A0A077ZHA3_TRITR Loading...

TMP-TENI and Radical SAM and ThiG and ThiF and BA TS and ThiC and MoeZ MoeB domain containing protein

Catalyzes the rearrangement of 1-deoxy-D-xylulose 5-phosphate (DXP) to produce the thiazole phosphate moiety of thiamine. Sulfur is provided by the thiocarboxylate moiety of the carrier protein ThiS. In vitro, sulfur can be provided by H(2)S.

AlphaFold DB , UniProt , Accession A0A077ZHA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,429 aa.

						>A0A077ZHA3_TRITR|A0A077ZHA3
MDLSTGRYIHETREWILRNSPVPIGTVPIYQALEKVNGIAEDLTWEAFRDTLLEQAEQGVDYFTIHAGVLLRYVPMTAKRLTGIVSRGGSIMAKWCLSHHQENFLYQHFREICEICAAYDVSLSLGDGLRPGSIQDANDEAQFAELHTLGELTKIAWEYDVQVMIEGPGHVPMQMIRRNMTEELEHCHEAPFYTLGPLTTDIAPGYDHFTSGIGAAMIGWFGCAMLCYVTPKEHLGLPNKEDVKQGLITYKIAAHAADLAKGHPGAQIRDNAMSKARFEFRWEDQFNLALDPFTARAYHDETLPQESGKVAHFCSMCGPKFCSMKISQEVRDYAATQTIEMGMADMSENFRARGGEIYLRLYPVVDSVQWIERLLDAGVRTLQLRIKDRRDEEVEADVMAAIALGRRYNARLFINDYWRLAIKHQAYGVHLGQEDLQTTDLSAIRAAGLRLGVSTHDDMEIDVALAARPSYIALGHVFPTQTKQMPSAPQGLEQLARHVERLADYPTVAIGGISLARAPAPQTGVWQRHSCWKLQELAMNDRDFMRYSRQILLDDIALDGQQKLLDSQVLIIGLGGLGTPAALYLAGAGVGTLVLADDDDVHLSNLQRQILFTTEDIDRPKSQVSHQRLTQLNPDIQLTALHQRLTGEALKDAVAQADVVLDCTDNMATRQEINAACVALNTPLITASAVGFGGQLMVLTPPWEQGCYRCLWPDNQEPERNCRTAGVVGPVVGVMGTLQALEAIKLLSGIETPAGELRLFDGKSSQWRSLALRRASGCPCAAGQTVHELLEQLDQRQAGAALAINQQIVPREQLLQGVEMLRIADKTFDSHLFTGTGKFASSQLMVEAIRASGSQLVTLAMKRVDLRQHNDAILEPLIAAGVTLLPNTSGAKTAEEAIFAAHLAREALGTNWLKLEIHPDARWLLPDPIETLKAAETLVQQGFVVLPYCGADPVLCKRLEEVGCAAVMPLGAPIGSNQGLETRAMLEIIIQQATVPVVVDAGIGVPSHAAQALEMGADAVLVNTAIAVADDPVNMAKAFRLAPADRISGGIGMKTFSDRWRQLDWDDIRLRINGKTAADVEWALNASQLTRDDMMALLSPAASGYLEQLAQRAQRLTRQRFGNTVSFYVPLYLSNLCANDCTYCGFSMSNRIKRKTLDEADIARESAAIREMGFEHLLLVTGEHQAKVGMDYFRRHLPALREQFSSLQMEVQPLAEAEYAELKQLGLDGVMVYQETYHEATYARHHLKGKKQDFFWRLETPDRLGRAGIDKIGLGALIGLSDNWRVDCYMVAEHLLWLQQHYWQSRYSVSFPRLRPCTGGIEPASIMDERQLVQTICAFRLLAPEIELSLSTRESPWFRDRVIPLAINNVSAFSKTQPGGYADNHPELEQFSPHDDRRPEAVAAALTAQGLQPVWKDWDSYLGRASQRP
					

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	95.4	Very high	92.5	Very high	73 Å²	73	77.5 Å²	77.5	36%	0.36	38%	0.381	S	S	.	.				0	142.4	0	-63.6	179.7	78.2	0	0	109.9	L3 G25 V27 Y62 T64 Y193	M1-L3 HydrophobicContact CB-CD2 4.02Å; M1-L3 HydrophobicContact CB-CG 4.14Å; M1-L3 HydrophobicContact CE-CD2 4.02Å; M1-G25 CarbonylContact C-O 3.51Å; M1-G25 WeakPolarHBondContact CA-O 3.42Å; M1-G25 WeakPolarHBondContact CB-O 3.44Å; M1-V27 HydrophobicContact CE-CG2 4.16Å; M1-Y62 HydrophobicContact CE-CE2 3.89Å; M1-Y62 HydrophobicContact CG-CE2 3.82Å; M1-Y62 WeakPolarHBondContact CG-OH 3.19Å; M1-Y62 HydrophobicContact SD-CE2 3.96Å; M1-T64 WeakPolarHBondContact CE-OG1 3.47Å; M1-Y193 HydrophobicContact SD-CE1 4.23Å; M1-Y193 PolarHBondContact SD-OH 3.42Å; M1-Y193 VanDerWaalsContact SD-OH 3.38Å
2	D	96.4	Very high	92.7	Very high	13 Å²	13	75.9 Å²	75.9	7%	0.07	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-93.9	114.5	164.5	177.5	15.6	0	0	0	109.4	S4 R13 I16 I24 G25	D2-S4 VanDerWaalsContact OD1-CB 3.23Å; D2-S4 WeakPolarHBondContact OD1-CB 3.16Å; D2-S4 PolarHBondContact OD1-N 3.37Å; D2-S4 PolarHBondContact OD1-OG 2.64Å; D2-R13 WeakPolarHBondContact OD2-CA 3.39Å; D2-R13 WeakPolarHBondContact OD2-CB 3.43Å; D2-I16 HydrophobicContact CB-CD1 4.2Å; D2-I24 HydrophobicContact CB-CG2 4.47Å; D2-G25 PolarHBondContact N-O 2.95Å
3	L	94.7	Very high	93.1	Very high	86 Å²	86	70.5 Å²	70.5	45%	0.45	35%	0.351	S	S	.	.			trans	-111.9	23.5	-177.4	-56.9	-179.6	0	0	0	112	M1 V27 Y30	M1-L3 HydrophobicContact CB-CD2 4.02Å; M1-L3 HydrophobicContact CB-CG 4.14Å; M1-L3 HydrophobicContact CE-CD2 4.02Å; L3-V27 HydrophobicContact CD2-CG2 3.62Å; L3-Y30 HydrophobicContact CD2-CE2 4.38Å
4	S	92.3	Very high	93.4	Very high	37 Å²	37	69.9 Å²	69.9	26%	0.259	35%	0.347	S	S	.	.			trans	-53.7	139.4	-179.9	-65.4	0	0	0	0	112.3	D2	D2-S4 VanDerWaalsContact OD1-CB 3.23Å; D2-S4 WeakPolarHBondContact OD1-CB 3.16Å; D2-S4 PolarHBondContact OD1-N 3.37Å; D2-S4 PolarHBondContact OD1-OG 2.64Å
5	T	88.9	Confident	93.6	Very high	83 Å²	83	78 Å²	78	51%	0.509	37%	0.372	S	S	.	.			trans	-134.6	147.9	175.6	55.4	0	0	0	0	110.2	Y30 R87	T5-Y30 HydrophobicContact CG2-CD2 4.23Å; T5-Y30 HydrophobicContact CG2-CG 4.4Å; T5-R87 VanDerWaalsContact CG2-NH1 3.28Å
6	G	85.5	Confident	93.8	Very high	38 Å²	38	77.1 Å²	77.1	39%	0.392	37%	0.369	S	S	.	.	S	Bend	trans	96.9	-145	-179	0	0	0	0	0	112	I9 E34	G6-I9 WeakPolarHBondContact O-CD1 3.38Å; G6-I9 VanDerWaalsContact O-CG1 3.31Å; G6-I9 WeakPolarHBondContact O-CG1 3.25Å; G6-E34 WeakPolarHBondContact O-CG 3.31Å
7	R	86.5	Confident	93.9	Very high	199 Å²	199	73.5 Å²	73.5	75%	0.751	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	152.5	-176.1	-63.1	-176.3	-179.9	-179.9	0.2	111.5	I9	R7-I9 VanDerWaalsContact C-N 3.35Å; R7-I9 PolarHBondContact O-N 2.77Å
8	Y	92.4	Very high	94.1	Very high	149 Å²	149	76.8 Å²	76.8	58%	0.584	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	27.9	171.6	-43	-68.9	0	0	0	115.4	E11 T12	Y8-E11 VanDerWaalsContact CA-OE2 3.23Å; Y8-E11 WeakPolarHBondContact CA-OE2 3.32Å; Y8-T12 VanDerWaalsContact O-CB 3.25Å; Y8-T12 WeakPolarHBondContact O-CB 3.36Å; Y8-T12 PolarHBondContact O-N 3.46Å; Y8-T12 PolarHBondContact O-OG1 3.4Å
9	I	94.7	Very high	94.2	Very high	9 Å²	9	78.9 Å²	78.9	5%	0.046	38%	0.375	C	S	.	.	H	α-helix	trans	-58.8	-48.2	177.7	-64.3	168.2	0	0	0	110.3	G6 R7 R13 Q31 E34	G6-I9 WeakPolarHBondContact O-CD1 3.38Å; G6-I9 VanDerWaalsContact O-CG1 3.31Å; G6-I9 WeakPolarHBondContact O-CG1 3.25Å; R7-I9 VanDerWaalsContact C-N 3.35Å; R7-I9 PolarHBondContact O-N 2.77Å; I9-R13 WeakPolarHBondContact O-CB 3.47Å; I9-R13 PolarHBondContact O-N 3.02Å; I9-R13 VanDerWaalsContact O-N 3.07Å; I9-Q31 HydrophobicContact CD1-CB 4.48Å; I9-Q31 HydrophobicContact CG2-CB 4.35Å; I9-Q31 HydrophobicContact CG2-CG 4.48Å; I9-E34 HydrophobicContact CD1-CB 4.22Å; I9-E34 HydrophobicContact CD1-CG 4.37Å
10	H	95.1	Very high	94.2	Very high	70 Å²	70	76.8 Å²	76.8	32%	0.324	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-50.6	-178.1	177.8	94.4	0	0	0	112	R13 E14 E54 Q58	H10-R13 PolarHBondContact O-N 2.88Å; H10-E14 PolarHBondContact O-N 3.38Å; H10-E54 IonicContact CE1-OE1 2.74Å; H10-E54 IonicContact CG-OE1 3.5Å; H10-E54 IonicContact ND1-OE1 3.56Å; H10-E54 PolarHBondContact ND1-OE1 3.09Å; H10-Q58 PolarHBondContact O-NE2 3.04Å
11	E	95.5	Very high	94.2	Very high	96 Å²	96	79.3 Å²	79.3	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-68.6	-39	-176.3	-58.7	94.1	137.1	0	0	111.6	Y8 E14 W15	Y8-E11 VanDerWaalsContact CA-OE2 3.23Å; Y8-E11 WeakPolarHBondContact CA-OE2 3.32Å; E11-E14 PolarHBondContact O-N 3.14Å; E11-W15 VanDerWaalsContact O-CD1 3.22Å; E11-W15 PolarHBondContact O-N 2.97Å
12	T	95.1	Very high	94.3	Very high	58 Å²	58	80.2 Å²	80.2	36%	0.356	40%	0.401	S	S	.	.	H	α-helix	trans	-62.1	-46	176.2	-59.2	0	0	0	0	110.7	Y8 E14 W15 I16	Y8-T12 VanDerWaalsContact O-CB 3.25Å; Y8-T12 WeakPolarHBondContact O-CB 3.36Å; Y8-T12 PolarHBondContact O-N 3.46Å; Y8-T12 PolarHBondContact O-OG1 3.4Å; T12-E14 VanDerWaalsContact C-N 3.34Å; T12-E14 PolarHBondContact O-N 3.24Å; T12-W15 PolarHBondContact O-N 2.95Å; T12-I16 HydrophobicContact CG2-CD1 4.13Å; T12-I16 WeakPolarHBondContact O-CG1 3.44Å; T12-I16 PolarHBondContact O-N 3.45Å
13	R	97.9	Very high	94.3	Very high	5 Å²	5	83.7 Å²	83.7	2%	0.019	42%	0.424	C	S	.	.	H	α-helix	trans	-63.5	-38.1	178.7	-172	165.4	51.2	-134.2	-9.9	112.9	D2 I9 H10 W15 I16 L17 Q55 Q58	D2-R13 WeakPolarHBondContact OD2-CA 3.39Å; D2-R13 WeakPolarHBondContact OD2-CB 3.43Å; I9-R13 WeakPolarHBondContact O-CB 3.47Å; I9-R13 PolarHBondContact O-N 3.02Å; I9-R13 VanDerWaalsContact O-N 3.07Å; H10-R13 PolarHBondContact O-N 2.88Å; R13-W15 VanDerWaalsContact C-N 3.32Å; R13-W15 PolarHBondContact O-N 3.29Å; R13-I16 PolarHBondContact O-N 3.21Å; R13-I16 VanDerWaalsContact O-N 3.15Å; R13-L17 HydrophobicContact CG-CD1 3.72Å; R13-L17 HydrophobicContact CG-CG 4.24Å; R13-L17 WeakPolarHBondContact O-CB 3.34Å; R13-L17 WeakPolarHBondContact O-CG 3.28Å; R13-L17 PolarHBondContact O-N 2.88Å; R13-Q55 VanDerWaalsContact CZ-CG 3.48Å; R13-Q58 VanDerWaalsContact CZ-OE1 3.28Å
14	E	96.9	Very high	94.5	Very high	62 Å²	62	80.2 Å²	80.2	29%	0.29	41%	0.405	S	S	.	.	H	α-helix	trans	-56.9	-47.2	176.2	-172.1	58.2	-146.1	0	0	111	H10 E11 T12 I16 L17 R18 Q58	H10-E14 PolarHBondContact O-N 3.38Å; E11-E14 PolarHBondContact O-N 3.14Å; T12-E14 VanDerWaalsContact C-N 3.34Å; T12-E14 PolarHBondContact O-N 3.24Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 2.95Å; E14-L17 PolarHBondContact O-N 2.8Å; E14-R18 VanDerWaalsContact O-CG 3.25Å; E14-R18 WeakPolarHBondContact O-CG 3.41Å; E14-R18 PolarHBondContact O-N 3.31Å; E14-R18 VanDerWaalsContact O-N 3.1Å; E14-R18 WeakPolarHBondContact OE1-CG 3.25Å; E14-R18 IonicContact OE1-CZ 2.76Å; E14-R18 IonicContact OE1-NH1 3.78Å; E14-R18 PolarHBondContact OE1-NH1 3.37Å; E14-R18 IonicContact OE2-NH1 3.58Å; E14-R18 PolarHBondContact OE2-NH1 2.89Å; E14-Q58 PolarHBondContact OE2-NE2 3.18Å
15	W	96.5	Very high	94.7	Very high	192 Å²	192	78.4 Å²	78.4	73%	0.727	39%	0.393	S	S	*	.	H	α-helix	trans	-62.7	-39.6	176.4	-77.9	104.7	0	0	0	112.9	E11 T12 R13 N19	E11-W15 VanDerWaalsContact O-CD1 3.22Å; E11-W15 PolarHBondContact O-N 2.97Å; T12-W15 PolarHBondContact O-N 2.95Å; R13-W15 VanDerWaalsContact C-N 3.32Å; R13-W15 PolarHBondContact O-N 3.29Å; W15-N19 WeakPolarHBondContact O-CB 3.47Å; W15-N19 PolarHBondContact O-N 3.29Å; W15-N19 PolarHBondContact O-ND2 2.73Å
16	I	96.7	Very high	95.1	Very high	63 Å²	63	74.5 Å²	74.5	32%	0.323	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-50.8	178.4	-67.6	168.8	0	0	0	110.2	D2 T12 R13 E14 R18 N19 S20 I24	D2-I16 HydrophobicContact CB-CD1 4.2Å; T12-I16 HydrophobicContact CG2-CD1 4.13Å; T12-I16 WeakPolarHBondContact O-CG1 3.44Å; T12-I16 PolarHBondContact O-N 3.45Å; R13-I16 PolarHBondContact O-N 3.21Å; R13-I16 VanDerWaalsContact O-N 3.15Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 2.95Å; I16-R18 PolarHBondContact O-N 3.3Å; I16-N19 CarbonylContact O-C 3.28Å; I16-N19 PolarHBondContact O-N 3.34Å; I16-N19 VanDerWaalsContact O-N 3.11Å; I16-S20 VanDerWaalsContact O-CB 3.31Å; I16-S20 WeakPolarHBondContact O-CB 3.27Å; I16-S20 PolarHBondContact O-N 3.24Å; I16-I24 HydrophobicContact CG2-CD1 3.73Å; I16-I24 HydrophobicContact CG2-CG1 4.15Å
17	L	96.3	Very high	95.7	Very high	16 Å²	16	73.1 Å²	73.1	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-41.8	-176.6	-78.4	166.5	0	0	0	112.6	R13 E14 N19 I24 Q58 G59 V60	R13-L17 HydrophobicContact CG-CD1 3.72Å; R13-L17 HydrophobicContact CG-CG 4.24Å; R13-L17 WeakPolarHBondContact O-CB 3.34Å; R13-L17 WeakPolarHBondContact O-CG 3.28Å; R13-L17 PolarHBondContact O-N 2.88Å; E14-L17 PolarHBondContact O-N 2.8Å; L17-N19 PolarHBondContact O-N 2.91Å; L17-I24 HydrophobicContact CD2-CB 3.58Å; L17-I24 HydrophobicContact CD2-CG1 3.8Å; L17-I24 HydrophobicContact CD2-CG2 3.86Å; L17-I24 HydrophobicContact CG-CB 4.47Å; L17-I24 HydrophobicContact CG-CG2 4.31Å; L17-Q58 HydrophobicContact CD1-CB 3.66Å; L17-Q58 WeakPolarHBondContact CD1-O 3.5Å; L17-G59 VanDerWaalsContact CD2-O 3.26Å; L17-G59 WeakPolarHBondContact CD2-O 3.41Å; L17-V60 HydrophobicContact CD1-CG2 4.09Å
18	R	96.7	Very high	96.3	Very high	134 Å²	134	63.7 Å²	63.7	51%	0.506	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-14.9	178.5	-59.4	-62.6	78.1	80.9	-4.5	113.8	E14 I16 Q58	E14-R18 VanDerWaalsContact O-CG 3.25Å; E14-R18 WeakPolarHBondContact O-CG 3.41Å; E14-R18 PolarHBondContact O-N 3.31Å; E14-R18 VanDerWaalsContact O-N 3.1Å; E14-R18 WeakPolarHBondContact OE1-CG 3.25Å; E14-R18 IonicContact OE1-CZ 2.76Å; E14-R18 IonicContact OE1-NH1 3.78Å; E14-R18 PolarHBondContact OE1-NH1 3.37Å; E14-R18 IonicContact OE2-NH1 3.58Å; E14-R18 PolarHBondContact OE2-NH1 2.89Å; I16-R18 PolarHBondContact O-N 3.3Å; R18-Q58 PolarHBondContact NH1-O 2.73Å; R18-Q58 PolarHBondContact NH2-O 3.45Å
19	N	96.6	Very high	96.5	Very high	117 Å²	117	56.7 Å²	56.7	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-117.3	1.6	-177.7	-69.1	-84.4	0	0	0	114	W15 I16 L17 P21	W15-N19 WeakPolarHBondContact O-CB 3.47Å; W15-N19 PolarHBondContact O-N 3.29Å; W15-N19 PolarHBondContact O-ND2 2.73Å; I16-N19 CarbonylContact O-C 3.28Å; I16-N19 PolarHBondContact O-N 3.34Å; I16-N19 VanDerWaalsContact O-N 3.11Å; L17-N19 PolarHBondContact O-N 2.91Å; N19-P21 WeakPolarHBondContact O-CD 3.41Å
20	S	94.8	Very high	96.6	Very high	35 Å²	35	57.6 Å²	57.6	25%	0.245	29%	0.293	C	S	.	.			trans	-95	121.7	-178.4	-173.3	0	0	0	0	111.4	I16 V22 I24	I16-S20 VanDerWaalsContact O-CB 3.31Å; I16-S20 WeakPolarHBondContact O-CB 3.27Å; I16-S20 PolarHBondContact O-N 3.24Å; S20-V22 WeakPolarHBondContact OG-CG2 3.26Å; S20-V22 PolarHBondContact OG-N 3.18Å; S20-V22 PolarHBondContact OG-O 2.97Å; S20-I24 WeakPolarHBondContact OG-CD1 3.34Å
21	P	94.4	Very high	96.7	Very high	131 Å²	131	54.9 Å²	54.9	85%	0.851	28%	0.281	S	S	*	.	S	Bend	trans	-84.3	3.3	167.4	35.3	-34.7	0	0	0	112.9	N19	N19-P21 WeakPolarHBondContact O-CD 3.41Å
22	V	96	Very high	96.8	Very high	92 Å²	92	50.3 Å²	50.3	56%	0.558	26%	0.259	S	S	*	.	S	Bend	trans	-120.2	155.6	-178.9	-61.7	0	0	0	0	110.9	S20 I24	S20-V22 WeakPolarHBondContact OG-CG2 3.26Å; S20-V22 PolarHBondContact OG-N 3.18Å; S20-V22 PolarHBondContact OG-O 2.97Å; V22-I24 PolarHBondContact O-N 3.46Å
23	P	97.1	Very high	96.8	Very high	85 Å²	85	49 Å²	49	55%	0.552	25%	0.25	S	S	*	.			trans	-57.7	136.9	177.2	-25.1	34.6	0	0	0	113.1	D61 Y62	P23-D61 VanDerWaalsContact CA-OD2 3.31Å; P23-D61 WeakPolarHBondContact CA-OD2 3.34Å; P23-D61 HydrophobicContact CB-CB 3.98Å; P23-Y62 HydrophobicContact CB-CE1 4.47Å
24	I	97.8	Very high	96.6	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.067	27%	0.268	C	S	.	.			trans	-112.9	112.3	178.1	-60.1	-57.1	0	0	0	109.1	D2 I16 L17 S20 V22 V60 D61	D2-I24 HydrophobicContact CB-CG2 4.47Å; I16-I24 HydrophobicContact CG2-CD1 3.73Å; I16-I24 HydrophobicContact CG2-CG1 4.15Å; L17-I24 HydrophobicContact CD2-CB 3.58Å; L17-I24 HydrophobicContact CD2-CG1 3.8Å; L17-I24 HydrophobicContact CD2-CG2 3.86Å; L17-I24 HydrophobicContact CG-CB 4.47Å; L17-I24 HydrophobicContact CG-CG2 4.31Å; S20-I24 WeakPolarHBondContact OG-CD1 3.34Å; V22-I24 PolarHBondContact O-N 3.46Å; I24-V60 WeakPolarHBondContact O-CG1 3.31Å; I24-D61 PolarHBondContact N-OD2 2.74Å; I24-D61 PolarHBondContact O-N 2.64Å
25	G	97.5	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	162.7	167.2	0	0	0	0	0	114.2	M1 D2 Y62	M1-G25 CarbonylContact C-O 3.51Å; M1-G25 WeakPolarHBondContact CA-O 3.42Å; M1-G25 WeakPolarHBondContact CB-O 3.44Å; D2-G25 PolarHBondContact N-O 2.95Å; G25-Y62 CarbonylContact C-O 3.37Å; G25-Y62 VanDerWaalsContact CA-CZ 3.45Å; G25-Y62 WeakPolarHBondContact CA-O 3.35Å; G25-Y62 VanDerWaalsContact N-CE1 3.29Å
26	T	98.2	Very high	96.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	172.2	179.3	64.4	0	0	0	0	111.9	Q55 V60 Y62 F63 T64	T26-Q55 VanDerWaalsContact CB-OE1 3.27Å; T26-Q55 PolarHBondContact OG1-OE1 3.4Å; T26-V60 HydrophobicContact CG2-CB 4.39Å; T26-V60 HydrophobicContact CG2-CG1 3.74Å; T26-V60 HydrophobicContact CG2-CG2 3.66Å; T26-Y62 PolarHBondContact N-O 2.92Å; T26-Y62 VanDerWaalsContact N-O 3.08Å; T26-F63 WeakPolarHBondContact OG1-CD1 3.25Å; T26-T64 PolarHBondContact O-N 2.87Å
27	V	98	Very high	96.1	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.055	26%	0.264	C	S	.	.			trans	-117.6	92.6	170	-175.3	0	0	0	0	108.1	M1 L3 I29 Y30 T64	M1-V27 HydrophobicContact CE-CG2 4.16Å; L3-V27 HydrophobicContact CD2-CG2 3.62Å; V27-I29 HydrophobicContact CG1-CG2 3.93Å; V27-I29 PolarHBondContact O-N 3.39Å; V27-Y30 HydrophobicContact CB-CD1 4.33Å; V27-Y30 HydrophobicContact CB-CD2 3.77Å; V27-Y30 HydrophobicContact CB-CE1 4.14Å; V27-Y30 HydrophobicContact CB-CE2 3.56Å; V27-Y30 HydrophobicContact CB-CG 4.13Å; V27-Y30 HydrophobicContact CG1-CD1 3.89Å; V27-Y30 HydrophobicContact CG1-CD2 4.22Å; V27-Y30 HydrophobicContact CG1-CE1 3.52Å; V27-Y30 HydrophobicContact CG1-CE2 3.9Å; V27-Y30 HydrophobicContact CG1-CG 4.19Å; V27-Y30 VanDerWaalsContact CG1-CZ 3.5Å; V27-Y30 HydrophobicContact CG2-CD2 4.37Å; V27-Y30 HydrophobicContact CG2-CE2 3.73Å; V27-Y30 PolarHBondContact O-N 2.92Å; V27-T64 HydrophobicContact CG2-CG2 4.19Å
28	P	98	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.7	-29.6	-168.2	-29.2	36.1	0	0	0	115.1	Y30 Q31 A32 F48 T51 L52 F63 T64	P28-Y30 PolarHBondContact O-N 3.39Å; P28-Y30 VanDerWaalsContact O-N 3.14Å; P28-Q31 PolarHBondContact O-N 2.89Å; P28-A32 PolarHBondContact O-N 3.23Å; P28-A32 VanDerWaalsContact O-N 3.11Å; P28-F48 HydrophobicContact CB-CE2 3.81Å; P28-F48 HydrophobicContact CB-CZ 4.08Å; P28-T51 HydrophobicContact CB-CG2 4.39Å; P28-T51 WeakPolarHBondContact O-CG2 3.07Å; P28-L52 HydrophobicContact CB-CD2 3.81Å; P28-L52 HydrophobicContact CG-CD2 3.72Å; P28-F63 HydrophobicContact CG-CB 3.98Å; P28-F63 HydrophobicContact CG-CD1 3.59Å; P28-F63 HydrophobicContact CG-CD2 4.46Å; P28-F63 HydrophobicContact CG-CE1 4.15Å; P28-F63 HydrophobicContact CG-CG 3.77Å; P28-T64 WeakPolarHBondContact CD-O 3.28Å
29	I	97.3	Very high	95.5	Very high	3 Å²	3	48 Å²	48	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-22.8	-179.8	-157.9	68.1	0	0	0	112.7	V27 A32 L33 L43 F48 I91 M92 F104	V27-I29 HydrophobicContact CG1-CG2 3.93Å; V27-I29 PolarHBondContact O-N 3.39Å; I29-A32 HydrophobicContact CD1-CB 4.38Å; I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 PolarHBondContact O-N 2.94Å; I29-L43 HydrophobicContact CD1-CD1 3.98Å; I29-L43 HydrophobicContact CD1-CD2 4.21Å; I29-L43 HydrophobicContact CG1-CD1 4.31Å; I29-F48 HydrophobicContact CB-CE2 4.07Å; I29-F48 HydrophobicContact CD1-CD2 3.59Å; I29-F48 HydrophobicContact CD1-CE2 3.87Å; I29-I91 HydrophobicContact CG1-CG2 3.91Å; I29-I91 HydrophobicContact CG2-CD1 4.26Å; I29-M92 HydrophobicContact CD1-SD 3.86Å; I29-M92 HydrophobicContact CG1-SD 4.02Å; I29-F104 HydrophobicContact CD1-CZ 4.1Å
30	Y	96.9	Very high	95.4	Very high	28 Å²	28	42.7 Å²	42.7	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-69	-39.9	178.1	-63.5	-8.1	0	0	0	112.4	L3 T5 V27 P28 E34 R87 I91	L3-Y30 HydrophobicContact CD2-CE2 4.38Å; T5-Y30 HydrophobicContact CG2-CD2 4.23Å; T5-Y30 HydrophobicContact CG2-CG 4.4Å; V27-Y30 HydrophobicContact CB-CD1 4.33Å; V27-Y30 HydrophobicContact CB-CD2 3.77Å; V27-Y30 HydrophobicContact CB-CE1 4.14Å; V27-Y30 HydrophobicContact CB-CE2 3.56Å; V27-Y30 HydrophobicContact CB-CG 4.13Å; V27-Y30 HydrophobicContact CG1-CD1 3.89Å; V27-Y30 HydrophobicContact CG1-CD2 4.22Å; V27-Y30 HydrophobicContact CG1-CE1 3.52Å; V27-Y30 HydrophobicContact CG1-CE2 3.9Å; V27-Y30 HydrophobicContact CG1-CG 4.19Å; V27-Y30 VanDerWaalsContact CG1-CZ 3.5Å; V27-Y30 HydrophobicContact CG2-CD2 4.37Å; V27-Y30 HydrophobicContact CG2-CE2 3.73Å; V27-Y30 PolarHBondContact O-N 2.92Å; P28-Y30 PolarHBondContact O-N 3.39Å; P28-Y30 VanDerWaalsContact O-N 3.14Å; Y30-E34 PolarHBondContact O-N 3.49Å; Y30-R87 HydrophobicContact CD1-CG 4.32Å; Y30-R87 HydrophobicContact CE1-CB 3.93Å; Y30-R87 HydrophobicContact CE1-CG 3.64Å; Y30-I91 HydrophobicContact CD1-CD1 4.14Å; Y30-I91 HydrophobicContact CE1-CD1 4.34Å
31	Q	96.9	Very high	95.3	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-76.1	-39.5	175.4	-177.4	178.4	11.8	0	0	111.1	I9 P28 L33 E34 K35 T51 E54	I9-Q31 HydrophobicContact CD1-CB 4.48Å; I9-Q31 HydrophobicContact CG2-CB 4.35Å; I9-Q31 HydrophobicContact CG2-CG 4.48Å; P28-Q31 PolarHBondContact O-N 2.89Å; Q31-L33 PolarHBondContact O-N 3.44Å; Q31-E34 WeakPolarHBondContact O-CB 3.19Å; Q31-E34 PolarHBondContact O-N 3.37Å; Q31-E34 VanDerWaalsContact O-N 3.09Å; Q31-K35 PolarHBondContact O-N 2.56Å; Q31-T51 HydrophobicContact CB-CG2 3.78Å; Q31-T51 HydrophobicContact CG-CG2 3.98Å; Q31-E54 VanDerWaalsContact NE2-CD 3.34Å; Q31-E54 PolarHBondContact NE2-OE1 2.79Å; Q31-E54 PolarHBondContact NE2-OE2 2.91Å
32	A	96.4	Very high	95.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-38.9	175.2	0	0	0	0	0	111.6	P28 I29 E34 K35 V36 L43 F48 T51	P28-A32 PolarHBondContact O-N 3.23Å; P28-A32 VanDerWaalsContact O-N 3.11Å; I29-A32 HydrophobicContact CD1-CB 4.38Å; A32-E34 VanDerWaalsContact C-N 3.34Å; A32-E34 PolarHBondContact O-N 2.87Å; A32-K35 WeakPolarHBondContact O-CB 3.5Å; A32-K35 PolarHBondContact O-N 2.85Å; A32-V36 PolarHBondContact O-N 3.24Å; A32-L43 HydrophobicContact CB-CD2 3.98Å; A32-F48 HydrophobicContact CB-CD2 4.1Å; A32-T51 HydrophobicContact CB-CG2 4.46Å
33	L	95.3	Very high	95.4	Very high	32 Å²	32	37.5 Å²	37.5	17%	0.168	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-36.8	175.2	-176.8	66.3	0	0	0	112.5	I29 Q31 V36 N37 G38 A40 L43 I91	I29-L33 WeakPolarHBondContact O-CB 3.34Å; I29-L33 PolarHBondContact O-N 2.94Å; Q31-L33 PolarHBondContact O-N 3.44Å; L33-V36 HydrophobicContact CD1-CG2 4.21Å; L33-V36 CarbonylContact O-C 3.14Å; L33-V36 VanDerWaalsContact O-CG2 3.28Å; L33-V36 WeakPolarHBondContact O-CG2 3.38Å; L33-V36 PolarHBondContact O-N 3.43Å; L33-N37 PolarHBondContact O-N 3.17Å; L33-G38 WeakPolarHBondContact O-CA 3.4Å; L33-G38 PolarHBondContact O-N 3.27Å; L33-A40 HydrophobicContact CD1-CB 4.18Å; L33-L43 HydrophobicContact CD1-CD1 4.23Å; L33-L43 HydrophobicContact CD1-CG 4.47Å; L33-I91 HydrophobicContact CD2-CD1 3.6Å; L33-I91 HydrophobicContact CD2-CG1 3.94Å
34	E	94.2	Very high	95.4	Very high	85 Å²	85	36.3 Å²	36.3	40%	0.397	20%	0.197	S	C	.	.	H	α-helix	trans	-65.9	-41.2	175.8	-162.9	-78	160.8	0	0	111.6	G6 I9 Y30 Q31 A32 V36 N37	G6-E34 WeakPolarHBondContact O-CG 3.31Å; I9-E34 HydrophobicContact CD1-CB 4.22Å; I9-E34 HydrophobicContact CD1-CG 4.37Å; Y30-E34 PolarHBondContact O-N 3.49Å; Q31-E34 WeakPolarHBondContact O-CB 3.19Å; Q31-E34 PolarHBondContact O-N 3.37Å; Q31-E34 VanDerWaalsContact O-N 3.09Å; A32-E34 VanDerWaalsContact C-N 3.34Å; A32-E34 PolarHBondContact O-N 2.87Å; E34-V36 PolarHBondContact O-N 2.91Å; E34-V36 VanDerWaalsContact O-N 3.11Å; E34-N37 PolarHBondContact O-N 3.3Å
35	K	94.1	Very high	95.4	Very high	80 Å²	80	36.6 Å²	36.6	35%	0.348	20%	0.198	S	C	.	.	H	α-helix	trans	-58.5	-25.3	175.5	-68.7	178.8	178	178.4	0	113.2	Q31 A32 T51 E54	Q31-K35 PolarHBondContact O-N 2.56Å; A32-K35 WeakPolarHBondContact O-CB 3.5Å; A32-K35 PolarHBondContact O-N 2.85Å; K35-T51 PolarHBondContact NZ-OG1 2.94Å; K35-E54 WeakPolarHBondContact CE-OE2 3.18Å; K35-E54 IonicContact NZ-OE2 3.47Å; K35-E54 PolarHBondContact NZ-OE2 2.97Å
36	V	94.7	Very high	95.3	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.115	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	28	175.4	-56.8	0	0	0	0	112.7	A32 L33 E34 G38 I39 D42 L43	A32-V36 PolarHBondContact O-N 3.24Å; L33-V36 HydrophobicContact CD1-CG2 4.21Å; L33-V36 CarbonylContact O-C 3.14Å; L33-V36 VanDerWaalsContact O-CG2 3.28Å; L33-V36 WeakPolarHBondContact O-CG2 3.38Å; L33-V36 PolarHBondContact O-N 3.43Å; E34-V36 PolarHBondContact O-N 2.91Å; E34-V36 VanDerWaalsContact O-N 3.11Å; V36-G38 PolarHBondContact O-N 3.27Å; V36-I39 VanDerWaalsContact CG2-O 3.25Å; V36-I39 WeakPolarHBondContact CG2-O 3.41Å; V36-I39 PolarHBondContact O-N 3.14Å; V36-I39 VanDerWaalsContact O-N 3.1Å; V36-D42 HydrophobicContact CB-CB 3.89Å; V36-D42 HydrophobicContact CG1-CB 4.35Å; V36-D42 WeakPolarHBondContact CG1-O 3.28Å; V36-D42 HydrophobicContact CG2-CB 4.4Å; V36-L43 HydrophobicContact CG2-CD2 3.82Å; V36-L43 HydrophobicContact CG2-CG 4Å
37	N	90.8	Very high	95.2	Very high	146 Å²	146	42.2 Å²	42.2	78%	0.781	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.8	174.8	-56.2	-68.1	0	0	0	114.8	L33 E34 I39	L33-N37 PolarHBondContact O-N 3.17Å; E34-N37 PolarHBondContact O-N 3.3Å; N37-I39 VanDerWaalsContact C-N 3.29Å; N37-I39 PolarHBondContact O-N 3.3Å
38	G	89.3	Confident	95.2	Very high	48 Å²	48	41.9 Å²	41.9	50%	0.495	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	3.9	-179.5	0	0	0	0	0	114.8	L33 V36 A40	L33-G38 WeakPolarHBondContact O-CA 3.4Å; L33-G38 PolarHBondContact O-N 3.27Å; V36-G38 PolarHBondContact O-N 3.27Å; G38-A40 PolarHBondContact O-N 3.37Å
39	I	92	Very high	95.2	Very high	72 Å²	72	45.9 Å²	45.9	37%	0.369	24%	0.241	S	C	.	.			trans	-91.5	100.6	-178.4	-55.7	174.7	0	0	0	108.5	V36 N37 E41 D42	V36-I39 VanDerWaalsContact CG2-O 3.25Å; V36-I39 WeakPolarHBondContact CG2-O 3.41Å; V36-I39 PolarHBondContact O-N 3.14Å; V36-I39 VanDerWaalsContact O-N 3.1Å; N37-I39 VanDerWaalsContact C-N 3.29Å; N37-I39 PolarHBondContact O-N 3.3Å; I39-E41 HydrophobicContact CG2-CB 4.13Å; I39-E41 WeakPolarHBondContact CG2-OE2 3.38Å; I39-E41 PolarHBondContact O-N 3.21Å; I39-D42 HydrophobicContact CB-CB 4.18Å; I39-D42 HydrophobicContact CG2-CB 4.13Å; I39-D42 PolarHBondContact O-N 3.19Å
40	A	93.2	Very high	95.2	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.041	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.8	-31.2	-177.8	0	0	0	0	0	112.8	L33 G38 D42 L43 I91 K94 W95	L33-A40 HydrophobicContact CD1-CB 4.18Å; G38-A40 PolarHBondContact O-N 3.37Å; A40-D42 PolarHBondContact O-N 3.16Å; A40-L43 WeakPolarHBondContact O-CB 3.46Å; A40-L43 WeakPolarHBondContact O-CD1 3.24Å; A40-L43 WeakPolarHBondContact O-CG 3.47Å; A40-L43 PolarHBondContact O-N 3.01Å; A40-I91 HydrophobicContact CB-CG2 4.27Å; A40-K94 HydrophobicContact CB-CB 4.26Å; A40-K94 HydrophobicContact CB-CD 3.82Å; A40-K94 HydrophobicContact CB-CG 4.1Å; A40-W95 VanDerWaalsContact O-CD1 3.28Å
41	E	93.6	Very high	95.3	Very high	59 Å²	59	48.2 Å²	48.2	28%	0.276	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66.5	-24.1	177.6	-59.4	89.3	155.6	0	0	113.1	I39 L43 K94 S98 H99	I39-E41 HydrophobicContact CG2-CB 4.13Å; I39-E41 WeakPolarHBondContact CG2-OE2 3.38Å; I39-E41 PolarHBondContact O-N 3.21Å; E41-L43 VanDerWaalsContact C-N 3.29Å; E41-K94 WeakPolarHBondContact OE1-CE 3.44Å; E41-K94 IonicContact OE1-NZ 2.71Å; E41-K94 PolarHBondContact OE1-NZ 2.72Å; E41-K94 IonicContact OE2-NZ 4Å; E41-K94 PolarHBondContact OE2-NZ 2.67Å; E41-S98 VanDerWaalsContact CG-OG 3.31Å; E41-S98 WeakPolarHBondContact CG-OG 3.39Å; E41-H99 PolarHBondContact O-CE1 3.15Å; E41-H99 PolarHBondContact O-NE2 3.23Å
42	D	96.1	Very high	95.3	Very high	89 Å²	89	47.6 Å²	47.6	48%	0.476	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-88.8	-0.1	-179.1	-69.2	-12.1	0	0	0	112	V36 I39 A40	V36-D42 HydrophobicContact CB-CB 3.89Å; V36-D42 HydrophobicContact CG1-CB 4.35Å; V36-D42 WeakPolarHBondContact CG1-O 3.28Å; V36-D42 HydrophobicContact CG2-CB 4.4Å; I39-D42 HydrophobicContact CB-CB 4.18Å; I39-D42 HydrophobicContact CG2-CB 4.13Å; I39-D42 PolarHBondContact O-N 3.19Å; A40-D42 PolarHBondContact O-N 3.16Å
43	L	96.8	Very high	95.4	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.267	C	S	.	.			trans	-64.9	134.4	174.7	-72.9	167.8	0	0	0	111	I29 A32 L33 V36 A40 E41 I91 W95 F104	I29-L43 HydrophobicContact CD1-CD1 3.98Å; I29-L43 HydrophobicContact CD1-CD2 4.21Å; I29-L43 HydrophobicContact CG1-CD1 4.31Å; A32-L43 HydrophobicContact CB-CD2 3.98Å; L33-L43 HydrophobicContact CD1-CD1 4.23Å; L33-L43 HydrophobicContact CD1-CG 4.47Å; V36-L43 HydrophobicContact CG2-CD2 3.82Å; V36-L43 HydrophobicContact CG2-CG 4Å; A40-L43 WeakPolarHBondContact O-CB 3.46Å; A40-L43 WeakPolarHBondContact O-CD1 3.24Å; A40-L43 WeakPolarHBondContact O-CG 3.47Å; A40-L43 PolarHBondContact O-N 3.01Å; E41-L43 VanDerWaalsContact C-N 3.29Å; L43-I91 HydrophobicContact CD1-CG2 3.37Å; L43-W95 PolarHBondContact O-NE1 2.85Å; L43-F104 HydrophobicContact CB-CE1 4.36Å
44	T	96.3	Very high	95.5	Very high	59 Å²	59	50.9 Å²	50.9	36%	0.362	27%	0.268	S	S	.	.			trans	-131.2	164	172.8	79.3	0	0	0	0	110.8	E46 A47 F48	T44-E46 VanDerWaalsContact C-N 3.26Å; T44-E46 WeakPolarHBondContact CB-OE2 3.4Å; T44-E46 PolarHBondContact O-N 2.95Å; T44-E46 PolarHBondContact OG1-N 3.11Å; T44-E46 PolarHBondContact OG1-OE2 3.19Å; T44-A47 PolarHBondContact O-N 2.78Å; T44-A47 PolarHBondContact OG1-N 2.73Å; T44-F48 PolarHBondContact O-N 2.91Å
45	W	97.7	Very high	95.7	Very high	19 Å²	19	46.8 Å²	46.8	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-54.9	-42.7	172.6	168.8	-128.7	0	0	0	111.7	A47 F48 R49 F104 H108 E111 I112 I115	W45-A47 PolarHBondContact O-N 2.88Å; W45-F48 HydrophobicContact CE3-CD1 4.19Å; W45-F48 AromaticContact CZ3-CD1 3.87Å; W45-F48 HydrophobicContact CZ3-CD1 3.87Å; W45-F48 HydrophobicContact CZ3-CE1 4.49Å; W45-F48 PolarHBondContact O-N 3.38Å; W45-R49 HydrophobicContact CD2-CB 4.32Å; W45-R49 HydrophobicContact CH2-CB 4.23Å; W45-R49 HydrophobicContact CH2-CG 4.4Å; W45-R49 HydrophobicContact CZ2-CB 4.02Å; W45-R49 HydrophobicContact CZ2-CG 3.99Å; W45-R49 HydrophobicContact CZ3-CB 4.48Å; W45-R49 VanDerWaalsContact O-CB 3.3Å; W45-R49 WeakPolarHBondContact O-CB 3.33Å; W45-R49 PolarHBondContact O-N 3.14Å; W45-F104 HydrophobicContact CB-CD2 4.37Å; W45-F104 HydrophobicContact CE3-CD2 4.29Å; W45-F104 HydrophobicContact CE3-CE2 4.48Å; W45-H108 AromaticContact CD1-CE1 3.74Å; W45-H108 AromaticContact CD1-ND1 3.77Å; W45-H108 HydrophobicContact CD2-CB 3.79Å; W45-H108 AromaticContact CD2-CD2 3.99Å; W45-H108 AromaticContact CD2-CG 3.69Å; W45-H108 AromaticContact CE2-CG 3.94Å; W45-H108 AromaticContact CE2-ND1 3.98Å; W45-H108 HydrophobicContact CE3-CB 3.71Å; W45-H108 HydrophobicContact CG-CB 4.47Å; W45-H108 AromaticContact CG-CD2 3.78Å; W45-H108 AromaticContact CG-CG 3.85Å; W45-H108 AromaticContact CG-NE2 3.91Å; W45-H108 HydrophobicContact CH2-CB 4.03Å; W45-H108 HydrophobicContact CZ2-CB 4.09Å; W45-H108 HydrophobicContact CZ3-CB 3.81Å; W45-H108 AromaticContact NE1-ND1 3.71Å; W45-E111 HydrophobicContact CH2-CB 3.95Å; W45-E111 HydrophobicContact CZ2-CB 3.52Å; W45-E111 HydrophobicContact CZ2-CG 4.33Å; W45-E111 WeakPolarHBondContact CZ2-OE2 3.4Å; W45-E111 PolarHBondContact NE1-OE2 2.89Å; W45-I112 HydrophobicContact CH2-CG1 3.7Å; W45-I112 HydrophobicContact CZ3-CD1 4.16Å; W45-I112 HydrophobicContact CZ3-CG1 3.68Å; W45-I115 HydrophobicContact CH2-CD1 4.48Å
46	E	96.6	Very high	95.8	Very high	97 Å²	97	43.3 Å²	43.3	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-46.4	-178.4	-60.5	76.9	-170.3	0	0	112	T44 F48 R49 D50	T44-E46 VanDerWaalsContact C-N 3.26Å; T44-E46 WeakPolarHBondContact CB-OE2 3.4Å; T44-E46 PolarHBondContact O-N 2.95Å; T44-E46 PolarHBondContact OG1-N 3.11Å; T44-E46 PolarHBondContact OG1-OE2 3.19Å; E46-F48 VanDerWaalsContact C-N 3.28Å; E46-F48 PolarHBondContact O-N 3.48Å; E46-R49 PolarHBondContact O-N 3.11Å; E46-D50 WeakPolarHBondContact O-CB 3.39Å; E46-D50 PolarHBondContact O-N 2.95Å
47	A	95.5	Very high	96	Very high	22 Å²	22	49 Å²	49	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-36.4	178.1	0	0	0	0	0	112.2	T44 W45 T51	T44-A47 PolarHBondContact O-N 2.78Å; T44-A47 PolarHBondContact OG1-N 2.73Å; W45-A47 PolarHBondContact O-N 2.88Å; A47-T51 PolarHBondContact O-N 2.75Å; A47-T51 PolarHBondContact O-OG1 3.14Å
48	F	98	Very high	96.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-72.4	-45.5	176.5	-172.9	-102.6	0	0	0	112.1	P28 I29 A32 T44 W45 E46 D50 T51 L52 F104 L105 I112	P28-F48 HydrophobicContact CB-CE2 3.81Å; P28-F48 HydrophobicContact CB-CZ 4.08Å; I29-F48 HydrophobicContact CB-CE2 4.07Å; I29-F48 HydrophobicContact CD1-CD2 3.59Å; I29-F48 HydrophobicContact CD1-CE2 3.87Å; A32-F48 HydrophobicContact CB-CD2 4.1Å; T44-F48 PolarHBondContact O-N 2.91Å; W45-F48 HydrophobicContact CE3-CD1 4.19Å; W45-F48 AromaticContact CZ3-CD1 3.87Å; W45-F48 HydrophobicContact CZ3-CD1 3.87Å; W45-F48 HydrophobicContact CZ3-CE1 4.49Å; W45-F48 PolarHBondContact O-N 3.38Å; E46-F48 VanDerWaalsContact C-N 3.28Å; E46-F48 PolarHBondContact O-N 3.48Å; F48-D50 PolarHBondContact O-N 2.91Å; F48-T51 CarbonylContact O-C 3.2Å; F48-T51 WeakPolarHBondContact O-CA 3.37Å; F48-T51 VanDerWaalsContact O-CB 3.3Å; F48-T51 WeakPolarHBondContact O-CB 3.41Å; F48-T51 PolarHBondContact O-N 3.33Å; F48-L52 HydrophobicContact CD1-CD1 3.92Å; F48-L52 HydrophobicContact CD1-CG 4.12Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE1-CD2 3.95Å; F48-L52 HydrophobicContact CE1-CG 3.82Å; F48-L52 HydrophobicContact CZ-CD1 4.46Å; F48-L52 HydrophobicContact CZ-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CG 4.29Å; F48-L52 PolarHBondContact O-N 2.9Å; F48-F104 HydrophobicContact CB-CE2 3.75Å; F48-F104 HydrophobicContact CB-CZ 4.15Å; F48-F104 HydrophobicContact CD1-CE2 4.19Å; F48-F104 AromaticContact CG-CE2 3.95Å; F48-F104 HydrophobicContact CG-CE2 3.95Å; F48-F104 HydrophobicContact CG-CZ 4.36Å; F48-L105 HydrophobicContact CD1-CD2 3.5Å; F48-L105 HydrophobicContact CD2-CD2 4.14Å; F48-L105 HydrophobicContact CE1-CD2 3.25Å; F48-L105 HydrophobicContact CE2-CD2 3.92Å; F48-L105 HydrophobicContact CG-CD2 3.94Å; F48-L105 HydrophobicContact CZ-CD2 3.49Å; F48-L105 VanDerWaalsContact CZ-CD2 3.49Å; F48-I112 HydrophobicContact CE1-CD1 4.08Å
