-18.6	0	0	0	110.5	L582 K665	L582-N635 HydrophobicContact CD2-CB 4.03Å; L582-N635 VanDerWaalsContact CD2-CG 3.42Å; L582-N635 WeakPolarHBondContact CD2-OD1 3.47Å; N635-K665 PolarHBondContact OD1-NZ 3.48Å
636	G	57.6	Low	74.1	Confident	53 Å²	53	40.3 Å²	40.3	55%	0.546	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	122.3	-4	176.3	0	0	0	0	0	115.8	Q634 V638	Q634-G636 PolarHBondContact O-N 3.03Å; G636-V638 PolarHBondContact O-N 3.39Å
637	N	66.3	Low	73.2	Confident	60 Å²	60	41 Å²	41	32%	0.321	22%	0.219	S	C	.	.			trans	-63.1	108.8	171.6	-173.8	-15.3	0	0	0	110.1	Q634 N639 T640 L641	Q634-N637 PolarHBondContact O-N 3.35Å; N637-N639 PolarHBondContact O-N 2.92Å; N637-N639 WeakPolarHBondContact OD1-CB 3.25Å; N637-N639 PolarHBondContact OD1-N 3.44Å; N637-T640 WeakPolarHBondContact O-CB 3.4Å; N637-T640 PolarHBondContact O-N 2.78Å; N637-L641 WeakPolarHBondContact O-CG 3.49Å; N637-L641 PolarHBondContact O-N 2.81Å
638	V	67.5	Low	72	Confident	81 Å²	81	46.7 Å²	46.7	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-34.1	-178.5	177.8	0	0	0	0	111.2	G636 L641 H642	G636-V638 PolarHBondContact O-N 3.39Å; V638-L641 VanDerWaalsContact O-CB 3.31Å; V638-L641 WeakPolarHBondContact O-CB 3.39Å; V638-L641 PolarHBondContact O-N 2.85Å; V638-L641 VanDerWaalsContact O-N 3.16Å; V638-H642 PolarHBondContact O-CD2 2.97Å; V638-H642 PolarHBondContact O-N 3.49Å
639	N	72.4	Confident	70.7	Confident	43 Å²	43	49.4 Å²	49.4	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-71.4	-36.6	-176.7	-60.5	-7.4	0	0	0	111.5	N637 L641 H642 M643 Y701 E702	N637-N639 PolarHBondContact O-N 2.92Å; N637-N639 WeakPolarHBondContact OD1-CB 3.25Å; N637-N639 PolarHBondContact OD1-N 3.44Å; N639-L641 VanDerWaalsContact C-N 3.33Å; N639-L641 PolarHBondContact O-N 2.79Å; N639-H642 PolarHBondContact O-N 2.81Å; N639-M643 WeakPolarHBondContact O-CB 3.41Å; N639-M643 PolarHBondContact O-N 2.86Å; N639-Y701 WeakPolarHBondContact CB-O 3.36Å; N639-Y701 PolarHBondContact ND2-O 3.16Å; N639-E702 PolarHBondContact ND2-OE2 3.48Å
640	T	69.7	Low	69.3	Low	2 Å²	2	53.7 Å²	53.7	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-41.2	169.3	-50.6	0	0	0	0	111.6	F631 C633 N637 H642 M643 Q644	F631-T640 HydrophobicContact CE2-CG2 4.05Å; C633-T640 VanDerWaalsContact SG-CG2 3.59Å; N637-T640 WeakPolarHBondContact O-CB 3.4Å; N637-T640 PolarHBondContact O-N 2.78Å; T640-H642 VanDerWaalsContact C-N 3.35Å; T640-H642 PolarHBondContact O-N 2.92Å; T640-M643 PolarHBondContact O-N 2.84Å; T640-Q644 WeakPolarHBondContact O-CB 3.4Å; T640-Q644 WeakPolarHBondContact O-CG 3.43Å; T640-Q644 PolarHBondContact O-N 2.93Å; T640-Q644 PolarHBondContact O-OE1 3.33Å
641	L	64.5	Low	67.8	Low	38 Å²	38	59.1 Å²	59.1	20%	0.199	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-44.3	175.9	-52.9	-174.1	0	0	0	111.5	K583 S584 N637 V638 N639 R645	K583-L641 HydrophobicContact CB-CD1 3.9Å; K583-L641 HydrophobicContact CB-CD2 3.61Å; K583-L641 HydrophobicContact CB-CG 4.41Å; K583-L641 HydrophobicContact CD-CD1 4.14Å; K583-L641 WeakPolarHBondContact O-CD2 3.21Å; S584-L641 VanDerWaalsContact CB-CD2 3.43Å; S584-L641 VanDerWaalsContact N-CD2 3.26Å; N637-L641 WeakPolarHBondContact O-CG 3.49Å; N637-L641 PolarHBondContact O-N 2.81Å; V638-L641 VanDerWaalsContact O-CB 3.31Å; V638-L641 WeakPolarHBondContact O-CB 3.39Å; V638-L641 PolarHBondContact O-N 2.85Å; V638-L641 VanDerWaalsContact O-N 3.16Å; N639-L641 VanDerWaalsContact C-N 3.33Å; N639-L641 PolarHBondContact O-N 2.79Å; L641-R645 VanDerWaalsContact O-CB 3.32Å; L641-R645 WeakPolarHBondContact O-CB 3.46Å; L641-R645 PolarHBondContact O-N 2.03Å
642	H	72.2	Confident	66.6	Low	80 Å²	80	60.6 Å²	60.6	37%	0.37	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-44.2	177	-88.4	-106.8	0	0	0	111.5	V638 N639 T640 Q644 R645 D646 Y701	V638-H642 PolarHBondContact O-CD2 2.97Å; V638-H642 PolarHBondContact O-N 3.49Å; N639-H642 PolarHBondContact O-N 2.81Å; T640-H642 VanDerWaalsContact C-N 3.35Å; T640-H642 PolarHBondContact O-N 2.92Å; H642-Q644 VanDerWaalsContact C-N 3.35Å; H642-Q644 PolarHBondContact O-N 3.38Å; H642-R645 PolarHBondContact O-N 3.43Å; H642-D646 VanDerWaalsContact O-CB 3.31Å; H642-D646 WeakPolarHBondContact O-CB 3.1Å; H642-D646 PolarHBondContact O-N 3.47Å; H642-Y701 HydrophobicContact CB-CD1 4.21Å; H642-Y701 HydrophobicContact CB-CE1 4.17Å
643	M	73.1	Confident	65.6	Low	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-43.3	177	-172.1	-177.2	161.9	0	0	112.5	F631 N639 T640 A647 Y661 I663 A674 I697 Y701 L703	F631-M643 HydrophobicContact CE1-CE 4.2Å; F631-M643 HydrophobicContact CE2-SD 4.5Å; F631-M643 HydrophobicContact CZ-CE 4.18Å; F631-M643 HydrophobicContact CZ-SD 4.01Å; N639-M643 WeakPolarHBondContact O-CB 3.41Å; N639-M643 PolarHBondContact O-N 2.86Å; T640-M643 PolarHBondContact O-N 2.84Å; M643-A647 WeakPolarHBondContact O-CB 3.26Å; M643-A647 PolarHBondContact O-N 2.95Å; M643-A647 VanDerWaalsContact O-N 3.09Å; M643-Y661 HydrophobicContact CE-CD2 4.31Å; M643-Y661 HydrophobicContact CE-CE2 4.03Å; M643-Y661 HydrophobicContact CG-CE2 4.2Å; M643-Y661 PolarHBondContact O-OH 3.33Å; M643-Y661 VanDerWaalsContact O-OH 3.14Å; M643-I663 HydrophobicContact CB-CD1 4.3Å; M643-I663 HydrophobicContact CE-CD1 3.73Å; M643-I663 HydrophobicContact CE-CG1 3.88Å; M643-I663 HydrophobicContact CG-CD1 3.61Å; M643-I663 HydrophobicContact SD-CD1 4.13Å; M643-A674 HydrophobicContact CE-CB 3.9Å; M643-I697 HydrophobicContact CE-CG2 3.29Å; M643-I697 HydrophobicContact SD-CG2 3.9Å; M643-Y701 VanDerWaalsContact CA-CE1 3.49Å; M643-Y701 HydrophobicContact CB-CD1 3.74Å; M643-Y701 HydrophobicContact CB-CD2 3.65Å; M643-Y701 HydrophobicContact CB-CE1 3.99Å; M643-Y701 HydrophobicContact CB-CE2 3.91Å; M643-Y701 HydrophobicContact CB-CG 3.58Å; M643-Y701 HydrophobicContact CG-CD1 4.45Å; M643-Y701 HydrophobicContact CG-CD2 3.43Å; M643-Y701 VanDerWaalsContact CG-CD2 3.43Å; M643-Y701 HydrophobicContact CG-CE2 3.62Å; M643-Y701 HydrophobicContact CG-CG 3.91Å; M643-Y701 HydrophobicContact SD-CD2 3.99Å; M643-Y701 HydrophobicContact SD-CG 4.41Å; M643-L703 HydrophobicContact CE-CD1 4.34Å; M643-L703 HydrophobicContact SD-CD1 3.74Å; M643-L703 HydrophobicContact SD-CD2 4.32Å
644	Q	68	Low	65.2	Low	23 Å²	23	63.2 Å²	63.2	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-70.3	-38.7	176.3	-75.8	169.1	-40.9	0	0	112.5	S584 D585 T640 H642 F648 I663	S584-Q644 PolarHBondContact O-NE2 3Å; S584-Q644 PolarHBondContact O-OE1 3.37Å; D585-Q644 VanDerWaalsContact CB-NE2 3.29Å; T640-Q644 WeakPolarHBondContact O-CB 3.4Å; T640-Q644 WeakPolarHBondContact O-CG 3.43Å; T640-Q644 PolarHBondContact O-N 2.93Å; T640-Q644 PolarHBondContact O-OE1 3.33Å; H642-Q644 VanDerWaalsContact C-N 3.35Å; H642-Q644 PolarHBondContact O-N 3.38Å; Q644-F648 WeakPolarHBondContact O-CB 3.25Å; Q644-F648 PolarHBondContact O-N 2.96Å; Q644-I663 HydrophobicContact CB-CD1 4.35Å; Q644-I663 HydrophobicContact CG-CD1 3.68Å; Q644-I663 HydrophobicContact CG-CG2 4.46Å
645	R	69.3	Low	65.1	Low	114 Å²	114	60.5 Å²	60.5	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-69.1	-44.3	176.8	-169.1	-157.1	65.1	-177.7	-3.3	111.9	L641 H642 A647 F648 E649	L641-R645 VanDerWaalsContact O-CB 3.32Å; L641-R645 WeakPolarHBondContact O-CB 3.46Å; L641-R645 PolarHBondContact O-N 2.03Å; H642-R645 PolarHBondContact O-N 3.43Å; R645-A647 VanDerWaalsContact C-N 3.26Å; R645-A647 PolarHBondContact O-N 2.96Å; R645-F648 WeakPolarHBondContact O-CB 3.31Å; R645-F648 PolarHBondContact O-N 3.17Å; R645-F648 VanDerWaalsContact O-N 3.1Å; R645-E649 HydrophobicContact CG-CG 4.24Å; R645-E649 IonicContact NE-OE2 3.8Å; R645-E649 PolarHBondContact NE-OE2 3.02Å; R645-E649 WeakPolarHBondContact O-CB 3.37Å; R645-E649 WeakPolarHBondContact O-CG 3.46Å; R645-E649 PolarHBondContact O-N 3.14Å
646	D	71.6	Confident	65.3	Low	10 Å²	10	58.5 Å²	58.5	5%	0.053	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-31.6	179.3	-72.4	8.3	0	0	0	110.7	H642 R651 Y652 R700 Y701	H642-D646 VanDerWaalsContact O-CB 3.31Å; H642-D646 WeakPolarHBondContact O-CB 3.1Å; H642-D646 PolarHBondContact O-N 3.47Å; D646-R651 PolarHBondContact O-N 2.95Å; D646-R651 VanDerWaalsContact O-N 3.13Å; D646-Y652 PolarHBondContact O-N 2.82Å; D646-R700 IonicContact OD2-CZ 2.86Å; D646-R700 IonicContact OD2-NH2 3.76Å; D646-R700 PolarHBondContact OD2-NH2 3.35Å; D646-Y701 VanDerWaalsContact CB-OH 3.31Å; D646-Y701 WeakPolarHBondContact CB-OH 3.24Å; D646-Y701 PolarHBondContact OD2-OH 3.22Å
647	A	65.7	Low	65.3	Low	13 Å²	13	63.2 Å²	63.2	11%	0.107	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-54	164.3	0	0	0	0	0	111.5	T506 M643 R645 E649 S650 Y661 I663	T506-A647 WeakPolarHBondContact CG2-O 3.08Å; M643-A647 WeakPolarHBondContact O-CB 3.26Å; M643-A647 PolarHBondContact O-N 2.95Å; M643-A647 VanDerWaalsContact O-N 3.09Å; R645-A647 VanDerWaalsContact C-N 3.26Å; R645-A647 PolarHBondContact O-N 2.96Å; A647-E649 VanDerWaalsContact C-N 3.31Å; A647-E649 PolarHBondContact O-N 2.95Å; A647-S650 WeakPolarHBondContact O-CA 3.07Å; A647-S650 PolarHBondContact O-N 2.93Å; A647-Y661 HydrophobicContact CB-CE1 4.39Å; A647-Y661 HydrophobicContact CB-CE2 3.96Å; A647-Y661 PolarHBondContact N-OH 2.97Å; A647-I663 HydrophobicContact CB-CD1 4.24Å
648	F	60.7	Low	65.2	Low	120 Å²	120	61.5 Å²	61.5	53%	0.526	31%	0.31	S	S	.	.	H	α-helix	trans	-51.2	-47.1	-176.3	-173.9	-94.6	0	0	0	112.8	N504 T506 Q644 R645 S650	N504-F648 HydrophobicContact CB-CZ 4.08Å; N504-F648 WeakPolarHBondContact O-CE2 3.43Å; N504-F648 WeakPolarHBondContact O-CZ 3.46Å; T506-F648 WeakPolarHBondContact CG2-O 3.27Å; Q644-F648 WeakPolarHBondContact O-CB 3.25Å; Q644-F648 PolarHBondContact O-N 2.96Å; R645-F648 WeakPolarHBondContact O-CB 3.31Å; R645-F648 PolarHBondContact O-N 3.17Å; R645-F648 VanDerWaalsContact O-N 3.1Å; F648-S650 PolarHBondContact O-N 3.11Å
649	E	61.7	Low	65.2	Low	58 Å²	58	57.7 Å²	57.7	27%	0.271	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	5.7	-176.9	-60.8	176.5	121.9	0	0	112.8	R645 A647 R651	R645-E649 HydrophobicContact CG-CG 4.24Å; R645-E649 IonicContact NE-OE2 3.8Å; R645-E649 PolarHBondContact NE-OE2 3.02Å; R645-E649 WeakPolarHBondContact O-CB 3.37Å; R645-E649 WeakPolarHBondContact O-CG 3.46Å; R645-E649 PolarHBondContact O-N 3.14Å; A647-E649 VanDerWaalsContact C-N 3.31Å; A647-E649 PolarHBondContact O-N 2.95Å; E649-R651 HydrophobicContact CB-CB 4.41Å; E649-R651 HydrophobicContact CB-CG 3.75Å; E649-R651 WeakPolarHBondContact O-CG 3.43Å; E649-R651 PolarHBondContact O-N 3.39Å; E649-R651 IonicContact OE1-CZ 3.53Å; E649-R651 IonicContact OE1-NH1 3.97Å; E649-R651 PolarHBondContact OE1-NH1 3.44Å; E649-R651 IonicContact OE1-NH2 3.35Å; E649-R651 PolarHBondContact OE1-NH2 2.93Å; E649-R651 IonicContact OE2-CZ 2.85Å; E649-R651 IonicContact OE2-NE 3.24Å; E649-R651 IonicContact OE2-NH1 3.72Å; E649-R651 PolarHBondContact OE2-NH1 3.28Å; E649-R651 IonicContact OE2-NH2 2.79Å