49	R	98.2	Very high	96.6	Very high	85 Å²	85	41.8 Å²	41.8	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-56.6	-48	176.8	-175.4	-166.7	65.7	-148.9	-8	111.7	W45 E46 T51 L52 L53 I115	W45-R49 HydrophobicContact CD2-CB 4.32Å; W45-R49 HydrophobicContact CH2-CB 4.23Å; W45-R49 HydrophobicContact CH2-CG 4.4Å; W45-R49 HydrophobicContact CZ2-CB 4.02Å; W45-R49 HydrophobicContact CZ2-CG 3.99Å; W45-R49 HydrophobicContact CZ3-CB 4.48Å; W45-R49 VanDerWaalsContact O-CB 3.3Å; W45-R49 WeakPolarHBondContact O-CB 3.33Å; W45-R49 PolarHBondContact O-N 3.14Å; E46-R49 PolarHBondContact O-N 3.11Å; R49-T51 PolarHBondContact O-N 2.99Å; R49-L52 WeakPolarHBondContact O-CB 3.38Å; R49-L52 PolarHBondContact O-N 3.35Å; R49-L52 VanDerWaalsContact O-N 3.14Å; R49-L53 PolarHBondContact O-N 2.78Å; R49-L53 VanDerWaalsContact O-N 3.09Å; R49-I115 HydrophobicContact CG-CD1 3.83Å
50	D	97.2	Very high	96.8	Very high	79 Å²	79	38.5 Å²	38.5	42%	0.422	20%	0.201	S	C	.	.	H	α-helix	trans	-64	-28.6	178.6	-65.8	-1.4	0	0	0	111.2	E46 F48 E54	E46-D50 WeakPolarHBondContact O-CB 3.39Å; E46-D50 PolarHBondContact O-N 2.95Å; F48-D50 PolarHBondContact O-N 2.91Å; D50-E54 VanDerWaalsContact O-CB 3.31Å; D50-E54 WeakPolarHBondContact O-CB 3.44Å; D50-E54 PolarHBondContact O-N 3.42Å
51	T	97.7	Very high	97.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-74.9	-36.5	174.3	-57	0	0	0	0	112.8	P28 Q31 A32 K35 A47 F48 R49 Q55	P28-T51 HydrophobicContact CB-CG2 4.39Å; P28-T51 WeakPolarHBondContact O-CG2 3.07Å; Q31-T51 HydrophobicContact CB-CG2 3.78Å; Q31-T51 HydrophobicContact CG-CG2 3.98Å; A32-T51 HydrophobicContact CB-CG2 4.46Å; K35-T51 PolarHBondContact NZ-OG1 2.94Å; A47-T51 PolarHBondContact O-N 2.75Å; A47-T51 PolarHBondContact O-OG1 3.14Å; F48-T51 CarbonylContact O-C 3.2Å; F48-T51 WeakPolarHBondContact O-CA 3.37Å; F48-T51 VanDerWaalsContact O-CB 3.3Å; F48-T51 WeakPolarHBondContact O-CB 3.41Å; F48-T51 PolarHBondContact O-N 3.33Å; R49-T51 PolarHBondContact O-N 2.99Å; T51-Q55 WeakPolarHBondContact O-CG 3.26Å; T51-Q55 PolarHBondContact O-N 3.32Å; T51-Q55 VanDerWaalsContact O-N 3.13Å
52	L	98.4	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-49	173.8	-68.4	176.2	0	0	0	111.2	P28 F48 R49 E54 Q55 A56 F63 I65 I112 I115	P28-L52 HydrophobicContact CB-CD2 3.81Å; P28-L52 HydrophobicContact CG-CD2 3.72Å; F48-L52 HydrophobicContact CD1-CD1 3.92Å; F48-L52 HydrophobicContact CD1-CG 4.12Å; F48-L52 HydrophobicContact CE1-CD1 3.6Å; F48-L52 HydrophobicContact CE1-CD2 3.95Å; F48-L52 HydrophobicContact CE1-CG 3.82Å; F48-L52 HydrophobicContact CZ-CD1 4.46Å; F48-L52 HydrophobicContact CZ-CD2 3.99Å; F48-L52 HydrophobicContact CZ-CG 4.29Å; F48-L52 PolarHBondContact O-N 2.9Å; R49-L52 WeakPolarHBondContact O-CB 3.38Å; R49-L52 PolarHBondContact O-N 3.35Å; R49-L52 VanDerWaalsContact O-N 3.14Å; L52-E54 PolarHBondContact O-N 3.24Å; L52-Q55 PolarHBondContact O-N 3.24Å; L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.19Å; L52-F63 HydrophobicContact CD2-CD2 3.77Å; L52-F63 HydrophobicContact CD2-CE2 3.87Å; L52-F63 HydrophobicContact CD2-CG 4.34Å; L52-I65 HydrophobicContact CD2-CD1 4.24Å; L52-I112 HydrophobicContact CD1-CG1 4.09Å; L52-I112 HydrophobicContact CD1-CG2 4.36Å; L52-I115 HydrophobicContact CB-CD1 4.43Å; L52-I115 HydrophobicContact CB-CG2 4.18Å; L52-I115 HydrophobicContact CD1-CD1 4.07Å
53	L	98	Very high	97.4	Very high	58 Å²	58	35.6 Å²	35.6	30%	0.304	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-46.9	178.7	-72	169.3	0	0	0	111.5	R49 Q55 A56 E57 I115 Y119	R49-L53 PolarHBondContact O-N 2.78Å; R49-L53 VanDerWaalsContact O-N 3.09Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.91Å; L53-A56 PolarHBondContact O-N 2.77Å; L53-E57 WeakPolarHBondContact O-CG 3.32Å; L53-E57 PolarHBondContact O-N 2.79Å; L53-I115 HydrophobicContact CD2-CG2 4.15Å; L53-Y119 HydrophobicContact CD2-CE2 4.21Å
54	E	97.3	Very high	97.5	Very high	42 Å²	42	35.7 Å²	35.7	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-44.8	177.8	-173.2	-167.3	144	0	0	112	H10 Q31 K35 D50 L52 Q58	H10-E54 IonicContact CE1-OE1 2.74Å; H10-E54 IonicContact CG-OE1 3.5Å; H10-E54 IonicContact ND1-OE1 3.56Å; H10-E54 PolarHBondContact ND1-OE1 3.09Å; Q31-E54 VanDerWaalsContact NE2-CD 3.34Å; Q31-E54 PolarHBondContact NE2-OE1 2.79Å; Q31-E54 PolarHBondContact NE2-OE2 2.91Å; K35-E54 WeakPolarHBondContact CE-OE2 3.18Å; K35-E54 IonicContact NZ-OE2 3.47Å; K35-E54 PolarHBondContact NZ-OE2 2.97Å; D50-E54 VanDerWaalsContact O-CB 3.31Å; D50-E54 WeakPolarHBondContact O-CB 3.44Å; D50-E54 PolarHBondContact O-N 3.42Å; L52-E54 PolarHBondContact O-N 3.24Å; E54-Q58 WeakPolarHBondContact O-CG 3.18Å; E54-Q58 PolarHBondContact O-N 2.97Å
55	Q	97.9	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-74.5	-35.7	-178.9	-69.4	-172	26.2	0	0	113.3	R13 T26 T51 L52 L53 E57 Q58 G59 V60 F63	R13-Q55 VanDerWaalsContact CZ-CG 3.48Å; T26-Q55 VanDerWaalsContact CB-OE1 3.27Å; T26-Q55 PolarHBondContact OG1-OE1 3.4Å; T51-Q55 WeakPolarHBondContact O-CG 3.26Å; T51-Q55 PolarHBondContact O-N 3.32Å; T51-Q55 VanDerWaalsContact O-N 3.13Å; L52-Q55 PolarHBondContact O-N 3.24Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.91Å; Q55-E57 VanDerWaalsContact C-N 3.33Å; Q55-Q58 PolarHBondContact O-N 3.43Å; Q55-G59 PolarHBondContact O-N 2.79Å; Q55-V60 HydrophobicContact CB-CB 4.47Å; Q55-V60 HydrophobicContact CB-CG2 4.01Å; Q55-V60 WeakPolarHBondContact O-CG2 3.34Å; Q55-V60 PolarHBondContact O-N 3.27Å; Q55-F63 HydrophobicContact CB-CE1 3.63Å; Q55-F63 HydrophobicContact CB-CZ 3.78Å
56	A	97.7	Very high	97.7	Very high	6 Å²	6	32.2 Å²	32.2	5%	0.05	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-40.8	175.7	0	0	0	0	0	110.8	L52 L53 Q58 G59 F63 Y119 V121	L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.19Å; L53-A56 PolarHBondContact O-N 2.77Å; A56-Q58 VanDerWaalsContact C-N 3.33Å; A56-Q58 PolarHBondContact O-N 2.9Å; A56-G59 PolarHBondContact O-N 2.97Å; A56-G59 VanDerWaalsContact O-N 3.08Å; A56-F63 HydrophobicContact CB-CZ 4.26Å; A56-Y119 HydrophobicContact CB-CD1 3.85Å; A56-Y119 HydrophobicContact CB-CD2 3.76Å; A56-Y119 HydrophobicContact CB-CE1 4.24Å; A56-Y119 HydrophobicContact CB-CE2 4.18Å; A56-Y119 HydrophobicContact CB-CG 3.6Å; A56-V121 HydrophobicContact CB-CG2 4.17Å
57	E	97.4	Very high	97.7	Very high	139 Å²	139	27.6 Å²	27.6	65%	0.65	15%	0.145	S	C	*	.	H	α-helix	trans	-65.4	-31.7	174.6	-73.1	179.4	177.6	0	0	113.5	L53 Q55 G59 Y119	L53-E57 WeakPolarHBondContact O-CG 3.32Å; L53-E57 PolarHBondContact O-N 2.79Å; Q55-E57 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.49Å; E57-Y119 HydrophobicContact CG-CE1 3.82Å
58	Q	96.3	Very high	97.8	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-23.7	173.1	-68.6	-169.3	-81.6	0	0	112.6	H10 R13 E14 L17 R18 E54 Q55 A56	H10-Q58 PolarHBondContact O-NE2 3.04Å; R13-Q58 VanDerWaalsContact CZ-OE1 3.28Å; E14-Q58 PolarHBondContact OE2-NE2 3.18Å; L17-Q58 HydrophobicContact CD1-CB 3.66Å; L17-Q58 WeakPolarHBondContact CD1-O 3.5Å; R18-Q58 PolarHBondContact NH1-O 2.73Å; R18-Q58 PolarHBondContact NH2-O 3.45Å; E54-Q58 WeakPolarHBondContact O-CG 3.18Å; E54-Q58 PolarHBondContact O-N 2.97Å; Q55-Q58 PolarHBondContact O-N 3.43Å; A56-Q58 VanDerWaalsContact C-N 3.33Å; A56-Q58 PolarHBondContact O-N 2.9Å
59	G	96.1	Very high	97.8	Very high	33 Å²	33	26.4 Å²	26.4	34%	0.34	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	34.9	-178.4	0	0	0	0	0	114.3	L17 Q55 A56 E57	L17-G59 VanDerWaalsContact CD2-O 3.26Å; L17-G59 WeakPolarHBondContact CD2-O 3.41Å; Q55-G59 PolarHBondContact O-N 2.79Å; A56-G59 PolarHBondContact O-N 2.97Å; A56-G59 VanDerWaalsContact O-N 3.08Å; E57-G59 PolarHBondContact O-N 3.49Å
60	V	98.1	Very high	97.8	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.024	12%	0.12	C	C	.	.			trans	-66.5	129.6	169.9	173.4	0	0	0	0	110	L17 I24 T26 Q55 Y62 F63 V121	L17-V60 HydrophobicContact CD1-CG2 4.09Å; I24-V60 WeakPolarHBondContact O-CG1 3.31Å; T26-V60 HydrophobicContact CG2-CB 4.39Å; T26-V60 HydrophobicContact CG2-CG1 3.74Å; T26-V60 HydrophobicContact CG2-CG2 3.66Å; Q55-V60 HydrophobicContact CB-CB 4.47Å; Q55-V60 HydrophobicContact CB-CG2 4.01Å; Q55-V60 WeakPolarHBondContact O-CG2 3.34Å; Q55-V60 PolarHBondContact O-N 3.27Å; V60-Y62 WeakPolarHBondContact CG1-O 3.05Å; V60-F63 HydrophobicContact CB-CD1 4.49Å; V60-F63 HydrophobicContact CB-CE1 3.74Å; V60-F63 HydrophobicContact CB-CZ 4.45Å; V60-F63 HydrophobicContact CG1-CD1 3.7Å; V60-F63 HydrophobicContact CG1-CE1 3.44Å; V60-F63 VanDerWaalsContact CG1-CE1 3.44Å; V60-F63 HydrophobicContact CG1-CZ 4.48Å; V60-F63 HydrophobicContact CG2-CE1 4.43Å; V60-V121 WeakPolarHBondContact O-CG2 3.49Å
61	D	98.3	Very high	97.8	Very high	69 Å²	69	20.3 Å²	20.3	37%	0.369	11%	0.109	S	C	.	.			trans	-82.9	-28.7	-172.8	-54.7	-93.5	0	0	0	113.7	P23 I24 S122	P23-D61 VanDerWaalsContact CA-OD2 3.31Å; P23-D61 WeakPolarHBondContact CA-OD2 3.34Å; P23-D61 HydrophobicContact CB-CB 3.98Å; I24-D61 PolarHBondContact N-OD2 2.74Å; I24-D61 PolarHBondContact O-N 2.64Å; D61-S122 PolarHBondContact O-N 3.05Å
62	Y	98.6	Very high	97.7	Very high	23 Å²	23	26.1 Å²	26.1	9%	0.09	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	147.2	176	64	-88.9	0	0	0	114.3	M1 P23 G25 T26 V60 S122 M164 Y193	M1-Y62 HydrophobicContact CE-CE2 3.89Å; M1-Y62 HydrophobicContact CG-CE2 3.82Å; M1-Y62 WeakPolarHBondContact CG-OH 3.19Å; M1-Y62 HydrophobicContact SD-CE2 3.96Å; P23-Y62 HydrophobicContact CB-CE1 4.47Å; G25-Y62 CarbonylContact C-O 3.37Å; G25-Y62 VanDerWaalsContact CA-CZ 3.45Å; G25-Y62 WeakPolarHBondContact CA-O 3.35Å; G25-Y62 VanDerWaalsContact N-CE1 3.29Å; T26-Y62 PolarHBondContact N-O 2.92Å; T26-Y62 VanDerWaalsContact N-O 3.08Å; V60-Y62 WeakPolarHBondContact CG1-O 3.05Å; Y62-S122 CarbonylContact C-O 3.49Å; Y62-S122 WeakPolarHBondContact CA-O 3.44Å; Y62-S122 VanDerWaalsContact CB-O 3.29Å; Y62-S122 WeakPolarHBondContact CB-O 3.49Å; Y62-M164 HydrophobicContact CD1-CE 4.16Å; Y62-M164 HydrophobicContact CD2-CE 3.31Å; Y62-M164 HydrophobicContact CE1-CE 4.46Å; Y62-M164 HydrophobicContact CE2-CE 3.66Å; Y62-M164 HydrophobicContact CG-CE 3.58Å; Y62-Y193 HydrophobicContact CE2-CE1 4.44Å
63	F	98.6	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.1	178.3	-65.2	-36	0	0	0	112.2	T26 P28 L52 Q55 A56 V60 I65 V121 S122 S124	T26-F63 WeakPolarHBondContact OG1-CD1 3.25Å; P28-F63 HydrophobicContact CG-CB 3.98Å; P28-F63 HydrophobicContact CG-CD1 3.59Å; P28-F63 HydrophobicContact CG-CD2 4.46Å; P28-F63 HydrophobicContact CG-CE1 4.15Å; P28-F63 HydrophobicContact CG-CG 3.77Å; L52-F63 HydrophobicContact CD2-CD2 3.77Å; L52-F63 HydrophobicContact CD2-CE2 3.87Å; L52-F63 HydrophobicContact CD2-CG 4.34Å; Q55-F63 HydrophobicContact CB-CE1 3.63Å; Q55-F63 HydrophobicContact CB-CZ 3.78Å; A56-F63 HydrophobicContact CB-CZ 4.26Å; V60-F63 HydrophobicContact CB-CD1 4.49Å; V60-F63 HydrophobicContact CB-CE1 3.74Å; V60-F63 HydrophobicContact CB-CZ 4.45Å; V60-F63 HydrophobicContact CG1-CD1 3.7Å; V60-F63 HydrophobicContact CG1-CE1 3.44Å; V60-F63 VanDerWaalsContact CG1-CE1 3.44Å; V60-F63 HydrophobicContact CG1-CZ 4.48Å; V60-F63 HydrophobicContact CG2-CE1 4.43Å; F63-I65 HydrophobicContact CB-CD1 4.08Å; F63-I65 HydrophobicContact CB-CG1 3.92Å; F63-I65 PolarHBondContact O-N 2.92Å; F63-V121 HydrophobicContact CB-CG1 4.42Å; F63-V121 HydrophobicContact CD1-CG1 4.08Å; F63-V121 HydrophobicContact CD2-CB 4.26Å; F63-V121 HydrophobicContact CD2-CG1 3.46Å; F63-V121 VanDerWaalsContact CD2-CG1 3.46Å; F63-V121 HydrophobicContact CE1-CG1 4.2Å; F63-V121 HydrophobicContact CE2-CB 4.1Å; F63-V121 HydrophobicContact CE2-CG1 3.59Å; F63-V121 HydrophobicContact CE2-CG2 4.14Å; F63-V121 HydrophobicContact CG-CG1 3.72Å; F63-V121 HydrophobicContact CZ-CG1 3.96Å; F63-V121 HydrophobicContact CZ-CG2 4.32Å; F63-S122 PolarHBondContact N-O 3.1Å; F63-S124 WeakPolarHBondContact O-CA 3.41Å; F63-S124 WeakPolarHBondContact O-CB 3.42Å; F63-S124 PolarHBondContact O-N 3.01Å; F63-S124 VanDerWaalsContact O-O 3.13Å
64	T	98.6	Very high	97.4	Very high	3 Å²	3	25 Å²	25	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	110.2	164.6	-58.3	0	0	0	0	110.3	M1 T26 V27 P28 S124 E166	M1-T64 WeakPolarHBondContact CE-OG1 3.47Å; T26-T64 PolarHBondContact O-N 2.87Å; V27-T64 HydrophobicContact CG2-CG2 4.19Å; P28-T64 WeakPolarHBondContact CD-O 3.28Å; T64-S124 WeakPolarHBondContact CA-O 3.28Å; T64-E166 WeakPolarHBondContact CB-OE1 3.42Å; T64-E166 VanDerWaalsContact CG2-CD 3.48Å; T64-E166 WeakPolarHBondContact CG2-OE1 3.49Å; T64-E166 WeakPolarHBondContact CG2-OE2 3.25Å; T64-E166 PolarHBondContact OG1-OE1 3.24Å
65	I	98.4	Very high	97.3	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.5	-177.9	-58.9	-172.6	0	0	0	110.4	L52 F63 A67 L105 I112 L123 S124 G126	L52-I65 HydrophobicContact CD2-CD1 4.24Å; F63-I65 HydrophobicContact CB-CD1 4.08Å; F63-I65 HydrophobicContact CB-CG1 3.92Å; F63-I65 PolarHBondContact O-N 2.92Å; I65-A67 HydrophobicContact CG2-CB 4.1Å; I65-A67 PolarHBondContact O-N 2.99Å; I65-L105 HydrophobicContact CG2-CB 4.34Å; I65-L105 HydrophobicContact CG2-CD1 4.15Å; I65-I112 HydrophobicContact CD1-CD1 4.44Å; I65-I112 HydrophobicContact CD1-CG2 3.43Å; I65-I112 VanDerWaalsContact CD1-CG2 3.43Å; I65-I112 HydrophobicContact CG2-CD1 4.25Å; I65-L123 HydrophobicContact CD1-CD2 3.66Å; I65-L123 HydrophobicContact CG1-CD2 4.33Å; I65-S124 PolarHBondContact N-O 3.24Å; I65-G126 PolarHBondContact O-N 2.89Å
66	H	98.3	Very high	97.1	Very high	3 Å²	3	29 Å²	29	1%	0.014	15%	0.151	C	C	.	.			trans	-87.7	51.2	-175.9	-57.3	86.1	0	0	0	111.9	G68 V69 S86 M92 N103 G128	H66-G68 VanDerWaalsContact C-N 3.26Å; H66-G68 PolarHBondContact O-N 3.44Å; H66-V69 HydrophobicContact CB-CG2 4.1Å; H66-S86 PolarHBondContact CD2-OG 3.5Å; H66-S86 PolarHBondContact NE2-OG 3.07Å; H66-M92 HydrophobicContact CB-CG 4.34Å; H66-N103 PolarHBondContact O-ND2 2.76Å; H66-G128 VanDerWaalsContact CD2-CA 3.47Å; H66-G128 WeakPolarHBondContact CD2-CA 3.29Å
67	A	98.2	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14	-179.3	0	0	0	0	0	113.2	I65 V69 L105 Y106 F109 L152	I65-A67 HydrophobicContact CG2-CB 4.1Å; I65-A67 PolarHBondContact O-N 2.99Å; A67-V69 VanDerWaalsContact C-N 3.34Å; A67-L105 HydrophobicContact CB-CB 4.01Å; A67-Y106 WeakPolarHBondContact O-CB 3.33Å; A67-F109 HydrophobicContact CB-CD2 3.74Å; A67-F109 HydrophobicContact CB-CE2 4.05Å; A67-L152 HydrophobicContact CB-CD1 3.64Å
68	G	97.5	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.6	175.5	0	0	0	0	0	115.3	H66 L70 Y73	H66-G68 VanDerWaalsContact C-N 3.26Å; H66-G68 PolarHBondContact O-N 3.44Å; G68-L70 PolarHBondContact O-N 2.99Å; G68-Y73 WeakPolarHBondContact O-CD2 3.46Å
69	V	97.5	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.			trans	-81.5	78.5	-178.9	-173.6	0	0	0	0	110.5	H66 A67 M92 A93 N103 L129 E145	H66-V69 HydrophobicContact CB-CG2 4.1Å; A67-V69 VanDerWaalsContact C-N 3.34Å; V69-M92 HydrophobicContact CB-CB 4.35Å; V69-M92 HydrophobicContact CG1-CB 4.37Å; V69-A93 HydrophobicContact CG1-CB 4.41Å; V69-N103 VanDerWaalsContact O-CB 3.27Å; V69-N103 WeakPolarHBondContact O-CB 3.35Å; V69-N103 PolarHBondContact O-ND2 3.46Å; V69-L129 HydrophobicContact CG1-CD2 4Å; V69-L129 HydrophobicContact CG2-CD2 4.37Å; V69-L129 HydrophobicContact CG2-CG 4.32Å; V69-E145 VanDerWaalsContact CG2-OE1 3.27Å; V69-E145 WeakPolarHBondContact CG2-OE1 3Å
70	L	98.1	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.			trans	-81.6	149.9	-176	-53.2	-173.5	0	0	0	112.2	G68 R72 Y73 V74 E102 N103 Y106 T148	G68-L70 PolarHBondContact O-N 2.99Å; L70-R72 HydrophobicContact CB-CG 4.17Å; L70-R72 VanDerWaalsContact CD1-NH1 3.28Å; L70-R72 PolarHBondContact O-N 3.48Å; L70-R72 VanDerWaalsContact O-N 3.15Å; L70-Y73 HydrophobicContact CB-CD2 3.7Å; L70-Y73 HydrophobicContact CB-CE2 3.83Å; L70-Y73 HydrophobicContact CB-CG 4.08Å; L70-Y73 HydrophobicContact CD1-CD2 4.33Å; L70-Y73 HydrophobicContact CD1-CE2 3.58Å; L70-Y73 HydrophobicContact CG-CD2 3.92Å; L70-Y73 HydrophobicContact CG-CE2 3.62Å; L70-Y73 WeakPolarHBondContact O-CA 3.42Å; L70-Y73 WeakPolarHBondContact O-CB 3.31Å; L70-Y73 PolarHBondContact O-N 3.19Å; L70-V74 PolarHBondContact O-N 3.02Å; L70-E102 WeakPolarHBondContact CA-OE1 3.26Å; L70-E102 WeakPolarHBondContact CB-OE1 3.29Å; L70-N103 HydrophobicContact CD2-CB 4.4Å; L70-Y106 HydrophobicContact CD1-CD2 4.42Å; L70-Y106 HydrophobicContact CD1-CE2 4.19Å; L70-Y106 HydrophobicContact CD2-CD1 4.07Å; L70-Y106 HydrophobicContact CD2-CD2 3.47Å; L70-Y106 VanDerWaalsContact CD2-CD2 3.47Å; L70-Y106 HydrophobicContact CD2-CE2 4.05Å; L70-Y106 HydrophobicContact CD2-CG 3.46Å; L70-Y106 VanDerWaalsContact CD2-CG 3.46Å; L70-T148 HydrophobicContact CD1-CG2 3.87Å; L70-T148 HydrophobicContact CG-CG2 4.36Å
71	L	96.3	Very high	96	Very high	36 Å²	36	38.3 Å²	38.3	19%	0.188	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-41	179.1	173.1	64.8	0	0	0	111.2	Y73 V74 P75 C96 E102	L71-Y73 VanDerWaalsContact C-N 3.26Å; L71-Y73 PolarHBondContact O-N 3.31Å; L71-V74 PolarHBondContact O-N 3.28Å; L71-P75 WeakPolarHBondContact O-CD 3.28Å; L71-C96 HydrophobicContact CB-CB 4.42Å; L71-C96 HydrophobicContact CD1-CB 3.95Å; L71-E102 PolarHBondContact N-OE1 3.22Å
72	R	96.2	Very high	95.9	Very high	122 Å²	122	37.5 Å²	37.5	46%	0.46	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.4	178.4	64.8	177.7	-179.6	-88.2	7.5	114.1	L70 E102	L70-R72 HydrophobicContact CB-CG 4.17Å; L70-R72 VanDerWaalsContact CD1-NH1 3.28Å; L70-R72 PolarHBondContact O-N 3.48Å; L70-R72 VanDerWaalsContact O-N 3.15Å; R72-E102 IonicContact NH1-OE2 3.68Å; R72-E102 PolarHBondContact NH1-OE2 3.38Å; R72-E102 VanDerWaalsContact NH1-OE2 3.17Å
73	Y	97.2	Very high	95.6	Very high	22 Å²	22	37.3 Å²	37.3	9%	0.086	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-24.3	177.4	-55.9	-21.8	0	0	0	112.4	G68 L70 L71 P75 M76 L129 A144 T148	G68-Y73 WeakPolarHBondContact O-CD2 3.46Å; L70-Y73 HydrophobicContact CB-CD2 3.7Å; L70-Y73 HydrophobicContact CB-CE2 3.83Å; L70-Y73 HydrophobicContact CB-CG 4.08Å; L70-Y73 HydrophobicContact CD1-CD2 4.33Å; L70-Y73 HydrophobicContact CD1-CE2 3.58Å; L70-Y73 HydrophobicContact CG-CD2 3.92Å; L70-Y73 HydrophobicContact CG-CE2 3.62Å; L70-Y73 WeakPolarHBondContact O-CA 3.42Å; L70-Y73 WeakPolarHBondContact O-CB 3.31Å; L70-Y73 PolarHBondContact O-N 3.19Å; L71-Y73 VanDerWaalsContact C-N 3.26Å; L71-Y73 PolarHBondContact O-N 3.31Å; Y73-P75 VanDerWaalsContact C-N 3.35Å; Y73-M76 HydrophobicContact CD1-CE 3.66Å; Y73-M76 HydrophobicContact CD1-SD 3.71Å; Y73-M76 HydrophobicContact CE1-CE 4.22Å; Y73-M76 HydrophobicContact CG-SD 4.22Å; Y73-M76 WeakPolarHBondContact O-CA 3.16Å; Y73-M76 WeakPolarHBondContact O-CB 3.35Å; Y73-M76 PolarHBondContact O-N 3.42Å; Y73-L129 HydrophobicContact CD2-CD1 4.21Å; Y73-L129 HydrophobicContact CG-CD1 4.32Å; Y73-A144 HydrophobicContact CD1-CB 3.86Å; Y73-A144 HydrophobicContact CD2-CB 4.29Å; Y73-A144 HydrophobicContact CE1-CB 3.68Å; Y73-A144 HydrophobicContact CE2-CB 4.12Å; Y73-A144 WeakPolarHBondContact CE2-O 2.92Å; Y73-A144 HydrophobicContact CG-CB 4.21Å; Y73-A144 PolarHBondContact OH-O 3.31Å; Y73-T148 VanDerWaalsContact CE2-OG1 3.24Å; Y73-T148 WeakPolarHBondContact CE2-OG1 3.44Å; Y73-T148 PolarHBondContact OH-OG1 3.31Å
74	V	93.9	Very high	95.5	Very high	11 Å²	11	39 Å²	39	7%	0.067	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-53.6	-45.2	178	-177.2	0	0	0	0	112.2	L70 L71 M76 T77 A93 L97	L70-V74 PolarHBondContact O-N 3.02Å; L71-V74 PolarHBondContact O-N 3.28Å; V74-M76 PolarHBondContact O-N 3.03Å; V74-T77 PolarHBondContact O-N 3.46Å; V74-T77 VanDerWaalsContact O-N 3.14Å; V74-T77 PolarHBondContact O-OG1 3.06Å; V74-A93 HydrophobicContact CG1-CB 4.23Å; V74-A93 HydrophobicContact CG2-CB 4Å; V74-L97 HydrophobicContact CG1-CD1 3.89Å; V74-L97 HydrophobicContact CG1-CD2 4.01Å; V74-L97 HydrophobicContact CG1-CG 3.98Å
75	P	93.8	Very high	95.4	Very high	84 Å²	84	41.5 Å²	41.5	55%	0.545	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-62.6	-25.1	175.5	-24.4	35.2	0	0	0	114.9	L71 Y73 T77 A78	L71-P75 WeakPolarHBondContact O-CD 3.28Å; Y73-P75 VanDerWaalsContact C-N 3.35Å; P75-T77 PolarHBondContact O-N 3.31Å; P75-A78 VanDerWaalsContact O-CB 3.25Å; P75-A78 WeakPolarHBondContact O-CB 3.23Å; P75-A78 PolarHBondContact O-N 3.19Å
76	M	95.4	Very high	95.2	Very high	44 Å²	44	41.4 Å²	41.4	22%	0.217	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-65.1	-34.1	177	-57.1	170.8	174.9	0	0	110.5	Y73 V74 A78 E140 A141 A144	Y73-M76 HydrophobicContact CD1-CE 3.66Å; Y73-M76 HydrophobicContact CD1-SD 3.71Å; Y73-M76 HydrophobicContact CE1-CE 4.22Å; Y73-M76 HydrophobicContact CG-SD 4.22Å; Y73-M76 WeakPolarHBondContact O-CA 3.16Å; Y73-M76 WeakPolarHBondContact O-CB 3.35Å; Y73-M76 PolarHBondContact O-N 3.42Å; V74-M76 PolarHBondContact O-N 3.03Å; M76-A78 PolarHBondContact O-N 3.36Å; M76-E140 HydrophobicContact CE-CG 4.35Å; M76-E140 HydrophobicContact SD-CG 3.94Å; M76-A141 HydrophobicContact CB-CB 3.81Å; M76-A144 HydrophobicContact SD-CB 4.11Å
77	T	94.3	Very high	95	Very high	13 Å²	13	47 Å²	47	8%	0.08	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-72.6	-13.1	177.8	74.2	0	0	0	0	113.8	V74 P75 K79 R80 I84 L129 A141	V74-T77 PolarHBondContact O-N 3.46Å; V74-T77 VanDerWaalsContact O-N 3.14Å; V74-T77 PolarHBondContact O-OG1 3.06Å; P75-T77 PolarHBondContact O-N 3.31Å; T77-K79 PolarHBondContact O-N 3.45Å; T77-K79 VanDerWaalsContact O-N 3.09Å; T77-R80 WeakPolarHBondContact O-CB 3.41Å; T77-R80 PolarHBondContact O-N 3.31Å; T77-I84 HydrophobicContact CG2-CD1 4.02Å; T77-I84 HydrophobicContact CG2-CG1 3.76Å; T77-L129 HydrophobicContact CG2-CD1 4.45Å; T77-L129 HydrophobicContact CG2-CD2 3.75Å; T77-A141 HydrophobicContact CG2-CB 3.85Å
78	A	90.8	Very high	94.7	Very high	86 Å²	86	47 Å²	47	71%	0.711	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-63.6	-19.1	179.8	0	0	0	0	0	112.9	P75 M76	P75-A78 VanDerWaalsContact O-CB 3.25Å; P75-A78 WeakPolarHBondContact O-CB 3.23Å; P75-A78 PolarHBondContact O-N 3.19Å; M76-A78 PolarHBondContact O-N 3.36Å
79	K	87.2	Confident	94.5	Very high	192 Å²	192	47 Å²	47	84%	0.835	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-94	-7.7	177.4	-62	-179.9	-175.8	170.3	0	113.5	T77	T77-K79 PolarHBondContact O-N 3.45Å; T77-K79 VanDerWaalsContact O-N 3.09Å
80	R	96	Very high	94.3	Very high	20 Å²	20	49.3 Å²	49.3	8%	0.075	26%	0.261	C	S	.	.			trans	-70.9	150	-179.8	-76.4	-175.7	173.2	-170.2	-6.5	111.4	T77 G83 L129 R130 D136 D139	T77-R80 WeakPolarHBondContact O-CB 3.41Å; T77-R80 PolarHBondContact O-N 3.31Å; R80-G83 WeakPolarHBondContact CD-O 3.34Å; R80-G83 PolarHBondContact NH1-O 3.42Å; R80-L129 PolarHBondContact NH1-O 3.42Å; R80-L129 PolarHBondContact NH2-O 3.33Å; R80-R130 PolarHBondContact NH1-O 3.2Å; R80-D136 WeakPolarHBondContact CA-OD1 3.37Å; R80-D136 VanDerWaalsContact CB-OD1 3.26Å; R80-D136 WeakPolarHBondContact CB-OD1 3.44Å; R80-D136 HydrophobicContact CG-CB 4.1Å; R80-D136 WeakPolarHBondContact CG-OD1 3.3Å; R80-D139 WeakPolarHBondContact CG-OD2 3.45Å; R80-D139 IonicContact CZ-OD1 3.84Å; R80-D139 IonicContact CZ-OD2 3.87Å; R80-D139 IonicContact NE-OD1 2.71Å; R80-D139 IonicContact NE-OD2 2.74Å; R80-D139 PolarHBondContact NE-OD2 3.36Å; R80-D139 IonicContact NH2-OD1 3.02Å; R80-D139 PolarHBondContact NH2-OD1 2.76Å; R80-D139 IonicContact NH2-OD2 2.65Å; R80-D139 PolarHBondContact NH2-OD2 3.06Å
81	L	93.5	Very high	94.3	Very high	74 Å²	74	50 Å²	50	39%	0.387	27%	0.265	S	S	.	.	S	Bend	trans	-67.5	-49.3	171.6	175	54.7	0	0	0	111.3	Q135 D136 Q843	L81-Q135 HydrophobicContact CB-CB 4.27Å; L81-Q135 HydrophobicContact CB-CG 4.19Å; L81-Q135 HydrophobicContact CD2-CB 3.97Å; L81-Q135 HydrophobicContact CD2-CG 4.43Å; L81-D136 PolarHBondContact N-OD1 2.93Å; L81-Q843 HydrophobicContact CD2-CB 4.49Å; L81-Q843 HydrophobicContact CD2-CG 3.96Å
82	T	95	Very high	94.3	Very high	52 Å²	52	48.3 Å²	48.3	32%	0.319	26%	0.256	S	S	.	.	S	Bend	trans	-102.1	6.9	-176.6	60.6	0	0	0	0	113.2	I84 V85 G132 S133 D136	T82-I84 PolarHBondContact O-N 3.37Å; T82-V85 WeakPolarHBondContact O-CG1 3.29Å; T82-G132 VanDerWaalsContact OG1-CA 3.28Å; T82-G132 WeakPolarHBondContact OG1-CA 3.47Å; T82-G132 PolarHBondContact OG1-N 3.12Å; T82-S133 PolarHBondContact OG1-N 2.92Å; T82-D136 WeakPolarHBondContact CB-OD2 3.32Å; T82-D136 PolarHBondContact N-OD2 3.22Å; T82-D136 PolarHBondContact OG1-OD2 2.95Å
83	G	93.6	Very high	94.2	Very high	20 Å²	20	42.7 Å²	42.7	21%	0.206	24%	0.236	C	C	.	.			trans	57	-125	178.9	0	0	0	0	0	111.6	R80	R80-G83 WeakPolarHBondContact CD-O 3.34Å; R80-G83 PolarHBondContact NH1-O 3.42Å
84	I	97	Very high	94.1	Very high	34 Å²	34	46.1 Å²	46.1	17%	0.174	25%	0.251	C	S	.	.			trans	-109.1	106.3	178.6	-59.2	177.9	0	0	0	108.4	T77 T82 A93 G128 L129	T77-I84 HydrophobicContact CG2-CD1 4.02Å; T77-I84 HydrophobicContact CG2-CG1 3.76Å; T82-I84 PolarHBondContact O-N 3.37Å; I84-A93 HydrophobicContact CD1-CB 3.43Å; I84-A93 VanDerWaalsContact CD1-CB 3.43Å; I84-G128 WeakPolarHBondContact CG2-O 3.42Å; I84-L129 HydrophobicContact CD1-CD2 3.95Å; I84-L129 HydrophobicContact CG1-CD2 4.05Å
85	V	94.8	Very high	94.3	Very high	56 Å²	56	46.2 Å²	46.2	34%	0.339	25%	0.25	S	S	.	.			trans	-93.9	-16.1	-178.3	-62.7	0	0	0	0	114	T82 R87 R130	T82-V85 WeakPolarHBondContact O-CG1 3.29Å; V85-R87 PolarHBondContact O-N 2.87Å; V85-R87 VanDerWaalsContact O-N 3.15Å; V85-R130 HydrophobicContact CG2-CG 3.99Å
86	S	95.6	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.			trans	-63.7	119.7	169.7	179.2	0	0	0	0	108.7	H66 G88 G89 S90 G128 R130	H66-S86 PolarHBondContact CD2-OG 3.5Å; H66-S86 PolarHBondContact NE2-OG 3.07Å; S86-G88 VanDerWaalsContact C-N 3.26Å; S86-G88 PolarHBondContact O-N 3.2Å; S86-G88 PolarHBondContact OG-N 3.28Å; S86-G89 PolarHBondContact O-N 2.86Å; S86-G89 PolarHBondContact OG-N 3.39Å; S86-S90 VanDerWaalsContact O-CB 3.31Å; S86-S90 WeakPolarHBondContact O-CB 3.38Å; S86-S90 PolarHBondContact O-N 3.23Å; S86-S90 PolarHBondContact O-OG 3.42Å; S86-G128 VanDerWaalsContact CB-O 3.25Å; S86-G128 WeakPolarHBondContact CB-O 3.09Å; S86-R130 VanDerWaalsContact CB-NH1 3.31Å; S86-R130 PolarHBondContact OG-NH1 3.3Å
87	R	92.8	Very high	94.3	Very high	121 Å²	121	45.1 Å²	45.1	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-56.5	-45.8	172.5	-179.4	-173.1	-61.2	161.2	1	109.9	T5 Y30 V85 S90 I91	T5-R87 VanDerWaalsContact CG2-NH1 3.28Å; Y30-R87 HydrophobicContact CD1-CG 4.32Å; Y30-R87 HydrophobicContact CE1-CB 3.93Å; Y30-R87 HydrophobicContact CE1-CG 3.64Å; V85-R87 PolarHBondContact O-N 2.87Å; V85-R87 VanDerWaalsContact O-N 3.15Å; R87-S90 PolarHBondContact O-N 3.3Å; R87-S90 PolarHBondContact O-OG 3.25Å; R87-I91 HydrophobicContact CG-CD1 4.3Å; R87-I91 WeakPolarHBondContact O-CD1 3.25Å; R87-I91 VanDerWaalsContact O-CG1 3.27Å; R87-I91 WeakPolarHBondContact O-CG1 3.48Å; R87-I91 PolarHBondContact O-N 3.4Å
88	G	92.5	Very high	94.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-43.1	176.9	0	0	0	0	0	112.7	S86 S90 I91 M92	S86-G88 VanDerWaalsContact C-N 3.26Å; S86-G88 PolarHBondContact O-N 3.2Å; S86-G88 PolarHBondContact OG-N 3.28Å; G88-S90 PolarHBondContact O-N 3.35Å; G88-I91 PolarHBondContact O-N 3.44Å; G88-M92 WeakPolarHBondContact O-CG 3.36Å; G88-M92 PolarHBondContact O-N 3.16Å
89	G	93.7	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-39.7	176.4	0	0	0	0	0	113.5	S86 I91 M92 A93	S86-G89 PolarHBondContact O-N 2.86Å; S86-G89 PolarHBondContact OG-N 3.39Å; G89-I91 PolarHBondContact O-N 3.42Å; G89-M92 PolarHBondContact O-N 3.18Å; G89-A93 WeakPolarHBondContact O-CB 3.4Å; G89-A93 PolarHBondContact O-N 3.43Å
90	S	93.7	Very high	94.7	Very high	49 Å²	49	45.1 Å²	45.1	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-66.7	-36.4	180	70.3	0	0	0	0	112.5	S86 R87 G88 K94	S86-S90 VanDerWaalsContact O-CB 3.31Å; S86-S90 WeakPolarHBondContact O-CB 3.38Å; S86-S90 PolarHBondContact O-N 3.23Å; S86-S90 PolarHBondContact O-OG 3.42Å; R87-S90 PolarHBondContact O-N 3.3Å; R87-S90 PolarHBondContact O-OG 3.25Å; G88-S90 PolarHBondContact O-N 3.35Å; S90-K94 WeakPolarHBondContact O-CB 3.49Å; S90-K94 PolarHBondContact O-N 2.91Å
91	I	96.1	Very high	94.8	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.072	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-47.6	173	-67.3	160.8	0	0	0	109.8	I29 Y30 L33 A40 L43 R87 G88 G89 K94 W95	I29-I91 HydrophobicContact CG1-CG2 3.91Å; I29-I91 HydrophobicContact CG2-CD1 4.26Å; Y30-I91 HydrophobicContact CD1-CD1 4.14Å; Y30-I91 HydrophobicContact CE1-CD1 4.34Å; L33-I91 HydrophobicContact CD2-CD1 3.6Å; L33-I91 HydrophobicContact CD2-CG1 3.94Å; A40-I91 HydrophobicContact CB-CG2 4.27Å; L43-I91 HydrophobicContact CD1-CG2 3.37Å; R87-I91 HydrophobicContact CG-CD1 4.3Å; R87-I91 WeakPolarHBondContact O-CD1 3.25Å; R87-I91 VanDerWaalsContact O-CG1 3.27Å; R87-I91 WeakPolarHBondContact O-CG1 3.48Å; R87-I91 PolarHBondContact O-N 3.4Å; G88-I91 PolarHBondContact O-N 3.44Å; G89-I91 PolarHBondContact O-N 3.42Å; I91-K94 PolarHBondContact O-N 3.47Å; I91-W95 PolarHBondContact O-N 3.02Å
92	M	97.5	Very high	94.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-39.6	-179.4	-64.3	-48.1	-56.3	0	0	112.6	I29 H66 V69 G88 G89 W95 C96 N103 F104 L105	I29-M92 HydrophobicContact CD1-SD 3.86Å; I29-M92 HydrophobicContact CG1-SD 4.02Å; H66-M92 HydrophobicContact CB-CG 4.34Å; V69-M92 HydrophobicContact CB-CB 4.35Å; V69-M92 HydrophobicContact CG1-CB 4.37Å; G88-M92 WeakPolarHBondContact O-CG 3.36Å; G88-M92 PolarHBondContact O-N 3.16Å; G89-M92 PolarHBondContact O-N 3.18Å; M92-W95 PolarHBondContact O-N 3.35Å; M92-C96 WeakPolarHBondContact O-CB 3.34Å; M92-C96 PolarHBondContact O-N 3.43Å; M92-C96 PolarHBondContact O-SG 2.57Å; M92-N103 WeakPolarHBondContact CE-OD1 3.49Å; M92-F104 HydrophobicContact CE-CD1 3.75Å; M92-F104 HydrophobicContact CE-CE1 3.5Å; M92-F104 HydrophobicContact CE-CZ 4.13Å; M92-F104 HydrophobicContact SD-CE1 4.09Å; M92-F104 HydrophobicContact SD-CZ 4.39Å; M92-L105 HydrophobicContact CE-CD1 3.79Å; M92-L105 HydrophobicContact CE-CG 3.72Å; M92-L105 HydrophobicContact CG-CD1 3.93Å; M92-L105 HydrophobicContact SD-CD1 3.68Å; M92-L105 HydrophobicContact SD-CG 4.16Å
93	A	94.7	Very high	95	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-43.8	174.3	0	0	0	0	0	111.7	V69 V74 I84 G89 W95 C96 L97	V69-A93 HydrophobicContact CG1-CB 4.41Å; V74-A93 HydrophobicContact CG1-CB 4.23Å; V74-A93 HydrophobicContact CG2-CB 4Å; I84-A93 HydrophobicContact CD1-CB 3.43Å; I84-A93 VanDerWaalsContact CD1-CB 3.43Å; G89-A93 WeakPolarHBondContact O-CB 3.4Å; G89-A93 PolarHBondContact O-N 3.43Å; A93-W95 VanDerWaalsContact C-N 3.35Å; A93-W95 PolarHBondContact O-N 3.45Å; A93-C96 PolarHBondContact O-N 3.41Å; A93-L97 WeakPolarHBondContact O-CB 3.2Å; A93-L97 VanDerWaalsContact O-CG 3.31Å; A93-L97 WeakPolarHBondContact O-CG 3.47Å; A93-L97 PolarHBondContact O-N 2.95Å
94	K	94.8	Very high	95.2	Very high	93 Å²	93	44 Å²	44	40%	0.404	22%	0.219	S	C	.	.	H	α-helix	trans	-60.1	-45.2	175.6	-174.1	171.9	-175.5	-131.7	0	111.4	A40 E41 S90 I91 L97 S98	A40-K94 HydrophobicContact CB-CB 4.26Å; A40-K94 HydrophobicContact CB-CD 3.82Å; A40-K94 HydrophobicContact CB-CG 4.1Å; E41-K94 WeakPolarHBondContact OE1-CE 3.44Å; E41-K94 IonicContact OE1-NZ 2.71Å; E41-K94 PolarHBondContact OE1-NZ 2.72Å; E41-K94 IonicContact OE2-NZ 4Å; E41-K94 PolarHBondContact OE2-NZ 2.67Å; S90-K94 WeakPolarHBondContact O-CB 3.49Å; S90-K94 PolarHBondContact O-N 2.91Å; I91-K94 PolarHBondContact O-N 3.47Å; K94-L97 PolarHBondContact O-N 3.2Å; K94-S98 WeakPolarHBondContact O-CB 3.15Å; K94-S98 PolarHBondContact O-N 3.14Å; K94-S98 PolarHBondContact O-OG 3.19Å
95	W	97.7	Very high	95.2	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-46.3	176.8	-175.9	93.5	0	0	0	112.2	A40 L43 I91 M92 A93 L97 S98 H99 Q101 E102 F104	A40-W95 VanDerWaalsContact O-CD1 3.28Å; L43-W95 PolarHBondContact O-NE1 2.85Å; I91-W95 PolarHBondContact O-N 3.02Å; M92-W95 PolarHBondContact O-N 3.35Å; A93-W95 VanDerWaalsContact C-N 3.35Å; A93-W95 PolarHBondContact O-N 3.45Å; W95-L97 VanDerWaalsContact C-N 3.34Å; W95-L97 PolarHBondContact O-N 3.31Å; W95-S98 PolarHBondContact O-N 3.35Å; W95-H99 AromaticContact CD1-CE1 3.61Å; W95-H99 AromaticContact CD1-ND1 3.69Å; W95-H99 AromaticContact CD2-ND1 3.79Å; W95-H99 AromaticContact CE2-CE1 3.92Å; W95-H99 AromaticContact CE2-ND1 3.6Å; W95-H99 AromaticContact CG-ND1 3.87Å; W95-H99 AromaticContact NE1-CE1 3.44Å; W95-H99 PolarHBondContact NE1-CE1 3.04Å; W95-H99 AromaticContact NE1-ND1 3.56Å; W95-H99 PolarHBondContact O-N 2.99Å; W95-H99 VanDerWaalsContact O-N 3.15Å; W95-H99 PolarHBondContact O-ND1 2.99Å; W95-Q101 HydrophobicContact CH2-CB 4.1Å; W95-Q101 HydrophobicContact CZ3-CB 4.14Å; W95-E102 VanDerWaalsContact CZ3-O 3.31Å; W95-E102 WeakPolarHBondContact CZ3-O 3.29Å; W95-F104 AromaticContact CD2-CD1 3.84Å; W95-F104 HydrophobicContact CD2-CD1 3.84Å; W95-F104 HydrophobicContact CD2-CE1 4.28Å; W95-F104 AromaticContact CE2-CD1 3.7Å; W95-F104 HydrophobicContact CE3-CD1 4.04Å; W95-F104 HydrophobicContact CG-CD1 4.49Å; W95-F104 HydrophobicContact CG-CE1 4.47Å; W95-F104 HydrophobicContact CH2-CB 3.91Å; W95-F104 HydrophobicContact CH2-CD1 4.04Å; W95-F104 HydrophobicContact CH2-CG 4.47Å; W95-F104 HydrophobicContact CZ2-CB 4.23Å; W95-F104 AromaticContact CZ2-CD1 3.8Å; W95-F104 HydrophobicContact CZ2-CD1 3.8Å; W95-F104 HydrophobicContact CZ2-CG 4.42Å; W95-F104 HydrophobicContact CZ3-CB 4.33Å; W95-F104 HydrophobicContact CZ3-CD1 4.15Å