650	S	58.6	Low	65.1	Low	98 Å²	98	59.8 Å²	59.8	69%	0.685	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	25.9	-170.3	64.5	0	0	0	0	114.3	A647 F648	A647-S650 WeakPolarHBondContact O-CA 3.07Å; A647-S650 PolarHBondContact O-N 2.93Å; F648-S650 PolarHBondContact O-N 3.11Å
651	R	56.7	Low	65.4	Low	166 Å²	166	60.3 Å²	60.3	63%	0.626	30%	0.296	S	S	*	.			trans	-82	-16.1	-174.1	-74	-176.9	-169.4	148.8	20.4	113.5	D646 E649	D646-R651 PolarHBondContact O-N 2.95Å; D646-R651 VanDerWaalsContact O-N 3.13Å; E649-R651 HydrophobicContact CB-CB 4.41Å; E649-R651 HydrophobicContact CB-CG 3.75Å; E649-R651 WeakPolarHBondContact O-CG 3.43Å; E649-R651 PolarHBondContact O-N 3.39Å; E649-R651 IonicContact OE1-CZ 3.53Å; E649-R651 IonicContact OE1-NH1 3.97Å; E649-R651 PolarHBondContact OE1-NH1 3.44Å; E649-R651 IonicContact OE1-NH2 3.35Å; E649-R651 PolarHBondContact OE1-NH2 2.93Å; E649-R651 IonicContact OE2-CZ 2.85Å; E649-R651 IonicContact OE2-NE 3.24Å; E649-R651 IonicContact OE2-NH1 3.72Å; E649-R651 PolarHBondContact OE2-NH1 3.28Å; E649-R651 IonicContact OE2-NH2 2.79Å
652	Y	59.5	Low	66	Low	33 Å²	33	58.9 Å²	58.9	13%	0.129	29%	0.291	C	S	.	.			trans	-107.3	101.1	-178.3	-162.9	-86.9	0	0	0	112.5	D646 C654 Y661 H696	D646-Y652 PolarHBondContact O-N 2.82Å; Y652-C654 HydrophobicContact CE1-CB 4.43Å; Y652-Y661 HydrophobicContact CD1-CD1 4.38Å; Y652-Y661 AromaticContact CD1-CE1 3.63Å; Y652-Y661 HydrophobicContact CD1-CE1 3.63Å; Y652-Y661 HydrophobicContact CG-CE1 4.23Å; Y652-H696 AromaticContact CE2-NE2 3.96Å; Y652-H696 AromaticContact CZ-CD2 3.58Å; Y652-H696 AromaticContact CZ-NE2 3.74Å; Y652-H696 PolarHBondContact OH-CD2 3.28Å; Y652-H696 PolarHBondContact OH-NE2 2.71Å
653	L	61.2	Low	66.3	Low	79 Å²	79	56.1 Å²	56.1	41%	0.414	28%	0.278	S	S	.	.			trans	-87.3	133.6	158.8	-72.3	155.2	0	0	0	107.6
654	C	67.9	Low	66.6	Low	3 Å²	3	56.2 Å²	56.2	2%	0.02	28%	0.279	C	S	.	.			trans	-60.5	155.2	167.2	-85.1	0	0	0	0	110.6	Y652 D656 E657 F659 C693	Y652-C654 HydrophobicContact CE1-CB 4.43Å; C654-D656 PolarHBondContact O-N 2.84Å; C654-E657 PolarHBondContact O-N 2.9Å; C654-F659 HydrophobicContact CB-CB 4.22Å; C654-C693 HydrophobicContact CB-CB 3.63Å; C654-C693 WeakPolarHBondContact CB-SG 3.31Å; C654-C693 WeakPolarHBondContact SG-CA 3.44Å; C654-C693 WeakPolarHBondContact SG-CB 3.4Å; C654-C693 CovalentContact SG-SG 2.03Å; C654-C693 PolarHBondContact SG-SG 2.83Å
655	P	65	Low	67.2	Low	82 Å²	82	55.7 Å²	55.7	53%	0.532	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.7	-166	-28.9	36.4	0	0	0	116.3
656	D	61.4	Low	67.9	Low	73 Å²	73	51.3 Å²	51.3	39%	0.39	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13.2	-179.8	-60.4	-35.7	0	0	0	113.8	C654 A658 A689 R692	C654-D656 PolarHBondContact O-N 2.84Å; D656-A658 PolarHBondContact O-N 3.47Å; D656-A689 WeakPolarHBondContact OD2-CB 3.49Å; D656-R692 IonicContact OD1-NE 3.72Å; D656-R692 IonicContact OD1-NH2 2.74Å; D656-R692 IonicContact OD2-CZ 2.65Å; D656-R692 VanDerWaalsContact OD2-CZ 3.24Å; D656-R692 IonicContact OD2-NE 2.66Å; D656-R692 PolarHBondContact OD2-NE 3.27Å; D656-R692 IonicContact OD2-NH2 3.02Å; D656-R692 PolarHBondContact OD2-NH2 3.01Å
657	E	59.3	Low	68.2	Low	152 Å²	152	55.9 Å²	55.9	71%	0.71	28%	0.278	S	S	*	.	S	Bend	trans	52.9	-10	-179.1	-71.1	-164.7	164.4	0	0	118.2	C654	C654-E657 PolarHBondContact O-N 2.9Å
658	A	63.9	Low	68.8	Low	24 Å²	24	62.6 Å²	62.6	20%	0.198	31%	0.312	C	S	.	.	S	Bend	trans	-98.1	3.1	-169.5	0	0	0	0	0	115.8	D656 Q679 K680	D656-A658 PolarHBondContact O-N 3.47Å; A658-Q679 PolarHBondContact O-N 3.37Å; A658-K680 HydrophobicContact CB-CG 4.07Å
659	F	66.9	Low	69.7	Low	1 Å²	1	59.1 Å²	59.1	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.3	-171.4	-68.3	-97.6	0	0	0	111.6	C654 V676 W678 F685 D686 A689 A690	C654-F659 HydrophobicContact CB-CB 4.22Å; F659-V676 HydrophobicContact CB-CG1 4.18Å; F659-V676 HydrophobicContact CD1-CG1 3.46Å; F659-V676 VanDerWaalsContact CD1-CG1 3.46Å; F659-V676 HydrophobicContact CE1-CG1 4.21Å; F659-V676 HydrophobicContact CG-CG1 4.2Å; F659-W678 HydrophobicContact CD1-CB 3.76Å; F659-W678 AromaticContact CD1-CD1 3.68Å; F659-W678 HydrophobicContact CD1-CG 4.08Å; F659-W678 HydrophobicContact CE1-CB 3.53Å; F659-W678 AromaticContact CE1-CD1 3.16Å; F659-W678 AromaticContact CE1-CG 3.55Å; F659-W678 HydrophobicContact CE1-CG 3.55Å; F659-W678 AromaticContact CE2-CD1 3.49Å; F659-W678 VanDerWaalsContact CE2-CD1 3.49Å; F659-W678 AromaticContact CE2-NE1 3.94Å; F659-W678 HydrophobicContact CZ-CB 4.31Å; F659-W678 AromaticContact CZ-CD1 3.05Å; F659-W678 AromaticContact CZ-CG 3.84Å; F659-W678 HydrophobicContact CZ-CG 3.84Å; F659-W678 AromaticContact CZ-NE1 3.62Å; F659-F685 HydrophobicContact CE1-CE2 4.41Å; F659-D686 HydrophobicContact CZ-CB 4.34Å; F659-A689 HydrophobicContact CD2-CB 4.28Å; F659-A689 HydrophobicContact CE2-CB 3.26Å; F659-A689 HydrophobicContact CZ-CB 3.51Å; F659-A690 HydrophobicContact CD1-CB 4.46Å; F659-A690 HydrophobicContact CE1-CB 3.69Å; F659-A690 HydrophobicContact CZ-CB 4.23Å
660	H	69.7	Low	70.5	Confident	87 Å²	87	59.4 Å²	59.4	40%	0.403	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	151.8	165.2	-67.7	-100.1	0	0	0	109.1	P508 A677	P508-H660 HydrophobicContact CG-CB 4.31Å; H660-A677 PolarHBondContact N-O 3.39Å; H660-A677 PolarHBondContact O-N 2.93Å; H660-A677 VanDerWaalsContact O-N 3.1Å
661	Y	77.3	Confident	71.7	Confident	12 Å²	12	58.6 Å²	58.6	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.3	176.6	71.4	-70.6	0	0	0	111	M643 A647 Y652 I663 V675 I697	M643-Y661 HydrophobicContact CE-CD2 4.31Å; M643-Y661 HydrophobicContact CE-CE2 4.03Å; M643-Y661 HydrophobicContact CG-CE2 4.2Å; M643-Y661 PolarHBondContact O-OH 3.33Å; M643-Y661 VanDerWaalsContact O-OH 3.14Å; A647-Y661 HydrophobicContact CB-CE1 4.39Å; A647-Y661 HydrophobicContact CB-CE2 3.96Å; A647-Y661 PolarHBondContact N-OH 2.97Å; Y652-Y661 HydrophobicContact CD1-CD1 4.38Å; Y652-Y661 AromaticContact CD1-CE1 3.63Å; Y652-Y661 HydrophobicContact CD1-CE1 3.63Å; Y652-Y661 HydrophobicContact CG-CE1 4.23Å; Y661-I663 HydrophobicContact CD2-CD1 4.46Å; Y661-I663 HydrophobicContact CD2-CG1 3.99Å; Y661-I663 HydrophobicContact CE2-CD1 3.88Å; Y661-I663 HydrophobicContact CE2-CG1 3.92Å; Y661-V675 CarbonylContact C-O 3.59Å; Y661-V675 WeakPolarHBondContact CA-O 3.17Å; Y661-I697 HydrophobicContact CD1-CD1 4.18Å; Y661-I697 HydrophobicContact CD2-CD1 3.89Å; Y661-I697 HydrophobicContact CE2-CD1 4.36Å; Y661-I697 HydrophobicContact CG-CD1 3.79Å
662	A	76.9	Confident	73.1	Confident	9 Å²	9	50.7 Å²	50.7	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.3	167.6	0	0	0	0	0	109.4	P508 L510 V675	P508-A662 HydrophobicContact CG-CB 4.27Å; P508-A662 WeakPolarHBondContact O-CB 2.9Å; L510-A662 HydrophobicContact CD2-CB 4.48Å; A662-V675 HydrophobicContact CB-CB 4.43Å; A662-V675 PolarHBondContact N-O 2.84Å; A662-V675 PolarHBondContact O-N 2.9Å
663	I	78.1	Confident	74.3	Confident	21 Å²	21	49.5 Å²	49.5	11%	0.108	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.1	171.7	-42.3	171.2	0	0	0	106.2	F631 M643 Q644 A647 Y661 C672 Q673	F631-I663 HydrophobicContact CE1-CG2 4.21Å; F631-I663 HydrophobicContact CZ-CG2 3.93Å; M643-I663 HydrophobicContact CB-CD1 4.3Å; M643-I663 HydrophobicContact CE-CD1 3.73Å; M643-I663 HydrophobicContact CE-CG1 3.88Å; M643-I663 HydrophobicContact CG-CD1 3.61Å; M643-I663 HydrophobicContact SD-CD1 4.13Å; Q644-I663 HydrophobicContact CB-CD1 4.35Å; Q644-I663 HydrophobicContact CG-CD1 3.68Å; Q644-I663 HydrophobicContact CG-CG2 4.46Å; A647-I663 HydrophobicContact CB-CD1 4.24Å; Y661-I663 HydrophobicContact CD2-CD1 4.46Å; Y661-I663 HydrophobicContact CD2-CG1 3.99Å; Y661-I663 HydrophobicContact CE2-CD1 3.88Å; Y661-I663 HydrophobicContact CE2-CG1 3.92Å; I663-C672 HydrophobicContact CG2-CB 4.28Å; I663-Q673 WeakPolarHBondContact CA-O 3.43Å
664	T	80.2	Confident	75.5	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142	172.5	-170.6	0	0	0	0	110.6	L510 C672 Q673	L510-T664 VanDerWaalsContact CD1-CB 3.47Å; L510-T664 HydrophobicContact CD1-CG2 3.36Å; T664-C672 CarbonylContact O-C 3.54Å; T664-C672 VanDerWaalsContact O-CA 3.23Å; T664-C672 WeakPolarHBondContact O-CA 3.26Å; T664-C672 WeakPolarHBondContact O-CB 3.19Å; T664-Q673 HydrophobicContact CG2-CB 4.09Å; T664-Q673 PolarHBondContact N-O 2.74Å; T664-Q673 PolarHBondContact O-N 2.74Å
665	K	80.2	Confident	76.4	Confident	11 Å²	11	45.8 Å²	45.8	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.8	174.6	-172.7	163.3	-179.3	155.8	0	108.8	P587 C633 N635 Y667	P587-K665 HydrophobicContact CB-CG 4.23Å; C633-K665 PolarHBondContact O-NZ 3.42Å; N635-K665 PolarHBondContact OD1-NZ 3.48Å; K665-Y667 PolarHBondContact O-N 2.86Å
666	I	82.8	Confident	77.3	Confident	22 Å²	22	41.9 Å²	41.9	11%	0.113	22%	0.215	C	C	.	.			trans	-63	126.4	-174	-61.8	172.3	0	0	0	109	V618 K630 N668 S669 Y671 Q673	V618-I666 HydrophobicContact CB-CG1 4.44Å; V618-I666 HydrophobicContact CG1-CG1 4.43Å; V618-I666 HydrophobicContact CG1-CG2 4.35Å; V618-I666 HydrophobicContact CG2-CD1 4.34Å; V618-I666 HydrophobicContact CG2-CG1 4.37Å; K630-I666 HydrophobicContact CD-CD1 3.74Å; K630-I666 HydrophobicContact CG-CD1 4.08Å; I666-N668 PolarHBondContact O-N 3.29Å; I666-S669 WeakPolarHBondContact O-CB 3.04Å; I666-S669 PolarHBondContact O-N 2.95Å; I666-S669 VanDerWaalsContact O-N 3.16Å; I666-Y671 WeakPolarHBondContact CB-O 3.35Å; I666-Y671 PolarHBondContact N-O 3.05Å; I666-Y671 VanDerWaalsContact N-O 3.11Å; I666-Q673 HydrophobicContact CD1-CB 4.23Å; I666-Q673 HydrophobicContact CG1-CB 4.29Å
667	Y	78.4	Confident	77.9	Confident	106 Å²	106	39.7 Å²	39.7	42%	0.416	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	137.3	-179.7	-178.9	-103	0	0	0	112	P587 E589 S591 A592 K665 S669	P587-Y667 HydrophobicContact CB-CD2 4.4Å; E589-Y667 HydrophobicContact CB-CD2 3.94Å; E589-Y667 HydrophobicContact CB-CE2 3.58Å; S591-Y667 WeakPolarHBondContact OG-CB 3.27Å; A592-Y667 HydrophobicContact CB-CD1 4.09Å; A592-Y667 HydrophobicContact CB-CE1 4.24Å; K665-Y667 PolarHBondContact O-N 2.86Å; Y667-S669 PolarHBondContact O-N 3.39Å
668	N	78.6	Confident	78.3	Confident	154 Å²	154	34.6 Å²	34.6	82%	0.824	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	31.2	-175.4	-158	33.2	0	0	0	114.5	I666	I666-N668 PolarHBondContact O-N 3.29Å
669	S	79.6	Confident	77.9	Confident	47 Å²	47	41.1 Å²	41.1	33%	0.329	21%	0.208	S	C	.	.	S	Bend	trans	-131.5	154.3	177	-166	0	0	0	0	111.9	I666 Y667 Y671	I666-S669 WeakPolarHBondContact O-CB 3.04Å; I666-S669 PolarHBondContact O-N 2.95Å; I666-S669 VanDerWaalsContact O-N 3.16Å; Y667-S669 PolarHBondContact O-N 3.39Å; S669-Y671 PolarHBondContact OG-N 3.34Å
670	S	78.8	Confident	77.4	Confident	65 Å²	65	44.9 Å²	44.9	46%	0.455	22%	0.224	S	C	.	.	S	Bend	trans	-79.2	-6.1	168	55.1	0	0	0	0	113.2	C633	C633-S670 WeakPolarHBondContact CA-O 3.34Å; C633-S670 WeakPolarHBondContact CB-O 3.41Å; C633-S670 PolarHBondContact N-O 3.36Å
671	Y	83.8	Confident	76.6	Confident	80 Å²	80	50.5 Å²	50.5	31%	0.314	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.5	-174.4	-66.8	-94.6	0	0	0	112.5	K630 F631 I666 S669	K630-Y671 HydrophobicContact CB-CD1 4.39Å; F631-Y671 CarbonylContact O-C 3.53Å; F631-Y671 VanDerWaalsContact O-CA 3.24Å; F631-Y671 WeakPolarHBondContact O-CA 3.39Å; I666-Y671 WeakPolarHBondContact CB-O 3.35Å; I666-Y671 PolarHBondContact N-O 3.05Å; I666-Y671 VanDerWaalsContact N-O 3.11Å; S669-Y671 PolarHBondContact OG-N 3.34Å
672	C	84.6	Confident	75.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	161.5	159.2	-66.8	0	0	0	0	110.3	K630 F631 C633 I663 T664	K630-C672 CarbonylContact C-O 3.48Å; K630-C672 WeakPolarHBondContact CA-O 3.06Å; F631-C672 HydrophobicContact CD1-CB 4.18Å; F631-C672 HydrophobicContact CE1-CB 3.59Å; F631-C672 HydrophobicContact CE2-CB 3.97Å; F631-C672 HydrophobicContact CZ-CB 3.49Å; F631-C672 VanDerWaalsContact CZ-CB 3.49Å; F631-C672 PolarHBondContact N-O 3.32Å; F631-C672 PolarHBondContact O-N 2.96Å; C633-C672 HydrophobicContact CB-CB 3.9Å; C633-C672 WeakPolarHBondContact CB-SG 3.22Å; C633-C672 WeakPolarHBondContact SG-CB 3.26Å; C633-C672 CovalentContact SG-SG 2.02Å; C633-C672 PolarHBondContact SG-SG 3.37Å; I663-C672 HydrophobicContact CG2-CB 4.28Å; T664-C672 CarbonylContact O-C 3.54Å; T664-C672 VanDerWaalsContact O-CA 3.23Å; T664-C672 WeakPolarHBondContact O-CA 3.26Å; T664-C672 WeakPolarHBondContact O-CB 3.19Å
673	Q	86.2	Confident	75	Confident	9 Å²	9	54.6 Å²	54.6	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.7	167.7	-170.8	172.1	18.9	0	0	109.5	T628 K630 I663 T664 I666 V675	T628-Q673 WeakPolarHBondContact OG1-CG 3.43Å; T628-Q673 PolarHBondContact OG1-NE2 3.06Å; K630-Q673 HydrophobicContact CG-CB 4.47Å; K630-Q673 HydrophobicContact CG-CG 4.47Å; I663-Q673 WeakPolarHBondContact CA-O 3.43Å; T664-Q673 HydrophobicContact CG2-CB 4.09Å; T664-Q673 PolarHBondContact N-O 2.74Å; T664-Q673 PolarHBondContact O-N 2.74Å; I666-Q673 HydrophobicContact CD1-CB 4.23Å; I666-Q673 HydrophobicContact CG1-CB 4.29Å; Q673-V675 HydrophobicContact CG-CG2 3.79Å
674	A	86	Confident	74.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.3	164.6	0	0	0	0	0	108.6	T628 F629 F631 M643	T628-A674 WeakPolarHBondContact CA-O 3.44Å; T628-A674 VanDerWaalsContact CB-O 3.25Å; T628-A674 WeakPolarHBondContact CB-O 3.37Å; T628-A674 PolarHBondContact OG1-O 2.71Å; F629-A674 HydrophobicContact CD2-CB 4.31Å; F629-A674 HydrophobicContact CE1-CB 4.23Å; F629-A674 HydrophobicContact CE2-CB 3.91Å; F629-A674 HydrophobicContact CZ-CB 3.85Å; F629-A674 PolarHBondContact N-O 3.34Å; F629-A674 PolarHBondContact O-N 3.28Å; F631-A674 HydrophobicContact CD1-CB 4.44Å; F631-A674 HydrophobicContact CE1-CB 4.03Å; M643-A674 HydrophobicContact CE-CB 3.9Å
675	V	86.5	Confident	74.1	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	112.7	-175.8	-179	0	0	0	0	109.2	P617 F624 Y661 A662 Q673	P617-V675 HydrophobicContact CB-CG1 4.33Å; P617-V675 HydrophobicContact CB-CG2 3.71Å; P617-V675 HydrophobicContact CG-CG1 4.04Å; P617-V675 HydrophobicContact CG-CG2 4.24Å; F624-V675 HydrophobicContact CE2-CG1 4.32Å; F624-V675 HydrophobicContact CZ-CG1 3.62Å; Y661-V675 CarbonylContact C-O 3.59Å; Y661-V675 WeakPolarHBondContact CA-O 3.17Å; A662-V675 HydrophobicContact CB-CB 4.43Å; A662-V675 PolarHBondContact N-O 2.84Å; A662-V675 PolarHBondContact O-N 2.9Å; Q673-V675 HydrophobicContact CG-CG2 3.79Å
676	V	83.7	Confident	74	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.1	174.2	170.3	0	0	0	0	108.8	G626 A627 F659 A690 C693 L694 I697	G626-V676 WeakPolarHBondContact CA-O 3.25Å; A627-V676 HydrophobicContact CB-CB 4.44Å; A627-V676 PolarHBondContact N-O 3.2Å; A627-V676 PolarHBondContact O-N 2.91Å; F659-V676 HydrophobicContact CB-CG1 4.18Å; F659-V676 HydrophobicContact CD1-CG1 3.46Å; F659-V676 VanDerWaalsContact CD1-CG1 3.46Å; F659-V676 HydrophobicContact CE1-CG1 4.21Å; F659-V676 HydrophobicContact CG-CG1 4.2Å; V676-A690 HydrophobicContact CG1-CB 4.41Å; V676-C693 HydrophobicContact CG1-CB 4.29Å; V676-C693 HydrophobicContact CG2-CB 4.43Å; V676-L694 HydrophobicContact CB-CD2 4.15Å; V676-L694 HydrophobicContact CG2-CD2 3.4Å; V676-L694 HydrophobicContact CG2-CG 4.03Å; V676-I697 HydrophobicContact CG2-CD1 4.1Å
677	A	74.1	Confident	73.9	Confident	27 Å²	27	60 Å²	60	22%	0.223	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.2	174.4	0	0	0	0	0	109.7	F624 H660	F624-A677 HydrophobicContact CE2-CB 4.11Å; H660-A677 PolarHBondContact N-O 3.39Å; H660-A677 PolarHBondContact O-N 2.93Å; H660-A677 VanDerWaalsContact O-N 3.1Å
678	W	67.1	Low	73.9	Confident	45 Å²	45	58.5 Å²	58.5	17%	0.17	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.1	-159.6	172.1	71	0	0	0	113.2	F659 K680 D682 G683 H684 F685	F659-W678 HydrophobicContact CD1-CB 3.76Å; F659-W678 AromaticContact CD1-CD1 3.68Å; F659-W678 HydrophobicContact CD1-CG 4.08Å; F659-W678 HydrophobicContact CE1-CB 3.53Å; F659-W678 AromaticContact CE1-CD1 3.16Å; F659-W678 AromaticContact CE1-CG 3.55Å; F659-W678 HydrophobicContact CE1-CG 3.55Å; F659-W678 AromaticContact CE2-CD1 3.49Å; F659-W678 VanDerWaalsContact CE2-CD1 3.49Å; F659-W678 AromaticContact CE2-NE1 3.94Å; F659-W678 HydrophobicContact CZ-CB 4.31Å; F659-W678 AromaticContact CZ-CD1 3.05Å; F659-W678 AromaticContact CZ-CG 3.84Å; F659-W678 HydrophobicContact CZ-CG 3.84Å; F659-W678 AromaticContact CZ-NE1 3.62Å; W678-K680 HydrophobicContact CH2-CB 3.97Å; W678-K680 HydrophobicContact CZ2-CB 3.3Å; W678-K680 HydrophobicContact CZ2-CD 3.66Å; W678-K680 HydrophobicContact CZ2-CG 3.63Å; W678-D682 WeakPolarHBondContact CH2-OD1 3.48Å; W678-G683 VanDerWaalsContact CH2-C 3.42Å; W678-H684 WeakPolarHBondContact CH2-O 3.11Å; W678-H684 WeakPolarHBondContact CZ2-O 3.21Å; W678-F685 HydrophobicContact CB-CD2 4.01Å; W678-F685 HydrophobicContact CB-CE2 4.12Å; W678-F685 HydrophobicContact CD2-CD2 4.15Å; W678-F685 HydrophobicContact CE3-CB 4.24Å; W678-F685 HydrophobicContact CE3-CD2 4.16Å; W678-F685 HydrophobicContact CG-CD2 4.15Å; W678-F685 HydrophobicContact CZ3-CB 4.43Å
679	Q	56.2	Low	73.9	Confident	161 Å²	161	51.2 Å²	51.2	75%	0.752	27%	0.273	S	S	*	.			trans	-148.1	63.1	-177.6	-162	178.9	14.9	0	0	112.9	A658	A658-Q679 PolarHBondContact O-N 3.37Å
680	K	56.2	Low	74	Confident	80 Å²	80	49 Å²	49	35%	0.348	26%	0.258	S	S	.	.			trans	-79	151.9	155.5	-59.3	165.2	174.9	169.6	0	109.2	A658 W678 D682 G683 D686	A658-K680 HydrophobicContact CB-CG 4.07Å; W678-K680 HydrophobicContact CH2-CB 3.97Å; W678-K680 HydrophobicContact CZ2-CB 3.3Å; W678-K680 HydrophobicContact CZ2-CD 3.66Å; W678-K680 HydrophobicContact CZ2-CG 3.63Å; K680-D682 VanDerWaalsContact C-N 3.25Å; K680-D682 PolarHBondContact O-N 2.81Å; K680-G683 PolarHBondContact O-N 3.41Å; K680-D686 IonicContact NZ-OD2 2.84Å; K680-D686 PolarHBondContact NZ-OD2 3.26Å
681	M	54.2	Low	74.2	Confident	205 Å²	205	49 Å²	49	100%	1.01	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.7	-173.1	-65.7	-98.8	-72.1	0	0	114.8
682	D	58.8	Low	74.1	Confident	89 Å²	89	50.6 Å²	50.6	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-22.5	-179.9	51.2	27.7	0	0	0	113.3	R610 W678 K680 H684	R610-D682 PolarHBondContact NH1-O 2.92Å; R610-D682 VanDerWaalsContact NH1-O 3.07Å; W678-D682 WeakPolarHBondContact CH2-OD1 3.48Å; K680-D682 VanDerWaalsContact C-N 3.25Å; K680-D682 PolarHBondContact O-N 2.81Å; D682-H684 VanDerWaalsContact C-N 3.34Å; D682-H684 PolarHBondContact OD1-N 3.1Å; D682-H684 VanDerWaalsContact OD1-N 3.11Å
683	G	60	Low	74	Confident	18 Å²	18	50.7 Å²	50.7	19%	0.186	26%	0.258	C	S	.	.			trans	71.2	18.5	-176.1	0	0	0	0	0	115.2	R610 W678 K680	R610-G683 WeakPolarHBondContact CD-O 3.34Å; R610-G683 PolarHBondContact NH1-O 2.95Å; W678-G683 VanDerWaalsContact CH2-C 3.42Å; K680-G683 PolarHBondContact O-N 3.41Å
684	H	65.6	Low	73.9	Confident	119 Å²	119	50.4 Å²	50.4	55%	0.551	26%	0.257	S	S	*	.			trans	-93.1	103.6	166.8	-76.3	-89.3	0	0	0	112.9	W678 D682 D686	W678-H684 WeakPolarHBondContact CH2-O 3.11Å; W678-H684 WeakPolarHBondContact CZ2-O 3.21Å; D682-H684 VanDerWaalsContact C-N 3.34Å; D682-H684 PolarHBondContact OD1-N 3.1Å; D682-H684 VanDerWaalsContact OD1-N 3.11Å; H684-D686 PolarHBondContact O-N 2.9Å; H684-D686 VanDerWaalsContact O-N 3.13Å
685	F	74.8	Confident	73.8	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.018	28%	0.281	C	S	.	.			trans	-60.5	111.4	-175.5	173.1	-100.4	0	0	0	113.6	C625 G626 F659 W678 A687 A690 S712 E714	C625-F685 HydrophobicContact CB-CB 3.68Å; C625-F685 HydrophobicContact CB-CD1 4.16Å; C625-F685 HydrophobicContact CB-CD2 3.9Å; C625-F685 HydrophobicContact CB-CG 3.6Å; C625-F685 WeakPolarHBondContact O-CD2 3.25Å; G626-F685 VanDerWaalsContact C-CZ 3.45Å; G626-F685 WeakPolarHBondContact O-CZ 3.44Å; F659-F685 HydrophobicContact CE1-CE2 4.41Å; W678-F685 HydrophobicContact CB-CD2 4.01Å; W678-F685 HydrophobicContact CB-CE2 4.12Å; W678-F685 HydrophobicContact CD2-CD2 4.15Å; W678-F685 HydrophobicContact CE3-CB 4.24Å; W678-F685 HydrophobicContact CE3-CD2 4.16Å; W678-F685 HydrophobicContact CG-CD2 4.15Å; W678-F685 HydrophobicContact CZ3-CB 4.43Å; F685-A687 HydrophobicContact CD1-CB 4.34Å; F685-A687 VanDerWaalsContact CE1-CA 3.49Å; F685-A687 HydrophobicContact CE1-CB 3.83Å; F685-A687 PolarHBondContact O-N 3.49Å; F685-A690 HydrophobicContact CE1-CB 4.5Å; F685-A690 HydrophobicContact CE2-CB 3.93Å; F685-A690 HydrophobicContact CZ-CB 3.49Å; F685-A690 VanDerWaalsContact CZ-CB 3.49Å; F685-S712 VanDerWaalsContact CE1-O 3.32Å; F685-S712 WeakPolarHBondContact CE1-O 3.17Å; F685-E714 WeakPolarHBondContact O-CG 3.43Å