96	C	96.1	Very high	95.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-42.5	179.1	-67.9	0	0	0	0	111.6	L71 M92 A93 H100 Q101	L71-C96 HydrophobicContact CB-CB 4.42Å; L71-C96 HydrophobicContact CD1-CB 3.95Å; M92-C96 WeakPolarHBondContact O-CB 3.34Å; M92-C96 PolarHBondContact O-N 3.43Å; M92-C96 PolarHBondContact O-SG 2.57Å; A93-C96 PolarHBondContact O-N 3.41Å; C96-H100 WeakPolarHBondContact O-CA 3.32Å; C96-H100 PolarHBondContact O-N 2.98Å; C96-Q101 PolarHBondContact O-N 2.97Å
97	L	92.5	Very high	95.5	Very high	105 Å²	105	47.5 Å²	47.5	55%	0.55	23%	0.229	S	C	.	.	H	α-helix	trans	-67.9	-41.1	179.1	-71.5	174.5	0	0	0	112.6	V74 A93 K94 W95	V74-L97 HydrophobicContact CG1-CD1 3.89Å; V74-L97 HydrophobicContact CG1-CD2 4.01Å; V74-L97 HydrophobicContact CG1-CG 3.98Å; A93-L97 WeakPolarHBondContact O-CB 3.2Å; A93-L97 VanDerWaalsContact O-CG 3.31Å; A93-L97 WeakPolarHBondContact O-CG 3.47Å; A93-L97 PolarHBondContact O-N 2.95Å; K94-L97 PolarHBondContact O-N 3.2Å; W95-L97 VanDerWaalsContact C-N 3.34Å; W95-L97 PolarHBondContact O-N 3.31Å
98	S	93.7	Very high	95.7	Very high	64 Å²	64	44 Å²	44	45%	0.448	22%	0.218	S	C	.	.	H	α-helix	trans	-68.4	-34.6	-179	-67.6	0	0	0	0	113.1	E41 K94 W95	E41-S98 VanDerWaalsContact CG-OG 3.31Å; E41-S98 WeakPolarHBondContact CG-OG 3.39Å; K94-S98 WeakPolarHBondContact O-CB 3.15Å; K94-S98 PolarHBondContact O-N 3.14Å; K94-S98 PolarHBondContact O-OG 3.19Å; W95-S98 PolarHBondContact O-N 3.35Å
99	H	94.9	Very high	96	Very high	74 Å²	74	44.2 Å²	44.2	34%	0.343	22%	0.218	S	C	.	.	H	α-helix	trans	-96.3	-15.5	180	-62.7	93.1	0	0	0	113.8	E41 W95 Q101	E41-H99 PolarHBondContact O-CE1 3.15Å; E41-H99 PolarHBondContact O-NE2 3.23Å; W95-H99 AromaticContact CD1-CE1 3.61Å; W95-H99 AromaticContact CD1-ND1 3.69Å; W95-H99 AromaticContact CD2-ND1 3.79Å; W95-H99 AromaticContact CE2-CE1 3.92Å; W95-H99 AromaticContact CE2-ND1 3.6Å; W95-H99 AromaticContact CG-ND1 3.87Å; W95-H99 AromaticContact NE1-CE1 3.44Å; W95-H99 PolarHBondContact NE1-CE1 3.04Å; W95-H99 AromaticContact NE1-ND1 3.56Å; W95-H99 PolarHBondContact O-N 2.99Å; W95-H99 VanDerWaalsContact O-N 3.15Å; W95-H99 PolarHBondContact O-ND1 2.99Å; H99-Q101 HydrophobicContact CB-CB 4.08Å; H99-Q101 HydrophobicContact CB-CG 4.08Å; H99-Q101 PolarHBondContact O-N 3.11Å
100	H	93.4	Very high	96.2	Very high	153 Å²	153	49.5 Å²	49.5	71%	0.708	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.6	-168.3	-152.7	74	0	0	0	112.3	C96	C96-H100 WeakPolarHBondContact O-CA 3.32Å; C96-H100 PolarHBondContact O-N 2.98Å
101	Q	96.3	Very high	96.4	Very high	98 Å²	98	50.7 Å²	50.7	46%	0.458	24%	0.239	S	C	.	.			trans	-122	154.5	-178.7	-71.6	177	18.6	0	0	110.1	W95 C96 H99	W95-Q101 HydrophobicContact CH2-CB 4.1Å; W95-Q101 HydrophobicContact CZ3-CB 4.14Å; C96-Q101 PolarHBondContact O-N 2.97Å; H99-Q101 HydrophobicContact CB-CB 4.08Å; H99-Q101 HydrophobicContact CB-CG 4.08Å; H99-Q101 PolarHBondContact O-N 3.11Å
102	E	97.3	Very high	96.5	Very high	39 Å²	39	50 Å²	50	18%	0.182	24%	0.235	C	C	.	.			trans	-65.6	148.5	174.1	-173.1	59	-74.6	0	0	110.3	L70 L71 R72 W95 F104 Y106 Q107	L70-E102 WeakPolarHBondContact CA-OE1 3.26Å; L70-E102 WeakPolarHBondContact CB-OE1 3.29Å; L71-E102 PolarHBondContact N-OE1 3.22Å; R72-E102 IonicContact NH1-OE2 3.68Å; R72-E102 PolarHBondContact NH1-OE2 3.38Å; R72-E102 VanDerWaalsContact NH1-OE2 3.17Å; W95-E102 VanDerWaalsContact CZ3-O 3.31Å; W95-E102 WeakPolarHBondContact CZ3-O 3.29Å; E102-F104 PolarHBondContact O-N 3.01Å; E102-F104 VanDerWaalsContact O-N 3.14Å; E102-Y106 HydrophobicContact CG-CD1 4.01Å; E102-Q107 HydrophobicContact CB-CG 4.37Å; E102-Q107 HydrophobicContact CG-CG 4.45Å
103	N	96.9	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.			trans	-48.8	117.7	-179	-180	-25.4	0	0	0	111.7	H66 V69 L70 M92 L105 Y106 Q107	H66-N103 PolarHBondContact O-ND2 2.76Å; V69-N103 VanDerWaalsContact O-CB 3.27Å; V69-N103 WeakPolarHBondContact O-CB 3.35Å; V69-N103 PolarHBondContact O-ND2 3.46Å; L70-N103 HydrophobicContact CD2-CB 4.4Å; M92-N103 WeakPolarHBondContact CE-OD1 3.49Å; N103-L105 PolarHBondContact O-N 2.82Å; N103-L105 WeakPolarHBondContact OD1-CA 3.5Å; N103-L105 WeakPolarHBondContact OD1-CB 3.34Å; N103-L105 WeakPolarHBondContact OD1-CG 3.26Å; N103-L105 PolarHBondContact OD1-N 2.86Å; N103-Y106 WeakPolarHBondContact O-CA 3.34Å; N103-Y106 VanDerWaalsContact O-CB 3.28Å; N103-Y106 WeakPolarHBondContact O-CB 3.29Å; N103-Y106 PolarHBondContact O-N 3.23Å; N103-Q107 PolarHBondContact O-N 3.41Å
104	F	97.1	Very high	96.7	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.022	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-25.5	-177.1	74.2	-97.3	0	0	0	112.9	I29 L43 W45 F48 M92 W95 E102 Y106 Q107 H108	I29-F104 HydrophobicContact CD1-CZ 4.1Å; L43-F104 HydrophobicContact CB-CE1 4.36Å; W45-F104 HydrophobicContact CB-CD2 4.37Å; W45-F104 HydrophobicContact CE3-CD2 4.29Å; W45-F104 HydrophobicContact CE3-CE2 4.48Å; F48-F104 HydrophobicContact CB-CE2 3.75Å; F48-F104 HydrophobicContact CB-CZ 4.15Å; F48-F104 HydrophobicContact CD1-CE2 4.19Å; F48-F104 AromaticContact CG-CE2 3.95Å; F48-F104 HydrophobicContact CG-CE2 3.95Å; F48-F104 HydrophobicContact CG-CZ 4.36Å; M92-F104 HydrophobicContact CE-CD1 3.75Å; M92-F104 HydrophobicContact CE-CE1 3.5Å; M92-F104 HydrophobicContact CE-CZ 4.13Å; M92-F104 HydrophobicContact SD-CE1 4.09Å; M92-F104 HydrophobicContact SD-CZ 4.39Å; W95-F104 AromaticContact CD2-CD1 3.84Å; W95-F104 HydrophobicContact CD2-CD1 3.84Å; W95-F104 HydrophobicContact CD2-CE1 4.28Å; W95-F104 AromaticContact CE2-CD1 3.7Å; W95-F104 HydrophobicContact CE3-CD1 4.04Å; W95-F104 HydrophobicContact CG-CD1 4.49Å; W95-F104 HydrophobicContact CG-CE1 4.47Å; W95-F104 HydrophobicContact CH2-CB 3.91Å; W95-F104 HydrophobicContact CH2-CD1 4.04Å; W95-F104 HydrophobicContact CH2-CG 4.47Å; W95-F104 HydrophobicContact CZ2-CB 4.23Å; W95-F104 AromaticContact CZ2-CD1 3.8Å; W95-F104 HydrophobicContact CZ2-CD1 3.8Å; W95-F104 HydrophobicContact CZ2-CG 4.42Å; W95-F104 HydrophobicContact CZ3-CB 4.33Å; W95-F104 HydrophobicContact CZ3-CD1 4.15Å; E102-F104 PolarHBondContact O-N 3.01Å; E102-F104 VanDerWaalsContact O-N 3.14Å; F104-Y106 VanDerWaalsContact C-N 3.29Å; F104-Y106 PolarHBondContact O-N 3.36Å; F104-Q107 PolarHBondContact O-N 3.36Å; F104-H108 WeakPolarHBondContact O-CB 3.39Å; F104-H108 PolarHBondContact O-CD2 3.05Å; F104-H108 VanDerWaalsContact O-CD2 3.26Å; F104-H108 PolarHBondContact O-N 2.79Å
105	L	98	Very high	96.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-34.5	173.8	-53.7	177.1	0	0	0	111.6	F48 I65 A67 M92 N103 F109 I112	F48-L105 HydrophobicContact CD1-CD2 3.5Å; F48-L105 HydrophobicContact CD2-CD2 4.14Å; F48-L105 HydrophobicContact CE1-CD2 3.25Å; F48-L105 HydrophobicContact CE2-CD2 3.92Å; F48-L105 HydrophobicContact CG-CD2 3.94Å; F48-L105 HydrophobicContact CZ-CD2 3.49Å; F48-L105 VanDerWaalsContact CZ-CD2 3.49Å; I65-L105 HydrophobicContact CG2-CB 4.34Å; I65-L105 HydrophobicContact CG2-CD1 4.15Å; A67-L105 HydrophobicContact CB-CB 4.01Å; M92-L105 HydrophobicContact CE-CD1 3.79Å; M92-L105 HydrophobicContact CE-CG 3.72Å; M92-L105 HydrophobicContact CG-CD1 3.93Å; M92-L105 HydrophobicContact SD-CD1 3.68Å; M92-L105 HydrophobicContact SD-CG 4.16Å; N103-L105 PolarHBondContact O-N 2.82Å; N103-L105 WeakPolarHBondContact OD1-CA 3.5Å; N103-L105 WeakPolarHBondContact OD1-CB 3.34Å; N103-L105 WeakPolarHBondContact OD1-CG 3.26Å; N103-L105 PolarHBondContact OD1-N 2.86Å; L105-F109 WeakPolarHBondContact O-CA 3.33Å; L105-F109 WeakPolarHBondContact O-CB 3.32Å; L105-F109 PolarHBondContact O-N 2.79Å; L105-I112 HydrophobicContact CB-CD1 4.43Å; L105-I112 HydrophobicContact CD2-CD1 4.36Å
106	Y	98.1	Very high	96.9	Very high	58 Å²	58	51.2 Å²	51.2	23%	0.227	24%	0.242	C	C	.	.	H	α-helix	trans	-71.1	-45	172.5	179.7	-94.7	0	0	0	110.9	A67 L70 E102 N103 F104 H108 F109 T148 L152	A67-Y106 WeakPolarHBondContact O-CB 3.33Å; L70-Y106 HydrophobicContact CD1-CD2 4.42Å; L70-Y106 HydrophobicContact CD1-CE2 4.19Å; L70-Y106 HydrophobicContact CD2-CD1 4.07Å; L70-Y106 HydrophobicContact CD2-CD2 3.47Å; L70-Y106 VanDerWaalsContact CD2-CD2 3.47Å; L70-Y106 HydrophobicContact CD2-CE2 4.05Å; L70-Y106 HydrophobicContact CD2-CG 3.46Å; L70-Y106 VanDerWaalsContact CD2-CG 3.46Å; E102-Y106 HydrophobicContact CG-CD1 4.01Å; N103-Y106 WeakPolarHBondContact O-CA 3.34Å; N103-Y106 VanDerWaalsContact O-CB 3.28Å; N103-Y106 WeakPolarHBondContact O-CB 3.29Å; N103-Y106 PolarHBondContact O-N 3.23Å; F104-Y106 VanDerWaalsContact C-N 3.29Å; F104-Y106 PolarHBondContact O-N 3.36Å; Y106-H108 VanDerWaalsContact C-N 3.33Å; Y106-H108 PolarHBondContact O-N 3.46Å; Y106-F109 WeakPolarHBondContact O-CB 3.47Å; Y106-F109 PolarHBondContact O-N 3.1Å; Y106-T148 HydrophobicContact CD2-CG2 4.23Å; Y106-T148 HydrophobicContact CE2-CG2 3.89Å; Y106-L152 HydrophobicContact CD2-CD2 4.03Å; Y106-L152 HydrophobicContact CE2-CD2 4.19Å
107	Q	97.7	Very high	96.9	Very high	106 Å²	106	53.7 Å²	53.7	50%	0.495	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-38.3	-179.2	-66	-178.8	-36.5	0	0	112.9	E102 N103 F104	E102-Q107 HydrophobicContact CB-CG 4.37Å; E102-Q107 HydrophobicContact CG-CG 4.45Å; N103-Q107 PolarHBondContact O-N 3.41Å; F104-Q107 PolarHBondContact O-N 3.36Å
108	H	97.9	Very high	97.2	Very high	48 Å²	48	52.3 Å²	52.3	22%	0.222	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	17.6	-178.7	-64.9	-78.1	0	0	0	113.2	W45 F104 Y106 R110 E111 I112	W45-H108 AromaticContact CD1-CE1 3.74Å; W45-H108 AromaticContact CD1-ND1 3.77Å; W45-H108 HydrophobicContact CD2-CB 3.79Å; W45-H108 AromaticContact CD2-CD2 3.99Å; W45-H108 AromaticContact CD2-CG 3.69Å; W45-H108 AromaticContact CE2-CG 3.94Å; W45-H108 AromaticContact CE2-ND1 3.98Å; W45-H108 HydrophobicContact CE3-CB 3.71Å; W45-H108 HydrophobicContact CG-CB 4.47Å; W45-H108 AromaticContact CG-CD2 3.78Å; W45-H108 AromaticContact CG-CG 3.85Å; W45-H108 AromaticContact CG-NE2 3.91Å; W45-H108 HydrophobicContact CH2-CB 4.03Å; W45-H108 HydrophobicContact CZ2-CB 4.09Å; W45-H108 HydrophobicContact CZ3-CB 3.81Å; W45-H108 AromaticContact NE1-ND1 3.71Å; F104-H108 WeakPolarHBondContact O-CB 3.39Å; F104-H108 PolarHBondContact O-CD2 3.05Å; F104-H108 VanDerWaalsContact O-CD2 3.26Å; F104-H108 PolarHBondContact O-N 2.79Å; Y106-H108 VanDerWaalsContact C-N 3.33Å; Y106-H108 PolarHBondContact O-N 3.46Å; H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact O-N 3.05Å; H108-E111 IonicContact CE1-OE1 2.66Å; H108-E111 IonicContact CG-OE1 3.64Å; H108-E111 IonicContact ND1-OE1 3.56Å; H108-E111 PolarHBondContact ND1-OE1 3.17Å; H108-E111 PolarHBondContact O-N 3.3Å; H108-I112 PolarHBondContact O-N 3.31Å; H108-I112 VanDerWaalsContact O-N 3.08Å
109	F	98.4	Very high	97.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-33.4	-173.5	-168	-100.2	0	0	0	113.8	A67 L105 Y106 I112 C113 L123 L125 L152 I155 A156	A67-F109 HydrophobicContact CB-CD2 3.74Å; A67-F109 HydrophobicContact CB-CE2 4.05Å; L105-F109 WeakPolarHBondContact O-CA 3.33Å; L105-F109 WeakPolarHBondContact O-CB 3.32Å; L105-F109 PolarHBondContact O-N 2.79Å; Y106-F109 WeakPolarHBondContact O-CB 3.47Å; Y106-F109 PolarHBondContact O-N 3.1Å; F109-I112 WeakPolarHBondContact O-CB 3.43Å; F109-I112 PolarHBondContact O-N 3.42Å; F109-C113 VanDerWaalsContact CE1-SG 3.59Å; F109-C113 PolarHBondContact O-N 3.11Å; F109-C113 PolarHBondContact O-SG 3.08Å; F109-L123 HydrophobicContact CE2-CD1 4.45Å; F109-L123 HydrophobicContact CZ-CD1 3.94Å; F109-L125 HydrophobicContact CE2-CD2 3.72Å; F109-L125 HydrophobicContact CZ-CD2 3.77Å; F109-L152 HydrophobicContact CB-CD2 4.21Å; F109-L152 HydrophobicContact CD1-CB 4.47Å; F109-L152 HydrophobicContact CD1-CD2 3.64Å; F109-L152 HydrophobicContact CD2-CD1 4.4Å; F109-L152 HydrophobicContact CD2-CD2 3.89Å; F109-L152 HydrophobicContact CE1-CB 3.86Å; F109-L152 HydrophobicContact CE1-CD2 3.91Å; F109-L152 HydrophobicContact CE1-CG 4.44Å; F109-L152 VanDerWaalsContact CE1-O 3.3Å; F109-L152 WeakPolarHBondContact CE1-O 3.49Å; F109-L152 HydrophobicContact CE2-CB 4.18Å; F109-L152 HydrophobicContact CE2-CD1 4.19Å; F109-L152 HydrophobicContact CE2-CD2 4.15Å; F109-L152 HydrophobicContact CE2-CG 4.4Å; F109-L152 HydrophobicContact CG-CD2 3.63Å; F109-L152 HydrophobicContact CZ-CB 3.7Å; F109-L152 HydrophobicContact CZ-CD2 4.16Å; F109-L152 HydrophobicContact CZ-CG 4.34Å; F109-I155 HydrophobicContact CD1-CB 4.19Å; F109-I155 HydrophobicContact CD1-CG2 3.84Å; F109-I155 HydrophobicContact CE1-CB 4.16Å; F109-I155 HydrophobicContact CE1-CG2 4.16Å; F109-A156 HydrophobicContact CE1-CB 4.23Å; F109-A156 HydrophobicContact CZ-CB 4.41Å
110	R	98.3	Very high	97.4	Very high	110 Å²	110	55.3 Å²	55.3	42%	0.415	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-41	174.8	-72.9	-176	176.6	-81.8	-6.4	112.7	H108 I112 C113 E114 I155 E158 Y159	H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact O-N 3.05Å; R110-I112 VanDerWaalsContact C-N 3.3Å; R110-I112 PolarHBondContact O-N 3.38Å; R110-C113 WeakPolarHBondContact O-CB 3.4Å; R110-C113 PolarHBondContact O-N 3.47Å; R110-E114 PolarHBondContact O-N 3.29Å; R110-E114 VanDerWaalsContact O-N 3.08Å; R110-I155 HydrophobicContact CG-CG2 3.99Å; R110-E158 IonicContact CZ-OE2 2.78Å; R110-E158 IonicContact NH1-OE2 2.88Å; R110-E158 PolarHBondContact NH1-OE2 2.84Å; R110-E158 IonicContact NH2-OE1 3Å; R110-E158 IonicContact NH2-OE2 3.94Å; R110-E158 PolarHBondContact NH2-OE2 2.91Å; R110-Y159 HydrophobicContact CB-CE2 4.45Å; R110-Y159 HydrophobicContact CG-CE2 4.15Å; R110-Y159 PolarHBondContact NH1-OH 3.06Å
111	E	97.8	Very high	97.7	Very high	75 Å²	75	48.2 Å²	48.2	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-33.8	175.1	-65.2	173.5	-115.4	0	0	111.2	W45 H108 C113 E114 I115	W45-E111 HydrophobicContact CH2-CB 3.95Å; W45-E111 HydrophobicContact CZ2-CB 3.52Å; W45-E111 HydrophobicContact CZ2-CG 4.33Å; W45-E111 WeakPolarHBondContact CZ2-OE2 3.4Å; W45-E111 PolarHBondContact NE1-OE2 2.89Å; H108-E111 IonicContact CE1-OE1 2.66Å; H108-E111 IonicContact CG-OE1 3.64Å; H108-E111 IonicContact ND1-OE1 3.56Å; H108-E111 PolarHBondContact ND1-OE1 3.17Å; H108-E111 PolarHBondContact O-N 3.3Å; E111-C113 VanDerWaalsContact C-N 3.34Å; E111-E114 PolarHBondContact O-N 3.05Å; E111-I115 WeakPolarHBondContact O-CG1 3.39Å; E111-I115 PolarHBondContact O-N 2.98Å
112	I	98.3	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-43.6	171.5	-64.4	174.4	0	0	0	110.6	W45 F48 L52 I65 L105 H108 F109 R110 E114 I115 C116 L123	W45-I112 HydrophobicContact CH2-CG1 3.7Å; W45-I112 HydrophobicContact CZ3-CD1 4.16Å; W45-I112 HydrophobicContact CZ3-CG1 3.68Å; F48-I112 HydrophobicContact CE1-CD1 4.08Å; L52-I112 HydrophobicContact CD1-CG1 4.09Å; L52-I112 HydrophobicContact CD1-CG2 4.36Å; I65-I112 HydrophobicContact CD1-CD1 4.44Å; I65-I112 HydrophobicContact CD1-CG2 3.43Å; I65-I112 VanDerWaalsContact CD1-CG2 3.43Å; I65-I112 HydrophobicContact CG2-CD1 4.25Å; L105-I112 HydrophobicContact CB-CD1 4.43Å; L105-I112 HydrophobicContact CD2-CD1 4.36Å; H108-I112 PolarHBondContact O-N 3.31Å; H108-I112 VanDerWaalsContact O-N 3.08Å; F109-I112 WeakPolarHBondContact O-CB 3.43Å; F109-I112 PolarHBondContact O-N 3.42Å; R110-I112 VanDerWaalsContact C-N 3.3Å; R110-I112 PolarHBondContact O-N 3.38Å; I112-E114 PolarHBondContact O-N 3.15Å; I112-I115 PolarHBondContact O-N 3.18Å; I112-C116 PolarHBondContact O-N 3.38Å; I112-C116 PolarHBondContact O-SG 3.49Å; I112-L123 HydrophobicContact CG2-CD2 4.17Å
113	C	98.4	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-40.6	177.8	-63.8	0	0	0	0	112	F109 R110 E111 I115 C116 A117 Y159 V161	F109-C113 VanDerWaalsContact CE1-SG 3.59Å; F109-C113 PolarHBondContact O-N 3.11Å; F109-C113 PolarHBondContact O-SG 3.08Å; R110-C113 WeakPolarHBondContact O-CB 3.4Å; R110-C113 PolarHBondContact O-N 3.47Å; E111-C113 VanDerWaalsContact C-N 3.34Å; C113-I115 VanDerWaalsContact C-N 3.31Å; C113-I115 PolarHBondContact O-N 2.9Å; C113-C116 PolarHBondContact O-N 3.39Å; C113-A117 VanDerWaalsContact O-CB 3.32Å; C113-A117 WeakPolarHBondContact O-CB 3.24Å; C113-A117 PolarHBondContact O-N 3.27Å; C113-Y159 HydrophobicContact CB-CD1 4.24Å; C113-Y159 HydrophobicContact CB-CD2 3.78Å; C113-Y159 HydrophobicContact CB-CE2 4.33Å; C113-Y159 HydrophobicContact CB-CG 3.74Å; C113-V161 HydrophobicContact CB-CG2 4.27Å; C113-V161 WeakPolarHBondContact O-CG2 3.38Å
114	E	97.7	Very high	97.9	Very high	115 Å²	115	43 Å²	43	54%	0.537	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-40.7	175.1	-70.6	175.2	-177.4	0	0	112.3	R110 E111 I112 A118 Y159	R110-E114 PolarHBondContact O-N 3.29Å; R110-E114 VanDerWaalsContact O-N 3.08Å; E111-E114 PolarHBondContact O-N 3.05Å; I112-E114 PolarHBondContact O-N 3.15Å; E114-A118 PolarHBondContact O-N 3.38Å; E114-Y159 HydrophobicContact CG-CD1 4.13Å; E114-Y159 HydrophobicContact CG-CE1 3.77Å
115	I	97.4	Very high	98	Very high	20 Å²	20	42.8 Å²	42.8	10%	0.103	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-48	175.8	-64.7	166.3	0	0	0	110.4	W45 R49 L52 L53 E111 I112 C113 A117 A118 Y119	W45-I115 HydrophobicContact CH2-CD1 4.48Å; R49-I115 HydrophobicContact CG-CD1 3.83Å; L52-I115 HydrophobicContact CB-CD1 4.43Å; L52-I115 HydrophobicContact CB-CG2 4.18Å; L52-I115 HydrophobicContact CD1-CD1 4.07Å; L53-I115 HydrophobicContact CD2-CG2 4.15Å; E111-I115 WeakPolarHBondContact O-CG1 3.39Å; E111-I115 PolarHBondContact O-N 2.98Å; I112-I115 PolarHBondContact O-N 3.18Å; C113-I115 VanDerWaalsContact C-N 3.31Å; C113-I115 PolarHBondContact O-N 2.9Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.43Å; I115-A118 PolarHBondContact O-N 3.22Å; I115-Y119 WeakPolarHBondContact O-CD2 3.48Å
116	C	98.2	Very high	97.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-40.4	-177.7	-64.9	0	0	0	0	112	I112 C113 A118 Y119 D120 V121 V161	I112-C116 PolarHBondContact O-N 3.38Å; I112-C116 PolarHBondContact O-SG 3.49Å; C113-C116 PolarHBondContact O-N 3.39Å; C116-A118 VanDerWaalsContact C-N 3.27Å; C116-A118 PolarHBondContact O-N 3.36Å; C116-Y119 PolarHBondContact O-N 3.41Å; C116-D120 WeakPolarHBondContact O-CA 3.48Å; C116-D120 PolarHBondContact O-N 3.01Å; C116-V121 HydrophobicContact CB-CB 4.45Å; C116-V121 WeakPolarHBondContact CB-O 3.34Å; C116-V121 PolarHBondContact O-N 3.34Å; C116-V121 VanDerWaalsContact O-N 3.09Å; C116-V161 HydrophobicContact CB-CG1 3.88Å; C116-V161 HydrophobicContact CB-CG2 4.16Å
117	A	97.5	Very high	97.8	Very high	52 Å²	52	40.4 Å²	40.4	43%	0.43	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-31.4	176.9	0	0	0	0	0	113	C113 I115 Y119 V161	C113-A117 VanDerWaalsContact O-CB 3.32Å; C113-A117 WeakPolarHBondContact O-CB 3.24Å; C113-A117 PolarHBondContact O-N 3.27Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.43Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.45Å; A117-V161 HydrophobicContact CB-CG2 3.94Å
118	A	97.2	Very high	97.8	Very high	75 Å²	75	35.4 Å²	35.4	62%	0.62	19%	0.186	S	C	*	.	H	α-helix	trans	-71.3	-22.2	-179.8	0	0	0	0	0	113.8	E114 I115 C116	E114-A118 PolarHBondContact O-N 3.38Å; I115-A118 PolarHBondContact O-N 3.22Å; C116-A118 VanDerWaalsContact C-N 3.27Å; C116-A118 PolarHBondContact O-N 3.36Å
119	Y	97.6	Very high	97.8	Very high	95 Å²	95	33.1 Å²	33.1	37%	0.373	18%	0.176	S	C	.	.	H	α-helix	trans	-122.8	0.5	-175.2	-65.1	-97.7	0	0	0	113.7	L53 A56 E57 I115 C116 A117 V121	L53-Y119 HydrophobicContact CD2-CE2 4.21Å; A56-Y119 HydrophobicContact CB-CD1 3.85Å; A56-Y119 HydrophobicContact CB-CD2 3.76Å; A56-Y119 HydrophobicContact CB-CE1 4.24Å; A56-Y119 HydrophobicContact CB-CE2 4.18Å; A56-Y119 HydrophobicContact CB-CG 3.6Å; E57-Y119 HydrophobicContact CG-CE1 3.82Å; I115-Y119 WeakPolarHBondContact O-CD2 3.48Å; C116-Y119 PolarHBondContact O-N 3.41Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.45Å; Y119-V121 VanDerWaalsContact C-N 3.32Å
120	D	96.8	Very high	97.7	Very high	107 Å²	107	34.8 Å²	34.8	57%	0.572	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	44.9	-171.8	-168	23.5	0	0	0	113.1	C116 Q162	C116-D120 WeakPolarHBondContact O-CA 3.48Å; C116-D120 PolarHBondContact O-N 3.01Å; D120-Q162 PolarHBondContact OD1-NE2 3.17Å
121	V	98.1	Very high	97.7	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.024	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-87.1	122.5	173.3	-174.2	0	0	0	0	108.6	A56 V60 F63 C116 Y119	A56-V121 HydrophobicContact CB-CG2 4.17Å; V60-V121 WeakPolarHBondContact O-CG2 3.49Å; F63-V121 HydrophobicContact CB-CG1 4.42Å; F63-V121 HydrophobicContact CD1-CG1 4.08Å; F63-V121 HydrophobicContact CD2-CB 4.26Å; F63-V121 HydrophobicContact CD2-CG1 3.46Å; F63-V121 VanDerWaalsContact CD2-CG1 3.46Å; F63-V121 HydrophobicContact CE1-CG1 4.2Å; F63-V121 HydrophobicContact CE2-CB 4.1Å; F63-V121 HydrophobicContact CE2-CG1 3.59Å; F63-V121 HydrophobicContact CE2-CG2 4.14Å; F63-V121 HydrophobicContact CG-CG1 3.72Å; F63-V121 HydrophobicContact CZ-CG1 3.96Å; F63-V121 HydrophobicContact CZ-CG2 4.32Å; C116-V121 HydrophobicContact CB-CB 4.45Å; C116-V121 WeakPolarHBondContact CB-O 3.34Å; C116-V121 PolarHBondContact O-N 3.34Å; C116-V121 VanDerWaalsContact O-N 3.09Å; Y119-V121 VanDerWaalsContact C-N 3.32Å
122	S	98.4	Very high	97.6	Very high	27 Å²	27	26.6 Å²	26.6	19%	0.189	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142.3	176.1	-61.8	0	0	0	0	111.1	D61 Y62 F63 Q162	D61-S122 PolarHBondContact O-N 3.05Å; Y62-S122 CarbonylContact C-O 3.49Å; Y62-S122 WeakPolarHBondContact CA-O 3.44Å; Y62-S122 VanDerWaalsContact CB-O 3.29Å; Y62-S122 WeakPolarHBondContact CB-O 3.49Å; F63-S122 PolarHBondContact N-O 3.1Å; S122-Q162 CarbonylContact C-O 3.47Å; S122-Q162 WeakPolarHBondContact CA-O 3.39Å; S122-Q162 WeakPolarHBondContact OG-CB 3.46Å
123	L	98.5	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.2	172.3	-72.3	174.2	0	0	0	110.1	I65 F109 I112 L125 A156 V161 Q162 V163 M164	I65-L123 HydrophobicContact CD1-CD2 3.66Å; I65-L123 HydrophobicContact CG1-CD2 4.33Å; F109-L123 HydrophobicContact CE2-CD1 4.45Å; F109-L123 HydrophobicContact CZ-CD1 3.94Å; I112-L123 HydrophobicContact CG2-CD2 4.17Å; L123-L125 HydrophobicContact CB-CD2 4.42Å; L123-A156 HydrophobicContact CD1-CB 3.88Å; L123-V161 HydrophobicContact CB-CG1 4.4Å; L123-V161 HydrophobicContact CD1-CG1 3.7Å; L123-V161 HydrophobicContact CG-CG1 3.72Å; L123-Q162 PolarHBondContact N-O 3.42Å; L123-V163 HydrophobicContact CB-CG2 4.43Å; L123-V163 CarbonylContact O-C 3.58Å; L123-V163 WeakPolarHBondContact O-CA 3.45Å; L123-M164 PolarHBondContact O-N 2.87Å
124	S	98.4	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	96.5	163.3	-161.6	0	0	0	0	106.9	F63 T64 I65 G126 M164 E166	F63-S124 WeakPolarHBondContact O-CA 3.41Å; F63-S124 WeakPolarHBondContact O-CB 3.42Å; F63-S124 PolarHBondContact O-N 3.01Å; F63-S124 VanDerWaalsContact O-O 3.13Å; T64-S124 WeakPolarHBondContact CA-O 3.28Å; I65-S124 PolarHBondContact N-O 3.24Å; S124-G126 PolarHBondContact O-N 2.94Å; S124-M164 WeakPolarHBondContact CA-O 3.2Å; S124-M164 WeakPolarHBondContact OG-CE 3.39Å; S124-E166 WeakPolarHBondContact CB-OE1 3.48Å; S124-E166 VanDerWaalsContact OG-CD 3.29Å; S124-E166 WeakPolarHBondContact OG-CG 3.38Å; S124-E166 PolarHBondContact OG-OE1 2.94Å
125	L	98.5	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	108.5	-176.3	-70.6	-178.5	0	0	0	109.3	F109 L123 L149 L152 V163 M164 I165 E166	F109-L125 HydrophobicContact CE2-CD2 3.72Å; F109-L125 HydrophobicContact CZ-CD2 3.77Å; L123-L125 HydrophobicContact CB-CD2 4.42Å; L125-L149 HydrophobicContact CB-CB 4.38Å; L125-L149 HydrophobicContact CB-CD1 4.27Å; L125-L149 HydrophobicContact CB-CD2 4.18Å; L125-L149 HydrophobicContact CB-CG 4.48Å; L125-L149 HydrophobicContact CD1-CB 4.37Å; L125-L149 WeakPolarHBondContact CD1-O 3.49Å; L125-L152 HydrophobicContact CD1-CB 3.9Å; L125-L152 HydrophobicContact CD2-CB 4.46Å; L125-V163 HydrophobicContact CD1-CG1 3.7Å; L125-V163 HydrophobicContact CG-CG1 3.99Å; L125-M164 PolarHBondContact N-O 2.76Å; L125-I165 HydrophobicContact CB-CD1 4.07Å; L125-I165 HydrophobicContact CD1-CD1 3.84Å; L125-I165 HydrophobicContact CG-CD1 4.43Å; L125-E166 VanDerWaalsContact O-CB 3.3Å; L125-E166 WeakPolarHBondContact O-CB 3.46Å; L125-E166 PolarHBondContact O-N 2.76Å
126	G	95.8	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.			trans	-72.7	140.7	-164.3	0	0	0	0	0	113.1	I65 S124 G128	I65-G126 PolarHBondContact O-N 2.89Å; S124-G126 PolarHBondContact O-N 2.94Å; G126-G128 VanDerWaalsContact C-N 3.27Å; G126-G128 PolarHBondContact O-N 3.47Å; G126-G128 VanDerWaalsContact O-N 3.1Å
127	D	97.4	Very high	97.4	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.053	15%	0.148	C	C	.	.			trans	-87.7	63.3	178.4	64.5	-7.5	0	0	0	110.4	L129 R130 E145 E166 G167	D127-L129 PolarHBondContact O-N 3.36Å; D127-R130 HydrophobicContact CB-CB 3.86Å; D127-R130 VanDerWaalsContact O-CB 3.27Å; D127-R130 WeakPolarHBondContact O-CB 3.41Å; D127-R130 VanDerWaalsContact O-CG 3.3Å; D127-R130 WeakPolarHBondContact O-CG 3.17Å; D127-R130 PolarHBondContact O-N 3.46Å; D127-R130 PolarHBondContact O-NH1 2.79Å; D127-R130 IonicContact OD1-CZ 2.7Å; D127-R130 IonicContact OD1-NH1 3.7Å; D127-R130 PolarHBondContact OD1-NH1 3.31Å; D127-R130 VanDerWaalsContact OD2-CB 3.26Å; D127-R130 WeakPolarHBondContact OD2-CB 3.36Å; D127-R130 WeakPolarHBondContact OD2-CD 3.34Å; D127-E145 WeakPolarHBondContact CA-OE2 3.25Å; D127-E166 HydrophobicContact CB-CB 3.96Å; D127-G167 VanDerWaalsContact OD2-C 3.27Å
128	G	96.9	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.3	-175.8	0	0	0	0	0	113.6	H66 I84 S86 G126 E145	H66-G128 VanDerWaalsContact CD2-CA 3.47Å; H66-G128 WeakPolarHBondContact CD2-CA 3.29Å; I84-G128 WeakPolarHBondContact CG2-O 3.42Å; S86-G128 VanDerWaalsContact CB-O 3.25Å; S86-G128 WeakPolarHBondContact CB-O 3.09Å; G126-G128 VanDerWaalsContact C-N 3.27Å; G126-G128 PolarHBondContact O-N 3.47Å; G126-G128 VanDerWaalsContact O-N 3.1Å; G128-E145 VanDerWaalsContact CA-OE1 3.24Å; G128-E145 WeakPolarHBondContact CA-OE1 3.38Å; G128-E145 VanDerWaalsContact N-CD 3.28Å; G128-E145 PolarHBondContact N-OE1 3.35Å; G128-E145 PolarHBondContact N-OE2 3.02Å; G128-E145 VanDerWaalsContact N-OE2 3.08Å
129	L	97.8	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	30.1	172.9	-51.3	-173.8	0	0	0	110.7	V69 Y73 T77 R80 I84 D127 A141 E145	V69-L129 HydrophobicContact CG1-CD2 4Å; V69-L129 HydrophobicContact CG2-CD2 4.37Å; V69-L129 HydrophobicContact CG2-CG 4.32Å; Y73-L129 HydrophobicContact CD2-CD1 4.21Å; Y73-L129 HydrophobicContact CG-CD1 4.32Å; T77-L129 HydrophobicContact CG2-CD1 4.45Å; T77-L129 HydrophobicContact CG2-CD2 3.75Å; R80-L129 PolarHBondContact NH1-O 3.42Å; R80-L129 PolarHBondContact NH2-O 3.33Å; I84-L129 HydrophobicContact CD1-CD2 3.95Å; I84-L129 HydrophobicContact CG1-CD2 4.05Å; D127-L129 PolarHBondContact O-N 3.36Å; L129-A141 HydrophobicContact CB-CB 4.45Å; L129-A141 HydrophobicContact CD1-CB 4.16Å; L129-A141 WeakPolarHBondContact CD1-O 3.44Å; L129-E145 VanDerWaalsContact CA-OE2 3.31Å; L129-E145 WeakPolarHBondContact CA-OE2 3.22Å; L129-E145 HydrophobicContact CB-CB 4.13Å; L129-E145 WeakPolarHBondContact CB-OE2 2.86Å; L129-E145 HydrophobicContact CD1-CB 4.17Å; L129-E145 HydrophobicContact CG-CB 4.29Å; L129-E145 PolarHBondContact N-OE1 3.15Å; L129-E145 VanDerWaalsContact N-OE1 3.13Å; L129-E145 PolarHBondContact N-OE2 2.87Å
130	R	97.6	Very high	97.3	Very high	40 Å²	40	23.9 Å²	23.9	15%	0.151	12%	0.124	C	C	.	.			trans	-58.9	150.9	168.6	69.2	174.6	170.1	-89.3	7.6	112	R80 V85 S86 D127	R80-R130 PolarHBondContact NH1-O 3.2Å; V85-R130 HydrophobicContact CG2-CG 3.99Å; S86-R130 VanDerWaalsContact CB-NH1 3.31Å; S86-R130 PolarHBondContact OG-NH1 3.3Å; D127-R130 HydrophobicContact CB-CB 3.86Å; D127-R130 VanDerWaalsContact O-CB 3.27Å; D127-R130 WeakPolarHBondContact O-CB 3.41Å; D127-R130 VanDerWaalsContact O-CG 3.3Å; D127-R130 WeakPolarHBondContact O-CG 3.17Å; D127-R130 PolarHBondContact O-N 3.46Å; D127-R130 PolarHBondContact O-NH1 2.79Å; D127-R130 IonicContact OD1-CZ 2.7Å; D127-R130 IonicContact OD1-NH1 3.7Å; D127-R130 PolarHBondContact OD1-NH1 3.31Å; D127-R130 VanDerWaalsContact OD2-CB 3.26Å; D127-R130 WeakPolarHBondContact OD2-CB 3.36Å; D127-R130 WeakPolarHBondContact OD2-CD 3.34Å
131	P	96.6	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.			trans	-70.2	131.4	172.2	29.6	-35.8	0	0	0	110.8	D136 A137 P168 H170 V171	P131-D136 HydrophobicContact CB-CB 3.98Å; P131-A137 HydrophobicContact CB-CB 4.34Å; P131-A137 HydrophobicContact CG-CB 4.44Å; P131-P168 HydrophobicContact CG-CB 3.67Å; P131-H170 VanDerWaalsContact CG-O 3.25Å; P131-H170 WeakPolarHBondContact CG-O 3.48Å; P131-H170 PolarHBondContact O-N 3.48Å; P131-V171 HydrophobicContact CG-CG2 4.31Å
132	G	96.3	Very high	97.3	Very high	12 Å²	12	19.1 Å²	19.1	12%	0.124	10%	0.098	C	C	.	.	S	Bend	trans	-101.6	6.6	171.7	0	0	0	0	0	114.4	T82	T82-G132 VanDerWaalsContact OG1-CA 3.28Å; T82-G132 WeakPolarHBondContact OG1-CA 3.47Å; T82-G132 PolarHBondContact OG1-N 3.12Å
133	S	97	Very high	97.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	9%	0.092	C	C	.	.	S	Bend	trans	-152.3	159.4	171.4	63.7	0	0	0	0	109.7	T82 Q135 D136 H170 D201	T82-S133 PolarHBondContact OG1-N 2.92Å; S133-Q135 PolarHBondContact O-N 2.9Å; S133-D136 PolarHBondContact O-N 3.04Å; S133-D136 VanDerWaalsContact O-N 3.11Å; S133-D136 VanDerWaalsContact OG-CG 3.27Å; S133-D136 PolarHBondContact OG-N 3.22Å; S133-D136 PolarHBondContact OG-OD2 2.91Å; S133-H170 VanDerWaalsContact C-CB 3.46Å; S133-D201 VanDerWaalsContact CA-OD2 3.31Å; S133-D201 WeakPolarHBondContact CA-OD2 3.41Å; S133-D201 WeakPolarHBondContact CB-OD2 3.37Å
134	I	98.1	Very high	97.3	Very high	12 Å²	12	19.3 Å²	19.3	6%	0.062	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-54.4	-34.2	173.3	-64.3	-46.3	0	0	0	112	D136 A137 H170 P172 L198 T199 D201 L844	I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 2.88Å; I134-A137 VanDerWaalsContact O-CB 3.31Å; I134-A137 WeakPolarHBondContact O-CB 3.4Å; I134-A137 PolarHBondContact O-N 3.21Å; I134-H170 HydrophobicContact CD1-CB 4.27Å; I134-P172 HydrophobicContact CD1-CB 4.35Å; I134-P172 HydrophobicContact CG2-CB 3.8Å; I134-P172 HydrophobicContact CG2-CG 3.74Å; I134-L198 WeakPolarHBondContact CD1-O 3.4Å; I134-T199 VanDerWaalsContact CD1-C 3.49Å; I134-T199 VanDerWaalsContact CD1-O 3.28Å; I134-T199 WeakPolarHBondContact CD1-O 3.28Å; I134-D201 WeakPolarHBondContact CG1-OD1 3.06Å; I134-D201 PolarHBondContact N-OD1 2.99Å; I134-D201 PolarHBondContact N-OD2 3Å; I134-L844 HydrophobicContact CB-CD1 4.14Å; I134-L844 HydrophobicContact CG1-CD1 4.45Å; I134-L844 HydrophobicContact CG2-CD1 3.97Å
135	Q	95.9	Very high	97.3	Very high	86 Å²	86	19.4 Å²	19.4	40%	0.402	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-65.8	-35.6	-179.8	-180	121.8	52	0	0	112.8	L81 S133 A137 E847	L81-Q135 HydrophobicContact CB-CB 4.27Å; L81-Q135 HydrophobicContact CB-CG 4.19Å; L81-Q135 HydrophobicContact CD2-CB 3.97Å; L81-Q135 HydrophobicContact CD2-CG 4.43Å; S133-Q135 PolarHBondContact O-N 2.9Å; Q135-A137 VanDerWaalsContact C-N 3.27Å; Q135-A137 PolarHBondContact O-N 3.49Å; Q135-E847 PolarHBondContact NE2-OE1 3.13Å; Q135-E847 PolarHBondContact OE1-OE1 3.48Å
136	D	97.2	Very high	97.3	Very high	5 Å²	5	20 Å²	20	3%	0.027	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-85.3	-4.3	-176.1	-59.4	-35.7	0	0	0	112.4	R80 L81 T82 P131 S133 I134 D139	R80-D136 WeakPolarHBondContact CA-OD1 3.37Å; R80-D136 VanDerWaalsContact CB-OD1 3.26Å; R80-D136 WeakPolarHBondContact CB-OD1 3.44Å; R80-D136 HydrophobicContact CG-CB 4.1Å; R80-D136 WeakPolarHBondContact CG-OD1 3.3Å; L81-D136 PolarHBondContact N-OD1 2.93Å; T82-D136 WeakPolarHBondContact CB-OD2 3.32Å; T82-D136 PolarHBondContact N-OD2 3.22Å; T82-D136 PolarHBondContact OG1-OD2 2.95Å; P131-D136 HydrophobicContact CB-CB 3.98Å; S133-D136 PolarHBondContact O-N 3.04Å; S133-D136 VanDerWaalsContact O-N 3.11Å; S133-D136 VanDerWaalsContact OG-CG 3.27Å; S133-D136 PolarHBondContact OG-N 3.22Å; S133-D136 PolarHBondContact OG-OD2 2.91Å; I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 2.88Å; D136-D139 WeakPolarHBondContact O-CB 3.34Å
137	A	97.3	Very high	97.4	Very high	9 Å²	9	23.7 Å²	23.7	7%	0.074	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	135.1	-176.9	0	0	0	0	0	112.2	P131 I134 Q135 D139 H170 V171 M175	P131-A137 HydrophobicContact CB-CB 4.34Å; P131-A137 HydrophobicContact CG-CB 4.44Å; I134-A137 VanDerWaalsContact O-CB 3.31Å; I134-A137 WeakPolarHBondContact O-CB 3.4Å; I134-A137 PolarHBondContact O-N 3.21Å; Q135-A137 VanDerWaalsContact C-N 3.27Å; Q135-A137 PolarHBondContact O-N 3.49Å; A137-D139 PolarHBondContact O-N 2.9Å; A137-H170 WeakPolarHBondContact CB-O 3.22Å; A137-V171 HydrophobicContact CB-CG2 4.4Å; A137-M175 HydrophobicContact CB-SD 4.05Å
138	N	97.7	Very high	97.4	Very high	18 Å²	18	23.4 Å²	23.4	10%	0.096	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	26	176.4	-60.3	32.2	0	0	0	113.6	Q142 F143 M175 N179	N138-Q142 VanDerWaalsContact CA-OE1 3.29Å; N138-F143 HydrophobicContact CB-CE2 3.56Å; N138-F143 HydrophobicContact CB-CZ 3.59Å; N138-F143 WeakPolarHBondContact O-CE2 3.35Å; N138-M175 HydrophobicContact CB-SD 4.33Å; N138-M175 PolarHBondContact ND2-O 2.92Å; N138-N179 PolarHBondContact ND2-ND2 3Å; N138-N179 PolarHBondContact OD1-ND2 2.86Å
139	D	97	Very high	97.5	Very high	37 Å²	37	23.5 Å²	23.5	20%	0.198	12%	0.118	C	C	.	.			trans	-77.2	174.2	178.9	83.3	-16.8	0	0	0	112.7	R80 D136 A137 A141 Q142 F143	R80-D139 WeakPolarHBondContact CG-OD2 3.45Å; R80-D139 IonicContact CZ-OD1 3.84Å; R80-D139 IonicContact CZ-OD2 3.87Å; R80-D139 IonicContact NE-OD1 2.71Å; R80-D139 IonicContact NE-OD2 2.74Å; R80-D139 PolarHBondContact NE-OD2 3.36Å; R80-D139 IonicContact NH2-OD1 3.02Å; R80-D139 PolarHBondContact NH2-OD1 2.76Å; R80-D139 IonicContact NH2-OD2 2.65Å; R80-D139 PolarHBondContact NH2-OD2 3.06Å; D136-D139 WeakPolarHBondContact O-CB 3.34Å; A137-D139 PolarHBondContact O-N 2.9Å; D139-A141 VanDerWaalsContact C-N 3.3Å; D139-A141 PolarHBondContact O-N 2.84Å; D139-A141 PolarHBondContact OD1-N 3.33Å; D139-Q142 PolarHBondContact O-N 3.35Å; D139-Q142 VanDerWaalsContact OD1-CB 3.29Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.32Å; D139-Q142 PolarHBondContact OD1-N 2.84Å; D139-F143 PolarHBondContact O-N 3.29Å; D139-F143 VanDerWaalsContact O-N 3.14Å
140	E	96.7	Very high	97.4	Very high	132 Å²	132	23.5 Å²	23.5	62%	0.617	12%	0.119	S	C	*	.	H	α-helix	trans	-60.5	-40.1	-179.1	-172.5	-178.8	-176.9	0	0	111.9	M76 A144	M76-E140 HydrophobicContact CE-CG 4.35Å; M76-E140 HydrophobicContact SD-CG 3.94Å; E140-A144 WeakPolarHBondContact O-CB 3.27Å; E140-A144 PolarHBondContact O-N 3.05Å
141	A	97.1	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-43.2	-179.4	0	0	0	0	0	111.8	M76 T77 L129 D139 E145	M76-A141 HydrophobicContact CB-CB 3.81Å; T77-A141 HydrophobicContact CG2-CB 3.85Å; L129-A141 HydrophobicContact CB-CB 4.45Å; L129-A141 HydrophobicContact CD1-CB 4.16Å; L129-A141 WeakPolarHBondContact CD1-O 3.44Å; D139-A141 VanDerWaalsContact C-N 3.3Å; D139-A141 PolarHBondContact O-N 2.84Å; D139-A141 PolarHBondContact OD1-N 3.33Å; A141-E145 WeakPolarHBondContact O-CB 3.45Å; A141-E145 PolarHBondContact O-N 3.39Å; A141-E145 VanDerWaalsContact O-N 3.09Å
142	Q	98	Very high	97.6	Very high	11 Å²	11	26 Å²	26	5%	0.051	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-50.6	179.3	-175.7	-168.5	-12.3	0	0	111.2	N138 D139 E145 L146 N179	N138-Q142 VanDerWaalsContact CA-OE1 3.29Å; D139-Q142 PolarHBondContact O-N 3.35Å; D139-Q142 VanDerWaalsContact OD1-CB 3.29Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.32Å; D139-Q142 PolarHBondContact OD1-N 2.84Å; Q142-E145 WeakPolarHBondContact O-CB 3.47Å; Q142-E145 PolarHBondContact O-N 3.28Å; Q142-L146 PolarHBondContact O-N 3.35Å; Q142-N179 PolarHBondContact NE2-OD1 3.27Å
143	F	97.9	Very high	97.7	Very high	15 Å²	15	25.4 Å²	25.4	7%	0.066	13%	0.126	C	C	.	.	H	α-helix	trans	-74.6	-31.9	-177.2	-70.2	-36.1	0	0	0	113	N138 D139 E145 L146 H147 R178 E182	N138-F143 HydrophobicContact CB-CE2 3.56Å; N138-F143 HydrophobicContact CB-CZ 3.59Å; N138-F143 WeakPolarHBondContact O-CE2 3.35Å; D139-F143 PolarHBondContact O-N 3.29Å; D139-F143 VanDerWaalsContact O-N 3.14Å; F143-E145 VanDerWaalsContact C-N 3.28Å; F143-E145 PolarHBondContact O-N 2.86Å; F143-L146 HydrophobicContact CD1-CD2 3.88Å; F143-L146 HydrophobicContact CE1-CD2 4.24Å; F143-L146 PolarHBondContact O-N 2.61Å; F143-H147 WeakPolarHBondContact O-CB 3.27Å; F143-H147 PolarHBondContact O-CD2 3.01Å; F143-H147 VanDerWaalsContact O-CD2 3.22Å; F143-H147 PolarHBondContact O-N 3.1Å; F143-R178 HydrophobicContact CZ-CG 4.26Å; F143-E182 HydrophobicContact CD1-CB 4.35Å; F143-E182 HydrophobicContact CD1-CG 4.37Å; F143-E182 HydrophobicContact CE1-CB 3.97Å; F143-E182 HydrophobicContact CE1-CG 3.8Å; F143-E182 HydrophobicContact CE2-CG 4.39Å; F143-E182 HydrophobicContact CZ-CB 4.47Å; F143-E182 HydrophobicContact CZ-CG 3.8Å
144	A	97.5	Very high	97.7	Very high	16 Å²	16	31 Å²	31	13%	0.132	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-39.3	171.1	0	0	0	0	0	111.5	Y73 M76 E140 T148	Y73-A144 HydrophobicContact CD1-CB 3.86Å; Y73-A144 HydrophobicContact CD2-CB 4.29Å; Y73-A144 HydrophobicContact CE1-CB 3.68Å; Y73-A144 HydrophobicContact CE2-CB 4.12Å; Y73-A144 WeakPolarHBondContact CE2-O 2.92Å; Y73-A144 HydrophobicContact CG-CB 4.21Å; Y73-A144 PolarHBondContact OH-O 3.31Å; M76-A144 HydrophobicContact SD-CB 4.11Å; E140-A144 WeakPolarHBondContact O-CB 3.27Å; E140-A144 PolarHBondContact O-N 3.05Å; A144-T148 PolarHBondContact O-N 3.11Å; A144-T148 PolarHBondContact O-OG1 2.94Å
145	E	98.5	Very high	97.7	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.014	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-54.2	169.6	-178.4	174.8	-121.2	0	0	110.9	V69 D127 G128 L129 A141 Q142 F143 H147 T148 L149	V69-E145 VanDerWaalsContact CG2-OE1 3.27Å; V69-E145 WeakPolarHBondContact CG2-OE1 3Å; D127-E145 WeakPolarHBondContact CA-OE2 3.25Å; G128-E145 VanDerWaalsContact CA-OE1 3.24Å; G128-E145 WeakPolarHBondContact CA-OE1 3.38Å; G128-E145 VanDerWaalsContact N-CD 3.28Å; G128-E145 PolarHBondContact N-OE1 3.35Å; G128-E145 PolarHBondContact N-OE2 3.02Å; G128-E145 VanDerWaalsContact N-OE2 3.08Å; L129-E145 VanDerWaalsContact CA-OE2 3.31Å; L129-E145 WeakPolarHBondContact CA-OE2 3.22Å; L129-E145 HydrophobicContact CB-CB 4.13Å; L129-E145 WeakPolarHBondContact CB-OE2 2.86Å; L129-E145 HydrophobicContact CD1-CB 4.17Å; L129-E145 HydrophobicContact CG-CB 4.29Å; L129-E145 PolarHBondContact N-OE1 3.15Å; L129-E145 VanDerWaalsContact N-OE1 3.13Å; L129-E145 PolarHBondContact N-OE2 2.87Å; A141-E145 WeakPolarHBondContact O-CB 3.45Å; A141-E145 PolarHBondContact O-N 3.39Å; A141-E145 VanDerWaalsContact O-N 3.09Å; Q142-E145 WeakPolarHBondContact O-CB 3.47Å; Q142-E145 PolarHBondContact O-N 3.28Å; F143-E145 VanDerWaalsContact C-N 3.28Å; F143-E145 PolarHBondContact O-N 2.86Å; E145-H147 VanDerWaalsContact C-N 3.3Å; E145-H147 PolarHBondContact O-N 3.49Å; E145-T148 CarbonylContact O-C 3.57Å; E145-T148 VanDerWaalsContact O-CA 3.32Å; E145-T148 WeakPolarHBondContact O-CA 3.36Å; E145-T148 WeakPolarHBondContact O-CB 3.42Å; E145-T148 PolarHBondContact O-N 2.94Å; E145-L149 HydrophobicContact CG-CD1 4.43Å; E145-L149 HydrophobicContact CG-CD2 4.12Å; E145-L149 HydrophobicContact CG-CG 4.17Å; E145-L149 WeakPolarHBondContact O-CG 3.31Å; E145-L149 PolarHBondContact O-N 3.24Å
146	L	98.3	Very high	97.8	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.063	14%	0.135	C	C	.	.	H	α-helix	trans	-53.3	-44.3	-178.6	-177	65	0	0	0	112.9	Q142 F143 T148 L149 G150 I165 E182 E183	Q142-L146 PolarHBondContact O-N 3.35Å; F143-L146 HydrophobicContact CD1-CD2 3.88Å; F143-L146 HydrophobicContact CE1-CD2 4.24Å; F143-L146 PolarHBondContact O-N 2.61Å; L146-T148 VanDerWaalsContact C-N 3.28Å; L146-T148 PolarHBondContact O-N 3.36Å; L146-L149 WeakPolarHBondContact O-CA 3.46Å; L146-L149 WeakPolarHBondContact O-CB 3.32Å; L146-L149 PolarHBondContact O-N 3.18Å; L146-G150 PolarHBondContact O-N 2.85Å; L146-I165 HydrophobicContact CD1-CG2 3.76Å; L146-E182 HydrophobicContact CD2-CB 3.85Å; L146-E183 HydrophobicContact CD1-CB 4.47Å; L146-E183 HydrophobicContact CD1-CG 4.42Å
147	H	97.8	Very high	97.8	Very high	78 Å²	78	32.6 Å²	32.6	36%	0.361	15%	0.153	S	C	.	.	H	α-helix	trans	-63.7	-36.9	177.1	-64.2	-179.4	0	0	0	111.6	F143 E145 G150 E151 E182 H186	F143-H147 WeakPolarHBondContact O-CB 3.27Å; F143-H147 PolarHBondContact O-CD2 3.01Å; F143-H147 VanDerWaalsContact O-CD2 3.22Å; F143-H147 PolarHBondContact O-N 3.1Å; E145-H147 VanDerWaalsContact C-N 3.3Å; E145-H147 PolarHBondContact O-N 3.49Å; H147-G150 PolarHBondContact O-N 3.43Å; H147-E151 PolarHBondContact O-N 3.03Å; H147-E182 IonicContact NE2-OE2 2.73Å; H147-H186 AromaticContact CD2-CD2 3.4Å; H147-H186 PolarHBondContact CD2-CD2 3.15Å; H147-H186 AromaticContact CD2-CG 3.38Å; H147-H186 AromaticContact CD2-ND1 3.78Å; H147-H186 AromaticContact CD2-NE2 3.81Å; H147-H186 AromaticContact CE1-CE1 3.9Å; H147-H186 AromaticContact CE1-NE2 3.72Å; H147-H186 AromaticContact NE2-CD2 3.13Å; H147-H186 PolarHBondContact NE2-CD2 3.26Å; H147-H186 AromaticContact NE2-CE1 3.63Å; H147-H186 AromaticContact NE2-CG 3.59Å; H147-H186 AromaticContact NE2-ND1 3.87Å; H147-H186 AromaticContact NE2-NE2 3.16Å; H147-H186 PolarHBondContact NE2-NE2 2.9Å; H147-H186 VanDerWaalsContact NE2-NE2 3.16Å
148	T	98.3	Very high	97.8	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-38.6	172.3	-52.6	0	0	0	0	110.6	L70 Y73 Y106 A144 E145 L146 G150 E151 L152	L70-T148 HydrophobicContact CD1-CG2 3.87Å; L70-T148 HydrophobicContact CG-CG2 4.36Å; Y73-T148 VanDerWaalsContact CE2-OG1 3.24Å; Y73-T148 WeakPolarHBondContact CE2-OG1 3.44Å; Y73-T148 PolarHBondContact OH-OG1 3.31Å; Y106-T148 HydrophobicContact CD2-CG2 4.23Å; Y106-T148 HydrophobicContact CE2-CG2 3.89Å; A144-T148 PolarHBondContact O-N 3.11Å; A144-T148 PolarHBondContact O-OG1 2.94Å; E145-T148 CarbonylContact O-C 3.57Å; E145-T148 VanDerWaalsContact O-CA 3.32Å; E145-T148 WeakPolarHBondContact O-CA 3.36Å; E145-T148 WeakPolarHBondContact O-CB 3.42Å; E145-T148 PolarHBondContact O-N 2.94Å; L146-T148 VanDerWaalsContact C-N 3.28Å; L146-T148 PolarHBondContact O-N 3.36Å; T148-G150 VanDerWaalsContact C-N 3.27Å; T148-G150 PolarHBondContact O-N 2.94Å; T148-E151 WeakPolarHBondContact O-CB 3.29Å; T148-E151 PolarHBondContact O-N 2.94Å; T148-E151 VanDerWaalsContact O-N 3.13Å; T148-L152 HydrophobicContact CG2-CD1 4.3Å; T148-L152 HydrophobicContact CG2-CG 4.4Å; T148-L152 VanDerWaalsContact O-CG 3.29Å; T148-L152 WeakPolarHBondContact O-CG 3.35Å; T148-L152 PolarHBondContact O-N 3.42Å
149	L	98.3	Very high	97.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-38.4	174.9	-53.4	-170.8	0	0	0	110.9	L125 E145 L146 E151 L152 T153 I165	L125-L149 HydrophobicContact CB-CB 4.38Å; L125-L149 HydrophobicContact CB-CD1 4.27Å; L125-L149 HydrophobicContact CB-CD2 4.18Å; L125-L149 HydrophobicContact CB-CG 4.48Å; L125-L149 HydrophobicContact CD1-CB 4.37Å; L125-L149 WeakPolarHBondContact CD1-O 3.49Å; E145-L149 HydrophobicContact CG-CD1 4.43Å; E145-L149 HydrophobicContact CG-CD2 4.12Å; E145-L149 HydrophobicContact CG-CG 4.17Å; E145-L149 WeakPolarHBondContact O-CG 3.31Å; E145-L149 PolarHBondContact O-N 3.24Å; L146-L149 WeakPolarHBondContact O-CA 3.46Å; L146-L149 WeakPolarHBondContact O-CB 3.32Å; L146-L149 PolarHBondContact O-N 3.18Å; L149-E151 PolarHBondContact O-N 3.21Å; L149-L152 HydrophobicContact CD2-CD1 4.28Å; L149-L152 CarbonylContact O-C 3.45Å; L149-L152 PolarHBondContact O-N 3.19Å; L149-T153 PolarHBondContact O-N 3.47Å; L149-T153 PolarHBondContact O-OG1 3.33Å; L149-I165 HydrophobicContact CB-CD1 4.07Å; L149-I165 HydrophobicContact CD1-CG2 3.95Å
150	G	97.4	Very high	97.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-40.7	171.5	0	0	0	0	0	114.4	L146 H147 T148 T153 K154 H186	L146-G150 PolarHBondContact O-N 2.85Å; H147-G150 PolarHBondContact O-N 3.43Å; T148-G150 VanDerWaalsContact C-N 3.27Å; T148-G150 PolarHBondContact O-N 2.94Å; G150-T153 WeakPolarHBondContact O-CB 3.41Å; G150-T153 PolarHBondContact O-N 3.25Å; G150-K154 PolarHBondContact O-N 2.67Å; G150-H186 VanDerWaalsContact CA-O 3.25Å; G150-H186 WeakPolarHBondContact CA-O 3.39Å
151	E	97.9	Very high	97.9	Very high	91 Å²	91	39.5 Å²	39.5	43%	0.425	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-47.5	171.7	-179.8	-176.6	168.4	0	0	111.5	H147 T148 L149 T153 K154 I155	H147-E151 PolarHBondContact O-N 3.03Å; T148-E151 WeakPolarHBondContact O-CB 3.29Å; T148-E151 PolarHBondContact O-N 2.94Å; T148-E151 VanDerWaalsContact O-N 3.13Å; L149-E151 PolarHBondContact O-N 3.21Å; E151-T153 VanDerWaalsContact C-N 3.3Å; E151-T153 PolarHBondContact O-N 2.98Å; E151-K154 PolarHBondContact O-N 3.23Å; E151-I155 HydrophobicContact CG-CD1 4.38Å; E151-I155 PolarHBondContact O-N 3.3Å; E151-I155 VanDerWaalsContact O-N 3.15Å
152	L	98.4	Very high	97.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-34.6	179	-65.4	176.7	0	0	0	112.1	A67 Y106 F109 L125 T148 L149 K154 I155 A156	A67-L152 HydrophobicContact CB-CD1 3.64Å; Y106-L152 HydrophobicContact CD2-CD2 4.03Å; Y106-L152 HydrophobicContact CE2-CD2 4.19Å; F109-L152 HydrophobicContact CB-CD2 4.21Å; F109-L152 HydrophobicContact CD1-CB 4.47Å; F109-L152 HydrophobicContact CD1-CD2 3.64Å; F109-L152 HydrophobicContact CD2-CD1 4.4Å; F109-L152 HydrophobicContact CD2-CD2 3.89Å; F109-L152 HydrophobicContact CE1-CB 3.86Å; F109-L152 HydrophobicContact CE1-CD2 3.91Å; F109-L152 HydrophobicContact CE1-CG 4.44Å; F109-L152 VanDerWaalsContact CE1-O 3.3Å; F109-L152 WeakPolarHBondContact CE1-O 3.49Å; F109-L152 HydrophobicContact CE2-CB 4.18Å; F109-L152 HydrophobicContact CE2-CD1 4.19Å; F109-L152 HydrophobicContact CE2-CD2 4.15Å; F109-L152 HydrophobicContact CE2-CG 4.4Å; F109-L152 HydrophobicContact CG-CD2 3.63Å; F109-L152 HydrophobicContact CZ-CB 3.7Å; F109-L152 HydrophobicContact CZ-CD2 4.16Å; F109-L152 HydrophobicContact CZ-CG 4.34Å; L125-L152 HydrophobicContact CD1-CB 3.9Å; L125-L152 HydrophobicContact CD2-CB 4.46Å; T148-L152 HydrophobicContact CG2-CD1 4.3Å; T148-L152 HydrophobicContact CG2-CG 4.4Å; T148-L152 VanDerWaalsContact O-CG 3.29Å; T148-L152 WeakPolarHBondContact O-CG 3.35Å; T148-L152 PolarHBondContact O-N 3.42Å; L149-L152 HydrophobicContact CD2-CD1 4.28Å; L149-L152 CarbonylContact O-C 3.45Å; L149-L152 PolarHBondContact O-N 3.19Å; L152-K154 PolarHBondContact O-N 2.73Å; L152-I155 HydrophobicContact CD2-CD1 4.39Å; L152-I155 PolarHBondContact O-N 3.17Å; L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 2.63Å
153	T	98.4	Very high	97.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-47	172.5	-65.2	0	0	0	0	111.2	L149 G150 E151 I155 A156 W157 V163 I165 A190	L149-T153 PolarHBondContact O-N 3.47Å; L149-T153 PolarHBondContact O-OG1 3.33Å; G150-T153 WeakPolarHBondContact O-CB 3.41Å; G150-T153 PolarHBondContact O-N 3.25Å; E151-T153 VanDerWaalsContact C-N 3.3Å; E151-T153 PolarHBondContact O-N 2.98Å; T153-I155 VanDerWaalsContact C-N 3.32Å; T153-I155 PolarHBondContact O-N 3.32Å; T153-A156 PolarHBondContact O-N 2.92Å; T153-W157 HydrophobicContact CG2-CD2 3.83Å; T153-W157 VanDerWaalsContact CG2-CE2 3.45Å; T153-W157 HydrophobicContact CG2-CE3 4.11Å; T153-W157 HydrophobicContact CG2-CH2 3.77Å; T153-W157 HydrophobicContact CG2-CZ2 3.44Å; T153-W157 VanDerWaalsContact CG2-CZ2 3.44Å; T153-W157 HydrophobicContact CG2-CZ3 4.09Å; T153-W157 VanDerWaalsContact O-CG 3.31Å; T153-W157 PolarHBondContact O-N 2.71Å; T153-V163 HydrophobicContact CG2-CB 4.32Å; T153-V163 HydrophobicContact CG2-CG1 4.12Å; T153-I165 VanDerWaalsContact OG1-CD1 3.26Å; T153-I165 WeakPolarHBondContact OG1-CD1 3.37Å; T153-A190 HydrophobicContact CG2-CB 4.36Å
154	K	97.9	Very high	98	Very high	119 Å²	119	44.8 Å²	44.8	52%	0.517	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-43.1	176	-67.1	-170.1	-171.3	-177.1	0	111.8	G150 E151 L152 W157 E158 H188	G150-K154 PolarHBondContact O-N 2.67Å; E151-K154 PolarHBondContact O-N 3.23Å; L152-K154 PolarHBondContact O-N 2.73Å; K154-W157 PolarHBondContact O-N 3.15Å; K154-E158 PolarHBondContact O-N 3.27Å; K154-E158 VanDerWaalsContact O-N 3.16Å; K154-H188 VanDerWaalsContact CE-CE1 3.44Å; K154-H188 WeakPolarHBondContact CE-CE1 3.35Å; K154-H188 WeakPolarHBondContact CE-NE2 3.42Å
155	I	97.9	Very high	98	Very high	27 Å²	27	44 Å²	44	14%	0.138	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-45.5	178.4	-63.4	170.3	0	0	0	110.3	F109 R110 E151 L152 T153 W157 E158 Y159	F109-I155 HydrophobicContact CD1-CB 4.19Å; F109-I155 HydrophobicContact CD1-CG2 3.84Å; F109-I155 HydrophobicContact CE1-CB 4.16Å; F109-I155 HydrophobicContact CE1-CG2 4.16Å; R110-I155 HydrophobicContact CG-CG2 3.99Å; E151-I155 HydrophobicContact CG-CD1 4.38Å; E151-I155 PolarHBondContact O-N 3.3Å; E151-I155 VanDerWaalsContact O-N 3.15Å; L152-I155 HydrophobicContact CD2-CD1 4.39Å; L152-I155 PolarHBondContact O-N 3.17Å; T153-I155 VanDerWaalsContact C-N 3.32Å; T153-I155 PolarHBondContact O-N 3.32Å; I155-W157 VanDerWaalsContact C-N 3.32Å; I155-W157 PolarHBondContact O-N 2.88Å; I155-E158 VanDerWaalsContact O-CB 3.3Å; I155-E158 WeakPolarHBondContact O-CB 3.49Å; I155-E158 PolarHBondContact O-N 2.9Å; I155-E158 VanDerWaalsContact O-N 3.11Å; I155-Y159 HydrophobicContact CG2-CE2 4.43Å; I155-Y159 WeakPolarHBondContact O-CD2 3.33Å
156	A	98.2	Very high	98	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-38.8	178.3	0	0	0	0	0	112.5	F109 L123 L152 T153 E158 Y159 D160 V161 V163	F109-A156 HydrophobicContact CE1-CB 4.23Å; F109-A156 HydrophobicContact CZ-CB 4.41Å; L123-A156 HydrophobicContact CD1-CB 3.88Å; L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 2.63Å; T153-A156 PolarHBondContact O-N 2.92Å; A156-E158 VanDerWaalsContact C-N 3.26Å; A156-E158 PolarHBondContact O-N 3.2Å; A156-Y159 PolarHBondContact O-N 2.79Å; A156-D160 PolarHBondContact O-N 2.95Å; A156-V161 HydrophobicContact CB-CB 4.31Å; A156-V161 PolarHBondContact O-N 2.8Å; A156-V161 VanDerWaalsContact O-N 3.14Å; A156-V163 HydrophobicContact CB-CG2 3.44Å; A156-V163 VanDerWaalsContact CB-CG2 3.44Å
157	W	97.9	Very high	97.9	Very high	109 Å²	109	44.3 Å²	44.3	41%	0.413	21%	0.206	S	C	.	.	H	α-helix	trans	-66.7	-22.3	174.4	-68.5	-11.9	0	0	0	113.8	T153 K154 I155 Y159 D160 H188 A190	T153-W157 HydrophobicContact CG2-CD2 3.83Å; T153-W157 VanDerWaalsContact CG2-CE2 3.45Å; T153-W157 HydrophobicContact CG2-CE3 4.11Å; T153-W157 HydrophobicContact CG2-CH2 3.77Å; T153-W157 HydrophobicContact CG2-CZ2 3.44Å; T153-W157 VanDerWaalsContact CG2-CZ2 3.44Å; T153-W157 HydrophobicContact CG2-CZ3 4.09Å; T153-W157 VanDerWaalsContact O-CG 3.31Å; T153-W157 PolarHBondContact O-N 2.71Å; K154-W157 PolarHBondContact O-N 3.15Å; I155-W157 VanDerWaalsContact C-N 3.32Å; I155-W157 PolarHBondContact O-N 2.88Å; W157-Y159 PolarHBondContact O-N 3.47Å; W157-D160 PolarHBondContact O-N 2.84Å; W157-H188 HydrophobicContact CH2-CB 3.88Å; W157-H188 HydrophobicContact CZ3-CB 3.88Å; W157-A190 HydrophobicContact CZ2-CB 4.23Å
158	E	97.7	Very high	97.7	Very high	121 Å²	121	40.8 Å²	40.8	57%	0.565	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.2	169.7	-65.9	170.5	-173.9	0	0	112.7	R110 K154 I155 A156	R110-E158 IonicContact CZ-OE2 2.78Å; R110-E158 IonicContact NH1-OE2 2.88Å; R110-E158 PolarHBondContact NH1-OE2 2.84Å; R110-E158 IonicContact NH2-OE1 3Å; R110-E158 IonicContact NH2-OE2 3.94Å; R110-E158 PolarHBondContact NH2-OE2 2.91Å; K154-E158 PolarHBondContact O-N 3.27Å; K154-E158 VanDerWaalsContact O-N 3.16Å; I155-E158 VanDerWaalsContact O-CB 3.3Å; I155-E158 WeakPolarHBondContact O-CB 3.49Å; I155-E158 PolarHBondContact O-N 2.9Å; I155-E158 VanDerWaalsContact O-N 3.11Å; A156-E158 VanDerWaalsContact C-N 3.26Å; A156-E158 PolarHBondContact O-N 3.2Å
159	Y	97.5	Very high	97.3	Very high	64 Å²	64	40.6 Å²	40.6	25%	0.251	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	11.5	179.5	-66.2	-100.5	0	0	0	112.7	R110 C113 E114 I155 A156 W157 V161	R110-Y159 HydrophobicContact CB-CE2 4.45Å; R110-Y159 HydrophobicContact CG-CE2 4.15Å; R110-Y159 PolarHBondContact NH1-OH 3.06Å; C113-Y159 HydrophobicContact CB-CD1 4.24Å; C113-Y159 HydrophobicContact CB-CD2 3.78Å; C113-Y159 HydrophobicContact CB-CE2 4.33Å; C113-Y159 HydrophobicContact CB-CG 3.74Å; E114-Y159 HydrophobicContact CG-CD1 4.13Å; E114-Y159 HydrophobicContact CG-CE1 3.77Å; I155-Y159 HydrophobicContact CG2-CE2 4.43Å; I155-Y159 WeakPolarHBondContact O-CD2 3.33Å; A156-Y159 PolarHBondContact O-N 2.79Å; W157-Y159 PolarHBondContact O-N 3.47Å; Y159-V161 PolarHBondContact O-N 3.04Å
160	D	96.3	Very high	97.3	Very high	150 Å²	150	41.2 Å²	41.2	80%	0.802	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	28.9	-174.7	-64.1	-41.9	0	0	0	113.9	A156 W157	A156-D160 PolarHBondContact O-N 2.95Å; W157-D160 PolarHBondContact O-N 2.84Å
161	V	98.1	Very high	97.3	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.036	19%	0.191	C	C	.	.			trans	-84.8	129.9	176.4	178.4	0	0	0	0	109.7	C113 C116 A117 L123 A156 Y159	C113-V161 HydrophobicContact CB-CG2 4.27Å; C113-V161 WeakPolarHBondContact O-CG2 3.38Å; C116-V161 HydrophobicContact CB-CG1 3.88Å; C116-V161 HydrophobicContact CB-CG2 4.16Å; A117-V161 HydrophobicContact CB-CG2 3.94Å; L123-V161 HydrophobicContact CB-CG1 4.4Å; L123-V161 HydrophobicContact CD1-CG1 3.7Å; L123-V161 HydrophobicContact CG-CG1 3.72Å; A156-V161 HydrophobicContact CB-CB 4.31Å; A156-V161 PolarHBondContact O-N 2.8Å; A156-V161 VanDerWaalsContact O-N 3.14Å; Y159-V161 PolarHBondContact O-N 3.04Å
162	Q	98.3	Very high	97.3	Very high	102 Å²	102	36.9 Å²	36.9	48%	0.477	17%	0.172	S	C	.	.			trans	-66.5	135.4	176.2	-61.2	-177.3	87.2	0	0	110.3	D120 S122 L123	D120-Q162 PolarHBondContact OD1-NE2 3.17Å; S122-Q162 CarbonylContact C-O 3.47Å; S122-Q162 WeakPolarHBondContact CA-O 3.39Å; S122-Q162 WeakPolarHBondContact OG-CB 3.46Å; L123-Q162 PolarHBondContact N-O 3.42Å
163	V	98.4	Very high	97.3	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.2	-175.5	-178.3	0	0	0	0	110.8	L123 L125 T153 A156 I165 P191	L123-V163 HydrophobicContact CB-CG2 4.43Å; L123-V163 CarbonylContact O-C 3.58Å; L123-V163 WeakPolarHBondContact O-CA 3.45Å; L125-V163 HydrophobicContact CD1-CG1 3.7Å; L125-V163 HydrophobicContact CG-CG1 3.99Å; T153-V163 HydrophobicContact CG2-CB 4.32Å; T153-V163 HydrophobicContact CG2-CG1 4.12Å; A156-V163 HydrophobicContact CB-CG2 3.44Å; A156-V163 VanDerWaalsContact CB-CG2 3.44Å; V163-I165 HydrophobicContact CG1-CD1 4.12Å; V163-P191 WeakPolarHBondContact O-CD 3.4Å
164	M	98.5	Very high	97.2	Very high	24 Å²	24	42.3 Å²	42.3	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.4	159.5	61.9	-171.4	176	0	0	109.4	Y62 L123 S124 L125 P191 Y193 M225	Y62-M164 HydrophobicContact CD1-CE 4.16Å; Y62-M164 HydrophobicContact CD2-CE 3.31Å; Y62-M164 HydrophobicContact CE1-CE 4.46Å; Y62-M164 HydrophobicContact CE2-CE 3.66Å; Y62-M164 HydrophobicContact CG-CE 3.58Å; L123-M164 PolarHBondContact O-N 2.87Å; S124-M164 WeakPolarHBondContact CA-O 3.2Å; S124-M164 WeakPolarHBondContact OG-CE 3.39Å; L125-M164 PolarHBondContact N-O 2.76Å; M164-P191 CarbonylContact C-O 3.51Å; M164-P191 WeakPolarHBondContact CA-O 3.31Å; M164-P191 HydrophobicContact CB-CB 4.04Å; M164-P191 VanDerWaalsContact CB-O 3.23Å; M164-P191 WeakPolarHBondContact CB-O 3.5Å; M164-Y193 HydrophobicContact CE-CD1 4.14Å; M164-Y193 HydrophobicContact SD-CD1 4.33Å; M164-M225 HydrophobicContact CE-CE 3.73Å; M164-M225 HydrophobicContact SD-CE 3.5Å; M164-M225 WeakPolarHBondContact SD-CE 3.4Å
165	I	98.6	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.3	-179.8	-57.2	-56.4	0	0	0	108.6	L125 L146 L149 T153 V163 E183 C187 A190 P191 F192 Y193	L125-I165 HydrophobicContact CB-CD1 4.07Å; L125-I165 HydrophobicContact CD1-CD1 3.84Å; L125-I165 HydrophobicContact CG-CD1 4.43Å; L146-I165 HydrophobicContact CD1-CG2 3.76Å; L149-I165 HydrophobicContact CB-CD1 4.07Å; L149-I165 HydrophobicContact CD1-CG2 3.95Å; T153-I165 VanDerWaalsContact OG1-CD1 3.26Å; T153-I165 WeakPolarHBondContact OG1-CD1 3.37Å; V163-I165 HydrophobicContact CG1-CD1 4.12Å; I165-E183 HydrophobicContact CB-CG 4.44Å; I165-E183 HydrophobicContact CG2-CG 4.34Å; I165-C187 HydrophobicContact CD1-CB 4.22Å; I165-C187 HydrophobicContact CG1-CB 3.72Å; I165-A190 HydrophobicContact CG1-CB 4.05Å; I165-P191 PolarHBondContact N-O 2.7Å; I165-F192 HydrophobicContact CB-CD2 4.04Å; I165-F192 HydrophobicContact CB-CE2 4.45Å; I165-F192 HydrophobicContact CG2-CD2 4.06Å; I165-F192 HydrophobicContact CG2-CE2 3.95Å; I165-F192 VanDerWaalsContact O-CD2 3.29Å; I165-F192 WeakPolarHBondContact O-CD2 3.44Å; I165-Y193 PolarHBondContact O-N 2.86Å
166	E	98.3	Very high	97.2	Very high	19 Å²	19	38.4 Å²	38.4	9%	0.089	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.3	167.3	-62.8	-169.7	179.4	0	0	110	T64 S124 L125 D127 Y193	T64-E166 WeakPolarHBondContact CB-OE1 3.42Å; T64-E166 VanDerWaalsContact CG2-CD 3.48Å; T64-E166 WeakPolarHBondContact CG2-OE1 3.49Å; T64-E166 WeakPolarHBondContact CG2-OE2 3.25Å; T64-E166 PolarHBondContact OG1-OE1 3.24Å; S124-E166 WeakPolarHBondContact CB-OE1 3.48Å; S124-E166 VanDerWaalsContact OG-CD 3.29Å; S124-E166 WeakPolarHBondContact OG-CG 3.38Å; S124-E166 PolarHBondContact OG-OE1 2.94Å; L125-E166 VanDerWaalsContact O-CB 3.3Å; L125-E166 WeakPolarHBondContact O-CB 3.46Å; L125-E166 PolarHBondContact O-N 2.76Å; D127-E166 HydrophobicContact CB-CB 3.96Å; E166-Y193 CarbonylContact C-O 3.49Å; E166-Y193 VanDerWaalsContact CA-O 3.27Å; E166-Y193 WeakPolarHBondContact CA-O 3.45Å; E166-Y193 HydrophobicContact CG-CD1 3.89Å; E166-Y193 HydrophobicContact CG-CE1 4.49Å
167	G	95.7	Very high	97.1	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	167.1	-174.1	0	0	0	0	0	112	D127 Y193 L195	D127-G167 VanDerWaalsContact OD2-C 3.27Å; G167-Y193 PolarHBondContact N-O 3.42Å; G167-L195 PolarHBondContact O-N 3.22Å
168	P	93.4	Very high	97.1	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.019	21%	0.211	C	C	.	.			trans	-57.5	160.6	-161.2	28.2	-40.2	0	0	0	115.7	P131 V171 N179 L195	P131-P168 HydrophobicContact CG-CB 3.67Å; P168-V171 HydrophobicContact CB-CG2 3.48Å; P168-V171 VanDerWaalsContact CB-CG2 3.48Å; P168-V171 HydrophobicContact CG-CG2 3.5Å; P168-V171 VanDerWaalsContact CG-CG2 3.5Å; P168-N179 HydrophobicContact CG-CB 4.35Å; P168-N179 WeakPolarHBondContact CG-OD1 3.19Å; P168-L195 PolarHBondContact O-N 2.93Å
169	G	90	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-89.7	-58.1	173.8	0	0	0	0	0	113.4	L195 P197 L198	G169-L195 WeakPolarHBondContact CA-O 3.23Å; G169-P197 CarbonylContact O-C 3.57Å; G169-P197 WeakPolarHBondContact O-CA 3.39Å; G169-P197 VanDerWaalsContact O-CB 3.24Å; G169-P197 WeakPolarHBondContact O-CB 3.32Å; G169-L198 PolarHBondContact O-N 3.41Å
170	H	98.3	Very high	97.1	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.065	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-117.9	113.2	-172.3	-65.2	-123.2	0	0	0	110.6	P131 S133 I134 A137 L198 D201 H234	P131-H170 VanDerWaalsContact CG-O 3.25Å; P131-H170 WeakPolarHBondContact CG-O 3.48Å; P131-H170 PolarHBondContact O-N 3.48Å; S133-H170 VanDerWaalsContact C-CB 3.46Å; I134-H170 HydrophobicContact CD1-CB 4.27Å; A137-H170 WeakPolarHBondContact CB-O 3.22Å; H170-L198 CarbonylContact C-O 3.59Å; H170-L198 WeakPolarHBondContact CA-O 3.29Å; H170-D201 IonicContact CE1-OD1 2.73Å; H170-D201 IonicContact CG-OD1 3.56Å; H170-D201 IonicContact ND1-OD1 2.79Å; H170-D201 PolarHBondContact ND1-OD1 3.12Å; H170-H234 AromaticContact CE1-CE1 3.46Å; H170-H234 PolarHBondContact CE1-CE1 2.91Å; H170-H234 VanDerWaalsContact CE1-CE1 3.46Å; H170-H234 AromaticContact CE1-NE2 3.71Å; H170-H234 AromaticContact NE2-CE1 3.49Å; H170-H234 PolarHBondContact NE2-CE1 2.72Å; H170-H234 AromaticContact NE2-NE2 3.46Å; H170-H234 PolarHBondContact NE2-NE2 3.24Å
171	V	97.9	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.157	C	C	.	.			trans	-148.9	120.5	-174.4	-176.2	0	0	0	0	110.7	P131 A137 P168 M175 I176 N179 P197 L198 T199	P131-V171 HydrophobicContact CG-CG2 4.31Å; A137-V171 HydrophobicContact CB-CG2 4.4Å; P168-V171 HydrophobicContact CB-CG2 3.48Å; P168-V171 VanDerWaalsContact CB-CG2 3.48Å; P168-V171 HydrophobicContact CG-CG2 3.5Å; P168-V171 VanDerWaalsContact CG-CG2 3.5Å; V171-M175 HydrophobicContact CG1-CB 3.59Å; V171-I176 HydrophobicContact CB-CG1 4.26Å; V171-I176 HydrophobicContact CG1-CG1 3.79Å; V171-N179 WeakPolarHBondContact CG1-ND2 3.44Å; V171-P197 HydrophobicContact CB-CB 3.8Å; V171-P197 HydrophobicContact CB-CG 3.91Å; V171-P197 HydrophobicContact CG2-CB 3.85Å; V171-P197 HydrophobicContact CG2-CG 4.24Å; V171-L198 PolarHBondContact N-O 2.9Å; V171-T199 WeakPolarHBondContact O-CA 3.33Å
172	P	97.4	Very high	97.1	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.013	16%	0.162	C	C	.	.			trans	-73.4	150.5	179.2	35.9	-37.6	0	0	0	110.4	I134 Q174 M175 I176 D1031	I134-P172 HydrophobicContact CD1-CB 4.35Å; I134-P172 HydrophobicContact CG2-CB 3.8Å; I134-P172 HydrophobicContact CG2-CG 3.74Å; P172-Q174 VanDerWaalsContact C-N 3.32Å; P172-Q174 PolarHBondContact O-N 2.83Å; P172-Q174 PolarHBondContact O-OE1 3.05Å; P172-M175 HydrophobicContact CG-CB 4.2Å; P172-M175 HydrophobicContact CG-CG 3.99Å; P172-M175 HydrophobicContact CG-SD 3.76Å; P172-M175 WeakPolarHBondContact O-CB 3.39Å; P172-M175 PolarHBondContact O-N 3.38Å; P172-I176 PolarHBondContact O-N 3.02Å; P172-D1031 HydrophobicContact CB-CB 4.13Å
173	M	98	Very high	97.1	Very high	42 Å²	42	30.5 Å²	30.5	21%	0.207	14%	0.139	C	C	.	.	H	α-helix	trans	-45.1	-46	-167.5	-72.2	-160.7	-89.5	0	0	117	M175 I176 T199 M217 D1030 D1031	M173-M175 PolarHBondContact O-N 3.05Å; M173-I176 WeakPolarHBondContact O-CB 3.32Å; M173-I176 PolarHBondContact O-N 3.42Å; M173-T199 HydrophobicContact CG-CG2 4.5Å; M173-M217 HydrophobicContact CB-CE 3.82Å; M173-M217 HydrophobicContact CB-SD 3.95Å; M173-M217 HydrophobicContact CG-CE 4.04Å; M173-M217 HydrophobicContact CG-SD 3.49Å; M173-M217 WeakPolarHBondContact CG-SD 3.39Å; M173-M217 HydrophobicContact SD-CE 4.05Å; M173-M217 HydrophobicContact SD-SD 3.55Å; M173-D1030 HydrophobicContact CE-CB 3.5Å; M173-D1030 VanDerWaalsContact CE-CB 3.5Å; M173-D1030 VanDerWaalsContact CE-OD2 3.24Å; M173-D1030 WeakPolarHBondContact CE-OD2 3.48Å; M173-D1030 HydrophobicContact CG-CB 3.51Å; M173-D1030 HydrophobicContact SD-CB 3.53Å; M173-D1030 VanDerWaalsContact SD-CB 3.53Å; M173-D1031 HydrophobicContact CB-CB 4.08Å; M173-D1031 HydrophobicContact CE-CB 4.19Å; M173-D1031 VanDerWaalsContact CE-N 3.28Å; M173-D1031 HydrophobicContact CG-CB 4.33Å
174	Q	96.9	Very high	97	Very high	73 Å²	73	32.9 Å²	32.9	34%	0.341	15%	0.151	S	C	.	.	H	α-helix	trans	-61.8	-22.2	179.7	75.9	-76.9	23.1	0	0	114.3	P172 D1031 N1034	P172-Q174 VanDerWaalsContact C-N 3.32Å; P172-Q174 PolarHBondContact O-N 2.83Å; P172-Q174 PolarHBondContact O-OE1 3.05Å; Q174-D1031 PolarHBondContact NE2-OD2 3.05Å; Q174-D1031 PolarHBondContact OE1-OD2 3.38Å; Q174-N1034 WeakPolarHBondContact CB-ND2 3.49Å; Q174-N1034 WeakPolarHBondContact CG-ND2 3.3Å; Q174-N1034 PolarHBondContact NE2-ND2 3.42Å; Q174-N1034 PolarHBondContact OE1-ND2 3.07Å
175	M	97.5	Very high	97	Very high	64 Å²	64	38 Å²	38	32%	0.315	18%	0.175	S	C	.	.	H	α-helix	trans	-96.4	-15.5	-178.9	-68.4	-174.1	-180	0	0	112.2	A137 N138 V171 P172 M173 R177 R178 N179	A137-M175 HydrophobicContact CB-SD 4.05Å; N138-M175 HydrophobicContact CB-SD 4.33Å; N138-M175 PolarHBondContact ND2-O 2.92Å; V171-M175 HydrophobicContact CG1-CB 3.59Å; P172-M175 HydrophobicContact CG-CB 4.2Å; P172-M175 HydrophobicContact CG-CG 3.99Å; P172-M175 HydrophobicContact CG-SD 3.76Å; P172-M175 WeakPolarHBondContact O-CB 3.39Å; P172-M175 PolarHBondContact O-N 3.38Å; M173-M175 PolarHBondContact O-N 3.05Å; M175-R177 PolarHBondContact O-N 3.37Å; M175-R178 WeakPolarHBondContact O-CB 3.27Å; M175-R178 PolarHBondContact O-N 2.78Å; M175-R178 VanDerWaalsContact O-N 3.15Å; M175-N179 PolarHBondContact O-N 3.27Å; M175-N179 VanDerWaalsContact O-N 3.15Å; M175-N179 PolarHBondContact O-ND2 2.87Å
176	I	98.2	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-47.9	-179.1	-62	-177.2	0	0	0	111	V171 P172 M173 R178 N179 M180 P197 T199 M217 I218 F221	V171-I176 HydrophobicContact CB-CG1 4.26Å; V171-I176 HydrophobicContact CG1-CG1 3.79Å; P172-I176 PolarHBondContact O-N 3.02Å; M173-I176 WeakPolarHBondContact O-CB 3.32Å; M173-I176 PolarHBondContact O-N 3.42Å; I176-R178 PolarHBondContact O-N 2.82Å; I176-N179 PolarHBondContact O-N 3.33Å; I176-N179 VanDerWaalsContact O-N 3.13Å; I176-M180 PolarHBondContact O-N 3.06Å; I176-P197 HydrophobicContact CD1-CG 4.13Å; I176-P197 HydrophobicContact CG1-CG 4.17Å; I176-T199 HydrophobicContact CD1-CG2 4.06Å; I176-M217 HydrophobicContact CD1-CB 4.05Å; I176-M217 HydrophobicContact CD1-SD 3.98Å; I176-M217 HydrophobicContact CG2-CB 4.15Å; I176-I218 HydrophobicContact CG2-CB 3.56Å; I176-I218 HydrophobicContact CG2-CD1 4Å; I176-I218 HydrophobicContact CG2-CG1 3.82Å; I176-F221 HydrophobicContact CB-CE2 4.35Å; I176-F221 HydrophobicContact CG2-CD2 3.95Å; I176-F221 HydrophobicContact CG2-CE2 4.01Å
177	R	97.1	Very high	96.8	Very high	145 Å²	145	39.8 Å²	39.8	55%	0.547	18%	0.183	S	C	.	.	H	α-helix	trans	-57.6	-37.1	178	-179.4	177.9	-71.6	-100.9	-0.4	112	M175 M180 T181 F221	M175-R177 PolarHBondContact O-N 3.37Å; R177-M180 PolarHBondContact O-N 2.92Å; R177-T181 PolarHBondContact O-N 3.25Å; R177-T181 PolarHBondContact O-OG1 2.66Å; R177-F221 HydrophobicContact CB-CD2 4.02Å; R177-F221 HydrophobicContact CB-CE2 3.76Å; R177-F221 HydrophobicContact CB-CZ 4.29Å; R177-F221 VanDerWaalsContact NH2-CE1 3.29Å