686	D	78.4	Confident	73.7	Confident	27 Å²	27	59.5 Å²	59.5	14%	0.144	29%	0.294	C	S	.	.			trans	-81.2	96.2	179.1	-176.4	-21.7	0	0	0	111.4	F659 K680 H684 S688 A689 A690	F659-D686 HydrophobicContact CZ-CB 4.34Å; K680-D686 IonicContact NZ-OD2 2.84Å; K680-D686 PolarHBondContact NZ-OD2 3.26Å; H684-D686 PolarHBondContact O-N 2.9Å; H684-D686 VanDerWaalsContact O-N 3.13Å; D686-S688 VanDerWaalsContact C-N 3.26Å; D686-S688 PolarHBondContact O-N 2.85Å; D686-S688 PolarHBondContact OD1-N 2.91Å; D686-S688 VanDerWaalsContact OD1-N 3.16Å; D686-A689 HydrophobicContact CB-CB 4.12Å; D686-A689 VanDerWaalsContact CG-CB 3.42Å; D686-A689 PolarHBondContact O-N 3.24Å; D686-A689 WeakPolarHBondContact OD1-CB 3.4Å; D686-A689 PolarHBondContact OD1-N 3.34Å; D686-A689 WeakPolarHBondContact OD2-CB 3.36Å; D686-A690 PolarHBondContact O-N 3.1Å; D686-A690 VanDerWaalsContact O-N 3.1Å
687	A	79.6	Confident	73.6	Confident	21 Å²	21	59.5 Å²	59.5	17%	0.174	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-32.3	-178.9	0	0	0	0	0	112.9	F685 L691 V711 S712	F685-A687 HydrophobicContact CD1-CB 4.34Å; F685-A687 VanDerWaalsContact CE1-CA 3.49Å; F685-A687 HydrophobicContact CE1-CB 3.83Å; F685-A687 PolarHBondContact O-N 3.49Å; A687-L691 WeakPolarHBondContact O-CB 3.23Å; A687-L691 PolarHBondContact O-N 2.63Å; A687-V711 HydrophobicContact CB-CG1 4.32Å; A687-S712 WeakPolarHBondContact CB-O 2.95Å
688	S	78.8	Confident	74.1	Confident	75 Å²	75	60.5 Å²	60.5	52%	0.524	29%	0.293	S	S	.	.	H	α-helix	trans	-72.1	-42.8	-177.9	-69.3	0	0	0	0	111.4	D686 L691 R692	D686-S688 VanDerWaalsContact C-N 3.26Å; D686-S688 PolarHBondContact O-N 2.85Å; D686-S688 PolarHBondContact OD1-N 2.91Å; D686-S688 VanDerWaalsContact OD1-N 3.16Å; S688-L691 PolarHBondContact O-N 2.71Å; S688-R692 WeakPolarHBondContact O-CG 3Å; S688-R692 PolarHBondContact O-N 2.65Å
689	A	79.9	Confident	74.9	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-36.6	175.1	0	0	0	0	0	112.2	D656 F659 D686 L691 R692 C693	D656-A689 WeakPolarHBondContact OD2-CB 3.49Å; F659-A689 HydrophobicContact CD2-CB 4.28Å; F659-A689 HydrophobicContact CE2-CB 3.26Å; F659-A689 HydrophobicContact CZ-CB 3.51Å; D686-A689 HydrophobicContact CB-CB 4.12Å; D686-A689 VanDerWaalsContact CG-CB 3.42Å; D686-A689 PolarHBondContact O-N 3.24Å; D686-A689 WeakPolarHBondContact OD1-CB 3.4Å; D686-A689 PolarHBondContact OD1-N 3.34Å; D686-A689 WeakPolarHBondContact OD2-CB 3.36Å; A689-L691 PolarHBondContact O-N 3.13Å; A689-R692 VanDerWaalsContact CB-NH2 3.31Å; A689-R692 PolarHBondContact O-N 2.89Å; A689-C693 VanDerWaalsContact O-CB 3.32Å; A689-C693 WeakPolarHBondContact O-CB 3.01Å; A689-C693 PolarHBondContact O-N 2.84Å
690	A	80.6	Confident	76.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-41.7	172.9	0	0	0	0	0	112.1	A627 F659 V676 F685 D686 C693 L694	A627-A690 HydrophobicContact CB-CB 3.84Å; F659-A690 HydrophobicContact CD1-CB 4.46Å; F659-A690 HydrophobicContact CE1-CB 3.69Å; F659-A690 HydrophobicContact CZ-CB 4.23Å; V676-A690 HydrophobicContact CG1-CB 4.41Å; F685-A690 HydrophobicContact CE1-CB 4.5Å; F685-A690 HydrophobicContact CE2-CB 3.93Å; F685-A690 HydrophobicContact CZ-CB 3.49Å; F685-A690 VanDerWaalsContact CZ-CB 3.49Å; D686-A690 PolarHBondContact O-N 3.1Å; D686-A690 VanDerWaalsContact O-N 3.1Å; A690-C693 WeakPolarHBondContact O-CB 3.43Å; A690-C693 PolarHBondContact O-N 3.29Å; A690-L694 PolarHBondContact O-N 3.47Å
691	L	82.1	Confident	77.3	Confident	65 Å²	65	58.1 Å²	58.1	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-68.3	-40.7	175.5	-178	63.3	0	0	0	112.4	A687 S688 A689 C693 L694 R695 V711	A687-L691 WeakPolarHBondContact O-CB 3.23Å; A687-L691 PolarHBondContact O-N 2.63Å; S688-L691 PolarHBondContact O-N 2.71Å; A689-L691 PolarHBondContact O-N 3.13Å; L691-C693 VanDerWaalsContact C-N 3.3Å; L691-C693 PolarHBondContact O-N 3.29Å; L691-L694 PolarHBondContact O-N 3.04Å; L691-R695 WeakPolarHBondContact O-CB 3.44Å; L691-R695 PolarHBondContact O-N 2.96Å; L691-V711 HydrophobicContact CD1-CG2 4.19Å
692	R	82.4	Confident	78.6	Confident	113 Å²	113	55 Å²	55	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-58.2	-42.9	171.9	-76	-168.8	-61	-89.5	5.8	111.7	D656 S688 A689 R695 H696	D656-R692 IonicContact OD1-NE 3.72Å; D656-R692 IonicContact OD1-NH2 2.74Å; D656-R692 IonicContact OD2-CZ 2.65Å; D656-R692 VanDerWaalsContact OD2-CZ 3.24Å; D656-R692 IonicContact OD2-NE 2.66Å; D656-R692 PolarHBondContact OD2-NE 3.27Å; D656-R692 IonicContact OD2-NH2 3.02Å; D656-R692 PolarHBondContact OD2-NH2 3.01Å; S688-R692 WeakPolarHBondContact O-CG 3Å; S688-R692 PolarHBondContact O-N 2.65Å; A689-R692 VanDerWaalsContact CB-NH2 3.31Å; A689-R692 PolarHBondContact O-N 2.89Å; R692-R695 PolarHBondContact O-N 3.09Å; R692-H696 WeakPolarHBondContact O-CB 3.43Å; R692-H696 PolarHBondContact O-N 2.93Å
693	C	83.6	Confident	79.6	Confident	2 Å²	2	51 Å²	51	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-49.4	177	-178	0	0	0	0	111.6	C654 V676 A689 A690 L691 R695 H696 I697	C654-C693 HydrophobicContact CB-CB 3.63Å; C654-C693 WeakPolarHBondContact CB-SG 3.31Å; C654-C693 WeakPolarHBondContact SG-CA 3.44Å; C654-C693 WeakPolarHBondContact SG-CB 3.4Å; C654-C693 CovalentContact SG-SG 2.03Å; C654-C693 PolarHBondContact SG-SG 2.83Å; V676-C693 HydrophobicContact CG1-CB 4.29Å; V676-C693 HydrophobicContact CG2-CB 4.43Å; A689-C693 VanDerWaalsContact O-CB 3.32Å; A689-C693 WeakPolarHBondContact O-CB 3.01Å; A689-C693 PolarHBondContact O-N 2.84Å; A690-C693 WeakPolarHBondContact O-CB 3.43Å; A690-C693 PolarHBondContact O-N 3.29Å; L691-C693 VanDerWaalsContact C-N 3.3Å; L691-C693 PolarHBondContact O-N 3.29Å; C693-R695 PolarHBondContact O-N 3.19Å; C693-H696 PolarHBondContact O-N 2.63Å; C693-I697 WeakPolarHBondContact O-CD1 3.26Å; C693-I697 VanDerWaalsContact O-CG1 3.25Å; C693-I697 WeakPolarHBondContact O-CG1 3.03Å; C693-I697 PolarHBondContact O-N 3.14Å
694	L	83.7	Confident	80.3	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-41.7	175	-70.5	-177.5	0	0	0	113.2	A627 F629 V676 A690 L691 I697 K698 L709	A627-L694 HydrophobicContact CB-CD1 3.37Å; A627-L694 HydrophobicContact CB-CG 3.96Å; F629-L694 HydrophobicContact CD1-CB 4.04Å; F629-L694 HydrophobicContact CD1-CD1 4.06Å; F629-L694 HydrophobicContact CD1-CD2 3.67Å; F629-L694 HydrophobicContact CD1-CG 4.14Å; F629-L694 HydrophobicContact CE1-CB 3.95Å; F629-L694 HydrophobicContact CE1-CD2 3.65Å; F629-L694 HydrophobicContact CE1-CG 4.28Å; V676-L694 HydrophobicContact CB-CD2 4.15Å; V676-L694 HydrophobicContact CG2-CD2 3.4Å; V676-L694 HydrophobicContact CG2-CG 4.03Å; A690-L694 PolarHBondContact O-N 3.47Å; L691-L694 PolarHBondContact O-N 3.04Å; L694-I697 PolarHBondContact O-N 3.37Å; L694-K698 PolarHBondContact O-N 2.98Å; L694-L709 HydrophobicContact CD1-CD1 3.65Å
695	R	83.8	Confident	80.6	Confident	134 Å²	134	57.4 Å²	57.4	51%	0.506	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-48.3	178.1	-174.7	-174.4	-61.9	162.5	-1.4	111	L691 R692 C693 I697 K698 E699	L691-R695 WeakPolarHBondContact O-CB 3.44Å; L691-R695 PolarHBondContact O-N 2.96Å; R692-R695 PolarHBondContact O-N 3.09Å; C693-R695 PolarHBondContact O-N 3.19Å; R695-I697 VanDerWaalsContact C-N 3.3Å; R695-I697 PolarHBondContact O-N 2.86Å; R695-K698 WeakPolarHBondContact O-CB 3.42Å; R695-K698 PolarHBondContact O-N 3.27Å; R695-K698 VanDerWaalsContact O-N 3.09Å; R695-E699 VanDerWaalsContact CD-OE1 3.25Å; R695-E699 WeakPolarHBondContact CD-OE1 3.1Å; R695-E699 HydrophobicContact CG-CG 4.33Å; R695-E699 WeakPolarHBondContact CG-OE1 3.5Å; R695-E699 WeakPolarHBondContact O-CG 3.33Å; R695-E699 PolarHBondContact O-N 2.02Å
696	H	83.6	Confident	80.9	Confident	60 Å²	60	59.3 Å²	59.3	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-38.3	177.5	-170.9	102.2	0	0	0	111.8	Y652 R692 C693 E699 R700	Y652-H696 AromaticContact CE2-NE2 3.96Å; Y652-H696 AromaticContact CZ-CD2 3.58Å; Y652-H696 AromaticContact CZ-NE2 3.74Å; Y652-H696 PolarHBondContact OH-CD2 3.28Å; Y652-H696 PolarHBondContact OH-NE2 2.71Å; R692-H696 WeakPolarHBondContact O-CB 3.43Å; R692-H696 PolarHBondContact O-N 2.93Å; C693-H696 PolarHBondContact O-N 2.63Å; H696-E699 PolarHBondContact O-N 3.36Å; H696-R700 WeakPolarHBondContact O-CB 3.49Å; H696-R700 PolarHBondContact O-N 3.48Å
697	I	81.6	Confident	81.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-45.3	173.2	-70.6	165.5	0	0	0	110.6	F629 M643 Y661 V676 C693 L694 R695 Y701 L703	F629-I697 HydrophobicContact CZ-CG2 4.04Å; M643-I697 HydrophobicContact CE-CG2 3.29Å; M643-I697 HydrophobicContact SD-CG2 3.9Å; Y661-I697 HydrophobicContact CD1-CD1 4.18Å; Y661-I697 HydrophobicContact CD2-CD1 3.89Å; Y661-I697 HydrophobicContact CE2-CD1 4.36Å; Y661-I697 HydrophobicContact CG-CD1 3.79Å; V676-I697 HydrophobicContact CG2-CD1 4.1Å; C693-I697 WeakPolarHBondContact O-CD1 3.26Å; C693-I697 VanDerWaalsContact O-CG1 3.25Å; C693-I697 WeakPolarHBondContact O-CG1 3.03Å; C693-I697 PolarHBondContact O-N 3.14Å; L694-I697 PolarHBondContact O-N 3.37Å; R695-I697 VanDerWaalsContact C-N 3.3Å; R695-I697 PolarHBondContact O-N 2.86Å; I697-Y701 HydrophobicContact CG2-CD2 4.21Å; I697-Y701 VanDerWaalsContact O-CD2 3.27Å; I697-Y701 WeakPolarHBondContact O-CD2 3.18Å; I697-Y701 PolarHBondContact O-N 3.49Å; I697-L703 HydrophobicContact CG2-CD1 4.2Å
698	K	85	Confident	81.3	Confident	48 Å²	48	62.8 Å²	62.8	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-49.8	176.8	-178.7	179.8	-178.6	171	0	112	L694 R695 E702 L703 T706 W742	L694-K698 PolarHBondContact O-N 2.98Å; R695-K698 WeakPolarHBondContact O-CB 3.42Å; R695-K698 PolarHBondContact O-N 3.27Å; R695-K698 VanDerWaalsContact O-N 3.09Å; K698-E702 WeakPolarHBondContact O-CA 3.31Å; K698-E702 PolarHBondContact O-N 2.03Å; K698-L703 VanDerWaalsContact CE-O 3.24Å; K698-L703 WeakPolarHBondContact CE-O 3.47Å; K698-L703 HydrophobicContact CG-CB 4.23Å; K698-L703 PolarHBondContact O-N 3.28Å; K698-T706 HydrophobicContact CD-CG2 3.79Å; K698-T706 HydrophobicContact CG-CG2 4.02Å; K698-T706 PolarHBondContact NZ-OG1 3.33Å; K698-W742 HydrophobicContact CD-CZ3 4.18Å