178	R	97.1	Very high	96.9	Very high	129 Å²	129	42.8 Å²	42.8	49%	0.487	20%	0.196	S	C	.	.	H	α-helix	trans	-67.2	-42.2	178.5	-178.1	171.6	178.7	-166	-1.7	111.7	F143 M175 I176 M180 T181 E182	F143-R178 HydrophobicContact CZ-CG 4.26Å; M175-R178 WeakPolarHBondContact O-CB 3.27Å; M175-R178 PolarHBondContact O-N 2.78Å; M175-R178 VanDerWaalsContact O-N 3.15Å; I176-R178 PolarHBondContact O-N 2.82Å; R178-M180 VanDerWaalsContact C-N 3.31Å; R178-M180 PolarHBondContact O-N 3.29Å; R178-T181 PolarHBondContact O-N 3.15Å; R178-T181 VanDerWaalsContact O-N 3.13Å; R178-E182 HydrophobicContact CG-CG 3.89Å; R178-E182 IonicContact CZ-OE1 3.29Å; R178-E182 IonicContact NE-OE1 3.04Å; R178-E182 PolarHBondContact NE-OE1 2.86Å; R178-E182 IonicContact NH2-OE1 2.71Å; R178-E182 PolarHBondContact NH2-OE1 3.08Å; R178-E182 WeakPolarHBondContact O-CB 3.27Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 3Å
179	N	97.8	Very high	97	Very high	1 Å²	1	50 Å²	50	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-45.4	175.1	-75.8	-87.6	0	0	0	111.8	N138 Q142 P168 V171 M175 I176 T181 E182 E183 I218	N138-N179 PolarHBondContact ND2-ND2 3Å; N138-N179 PolarHBondContact OD1-ND2 2.86Å; Q142-N179 PolarHBondContact NE2-OD1 3.27Å; P168-N179 HydrophobicContact CG-CB 4.35Å; P168-N179 WeakPolarHBondContact CG-OD1 3.19Å; V171-N179 WeakPolarHBondContact CG1-ND2 3.44Å; M175-N179 PolarHBondContact O-N 3.27Å; M175-N179 VanDerWaalsContact O-N 3.15Å; M175-N179 PolarHBondContact O-ND2 2.87Å; I176-N179 PolarHBondContact O-N 3.33Å; I176-N179 VanDerWaalsContact O-N 3.13Å; N179-T181 VanDerWaalsContact C-N 3.34Å; N179-T181 PolarHBondContact O-N 3.1Å; N179-E182 PolarHBondContact O-N 3Å; N179-E183 WeakPolarHBondContact O-CB 3.08Å; N179-E183 PolarHBondContact O-N 3.01Å; N179-I218 HydrophobicContact CB-CD1 4.41Å
180	M	97.7	Very high	97.4	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.034	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-42	176.3	-167.9	76	-149.3	0	0	111.8	I176 R177 R178 E183 L184 F192 F221 C223	I176-M180 PolarHBondContact O-N 3.06Å; R177-M180 PolarHBondContact O-N 2.92Å; R178-M180 VanDerWaalsContact C-N 3.31Å; R178-M180 PolarHBondContact O-N 3.29Å; M180-E183 PolarHBondContact O-N 3.2Å; M180-L184 HydrophobicContact CE-CD1 3.96Å; M180-L184 HydrophobicContact CE-CD2 3.71Å; M180-L184 HydrophobicContact CE-CG 3.72Å; M180-L184 HydrophobicContact CG-CD1 4.02Å; M180-L184 HydrophobicContact CG-CG 4.4Å; M180-L184 WeakPolarHBondContact O-CB 3.46Å; M180-L184 VanDerWaalsContact O-CG 3.22Å; M180-L184 WeakPolarHBondContact O-CG 3.21Å; M180-L184 PolarHBondContact O-N 2.67Å; M180-F192 HydrophobicContact SD-CD1 3.99Å; M180-F221 HydrophobicContact CB-CB 3.98Å; M180-F221 HydrophobicContact CG-CB 3.8Å; M180-F221 WeakPolarHBondContact CG-O 3.33Å; M180-C223 HydrophobicContact SD-CB 4.34Å; M180-C223 PolarHBondContact SD-N 2.99Å; M180-C223 VanDerWaalsContact SD-N 3.4Å
181	T	96.7	Very high	97.4	Very high	73 Å²	73	52.8 Å²	52.8	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-66.8	-44	-179.1	-51.1	0	0	0	0	111.5	R177 R178 N179 E183 L184 E185	R177-T181 PolarHBondContact O-N 3.25Å; R177-T181 PolarHBondContact O-OG1 2.66Å; R178-T181 PolarHBondContact O-N 3.15Å; R178-T181 VanDerWaalsContact O-N 3.13Å; N179-T181 VanDerWaalsContact C-N 3.34Å; N179-T181 PolarHBondContact O-N 3.1Å; T181-E183 VanDerWaalsContact C-N 3.34Å; T181-L184 PolarHBondContact O-N 3.49Å; T181-E185 WeakPolarHBondContact O-CB 3.32Å; T181-E185 PolarHBondContact O-N 3.18Å
182	E	97.5	Very high	97.4	Very high	30 Å²	30	53 Å²	53	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-38.8	178.7	-62.4	-94.7	179.4	0	0	110.9	F143 L146 H147 R178 N179 H186	F143-E182 HydrophobicContact CD1-CB 4.35Å; F143-E182 HydrophobicContact CD1-CG 4.37Å; F143-E182 HydrophobicContact CE1-CB 3.97Å; F143-E182 HydrophobicContact CE1-CG 3.8Å; F143-E182 HydrophobicContact CE2-CG 4.39Å; F143-E182 HydrophobicContact CZ-CB 4.47Å; F143-E182 HydrophobicContact CZ-CG 3.8Å; L146-E182 HydrophobicContact CD2-CB 3.85Å; H147-E182 IonicContact NE2-OE2 2.73Å; R178-E182 HydrophobicContact CG-CG 3.89Å; R178-E182 IonicContact CZ-OE1 3.29Å; R178-E182 IonicContact NE-OE1 3.04Å; R178-E182 PolarHBondContact NE-OE1 2.86Å; R178-E182 IonicContact NH2-OE1 2.71Å; R178-E182 PolarHBondContact NH2-OE1 3.08Å; R178-E182 WeakPolarHBondContact O-CB 3.27Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 3Å; N179-E182 PolarHBondContact O-N 3Å; E182-H186 VanDerWaalsContact O-CB 3.27Å; E182-H186 WeakPolarHBondContact O-CB 3.32Å; E182-H186 PolarHBondContact O-CD2 2.9Å; E182-H186 PolarHBondContact O-N 2.95Å; E182-H186 IonicContact OE2-CD2 2.89Å; E182-H186 IonicContact OE2-NE2 3.69Å
183	E	98.2	Very high	97.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-51.1	175	-172.7	-79.7	148.4	0	0	111.5	L146 I165 N179 M180 T181 E185 H186 C187 F192	L146-E183 HydrophobicContact CD1-CB 4.47Å; L146-E183 HydrophobicContact CD1-CG 4.42Å; I165-E183 HydrophobicContact CB-CG 4.44Å; I165-E183 HydrophobicContact CG2-CG 4.34Å; N179-E183 WeakPolarHBondContact O-CB 3.08Å; N179-E183 PolarHBondContact O-N 3.01Å; M180-E183 PolarHBondContact O-N 3.2Å; T181-E183 VanDerWaalsContact C-N 3.34Å; E183-E185 VanDerWaalsContact C-N 3.26Å; E183-E185 PolarHBondContact O-N 3.45Å; E183-H186 PolarHBondContact O-N 3Å; E183-C187 HydrophobicContact CG-CB 4.16Å; E183-C187 WeakPolarHBondContact O-CA 3.47Å; E183-C187 WeakPolarHBondContact O-CB 3.42Å; E183-C187 PolarHBondContact O-N 3.19Å; E183-C187 WeakPolarHBondContact OE1-CB 3.44Å; E183-F192 HydrophobicContact CB-CD1 4.16Å; E183-F192 HydrophobicContact CB-CD2 4.4Å; E183-F192 HydrophobicContact CB-CE1 3.95Å; E183-F192 HydrophobicContact CB-CE2 4.21Å; E183-F192 HydrophobicContact CB-CG 4.38Å; E183-F192 HydrophobicContact CB-CZ 3.97Å; E183-F192 HydrophobicContact CG-CB 4.22Å; E183-F192 HydrophobicContact CG-CD1 4Å; E183-F192 HydrophobicContact CG-CD2 3.57Å; E183-F192 HydrophobicContact CG-CE1 4.14Å; E183-F192 HydrophobicContact CG-CE2 3.72Å; E183-F192 HydrophobicContact CG-CG 3.72Å; E183-F192 HydrophobicContact CG-CZ 4Å
184	L	96.8	Very high	97.5	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-56.3	-42.3	178.9	-71.7	170	0	0	0	111.6	M180 T181 H188 E189	M180-L184 HydrophobicContact CE-CD1 3.96Å; M180-L184 HydrophobicContact CE-CD2 3.71Å; M180-L184 HydrophobicContact CE-CG 3.72Å; M180-L184 HydrophobicContact CG-CD1 4.02Å; M180-L184 HydrophobicContact CG-CG 4.4Å; M180-L184 WeakPolarHBondContact O-CB 3.46Å; M180-L184 VanDerWaalsContact O-CG 3.22Å; M180-L184 WeakPolarHBondContact O-CG 3.21Å; M180-L184 PolarHBondContact O-N 2.67Å; T181-L184 PolarHBondContact O-N 3.49Å; L184-H188 PolarHBondContact O-N 2.94Å; L184-E189 HydrophobicContact CD2-CB 4.22Å; L184-E189 HydrophobicContact CD2-CG 4.05Å; L184-E189 PolarHBondContact O-N 2.87Å
185	E	96.7	Very high	97.5	Very high	132 Å²	132	50.2 Å²	50.2	62%	0.617	24%	0.237	S	C	*	.	H	α-helix	trans	-70.9	-50.8	-179.4	-176.5	171.4	177.6	0	0	112.6	T181 E183	T181-E185 WeakPolarHBondContact O-CB 3.32Å; T181-E185 PolarHBondContact O-N 3.18Å; E183-E185 VanDerWaalsContact C-N 3.26Å; E183-E185 PolarHBondContact O-N 3.45Å
186	H	96.8	Very high	97.3	Very high	56 Å²	56	47.1 Å²	47.1	26%	0.259	22%	0.222	S	C	.	.	H	α-helix	trans	-88.9	-23.5	-170.9	-67.1	-68.3	0	0	0	113.9	H147 G150 E182 E183 H188	H147-H186 AromaticContact CD2-CD2 3.4Å; H147-H186 PolarHBondContact CD2-CD2 3.15Å; H147-H186 AromaticContact CD2-CG 3.38Å; H147-H186 AromaticContact CD2-ND1 3.78Å; H147-H186 AromaticContact CD2-NE2 3.81Å; H147-H186 AromaticContact CE1-CE1 3.9Å; H147-H186 AromaticContact CE1-NE2 3.72Å; H147-H186 AromaticContact NE2-CD2 3.13Å; H147-H186 PolarHBondContact NE2-CD2 3.26Å; H147-H186 AromaticContact NE2-CE1 3.63Å; H147-H186 AromaticContact NE2-CG 3.59Å; H147-H186 AromaticContact NE2-ND1 3.87Å; H147-H186 AromaticContact NE2-NE2 3.16Å; H147-H186 PolarHBondContact NE2-NE2 2.9Å; H147-H186 VanDerWaalsContact NE2-NE2 3.16Å; G150-H186 VanDerWaalsContact CA-O 3.25Å; G150-H186 WeakPolarHBondContact CA-O 3.39Å; E182-H186 VanDerWaalsContact O-CB 3.27Å; E182-H186 WeakPolarHBondContact O-CB 3.32Å; E182-H186 PolarHBondContact O-CD2 2.9Å; E182-H186 PolarHBondContact O-N 2.95Å; E182-H186 IonicContact OE2-CD2 2.89Å; E182-H186 IonicContact OE2-NE2 3.69Å; E183-H186 PolarHBondContact O-N 3Å; H186-H188 PolarHBondContact O-CE1 3.03Å; H186-H188 PolarHBondContact O-NE2 3.39Å
187	C	97.8	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	8.3	-178.4	-57.1	0	0	0	0	113.7	I165 E183 E189 A190	I165-C187 HydrophobicContact CD1-CB 4.22Å; I165-C187 HydrophobicContact CG1-CB 3.72Å; E183-C187 HydrophobicContact CG-CB 4.16Å; E183-C187 WeakPolarHBondContact O-CA 3.47Å; E183-C187 WeakPolarHBondContact O-CB 3.42Å; E183-C187 PolarHBondContact O-N 3.19Å; E183-C187 WeakPolarHBondContact OE1-CB 3.44Å; C187-E189 PolarHBondContact O-N 3.31Å; C187-A190 WeakPolarHBondContact O-CB 3.47Å; C187-A190 PolarHBondContact O-N 3.08Å
188	H	97.1	Very high	97.3	Very high	65 Å²	65	40.3 Å²	40.3	30%	0.301	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	41.4	168.2	-41.6	-47.8	0	0	0	113.5	K154 W157 L184 H186 A190	K154-H188 VanDerWaalsContact CE-CE1 3.44Å; K154-H188 WeakPolarHBondContact CE-CE1 3.35Å; K154-H188 WeakPolarHBondContact CE-NE2 3.42Å; W157-H188 HydrophobicContact CH2-CB 3.88Å; W157-H188 HydrophobicContact CZ3-CB 3.88Å; L184-H188 PolarHBondContact O-N 2.94Å; H186-H188 PolarHBondContact O-CE1 3.03Å; H186-H188 PolarHBondContact O-NE2 3.39Å; H188-A190 PolarHBondContact O-N 2.96Å
189	E	96.1	Very high	97.4	Very high	155 Å²	155	34.2 Å²	34.2	72%	0.724	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	26.4	179.8	-47.2	-174.6	108.9	0	0	113.7	L184 C187	L184-E189 HydrophobicContact CD2-CB 4.22Å; L184-E189 HydrophobicContact CD2-CG 4.05Å; L184-E189 PolarHBondContact O-N 2.87Å; C187-E189 PolarHBondContact O-N 3.31Å
190	A	97.7	Very high	97.3	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-58.6	151.1	168.6	0	0	0	0	0	110.1	T153 W157 I165 C187 H188 F192	T153-A190 HydrophobicContact CG2-CB 4.36Å; W157-A190 HydrophobicContact CZ2-CB 4.23Å; I165-A190 HydrophobicContact CG1-CB 4.05Å; C187-A190 WeakPolarHBondContact O-CB 3.47Å; C187-A190 PolarHBondContact O-N 3.08Å; H188-A190 PolarHBondContact O-N 2.96Å; A190-F192 PolarHBondContact O-N 3.44Å; A190-F192 VanDerWaalsContact O-N 3.13Å
191	P	98.3	Very high	97.3	Very high	68 Å²	68	35.7 Å²	35.7	44%	0.442	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-56	122.6	175	-26.4	33.7	0	0	0	111.6	V163 M164 I165 A224	V163-P191 WeakPolarHBondContact O-CD 3.4Å; M164-P191 CarbonylContact C-O 3.51Å; M164-P191 WeakPolarHBondContact CA-O 3.31Å; M164-P191 HydrophobicContact CB-CB 4.04Å; M164-P191 VanDerWaalsContact CB-O 3.23Å; M164-P191 WeakPolarHBondContact CB-O 3.5Å; I165-P191 PolarHBondContact N-O 2.7Å; P191-A224 HydrophobicContact CB-CB 3.95Å
192	F	98.2	Very high	97.2	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.7	175.4	-158.4	-161.4	0	0	0	111	I165 M180 E183 A190 T194 I218 C223 A224 M225	I165-F192 HydrophobicContact CB-CD2 4.04Å; I165-F192 HydrophobicContact CB-CE2 4.45Å; I165-F192 HydrophobicContact CG2-CD2 4.06Å; I165-F192 HydrophobicContact CG2-CE2 3.95Å; I165-F192 VanDerWaalsContact O-CD2 3.29Å; I165-F192 WeakPolarHBondContact O-CD2 3.44Å; M180-F192 HydrophobicContact SD-CD1 3.99Å; E183-F192 HydrophobicContact CB-CD1 4.16Å; E183-F192 HydrophobicContact CB-CD2 4.4Å; E183-F192 HydrophobicContact CB-CE1 3.95Å; E183-F192 HydrophobicContact CB-CE2 4.21Å; E183-F192 HydrophobicContact CB-CG 4.38Å; E183-F192 HydrophobicContact CB-CZ 3.97Å; E183-F192 HydrophobicContact CG-CB 4.22Å; E183-F192 HydrophobicContact CG-CD1 4Å; E183-F192 HydrophobicContact CG-CD2 3.57Å; E183-F192 HydrophobicContact CG-CE1 4.14Å; E183-F192 HydrophobicContact CG-CE2 3.72Å; E183-F192 HydrophobicContact CG-CG 3.72Å; E183-F192 HydrophobicContact CG-CZ 4Å; A190-F192 PolarHBondContact O-N 3.44Å; A190-F192 VanDerWaalsContact O-N 3.13Å; F192-T194 HydrophobicContact CD1-CG2 3.84Å; F192-T194 HydrophobicContact CD2-CG2 4.38Å; F192-T194 HydrophobicContact CE1-CG2 3.81Å; F192-T194 HydrophobicContact CE2-CG2 4.37Å; F192-T194 HydrophobicContact CG-CG2 4.15Å; F192-T194 HydrophobicContact CZ-CG2 4.09Å; F192-I218 HydrophobicContact CD1-CD1 4.49Å; F192-I218 HydrophobicContact CE1-CD1 4.01Å; F192-C223 PolarHBondContact O-SG 2.9Å; F192-A224 PolarHBondContact O-N 3.44Å; F192-M225 PolarHBondContact O-N 2.94Å
193	Y	98.4	Very high	97.1	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	102.5	-177.3	175.3	-148.5	0	0	0	111.1	M1 Y62 M164 I165 E166 G167 M225 C227	M1-Y193 HydrophobicContact SD-CE1 4.23Å; M1-Y193 PolarHBondContact SD-OH 3.42Å; M1-Y193 VanDerWaalsContact SD-OH 3.38Å; Y62-Y193 HydrophobicContact CE2-CE1 4.44Å; M164-Y193 HydrophobicContact CE-CD1 4.14Å; M164-Y193 HydrophobicContact SD-CD1 4.33Å; I165-Y193 PolarHBondContact O-N 2.86Å; E166-Y193 CarbonylContact C-O 3.49Å; E166-Y193 VanDerWaalsContact CA-O 3.27Å; E166-Y193 WeakPolarHBondContact CA-O 3.45Å; E166-Y193 HydrophobicContact CG-CD1 3.89Å; E166-Y193 HydrophobicContact CG-CE1 4.49Å; G167-Y193 PolarHBondContact N-O 3.42Å; Y193-M225 WeakPolarHBondContact CA-O 3.4Å; Y193-M225 HydrophobicContact CD1-CE 3.68Å; Y193-M225 HydrophobicContact CD2-CB 3.74Å; Y193-M225 HydrophobicContact CD2-CE 3.54Å; Y193-M225 HydrophobicContact CD2-CG 3.68Å; Y193-M225 HydrophobicContact CD2-SD 4.42Å; Y193-M225 HydrophobicContact CE1-CE 3.86Å; Y193-M225 HydrophobicContact CE2-CB 4.42Å; Y193-M225 HydrophobicContact CE2-CE 3.66Å; Y193-M225 HydrophobicContact CE2-CG 3.85Å; Y193-M225 HydrophobicContact CE2-SD 4.37Å; Y193-M225 HydrophobicContact CG-CB 4.31Å; Y193-M225 HydrophobicContact CG-CE 3.54Å; Y193-M225 HydrophobicContact CG-CG 4.49Å; Y193-C227 HydrophobicContact CD2-CB 4.39Å; Y193-C227 HydrophobicContact CE2-CB 3.42Å; Y193-C227 VanDerWaalsContact CE2-CB 3.42Å; Y193-C227 WeakPolarHBondContact OH-CB 3.47Å; Y193-C227 PolarHBondContact OH-SG 3.28Å; Y193-C227 VanDerWaalsContact OH-SG 3.38Å
194	T	97.9	Very high	96.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.5	-169.3	59	0	0	0	0	112.9	F192 G196 I218 C223 M225 L226 C227	F192-T194 HydrophobicContact CD1-CG2 3.84Å; F192-T194 HydrophobicContact CD2-CG2 4.38Å; F192-T194 HydrophobicContact CE1-CG2 3.81Å; F192-T194 HydrophobicContact CE2-CG2 4.37Å; F192-T194 HydrophobicContact CG-CG2 4.15Å; F192-T194 HydrophobicContact CZ-CG2 4.09Å; T194-G196 PolarHBondContact O-N 2.96Å; T194-G196 PolarHBondContact OG1-O 3.28Å; T194-I218 HydrophobicContact CG2-CD1 3.65Å; T194-I218 HydrophobicContact CG2-CG1 4.32Å; T194-I218 HydrophobicContact CG2-CG2 4.3Å; T194-C223 WeakPolarHBondContact CG2-SG 3.43Å; T194-C223 PolarHBondContact OG1-SG 3.35Å; T194-M225 PolarHBondContact N-O 3.36Å; T194-M225 VanDerWaalsContact N-O 3.11Å; T194-L226 WeakPolarHBondContact OG1-CD2 3.45Å; T194-C227 WeakPolarHBondContact O-CB 3.26Å; T194-C227 PolarHBondContact O-N 2.95Å
195	L	97.2	Very high	96.7	Very high	39 Å²	39	34 Å²	34	20%	0.204	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	77.5	168.7	-176.8	61.4	0	0	0	110.6	G167 P168 G169 P197 C227 V229	G167-L195 PolarHBondContact O-N 3.22Å; P168-L195 PolarHBondContact O-N 2.93Å; G169-L195 WeakPolarHBondContact CA-O 3.23Å; L195-P197 WeakPolarHBondContact O-CA 3.45Å; L195-C227 HydrophobicContact CD1-CB 3.83Å; L195-V229 HydrophobicContact CD1-CG2 3.97Å; L195-V229 HydrophobicContact CG-CG2 4.46Å
196	G	94	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-113.1	-167.6	0	0	0	0	0	111.3	T194 A215 C227 Y250	T194-G196 PolarHBondContact O-N 2.96Å; T194-G196 PolarHBondContact OG1-O 3.28Å; G196-A215 VanDerWaalsContact O-CA 3.28Å; G196-A215 WeakPolarHBondContact O-CA 3.35Å; G196-A215 WeakPolarHBondContact O-CB 3.23Å; G196-C227 PolarHBondContact N-O 3.19Å; G196-Y250 WeakPolarHBondContact CA-OH 3.48Å
197	P	97.6	Very high	96.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.2	150.8	12.1	31	-36.9	0	0	0	114.6	G169 V171 I176 L195 T199 S211 G214 I218	G169-P197 CarbonylContact O-C 3.57Å; G169-P197 WeakPolarHBondContact O-CA 3.39Å; G169-P197 VanDerWaalsContact O-CB 3.24Å; G169-P197 WeakPolarHBondContact O-CB 3.32Å; V171-P197 HydrophobicContact CB-CB 3.8Å; V171-P197 HydrophobicContact CB-CG 3.91Å; V171-P197 HydrophobicContact CG2-CB 3.85Å; V171-P197 HydrophobicContact CG2-CG 4.24Å; I176-P197 HydrophobicContact CD1-CG 4.13Å; I176-P197 HydrophobicContact CG1-CG 4.17Å; L195-P197 WeakPolarHBondContact O-CA 3.45Å; P197-T199 PolarHBondContact O-N 3Å; P197-S211 WeakPolarHBondContact O-CA 3.45Å; P197-G214 VanDerWaalsContact O-CA 3.27Å; P197-G214 WeakPolarHBondContact O-CA 3.22Å; P197-I218 HydrophobicContact CG-CD1 4.41Å
198	L	98	Very high	96.7	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-61.3	118.7	163.9	-71.5	80.9	0	0	0	108.9	I134 G169 H170 V171 T200 D207 V229	I134-L198 WeakPolarHBondContact CD1-O 3.4Å; G169-L198 PolarHBondContact O-N 3.41Å; H170-L198 CarbonylContact C-O 3.59Å; H170-L198 WeakPolarHBondContact CA-O 3.29Å; V171-L198 PolarHBondContact N-O 2.9Å; L198-T200 VanDerWaalsContact C-N 3.26Å; L198-T200 PolarHBondContact O-N 3.37Å; L198-D207 HydrophobicContact CD2-CB 3.87Å; L198-D207 WeakPolarHBondContact CD2-OD1 3.36Å; L198-V229 HydrophobicContact CD1-CG2 4.13Å
199	T	98.1	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-81	-15.3	-178.4	68.6	0	0	0	0	112.9	I134 V171 M173 I176 P197 T210 I213 D1030	I134-T199 VanDerWaalsContact CD1-C 3.49Å; I134-T199 VanDerWaalsContact CD1-O 3.28Å; I134-T199 WeakPolarHBondContact CD1-O 3.28Å; V171-T199 WeakPolarHBondContact O-CA 3.33Å; M173-T199 HydrophobicContact CG-CG2 4.5Å; I176-T199 HydrophobicContact CD1-CG2 4.06Å; P197-T199 PolarHBondContact O-N 3Å; T199-T210 WeakPolarHBondContact CG2-O 3.49Å; T199-T210 PolarHBondContact N-O 3.17Å; T199-T210 PolarHBondContact OG1-O 2.88Å; T199-I213 HydrophobicContact CG2-CB 4.02Å; T199-I213 HydrophobicContact CG2-CG2 4.11Å; T199-D1030 CarbonylContact C-O 3.57Å; T199-D1030 VanDerWaalsContact C-O 3.27Å; T199-D1030 WeakPolarHBondContact CB-O 3.29Å; T199-D1030 HydrophobicContact CG2-CB 4.15Å; T199-D1030 WeakPolarHBondContact OG1-CA 3.44Å; T199-D1030 VanDerWaalsContact OG1-CB 3.28Å; T199-D1030 WeakPolarHBondContact OG1-CB 3.32Å; T199-D1030 PolarHBondContact OG1-O 3.39Å; T199-D1030 VanDerWaalsContact OG1-O 3.05Å
200	T	96.3	Very high	96.7	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.049	15%	0.147	C	C	.	.			trans	-153.3	135.4	-177	-170.1	0	0	0	0	109	L198 I202 T210	L198-T200 VanDerWaalsContact C-N 3.26Å; L198-T200 PolarHBondContact O-N 3.37Å; T200-I202 HydrophobicContact CG2-CD1 4.15Å; T200-I202 HydrophobicContact CG2-CG1 3.76Å; T200-I202 PolarHBondContact O-N 3.28Å; T200-I202 WeakPolarHBondContact OG1-CD1 3.06Å; T200-I202 WeakPolarHBondContact OG1-CG1 3.38Å; T200-I202 WeakPolarHBondContact OG1-CG2 3.02Å; T200-T210 HydrophobicContact CG2-CG2 3.55Å
201	D	96.9	Very high	96.8	Very high	32 Å²	32	27.2 Å²	27.2	17%	0.171	15%	0.145	C	C	.	.	S	Bend	trans	-76.1	9.7	-179.1	-58.3	-25.6	0	0	0	111.9	S133 I134 H170 A840	S133-D201 VanDerWaalsContact CA-OD2 3.31Å; S133-D201 WeakPolarHBondContact CA-OD2 3.41Å; S133-D201 WeakPolarHBondContact CB-OD2 3.37Å; I134-D201 WeakPolarHBondContact CG1-OD1 3.06Å; I134-D201 PolarHBondContact N-OD1 2.99Å; I134-D201 PolarHBondContact N-OD2 3Å; H170-D201 IonicContact CE1-OD1 2.73Å; H170-D201 IonicContact CG-OD1 3.56Å; H170-D201 IonicContact ND1-OD1 2.79Å; H170-D201 PolarHBondContact ND1-OD1 3.12Å; D201-A840 HydrophobicContact CB-CB 3.94Å; D201-A840 WeakPolarHBondContact O-CB 3.42Å
202	I	95.5	Very high	96.7	Very high	20 Å²	20	24.4 Å²	24.4	10%	0.103	13%	0.128	C	C	.	.			trans	-93.8	-8.2	-149.5	82.9	-178.5	0	0	0	119.9	T200 P204 K838 A840 L844 A1027 P1032	T200-I202 HydrophobicContact CG2-CD1 4.15Å; T200-I202 HydrophobicContact CG2-CG1 3.76Å; T200-I202 PolarHBondContact O-N 3.28Å; T200-I202 WeakPolarHBondContact OG1-CD1 3.06Å; T200-I202 WeakPolarHBondContact OG1-CG1 3.38Å; T200-I202 WeakPolarHBondContact OG1-CG2 3.02Å; I202-P204 VanDerWaalsContact C-CD 3.44Å; I202-K838 WeakPolarHBondContact CD1-O 3.19Å; I202-A840 HydrophobicContact CB-CB 3.27Å; I202-A840 HydrophobicContact CG2-CB 3.02Å; I202-L844 HydrophobicContact CG2-CD2 3.05Å; I202-L844 HydrophobicContact CG2-CG 4.32Å; I202-A1027 WeakPolarHBondContact CD1-O 3.28Å; I202-P1032 HydrophobicContact CD1-CG 4.41Å
203	A	94.8	Very high	96.7	Very high	24 Å²	24	26.6 Å²	26.6	20%	0.198	14%	0.14	C	C	.	.			trans	-136.8	58.8	-167.9	0	0	0	0	0	109.4	G205 Y206 D207 T210	A203-G205 PolarHBondContact O-N 2.85Å; A203-Y206 HydrophobicContact CB-CD2 4.44Å; A203-Y206 CarbonylContact O-C 3.56Å; A203-Y206 VanDerWaalsContact O-C 3.28Å; A203-Y206 WeakPolarHBondContact O-CA 3.39Å; A203-Y206 WeakPolarHBondContact O-CB 3.37Å; A203-Y206 PolarHBondContact O-N 2.87Å; A203-D207 PolarHBondContact O-N 3.49Å; A203-T210 HydrophobicContact CB-CG2 3.82Å
204	P	94.6	Very high	96.7	Very high	63 Å²	63	25.8 Å²	25.8	41%	0.409	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	132	167.2	27.8	-34.8	0	0	0	108.6	I202 L235	I202-P204 VanDerWaalsContact C-CD 3.44Å; P204-L235 HydrophobicContact CB-CD1 4.41Å; P204-L235 HydrophobicContact CB-CD2 4.07Å; P204-L235 HydrophobicContact CB-CG 4.17Å
205	G	93.4	Very high	96.7	Very high	21 Å²	21	25.8 Å²	25.8	22%	0.216	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	-19.4	-164.2	0	0	0	0	0	113.3	A203 P231 L235	A203-G205 PolarHBondContact O-N 2.85Å; G205-P231 CarbonylContact C-O 3.54Å; G205-P231 WeakPolarHBondContact CA-O 3.17Å; G205-P231 PolarHBondContact N-O 3.41Å; G205-L235 VanDerWaalsContact N-CD1 3.29Å
206	Y	97.1	Very high	96.8	Very high	143 Å²	143	25 Å²	25	56%	0.561	14%	0.135	S	C	*	.			trans	-135.4	19.3	-175.6	-60.7	-80.2	0	0	0	112.1	A203 H208 F209 T210	A203-Y206 HydrophobicContact CB-CD2 4.44Å; A203-Y206 CarbonylContact O-C 3.56Å; A203-Y206 VanDerWaalsContact O-C 3.28Å; A203-Y206 WeakPolarHBondContact O-CA 3.39Å; A203-Y206 WeakPolarHBondContact O-CB 3.37Å; A203-Y206 PolarHBondContact O-N 2.87Å; Y206-H208 WeakPolarHBondContact CA-ND1 3.29Å; Y206-H208 PolarHBondContact O-N 3.16Å; Y206-F209 AromaticContact CD1-CD2 3.82Å; Y206-F209 HydrophobicContact CD1-CD2 3.82Å; Y206-F209 AromaticContact CD1-CE2 3.93Å; Y206-F209 HydrophobicContact CD1-CE2 3.93Å; Y206-F209 HydrophobicContact CG-CD2 4.45Å; Y206-F209 WeakPolarHBondContact O-CA 3.22Å; Y206-F209 WeakPolarHBondContact O-CB 3.36Å; Y206-F209 PolarHBondContact O-N 3.38Å; Y206-T210 PolarHBondContact O-N 3.28Å
207	D	96.4	Very high	97	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-23.2	-176.9	-73.4	-32.2	0	0	0	113.2	L198 A203 F209 T210 S211 V229 E233 H234	L198-D207 HydrophobicContact CD2-CB 3.87Å; L198-D207 WeakPolarHBondContact CD2-OD1 3.36Å; A203-D207 PolarHBondContact O-N 3.49Å; D207-F209 VanDerWaalsContact C-N 3.29Å; D207-F209 PolarHBondContact O-N 2.96Å; D207-T210 VanDerWaalsContact CA-OG1 3.3Å; D207-T210 WeakPolarHBondContact CA-OG1 3.38Å; D207-T210 PolarHBondContact O-N 2.81Å; D207-T210 PolarHBondContact O-OG1 2.91Å; D207-T210 PolarHBondContact OD1-OG1 3.27Å; D207-S211 WeakPolarHBondContact O-CB 3.29Å; D207-S211 PolarHBondContact O-N 3.42Å; D207-S211 PolarHBondContact O-OG 2.93Å; D207-V229 HydrophobicContact CB-CG1 3.6Å; D207-E233 HydrophobicContact CB-CB 3.89Å; D207-H234 IonicContact OD2-CE1 3.05Å; D207-H234 IonicContact OD2-CG 3.58Å; D207-H234 IonicContact OD2-ND1 2.95Å; D207-H234 PolarHBondContact OD2-ND1 3.11Å
208	H	97.5	Very high	97	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-55.9	-41.1	165.1	61.4	-67.3	0	0	0	112.3	Y206 S211 G212 V229 P231 T249	Y206-H208 WeakPolarHBondContact CA-ND1 3.29Å; Y206-H208 PolarHBondContact O-N 3.16Å; H208-S211 PolarHBondContact O-OG 3.41Å; H208-G212 WeakPolarHBondContact O-CA 3.34Å; H208-G212 PolarHBondContact O-N 2.92Å; H208-V229 WeakPolarHBondContact CA-O 3.47Å; H208-V229 WeakPolarHBondContact CB-O 3.39Å; H208-P231 WeakPolarHBondContact ND1-CA 3.44Å; H208-T249 HydrophobicContact CB-CG2 4.34Å; H208-T249 PolarHBondContact CD2-OG1 2.85Å; H208-T249 WeakPolarHBondContact O-CG2 3.32Å
209	F	97.3	Very high	97	Very high	112 Å²	112	26.9 Å²	26.9	49%	0.491	15%	0.146	S	C	.	.	H	α-helix	trans	-73.7	-47	175.5	-69.2	-58.7	0	0	0	112.4	Y206 D207 S211 G212 I213	Y206-F209 AromaticContact CD1-CD2 3.82Å; Y206-F209 HydrophobicContact CD1-CD2 3.82Å; Y206-F209 AromaticContact CD1-CE2 3.93Å; Y206-F209 HydrophobicContact CD1-CE2 3.93Å; Y206-F209 HydrophobicContact CG-CD2 4.45Å; Y206-F209 WeakPolarHBondContact O-CA 3.22Å; Y206-F209 WeakPolarHBondContact O-CB 3.36Å; Y206-F209 PolarHBondContact O-N 3.38Å; D207-F209 VanDerWaalsContact C-N 3.29Å; D207-F209 PolarHBondContact O-N 2.96Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 3.4Å; F209-G212 PolarHBondContact O-N 3.24Å; F209-G212 VanDerWaalsContact O-N 3.11Å; F209-I213 WeakPolarHBondContact O-CD1 3.43Å; F209-I213 WeakPolarHBondContact O-CG1 3.29Å; F209-I213 PolarHBondContact O-N 3.25Å; F209-I213 VanDerWaalsContact O-N 3.14Å
210	T	96.5	Very high	97	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.043	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-43.2	-178.5	67	0	0	0	0	110.7	T199 T200 A203 Y206 D207	T199-T210 WeakPolarHBondContact CG2-O 3.49Å; T199-T210 PolarHBondContact N-O 3.17Å; T199-T210 PolarHBondContact OG1-O 2.88Å; T200-T210 HydrophobicContact CG2-CG2 3.55Å; A203-T210 HydrophobicContact CB-CG2 3.82Å; Y206-T210 PolarHBondContact O-N 3.28Å; D207-T210 VanDerWaalsContact CA-OG1 3.3Å; D207-T210 WeakPolarHBondContact CA-OG1 3.38Å; D207-T210 PolarHBondContact O-N 2.81Å; D207-T210 PolarHBondContact O-OG1 2.91Å; D207-T210 PolarHBondContact OD1-OG1 3.27Å
211	S	98	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-74.7	-30.6	174.2	68.2	0	0	0	0	113.2	P197 D207 H208 F209 I213 G214 A215 V229 Y250	P197-S211 WeakPolarHBondContact O-CA 3.45Å; D207-S211 WeakPolarHBondContact O-CB 3.29Å; D207-S211 PolarHBondContact O-N 3.42Å; D207-S211 PolarHBondContact O-OG 2.93Å; H208-S211 PolarHBondContact O-OG 3.41Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 3.4Å; S211-I213 PolarHBondContact O-N 3.01Å; S211-G214 PolarHBondContact O-N 3.29Å; S211-A215 WeakPolarHBondContact O-CB 3.5Å; S211-A215 PolarHBondContact O-N 2.96Å; S211-V229 VanDerWaalsContact OG-CB 3.29Å; S211-V229 WeakPolarHBondContact OG-CB 3.49Å; S211-Y250 WeakPolarHBondContact CB-OH 3.34Å; S211-Y250 WeakPolarHBondContact OG-CE2 3.39Å; S211-Y250 PolarHBondContact OG-OH 2.93Å
212	G	97.9	Very high	97.1	Very high	9 Å²	9	34.3 Å²	34.3	9%	0.093	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-35.8	176.3	0	0	0	0	0	112.6	H208 F209 A216 A253	H208-G212 WeakPolarHBondContact O-CA 3.34Å; H208-G212 PolarHBondContact O-N 2.92Å; F209-G212 PolarHBondContact O-N 3.24Å; F209-G212 VanDerWaalsContact O-N 3.11Å; G212-A216 WeakPolarHBondContact O-CB 2.96Å; G212-A216 PolarHBondContact O-N 3.32Å; G212-A253 WeakPolarHBondContact O-CB 3.48Å
213	I	98.1	Very high	97.2	Very high	51 Å²	51	33.7 Å²	33.7	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-67.1	-50.5	175	-57.9	145.3	0	0	0	110.6	T199 F209 S211 A215 A216 M217 D1030	T199-I213 HydrophobicContact CG2-CB 4.02Å; T199-I213 HydrophobicContact CG2-CG2 4.11Å; F209-I213 WeakPolarHBondContact O-CD1 3.43Å; F209-I213 WeakPolarHBondContact O-CG1 3.29Å; F209-I213 PolarHBondContact O-N 3.25Å; F209-I213 VanDerWaalsContact O-N 3.14Å; S211-I213 PolarHBondContact O-N 3.01Å; I213-A215 VanDerWaalsContact C-N 3.32Å; I213-A215 PolarHBondContact O-N 3.42Å; I213-A216 PolarHBondContact O-N 2.95Å; I213-M217 HydrophobicContact CG2-SD 4.35Å; I213-M217 WeakPolarHBondContact O-CG 3.47Å; I213-M217 PolarHBondContact O-N 2.95Å; I213-D1030 HydrophobicContact CB-CB 4.13Å; I213-D1030 HydrophobicContact CD1-CB 3.98Å; I213-D1030 WeakPolarHBondContact CD1-OD1 3.49Å; I213-D1030 HydrophobicContact CG1-CB 4.48Å; I213-D1030 HydrophobicContact CG2-CB 3.44Å; I213-D1030 VanDerWaalsContact CG2-CB 3.44Å; I213-D1030 VanDerWaalsContact CG2-OD2 3.23Å; I213-D1030 WeakPolarHBondContact CG2-OD2 3.23Å
214	G	97.6	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-35.9	-178	0	0	0	0	0	112.1	P197 S211 A216 M217 I218	P197-G214 VanDerWaalsContact O-CA 3.27Å; P197-G214 WeakPolarHBondContact O-CA 3.22Å; S211-G214 PolarHBondContact O-N 3.29Å; G214-A216 PolarHBondContact O-N 3.39Å; G214-M217 PolarHBondContact O-N 3.1Å; G214-I218 WeakPolarHBondContact O-CB 3.28Å; G214-I218 WeakPolarHBondContact O-CG2 3.45Å; G214-I218 PolarHBondContact O-N 3.01Å
215	A	98.5	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-41.9	172.9	0	0	0	0	0	111.8	G196 S211 I213 G219 L226 Y250 A253	G196-A215 VanDerWaalsContact O-CA 3.28Å; G196-A215 WeakPolarHBondContact O-CA 3.35Å; G196-A215 WeakPolarHBondContact O-CB 3.23Å; S211-A215 WeakPolarHBondContact O-CB 3.5Å; S211-A215 PolarHBondContact O-N 2.96Å; I213-A215 VanDerWaalsContact C-N 3.32Å; I213-A215 PolarHBondContact O-N 3.42Å; A215-G219 WeakPolarHBondContact O-CA 3.14Å; A215-G219 PolarHBondContact O-N 3.44Å; A215-L226 HydrophobicContact CB-CD1 4.1Å; A215-L226 HydrophobicContact CB-CD2 4.12Å; A215-L226 HydrophobicContact CB-CG 4.49Å; A215-Y250 HydrophobicContact CB-CD1 4.29Å; A215-Y250 HydrophobicContact CB-CE1 3.77Å; A215-A253 HydrophobicContact CB-CB 4.07Å
216	A	98.5	Very high	97.7	Very high	23 Å²	23	37 Å²	37	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-41.4	175.1	0	0	0	0	0	111.9	G212 I213 G214 W220 A253 A256	G212-A216 WeakPolarHBondContact O-CB 2.96Å; G212-A216 PolarHBondContact O-N 3.32Å; I213-A216 PolarHBondContact O-N 2.95Å; G214-A216 PolarHBondContact O-N 3.39Å; A216-W220 VanDerWaalsContact O-CB 3.3Å; A216-W220 WeakPolarHBondContact O-CB 3.43Å; A216-W220 PolarHBondContact O-N 2.9Å; A216-A253 HydrophobicContact CB-CB 4.08Å; A216-A256 HydrophobicContact CB-CB 4.41Å
217	M	98.3	Very high	97.8	Very high	39 Å²	39	31.5 Å²	31.5	19%	0.192	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-48.3	179.2	-69.6	-177.9	72	0	0	112.8	M173 I176 I213 G214 G219 W220 F221	M173-M217 HydrophobicContact CB-CE 3.82Å; M173-M217 HydrophobicContact CB-SD 3.95Å; M173-M217 HydrophobicContact CG-CE 4.04Å; M173-M217 HydrophobicContact CG-SD 3.49Å; M173-M217 WeakPolarHBondContact CG-SD 3.39Å; M173-M217 HydrophobicContact SD-CE 4.05Å; M173-M217 HydrophobicContact SD-SD 3.55Å; I176-M217 HydrophobicContact CD1-CB 4.05Å; I176-M217 HydrophobicContact CD1-SD 3.98Å; I176-M217 HydrophobicContact CG2-CB 4.15Å; I213-M217 HydrophobicContact CG2-SD 4.35Å; I213-M217 WeakPolarHBondContact O-CG 3.47Å; I213-M217 PolarHBondContact O-N 2.95Å; G214-M217 PolarHBondContact O-N 3.1Å; M217-G219 VanDerWaalsContact C-N 3.34Å; M217-W220 WeakPolarHBondContact O-CB 3.34Å; M217-W220 PolarHBondContact O-N 2.95Å; M217-F221 HydrophobicContact CB-CE2 4.28Å; M217-F221 HydrophobicContact CE-CE2 4.31Å; M217-F221 HydrophobicContact CE-CZ 4.26Å; M217-F221 WeakPolarHBondContact O-CD2 3.3Å; M217-F221 WeakPolarHBondContact O-CG 3.35Å; M217-F221 PolarHBondContact O-N 3.25Å
218	I	98.3	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.4	-35.1	-179.4	-152.7	158.4	0	0	0	110.8	I176 N179 F192 T194 P197 G214 F221 G222 C223 L226	I176-I218 HydrophobicContact CG2-CB 3.56Å; I176-I218 HydrophobicContact CG2-CD1 4Å; I176-I218 HydrophobicContact CG2-CG1 3.82Å; N179-I218 HydrophobicContact CB-CD1 4.41Å; F192-I218 HydrophobicContact CD1-CD1 4.49Å; F192-I218 HydrophobicContact CE1-CD1 4.01Å; T194-I218 HydrophobicContact CG2-CD1 3.65Å; T194-I218 HydrophobicContact CG2-CG1 4.32Å; T194-I218 HydrophobicContact CG2-CG2 4.3Å; P197-I218 HydrophobicContact CG-CD1 4.41Å; G214-I218 WeakPolarHBondContact O-CB 3.28Å; G214-I218 WeakPolarHBondContact O-CG2 3.45Å; G214-I218 PolarHBondContact O-N 3.01Å; I218-F221 PolarHBondContact O-N 3.4Å; I218-G222 PolarHBondContact O-N 3.35Å; I218-C223 HydrophobicContact CB-CB 4.33Å; I218-C223 HydrophobicContact CG1-CB 4.08Å; I218-C223 HydrophobicContact CG2-CB 3.86Å; I218-C223 VanDerWaalsContact O-CB 3.23Å; I218-C223 WeakPolarHBondContact O-CB 3.47Å; I218-C223 PolarHBondContact O-N 3.33Å; I218-L226 HydrophobicContact CG2-CD2 3.86Å
219	G	98.3	Very high	97.8	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-42.9	169.5	0	0	0	0	0	112.1	A215 M217 F221 G222	A215-G219 WeakPolarHBondContact O-CA 3.14Å; A215-G219 PolarHBondContact O-N 3.44Å; M217-G219 VanDerWaalsContact C-N 3.34Å; G219-F221 VanDerWaalsContact C-N 3.33Å; G219-F221 PolarHBondContact O-N 2.92Å; G219-G222 PolarHBondContact O-N 3.41Å
220	W	98.3	Very high	97.8	Very high	120 Å²	120	30 Å²	30	46%	0.455	17%	0.168	S	C	.	.	H	α-helix	trans	-61.9	-41.2	174.3	171.9	30.7	0	0	0	111.7	A216 M217 G222 A257 A260	A216-W220 VanDerWaalsContact O-CB 3.3Å; A216-W220 WeakPolarHBondContact O-CB 3.43Å; A216-W220 PolarHBondContact O-N 2.9Å; M217-W220 WeakPolarHBondContact O-CB 3.34Å; M217-W220 PolarHBondContact O-N 2.95Å; W220-G222 VanDerWaalsContact C-N 3.25Å; W220-G222 PolarHBondContact O-N 3.49Å; W220-A257 HydrophobicContact CB-CB 4.44Å; W220-A260 HydrophobicContact CB-CB 4.1Å; W220-A260 VanDerWaalsContact CD1-CB 3.45Å; W220-A260 HydrophobicContact CD2-CB 3.85Å; W220-A260 HydrophobicContact CG-CB 3.54Å; W220-A260 PolarHBondContact NE1-O 3.44Å
221	F	97.5	Very high	97.8	Very high	40 Å²	40	30.5 Å²	30.5	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-73.2	-14.7	179.6	-58.5	-30.1	0	0	0	114.2	I176 R177 M180 M217 I218 G219	I176-F221 HydrophobicContact CB-CE2 4.35Å; I176-F221 HydrophobicContact CG2-CD2 3.95Å; I176-F221 HydrophobicContact CG2-CE2 4.01Å; R177-F221 HydrophobicContact CB-CD2 4.02Å; R177-F221 HydrophobicContact CB-CE2 3.76Å; R177-F221 HydrophobicContact CB-CZ 4.29Å; R177-F221 VanDerWaalsContact NH2-CE1 3.29Å; M180-F221 HydrophobicContact CB-CB 3.98Å; M180-F221 HydrophobicContact CG-CB 3.8Å; M180-F221 WeakPolarHBondContact CG-O 3.33Å; M217-F221 HydrophobicContact CB-CE2 4.28Å; M217-F221 HydrophobicContact CE-CE2 4.31Å; M217-F221 HydrophobicContact CE-CZ 4.26Å; M217-F221 WeakPolarHBondContact O-CD2 3.3Å; M217-F221 WeakPolarHBondContact O-CG 3.35Å; M217-F221 PolarHBondContact O-N 3.25Å; I218-F221 PolarHBondContact O-N 3.4Å; G219-F221 VanDerWaalsContact C-N 3.33Å; G219-F221 PolarHBondContact O-N 2.92Å
222	G	96	Very high	97.7	Very high	35 Å²	35	33.5 Å²	33.5	36%	0.361	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	138.1	-0.6	169	0	0	0	0	0	115.8	I218 G219 W220 A224	I218-G222 PolarHBondContact O-N 3.35Å; G219-G222 PolarHBondContact O-N 3.41Å; W220-G222 VanDerWaalsContact C-N 3.25Å; W220-G222 PolarHBondContact O-N 3.49Å; G222-A224 PolarHBondContact O-N 2.77Å
223	C	97.7	Very high	97.5	Very high	7 Å²	7	36.2 Å²	36.2	5%	0.047	20%	0.195	C	C	.	.			trans	-58.6	134.4	179.3	-171.1	0	0	0	0	111.4	M180 F192 T194 I218 M225 L226	M180-C223 HydrophobicContact SD-CB 4.34Å; M180-C223 PolarHBondContact SD-N 2.99Å; M180-C223 VanDerWaalsContact SD-N 3.4Å; F192-C223 PolarHBondContact O-SG 2.9Å; T194-C223 WeakPolarHBondContact CG2-SG 3.43Å; T194-C223 PolarHBondContact OG1-SG 3.35Å; I218-C223 HydrophobicContact CB-CB 4.33Å; I218-C223 HydrophobicContact CG1-CB 4.08Å; I218-C223 HydrophobicContact CG2-CB 3.86Å; I218-C223 VanDerWaalsContact O-CB 3.23Å; I218-C223 WeakPolarHBondContact O-CB 3.47Å; I218-C223 PolarHBondContact O-N 3.33Å; C223-M225 PolarHBondContact SG-O 3.37Å; C223-L226 HydrophobicContact CB-CD2 4.36Å
224	A	97.8	Very high	97.3	Very high	72 Å²	72	38.9 Å²	38.9	60%	0.595	21%	0.206	S	C	*	.			trans	-88.4	-39.3	-170.2	0	0	0	0	0	112.5	P191 F192 G222	P191-A224 HydrophobicContact CB-CB 3.95Å; F192-A224 PolarHBondContact O-N 3.44Å; G222-A224 PolarHBondContact O-N 2.77Å
225	M	98.3	Very high	97.1	Very high	70 Å²	70	44.2 Å²	44.2	35%	0.345	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.4	-178.5	-169.4	161.8	65.4	0	0	111.1	M164 F192 Y193 T194 C223	M164-M225 HydrophobicContact CE-CE 3.73Å; M164-M225 HydrophobicContact SD-CE 3.5Å; M164-M225 WeakPolarHBondContact SD-CE 3.4Å; F192-M225 PolarHBondContact O-N 2.94Å; Y193-M225 WeakPolarHBondContact CA-O 3.4Å; Y193-M225 HydrophobicContact CD1-CE 3.68Å; Y193-M225 HydrophobicContact CD2-CB 3.74Å; Y193-M225 HydrophobicContact CD2-CE 3.54Å; Y193-M225 HydrophobicContact CD2-CG 3.68Å; Y193-M225 HydrophobicContact CD2-SD 4.42Å; Y193-M225 HydrophobicContact CE1-CE 3.86Å; Y193-M225 HydrophobicContact CE2-CB 4.42Å; Y193-M225 HydrophobicContact CE2-CE 3.66Å; Y193-M225 HydrophobicContact CE2-CG 3.85Å; Y193-M225 HydrophobicContact CE2-SD 4.37Å; Y193-M225 HydrophobicContact CG-CB 4.31Å; Y193-M225 HydrophobicContact CG-CE 3.54Å; Y193-M225 HydrophobicContact CG-CG 4.49Å; T194-M225 PolarHBondContact N-O 3.36Å; T194-M225 VanDerWaalsContact N-O 3.11Å; C223-M225 PolarHBondContact SG-O 3.37Å
226	L	98.1	Very high	96.8	Very high	36 Å²	36	46.3 Å²	46.3	19%	0.188	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110.9	-175.5	-57.2	170	0	0	0	108.5	T194 A215 I218 C223 Y228 Y250 A254	T194-L226 WeakPolarHBondContact OG1-CD2 3.45Å; A215-L226 HydrophobicContact CB-CD1 4.1Å; A215-L226 HydrophobicContact CB-CD2 4.12Å; A215-L226 HydrophobicContact CB-CG 4.49Å; I218-L226 HydrophobicContact CG2-CD2 3.86Å; C223-L226 HydrophobicContact CB-CD2 4.36Å; L226-Y228 PolarHBondContact O-N 3.29Å; L226-Y250 HydrophobicContact CB-CD1 3.68Å; L226-Y250 HydrophobicContact CB-CE1 3.91Å; L226-A254 HydrophobicContact CD1-CB 4.32Å
227	C	98.1	Very high	96.5	Very high	28 Å²	28	52.7 Å²	52.7	19%	0.189	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.4	173.9	-169.2	0	0	0	0	108.5	Y193 T194 L195 G196 Y250	Y193-C227 HydrophobicContact CD2-CB 4.39Å; Y193-C227 HydrophobicContact CE2-CB 3.42Å; Y193-C227 VanDerWaalsContact CE2-CB 3.42Å; Y193-C227 WeakPolarHBondContact OH-CB 3.47Å; Y193-C227 PolarHBondContact OH-SG 3.28Å; Y193-C227 VanDerWaalsContact OH-SG 3.38Å; T194-C227 WeakPolarHBondContact O-CB 3.26Å; T194-C227 PolarHBondContact O-N 2.95Å; L195-C227 HydrophobicContact CD1-CB 3.83Å; G196-C227 PolarHBondContact N-O 3.19Å; C227-Y250 WeakPolarHBondContact O-CE1 3.25Å; C227-Y250 VanDerWaalsContact O-CZ 3.3Å; C227-Y250 PolarHBondContact O-OH 3.35Å
228	Y	97.1	Very high	96.3	Very high	84 Å²	84	53.4 Å²	53.4	33%	0.329	29%	0.293	S	S	.	.			trans	-63.1	151.1	179.7	82.1	-35.3	0	0	0	112.7	L226 T230 V243 L247	L226-Y228 PolarHBondContact O-N 3.29Å; Y228-T230 HydrophobicContact CD2-CG2 4.38Å; Y228-T230 HydrophobicContact CE2-CG2 3.88Å; Y228-V243 HydrophobicContact CE2-CG1 4.24Å; Y228-L247 HydrophobicContact CD2-CD2 4.08Å; Y228-L247 HydrophobicContact CD2-CG 4.17Å; Y228-L247 HydrophobicContact CE2-CD2 4.41Å; Y228-L247 HydrophobicContact CE2-CG 4.32Å
229	V	97.1	Very high	96.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	31%	0.314	C	S	.	.			trans	-121.8	136.3	173.1	176.2	0	0	0	0	107	L195 L198 D207 H208 S211 E233 Y250	L195-V229 HydrophobicContact CD1-CG2 3.97Å; L195-V229 HydrophobicContact CG-CG2 4.46Å; L198-V229 HydrophobicContact CD1-CG2 4.13Å; D207-V229 HydrophobicContact CB-CG1 3.6Å; H208-V229 WeakPolarHBondContact CA-O 3.47Å; H208-V229 WeakPolarHBondContact CB-O 3.39Å; S211-V229 VanDerWaalsContact OG-CB 3.29Å; S211-V229 WeakPolarHBondContact OG-CB 3.49Å; V229-E233 HydrophobicContact CG1-CB 3.42Å; V229-E233 VanDerWaalsContact CG1-CB 3.42Å; V229-E233 HydrophobicContact CG1-CG 3.65Å; V229-Y250 HydrophobicContact CB-CE2 4.2Å; V229-Y250 VanDerWaalsContact CG2-OH 3.27Å; V229-Y250 WeakPolarHBondContact CG2-OH 3.44Å
230	T	97.5	Very high	96	Very high	6 Å²	6	66.2 Å²	66.2	4%	0.037	35%	0.352	C	S	.	.			trans	-93.5	163.4	-176.9	74	0	0	0	0	110.7	Y228 K232 E233 P238	Y228-T230 HydrophobicContact CD2-CG2 4.38Å; Y228-T230 HydrophobicContact CE2-CG2 3.88Å; T230-K232 PolarHBondContact O-N 3.04Å; T230-K232 VanDerWaalsContact O-N 3.07Å; T230-K232 PolarHBondContact OG1-N 3.35Å; T230-E233 PolarHBondContact O-N 3.5Å; T230-E233 VanDerWaalsContact O-N 3.13Å; T230-E233 PolarHBondContact OG1-N 3.27Å; T230-P238 HydrophobicContact CG2-CB 3.83Å; T230-P238 HydrophobicContact CG2-CG 4.14Å
231	P	96.4	Very high	95.8	Very high	17 Å²	17	64.9 Å²	64.9	11%	0.11	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-27.4	168	-23.9	30.7	0	0	0	113.9	G205 H208 D242 Q245	G205-P231 CarbonylContact C-O 3.54Å; G205-P231 WeakPolarHBondContact CA-O 3.17Å; G205-P231 PolarHBondContact N-O 3.41Å; H208-P231 WeakPolarHBondContact ND1-CA 3.44Å; P231-D242 WeakPolarHBondContact CD-O 3.47Å; P231-Q245 HydrophobicContact CG-CB 3.85Å
232	K	96.5	Very high	95.7	Very high	62 Å²	62	64 Å²	64	27%	0.27	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.1	-178	-80	-162.2	-173.2	135.2	0	115.4	T230 H234 L235 G236 L237 N239 D242	T230-K232 PolarHBondContact O-N 3.04Å; T230-K232 VanDerWaalsContact O-N 3.07Å; T230-K232 PolarHBondContact OG1-N 3.35Å; K232-H234 PolarHBondContact O-N 3.06Å; K232-L235 PolarHBondContact O-N 3.14Å; K232-G236 PolarHBondContact O-N 2.84Å; K232-G236 VanDerWaalsContact O-O 3.1Å; K232-L237 WeakPolarHBondContact CD-O 3.41Å; K232-L237 PolarHBondContact NZ-O 3.36Å; K232-N239 PolarHBondContact NZ-ND2 3.05Å; K232-D242 VanDerWaalsContact CD-OD2 3.3Å; K232-D242 WeakPolarHBondContact CD-OD2 3.43Å; K232-D242 WeakPolarHBondContact CE-OD2 3.39Å; K232-D242 IonicContact NZ-OD2 2.82Å; K232-D242 PolarHBondContact NZ-OD2 2.82Å
233	E	94.7	Very high	95.7	Very high	67 Å²	67	64.5 Å²	64.5	31%	0.313	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140.7	169.9	-164.7	63.9	-148.6	0	0	109.6	D207 V229 T230 L235	D207-E233 HydrophobicContact CB-CB 3.89Å; V229-E233 HydrophobicContact CG1-CB 3.42Å; V229-E233 VanDerWaalsContact CG1-CB 3.42Å; V229-E233 HydrophobicContact CG1-CG 3.65Å; T230-E233 PolarHBondContact O-N 3.5Å; T230-E233 VanDerWaalsContact O-N 3.13Å; T230-E233 PolarHBondContact OG1-N 3.27Å; E233-L235 PolarHBondContact O-N 2.88Å
234	H	93.5	Very high	95.6	Very high	106 Å²	106	67.4 Å²	67.4	49%	0.491	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-0.2	-174	-47.8	115.9	0	0	0	116.8	H170 D207 K232	H170-H234 AromaticContact CE1-CE1 3.46Å; H170-H234 PolarHBondContact CE1-CE1 2.91Å; H170-H234 VanDerWaalsContact CE1-CE1 3.46Å; H170-H234 AromaticContact CE1-NE2 3.71Å; H170-H234 AromaticContact NE2-CE1 3.49Å; H170-H234 PolarHBondContact NE2-CE1 2.72Å; H170-H234 AromaticContact NE2-NE2 3.46Å; H170-H234 PolarHBondContact NE2-NE2 3.24Å; D207-H234 IonicContact OD2-CE1 3.05Å; D207-H234 IonicContact OD2-CG 3.58Å; D207-H234 IonicContact OD2-ND1 2.95Å; D207-H234 PolarHBondContact OD2-ND1 3.11Å; K232-H234 PolarHBondContact O-N 3.06Å
235	L	93.8	Very high	95.5	Very high	112 Å²	112	67 Å²	67	59%	0.586	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-33.5	-176.9	-65.5	179.6	0	0	0	113.9	P204 G205 K232 E233	P204-L235 HydrophobicContact CB-CD1 4.41Å; P204-L235 HydrophobicContact CB-CD2 4.07Å; P204-L235 HydrophobicContact CB-CG 4.17Å; G205-L235 VanDerWaalsContact N-CD1 3.29Å; K232-L235 PolarHBondContact O-N 3.14Å; E233-L235 PolarHBondContact O-N 2.88Å
236	G	90.7	Very high	95.4	Very high	44 Å²	44	63.7 Å²	63.7	45%	0.454	33%	0.325	S	S	.	.	S	Bend	trans	167.1	-170.3	179.4	0	0	0	0	0	113.8	K232	K232-G236 PolarHBondContact O-N 2.84Å; K232-G236 VanDerWaalsContact O-O 3.1Å
237	L	92.2	Very high	95.4	Very high	158 Å²	158	66.4 Å²	66.4	83%	0.827	34%	0.339	S	S	*	.			trans	-74.4	130.9	-179.7	-66.3	173.4	0	0	0	111.5	K232	K232-L237 WeakPolarHBondContact CD-O 3.41Å; K232-L237 PolarHBondContact NZ-O 3.36Å
238	P	95.2	Very high	95.3	Very high	54 Å²	54	67 Å²	67	35%	0.351	34%	0.34	S	S	.	.			trans	-67.4	139.1	178.8	27.6	-33.8	0	0	0	111.8	T230 D242 V243	T230-P238 HydrophobicContact CG2-CB 3.83Å; T230-P238 HydrophobicContact CG2-CG 4.14Å; P238-D242 HydrophobicContact CB-CB 3.77Å; P238-V243 HydrophobicContact CB-CG2 4.18Å
239	N	94.2	Very high	95.4	Very high	80 Å²	80	63.7 Å²	63.7	43%	0.428	33%	0.329	S	S	.	.			trans	-91	-179.3	167.4	70.8	39.2	0	0	0	110.3	K232 E241 D242 V243	K232-N239 PolarHBondContact NZ-ND2 3.05Å; N239-E241 VanDerWaalsContact C-N 3.3Å; N239-E241 PolarHBondContact O-N 3.37Å; N239-E241 WeakPolarHBondContact OD1-CA 3.31Å; N239-E241 WeakPolarHBondContact OD1-CB 3.44Å; N239-E241 PolarHBondContact OD1-N 2.85Å; N239-D242 PolarHBondContact N-OD2 2.91Å; N239-D242 PolarHBondContact ND2-OD2 3.35Å; N239-D242 PolarHBondContact O-N 3.39Å; N239-D242 VanDerWaalsContact OD1-CG 3.29Å; N239-D242 PolarHBondContact OD1-N 3.13Å; N239-D242 PolarHBondContact OD1-OD2 3.38Å; N239-V243 WeakPolarHBondContact O-CG2 3.47Å; N239-V243 PolarHBondContact O-N 2.93Å
240	K	94.7	Very high	95.4	Very high	192 Å²	192	64.3 Å²	64.3	84%	0.835	33%	0.331	S	S	*	.	H	α-helix	trans	-56.3	-38.8	-179.1	-176.1	-179.7	177.5	-177.4	0	114.1	K244	K240-K244 PolarHBondContact O-N 3.44Å; K240-K244 VanDerWaalsContact O-N 3.13Å
241	E	94.9	Very high	95.4	Very high	92 Å²	92	69.9 Å²	69.9	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-74.2	-40.4	179.8	-173.4	56.3	-148.6	0	0	110.9	N239 V243 K244 Q245	N239-E241 VanDerWaalsContact C-N 3.3Å; N239-E241 PolarHBondContact O-N 3.37Å; N239-E241 WeakPolarHBondContact OD1-CA 3.31Å; N239-E241 WeakPolarHBondContact OD1-CB 3.44Å; N239-E241 PolarHBondContact OD1-N 2.85Å; E241-V243 PolarHBondContact O-N 3.34Å; E241-K244 WeakPolarHBondContact O-CB 3.25Å; E241-K244 PolarHBondContact O-N 3.15Å; E241-Q245 HydrophobicContact CG-CG 4.5Å; E241-Q245 WeakPolarHBondContact O-CG 3.35Å; E241-Q245 PolarHBondContact O-N 3.48Å; E241-Q245 PolarHBondContact OE1-NE2 3.17Å
242	D	95.2	Very high	95.5	Very high	21 Å²	21	73.6 Å²	73.6	11%	0.112	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-40	175.6	-53.1	-38.9	0	0	0	111	P231 K232 P238 N239 Q245 G246	P231-D242 WeakPolarHBondContact CD-O 3.47Å; K232-D242 VanDerWaalsContact CD-OD2 3.3Å; K232-D242 WeakPolarHBondContact CD-OD2 3.43Å; K232-D242 WeakPolarHBondContact CE-OD2 3.39Å; K232-D242 IonicContact NZ-OD2 2.82Å; K232-D242 PolarHBondContact NZ-OD2 2.82Å; P238-D242 HydrophobicContact CB-CB 3.77Å; N239-D242 PolarHBondContact N-OD2 2.91Å; N239-D242 PolarHBondContact ND2-OD2 3.35Å; N239-D242 PolarHBondContact O-N 3.39Å; N239-D242 VanDerWaalsContact OD1-CG 3.29Å; N239-D242 PolarHBondContact OD1-N 3.13Å; N239-D242 PolarHBondContact OD1-OD2 3.38Å; D242-Q245 PolarHBondContact O-N 2.81Å; D242-G246 PolarHBondContact O-N 2.92Å
243	V	96.2	Very high	95.6	Very high	45 Å²	45	70.9 Å²	70.9	27%	0.273	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-46.7	173.7	172.2	0	0	0	0	111	Y228 P238 N239 E241 Q245 G246 L247	Y228-V243 HydrophobicContact CE2-CG1 4.24Å; P238-V243 HydrophobicContact CB-CG2 4.18Å; N239-V243 WeakPolarHBondContact O-CG2 3.47Å; N239-V243 PolarHBondContact O-N 2.93Å; E241-V243 PolarHBondContact O-N 3.34Å; V243-Q245 PolarHBondContact O-N 3.46Å; V243-G246 PolarHBondContact O-N 3.29Å; V243-L247 HydrophobicContact CG1-CD1 3.93Å; V243-L247 HydrophobicContact CG1-CG 4.39Å; V243-L247 WeakPolarHBondContact O-CB 3.41Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.11Å; V243-L247 PolarHBondContact O-N 3.31Å
244	K	96.1	Very high	95.8	Very high	69 Å²	69	69.2 Å²	69.2	30%	0.3	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-47.4	177.1	-176.2	-170.8	172.4	-163.3	0	111.1	K240 E241 L247 I248 D291	K240-K244 PolarHBondContact O-N 3.44Å; K240-K244 VanDerWaalsContact O-N 3.13Å; E241-K244 WeakPolarHBondContact O-CB 3.25Å; E241-K244 PolarHBondContact O-N 3.15Å; K244-L247 PolarHBondContact O-N 2.86Å; K244-I248 HydrophobicContact CG-CG1 4.37Å; K244-I248 WeakPolarHBondContact O-CG1 3.28Å; K244-I248 PolarHBondContact O-N 2.73Å; K244-D291 WeakPolarHBondContact CE-OD2 3.16Å; K244-D291 IonicContact NZ-OD1 2.89Å; K244-D291 IonicContact NZ-OD2 2.71Å; K244-D291 PolarHBondContact NZ-OD2 3.18Å
245	Q	96.1	Very high	96	Very high	64 Å²	64	66.3 Å²	66.3	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-44.1	-179.6	-67.4	-60.1	-40	0	0	112	P231 E241 D242 V243 L247 I248 T249	P231-Q245 HydrophobicContact CG-CB 3.85Å; E241-Q245 HydrophobicContact CG-CG 4.5Å; E241-Q245 WeakPolarHBondContact O-CG 3.35Å; E241-Q245 PolarHBondContact O-N 3.48Å; E241-Q245 PolarHBondContact OE1-NE2 3.17Å; D242-Q245 PolarHBondContact O-N 2.81Å; V243-Q245 PolarHBondContact O-N 3.46Å; Q245-L247 PolarHBondContact O-N 2.88Å; Q245-I248 PolarHBondContact O-N 2.96Å; Q245-T249 WeakPolarHBondContact O-CB 3.39Å; Q245-T249 PolarHBondContact O-N 2.9Å; Q245-T249 PolarHBondContact O-OG1 3.32Å
246	G	95.8	Very high	96.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-46	174.3	0	0	0	0	0	112.1	D242 V243 T249 Y250	D242-G246 PolarHBondContact O-N 2.92Å; V243-G246 PolarHBondContact O-N 3.29Å; G246-T249 PolarHBondContact O-N 3.28Å; G246-Y250 WeakPolarHBondContact O-CD2 3.49Å; G246-Y250 PolarHBondContact O-N 3.18Å
247	L	96.6	Very high	96.5	Very high	93 Å²	93	61 Å²	61	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-47.1	178.8	-72	173.4	0	0	0	112.6	Y228 V243 K244 Q245 T249 Y250 K251	Y228-L247 HydrophobicContact CD2-CD2 4.08Å; Y228-L247 HydrophobicContact CD2-CG 4.17Å; Y228-L247 HydrophobicContact CE2-CD2 4.41Å; Y228-L247 HydrophobicContact CE2-CG 4.32Å; V243-L247 HydrophobicContact CG1-CD1 3.93Å; V243-L247 HydrophobicContact CG1-CG 4.39Å; V243-L247 WeakPolarHBondContact O-CB 3.41Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.11Å; V243-L247 PolarHBondContact O-N 3.31Å; K244-L247 PolarHBondContact O-N 2.86Å; Q245-L247 PolarHBondContact O-N 2.88Å; L247-T249 VanDerWaalsContact C-N 3.3Å; L247-T249 PolarHBondContact O-N 2.94Å; L247-Y250 PolarHBondContact O-N 3.4Å; L247-K251 WeakPolarHBondContact O-CB 3.48Å; L247-K251 VanDerWaalsContact O-CG 3.29Å; L247-K251 WeakPolarHBondContact O-CG 3.17Å; L247-K251 PolarHBondContact O-N 3.32Å
248	I	97.4	Very high	96.8	Very high	40 Å²	40	56 Å²	56	21%	0.205	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-42.1	178.6	-67	-62.6	0	0	0	110.6	K244 Q245 Y250 K251 I252 D291	K244-I248 HydrophobicContact CG-CG1 4.37Å; K244-I248 WeakPolarHBondContact O-CG1 3.28Å; K244-I248 PolarHBondContact O-N 2.73Å; Q245-I248 PolarHBondContact O-N 2.96Å; I248-Y250 PolarHBondContact O-N 3Å; I248-K251 PolarHBondContact O-N 3.01Å; I248-I252 HydrophobicContact CG2-CD1 4.08Å; I248-I252 WeakPolarHBondContact O-CG1 3.39Å; I248-I252 PolarHBondContact O-N 2.84Å; I248-D291 HydrophobicContact CD1-CB 4.28Å
249	T	98	Very high	96.9	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.086	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-45.6	178.7	-57.5	0	0	0	0	111.8	H208 Q245 G246 L247 K251 I252 A253	H208-T249 HydrophobicContact CB-CG2 4.34Å; H208-T249 PolarHBondContact CD2-OG1 2.85Å; H208-T249 WeakPolarHBondContact O-CG2 3.32Å; Q245-T249 WeakPolarHBondContact O-CB 3.39Å; Q245-T249 PolarHBondContact O-N 2.9Å; Q245-T249 PolarHBondContact O-OG1 3.32Å; G246-T249 PolarHBondContact O-N 3.28Å; L247-T249 VanDerWaalsContact C-N 3.3Å; L247-T249 PolarHBondContact O-N 2.94Å; T249-K251 PolarHBondContact O-N 3.27Å; T249-I252 WeakPolarHBondContact O-CB 3.24Å; T249-I252 PolarHBondContact O-N 3.24Å; T249-A253 PolarHBondContact O-N 2.69Å
250	Y	98.2	Very high	96.9	Very high	15 Å²	15	54.8 Å²	54.8	6%	0.059	29%	0.285	C	S	.	.	H	α-helix	trans	-73.1	-27.3	179.2	-86.7	-108.9	0	0	0	113.2	G196 S211 A215 L226 C227 V229 G246 L247 I248 I252 A253 A254	G196-Y250 WeakPolarHBondContact CA-OH 3.48Å; S211-Y250 WeakPolarHBondContact CB-OH 3.34Å; S211-Y250 WeakPolarHBondContact OG-CE2 3.39Å; S211-Y250 PolarHBondContact OG-OH 2.93Å; A215-Y250 HydrophobicContact CB-CD1 4.29Å; A215-Y250 HydrophobicContact CB-CE1 3.77Å; L226-Y250 HydrophobicContact CB-CD1 3.68Å; L226-Y250 HydrophobicContact CB-CE1 3.91Å; C227-Y250 WeakPolarHBondContact O-CE1 3.25Å; C227-Y250 VanDerWaalsContact O-CZ 3.3Å; C227-Y250 PolarHBondContact O-OH 3.35Å; V229-Y250 HydrophobicContact CB-CE2 4.2Å; V229-Y250 VanDerWaalsContact CG2-OH 3.27Å; V229-Y250 WeakPolarHBondContact CG2-OH 3.44Å; G246-Y250 WeakPolarHBondContact O-CD2 3.49Å; G246-Y250 PolarHBondContact O-N 3.18Å; L247-Y250 PolarHBondContact O-N 3.4Å; I248-Y250 PolarHBondContact O-N 3Å; Y250-I252 VanDerWaalsContact C-N 3.35Å; Y250-A253 PolarHBondContact O-N 3.45Å; Y250-A254 VanDerWaalsContact O-CB 3.27Å; Y250-A254 WeakPolarHBondContact O-CB 3.49Å; Y250-A254 PolarHBondContact O-N 2.89Å
251	K	98.1	Very high	97	Very high	122 Å²	122	50.7 Å²	50.7	53%	0.53	27%	0.268	S	S	.	.	H	α-helix	trans	-66.9	-35.8	168.8	-72.6	-66.7	-65.4	174.6	0	112.2	L247 I248 T249 H255 L290	L247-K251 WeakPolarHBondContact O-CB 3.48Å; L247-K251 VanDerWaalsContact O-CG 3.29Å; L247-K251 WeakPolarHBondContact O-CG 3.17Å; L247-K251 PolarHBondContact O-N 3.32Å; I248-K251 PolarHBondContact O-N 3.01Å; T249-K251 PolarHBondContact O-N 3.27Å; K251-H255 WeakPolarHBondContact O-CB 3.47Å; K251-H255 PolarHBondContact O-N 2.75Å; K251-H255 VanDerWaalsContact O-N 3.12Å; K251-L290 HydrophobicContact CB-CD1 4.25Å; K251-L290 HydrophobicContact CB-CD2 4.32Å
252	I	97.9	Very high	96.9	Very high	96 Å²	96	49.3 Å²	49.3	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-49.5	172.2	-66.9	164.1	0	0	0	109.7	I248 T249 Y250 A254 H255 A256 L290	I248-I252 HydrophobicContact CG2-CD1 4.08Å; I248-I252 WeakPolarHBondContact O-CG1 3.39Å; I248-I252 PolarHBondContact O-N 2.84Å; T249-I252 WeakPolarHBondContact O-CB 3.24Å; T249-I252 PolarHBondContact O-N 3.24Å; Y250-I252 VanDerWaalsContact C-N 3.35Å; I252-A254 PolarHBondContact O-N 3.33Å; I252-H255 PolarHBondContact O-N 3.49Å; I252-A256 WeakPolarHBondContact O-CB 3.4Å; I252-A256 PolarHBondContact O-N 2.66Å; I252-L290 HydrophobicContact CB-CD1 4.42Å; I252-L290 HydrophobicContact CG1-CD1 3.49Å; I252-L290 VanDerWaalsContact CG1-CD1 3.49Å
253	A	98	Very high	96.9	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-46.3	-179.5	0	0	0	0	0	112.4	G212 A215 A216 T249 Y250 A256 A257	G212-A253 WeakPolarHBondContact O-CB 3.48Å; A215-A253 HydrophobicContact CB-CB 4.07Å; A216-A253 HydrophobicContact CB-CB 4.08Å; T249-A253 PolarHBondContact O-N 2.69Å; Y250-A253 PolarHBondContact O-N 3.45Å; A253-A256 PolarHBondContact O-N 3.28Å; A253-A257 PolarHBondContact O-N 2.64Å
254	A	98.4	Very high	96.3	Very high	33 Å²	33	56.6 Å²	56.6	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-44.8	176.5	0	0	0	0	0	112.3	L226 Y250 I252 A256 A257 D258	L226-A254 HydrophobicContact CD1-CB 4.32Å; Y250-A254 VanDerWaalsContact O-CB 3.27Å; Y250-A254 WeakPolarHBondContact O-CB 3.49Å; Y250-A254 PolarHBondContact O-N 2.89Å; I252-A254 PolarHBondContact O-N 3.33Å; A254-A256 PolarHBondContact O-N 3.13Å; A254-A257 WeakPolarHBondContact O-CB 3.22Å; A254-A257 PolarHBondContact O-N 3.14Å; A254-D258 PolarHBondContact O-N 2.99Å
255	H	97.9	Very high	95.9	Very high	44 Å²	44	55.3 Å²	55.3	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-36.5	178	-175.1	81.1	0	0	0	112.4	K251 I252 D258 L259 A266 D270	K251-H255 WeakPolarHBondContact O-CB 3.47Å; K251-H255 PolarHBondContact O-N 2.75Å; K251-H255 VanDerWaalsContact O-N 3.12Å; I252-H255 PolarHBondContact O-N 3.49Å; H255-D258 PolarHBondContact O-N 3.34Å; H255-L259 WeakPolarHBondContact O-CG 3.26Å; H255-L259 PolarHBondContact O-N 3.12Å; H255-A266 PolarHBondContact CE1-O 2.93Å; H255-D270 IonicContact CD2-OD2 3.6Å; H255-D270 IonicContact CE1-OD2 3.5Å; H255-D270 PolarHBondContact CE1-OD2 3.14Å; H255-D270 IonicContact NE2-OD1 4Å; H255-D270 IonicContact NE2-OD2 2.73Å; H255-D270 PolarHBondContact NE2-OD2 3.26Å
256	A	97.9	Very high	95.9	Very high	40 Å²	40	52.6 Å²	52.6	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-40.3	173.8	0	0	0	0	0	111.8	A216 I252 A253 A254 L259 A260	A216-A256 HydrophobicContact CB-CB 4.41Å; I252-A256 WeakPolarHBondContact O-CB 3.4Å; I252-A256 PolarHBondContact O-N 2.66Å; A253-A256 PolarHBondContact O-N 3.28Å; A254-A256 PolarHBondContact O-N 3.13Å; A256-L259 PolarHBondContact O-N 2.82Å; A256-A260 WeakPolarHBondContact O-CB 3.13Å; A256-A260 PolarHBondContact O-N 3.45Å
257	A	97.9	Very high	95.8	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.033	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-44.3	171.3	0	0	0	0	0	111.7	W220 A253 A254 L259 A260 K261	W220-A257 HydrophobicContact CB-CB 4.44Å; A253-A257 PolarHBondContact O-N 2.64Å; A254-A257 WeakPolarHBondContact O-CB 3.22Å; A254-A257 PolarHBondContact O-N 3.14Å; A257-L259 PolarHBondContact O-N 3.36Å; A257-A260 PolarHBondContact O-N 3.1Å; A257-K261 WeakPolarHBondContact O-CB 3.5Å; A257-K261 WeakPolarHBondContact O-CD 3.31Å; A257-K261 VanDerWaalsContact O-CG 3.22Å; A257-K261 WeakPolarHBondContact O-CG 3.47Å; A257-K261 PolarHBondContact O-N 3.43Å
258	D	98	Very high	95.7	Very high	53 Å²	53	59.8 Å²	59.8	28%	0.283	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-39.8	177.3	-71.4	-29.4	0	0	0	112.5	A254 H255 K261 G262 H263 A266	A254-D258 PolarHBondContact O-N 2.99Å; H255-D258 PolarHBondContact O-N 3.34Å; D258-K261 PolarHBondContact O-N 3.26Å; D258-G262 PolarHBondContact O-N 3.18Å; D258-H263 HydrophobicContact CB-CB 4.02Å; D258-H263 VanDerWaalsContact O-CB 3.31Å; D258-H263 WeakPolarHBondContact O-CB 3.43Å; D258-H263 PolarHBondContact O-N 3.05Å; D258-A266 HydrophobicContact CB-CB 3.92Å
259	L	96.4	Very high	95.5	Very high	58 Å²	58	62.7 Å²	62.7	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-47.7	172.3	-74.8	169.9	0	0	0	111.5	H255 A256 A257 K261 G262 A266 Q267 D270	H255-L259 WeakPolarHBondContact O-CG 3.26Å; H255-L259 PolarHBondContact O-N 3.12Å; A256-L259 PolarHBondContact O-N 2.82Å; A257-L259 PolarHBondContact O-N 3.36Å; L259-K261 VanDerWaalsContact C-N 3.28Å; L259-K261 PolarHBondContact O-N 2.91Å; L259-G262 PolarHBondContact O-N 3.04Å; L259-A266 HydrophobicContact CD2-CB 3.8Å; L259-A266 HydrophobicContact CG-CB 4.06Å; L259-Q267 HydrophobicContact CD2-CB 3.99Å; L259-Q267 HydrophobicContact CD2-CG 4.42Å; L259-D270 WeakPolarHBondContact CD1-OD1 3.41Å
260	A	96	Very high	95.4	Very high	51 Å²	51	64.7 Å²	64.7	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-67.3	-27.9	-179.5	0	0	0	0	0	113	W220 A256 A257 G262	W220-A260 HydrophobicContact CB-CB 4.1Å; W220-A260 VanDerWaalsContact CD1-CB 3.45Å; W220-A260 HydrophobicContact CD2-CB 3.85Å; W220-A260 HydrophobicContact CG-CB 3.54Å; W220-A260 PolarHBondContact NE1-O 3.44Å; A256-A260 WeakPolarHBondContact O-CB 3.13Å; A256-A260 PolarHBondContact O-N 3.45Å; A257-A260 PolarHBondContact O-N 3.1Å; A260-G262 VanDerWaalsContact C-N 3.28Å
261	K	96	Very high	95.2	Very high	107 Å²	107	68.2 Å²	68.2	47%	0.465	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.1	171.4	-72.3	164.9	67.3	179.4	0	113.5	A257 D258 L259	A257-K261 WeakPolarHBondContact O-CB 3.5Å; A257-K261 WeakPolarHBondContact O-CD 3.31Å; A257-K261 VanDerWaalsContact O-CG 3.22Å; A257-K261 WeakPolarHBondContact O-CG 3.47Å; A257-K261 PolarHBondContact O-N 3.43Å; D258-K261 PolarHBondContact O-N 3.26Å; L259-K261 VanDerWaalsContact C-N 3.28Å; L259-K261 PolarHBondContact O-N 2.91Å
262	G	93.3	Very high	95.1	Very high	62 Å²	62	64.2 Å²	64.2	64%	0.639	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	32.4	-172.5	0	0	0	0	0	113.1	D258 L259 A260	D258-G262 PolarHBondContact O-N 3.18Å; L259-G262 PolarHBondContact O-N 3.04Å; A260-G262 VanDerWaalsContact C-N 3.28Å
263	H	94.4	Very high	95	Very high	101 Å²	101	61.1 Å²	61.1	47%	0.468	36%	0.359	S	S	.	.			trans	-62.7	129.4	-178.5	-170.5	-84.1	0	0	0	110.9	D258 G265 A266	D258-H263 HydrophobicContact CB-CB 4.02Å; D258-H263 VanDerWaalsContact O-CB 3.31Å; D258-H263 WeakPolarHBondContact O-CB 3.43Å; D258-H263 PolarHBondContact O-N 3.05Å; H263-G265 PolarHBondContact O-N 3.05Å; H263-A266 HydrophobicContact CB-CB 4.35Å; H263-A266 PolarHBondContact O-N 3.01Å
264	P	84.3	Confident	94.9	Very high	119 Å²	119	63.8 Å²	63.8	77%	0.773	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-5.7	-162.3	21.2	-33.5	0	0	0	116.9
265	G	88.5	Confident	94.6	Very high	41 Å²	41	68 Å²	68	42%	0.423	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-9.6	175.1	0	0	0	0	0	115.3	H263	H263-G265 PolarHBondContact O-N 3.05Å
266	A	94.5	Very high	94.5	Very high	7 Å²	7	66 Å²	66	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-68.7	-53.1	-170.5	0	0	0	0	0	111.5	H255 D258 L259 H263 I268 R269	H255-A266 PolarHBondContact CE1-O 2.93Å; D258-A266 HydrophobicContact CB-CB 3.92Å; L259-A266 HydrophobicContact CD2-CB 3.8Å; L259-A266 HydrophobicContact CG-CB 4.06Å; H263-A266 HydrophobicContact CB-CB 4.35Å; H263-A266 PolarHBondContact O-N 3.01Å; A266-I268 PolarHBondContact O-N 3.21Å; A266-I268 VanDerWaalsContact O-N 3.17Å; A266-R269 PolarHBondContact O-N 3.09Å
267	Q	94.5	Very high	94.3	Very high	128 Å²	128	69.3 Å²	69.3	60%	0.598	38%	0.384	S	S	*	.	H	α-helix	trans	-65.5	-22.6	-174.8	-161.3	178.5	19	0	0	114	L259 R269 D270 N271	L259-Q267 HydrophobicContact CD2-CB 3.99Å; L259-Q267 HydrophobicContact CD2-CG 4.42Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.34Å; Q267-D270 PolarHBondContact O-N 3.48Å; Q267-N271 WeakPolarHBondContact O-CB 3.33Å; Q267-N271 VanDerWaalsContact O-CG 3.3Å; Q267-N271 PolarHBondContact O-N 3Å
268	I	95.1	Very high	94	Very high	117 Å²	117	71.7 Å²	71.7	60%	0.6	39%	0.393	S	S	*	.	H	α-helix	trans	-58.9	-42.4	177.9	-61.6	176.3	0	0	0	110.5	A266 A272	A266-I268 PolarHBondContact O-N 3.21Å; A266-I268 VanDerWaalsContact O-N 3.17Å; I268-A272 WeakPolarHBondContact O-CB 3.48Å; I268-A272 PolarHBondContact O-N 2.87Å
269	R	91.9	Very high	93.7	Very high	100 Å²	100	73.2 Å²	73.2	38%	0.377	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-44.2	-179.6	-171	176.6	-178.4	170.7	2.4	111.7	A266 Q267 A272 M273 L288 A289	A266-R269 PolarHBondContact O-N 3.09Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.34Å; R269-A272 PolarHBondContact O-N 3.06Å; R269-M273 WeakPolarHBondContact O-CB 3.45Å; R269-M273 PolarHBondContact O-N 3.48Å; R269-L288 PolarHBondContact NE-O 3.48Å; R269-L288 VanDerWaalsContact NE-O 3.17Å; R269-L288 PolarHBondContact NH2-O 3.46Å; R269-A289 PolarHBondContact NH2-O 2.94Å
270	D	95.6	Very high	93.5	Very high	56 Å²	56	71.1 Å²	71.1	30%	0.299	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-43.3	177	-67	-106.7	0	0	0	112.2	H255 L259 Q267 M273 S274	H255-D270 IonicContact CD2-OD2 3.6Å; H255-D270 IonicContact CE1-OD2 3.5Å; H255-D270 PolarHBondContact CE1-OD2 3.14Å; H255-D270 IonicContact NE2-OD1 4Å; H255-D270 IonicContact NE2-OD2 2.73Å; H255-D270 PolarHBondContact NE2-OD2 3.26Å; L259-D270 WeakPolarHBondContact CD1-OD1 3.41Å; Q267-D270 PolarHBondContact O-N 3.48Å; D270-M273 PolarHBondContact O-N 2.86Å; D270-S274 VanDerWaalsContact O-CB 3.31Å; D270-S274 WeakPolarHBondContact O-CB 3.13Å; D270-S274 PolarHBondContact O-N 3.46Å; D270-S274 PolarHBondContact O-OG 3.43Å
271	N	95.8	Very high	93.4	Very high	90 Å²	90	72.7 Å²	72.7	48%	0.481	38%	0.382	S	S	.	.	H	α-helix	trans	-67.2	-41.5	178	-72.9	-11.8	0	0	0	111.4	Q267 S274 K275	Q267-N271 WeakPolarHBondContact O-CB 3.33Å; Q267-N271 VanDerWaalsContact O-CG 3.3Å; Q267-N271 PolarHBondContact O-N 3Å; N271-S274 PolarHBondContact O-N 3.09Å; N271-K275 VanDerWaalsContact O-CB 3.28Å; N271-K275 WeakPolarHBondContact O-CB 3.43Å; N271-K275 PolarHBondContact O-N 3.43Å
272	A	95.7	Very high	93.3	Very high	38 Å²	38	68.8 Å²	68.8	31%	0.314	36%	0.364	S	S	.	.	H	α-helix	trans	-60.7	-45.7	175.4	0	0	0	0	0	111.8	I268 R269 A276 L288	I268-A272 WeakPolarHBondContact O-CB 3.48Å; I268-A272 PolarHBondContact O-N 2.87Å; R269-A272 PolarHBondContact O-N 3.06Å; A272-A276 WeakPolarHBondContact O-CB 3.37Å; A272-A276 PolarHBondContact O-N 3.46Å; A272-L288 HydrophobicContact CB-CD1 3.98Å; A272-L288 HydrophobicContact CB-CD2 4.36Å
273	M	95.5	Very high	93.4	Very high	31 Å²	31	68.9 Å²	68.9	15%	0.153	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-47.3	175.5	172.7	69	78.1	0	0	111.6	R269 D270 A276 R277 Q285 L288 A289	R269-M273 WeakPolarHBondContact O-CB 3.45Å; R269-M273 PolarHBondContact O-N 3.48Å; D270-M273 PolarHBondContact O-N 2.86Å; M273-A276 PolarHBondContact O-N 2.94Å; M273-R277 PolarHBondContact O-N 3.46Å; M273-Q285 VanDerWaalsContact CE-O 3.24Å; M273-Q285 WeakPolarHBondContact CE-O 3.38Å; M273-Q285 HydrophobicContact SD-CB 4.26Å; M273-Q285 HydrophobicContact SD-CG 3.4Å; M273-Q285 WeakPolarHBondContact SD-CG 3.28Å; M273-L288 HydrophobicContact CB-CB 4.42Å; M273-L288 HydrophobicContact CE-CB 3.64Å; M273-L288 HydrophobicContact SD-CB 4.26Å; M273-A289 VanDerWaalsContact CE-CA 3.44Å; M273-A289 HydrophobicContact CE-CB 3.92Å
274	S	94.5	Very high	93.4	Very high	59 Å²	59	67.2 Å²	67.2	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-67.3	-38.5	-178.1	-61.7	0	0	0	0	112.3	D270 N271 R277 F278	D270-S274 VanDerWaalsContact O-CB 3.31Å; D270-S274 WeakPolarHBondContact O-CB 3.13Å; D270-S274 PolarHBondContact O-N 3.46Å; D270-S274 PolarHBondContact O-OG 3.43Å; N271-S274 PolarHBondContact O-N 3.09Å; S274-R277 WeakPolarHBondContact O-CB 3.34Å; S274-R277 PolarHBondContact O-N 3.46Å; S274-F278 PolarHBondContact O-N 3.28Å
275	K	93.6	Very high	94	Very high	123 Å²	123	62.9 Å²	62.9	54%	0.535	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-45.4	173.6	-173.3	177.7	177.6	179.7	0	111.2	N271 R277 F278 E279	N271-K275 VanDerWaalsContact O-CB 3.28Å; N271-K275 WeakPolarHBondContact O-CB 3.43Å; N271-K275 PolarHBondContact O-N 3.43Å; K275-R277 VanDerWaalsContact C-N 3.27Å; K275-R277 PolarHBondContact O-N 3.03Å; K275-F278 PolarHBondContact O-N 2.86Å; K275-E279 WeakPolarHBondContact CE-OE1 3.36Å; K275-E279 HydrophobicContact CG-CG 4.4Å; K275-E279 IonicContact NZ-OE1 2.78Å; K275-E279 WeakPolarHBondContact O-CB 3.32Å; K275-E279 WeakPolarHBondContact O-CG 3.34Å; K275-E279 PolarHBondContact O-N 3.36Å
276	A	94.9	Very high	94.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-40.5	175.1	0	0	0	0	0	112	A272 M273 F280 R281 D284 Q285 L288	A272-A276 WeakPolarHBondContact O-CB 3.37Å; A272-A276 PolarHBondContact O-N 3.46Å; M273-A276 PolarHBondContact O-N 2.94Å; A276-F280 PolarHBondContact O-N 3.47Å; A276-R281 HydrophobicContact CB-CB 4.25Å; A276-R281 PolarHBondContact O-N 2.96Å; A276-D284 HydrophobicContact CB-CB 3.9Å; A276-Q285 HydrophobicContact CB-CB 4.27Å; A276-L288 HydrophobicContact CB-CD1 4.41Å