699	E	84.3	Confident	81.7	Confident	109 Å²	109	62.7 Å²	62.7	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-48.1	-179	-70.3	165.8	179.3	0	0	111.6	R695 H696 Y701 E702	R695-E699 VanDerWaalsContact CD-OE1 3.25Å; R695-E699 WeakPolarHBondContact CD-OE1 3.1Å; R695-E699 HydrophobicContact CG-CG 4.33Å; R695-E699 WeakPolarHBondContact CG-OE1 3.5Å; R695-E699 WeakPolarHBondContact O-CG 3.33Å; R695-E699 PolarHBondContact O-N 2.02Å; H696-E699 PolarHBondContact O-N 3.36Å; E699-Y701 VanDerWaalsContact C-N 3.3Å; E699-Y701 PolarHBondContact O-N 3.29Å; E699-E702 PolarHBondContact O-N 3.24Å
700	R	82.4	Confident	81.9	Confident	123 Å²	123	65.9 Å²	65.9	46%	0.464	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-29	-174.5	176.3	164	168.2	63	8.8	113.9	D646 H696	D646-R700 IonicContact OD2-CZ 2.86Å; D646-R700 IonicContact OD2-NH2 3.76Å; D646-R700 PolarHBondContact OD2-NH2 3.35Å; H696-R700 WeakPolarHBondContact O-CB 3.49Å; H696-R700 PolarHBondContact O-N 3.48Å
701	Y	81	Confident	82	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.016	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	16.9	178.9	-54.2	-69.8	0	0	0	112.3	N639 H642 M643 D646 I697 E699 L703	N639-Y701 WeakPolarHBondContact CB-O 3.36Å; N639-Y701 PolarHBondContact ND2-O 3.16Å; H642-Y701 HydrophobicContact CB-CD1 4.21Å; H642-Y701 HydrophobicContact CB-CE1 4.17Å; M643-Y701 VanDerWaalsContact CA-CE1 3.49Å; M643-Y701 HydrophobicContact CB-CD1 3.74Å; M643-Y701 HydrophobicContact CB-CD2 3.65Å; M643-Y701 HydrophobicContact CB-CE1 3.99Å; M643-Y701 HydrophobicContact CB-CE2 3.91Å; M643-Y701 HydrophobicContact CB-CG 3.58Å; M643-Y701 HydrophobicContact CG-CD1 4.45Å; M643-Y701 HydrophobicContact CG-CD2 3.43Å; M643-Y701 VanDerWaalsContact CG-CD2 3.43Å; M643-Y701 HydrophobicContact CG-CE2 3.62Å; M643-Y701 HydrophobicContact CG-CG 3.91Å; M643-Y701 HydrophobicContact SD-CD2 3.99Å; M643-Y701 HydrophobicContact SD-CG 4.41Å; D646-Y701 VanDerWaalsContact CB-OH 3.31Å; D646-Y701 WeakPolarHBondContact CB-OH 3.24Å; D646-Y701 PolarHBondContact OD2-OH 3.22Å; I697-Y701 HydrophobicContact CG2-CD2 4.21Å; I697-Y701 VanDerWaalsContact O-CD2 3.27Å; I697-Y701 WeakPolarHBondContact O-CD2 3.18Å; I697-Y701 PolarHBondContact O-N 3.49Å; E699-Y701 VanDerWaalsContact C-N 3.3Å; E699-Y701 PolarHBondContact O-N 3.29Å; Y701-L703 VanDerWaalsContact C-N 3.25Å; Y701-L703 WeakPolarHBondContact O-CD2 3.41Å; Y701-L703 PolarHBondContact O-N 2.94Å; Y701-L703 VanDerWaalsContact O-N 3.14Å
702	E	81.4	Confident	82	Confident	139 Å²	139	64.6 Å²	64.6	65%	0.65	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	50.2	174.3	-52.5	165.8	157.4	0	0	111.7	N639 K698 E699 E704	N639-E702 PolarHBondContact ND2-OE2 3.48Å; K698-E702 WeakPolarHBondContact O-CA 3.31Å; K698-E702 PolarHBondContact O-N 2.03Å; E699-E702 PolarHBondContact O-N 3.24Å; E702-E704 PolarHBondContact O-N 3.18Å; E702-E704 VanDerWaalsContact O-N 3.15Å
703	L	79.3	Confident	81.6	Confident	6 Å²	6	61 Å²	61	3%	0.031	30%	0.296	C	S	.	.			trans	-80.3	101	-171.5	-58.2	177.5	0	0	0	110.9	F629 F631 M643 I697 K698 Y701 T706	F629-L703 HydrophobicContact CE2-CD1 3.76Å; F629-L703 HydrophobicContact CZ-CD1 3.72Å; F631-L703 HydrophobicContact CD2-CD1 4.35Å; F631-L703 HydrophobicContact CD2-CD2 3.94Å; F631-L703 HydrophobicContact CE2-CD2 4.1Å; F631-L703 HydrophobicContact CG-CD1 4.3Å; M643-L703 HydrophobicContact CE-CD1 4.34Å; M643-L703 HydrophobicContact SD-CD1 3.74Å; M643-L703 HydrophobicContact SD-CD2 4.32Å; I697-L703 HydrophobicContact CG2-CD1 4.2Å; K698-L703 VanDerWaalsContact CE-O 3.24Å; K698-L703 WeakPolarHBondContact CE-O 3.47Å; K698-L703 HydrophobicContact CG-CB 4.23Å; K698-L703 PolarHBondContact O-N 3.28Å; Y701-L703 VanDerWaalsContact C-N 3.25Å; Y701-L703 WeakPolarHBondContact O-CD2 3.41Å; Y701-L703 PolarHBondContact O-N 2.94Å; Y701-L703 VanDerWaalsContact O-N 3.14Å; L703-T706 HydrophobicContact CB-CG2 4.17Å
704	E	73.8	Confident	80.7	Confident	157 Å²	157	66 Å²	66	73%	0.734	32%	0.319	S	S	*	.			trans	-67.4	158.5	169.7	-62.9	175	174.7	0	0	111.9	E702 T706	E702-E704 PolarHBondContact O-N 3.18Å; E702-E704 VanDerWaalsContact O-N 3.15Å; E704-T706 VanDerWaalsContact C-N 3.34Å; E704-T706 PolarHBondContact O-N 3.42Å
705	D	72.9	Confident	79.5	Confident	115 Å²	115	72.9 Å²	72.9	62%	0.615	35%	0.345	S	S	*	.	S	Bend	trans	52.1	39.8	173.8	-62.3	-27	0	0	0	116.3	T707	D705-T707 PolarHBondContact O-N 3.09Å
706	T	80.8	Confident	77.8	Confident	44 Å²	44	69.8 Å²	69.8	27%	0.27	35%	0.348	S	S	.	.			trans	-65.7	119.4	173.2	56	0	0	0	0	111.7	F629 K630 F631 K698 L703 E704	F629-T706 HydrophobicContact CD2-CG2 3.89Å; F629-T706 HydrophobicContact CE2-CG2 3.93Å; F629-T706 HydrophobicContact CG-CG2 4.48Å; K630-T706 CarbonylContact O-C 3.59Å; K630-T706 VanDerWaalsContact O-CA 3.3Å; K630-T706 WeakPolarHBondContact O-CA 3.19Å; F631-T706 HydrophobicContact CB-CG2 4.39Å; K698-T706 HydrophobicContact CD-CG2 3.79Å; K698-T706 HydrophobicContact CG-CG2 4.02Å; K698-T706 PolarHBondContact NZ-OG1 3.33Å; L703-T706 HydrophobicContact CB-CG2 4.17Å; E704-T706 VanDerWaalsContact C-N 3.34Å; E704-T706 PolarHBondContact O-N 3.42Å
707	T	84.3	Confident	75.5	Confident	37 Å²	37	70.7 Å²	70.7	23%	0.227	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	172.9	-178.2	48.5	0	0	0	0	111.2	K630 D705 L709	K630-T707 PolarHBondContact N-O 3Å; K630-T707 PolarHBondContact O-N 2.86Å; D705-T707 PolarHBondContact O-N 3.09Å; T707-L709 VanDerWaalsContact C-N 3.28Å; T707-L709 PolarHBondContact O-N 3.29Å; T707-L709 VanDerWaalsContact O-N 3.16Å
708	D	82.4	Confident	72.9	Confident	83 Å²	83	76.2 Å²	76.2	44%	0.444	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.6	42.4	176.4	-65.1	-4.3	0	0	0	114.6	K630 I710	K630-D708 HydrophobicContact CB-CB 4.45Å; K630-D708 HydrophobicContact CD-CB 4.01Å; K630-D708 WeakPolarHBondContact CD-OD2 3.48Å; K630-D708 VanDerWaalsContact CE-OD2 3.24Å; K630-D708 WeakPolarHBondContact CE-OD2 3.27Å; K630-D708 HydrophobicContact CG-CB 4.12Å; K630-D708 IonicContact NZ-OD2 2.79Å; K630-D708 PolarHBondContact NZ-OD2 2.99Å; D708-I710 PolarHBondContact O-N 3.25Å
709	L	86.1	Confident	70.2	Confident	73 Å²	73	80.6 Å²	80.6	38%	0.382	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	118	173.9	178.6	64.5	0	0	0	110.1	T628 F629 L694 T707 V711 L740	T628-L709 CarbonylContact O-C 3.52Å; T628-L709 WeakPolarHBondContact O-CA 3.32Å; F629-L709 HydrophobicContact CB-CD1 4.25Å; L694-L709 HydrophobicContact CD1-CD1 3.65Å; T707-L709 VanDerWaalsContact C-N 3.28Å; T707-L709 PolarHBondContact O-N 3.29Å; T707-L709 VanDerWaalsContact O-N 3.16Å; L709-V711 HydrophobicContact CD1-CG2 4.03Å; L709-V711 HydrophobicContact CG-CG2 4.3Å; L709-L740 HydrophobicContact CD2-CD2 4.13Å
710	I	84.1	Confident	67.4	Low	68 Å²	68	86.3 Å²	86.3	35%	0.349	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.8	173.1	-57.4	169.5	0	0	0	107.6	F615 A627 T628 D708	F615-I710 HydrophobicContact CB-CG2 4.02Å; F615-I710 HydrophobicContact CD1-CG2 3.73Å; F615-I710 HydrophobicContact CE1-CG2 4.41Å; F615-I710 HydrophobicContact CG-CG2 3.88Å; A627-I710 CarbonylContact C-O 3.56Å; A627-I710 VanDerWaalsContact CA-O 3.26Å; A627-I710 WeakPolarHBondContact CA-O 3.24Å; T628-I710 HydrophobicContact CG2-CB 3.83Å; T628-I710 HydrophobicContact CG2-CD1 4.28Å; T628-I710 HydrophobicContact CG2-CG1 4.38Å; T628-I710 PolarHBondContact N-O 2.85Å; T628-I710 PolarHBondContact O-N 3.14Å; D708-I710 PolarHBondContact O-N 3.25Å
711	V	84.3	Confident	64.8	Low	36 Å²	36	83 Å²	83	22%	0.218	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.2	172.2	-168.4	0	0	0	0	107.3	N613 A627 A687 L691 L709	N613-V711 PolarHBondContact ND2-O 3.16Å; A627-V711 HydrophobicContact CB-CB 4.39Å; A627-V711 HydrophobicContact CB-CG1 4.06Å; A627-V711 HydrophobicContact CB-CG2 4.19Å; A687-V711 HydrophobicContact CB-CG1 4.32Å; L691-V711 HydrophobicContact CD1-CG2 4.19Å; L709-V711 HydrophobicContact CD1-CG2 4.03Å; L709-V711 HydrophobicContact CG-CG2 4.3Å
712	S	82.4	Confident	62.1	Low	2 Å²	2	93 Å²	93	1%	0.014	49%	0.491	C	S	.	.			trans	-67.2	158.3	171.8	-67.7	0	0	0	0	110.6	N613 G626 F685 A687	N613-S712 PolarHBondContact O-OG 2.66Å; N613-S712 VanDerWaalsContact OD1-CA 3.26Å; N613-S712 WeakPolarHBondContact OD1-CA 3.15Å; G626-S712 PolarHBondContact N-OG 3.28Å; G626-S712 PolarHBondContact O-N 2.81Å; F685-S712 VanDerWaalsContact CE1-O 3.32Å; F685-S712 WeakPolarHBondContact CE1-O 3.17Å; A687-S712 WeakPolarHBondContact CB-O 2.95Å
713	S	72.1	Confident	59.5	Low	39 Å²	39	92.8 Å²	92.8	27%	0.273	50%	0.499	S	S	.	.			trans	-121.3	147.1	178	44.6	0	0	0	0	110.1	C611 T612 N613	C611-S713 VanDerWaalsContact CA-O 3.23Å; C611-S713 WeakPolarHBondContact CA-O 3.24Å; C611-S713 WeakPolarHBondContact CB-O 3.3Å; T612-S713 PolarHBondContact N-O 2.94Å; T612-S713 VanDerWaalsContact N-O 3.15Å; T612-S713 PolarHBondContact OG1-O 2.99Å; T612-S713 PolarHBondContact OG1-OG 3.44Å; N613-S713 PolarHBondContact OD1-N 3.24Å; N613-S713 PolarHBondContact OD1-OG 2.9Å
714	E	66.1	Low	57	Low	106 Å²	106	101.5 Å²	101.5	50%	0.495	54%	0.542	S	S	.	.	B	Isolated β-bridge	trans	-62.3	137.4	178.2	-74	174.9	-147.4	0	0	110.6	F685 A716	F685-E714 WeakPolarHBondContact O-CG 3.43Å; E714-A716 PolarHBondContact O-N 3.46Å
715	R	58.8	Low	54.8	Low	147 Å²	147	98.5 Å²	98.5	56%	0.555	54%	0.544	S	S	*	.			trans	-65.5	110	164.1	-78.5	178.2	-177.8	-167	-4.7	108.1	A609 R610 C611 T612 A717	A609-R715 PolarHBondContact O-NE 2.83Å; A609-R715 PolarHBondContact O-NH1 3.29Å; A609-R715 PolarHBondContact O-NH2 3.16Å; R610-R715 WeakPolarHBondContact O-CB 3.48Å; R610-R715 WeakPolarHBondContact O-CD 3.48Å; R610-R715 VanDerWaalsContact O-CG 3.27Å; R610-R715 WeakPolarHBondContact O-CG 3.4Å; C611-R715 PolarHBondContact O-NE 3.11Å; T612-R715 HydrophobicContact CG2-CG 4.22Å; R715-A717 PolarHBondContact O-N 3.15Å
716	A	48	Very low	52.7	Low	69 Å²	69	100.2 Å²	100.2	57%	0.57	55%	0.553	S	S	*	*			trans	-53.7	112.3	170.5	0	0	0	0	0	109.2	E714 V718	E714-A716 PolarHBondContact O-N 3.46Å; A716-V718 PolarHBondContact O-N 3.14Å
717	A	34.6	Very low	50.3	Low	80 Å²	80	102.5 Å²	102.5	66%	0.661	57%	0.568	S	S	*	*			trans	-66.7	107.2	172.6	0	0	0	0	0	107.8	R715 N719	R715-A717 PolarHBondContact O-N 3.15Å; A717-N719 PolarHBondContact O-N 3.18Å
718	V	27.6	Very low	48.2	Very low	115 Å²	115	106.5 Å²	106.5	70%	0.697	59%	0.587	S	S	*	*			trans	-73.7	68.8	178	-171.1	0	0	0	0	109.7	A716 Y720	A716-V718 PolarHBondContact O-N 3.14Å; V718-Y720 HydrophobicContact CG1-CD2 3.83Å; V718-Y720 HydrophobicContact CG1-CE2 3.6Å; V718-Y720 PolarHBondContact O-N 2.81Å