277	R	94.3	Very high	94.4	Very high	111 Å²	111	65.4 Å²	65.4	42%	0.419	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-47	175.7	-175.2	-177.4	-62	156.9	3.1	113	M273 S274 K275 F280 Q285 M324	M273-R277 PolarHBondContact O-N 3.46Å; S274-R277 WeakPolarHBondContact O-CB 3.34Å; S274-R277 PolarHBondContact O-N 3.46Å; K275-R277 VanDerWaalsContact C-N 3.27Å; K275-R277 PolarHBondContact O-N 3.03Å; R277-F280 PolarHBondContact O-N 3.37Å; R277-Q285 HydrophobicContact CB-CG 4.49Å; R277-Q285 VanDerWaalsContact NE-NE2 3.2Å; R277-M324 HydrophobicContact CG-CE 4.04Å; R277-M324 HydrophobicContact CG-SD 4.21Å
278	F	91.4	Very high	94.5	Very high	54 Å²	54	61.8 Å²	61.8	24%	0.237	30%	0.299	C	S	.	.	H	α-helix	trans	-68.6	-35	-178.7	-172.3	-96.9	0	0	0	112.7	S274 K275 F280 M324 R331	S274-F278 PolarHBondContact O-N 3.28Å; K275-F278 PolarHBondContact O-N 2.86Å; F278-F280 VanDerWaalsContact C-N 3.26Å; F278-F280 PolarHBondContact O-N 3.32Å; F278-M324 HydrophobicContact CB-SD 4.43Å; F278-M324 HydrophobicContact CD2-CB 4.2Å; F278-M324 HydrophobicContact CD2-CG 3.96Å; F278-M324 HydrophobicContact CD2-SD 4.06Å; F278-M324 HydrophobicContact CE2-CB 4.28Å; F278-M324 HydrophobicContact CE2-CG 4.3Å; F278-R331 VanDerWaalsContact CE1-NH1 3.31Å
279	E	91.8	Very high	94.5	Very high	85 Å²	85	57.1 Å²	57.1	40%	0.397	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	6.3	177.7	-65.8	172.4	165.1	0	0	113.2	K275 R281	K275-E279 WeakPolarHBondContact CE-OE1 3.36Å; K275-E279 HydrophobicContact CG-CG 4.4Å; K275-E279 IonicContact NZ-OE1 2.78Å; K275-E279 WeakPolarHBondContact O-CB 3.32Å; K275-E279 WeakPolarHBondContact O-CG 3.34Å; K275-E279 PolarHBondContact O-N 3.36Å; E279-R281 HydrophobicContact CB-CG 4.22Å; E279-R281 PolarHBondContact O-N 2.98Å; E279-R281 IonicContact OE2-CZ 3.25Å; E279-R281 VanDerWaalsContact OE2-CZ 3.23Å; E279-R281 IonicContact OE2-NE 3.81Å; E279-R281 PolarHBondContact OE2-NE 3.34Å; E279-R281 IonicContact OE2-NH2 3.86Å; E279-R281 PolarHBondContact OE2-NH2 3.35Å
280	F	91.6	Very high	94.7	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.057	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	29.5	-178.4	-55.4	-81.4	0	0	0	114.5	A276 R277 F278 W282 A311 H312 M324 K325	A276-F280 PolarHBondContact O-N 3.47Å; R277-F280 PolarHBondContact O-N 3.37Å; F278-F280 VanDerWaalsContact C-N 3.26Å; F278-F280 PolarHBondContact O-N 3.32Å; F280-W282 VanDerWaalsContact C-N 3.27Å; F280-W282 PolarHBondContact O-N 2.88Å; F280-W282 VanDerWaalsContact O-N 3.07Å; F280-A311 WeakPolarHBondContact CD1-O 3.4Å; F280-H312 VanDerWaalsContact CD1-CA 3.44Å; F280-H312 HydrophobicContact CD1-CB 4.37Å; F280-H312 HydrophobicContact CD2-CB 3.9Å; F280-H312 AromaticContact CD2-CD2 3.76Å; F280-H312 AromaticContact CD2-CG 3.71Å; F280-H312 HydrophobicContact CE1-CB 4.28Å; F280-H312 WeakPolarHBondContact CE1-O 3.23Å; F280-H312 HydrophobicContact CE2-CB 3.82Å; F280-H312 AromaticContact CE2-CG 3.98Å; F280-H312 HydrophobicContact CG-CB 4.17Å; F280-H312 AromaticContact CG-CD2 3.96Å; F280-H312 HydrophobicContact CZ-CB 4Å; F280-H312 WeakPolarHBondContact CZ-O 3.43Å; F280-M324 HydrophobicContact CE1-CB 4.37Å; F280-M324 HydrophobicContact CE1-CE 4.16Å; F280-M324 HydrophobicContact CE2-CB 4.37Å; F280-M324 HydrophobicContact CZ-CB 3.72Å; F280-K325 HydrophobicContact CZ-CB 4.14Å
281	R	94	Very high	94.7	Very high	85 Å²	85	53.6 Å²	53.6	32%	0.321	27%	0.266	S	S	.	.			trans	-83.1	70.1	172.5	-65.6	-173.3	-71.6	113.7	-0.3	110.1	A276 E279 E283 D284 Q285	A276-R281 HydrophobicContact CB-CB 4.25Å; A276-R281 PolarHBondContact O-N 2.96Å; E279-R281 HydrophobicContact CB-CG 4.22Å; E279-R281 PolarHBondContact O-N 2.98Å; E279-R281 IonicContact OE2-CZ 3.25Å; E279-R281 VanDerWaalsContact OE2-CZ 3.23Å; E279-R281 IonicContact OE2-NE 3.81Å; E279-R281 PolarHBondContact OE2-NE 3.34Å; E279-R281 IonicContact OE2-NH2 3.86Å; E279-R281 PolarHBondContact OE2-NH2 3.35Å; R281-E283 VanDerWaalsContact C-N 3.32Å; R281-E283 PolarHBondContact O-N 3.49Å; R281-D284 HydrophobicContact CB-CB 4.1Å; R281-D284 WeakPolarHBondContact CD-OD2 3.47Å; R281-D284 IonicContact CZ-OD2 2.87Å; R281-D284 IonicContact NE-OD2 3.94Å; R281-D284 IonicContact NH1-OD2 2.94Å; R281-D284 PolarHBondContact NH1-OD2 2.82Å; R281-D284 PolarHBondContact O-N 2.81Å; R281-D284 VanDerWaalsContact O-N 3.12Å; R281-Q285 PolarHBondContact O-N 2.95Å
282	W	93.8	Very high	94.7	Very high	24 Å²	24	51 Å²	51	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-55.1	-42.4	-173.4	-71.5	100.9	0	0	0	113.7	F280 D284 Q285 F286 H299 K309 A311 C314	F280-W282 VanDerWaalsContact C-N 3.27Å; F280-W282 PolarHBondContact O-N 2.88Å; F280-W282 VanDerWaalsContact O-N 3.07Å; W282-D284 PolarHBondContact O-N 3.49Å; W282-Q285 WeakPolarHBondContact O-CB 3.1Å; W282-Q285 PolarHBondContact O-N 3.48Å; W282-F286 HydrophobicContact CB-CE2 3.96Å; W282-F286 HydrophobicContact CB-CZ 3.94Å; W282-F286 HydrophobicContact CD2-CZ 4.49Å; W282-F286 AromaticContact CE3-CE1 3.95Å; W282-F286 HydrophobicContact CE3-CE1 3.95Å; W282-F286 AromaticContact CE3-CZ 3.89Å; W282-F286 HydrophobicContact CE3-CZ 3.89Å; W282-F286 WeakPolarHBondContact O-CD2 3.14Å; W282-F286 WeakPolarHBondContact O-CE2 3.12Å; W282-F286 WeakPolarHBondContact O-CG 3.32Å; W282-F286 PolarHBondContact O-N 3.37Å; W282-H299 AromaticContact CD2-CD2 3.96Å; W282-H299 AromaticContact CD2-NE2 3.9Å; W282-H299 AromaticContact CE2-NE2 3.99Å; W282-H299 AromaticContact CE3-CD2 3.63Å; W282-H299 AromaticContact CZ3-CD2 3.67Å; W282-K309 VanDerWaalsContact CD1-O 3.27Å; W282-A311 PolarHBondContact NE1-O 2.92Å; W282-A311 VanDerWaalsContact NE1-O 3.09Å; W282-C314 HydrophobicContact CH2-CB 3.73Å; W282-C314 HydrophobicContact CZ2-CB 3.86Å
283	E	95	Very high	94.7	Very high	65 Å²	65	57.5 Å²	57.5	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-45.2	177	-72.2	-59.6	144.7	0	0	112.6	R281 Q285 F286 N287 R296	R281-E283 VanDerWaalsContact C-N 3.32Å; R281-E283 PolarHBondContact O-N 3.49Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 3.08Å; E283-F286 PolarHBondContact O-N 3.12Å; E283-N287 WeakPolarHBondContact O-CB 3.32Å; E283-N287 PolarHBondContact O-N 3.32Å; E283-N287 PolarHBondContact O-ND2 2.89Å; E283-N287 VanDerWaalsContact O-ND2 3.1Å; E283-R296 IonicContact OE1-CZ 2.77Å; E283-R296 IonicContact OE1-NH1 2.81Å; E283-R296 PolarHBondContact OE1-NH1 2.65Å; E283-R296 IonicContact OE1-NH2 3.88Å; E283-R296 IonicContact OE2-CZ 2.83Å; E283-R296 IonicContact OE2-NH1 2.59Å; E283-R296 PolarHBondContact OE2-NH1 2.97Å; E283-R296 IonicContact OE2-NH2 2.94Å; E283-R296 PolarHBondContact OE2-NH2 3.1Å
284	D	95.9	Very high	94.6	Very high	65 Å²	65	58 Å²	58	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-67.1	-38.6	178.2	-62.9	-25	0	0	0	110.7	A276 R281 W282 F286 N287 L288	A276-D284 HydrophobicContact CB-CB 3.9Å; R281-D284 HydrophobicContact CB-CB 4.1Å; R281-D284 WeakPolarHBondContact CD-OD2 3.47Å; R281-D284 IonicContact CZ-OD2 2.87Å; R281-D284 IonicContact NE-OD2 3.94Å; R281-D284 IonicContact NH1-OD2 2.94Å; R281-D284 PolarHBondContact NH1-OD2 2.82Å; R281-D284 PolarHBondContact O-N 2.81Å; R281-D284 VanDerWaalsContact O-N 3.12Å; W282-D284 PolarHBondContact O-N 3.49Å; D284-F286 VanDerWaalsContact C-N 3.34Å; D284-F286 PolarHBondContact O-N 3.04Å; D284-N287 PolarHBondContact O-N 2.99Å; D284-L288 WeakPolarHBondContact O-CB 3.37Å; D284-L288 WeakPolarHBondContact O-CD1 3.37Å; D284-L288 WeakPolarHBondContact O-CG 3.46Å; D284-L288 PolarHBondContact O-N 2.8Å
285	Q	95.7	Very high	94.7	Very high	28 Å²	28	56.9 Å²	56.9	13%	0.131	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-43.7	174.8	-168.5	-176.3	-20.6	0	0	111.4	M273 A276 R277 R281 W282 E283	M273-Q285 VanDerWaalsContact CE-O 3.24Å; M273-Q285 WeakPolarHBondContact CE-O 3.38Å; M273-Q285 HydrophobicContact SD-CB 4.26Å; M273-Q285 HydrophobicContact SD-CG 3.4Å; M273-Q285 WeakPolarHBondContact SD-CG 3.28Å; A276-Q285 HydrophobicContact CB-CB 4.27Å; R277-Q285 HydrophobicContact CB-CG 4.49Å; R277-Q285 VanDerWaalsContact NE-NE2 3.2Å; R281-Q285 PolarHBondContact O-N 2.95Å; W282-Q285 WeakPolarHBondContact O-CB 3.1Å; W282-Q285 PolarHBondContact O-N 3.48Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 3.08Å
286	F	95.9	Very high	94.7	Very high	5 Å²	5	54.2 Å²	54.2	2%	0.022	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-46.3	177.3	-53.5	-36.7	0	0	0	111.5	W282 E283 D284 L288 A289 P292 A295 R296 H299 K309	W282-F286 HydrophobicContact CB-CE2 3.96Å; W282-F286 HydrophobicContact CB-CZ 3.94Å; W282-F286 HydrophobicContact CD2-CZ 4.49Å; W282-F286 AromaticContact CE3-CE1 3.95Å; W282-F286 HydrophobicContact CE3-CE1 3.95Å; W282-F286 AromaticContact CE3-CZ 3.89Å; W282-F286 HydrophobicContact CE3-CZ 3.89Å; W282-F286 WeakPolarHBondContact O-CD2 3.14Å; W282-F286 WeakPolarHBondContact O-CE2 3.12Å; W282-F286 WeakPolarHBondContact O-CG 3.32Å; W282-F286 PolarHBondContact O-N 3.37Å; E283-F286 PolarHBondContact O-N 3.12Å; D284-F286 VanDerWaalsContact C-N 3.34Å; D284-F286 PolarHBondContact O-N 3.04Å; F286-L288 VanDerWaalsContact C-N 3.27Å; F286-L288 PolarHBondContact O-N 3.19Å; F286-A289 VanDerWaalsContact O-CB 3.23Å; F286-A289 WeakPolarHBondContact O-CB 3.48Å; F286-A289 PolarHBondContact O-N 2.88Å; F286-A289 VanDerWaalsContact O-N 3.1Å; F286-P292 WeakPolarHBondContact O-CA 3.1Å; F286-P292 VanDerWaalsContact O-CB 3.26Å; F286-P292 WeakPolarHBondContact O-CB 3.33Å; F286-A295 HydrophobicContact CD1-CB 4.04Å; F286-R296 HydrophobicContact CD2-CB 4.16Å; F286-R296 HydrophobicContact CD2-CG 4.21Å; F286-R296 HydrophobicContact CE2-CG 4.37Å; F286-R296 HydrophobicContact CG-CB 4.19Å; F286-H299 HydrophobicContact CE1-CB 3.92Å; F286-H299 HydrophobicContact CZ-CB 3.69Å; F286-H299 AromaticContact CZ-CG 3.68Å; F286-K309 HydrophobicContact CE2-CD 3.86Å; F286-K309 HydrophobicContact CZ-CD 4.47Å
287	N	96.5	Very high	94.7	Very high	96 Å²	96	56.6 Å²	56.6	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-68.6	-25.6	-175.5	-66	-26.2	0	0	0	113.1	E283 D284 A289	E283-N287 WeakPolarHBondContact O-CB 3.32Å; E283-N287 PolarHBondContact O-N 3.32Å; E283-N287 PolarHBondContact O-ND2 2.89Å; E283-N287 VanDerWaalsContact O-ND2 3.1Å; D284-N287 PolarHBondContact O-N 2.99Å; N287-A289 VanDerWaalsContact C-N 3.31Å
288	L	96.1	Very high	94.7	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-78.8	-13.6	175.2	-72.3	166.9	0	0	0	113.3	R269 A272 M273 A276 D284 F286	R269-L288 PolarHBondContact NE-O 3.48Å; R269-L288 VanDerWaalsContact NE-O 3.17Å; R269-L288 PolarHBondContact NH2-O 3.46Å; A272-L288 HydrophobicContact CB-CD1 3.98Å; A272-L288 HydrophobicContact CB-CD2 4.36Å; M273-L288 HydrophobicContact CB-CB 4.42Å; M273-L288 HydrophobicContact CE-CB 3.64Å; M273-L288 HydrophobicContact SD-CB 4.26Å; A276-L288 HydrophobicContact CB-CD1 4.41Å; D284-L288 WeakPolarHBondContact O-CB 3.37Å; D284-L288 WeakPolarHBondContact O-CD1 3.37Å; D284-L288 WeakPolarHBondContact O-CG 3.46Å; D284-L288 PolarHBondContact O-N 2.8Å; F286-L288 VanDerWaalsContact C-N 3.27Å; F286-L288 PolarHBondContact O-N 3.19Å
289	A	95.5	Very high	94.8	Very high	19 Å²	19	57.2 Å²	57.2	16%	0.157	28%	0.284	C	S	.	.	S	Bend	trans	-68.9	158.5	-176.9	0	0	0	0	0	112.2	R269 M273 F286 N287 D291 A295	R269-A289 PolarHBondContact NH2-O 2.94Å; M273-A289 VanDerWaalsContact CE-CA 3.44Å; M273-A289 HydrophobicContact CE-CB 3.92Å; F286-A289 VanDerWaalsContact O-CB 3.23Å; F286-A289 WeakPolarHBondContact O-CB 3.48Å; F286-A289 PolarHBondContact O-N 2.88Å; F286-A289 VanDerWaalsContact O-N 3.1Å; N287-A289 VanDerWaalsContact C-N 3.31Å; A289-D291 VanDerWaalsContact C-N 3.28Å; A289-A295 HydrophobicContact CB-CB 4.13Å
290	L	95	Very high	94.9	Very high	59 Å²	59	55 Å²	55	31%	0.309	28%	0.275	S	S	.	.	S	Bend	trans	-68.8	-30.2	171.4	-75.1	171	0	0	0	112.1	K251 I252	K251-L290 HydrophobicContact CB-CD1 4.25Å; K251-L290 HydrophobicContact CB-CD2 4.32Å; I252-L290 HydrophobicContact CB-CD1 4.42Å; I252-L290 HydrophobicContact CG1-CD1 3.49Å; I252-L290 VanDerWaalsContact CG1-CD1 3.49Å
291	D	96	Very high	94.9	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.118	31%	0.305	C	S	.	.	S	Bend	trans	-128.8	86.3	171.3	-172.3	-4	0	0	0	110.7	K244 I248 A289 F293 T294 A295	K244-D291 WeakPolarHBondContact CE-OD2 3.16Å; K244-D291 IonicContact NZ-OD1 2.89Å; K244-D291 IonicContact NZ-OD2 2.71Å; K244-D291 PolarHBondContact NZ-OD2 3.18Å; I248-D291 HydrophobicContact CD1-CB 4.28Å; A289-D291 VanDerWaalsContact C-N 3.28Å; D291-F293 VanDerWaalsContact C-N 3.27Å; D291-F293 PolarHBondContact O-N 3.18Å; D291-F293 PolarHBondContact OD1-N 3.17Å; D291-T294 PolarHBondContact O-N 2.86Å; D291-T294 PolarHBondContact OD1-N 3.48Å; D291-T294 WeakPolarHBondContact OD2-CB 3.33Å; D291-T294 PolarHBondContact OD2-OG1 3.43Å; D291-A295 PolarHBondContact O-N 3.05Å; D291-A295 VanDerWaalsContact O-N 3.16Å
292	P	96.4	Very high	94.5	Very high	36 Å²	36	60.8 Å²	60.8	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-33.8	-178.7	-27.2	36.3	0	0	0	114.2	F286 R296	F286-P292 WeakPolarHBondContact O-CA 3.1Å; F286-P292 VanDerWaalsContact O-CB 3.26Å; F286-P292 WeakPolarHBondContact O-CB 3.33Å; P292-R296 WeakPolarHBondContact O-CB 3.21Å; P292-R296 PolarHBondContact O-N 3.45Å; P292-R296 VanDerWaalsContact O-N 3.11Å
293	F	94.5	Very high	94.3	Very high	174 Å²	174	60.8 Å²	60.8	76%	0.763	31%	0.312	S	S	*	.	H	α-helix	trans	-67.5	-44.4	-177.6	-62.6	-77.8	0	0	0	110.9	D291 A297	D291-F293 VanDerWaalsContact C-N 3.27Å; D291-F293 PolarHBondContact O-N 3.18Å; D291-F293 PolarHBondContact OD1-N 3.17Å; F293-A297 WeakPolarHBondContact O-CB 3.35Å; F293-A297 PolarHBondContact O-N 3.45Å
294	T	94.9	Very high	93.9	Very high	43 Å²	43	61.1 Å²	61.1	26%	0.264	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-44.3	177.4	-61.4	0	0	0	0	111.6	D291 R296 A297 Y298	D291-T294 PolarHBondContact O-N 2.86Å; D291-T294 PolarHBondContact OD1-N 3.48Å; D291-T294 WeakPolarHBondContact OD2-CB 3.33Å; D291-T294 PolarHBondContact OD2-OG1 3.43Å; T294-R296 VanDerWaalsContact C-N 3.31Å; T294-R296 PolarHBondContact O-N 2.73Å; T294-A297 PolarHBondContact O-N 3.41Å; T294-Y298 HydrophobicContact CG2-CD2 4.38Å; T294-Y298 HydrophobicContact CG2-CE1 4.18Å; T294-Y298 HydrophobicContact CG2-CE2 3.98Å; T294-Y298 PolarHBondContact O-N 3.33Å; T294-Y298 VanDerWaalsContact O-N 3.12Å
295	A	94.9	Very high	93.5	Very high	34 Å²	34	62.8 Å²	62.8	28%	0.281	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-42.1	178.8	0	0	0	0	0	112.6	F286 A289 D291 H299	F286-A295 HydrophobicContact CD1-CB 4.04Å; A289-A295 HydrophobicContact CB-CB 4.13Å; D291-A295 PolarHBondContact O-N 3.05Å; D291-A295 VanDerWaalsContact O-N 3.16Å; A295-H299 PolarHBondContact O-N 2.98Å
296	R	95.4	Very high	93	Very high	68 Å²	68	68.7 Å²	68.7	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-45.7	176.8	-175.7	-178	-59.6	-80.1	-3.7	112.3	E283 F286 P292 T294 Y298 H299 D300	E283-R296 IonicContact OE1-CZ 2.77Å; E283-R296 IonicContact OE1-NH1 2.81Å; E283-R296 PolarHBondContact OE1-NH1 2.65Å; E283-R296 IonicContact OE1-NH2 3.88Å; E283-R296 IonicContact OE2-CZ 2.83Å; E283-R296 IonicContact OE2-NH1 2.59Å; E283-R296 PolarHBondContact OE2-NH1 2.97Å; E283-R296 IonicContact OE2-NH2 2.94Å; E283-R296 PolarHBondContact OE2-NH2 3.1Å; F286-R296 HydrophobicContact CD2-CB 4.16Å; F286-R296 HydrophobicContact CD2-CG 4.21Å; F286-R296 HydrophobicContact CE2-CG 4.37Å; F286-R296 HydrophobicContact CG-CB 4.19Å; P292-R296 WeakPolarHBondContact O-CB 3.21Å; P292-R296 PolarHBondContact O-N 3.45Å; P292-R296 VanDerWaalsContact O-N 3.11Å; T294-R296 VanDerWaalsContact C-N 3.31Å; T294-R296 PolarHBondContact O-N 2.73Å; R296-Y298 VanDerWaalsContact C-N 3.33Å; R296-Y298 PolarHBondContact O-N 2.95Å; R296-H299 PolarHBondContact O-N 3.46Å; R296-D300 WeakPolarHBondContact O-CB 3.09Å; R296-D300 PolarHBondContact O-N 3.49Å; R296-D300 VanDerWaalsContact O-N 3.08Å
297	A	94.6	Very high	92.4	Very high	50 Å²	50	72.3 Å²	72.3	41%	0.413	38%	0.38	S	S	.	.	H	α-helix	trans	-56.7	-46.7	-179.6	0	0	0	0	0	111.7	F293 T294 H299 D300 E301	F293-A297 WeakPolarHBondContact O-CB 3.35Å; F293-A297 PolarHBondContact O-N 3.45Å; T294-A297 PolarHBondContact O-N 3.41Å; A297-H299 PolarHBondContact O-N 2.94Å; A297-D300 PolarHBondContact O-N 3.48Å; A297-E301 WeakPolarHBondContact O-CG 3.47Å; A297-E301 PolarHBondContact O-N 2.89Å; A297-E301 VanDerWaalsContact O-N 3.1Å
298	Y	94.3	Very high	91.8	Very high	159 Å²	159	67.9 Å²	67.9	62%	0.624	36%	0.357	S	S	*	.	H	α-helix	trans	-66.2	-34.1	-178.8	-72.5	-0.9	0	0	0	114	T294 R296	T294-Y298 HydrophobicContact CG2-CD2 4.38Å; T294-Y298 HydrophobicContact CG2-CE1 4.18Å; T294-Y298 HydrophobicContact CG2-CE2 3.98Å; T294-Y298 PolarHBondContact O-N 3.33Å; T294-Y298 VanDerWaalsContact O-N 3.12Å; R296-Y298 VanDerWaalsContact C-N 3.33Å; R296-Y298 PolarHBondContact O-N 2.95Å
299	H	93.1	Very high	91.3	Very high	18 Å²	18	66 Å²	66	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-45.7	172.8	173.6	-82.6	0	0	0	110.8	W282 F286 A295 R296 A297 E301 T302 L303	W282-H299 AromaticContact CD2-CD2 3.96Å; W282-H299 AromaticContact CD2-NE2 3.9Å; W282-H299 AromaticContact CE2-NE2 3.99Å; W282-H299 AromaticContact CE3-CD2 3.63Å; W282-H299 AromaticContact CZ3-CD2 3.67Å; F286-H299 HydrophobicContact CE1-CB 3.92Å; F286-H299 HydrophobicContact CZ-CB 3.69Å; F286-H299 AromaticContact CZ-CG 3.68Å; A295-H299 PolarHBondContact O-N 2.98Å; R296-H299 PolarHBondContact O-N 3.46Å; A297-H299 PolarHBondContact O-N 2.94Å; H299-E301 VanDerWaalsContact C-N 3.28Å; H299-E301 PolarHBondContact O-N 3.47Å; H299-T302 PolarHBondContact O-N 2.91Å; H299-T302 PolarHBondContact O-OG1 3.28Å; H299-L303 PolarHBondContact O-N 3.13Å
300	D	93	Very high	90.7	Very high	39 Å²	39	70.3 Å²	70.3	21%	0.209	37%	0.37	C	S	.	.	H	α-helix	trans	-75.9	-15.1	-170.5	-70.2	-0.8	0	0	0	113.8	R296 A297 T302 P304 K309	R296-D300 WeakPolarHBondContact O-CB 3.09Å; R296-D300 PolarHBondContact O-N 3.49Å; R296-D300 VanDerWaalsContact O-N 3.08Å; A297-D300 PolarHBondContact O-N 3.48Å; D300-T302 PolarHBondContact O-N 2.76Å; D300-T302 VanDerWaalsContact O-N 3.15Å; D300-P304 WeakPolarHBondContact O-CB 3.38Å; D300-P304 WeakPolarHBondContact O-CD 3.49Å; D300-K309 WeakPolarHBondContact OD1-CE 3.24Å; D300-K309 IonicContact OD1-NZ 2.84Å; D300-K309 PolarHBondContact OD1-NZ 3.35Å; D300-K309 WeakPolarHBondContact OD2-CE 3.41Å; D300-K309 IonicContact OD2-NZ 3.87Å; D300-K309 PolarHBondContact OD2-NZ 3Å
301	E	92.5	Very high	90.1	Very high	146 Å²	146	68 Å²	68	68%	0.682	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.7	168.8	-78.8	175.9	-151.7	0	0	113	A297 H299	A297-E301 WeakPolarHBondContact O-CG 3.47Å; A297-E301 PolarHBondContact O-N 2.89Å; A297-E301 VanDerWaalsContact O-N 3.1Å; H299-E301 VanDerWaalsContact C-N 3.28Å; H299-E301 PolarHBondContact O-N 3.47Å
302	T	86.6	Confident	89.7	Confident	74 Å²	74	71.8 Å²	71.8	45%	0.454	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-26.3	-177.3	58.7	0	0	0	0	114.1	H299 D300 S315	H299-T302 PolarHBondContact O-N 2.91Å; H299-T302 PolarHBondContact O-OG1 3.28Å; D300-T302 PolarHBondContact O-N 2.76Å; D300-T302 VanDerWaalsContact O-N 3.15Å; T302-S315 WeakPolarHBondContact CB-OG 3.08Å; T302-S315 VanDerWaalsContact OG1-CB 3.23Å; T302-S315 WeakPolarHBondContact OG1-CB 3.33Å; T302-S315 PolarHBondContact OG1-OG 3.42Å
303	L	87.8	Confident	89.1	Confident	23 Å²	23	72.7 Å²	72.7	12%	0.12	38%	0.377	C	S	.	.			trans	-134.6	66.3	179.3	-67.7	172.9	0	0	0	111	H299 Q305 F313	H299-L303 PolarHBondContact O-N 3.13Å; L303-Q305 PolarHBondContact O-N 3.21Å; L303-F313 HydrophobicContact CD1-CE2 4.39Å
304	P	87.7	Confident	88.6	Confident	73 Å²	73	66.2 Å²	66.2	47%	0.474	35%	0.353	S	S	.	.			trans	-70.8	-29.8	-172.5	26.3	-33.2	0	0	0	113.3	D300	D300-P304 WeakPolarHBondContact O-CB 3.38Å; D300-P304 WeakPolarHBondContact O-CD 3.49Å
305	Q	87.6	Confident	88	Confident	99 Å²	99	67.4 Å²	67.4	46%	0.463	36%	0.363	S	S	.	.	S	Bend	trans	-56.4	146.1	-179.8	41.4	-88.9	6.8	0	0	113.6	L303 S307 G308	L303-Q305 PolarHBondContact O-N 3.21Å; Q305-S307 WeakPolarHBondContact CG-OG 3.26Å; Q305-S307 PolarHBondContact O-N 3.28Å; Q305-S307 VanDerWaalsContact O-N 3.17Å; Q305-G308 WeakPolarHBondContact O-CA 3.3Å; Q305-G308 PolarHBondContact O-N 2.95Å
306	E	84.9	Confident	87.3	Confident	153 Å²	153	73.5 Å²	73.5	72%	0.715	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-53.3	-35.2	174.3	-70.6	-59.1	136.1	0	0	112.9	G308 K309	E306-G308 PolarHBondContact O-N 3.39Å; E306-K309 WeakPolarHBondContact O-CB 3.36Å; E306-K309 PolarHBondContact O-N 2.96Å
307	S	83.4	Confident	86	Confident	81 Å²	81	72.9 Å²	72.9	57%	0.566	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-62.9	-22.6	174.7	56.2	0	0	0	0	113.5	Q305 K309 V310 A311	Q305-S307 WeakPolarHBondContact CG-OG 3.26Å; Q305-S307 PolarHBondContact O-N 3.28Å; Q305-S307 VanDerWaalsContact O-N 3.17Å; S307-K309 VanDerWaalsContact C-N 3.33Å; S307-V310 WeakPolarHBondContact O-CG2 3.28Å; S307-A311 PolarHBondContact O-N 3.21Å
308	G	83	Confident	85.4	Confident	3 Å²	3	71.3 Å²	71.3	3%	0.031	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-67.8	-30.6	172.4	0	0	0	0	0	113	Q305 E306 V310 A311	Q305-G308 WeakPolarHBondContact O-CA 3.3Å; Q305-G308 PolarHBondContact O-N 2.95Å; E306-G308 PolarHBondContact O-N 3.39Å; G308-V310 PolarHBondContact O-N 3.47Å; G308-A311 WeakPolarHBondContact O-CB 3.43Å; G308-A311 PolarHBondContact O-N 3.35Å
309	K	85.8	Confident	84.7	Confident	13 Å²	13	66.9 Å²	66.9	6%	0.057	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-74.8	-9.4	-178.7	-55.1	-58.1	-164.8	-66.6	0	114.2	W282 F286 D300 E306 S307	W282-K309 VanDerWaalsContact CD1-O 3.27Å; F286-K309 HydrophobicContact CE2-CD 3.86Å; F286-K309 HydrophobicContact CZ-CD 4.47Å; D300-K309 WeakPolarHBondContact OD1-CE 3.24Å; D300-K309 IonicContact OD1-NZ 2.84Å; D300-K309 PolarHBondContact OD1-NZ 3.35Å; D300-K309 WeakPolarHBondContact OD2-CE 3.41Å; D300-K309 IonicContact OD2-NZ 3.87Å; D300-K309 PolarHBondContact OD2-NZ 3Å; E306-K309 WeakPolarHBondContact O-CB 3.36Å; E306-K309 PolarHBondContact O-N 2.96Å; S307-K309 VanDerWaalsContact C-N 3.33Å
310	V	84.3	Confident	83.8	Confident	109 Å²	109	74.1 Å²	74.1	66%	0.661	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-122.7	6.8	176	-63.8	0	0	0	0	111.9	S307 G308	S307-V310 WeakPolarHBondContact O-CG2 3.28Å; G308-V310 PolarHBondContact O-N 3.47Å
311	A	80.9	Confident	83.1	Confident	12 Å²	12	79.9 Å²	79.9	10%	0.099	43%	0.427	C	S	.	.			trans	-74.2	134.9	-178.9	0	0	0	0	0	111	F280 W282 S307 G308 F313	F280-A311 WeakPolarHBondContact CD1-O 3.4Å; W282-A311 PolarHBondContact NE1-O 2.92Å; W282-A311 VanDerWaalsContact NE1-O 3.09Å; S307-A311 PolarHBondContact O-N 3.21Å; G308-A311 WeakPolarHBondContact O-CB 3.43Å; G308-A311 PolarHBondContact O-N 3.35Å; A311-F313 HydrophobicContact CB-CD1 4.04Å; A311-F313 HydrophobicContact CB-CE1 3.84Å; A311-F313 HydrophobicContact CB-CZ 4.15Å; A311-F313 PolarHBondContact O-N 3.46Å
312	H	87.5	Confident	82.8	Confident	101 Å²	101	73.3 Å²	73.3	47%	0.468	40%	0.397	S	S	.	.	S	Bend	trans	-77.2	38	172.7	-66.6	-166.9	0	0	0	112.5	F280 K325	F280-H312 VanDerWaalsContact CD1-CA 3.44Å; F280-H312 HydrophobicContact CD1-CB 4.37Å; F280-H312 HydrophobicContact CD2-CB 3.9Å; F280-H312 AromaticContact CD2-CD2 3.76Å; F280-H312 AromaticContact CD2-CG 3.71Å; F280-H312 HydrophobicContact CE1-CB 4.28Å; F280-H312 WeakPolarHBondContact CE1-O 3.23Å; F280-H312 HydrophobicContact CE2-CB 3.82Å; F280-H312 AromaticContact CE2-CG 3.98Å; F280-H312 HydrophobicContact CG-CB 4.17Å; F280-H312 AromaticContact CG-CD2 3.96Å; F280-H312 HydrophobicContact CZ-CB 4Å; F280-H312 WeakPolarHBondContact CZ-O 3.43Å; H312-K325 HydrophobicContact CB-CD 4.31Å; H312-K325 HydrophobicContact CB-CG 4.23Å; H312-K325 WeakPolarHBondContact O-CB 3.29Å
313	F	84.5	Confident	82.5	Confident	55 Å²	55	73.4 Å²	73.4	24%	0.241	40%	0.401	C	S	.	.			trans	-168.8	164.4	176.6	61.5	-84.4	0	0	0	109.7	L303 A311 G318 P319 C322	L303-F313 HydrophobicContact CD1-CE2 4.39Å; A311-F313 HydrophobicContact CB-CD1 4.04Å; A311-F313 HydrophobicContact CB-CE1 3.84Å; A311-F313 HydrophobicContact CB-CZ 4.15Å; A311-F313 PolarHBondContact O-N 3.46Å; F313-G318 WeakPolarHBondContact CB-O 3.17Å; F313-P319 HydrophobicContact CD1-CB 3.83Å; F313-P319 HydrophobicContact CE1-CB 3.87Å; F313-P319 HydrophobicContact CG-CB 4.18Å; F313-P319 HydrophobicContact CZ-CB 4.24Å; F313-C322 HydrophobicContact CB-CB 3.93Å
314	C	84.5	Confident	82.6	Confident	37 Å²	37	74.6 Å²	74.6	25%	0.25	41%	0.407	C	S	.	.			trans	-117.4	-179.4	161.8	67.3	0	0	0	0	110.1	W282 M316 G318	W282-C314 HydrophobicContact CH2-CB 3.73Å; W282-C314 HydrophobicContact CZ2-CB 3.86Å; C314-M316 PolarHBondContact O-N 3.3Å; C314-G318 PolarHBondContact O-N 2.84Å; C314-G318 VanDerWaalsContact O-N 3.11Å
315	S	82	Confident	82.5	Confident	69 Å²	69	73.8 Å²	73.8	48%	0.483	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.1	178.8	54.4	0	0	0	0	114.4	T302	T302-S315 WeakPolarHBondContact CB-OG 3.08Å; T302-S315 VanDerWaalsContact OG1-CB 3.23Å; T302-S315 WeakPolarHBondContact OG1-CB 3.33Å; T302-S315 PolarHBondContact OG1-OG 3.42Å
316	M	80.4	Confident	82.2	Confident	162 Å²	162	72.4 Å²	72.4	80%	0.798	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-48.3	-177.2	-172.6	63.9	70.5	0	0	113.2	C314	C314-M316 PolarHBondContact O-N 3.3Å
317	C	68.4	Low	82	Confident	54 Å²	54	67.7 Å²	67.7	37%	0.365	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-16.8	-178	-51	0	0	0	0	112.7	F321 C322	C317-F321 HydrophobicContact CB-CB 4.25Å; C317-F321 WeakPolarHBondContact CB-O 3.39Å; C317-F321 WeakPolarHBondContact O-CB 3.5Å; C317-C322 HydrophobicContact CB-CB 4.37Å
318	G	80.5	Confident	82	Confident	18 Å²	18	66.9 Å²	66.9	19%	0.186	36%	0.362	C	S	.	.	H	α-helix	trans	61.7	-174.4	-170	0	0	0	0	0	113.4	F313 C314 K320 C322	F313-G318 WeakPolarHBondContact CB-O 3.17Å; C314-G318 PolarHBondContact O-N 2.84Å; C314-G318 VanDerWaalsContact O-N 3.11Å; G318-K320 VanDerWaalsContact C-N 3.31Å; G318-K320 PolarHBondContact O-N 2.82Å; G318-C322 PolarHBondContact O-N 3.12Å
319	P	79.9	Confident	81.9	Confident	65 Å²	65	71.7 Å²	71.7	42%	0.422	38%	0.384	S	S	.	.	H	α-helix	trans	-72.7	-17.5	-169.9	27.1	-35.6	0	0	0	115	F313 K325	F313-P319 HydrophobicContact CD1-CB 3.83Å; F313-P319 HydrophobicContact CE1-CB 3.87Å; F313-P319 HydrophobicContact CG-CB 4.18Å; F313-P319 HydrophobicContact CZ-CB 4.24Å; P319-K325 PolarHBondContact O-NZ 3.28Å
320	K	75.3	Confident	81.3	Confident	171 Å²	171	75.3 Å²	75.3	74%	0.743	41%	0.407	S	S	*	.	H	α-helix	trans	-97.8	-23.5	-174.5	-66.9	-172.7	-179.2	-179	0	114.1	G318	G318-K320 VanDerWaalsContact C-N 3.31Å; G318-K320 PolarHBondContact O-N 2.82Å
321	F	77.7	Confident	81	Confident	159 Å²	159	77.3 Å²	77.3	70%	0.697	40%	0.402	S	S	*	.	H	α-helix	trans	-121.3	7.9	-173	-57.6	-83.1	0	0	0	113.1	C317 S323	C317-F321 HydrophobicContact CB-CB 4.25Å; C317-F321 WeakPolarHBondContact CB-O 3.39Å; C317-F321 WeakPolarHBondContact O-CB 3.5Å; F321-S323 PolarHBondContact O-N 3.27Å; F321-S323 VanDerWaalsContact O-N 3.09Å
322	C	86.5	Confident	80.7	Confident	8 Å²	8	80.7 Å²	80.7	5%	0.054	42%	0.419	C	S	.	.			trans	-64.3	112.6	175.4	-179.8	0	0	0	0	110.2	F313 C317 G318 M324 K325 I326	F313-C322 HydrophobicContact CB-CB 3.93Å; C317-C322 HydrophobicContact CB-CB 4.37Å; G318-C322 PolarHBondContact O-N 3.12Å; C322-M324 VanDerWaalsContact C-N 3.34Å; C322-M324 PolarHBondContact O-N 3.19Å; C322-K325 HydrophobicContact CB-CB 3.87Å; C322-K325 WeakPolarHBondContact O-CB 3.42Å; C322-K325 PolarHBondContact O-N 3.38Å; C322-I326 WeakPolarHBondContact O-CG1 3.23Å; C322-I326 PolarHBondContact O-N 3.08Å
323	S	80.9	Confident	79.7	Confident	77 Å²	77	82.4 Å²	82.4	54%	0.538	42%	0.422	S	S	.	.	H	α-helix	trans	-60.3	-38.4	-177.2	55.4	0	0	0	0	113.3	F321 I326 S327	F321-S323 PolarHBondContact O-N 3.27Å; F321-S323 VanDerWaalsContact O-N 3.09Å; S323-I326 PolarHBondContact O-N 3.12Å; S323-S327 VanDerWaalsContact O-CB 3.3Å; S323-S327 WeakPolarHBondContact O-CB 2.98Å; S323-S327 PolarHBondContact O-N 2.93Å; S323-S327 PolarHBondContact O-OG 2.65Å
324	M	89.3	Confident	78.6	Confident	47 Å²	47	81.8 Å²	81.8	23%	0.232	43%	0.427	C	S	.	.	H	α-helix	trans	-68	-37.6	177.5	-65	-173.6	-66.8	0	0	111.6	R277 F278 F280 C322 S327 Q328	R277-M324 HydrophobicContact CG-CE 4.04Å; R277-M324 HydrophobicContact CG-SD 4.21Å; F278-M324 HydrophobicContact CB-SD 4.43Å; F278-M324 HydrophobicContact CD2-CB 4.2Å; F278-M324 HydrophobicContact CD2-CG 3.96Å; F278-M324 HydrophobicContact CD2-SD 4.06Å; F278-M324 HydrophobicContact CE2-CB 4.28Å; F278-M324 HydrophobicContact CE2-CG 4.3Å; F280-M324 HydrophobicContact CE1-CB 4.37Å; F280-M324 HydrophobicContact CE1-CE 4.16Å; F280-M324 HydrophobicContact CE2-CB 4.37Å; F280-M324 HydrophobicContact CZ-CB 3.72Å; C322-M324 VanDerWaalsContact C-N 3.34Å; C322-M324 PolarHBondContact O-N 3.19Å; M324-S327 PolarHBondContact O-N 2.75Å; M324-Q328 PolarHBondContact O-N 2.92Å
325	K	84.7	Confident	77.4	Confident	56 Å²	56	82.9 Å²	82.9	24%	0.243	44%	0.439	C	S	.	.	H	α-helix	trans	-66	-48.3	174.9	-174.6	-171.9	168.9	-165.1	0	111.2	F280 H312 P319 C322 S327 Q328 E329	F280-K325 HydrophobicContact CZ-CB 4.14Å; H312-K325 HydrophobicContact CB-CD 4.31Å; H312-K325 HydrophobicContact CB-CG 4.23Å; H312-K325 WeakPolarHBondContact O-CB 3.29Å; P319-K325 PolarHBondContact O-NZ 3.28Å; C322-K325 HydrophobicContact CB-CB 3.87Å; C322-K325 WeakPolarHBondContact O-CB 3.42Å; C322-K325 PolarHBondContact O-N 3.38Å; K325-S327 VanDerWaalsContact C-N 3.27Å; K325-S327 PolarHBondContact O-N 2.99Å; K325-Q328 WeakPolarHBondContact O-CB 3.27Å; K325-Q328 PolarHBondContact O-N 3.3Å; K325-Q328 VanDerWaalsContact O-N 3.15Å; K325-E329 WeakPolarHBondContact CE-OE1 3.48Å; K325-E329 IonicContact NZ-OE1 3.39Å; K325-E329 WeakPolarHBondContact O-CG 2.98Å; K325-E329 PolarHBondContact O-N 2.88Å
326	I	81.2	Confident	76	Confident	71 Å²	71	84.4 Å²	84.4	36%	0.364	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-41.6	175.7	-66.2	166.1	0	0	0	110.2	C322 S323 Q328 E329 V330	C322-I326 WeakPolarHBondContact O-CG1 3.23Å; C322-I326 PolarHBondContact O-N 3.08Å; S323-I326 PolarHBondContact O-N 3.12Å; I326-Q328 VanDerWaalsContact C-N 3.34Å; I326-Q328 PolarHBondContact O-N 3.39Å; I326-E329 PolarHBondContact O-N 2.86Å; I326-V330 HydrophobicContact CG2-CG2 4.37Å; I326-V330 WeakPolarHBondContact O-CB 3.38Å; I326-V330 VanDerWaalsContact O-CG2 3.28Å; I326-V330 WeakPolarHBondContact O-CG2 3.38Å; I326-V330 PolarHBondContact O-N 3.41Å
327	S	82.3	Confident	74.2	Confident	53 Å²	53	81.6 Å²	81.6	37%	0.371	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-38.6	176.8	-60.8	0	0	0	0	112.3	S323 M324 K325 V330 R331	S323-S327 VanDerWaalsContact O-CB 3.3Å; S323-S327 WeakPolarHBondContact O-CB 2.98Å; S323-S327 PolarHBondContact O-N 2.93Å; S323-S327 PolarHBondContact O-OG 2.65Å; M324-S327 PolarHBondContact O-N 2.75Å; K325-S327 VanDerWaalsContact C-N 3.27Å; K325-S327 PolarHBondContact O-N 2.99Å; S327-V330 PolarHBondContact O-N 3.36Å; S327-R331 WeakPolarHBondContact O-CB 3.46Å; S327-R331 WeakPolarHBondContact O-CG 3.26Å; S327-R331 PolarHBondContact O-N 3.17Å
328	Q	82.2	Confident	73	Confident	65 Å²	65	83.4 Å²	83.4	30%	0.304	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-45.3	173.7	-171.5	62.8	43.9	0	0	110.9	M324 K325 I326 V330 R331 D332	M324-Q328 PolarHBondContact O-N 2.92Å; K325-Q328 WeakPolarHBondContact O-CB 3.27Å; K325-Q328 PolarHBondContact O-N 3.3Å; K325-Q328 VanDerWaalsContact O-N 3.15Å; I326-Q328 VanDerWaalsContact C-N 3.34Å; I326-Q328 PolarHBondContact O-N 3.39Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.85Å; Q328-R331 WeakPolarHBondContact O-CB 3.47Å; Q328-R331 PolarHBondContact O-N 3.07Å; Q328-R331 VanDerWaalsContact O-N 3.13Å; Q328-D332 PolarHBondContact NE2-OD1 2.98Å; Q328-D332 WeakPolarHBondContact O-CB 3.45Å; Q328-D332 PolarHBondContact O-N 2.77Å
329	E	81.3	Confident	71	Confident	104 Å²	104	87.8 Å²	87.8	49%	0.486	46%	0.458	S	S	.	.	H	α-helix	trans	-60.4	-39.3	175.3	-70.5	171.5	178.4	0	0	112.1	K325 I326 D332 Y333	K325-E329 WeakPolarHBondContact CE-OE1 3.48Å; K325-E329 IonicContact NZ-OE1 3.39Å; K325-E329 WeakPolarHBondContact O-CG 2.98Å; K325-E329 PolarHBondContact O-N 2.88Å; I326-E329 PolarHBondContact O-N 2.86Å; E329-D332 PolarHBondContact O-N 3.32Å; E329-Y333 VanDerWaalsContact O-CB 3.23Å; E329-Y333 WeakPolarHBondContact O-CB 3.3Å; E329-Y333 PolarHBondContact O-N 2.9Å
330	V	73.7	Confident	69.2	Low	88 Å²	88	92.8 Å²	92.8	53%	0.533	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-40.6	173.9	170.4	0	0	0	0	111.2	I326 S327 Q328 Y333 A334	I326-V330 HydrophobicContact CG2-CG2 4.37Å; I326-V330 WeakPolarHBondContact O-CB 3.38Å; I326-V330 VanDerWaalsContact O-CG2 3.28Å; I326-V330 WeakPolarHBondContact O-CG2 3.38Å; I326-V330 PolarHBondContact O-N 3.41Å; S327-V330 PolarHBondContact O-N 3.36Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.85Å; V330-Y333 PolarHBondContact O-N 3.49Å; V330-A334 VanDerWaalsContact O-CB 3.23Å; V330-A334 WeakPolarHBondContact O-CB 3.35Å; V330-A334 PolarHBondContact O-N 3.18Å