719	N	27.1	Very low	46	Very low	141 Å²	141	106.1 Å²	106.1	75%	0.754	60%	0.596	S	S	*	*			trans	-76.8	107.4	162.4	-88.4	-28.7	0	0	0	107.5	A717 G721	A717-N719 PolarHBondContact O-N 3.18Å; N719-G721 PolarHBondContact O-N 2.94Å
720	Y	26.5	Very low	43.5	Very low	228 Å²	228	108.5 Å²	108.5	89%	0.894	62%	0.617	S	S	*	*			trans	-67.7	72.7	166	-85.1	-91	0	0	0	109.7	V718	V718-Y720 HydrophobicContact CG1-CD2 3.83Å; V718-Y720 HydrophobicContact CG1-CE2 3.6Å; V718-Y720 PolarHBondContact O-N 2.81Å
721	G	26.9	Very low	41.3	Very low	53 Å²	53	110 Å²	110	55%	0.546	63%	0.625	S	S	.	*			trans	-145.8	105.4	-175	0	0	0	0	0	110.5	N719 T723	N719-G721 PolarHBondContact O-N 2.94Å; G721-T723 PolarHBondContact O-N 2.87Å
722	K	25	Very low	39.2	Very low	215 Å²	215	114 Å²	114	94%	0.935	65%	0.645	S	S	*	*			trans	-43.5	94.6	-172.8	-66.3	171.4	172.8	176.7	0	116
723	T	25.6	Very low	37.2	Very low	134 Å²	134	122.5 Å²	122.5	82%	0.822	68%	0.684	S	S	*	*	S	Bend	trans	-152.4	137.7	149	33.1	0	0	0	0	109.8	G721 A725	G721-T723 PolarHBondContact O-N 2.87Å; T723-A725 PolarHBondContact O-N 3.33Å
724	M	27.6	Very low	35.6	Very low	190 Å²	190	128.5 Å²	128.5	94%	0.936	71%	0.708	S	S	*	*			trans	-34.6	113.4	-173.9	-48.6	-163.6	-63.6	0	0	114.3
725	A	28.1	Very low	34.2	Very low	94 Å²	94	131.1 Å²	131.1	78%	0.777	72%	0.724	S	S	*	*				79.2	87	65.4	0	0	0	0	0	114.7	T723	T723-A725 PolarHBondContact O-N 3.33Å
726	L	28.2	Very low	33.5	Very low	150 Å²	150	126.9 Å²	126.9	79%	0.785	71%	0.712	S	S	*	*			trans	-145.3	118.5	156	-91.7	176.3	0	0	0	109.2	I728	L726-I728 PolarHBondContact O-N 2.99Å
727	P	31.5	Very low	33.3	Very low	92 Å²	92	133 Å²	133	60%	0.597	72%	0.72	S	S	*	*			trans	-98.6	61.2	-169.3	38.4	-36	0	0	0	114.1
728	I	39.4	Very low	33.6	Very low	121 Å²	121	133.9 Å²	133.9	62%	0.621	71%	0.709	S	S	*	*			trans	-87	-23.8	174.5	-62.9	175.4	0	0	0	111.9	L726 C730 L731	L726-I728 PolarHBondContact O-N 2.99Å; I728-C730 VanDerWaalsContact C-N 3.26Å; I728-C730 PolarHBondContact O-N 3.31Å; I728-C730 VanDerWaalsContact O-N 3.14Å; I728-L731 PolarHBondContact O-N 2.89Å
729	A	35.7	Very low	34	Very low	76 Å²	76	133.7 Å²	133.7	63%	0.628	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-14	-172.8	0	0	0	0	0	115.8
730	C	33.6	Very low	34.6	Very low	122 Å²	122	131 Å²	131	82%	0.824	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-4.3	178.5	-76.7	0	0	0	0	114.7	I728	I728-C730 VanDerWaalsContact C-N 3.26Å; I728-C730 PolarHBondContact O-N 3.31Å; I728-C730 VanDerWaalsContact O-N 3.14Å
731	L	37.4	Very low	35.2	Very low	100 Å²	100	123.8 Å²	123.8	52%	0.524	66%	0.658	S	S	.	*	S	Bend	trans	-87.2	-6.6	-176.8	-85	159.2	0	0	0	114.5	I728 I791	I728-L731 PolarHBondContact O-N 2.89Å; L731-I791 HydrophobicContact CD2-CD1 4.07Å; L731-I791 HydrophobicContact CD2-CG1 4.37Å
732	L	41	Very low	35.8	Very low	120 Å²	120	128.3 Å²	128.3	63%	0.628	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	0.2	-167.1	-71	170.7	0	0	0	115.9
733	E	39.4	Very low	36.5	Very low	181 Å²	181	120.3 Å²	120.3	85%	0.846	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-6	177.6	-68.7	-165	145.2	0	0	114.1
734	H	39.3	Very low	37.2	Very low	165 Å²	165	120.7 Å²	120.7	76%	0.764	63%	0.626	S	S	*	*	S	Bend	trans	-125.7	119.6	-178.6	-67.8	-19.9	0	0	0	112.9	I736	H734-I736 PolarHBondContact O-N 2.81Å
735	L	37.9	Very low	37.7	Very low	161 Å²	161	119.2 Å²	119.2	84%	0.843	62%	0.617	S	S	*	*			trans	-46.1	83.6	-173.3	-70.8	152.7	0	0	0	116.3
736	I	44.1	Very low	38.3	Very low	58 Å²	58	124.6 Å²	124.6	30%	0.297	63%	0.626	S	S	.	*			trans	-125.5	116.7	158.8	-54.7	178.6	0	0	0	108.4	H734 F738 L754 Y789	H734-I736 PolarHBondContact O-N 2.81Å; I736-F738 HydrophobicContact CB-CE2 4.13Å; I736-F738 HydrophobicContact CG2-CD2 4.02Å; I736-F738 HydrophobicContact CG2-CE1 4.2Å; I736-F738 HydrophobicContact CG2-CE2 3.52Å; I736-F738 HydrophobicContact CG2-CZ 3.64Å; I736-L754 HydrophobicContact CG2-CD2 3.63Å; I736-L754 HydrophobicContact CG2-CG 4.09Å; I736-Y789 HydrophobicContact CD1-CD2 4.17Å; I736-Y789 HydrophobicContact CD1-CE2 3.58Å
737	R	42	Very low	38.8	Very low	198 Å²	198	120.7 Å²	120.7	75%	0.747	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-93.8	118.6	170.2	-83	-177.8	179.6	168	1	108.7	T755	R737-T755 WeakPolarHBondContact CB-OG1 3.19Å; R737-T755 PolarHBondContact O-N 3.02Å; R737-T755 PolarHBondContact O-OG1 2.89Å
738	F	40.8	Very low	39.2	Very low	98 Å²	98	124.8 Å²	124.8	43%	0.43	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.8	134.7	165.7	-60.8	-88.5	0	0	0	109	I736 F752 E753 L754	I736-F738 HydrophobicContact CB-CE2 4.13Å; I736-F738 HydrophobicContact CG2-CD2 4.02Å; I736-F738 HydrophobicContact CG2-CE1 4.2Å; I736-F738 HydrophobicContact CG2-CE2 3.52Å; I736-F738 HydrophobicContact CG2-CZ 3.64Å; F738-F752 HydrophobicContact CB-CB 4.38Å; F738-F752 HydrophobicContact CB-CD1 4.01Å; F738-F752 HydrophobicContact CD1-CB 3.88Å; F738-F752 HydrophobicContact CG-CB 4.42Å; F738-F752 HydrophobicContact CG-CD1 4.36Å; F738-E753 CarbonylContact C-O 3.51Å; F738-E753 WeakPolarHBondContact CA-O 3.47Å; F738-L754 HydrophobicContact CD1-CD1 4.13Å; F738-L754 HydrophobicContact CD1-CG 4.03Å; F738-L754 HydrophobicContact CE1-CD1 3.51Å; F738-L754 HydrophobicContact CE1-CG 3.74Å; F738-L754 HydrophobicContact CZ-CD1 4.36Å; F738-L754 HydrophobicContact CZ-CG 4.49Å
739	R	37.9	Very low	39.3	Very low	111 Å²	111	126.8 Å²	126.8	42%	0.419	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.8	129.2	164.9	-169	-165.1	-157.4	177.6	-0	107.7	E753 T755	R739-E753 HydrophobicContact CB-CB 4.24Å; R739-E753 WeakPolarHBondContact CD-OE2 3.46Å; R739-E753 IonicContact CZ-OE2 3.92Å; R739-E753 PolarHBondContact N-O 2.97Å; R739-E753 IonicContact NE-OE2 2.95Å; R739-E753 IonicContact NH1-OE2 2.87Å; R739-E753 PolarHBondContact NH1-OE2 2.95Å; R739-E753 PolarHBondContact O-N 3.45Å; R739-T755 HydrophobicContact CB-CG2 3.83Å
740	L	38.8	Very low	39.5	Very low	85 Å²	85	126.7 Å²	126.7	45%	0.445	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79	123.3	172.9	-132.1	82.5	0	0	0	108.9	L709 V750 F752	L709-L740 HydrophobicContact CD2-CD2 4.13Å; L740-V750 HydrophobicContact CD1-CG1 3.62Å; L740-V750 HydrophobicContact CD2-CG1 3.73Å; L740-V750 HydrophobicContact CG-CG1 3.51Å; L740-F752 HydrophobicContact CD1-CD1 3.79Å; L740-F752 HydrophobicContact CD1-CE1 3.45Å; L740-F752 VanDerWaalsContact CD1-CE1 3.45Å; L740-F752 HydrophobicContact CD1-CZ 4.18Å
741	L	38.6	Very low	40	Very low	76 Å²	76	125.3 Å²	125.3	40%	0.398	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.3	126.5	166.8	-63.1	176.7	0	0	0	107.8	H751 E753	L741-H751 HydrophobicContact CB-CB 4.03Å; L741-H751 PolarHBondContact N-O 3.41Å; L741-H751 WeakPolarHBondContact O-CB 3.49Å; L741-H751 PolarHBondContact O-N 3.08Å; L741-H751 VanDerWaalsContact O-N 3.08Å; L741-E753 HydrophobicContact CD1-CB 3.97Å; L741-E753 HydrophobicContact CG-CB 4.35Å
742	W	39.7	Very low	40.2	Very low	147 Å²	147	126.7 Å²	126.7	56%	0.557	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.6	123.3	174.3	-174.5	43.8	0	0	0	108	K698	K698-W742 HydrophobicContact CD-CZ3 4.18Å
743	S	40.7	Very low	40.4	Very low	47 Å²	47	124.8 Å²	124.8	33%	0.329	59%	0.585	S	S	.	*			trans	-80.6	138.7	172.4	-172.5	0	0	0	0	109.4	E745	S743-E745 VanDerWaalsContact C-N 3.34Å
744	D	40	Very low	40.7	Very low	142 Å²	142	119 Å²	119	76%	0.759	56%	0.56	S	S	*	*	S	Bend	trans	-89.1	-2.8	-178.4	-149.7	18.2	0	0	0	112.5
745	E	38.5	Very low	41	Very low	159 Å²	159	113.7 Å²	113.7	74%	0.743	54%	0.539	S	S	*	.	S	Bend	trans	-114.3	95.8	-175.2	-65.9	-169.2	165.3	0	0	112.5	S743 D747	S743-E745 VanDerWaalsContact C-N 3.34Å; E745-D747 PolarHBondContact O-N 3.26Å
746	H	39.9	Very low	41.5	Very low	207 Å²	207	114.7 Å²	114.7	96%	0.958	54%	0.539	S	S	*	.	S	Bend	trans	52.5	5.5	155.6	-62.5	-26.4	0	0	0	120.6
747	D	38	Very low	41.5	Very low	68 Å²	68	115.4 Å²	115.4	36%	0.364	55%	0.548	S	S	.	.			trans	-110	120.2	176.6	-153.3	2.5	0	0	0	109.6	E745 R749	E745-D747 PolarHBondContact O-N 3.26Å; D747-R749 VanDerWaalsContact CG-NE 3.28Å; D747-R749 PolarHBondContact O-N 3.22Å; D747-R749 WeakPolarHBondContact OD1-CD 3.33Å; D747-R749 WeakPolarHBondContact OD1-CG 3.3Å; D747-R749 IonicContact OD1-CZ 3.72Å; D747-R749 IonicContact OD1-NE 3.14Å; D747-R749 PolarHBondContact OD1-NE 3.46Å; D747-R749 IonicContact OD1-NH2 3.07Å; D747-R749 WeakPolarHBondContact OD2-CD 2.87Å; D747-R749 IonicContact OD2-CZ 3.87Å; D747-R749 IonicContact OD2-NE 2.69Å; D747-R749 PolarHBondContact OD2-NE 3.37Å
748	D	40.8	Very low	41.6	Very low	178 Å²	178	111.3 Å²	111.3	95%	0.952	55%	0.549	S	S	*	.			trans	-69.4	23.1	178.5	-80.3	-42.7	0	0	0	112.9
749	R	41.1	Very low	41.5	Very low	163 Å²	163	112.2 Å²	112.2	62%	0.615	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-96.2	133	-174.1	-65.3	-177.3	-151.1	-150.2	0.9	111.6	D747	D747-R749 VanDerWaalsContact CG-NE 3.28Å; D747-R749 PolarHBondContact O-N 3.22Å; D747-R749 WeakPolarHBondContact OD1-CD 3.33Å; D747-R749 WeakPolarHBondContact OD1-CG 3.3Å; D747-R749 IonicContact OD1-CZ 3.72Å; D747-R749 IonicContact OD1-NE 3.14Å; D747-R749 PolarHBondContact OD1-NE 3.46Å; D747-R749 IonicContact OD1-NH2 3.07Å; D747-R749 WeakPolarHBondContact OD2-CD 2.87Å; D747-R749 IonicContact OD2-CZ 3.87Å; D747-R749 IonicContact OD2-NE 2.69Å; D747-R749 PolarHBondContact OD2-NE 3.37Å
750	V	40.3	Very low	41.6	Very low	75 Å²	75	119 Å²	119	46%	0.455	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	117	170.6	179.6	0	0	0	0	108.1	L740 F752	L740-V750 HydrophobicContact CD1-CG1 3.62Å; L740-V750 HydrophobicContact CD2-CG1 3.73Å; L740-V750 HydrophobicContact CG-CG1 3.51Å; V750-F752 HydrophobicContact CB-CE2 4.26Å; V750-F752 HydrophobicContact CG1-CD2 4.47Å; V750-F752 HydrophobicContact CG1-CE1 4.36Å; V750-F752 HydrophobicContact CG1-CE2 3.95Å; V750-F752 HydrophobicContact CG1-CZ 3.89Å
751	H	44.2	Very low	42	Very low	93 Å²	93	123.9 Å²	123.9	43%	0.431	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86	132.4	174.8	-67.2	-92.9	0	0	0	110.1	L741	L741-H751 HydrophobicContact CB-CB 4.03Å; L741-H751 PolarHBondContact N-O 3.41Å; L741-H751 WeakPolarHBondContact O-CB 3.49Å; L741-H751 PolarHBondContact O-N 3.08Å; L741-H751 VanDerWaalsContact O-N 3.08Å
752	F	41.1	Very low	42.3	Very low	129 Å²	129	124.1 Å²	124.1	57%	0.566	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.6	108.6	175	-64.1	-88.4	0	0	0	109.3	F738 L740 V750	F738-F752 HydrophobicContact CB-CB 4.38Å; F738-F752 HydrophobicContact CB-CD1 4.01Å; F738-F752 HydrophobicContact CD1-CB 3.88Å; F738-F752 HydrophobicContact CG-CB 4.42Å; F738-F752 HydrophobicContact CG-CD1 4.36Å; L740-F752 HydrophobicContact CD1-CD1 3.79Å; L740-F752 HydrophobicContact CD1-CE1 3.45Å; L740-F752 VanDerWaalsContact CD1-CE1 3.45Å; L740-F752 HydrophobicContact CD1-CZ 4.18Å; V750-F752 HydrophobicContact CB-CE2 4.26Å; V750-F752 HydrophobicContact CG1-CD2 4.47Å; V750-F752 HydrophobicContact CG1-CE1 4.36Å; V750-F752 HydrophobicContact CG1-CE2 3.95Å; V750-F752 HydrophobicContact CG1-CZ 3.89Å
753	E	45	Very low	42.8	Very low	80 Å²	80	125.8 Å²	125.8	37%	0.374	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	122.7	170.4	170.7	179.9	-124.1	0	0	108.5	F738 R739 L741 T755	F738-E753 CarbonylContact C-O 3.51Å; F738-E753 WeakPolarHBondContact CA-O 3.47Å; R739-E753 HydrophobicContact CB-CB 4.24Å; R739-E753 WeakPolarHBondContact CD-OE2 3.46Å; R739-E753 IonicContact CZ-OE2 3.92Å; R739-E753 PolarHBondContact N-O 2.97Å; R739-E753 IonicContact NE-OE2 2.95Å; R739-E753 IonicContact NH1-OE2 2.87Å; R739-E753 PolarHBondContact NH1-OE2 2.95Å; R739-E753 PolarHBondContact O-N 3.45Å; L741-E753 HydrophobicContact CD1-CB 3.97Å; L741-E753 HydrophobicContact CG-CB 4.35Å; E753-T755 PolarHBondContact O-N 3.29Å
754	L	46.2	Very low	43.4	Very low	60 Å²	60	124.5 Å²	124.5	31%	0.314	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.3	118.8	168.5	-99.4	109.6	0	0	0	108.7	I736 F738	I736-L754 HydrophobicContact CG2-CD2 3.63Å; I736-L754 HydrophobicContact CG2-CG 4.09Å; F738-L754 HydrophobicContact CD1-CD1 4.13Å; F738-L754 HydrophobicContact CD1-CG 4.03Å; F738-L754 HydrophobicContact CE1-CD1 3.51Å; F738-L754 HydrophobicContact CE1-CG 3.74Å; F738-L754 HydrophobicContact CZ-CD1 4.36Å; F738-L754 HydrophobicContact CZ-CG 4.49Å
755	T	46.6	Very low	44.2	Very low	53 Å²	53	121.9 Å²	121.9	33%	0.325	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-73.7	139.2	170.6	60.7	0	0	0	0	109.7	R737 R739 E753	R737-T755 WeakPolarHBondContact CB-OG1 3.19Å; R737-T755 PolarHBondContact O-N 3.02Å; R737-T755 PolarHBondContact O-OG1 2.89Å; R739-T755 HydrophobicContact CB-CG2 3.83Å; E753-T755 PolarHBondContact O-N 3.29Å
756	E	47.9	Very low	45	Very low	181 Å²	181	118.4 Å²	118.4	85%	0.846	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-52.1	131.9	173.7	-69.1	-171.3	142.7	0	0	111	S758	E756-S758 PolarHBondContact O-N 2.92Å
757	P	44.6	Very low	45.6	Very low	73 Å²	73	110.5 Å²	110.5	47%	0.474	55%	0.546	S	S	.	.			trans	-69.1	106.8	175.1	24.9	-28.9	0	0	0	109.2	D759 F762	P757-D759 PolarHBondContact O-N 2.77Å; P757-F762 HydrophobicContact CB-CD2 3.84Å; P757-F762 HydrophobicContact CB-CE2 4.42Å; P757-F762 HydrophobicContact CG-CB 4.14Å; P757-F762 HydrophobicContact CG-CD2 3.68Å; P757-F762 HydrophobicContact CG-CG 4.1Å
758	S	43.9	Very low	46.6	Very low	112 Å²	112	111.6 Å²	111.6	78%	0.783	55%	0.551	S	S	*	*	S	Bend	trans	-67.3	-0.2	178.5	57.6	0	0	0	0	114.4	E756	E756-S758 PolarHBondContact O-N 2.92Å
759	D	38.4	Very low	47.5	Very low	117 Å²	117	109.1 Å²	109.1	63%	0.626	53%	0.534	S	S	*	.	S	Bend	trans	-106.1	127.2	171.3	-87.6	-49.3	0	0	0	111.3	P757 K761	P757-D759 PolarHBondContact O-N 2.77Å; D759-K761 PolarHBondContact O-N 2.86Å
760	R	40.6	Very low	48.3	Very low	255 Å²	255	103 Å²	103	96%	0.962	51%	0.513	S	S	*	.	S	Bend	trans	-70	50.4	-173.3	-61.2	177.2	171.3	-177.1	-3.8	114.8
761	K	46	Very low	49	Very low	186 Å²	186	104 Å²	104	81%	0.809	52%	0.515	S	S	*	.			trans	-125.4	6.1	-175.8	-69.9	-175.5	177.4	176	0	115	D759 E763	D759-K761 PolarHBondContact O-N 2.86Å; K761-E763 PolarHBondContact O-N 2.87Å
762	F	46	Very low	49.7	Very low	81 Å²	81	106.8 Å²	106.8	36%	0.355	53%	0.528	S	S	.	.			trans	-93.9	86.9	176.3	-99.1	-76.8	0	0	0	112.6	P757 Y789	P757-F762 HydrophobicContact CB-CD2 3.84Å; P757-F762 HydrophobicContact CB-CE2 4.42Å; P757-F762 HydrophobicContact CG-CB 4.14Å; P757-F762 HydrophobicContact CG-CD2 3.68Å; P757-F762 HydrophobicContact CG-CG 4.1Å; F762-Y789 HydrophobicContact CE1-CE1 4.15Å; F762-Y789 AromaticContact CE1-CZ 3.95Å; F762-Y789 WeakPolarHBondContact CE1-OH 3.31Å; F762-Y789 HydrophobicContact CZ-CE1 4.18Å; F762-Y789 WeakPolarHBondContact CZ-OH 3.33Å
763	E	49.5	Very low	50.7	Low	183 Å²	183	108.8 Å²	108.8	86%	0.855	53%	0.532	S	S	*	.			trans	-98.7	53.8	175.2	-65	-172.4	160.5	0	0	112.2	K761 P765	K761-E763 PolarHBondContact O-N 2.87Å; E763-P765 WeakPolarHBondContact O-CD 3.37Å
764	N	53.1	Low	50.9	Low	19 Å²	19	114.2 Å²	114.2	10%	0.102	56%	0.557	C	S	.	*			trans	-99.3	101.7	164.8	-176.4	-19.8	0	0	0	109.5	T766 Y767 L768 F788	N764-T766 VanDerWaalsContact C-N 3.29Å; N764-T766 PolarHBondContact O-N 2.95Å; N764-T766 WeakPolarHBondContact OD1-CB 3.13Å; N764-T766 PolarHBondContact OD1-N 3.2Å; N764-Y767 PolarHBondContact O-N 2.78Å; N764-Y767 PolarHBondContact OD1-N 2.94Å; N764-Y767 VanDerWaalsContact OD1-N 3.09Å; N764-L768 PolarHBondContact O-N 3.45Å; N764-L768 VanDerWaalsContact O-N 3.14Å; N764-F788 HydrophobicContact CB-CE1 4.33Å; N764-F788 HydrophobicContact CB-CE2 4.32Å; N764-F788 HydrophobicContact CB-CZ 4Å; N764-F788 WeakPolarHBondContact ND2-CD2 3.36Å; N764-F788 WeakPolarHBondContact ND2-CE2 3.35Å; N764-F788 VanDerWaalsContact ND2-CG 3.34Å; N764-F788 WeakPolarHBondContact ND2-CG 3.33Å
765	P	56	Low	51.2	Low	87 Å²	87	119 Å²	119	57%	0.565	58%	0.584	S	S	*	*	H	α-helix	trans	-67.6	-27	-178.3	27.4	-34.5	0	0	0	113.1	E763 Q769	E763-P765 WeakPolarHBondContact O-CD 3.37Å; P765-Q769 WeakPolarHBondContact O-CB 3.43Å; P765-Q769 WeakPolarHBondContact O-CG 3.33Å; P765-Q769 PolarHBondContact O-N 2.9Å
766	T	55.6	Low	51.6	Low	87 Å²	87	117.7 Å²	117.7	53%	0.534	58%	0.575	S	S	.	*	H	α-helix	trans	-69.9	-43.2	176.3	-46.6	0	0	0	0	110.8	N764 Q769 M770	N764-T766 VanDerWaalsContact C-N 3.29Å; N764-T766 PolarHBondContact O-N 2.95Å; N764-T766 WeakPolarHBondContact OD1-CB 3.13Å; N764-T766 PolarHBondContact OD1-N 3.2Å; T766-Q769 PolarHBondContact O-N 3.26Å; T766-M770 WeakPolarHBondContact O-CG 3.02Å; T766-M770 PolarHBondContact O-N 2.94Å
767	Y	53.9	Low	52.1	Low	41 Å²	41	116.2 Å²	116.2	16%	0.161	57%	0.568	C	S	.	*	H	α-helix	trans	-63.4	-42.7	176.2	-175.5	-105.2	0	0	0	111.8	N764 Q769 M770 L771 L781	N764-Y767 PolarHBondContact O-N 2.78Å; N764-Y767 PolarHBondContact OD1-N 2.94Å; N764-Y767 VanDerWaalsContact OD1-N 3.09Å; Y767-Q769 VanDerWaalsContact C-N 3.34Å; Y767-Q769 PolarHBondContact O-N 3.45Å; Y767-M770 PolarHBondContact O-N 3.22Å; Y767-L771 HydrophobicContact CD1-CD1 3.86Å; Y767-L771 HydrophobicContact CE1-CD1 3.45Å; Y767-L771 VanDerWaalsContact CE1-CD1 3.45Å; Y767-L771 HydrophobicContact CE1-CG 4.23Å; Y767-L771 PolarHBondContact O-N 3.45Å; Y767-L781 HydrophobicContact CD2-CD2 4.18Å; Y767-L781 HydrophobicContact CE2-CD2 3.59Å
768	L	57.6	Low	52.7	Low	90 Å²	90	117.1 Å²	117.1	47%	0.471	58%	0.576	S	S	.	*	H	α-helix	trans	-61.6	-37	172.7	-83.8	160.3	0	0	0	113.1	N764 Q772	N764-L768 PolarHBondContact O-N 3.45Å; N764-L768 VanDerWaalsContact O-N 3.14Å; L768-Q772 VanDerWaalsContact O-CG 3.31Å; L768-Q772 WeakPolarHBondContact O-CG 3.33Å; L768-Q772 PolarHBondContact O-N 3.42Å
769	Q	60.3	Low	53.5	Low	127 Å²	127	118.5 Å²	118.5	59%	0.593	57%	0.571	S	S	*	*	H	α-helix	trans	-71.9	-29.7	174.8	-77.3	178.8	3.6	0	0	113.4	P765 T766 Y767	P765-Q769 WeakPolarHBondContact O-CB 3.43Å; P765-Q769 WeakPolarHBondContact O-CG 3.33Å; P765-Q769 PolarHBondContact O-N 2.9Å; T766-Q769 PolarHBondContact O-N 3.26Å; Y767-Q769 VanDerWaalsContact C-N 3.34Å; Y767-Q769 PolarHBondContact O-N 3.45Å
770	M	57.9	Low	54.6	Low	34 Å²	34	118.1 Å²	118.1	17%	0.167	57%	0.565	C	S	.	*	H	α-helix	trans	-74.4	-40.6	175.3	-71.2	-179.5	71	0	0	111.7	T766 Y767 Q772 R773 V776 A784	T766-M770 WeakPolarHBondContact O-CG 3.02Å; T766-M770 PolarHBondContact O-N 2.94Å; Y767-M770 PolarHBondContact O-N 3.22Å; M770-Q772 PolarHBondContact O-N 3.13Å; M770-R773 PolarHBondContact O-N 2.83Å; M770-R773 VanDerWaalsContact O-N 3.16Å; M770-V776 HydrophobicContact CE-CG1 4.31Å; M770-A784 HydrophobicContact CE-CB 3.71Å; M770-A784 HydrophobicContact SD-CB 3.7Å
771	L	55.6	Low	55.6	Low	95 Å²	95	107.7 Å²	107.7	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-21.8	172.9	-75.6	171.5	0	0	0	114	Y767 R773 L781	Y767-L771 HydrophobicContact CD1-CD1 3.86Å; Y767-L771 HydrophobicContact CE1-CD1 3.45Å; Y767-L771 VanDerWaalsContact CE1-CD1 3.45Å; Y767-L771 HydrophobicContact CE1-CG 4.23Å; Y767-L771 PolarHBondContact O-N 3.45Å; L771-R773 VanDerWaalsContact C-N 3.31Å; L771-L781 HydrophobicContact CD2-CD1 4.44Å; L771-L781 HydrophobicContact CD2-CD2 4.34Å
772	Q	57.5	Low	56.1	Low	153 Å²	153	102.6 Å²	102.6	72%	0.715	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.4	177.8	-75.7	174.8	-2.9	0	0	114.3	L768 M770	L768-Q772 VanDerWaalsContact O-CG 3.31Å; L768-Q772 WeakPolarHBondContact O-CG 3.33Å; L768-Q772 PolarHBondContact O-N 3.42Å; M770-Q772 PolarHBondContact O-N 3.13Å
773	R	61.8	Low	56.8	Low	171 Å²	171	102.3 Å²	102.3	65%	0.645	51%	0.51	S	S	*	.			trans	-99.6	118.4	178.7	-72.3	177.8	176.6	-170.4	-0.3	110.1	M770 L771 N775 V776	M770-R773 PolarHBondContact O-N 2.83Å; M770-R773 VanDerWaalsContact O-N 3.16Å; L771-R773 VanDerWaalsContact C-N 3.31Å; R773-N775 PolarHBondContact O-N 3.43Å; R773-V776 HydrophobicContact CB-CG2 3.48Å; R773-V776 VanDerWaalsContact CB-CG2 3.48Å; R773-V776 HydrophobicContact CG-CG2 4.36Å
774	E	49.4	Very low	57.4	Low	193 Å²	193	95 Å²	95	90%	0.902	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.1	-176.5	-62.1	179.4	149.2	0	0	115.1
775	N	52.8	Low	57.6	Low	162 Å²	162	94.8 Å²	94.8	87%	0.866	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	66.4	-179.5	-79.6	-44.5	0	0	0	110.7	R773	R773-N775 PolarHBondContact O-N 3.43Å
776	V	55	Low	57.7	Low	25 Å²	25	91.1 Å²	91.1	15%	0.152	46%	0.459	C	S	.	.			trans	-107.1	122	165.6	177.6	0	0	0	0	107.1	M770 R773 S778 E780 L781	M770-V776 HydrophobicContact CE-CG1 4.31Å; R773-V776 HydrophobicContact CB-CG2 3.48Å; R773-V776 VanDerWaalsContact CB-CG2 3.48Å; R773-V776 HydrophobicContact CG-CG2 4.36Å; V776-S778 PolarHBondContact O-N 2.83Å; V776-E780 HydrophobicContact CG1-CB 3.92Å; V776-L781 HydrophobicContact CB-CD1 4.19Å; V776-L781 HydrophobicContact CG1-CB 4.16Å; V776-L781 HydrophobicContact CG1-CD1 3.89Å; V776-L781 HydrophobicContact CG1-CG 3.94Å
777	E	58.9	Low	57.9	Low	149 Å²	149	93.7 Å²	93.7	70%	0.696	47%	0.465	S	S	*	.			trans	-63.6	137.2	174.6	-65.4	-169.7	160.3	0	0	109.2	E779 E780 L781	E777-E779 PolarHBondContact O-N 3.07Å; E777-E780 PolarHBondContact O-N 3.38Å; E777-L781 PolarHBondContact O-N 2.77Å
778	S	57.2	Low	58.2	Low	92 Å²	92	97 Å²	97	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-55.5	-27.2	-173.9	-48.4	0	0	0	0	113	V776 L781 L782	V776-S778 PolarHBondContact O-N 2.83Å; S778-L781 PolarHBondContact O-N 3.32Å; S778-L782 WeakPolarHBondContact O-CB 2.99Å; S778-L782 WeakPolarHBondContact O-CD1 3.42Å; S778-L782 VanDerWaalsContact O-CG 3.3Å; S778-L782 WeakPolarHBondContact O-CG 3.34Å; S778-L782 PolarHBondContact O-N 2.98Å
779	E	60.2	Low	58.1	Low	142 Å²	142	96.9 Å²	96.9	66%	0.664	47%	0.474	S	S	*	.	H	α-helix	trans	-66.2	-44.3	175	-168.1	170.7	166.5	0	0	112.7	E777 L781 L782 M783	E777-E779 PolarHBondContact O-N 3.07Å; E779-L781 VanDerWaalsContact C-N 3.29Å; E779-L781 PolarHBondContact O-N 3.02Å; E779-L782 PolarHBondContact O-N 3.01Å; E779-M783 WeakPolarHBondContact O-CB 3.2Å; E779-M783 WeakPolarHBondContact O-CG 3.38Å; E779-M783 PolarHBondContact O-N 2.97Å
780	E	62.5	Low	57.8	Low	109 Å²	109	101.1 Å²	101.1	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-38.8	174.7	-67.4	-166.3	146.2	0	0	111.6	V776 E777 A784	V776-E780 HydrophobicContact CG1-CB 3.92Å; E777-E780 PolarHBondContact O-N 3.38Å; E780-A784 VanDerWaalsContact O-CB 3.31Å; E780-A784 WeakPolarHBondContact O-CB 3.04Å; E780-A784 PolarHBondContact O-N 3.31Å
781	L	60.7	Low	57.4	Low	36 Å²	36	102.4 Å²	102.4	19%	0.188	49%	0.491	C	S	.	.	H	α-helix	trans	-68.8	-39.6	179.1	-120.4	160.5	0	0	0	111.7	Y767 L771 V776 E777 S778 E779 A785	Y767-L781 HydrophobicContact CD2-CD2 4.18Å; Y767-L781 HydrophobicContact CE2-CD2 3.59Å; L771-L781 HydrophobicContact CD2-CD1 4.44Å; L771-L781 HydrophobicContact CD2-CD2 4.34Å; V776-L781 HydrophobicContact CB-CD1 4.19Å; V776-L781 HydrophobicContact CG1-CB 4.16Å; V776-L781 HydrophobicContact CG1-CD1 3.89Å; V776-L781 HydrophobicContact CG1-CG 3.94Å; E777-L781 PolarHBondContact O-N 2.77Å; S778-L781 PolarHBondContact O-N 3.32Å; E779-L781 VanDerWaalsContact C-N 3.29Å; E779-L781 PolarHBondContact O-N 3.02Å; L781-A785 WeakPolarHBondContact O-CB 3.48Å; L781-A785 PolarHBondContact O-N 2.97Å; L781-A785 VanDerWaalsContact O-N 3.07Å
782	L	57.4	Low	56.8	Low	78 Å²	78	106.8 Å²	106.8	41%	0.408	51%	0.507	S	S	.	.	H	α-helix	trans	-68.4	-43.2	173.2	-77.8	164.6	0	0	0	112.1	S778 E779 A785 A786	S778-L782 WeakPolarHBondContact O-CB 2.99Å; S778-L782 WeakPolarHBondContact O-CD1 3.42Å; S778-L782 VanDerWaalsContact O-CG 3.3Å; S778-L782 WeakPolarHBondContact O-CG 3.34Å; S778-L782 PolarHBondContact O-N 2.98Å; E779-L782 PolarHBondContact O-N 3.01Å; L782-A785 PolarHBondContact O-N 3.14Å; L782-A786 WeakPolarHBondContact O-CB 3.4Å; L782-A786 PolarHBondContact O-N 3.35Å
783	M	60.8	Low	56.2	Low	75 Å²	75	100.1 Å²	100.1	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-48.1	175.2	-74.4	-75.9	-77.6	0	0	111.4	E779 A785 A786 E787 N798 L799	E779-M783 WeakPolarHBondContact O-CB 3.2Å; E779-M783 WeakPolarHBondContact O-CG 3.38Å; E779-M783 PolarHBondContact O-N 2.97Å; M783-A785 VanDerWaalsContact C-N 3.33Å; M783-A785 PolarHBondContact O-N 3.49Å; M783-A786 PolarHBondContact O-N 3.09Å; M783-E787 WeakPolarHBondContact O-CB 3.22Å; M783-E787 PolarHBondContact O-N 3.38Å; M783-N798 HydrophobicContact CE-CB 4.29Å; M783-L799 HydrophobicContact CB-CD1 4.4Å; M783-L799 HydrophobicContact CG-CD1 3.94Å; M783-L799 HydrophobicContact SD-CB 4.04Å; M783-L799 HydrophobicContact SD-CD1 3.42Å; M783-L799 WeakPolarHBondContact SD-CD1 3.31Å; M783-L799 HydrophobicContact SD-CG 4.38Å
784	A	60.5	Low	55.5	Low	31 Å²	31	97.6 Å²	97.6	26%	0.256	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-36.1	177.8	0	0	0	0	0	112.8	M770 E780 F788	M770-A784 HydrophobicContact CE-CB 3.71Å; M770-A784 HydrophobicContact SD-CB 3.7Å; E780-A784 VanDerWaalsContact O-CB 3.31Å; E780-A784 WeakPolarHBondContact O-CB 3.04Å; E780-A784 PolarHBondContact O-N 3.31Å; A784-F788 WeakPolarHBondContact O-CB 3.13Å; A784-F788 PolarHBondContact O-N 2.94Å; A784-F788 VanDerWaalsContact O-N 3.13Å
785	A	57.9	Low	55.3	Low	13 Å²	13	95.5 Å²	95.5	11%	0.107	48%	0.477	C	S	.	.	H	α-helix	trans	-66.9	-48	172.3	0	0	0	0	0	111.6	L781 L782 M783 E787 F788 Y789	L781-A785 WeakPolarHBondContact O-CB 3.48Å; L781-A785 PolarHBondContact O-N 2.97Å; L781-A785 VanDerWaalsContact O-N 3.07Å; L782-A785 PolarHBondContact O-N 3.14Å; M783-A785 VanDerWaalsContact C-N 3.33Å; M783-A785 PolarHBondContact O-N 3.49Å; A785-E787 PolarHBondContact O-N 2.93Å; A785-F788 PolarHBondContact O-N 3.37Å; A785-Y789 HydrophobicContact CB-CD2 4.41Å; A785-Y789 HydrophobicContact CB-CE2 4.27Å; A785-Y789 WeakPolarHBondContact O-CD2 3.3Å; A785-Y789 PolarHBondContact O-N 3.49Å
786	A	58.3	Low	54.9	Low	11 Å²	11	91.1 Å²	91.1	9%	0.091	47%	0.47	C	S	.	.	H	α-helix	trans	-60.8	-42.9	180	0	0	0	0	0	112.3	L782 M783 Y789 R790 I791 L799	L782-A786 WeakPolarHBondContact O-CB 3.4Å; L782-A786 PolarHBondContact O-N 3.35Å; M783-A786 PolarHBondContact O-N 3.09Å; A786-Y789 PolarHBondContact O-N 3.02Å; A786-R790 WeakPolarHBondContact O-CA 3.49Å; A786-R790 PolarHBondContact O-N 2.97Å; A786-I791 HydrophobicContact CB-CB 4.31Å; A786-I791 PolarHBondContact O-N 3.39Å; A786-L799 HydrophobicContact CB-CD1 3.54Å; A786-L799 HydrophobicContact CB-CG 4.09Å
787	E	61	Low	54	Low	141 Å²	141	97.6 Å²	97.6	66%	0.659	50%	0.499	S	S	*	.	H	α-helix	trans	-63.6	-42.9	175	-174	169.8	-163.1	0	0	111.6	M783 A785 R790	M783-E787 WeakPolarHBondContact O-CB 3.22Å; M783-E787 PolarHBondContact O-N 3.38Å; A785-E787 PolarHBondContact O-N 2.93Å; E787-R790 PolarHBondContact O-N 3.44Å
788	F	59.9	Low	52.9	Low	111 Å²	111	95.5 Å²	95.5	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176.6	-179.5	-107.6	0	0	0	113	N764 A784 A785 R790	N764-F788 HydrophobicContact CB-CE1 4.33Å; N764-F788 HydrophobicContact CB-CE2 4.32Å; N764-F788 HydrophobicContact CB-CZ 4Å; N764-F788 WeakPolarHBondContact ND2-CD2 3.36Å; N764-F788 WeakPolarHBondContact ND2-CE2 3.35Å; N764-F788 VanDerWaalsContact ND2-CG 3.34Å; N764-F788 WeakPolarHBondContact ND2-CG 3.33Å; A784-F788 WeakPolarHBondContact O-CB 3.13Å; A784-F788 PolarHBondContact O-N 2.94Å; A784-F788 VanDerWaalsContact O-N 3.13Å; A785-F788 PolarHBondContact O-N 3.37Å; F788-R790 VanDerWaalsContact C-N 3.27Å; F788-R790 PolarHBondContact O-N 3.21Å
789	Y	55.1	Low	52.1	Low	87 Å²	87	96.8 Å²	96.8	34%	0.341	49%	0.492	S	S	.	.	H	α-helix	trans	-80.7	-3	176.8	-63.5	-62.6	0	0	0	113.9	I736 F762 A785 A786 I791	I736-Y789 HydrophobicContact CD1-CD2 4.17Å; I736-Y789 HydrophobicContact CD1-CE2 3.58Å; F762-Y789 HydrophobicContact CE1-CE1 4.15Å; F762-Y789 AromaticContact CE1-CZ 3.95Å; F762-Y789 WeakPolarHBondContact CE1-OH 3.31Å; F762-Y789 HydrophobicContact CZ-CE1 4.18Å; F762-Y789 WeakPolarHBondContact CZ-OH 3.33Å; A785-Y789 HydrophobicContact CB-CD2 4.41Å; A785-Y789 HydrophobicContact CB-CE2 4.27Å; A785-Y789 WeakPolarHBondContact O-CD2 3.3Å; A785-Y789 PolarHBondContact O-N 3.49Å; A786-Y789 PolarHBondContact O-N 3.02Å; Y789-I791 VanDerWaalsContact C-N 3.26Å; Y789-I791 PolarHBondContact O-N 3.22Å
790	R	54.5	Low	51.7	Low	216 Å²	216	94.6 Å²	94.6	82%	0.815	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	37.1	-176.6	-55.4	177.9	173.3	-179.7	-2.6	113.5	A786 E787 F788 K792	A786-R790 WeakPolarHBondContact O-CA 3.49Å; A786-R790 PolarHBondContact O-N 2.97Å; E787-R790 PolarHBondContact O-N 3.44Å; F788-R790 VanDerWaalsContact C-N 3.27Å; F788-R790 PolarHBondContact O-N 3.21Å; R790-K792 PolarHBondContact O-N 3Å
791	I	48.5	Very low	51.1	Low	60 Å²	60	93.8 Å²	93.8	31%	0.308	48%	0.482	S	S	.	.			trans	-67.2	129.6	172.7	-56.6	176.2	0	0	0	107.2	L731 A786 Y789	L731-I791 HydrophobicContact CD2-CD1 4.07Å; L731-I791 HydrophobicContact CD2-CG1 4.37Å; A786-I791 HydrophobicContact CB-CB 4.31Å; A786-I791 PolarHBondContact O-N 3.39Å; Y789-I791 VanDerWaalsContact C-N 3.26Å; Y789-I791 PolarHBondContact O-N 3.22Å
792	K	42.5	Very low	50.6	Low	188 Å²	188	97 Å²	97	82%	0.817	50%	0.498	S	S	*	.			trans	-107.9	122.5	179.1	-69.2	-172	174.8	-170.8	0	109.8	R790	R790-K792 PolarHBondContact O-N 3Å
793	G	45	Very low	50.2	Low	12 Å²	12	98.1 Å²	98.1	12%	0.124	50%	0.503	C	S	.	.			trans	-63.4	163	171.9	0	0	0	0	0	112.7	D795 L799	G793-D795 VanDerWaalsContact C-N 3.28Å; G793-D795 PolarHBondContact O-N 3.16Å; G793-L799 VanDerWaalsContact CA-OXT 3.3Å; G793-L799 WeakPolarHBondContact CA-OXT 3.43Å
794	V	48.2	Very low	49.5	Very low	118 Å²	118	99.6 Å²	99.6	72%	0.715	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.1	-171.8	177.5	0	0	0	0	112.7
795	D	45.6	Very low	48.8	Very low	149 Å²	149	104.1 Å²	104.1	80%	0.797	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	6	-171.7	-62.2	-53	0	0	0	114.1	G793 E797	G793-D795 VanDerWaalsContact C-N 3.28Å; G793-D795 PolarHBondContact O-N 3.16Å; D795-E797 PolarHBondContact O-N 3.2Å
796	G	42.8	Very low	48.1	Very low	71 Å²	71	110.6 Å²	110.6	73%	0.732	56%	0.559	S	S	*	*	S	Bend	trans	79.6	-0.1	-176.8	0	0	0	0	0	114.8
797	E	37.6	Very low	47.3	Very low	161 Å²	161	118.3 Å²	118.3	75%	0.752	60%	0.595	S	S	*	*	S	Bend	trans	-87.9	152	159.4	-58.7	-167.8	154.9	0	0	109.5	D795 L799	D795-E797 PolarHBondContact O-N 3.2Å; E797-L799 PolarHBondContact O-N 3.04Å
798	N	35.8	Very low	46.2	Very low	105 Å²	105	116.4 Å²	116.4	56%	0.561	59%	0.589	S	S	*	*			trans	-79	109.5	172	-62.5	-21.6	0	0	0	106.6	M783	M783-N798 HydrophobicContact CE-CB 4.29Å
799	L	39	Very low	45	Very low	119 Å²	119	116.9 Å²	116.9	62%	0.623	60%	0.599	S	S	*	*				-155	0	67	-166.5	124.5	0	0	0	111.7	M783 A786 G793 E797	M783-L799 HydrophobicContact CB-CD1 4.4Å; M783-L799 HydrophobicContact CG-CD1 3.94Å; M783-L799 HydrophobicContact SD-CB 4.04Å; M783-L799 HydrophobicContact SD-CD1 3.42Å; M783-L799 WeakPolarHBondContact SD-CD1 3.31Å; M783-L799 HydrophobicContact SD-CG 4.38Å; A786-L799 HydrophobicContact CB-CD1 3.54Å; A786-L799 HydrophobicContact CB-CG 4.09Å; G793-L799 VanDerWaalsContact CA-OXT 3.3Å; G793-L799 WeakPolarHBondContact CA-OXT 3.43Å; E797-L799 PolarHBondContact O-N 3.04Å

Retrieved 799 of 799 residues in 110.3 ms (Link to these results)

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