331	R	76.4	Confident	67.6	Low	151 Å²	151	91.5 Å²	91.5	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-63.9	-42.1	174.9	-76.7	178.2	-177.4	-173.9	3.4	111.4	F278 S327 Q328 A334 A335	F278-R331 VanDerWaalsContact CE1-NH1 3.31Å; S327-R331 WeakPolarHBondContact O-CB 3.46Å; S327-R331 WeakPolarHBondContact O-CG 3.26Å; S327-R331 PolarHBondContact O-N 3.17Å; Q328-R331 WeakPolarHBondContact O-CB 3.47Å; Q328-R331 PolarHBondContact O-N 3.07Å; Q328-R331 VanDerWaalsContact O-N 3.13Å; R331-A334 PolarHBondContact O-N 3.39Å; R331-A335 VanDerWaalsContact O-CB 3.29Å; R331-A335 WeakPolarHBondContact O-CB 3.39Å; R331-A335 PolarHBondContact O-N 2.94Å
332	D	75.4	Confident	66	Low	84 Å²	84	85.2 Å²	85.2	45%	0.449	45%	0.454	S	S	.	.	H	α-helix	trans	-68.8	-38.8	177.9	-62.6	-15.6	0	0	0	111.3	Q328 E329 A335 T336	Q328-D332 PolarHBondContact NE2-OD1 2.98Å; Q328-D332 WeakPolarHBondContact O-CB 3.45Å; Q328-D332 PolarHBondContact O-N 2.77Å; E329-D332 PolarHBondContact O-N 3.32Å; D332-A335 PolarHBondContact O-N 3.01Å; D332-T336 WeakPolarHBondContact O-CG2 3.13Å; D332-T336 PolarHBondContact O-N 2.92Å; D332-T336 PolarHBondContact O-OG1 3.47Å
333	Y	67.6	Low	64.2	Low	137 Å²	137	90.6 Å²	90.6	54%	0.537	48%	0.479	S	S	.	.	H	α-helix	trans	-66.5	-44.1	173.3	-178.9	-100.2	0	0	0	112.4	E329 V330 A335 T336 Q337	E329-Y333 VanDerWaalsContact O-CB 3.23Å; E329-Y333 WeakPolarHBondContact O-CB 3.3Å; E329-Y333 PolarHBondContact O-N 2.9Å; V330-Y333 PolarHBondContact O-N 3.49Å; Y333-A335 VanDerWaalsContact C-N 3.33Å; Y333-A335 PolarHBondContact O-N 3.5Å; Y333-T336 VanDerWaalsContact CA-OG1 3.31Å; Y333-T336 WeakPolarHBondContact CA-OG1 3.34Å; Y333-T336 PolarHBondContact O-N 2.9Å; Y333-T336 VanDerWaalsContact O-N 3.17Å; Y333-T336 PolarHBondContact O-OG1 3.48Å; Y333-Q337 HydrophobicContact CD1-CG 4.26Å; Y333-Q337 HydrophobicContact CD2-CG 4.31Å; Y333-Q337 VanDerWaalsContact CE1-CD 3.46Å; Y333-Q337 HydrophobicContact CE1-CG 3.85Å; Y333-Q337 HydrophobicContact CE2-CG 3.9Å; Y333-Q337 PolarHBondContact O-N 2.81Å; Y333-Q337 PolarHBondContact OH-NE2 3.05Å; Y333-Q337 PolarHBondContact OH-OE1 3.12Å
334	A	60.4	Low	62.9	Low	42 Å²	42	89.6 Å²	89.6	35%	0.347	48%	0.476	S	S	.	.	H	α-helix	trans	-62.3	-42.1	173.4	0	0	0	0	0	110.6	V330 R331 T336 Q337 T338	V330-A334 VanDerWaalsContact O-CB 3.23Å; V330-A334 WeakPolarHBondContact O-CB 3.35Å; V330-A334 PolarHBondContact O-N 3.18Å; R331-A334 PolarHBondContact O-N 3.39Å; A334-T336 PolarHBondContact O-N 3.32Å; A334-Q337 PolarHBondContact O-N 3.4Å; A334-T338 VanDerWaalsContact O-CB 3.31Å; A334-T338 WeakPolarHBondContact O-CB 3.31Å; A334-T338 PolarHBondContact O-N 2.77Å; A334-T338 VanDerWaalsContact O-N 3.11Å; A334-T338 PolarHBondContact O-OG1 3.06Å
335	A	60	Low	61.1	Low	59 Å²	59	92 Å²	92	49%	0.488	49%	0.49	S	S	.	.	H	α-helix	trans	-61.3	-30.2	175.4	0	0	0	0	0	112.8	R331 D332 Y333 I339	R331-A335 VanDerWaalsContact O-CB 3.29Å; R331-A335 WeakPolarHBondContact O-CB 3.39Å; R331-A335 PolarHBondContact O-N 2.94Å; D332-A335 PolarHBondContact O-N 3.01Å; Y333-A335 VanDerWaalsContact C-N 3.33Å; Y333-A335 PolarHBondContact O-N 3.5Å; A335-I339 WeakPolarHBondContact O-CD1 3.49Å
336	T	51.7	Low	59.3	Low	101 Å²	101	96 Å²	96	62%	0.62	51%	0.511	S	S	*	.	H	α-helix	trans	-87.7	-34.4	179	45.3	0	0	0	0	114.1	D332 Y333 A334	D332-T336 WeakPolarHBondContact O-CG2 3.13Å; D332-T336 PolarHBondContact O-N 2.92Å; D332-T336 PolarHBondContact O-OG1 3.47Å; Y333-T336 VanDerWaalsContact CA-OG1 3.31Å; Y333-T336 WeakPolarHBondContact CA-OG1 3.34Å; Y333-T336 PolarHBondContact O-N 2.9Å; Y333-T336 VanDerWaalsContact O-N 3.17Å; Y333-T336 PolarHBondContact O-OG1 3.48Å; A334-T336 PolarHBondContact O-N 3.32Å
337	Q	43.1	Very low	58.1	Low	103 Å²	103	94.9 Å²	94.9	48%	0.481	51%	0.509	S	S	.	.	H	α-helix	trans	-81.8	-27.1	179.3	-75.5	-144.1	-30.3	0	0	114.6	Y333 A334 I339	Y333-Q337 HydrophobicContact CD1-CG 4.26Å; Y333-Q337 HydrophobicContact CD2-CG 4.31Å; Y333-Q337 VanDerWaalsContact CE1-CD 3.46Å; Y333-Q337 HydrophobicContact CE1-CG 3.85Å; Y333-Q337 HydrophobicContact CE2-CG 3.9Å; Y333-Q337 PolarHBondContact O-N 2.81Å; Y333-Q337 PolarHBondContact OH-NE2 3.05Å; Y333-Q337 PolarHBondContact OH-OE1 3.12Å; A334-Q337 PolarHBondContact O-N 3.4Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 2.8Å
338	T	42.1	Very low	57.1	Low	93 Å²	93	98.5 Å²	98.5	57%	0.571	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.9	-169	-39.4	0	0	0	0	113.3	A334	A334-T338 VanDerWaalsContact O-CB 3.31Å; A334-T338 WeakPolarHBondContact O-CB 3.31Å; A334-T338 PolarHBondContact O-N 2.77Å; A334-T338 VanDerWaalsContact O-N 3.11Å; A334-T338 PolarHBondContact O-OG1 3.06Å
339	I	39.7	Very low	55.7	Low	110 Å²	110	99.6 Å²	99.6	56%	0.564	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-38.2	-176.1	-57.4	179.5	0	0	0	112.3	A335 Q337 M343	A335-I339 WeakPolarHBondContact O-CD1 3.49Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 2.8Å; I339-M343 HydrophobicContact CG2-SD 4.12Å; I339-M343 WeakPolarHBondContact O-CB 3.46Å; I339-M343 WeakPolarHBondContact O-CG 3.41Å; I339-M343 VanDerWaalsContact O-SD 3.37Å
340	E	41.8	Very low	54.5	Low	170 Å²	170	98.7 Å²	98.7	79%	0.794	52%	0.523	S	S	*	.	H	α-helix	trans	-91.6	-45.7	-173.5	-75.4	-172.8	155.5	0	0	114.8
341	M	42.6	Very low	54.2	Low	144 Å²	144	103.4 Å²	103.4	71%	0.709	53%	0.531	S	S	*	.	H	α-helix	trans	-82	-36.8	178.6	-89.6	168.1	53.2	0	0	112.6	M343 A344 D345	M341-M343 PolarHBondContact O-N 3.02Å; M341-A344 PolarHBondContact O-N 3.41Å; M341-D345 PolarHBondContact O-N 3.13Å
342	G	42.3	Very low	53.3	Low	26 Å²	26	100.1 Å²	100.1	27%	0.268	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-33.4	178.8	0	0	0	0	0	113.5	M346	G342-M346 WeakPolarHBondContact O-CB 3.35Å; G342-M346 WeakPolarHBondContact O-CG 3.13Å; G342-M346 PolarHBondContact O-N 3.03Å
343	M	49	Very low	51.8	Low	121 Å²	121	105.8 Å²	105.8	60%	0.596	55%	0.552	S	S	*	*	H	α-helix	trans	-74	-29.3	176.9	-73.9	-173.8	73.1	0	0	113.2	I339 M341 S347	I339-M343 HydrophobicContact CG2-SD 4.12Å; I339-M343 WeakPolarHBondContact O-CB 3.46Å; I339-M343 WeakPolarHBondContact O-CG 3.41Å; I339-M343 VanDerWaalsContact O-SD 3.37Å; M341-M343 PolarHBondContact O-N 3.02Å; M343-S347 WeakPolarHBondContact O-CB 3.27Å; M343-S347 PolarHBondContact O-N 3.06Å; M343-S347 PolarHBondContact O-OG 3.1Å
344	A	54.3	Low	50.6	Low	57 Å²	57	102.4 Å²	102.4	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-71.9	-50.6	175.9	0	0	0	0	0	111.1	M341 M346 S347 E348	M341-A344 PolarHBondContact O-N 3.41Å; A344-M346 PolarHBondContact O-N 3.28Å; A344-S347 WeakPolarHBondContact O-CB 3.32Å; A344-S347 PolarHBondContact O-N 3.03Å; A344-E348 WeakPolarHBondContact O-CB 3.46Å; A344-E348 PolarHBondContact O-N 3.31Å
345	D	51.9	Low	49.8	Very low	97 Å²	97	102.3 Å²	102.3	52%	0.519	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-36	177.4	-78.5	-8.5	0	0	0	112.3	M341 E348 N349	M341-D345 PolarHBondContact O-N 3.13Å; D345-E348 PolarHBondContact O-N 3.22Å; D345-N349 VanDerWaalsContact O-CB 3.29Å; D345-N349 WeakPolarHBondContact O-CB 3.49Å; D345-N349 PolarHBondContact O-N 2.93Å; D345-N349 PolarHBondContact O-ND2 3Å
346	M	46.4	Very low	48.7	Very low	140 Å²	140	105.5 Å²	105.5	69%	0.69	57%	0.566	S	S	*	*	H	α-helix	trans	-70.2	-36.1	172.5	-76	-73.8	175.1	0	0	111.8	G342 A344 E348 F350	G342-M346 WeakPolarHBondContact O-CB 3.35Å; G342-M346 WeakPolarHBondContact O-CG 3.13Å; G342-M346 PolarHBondContact O-N 3.03Å; A344-M346 PolarHBondContact O-N 3.28Å; M346-E348 VanDerWaalsContact C-N 3.34Å; M346-F350 WeakPolarHBondContact O-CA 3.44Å; M346-F350 WeakPolarHBondContact O-CB 3.48Å; M346-F350 PolarHBondContact O-N 3.06Å
347	S	56.5	Low	48.1	Very low	47 Å²	47	105.2 Å²	105.2	33%	0.329	56%	0.56	S	S	.	*	H	α-helix	trans	-65.7	-38.1	173.1	-71.4	0	0	0	0	111.9	M343 A344 R351	M343-S347 WeakPolarHBondContact O-CB 3.27Å; M343-S347 PolarHBondContact O-N 3.06Å; M343-S347 PolarHBondContact O-OG 3.1Å; A344-S347 WeakPolarHBondContact O-CB 3.32Å; A344-S347 PolarHBondContact O-N 3.03Å; S347-R351 WeakPolarHBondContact O-CB 2.86Å; S347-R351 VanDerWaalsContact O-CG 3.28Å; S347-R351 WeakPolarHBondContact O-CG 3.4Å; S347-R351 PolarHBondContact O-N 3.36Å
348	E	61.6	Low	47.6	Very low	130 Å²	130	109.7 Å²	109.7	61%	0.607	57%	0.574	S	S	*	*	H	α-helix	trans	-73.3	-44.4	179.2	-145.5	169.5	-149.4	0	0	111.3	A344 D345 M346 F350 R351 A352	A344-E348 WeakPolarHBondContact O-CB 3.46Å; A344-E348 PolarHBondContact O-N 3.31Å; D345-E348 PolarHBondContact O-N 3.22Å; M346-E348 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 2.88Å; E348-R351 PolarHBondContact O-N 3.32Å; E348-A352 VanDerWaalsContact O-CB 3.23Å; E348-A352 WeakPolarHBondContact O-CB 3.23Å; E348-A352 PolarHBondContact O-N 2.97Å
349	N	53	Low	47.5	Very low	88 Å²	88	108.8 Å²	108.8	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-37.9	171.7	-90.6	-56.5	0	0	0	112.9	D345 A352 R353	D345-N349 VanDerWaalsContact O-CB 3.29Å; D345-N349 WeakPolarHBondContact O-CB 3.49Å; D345-N349 PolarHBondContact O-N 2.93Å; D345-N349 PolarHBondContact O-ND2 3Å; N349-A352 PolarHBondContact O-N 3.3Å; N349-R353 WeakPolarHBondContact O-CB 3.32Å; N349-R353 WeakPolarHBondContact O-CG 3.29Å; N349-R353 PolarHBondContact O-N 3.2Å
350	F	54.5	Low	48.2	Very low	84 Å²	84	111.3 Å²	111.3	37%	0.368	57%	0.568	S	S	.	*	H	α-helix	trans	-65.3	-42.1	177.1	179.1	-121.3	0	0	0	111.7	M346 E348 G355 I357	M346-F350 WeakPolarHBondContact O-CA 3.44Å; M346-F350 WeakPolarHBondContact O-CB 3.48Å; M346-F350 PolarHBondContact O-N 3.06Å; E348-F350 PolarHBondContact O-N 2.88Å; F350-G355 WeakPolarHBondContact CE2-O 3.49Å; F350-G355 VanDerWaalsContact CZ-C 3.41Å; F350-G355 WeakPolarHBondContact CZ-O 3.31Å; F350-G355 WeakPolarHBondContact O-CA 3.48Å; F350-G355 PolarHBondContact O-N 3.48Å; F350-I357 HydrophobicContact CD2-CG1 4.15Å; F350-I357 HydrophobicContact CE1-CD1 4.44Å; F350-I357 HydrophobicContact CE2-CD1 3.81Å; F350-I357 HydrophobicContact CE2-CG1 3.29Å; F350-I357 HydrophobicContact CZ-CD1 3.67Å; F350-I357 HydrophobicContact CZ-CG1 3.63Å
351	R	67.4	Low	49.3	Very low	187 Å²	187	108.4 Å²	108.4	71%	0.706	56%	0.557	S	S	*	*	H	α-helix	trans	-68.9	-39.2	172.7	-70.5	178	-150.8	143.6	5.7	112.3	S347 E348 R353 G354	S347-R351 WeakPolarHBondContact O-CB 2.86Å; S347-R351 VanDerWaalsContact O-CG 3.28Å; S347-R351 WeakPolarHBondContact O-CG 3.4Å; S347-R351 PolarHBondContact O-N 3.36Å; E348-R351 PolarHBondContact O-N 3.32Å; R351-R353 VanDerWaalsContact C-N 3.28Å; R351-R353 PolarHBondContact O-N 3.22Å; R351-G354 PolarHBondContact O-N 2.79Å
352	A	57.6	Low	50.9	Low	83 Å²	83	103.5 Å²	103.5	69%	0.686	53%	0.531	S	S	*	.	H	α-helix	trans	-67.4	-27.3	178.6	0	0	0	0	0	113	E348 N349 G354	E348-A352 VanDerWaalsContact O-CB 3.23Å; E348-A352 WeakPolarHBondContact O-CB 3.23Å; E348-A352 PolarHBondContact O-N 2.97Å; N349-A352 PolarHBondContact O-N 3.3Å; A352-G354 VanDerWaalsContact C-N 3.33Å
353	R	45.3	Very low	52.8	Low	203 Å²	203	103.9 Å²	103.9	77%	0.766	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	19.3	174.3	-68.6	-178.3	177.7	-170.4	-0.8	114	N349 R351 G355	N349-R353 WeakPolarHBondContact O-CB 3.32Å; N349-R353 WeakPolarHBondContact O-CG 3.29Å; N349-R353 PolarHBondContact O-N 3.2Å; R351-R353 VanDerWaalsContact C-N 3.28Å; R351-R353 PolarHBondContact O-N 3.22Å; R353-G355 PolarHBondContact O-N 3.2Å
354	G	42.6	Very low	54.6	Low	66 Å²	66	101.4 Å²	101.4	68%	0.68	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	12.3	173.5	0	0	0	0	0	115.4	R351 A352 E356	R351-G354 PolarHBondContact O-N 2.79Å; A352-G354 VanDerWaalsContact C-N 3.33Å; G354-E356 VanDerWaalsContact C-N 3.31Å; G354-E356 PolarHBondContact O-N 3.3Å
355	G	42.2	Very low	56.3	Low	39 Å²	39	99.6 Å²	99.6	40%	0.402	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	19.9	175.2	0	0	0	0	0	115.1	F350 R353	F350-G355 WeakPolarHBondContact CE2-O 3.49Å; F350-G355 VanDerWaalsContact CZ-C 3.41Å; F350-G355 WeakPolarHBondContact CZ-O 3.31Å; F350-G355 WeakPolarHBondContact O-CA 3.48Å; F350-G355 PolarHBondContact O-N 3.48Å; R353-G355 PolarHBondContact O-N 3.2Å
356	E	37	Very low	58	Low	126 Å²	126	100 Å²	100	59%	0.589	51%	0.505	S	S	*	.			trans	-92.2	121.2	179.6	-70.7	-166	160.9	0	0	112.9	G354 Y358	G354-E356 VanDerWaalsContact C-N 3.31Å; G354-E356 PolarHBondContact O-N 3.3Å; E356-Y358 PolarHBondContact OE2-OH 2.93Å; E356-Y358 VanDerWaalsContact OE2-OH 3.11Å
357	I	38.7	Very low	60.1	Low	96 Å²	96	94.5 Å²	94.5	49%	0.492	48%	0.481	S	S	.	.			trans	-109.5	111.4	168.4	-62.4	170.1	0	0	0	107	F350 L359	F350-I357 HydrophobicContact CD2-CG1 4.15Å; F350-I357 HydrophobicContact CE1-CD1 4.44Å; F350-I357 HydrophobicContact CE2-CD1 3.81Å; F350-I357 HydrophobicContact CE2-CG1 3.29Å; F350-I357 HydrophobicContact CZ-CD1 3.67Å; F350-I357 HydrophobicContact CZ-CG1 3.63Å; I357-L359 VanDerWaalsContact C-N 3.32Å; I357-L359 PolarHBondContact O-N 2.84Å
358	Y	34.1	Very low	61.8	Low	197 Å²	197	93 Å²	93	77%	0.773	47%	0.47	S	S	*	.			trans	-69.3	81.6	178.9	-71.2	-88.8	0	0	0	112	E356	E356-Y358 PolarHBondContact OE2-OH 2.93Å; E356-Y358 VanDerWaalsContact OE2-OH 3.11Å
359	L	39.1	Very low	63.3	Low	74 Å²	74	92.8 Å²	92.8	39%	0.387	47%	0.468	S	S	.	.			trans	-93.8	114.1	157.8	-94.9	161	0	0	0	108.9	I357 L361 Q522	I357-L359 VanDerWaalsContact C-N 3.32Å; I357-L359 PolarHBondContact O-N 2.84Å; L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 3.49Å; L359-Q522 HydrophobicContact CD1-CG 3.75Å; L359-Q522 VanDerWaalsContact CD1-OE1 3.32Å; L359-Q522 HydrophobicContact CD2-CG 4.05Å; L359-Q522 HydrophobicContact CG-CG 4.07Å
360	R	54.7	Low	65.2	Low	163 Å²	163	93.9 Å²	93.9	62%	0.615	47%	0.466	S	S	*	.			trans	-81.9	78	170.6	-68.8	-175.4	-177.4	-175.5	-0.1	110	L534	R360-L534 PolarHBondContact NH1-O 3.35Å; R360-L534 VanDerWaalsContact NH1-O 3.15Å
361	L	64.7	Low	67	Low	108 Å²	108	89.9 Å²	89.9	57%	0.565	45%	0.449	S	S	*	.			trans	-64	131.9	164.1	-68.3	168.8	0	0	0	108.7	L359 I513 A518	L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 3.49Å; L361-I513 HydrophobicContact CD2-CG2 4.31Å; L361-A518 HydrophobicContact CD1-CB 4.38Å
362	Y	75.5	Confident	68.2	Low	42 Å²	42	85 Å²	85	17%	0.165	43%	0.434	C	S	.	.			trans	-115.3	123.2	169.5	87.7	-90.7	0	0	0	109.5	V364 T381 Q383 Y471 V508	Y362-V364 HydrophobicContact CE2-CG2 4.22Å; Y362-T381 VanDerWaalsContact CB-O 3.31Å; Y362-T381 WeakPolarHBondContact CB-O 2.86Å; Y362-T381 HydrophobicContact CD2-CG2 4.19Å; Y362-T381 HydrophobicContact CG-CG2 3.97Å; Y362-Q383 HydrophobicContact CD2-CB 4.49Å; Y362-Q383 HydrophobicContact CE2-CB 3.95Å; Y362-Q383 PolarHBondContact OH-OE1 3.03Å; Y362-Y471 PolarHBondContact OH-OH 3.47Å; Y362-V508 HydrophobicContact CE1-CB 4.14Å; Y362-V508 HydrophobicContact CE1-CG1 4.08Å; Y362-V508 HydrophobicContact CE1-CG2 4.07Å
363	P	84	Confident	69.8	Low	34 Å²	34	88.3 Å²	88.3	22%	0.221	43%	0.429	C	S	.	.			trans	-78.1	142.6	-176	28.9	-34.2	0	0	0	112.5	V365 L374 V379 T381 L382 Q383	P363-V365 HydrophobicContact CB-CG1 4.28Å; P363-L374 HydrophobicContact CB-CD1 3.82Å; P363-L374 HydrophobicContact CG-CD1 3.58Å; P363-L374 HydrophobicContact CG-CD2 4.26Å; P363-L374 HydrophobicContact CG-CG 4.36Å; P363-V379 VanDerWaalsContact CD-CG1 3.48Å; P363-V379 HydrophobicContact CG-CG1 3.8Å; P363-T381 WeakPolarHBondContact CD-O 3.44Å; P363-L382 HydrophobicContact CG-CD2 4.07Å; P363-L382 HydrophobicContact CG-CG 4.2Å; P363-L382 WeakPolarHBondContact O-CA 3.24Å; P363-Q383 PolarHBondContact O-N 2.94Å
364	V	86.8	Confident	71.9	Confident	69 Å²	69	80.3 Å²	80.3	42%	0.418	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.3	168.8	-173.9	0	0	0	0	107.7	Y362 Q383 R385	Y362-V364 HydrophobicContact CE2-CG2 4.22Å; V364-Q383 WeakPolarHBondContact CA-O 3.37Å; V364-Q383 HydrophobicContact CB-CB 4.46Å; V364-Q383 HydrophobicContact CG1-CB 4.25Å; V364-Q383 HydrophobicContact CG1-CG 4.19Å; V364-Q383 HydrophobicContact CG2-CB 4.16Å; V364-R385 HydrophobicContact CG1-CB 3.71Å; V364-R385 HydrophobicContact CG1-CG 4.46Å
365	V	88.6	Confident	74.1	Confident	18 Å²	18	77.2 Å²	77.2	11%	0.109	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.2	-173	-59.7	0	0	0	0	112.1	P363 W370 I371 L374 Q383 L384 R385	P363-V365 HydrophobicContact CB-CG1 4.28Å; V365-W370 HydrophobicContact CB-CB 3.69Å; V365-W370 HydrophobicContact CB-CG 4.38Å; V365-W370 HydrophobicContact CG1-CB 3.92Å; V365-W370 HydrophobicContact CG1-CG 4.43Å; V365-W370 HydrophobicContact CG2-CB 3.9Å; V365-I371 HydrophobicContact CG2-CD1 3.26Å; V365-I371 HydrophobicContact CG2-CG1 3.62Å; V365-L374 HydrophobicContact CG1-CD1 3.51Å; V365-Q383 PolarHBondContact N-O 3.49Å; V365-L384 CarbonylContact O-C 3.58Å; V365-L384 WeakPolarHBondContact O-CA 3.34Å; V365-R385 PolarHBondContact O-N 2.87Å
366	D	88.6	Confident	76.2	Confident	105 Å²	105	80.3 Å²	80.3	56%	0.561	38%	0.376	S	S	*	.	S	Bend	trans	-98.6	-0.1	-169.9	59.8	6.7	0	0	0	114.9	R385 I386	D366-R385 WeakPolarHBondContact CA-O 3.23Å; D366-I386 WeakPolarHBondContact O-CG1 3.25Å
367	S	90.7	Very high	78.5	Confident	26 Å²	26	78.1 Å²	78.1	18%	0.182	38%	0.38	C	S	.	.	S	Bend	trans	-155.6	151.8	-170.7	53	0	0	0	0	113	Q369 W370 I371	S367-Q369 VanDerWaalsContact C-N 3.26Å; S367-Q369 PolarHBondContact O-N 3.36Å; S367-W370 PolarHBondContact O-N 3.44Å; S367-I371 PolarHBondContact O-N 2.8Å
368	V	91.7	Very high	80.5	Confident	16 Å²	16	75.6 Å²	75.6	10%	0.097	38%	0.377	C	S	.	.	H	α-helix	trans	-63.1	-33.5	179.8	-173.6	0	0	0	0	111.5	W370 I371 E372 D397 A400 A401 L404	V368-W370 VanDerWaalsContact C-N 3.29Å; V368-W370 PolarHBondContact O-N 2.94Å; V368-I371 WeakPolarHBondContact O-CB 3.12Å; V368-I371 PolarHBondContact O-N 2.85Å; V368-I371 VanDerWaalsContact O-N 3.14Å; V368-E372 PolarHBondContact O-N 3.31Å; V368-D397 HydrophobicContact CG2-CB 3.77Å; V368-D397 WeakPolarHBondContact CG2-O 3.39Å; V368-A400 HydrophobicContact CG1-CB 3.91Å; V368-A400 HydrophobicContact CG2-CB 4.38Å; V368-A401 HydrophobicContact CG2-CB 4.32Å; V368-L404 HydrophobicContact CG1-CD1 3.58Å
369	Q	92.6	Very high	82.8	Confident	125 Å²	125	68 Å²	68	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-62.3	-36.4	177.4	-62.6	84	-1	0	0	112	S367 R373	S367-Q369 VanDerWaalsContact C-N 3.26Å; S367-Q369 PolarHBondContact O-N 3.36Å; Q369-R373 VanDerWaalsContact O-CG 3.24Å; Q369-R373 WeakPolarHBondContact O-CG 3.35Å; Q369-R373 PolarHBondContact O-N 2.9Å; Q369-R373 VanDerWaalsContact O-N 3.17Å
370	W	93.2	Very high	85.1	Confident	110 Å²	110	68.6 Å²	68.6	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-71.3	-37.6	174.3	-89.5	120.3	0	0	0	112.1	V365 S367 V368 R373 L374	V365-W370 HydrophobicContact CB-CB 3.69Å; V365-W370 HydrophobicContact CB-CG 4.38Å; V365-W370 HydrophobicContact CG1-CB 3.92Å; V365-W370 HydrophobicContact CG1-CG 4.43Å; V365-W370 HydrophobicContact CG2-CB 3.9Å; S367-W370 PolarHBondContact O-N 3.44Å; V368-W370 VanDerWaalsContact C-N 3.29Å; V368-W370 PolarHBondContact O-N 2.94Å; W370-R373 PolarHBondContact O-N 2.97Å; W370-L374 HydrophobicContact CE3-CD1 4.49Å; W370-L374 HydrophobicContact CE3-CG 4.47Å; W370-L374 WeakPolarHBondContact O-CB 3.48Å; W370-L374 WeakPolarHBondContact O-CD1 3.33Å; W370-L374 VanDerWaalsContact O-CG 3.28Å; W370-L374 WeakPolarHBondContact O-CG 3.34Å; W370-L374 PolarHBondContact O-N 3.11Å
371	I	92.1	Very high	86.6	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-51.4	173.8	-66.1	-65.1	0	0	0	110.1	V365 S367 V368 R373 L374 L375 L382 L384 L404 L412	V365-I371 HydrophobicContact CG2-CD1 3.26Å; V365-I371 HydrophobicContact CG2-CG1 3.62Å; S367-I371 PolarHBondContact O-N 2.8Å; V368-I371 WeakPolarHBondContact O-CB 3.12Å; V368-I371 PolarHBondContact O-N 2.85Å; V368-I371 VanDerWaalsContact O-N 3.14Å; I371-R373 PolarHBondContact O-N 3.47Å; I371-L374 PolarHBondContact O-N 2.96Å; I371-L375 HydrophobicContact CG2-CD1 3.56Å; I371-L375 HydrophobicContact CG2-CG 4.16Å; I371-L375 WeakPolarHBondContact O-CB 3.43Å; I371-L375 WeakPolarHBondContact O-CG 2.98Å; I371-L375 PolarHBondContact O-N 3.5Å; I371-L382 HydrophobicContact CD1-CB 3.73Å; I371-L382 HydrophobicContact CD1-CD2 3.94Å; I371-L382 HydrophobicContact CD1-CG 4.41Å; I371-L384 HydrophobicContact CG1-CD1 4.21Å; I371-L404 HydrophobicContact CG2-CB 4.28Å; I371-L404 HydrophobicContact CG2-CD1 4.17Å; I371-L412 HydrophobicContact CD1-CD1 3.59Å; I371-L412 HydrophobicContact CG1-CD1 4.34Å; I371-L412 HydrophobicContact CG2-CD1 4.47Å
372	E	92.5	Very high	87.9	Confident	84 Å²	84	57.7 Å²	57.7	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-57	-49.6	178.6	-170.5	171.1	-141.4	0	0	112	V368 L374 L375 D376 L404	V368-E372 PolarHBondContact O-N 3.31Å; E372-L374 VanDerWaalsContact C-N 3.31Å; E372-L374 PolarHBondContact O-N 2.86Å; E372-L375 PolarHBondContact O-N 2.82Å; E372-D376 PolarHBondContact O-N 3.26Å; E372-L404 HydrophobicContact CB-CD1 3.88Å; E372-L404 HydrophobicContact CG-CD1 4.48Å; E372-L404 HydrophobicContact CG-CD2 4.27Å
373	R	91.4	Very high	88.7	Confident	153 Å²	153	56 Å²	56	58%	0.577	30%	0.297	S	S	*	.	H	α-helix	trans	-59.9	-38.1	179.3	-71.9	174.7	72.2	-173.3	3.3	113.5	Q369 W370 I371 A377	Q369-R373 VanDerWaalsContact O-CG 3.24Å; Q369-R373 WeakPolarHBondContact O-CG 3.35Å; Q369-R373 PolarHBondContact O-N 2.9Å; Q369-R373 VanDerWaalsContact O-N 3.17Å; W370-R373 PolarHBondContact O-N 2.97Å; I371-R373 PolarHBondContact O-N 3.47Å; R373-A377 WeakPolarHBondContact O-CB 3.41Å; R373-A377 PolarHBondContact O-N 2.54Å; R373-A377 VanDerWaalsContact O-N 3.16Å
374	L	89.4	Confident	89.1	Confident	34 Å²	34	54.5 Å²	54.5	18%	0.178	29%	0.288	C	S	.	.	H	α-helix	trans	-77.9	-36.5	-179.3	-71.8	163.6	0	0	0	111.7	P363 V365 W370 I371 E372 D376 A377 G378 V379 L382	P363-L374 HydrophobicContact CB-CD1 3.82Å; P363-L374 HydrophobicContact CG-CD1 3.58Å; P363-L374 HydrophobicContact CG-CD2 4.26Å; P363-L374 HydrophobicContact CG-CG 4.36Å; V365-L374 HydrophobicContact CG1-CD1 3.51Å; W370-L374 HydrophobicContact CE3-CD1 4.49Å; W370-L374 HydrophobicContact CE3-CG 4.47Å; W370-L374 WeakPolarHBondContact O-CB 3.48Å; W370-L374 WeakPolarHBondContact O-CD1 3.33Å; W370-L374 VanDerWaalsContact O-CG 3.28Å; W370-L374 WeakPolarHBondContact O-CG 3.34Å; W370-L374 PolarHBondContact O-N 3.11Å; I371-L374 PolarHBondContact O-N 2.96Å; E372-L374 VanDerWaalsContact C-N 3.31Å; E372-L374 PolarHBondContact O-N 2.86Å; L374-D376 VanDerWaalsContact C-N 3.35Å; L374-A377 CarbonylContact O-C 3.57Å; L374-A377 PolarHBondContact O-N 3.48Å; L374-G378 PolarHBondContact O-N 3.17Å; L374-V379 HydrophobicContact CB-CB 4.2Å; L374-V379 HydrophobicContact CB-CG2 4.17Å; L374-V379 HydrophobicContact CD2-CG2 4.16Å; L374-V379 VanDerWaalsContact O-CB 3.26Å; L374-V379 WeakPolarHBondContact O-CB 3.38Å; L374-V379 WeakPolarHBondContact O-CG2 2.79Å; L374-V379 PolarHBondContact O-N 3.49Å; L374-L382 HydrophobicContact CB-CD2 3.44Å; L374-L382 VanDerWaalsContact CB-CD2 3.44Å; L374-L382 HydrophobicContact CD1-CD2 4.02Å; L374-L382 HydrophobicContact CG-CD2 4.39Å
375	L	87.8	Confident	89.3	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-42.4	172.3	-72	173.5	0	0	0	111.5	I371 E372 A377 G378 V379 R380 L382 L404 Y408 A410	I371-L375 HydrophobicContact CG2-CD1 3.56Å; I371-L375 HydrophobicContact CG2-CG 4.16Å; I371-L375 WeakPolarHBondContact O-CB 3.43Å; I371-L375 WeakPolarHBondContact O-CG 2.98Å; I371-L375 PolarHBondContact O-N 3.5Å; E372-L375 PolarHBondContact O-N 2.82Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 2.86Å; L375-G378 PolarHBondContact O-N 3.41Å; L375-G378 VanDerWaalsContact O-N 3.09Å; L375-V379 WeakPolarHBondContact CD2-O 3.49Å; L375-R380 PolarHBondContact O-NH1 2.67Å; L375-L382 HydrophobicContact CD2-CD1 3.4Å; L375-L382 VanDerWaalsContact CD2-CD1 3.4Å; L375-L382 HydrophobicContact CG-CD1 4.06Å; L375-L382 HydrophobicContact CG-CD2 4.42Å; L375-L404 HydrophobicContact CD1-CB 3.7Å; L375-Y408 HydrophobicContact CB-CD1 3.76Å; L375-Y408 HydrophobicContact CB-CD2 4.11Å; L375-Y408 HydrophobicContact CB-CE1 4.04Å; L375-Y408 HydrophobicContact CB-CE2 4.4Å; L375-Y408 HydrophobicContact CB-CG 3.79Å; L375-Y408 HydrophobicContact CD1-CD2 3.88Å; L375-Y408 HydrophobicContact CD1-CE2 4.49Å; L375-Y408 HydrophobicContact CD1-CG 4.1Å; L375-Y408 HydrophobicContact CD2-CG 4.27Å; L375-Y408 HydrophobicContact CG-CG 4.29Å; L375-A410 HydrophobicContact CD2-CB 3.22Å
376	D	86.5	Confident	89.3	Confident	104 Å²	104	54 Å²	54	56%	0.556	28%	0.277	S	S	*	.	H	α-helix	trans	-62.9	-34.5	172.8	-79.2	-21	0	0	0	112.5	E372 L374 G378 Y408	E372-D376 PolarHBondContact O-N 3.26Å; L374-D376 VanDerWaalsContact C-N 3.35Å; D376-G378 PolarHBondContact O-N 3.05Å; D376-Y408 WeakPolarHBondContact OD1-CE1 3.31Å; D376-Y408 VanDerWaalsContact OD1-CZ 3.28Å; D376-Y408 PolarHBondContact OD1-OH 2.89Å
377	A	85.4	Confident	89	Confident	81 Å²	81	53.7 Å²	53.7	67%	0.669	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	2.8	175.2	0	0	0	0	0	114	R373 L374 L375	R373-A377 WeakPolarHBondContact O-CB 3.41Å; R373-A377 PolarHBondContact O-N 2.54Å; R373-A377 VanDerWaalsContact O-N 3.16Å; L374-A377 CarbonylContact O-C 3.57Å; L374-A377 PolarHBondContact O-N 3.48Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 2.86Å
378	G	81.4	Confident	88.5	Confident	42 Å²	42	60.2 Å²	60.2	43%	0.433	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	2.9	177	0	0	0	0	0	115.1	L374 L375 D376 R380	L374-G378 PolarHBondContact O-N 3.17Å; L375-G378 PolarHBondContact O-N 3.41Å; L375-G378 VanDerWaalsContact O-N 3.09Å; D376-G378 PolarHBondContact O-N 3.05Å; G378-R380 PolarHBondContact O-N 3.11Å
379	V	82	Confident	88.3	Confident	37 Å²	37	64.5 Å²	64.5	22%	0.224	32%	0.318	C	S	.	.			trans	-68.4	132.2	173.5	-175.4	0	0	0	0	108.7	P363 L374 L375 T381 L382	P363-V379 VanDerWaalsContact CD-CG1 3.48Å; P363-V379 HydrophobicContact CG-CG1 3.8Å; L374-V379 HydrophobicContact CB-CB 4.2Å; L374-V379 HydrophobicContact CB-CG2 4.17Å; L374-V379 HydrophobicContact CD2-CG2 4.16Å; L374-V379 VanDerWaalsContact O-CB 3.26Å; L374-V379 WeakPolarHBondContact O-CB 3.38Å; L374-V379 WeakPolarHBondContact O-CG2 2.79Å; L374-V379 PolarHBondContact O-N 3.49Å; L375-V379 WeakPolarHBondContact CD2-O 3.49Å; V379-T381 VanDerWaalsContact CG1-O 3.29Å; V379-T381 WeakPolarHBondContact CG1-O 3.38Å; V379-L382 HydrophobicContact CB-CD2 4.39Å; V379-L382 HydrophobicContact CG1-CD1 4.21Å; V379-L382 HydrophobicContact CG1-CD2 4.08Å; V379-L382 HydrophobicContact CG1-CG 3.79Å
380	R	86.8	Confident	88	Confident	88 Å²	88	65.5 Å²	65.5	33%	0.332	32%	0.317	S	S	.	.			trans	-119	-3.3	-177.2	-63.5	-67.3	174.8	-98.2	2	114.6	L375 G378 Y408 A410 R411	L375-R380 PolarHBondContact O-NH1 2.67Å; G378-R380 PolarHBondContact O-N 3.11Å; R380-Y408 WeakPolarHBondContact CD-O 3.41Å; R380-A410 CarbonylContact O-C 3.5Å; R380-A410 WeakPolarHBondContact O-CA 3.3Å; R380-A410 WeakPolarHBondContact O-CB 3.23Å; R380-R411 PolarHBondContact O-N 3.25Å
381	T	88	Confident	87.6	Confident	41 Å²	41	62.9 Å²	62.9	25%	0.252	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.1	171.6	-55	0	0	0	0	107.2	Y362 P363 V379 R411	Y362-T381 VanDerWaalsContact CB-O 3.31Å; Y362-T381 WeakPolarHBondContact CB-O 2.86Å; Y362-T381 HydrophobicContact CD2-CG2 4.19Å; Y362-T381 HydrophobicContact CG-CG2 3.97Å; P363-T381 WeakPolarHBondContact CD-O 3.44Å; V379-T381 VanDerWaalsContact CG1-O 3.29Å; V379-T381 WeakPolarHBondContact CG1-O 3.38Å; T381-R411 WeakPolarHBondContact CA-O 3.49Å; T381-R411 HydrophobicContact CG2-CB 4.08Å
382	L	90.4	Very high	87.5	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.5	-176.7	-48	91.6	0	0	0	109.8	P363 I371 L374 L375 V379 A410 R411 L412 F413	P363-L382 HydrophobicContact CG-CD2 4.07Å; P363-L382 HydrophobicContact CG-CG 4.2Å; P363-L382 WeakPolarHBondContact O-CA 3.24Å; I371-L382 HydrophobicContact CD1-CB 3.73Å; I371-L382 HydrophobicContact CD1-CD2 3.94Å; I371-L382 HydrophobicContact CD1-CG 4.41Å; L374-L382 HydrophobicContact CB-CD2 3.44Å; L374-L382 VanDerWaalsContact CB-CD2 3.44Å; L374-L382 HydrophobicContact CD1-CD2 4.02Å; L374-L382 HydrophobicContact CG-CD2 4.39Å; L375-L382 HydrophobicContact CD2-CD1 3.4Å; L375-L382 VanDerWaalsContact CD2-CD1 3.4Å; L375-L382 HydrophobicContact CG-CD1 4.06Å; L375-L382 HydrophobicContact CG-CD2 4.42Å; V379-L382 HydrophobicContact CB-CD2 4.39Å; V379-L382 HydrophobicContact CG1-CD1 4.21Å; V379-L382 HydrophobicContact CG1-CD2 4.08Å; V379-L382 HydrophobicContact CG1-CG 3.79Å; L382-A410 HydrophobicContact CD1-CB 4.12Å; L382-R411 PolarHBondContact N-O 2.9Å; L382-L412 HydrophobicContact CB-CD1 4.11Å; L382-L412 WeakPolarHBondContact O-CA 3.43Å; L382-F413 PolarHBondContact O-N 3.24Å
383	Q	91.8	Very high	87.3	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.028	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125	172.7	-179.5	-179	-3.4	0	0	110.4	Y362 P363 V364 V365 F413 N415 H430	Y362-Q383 HydrophobicContact CD2-CB 4.49Å; Y362-Q383 HydrophobicContact CE2-CB 3.95Å; Y362-Q383 PolarHBondContact OH-OE1 3.03Å; P363-Q383 PolarHBondContact O-N 2.94Å; V364-Q383 WeakPolarHBondContact CA-O 3.37Å; V364-Q383 HydrophobicContact CB-CB 4.46Å; V364-Q383 HydrophobicContact CG1-CB 4.25Å; V364-Q383 HydrophobicContact CG1-CG 4.19Å; V364-Q383 HydrophobicContact CG2-CB 4.16Å; V365-Q383 PolarHBondContact N-O 3.49Å; Q383-F413 CarbonylContact C-O 3.56Å; Q383-F413 VanDerWaalsContact CA-O 3.28Å; Q383-F413 WeakPolarHBondContact CA-O 3.44Å; Q383-F413 HydrophobicContact CB-CB 4.2Å; Q383-F413 HydrophobicContact CG-CB 4.07Å; Q383-N415 HydrophobicContact CG-CB 4.36Å; Q383-N415 PolarHBondContact NE2-ND2 3.05Å; Q383-N415 PolarHBondContact NE2-OD1 3.17Å; Q383-H430 PolarHBondContact NE2-CD2 2.83Å
384	L	93.6	Very high	87.3	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.8	171	-178.3	71.1	0	0	0	109	V365 I371 I386 V398 A401 L412 F413 I414 N415	V365-L384 CarbonylContact O-C 3.58Å; V365-L384 WeakPolarHBondContact O-CA 3.34Å; I371-L384 HydrophobicContact CG1-CD1 4.21Å; L384-I386 HydrophobicContact CD1-CD1 4.33Å; L384-I386 HydrophobicContact CD1-CG1 4.19Å; L384-I386 HydrophobicContact CD2-CD1 3.95Å; L384-I386 HydrophobicContact CD2-CG1 4.45Å; L384-I386 HydrophobicContact CG-CD1 4.23Å; L384-I386 HydrophobicContact CG-CG1 4.19Å; L384-V398 HydrophobicContact CD2-CG2 4.42Å; L384-A401 HydrophobicContact CD2-CB 3.7Å; L384-L412 HydrophobicContact CB-CD1 4.39Å; L384-F413 PolarHBondContact N-O 3.46Å; L384-I414 HydrophobicContact CB-CD1 4.19Å; L384-I414 HydrophobicContact CD2-CD1 4.26Å; L384-N415 WeakPolarHBondContact O-CB 3.35Å; L384-N415 PolarHBondContact O-N 3.4Å
385	R	90.7	Very high	87.6	Confident	62 Å²	62	62.3 Å²	62.3	23%	0.234	31%	0.314	C	S	.	.			trans	-126	86.2	-179.4	-179.7	173.6	-167.8	-122.2	14.8	110.3	V364 V365 D366 N415	V364-R385 HydrophobicContact CG1-CB 3.71Å; V364-R385 HydrophobicContact CG1-CG 4.46Å; V365-R385 PolarHBondContact O-N 2.87Å; D366-R385 WeakPolarHBondContact CA-O 3.23Å; R385-N415 HydrophobicContact CB-CB 4Å; R385-N415 WeakPolarHBondContact CD-ND2 3.4Å; R385-N415 HydrophobicContact CG-CB 4.16Å; R385-N415 VanDerWaalsContact CG-ND2 3.28Å; R385-N415 WeakPolarHBondContact CG-ND2 3.41Å; R385-N415 PolarHBondContact NE-ND2 2.78Å
386	I	88.9	Confident	87.8	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.072	34%	0.342	C	S	.	.			trans	-89.1	136.3	167.2	-58.4	166.3	0	0	0	107.1	D366 L384 R389 V394 D397 Y417	D366-I386 WeakPolarHBondContact O-CG1 3.25Å; L384-I386 HydrophobicContact CD1-CD1 4.33Å; L384-I386 HydrophobicContact CD1-CG1 4.19Å; L384-I386 HydrophobicContact CD2-CD1 3.95Å; L384-I386 HydrophobicContact CD2-CG1 4.45Å; L384-I386 HydrophobicContact CG-CD1 4.23Å; L384-I386 HydrophobicContact CG-CG1 4.19Å; I386-R389 HydrophobicContact CG2-CB 4.42Å; I386-R389 HydrophobicContact CG2-CG 4.32Å; I386-V394 HydrophobicContact CB-CG1 4.28Å; I386-V394 HydrophobicContact CD1-CB 4.3Å; I386-V394 HydrophobicContact CD1-CG1 4.23Å; I386-V394 HydrophobicContact CG2-CG1 3.62Å; I386-D397 HydrophobicContact CD1-CB 3.66Å; I386-Y417 HydrophobicContact CB-CE2 4.21Å; I386-Y417 WeakPolarHBondContact O-CE2 3.37Å
387	K	82	Confident	88.1	Confident	99 Å²	99	63 Å²	63	43%	0.43	33%	0.327	S	S	.	.			trans	-116.2	159.1	178.4	-78.5	-160.4	166.9	-146.5	0	111.4	R389	K387-R389 PolarHBondContact O-N 2.91Å
388	D	80.7	Confident	88.5	Confident	163 Å²	163	59.2 Å²	59.2	87%	0.872	30%	0.296	S	S	*	.	S	Bend	trans	59	30.3	165.1	-48.2	-41.9	0	0	0	114.5
389	R	86.8	Confident	89.2	Confident	105 Å²	105	61.5 Å²	61.5	40%	0.396	30%	0.296	S	S	.	.			trans	-130	148.2	176.4	-65.6	-179.4	73.2	-160.6	0	110.6	I386 K387 E393 V394 D397 Y417	I386-R389 HydrophobicContact CG2-CB 4.42Å; I386-R389 HydrophobicContact CG2-CG 4.32Å; K387-R389 PolarHBondContact O-N 2.91Å; R389-E393 HydrophobicContact CB-CB 4.36Å; R389-E393 PolarHBondContact NH2-O 2.7Å; R389-V394 HydrophobicContact CB-CG1 3.45Å; R389-V394 VanDerWaalsContact CB-CG1 3.45Å; R389-V394 HydrophobicContact CG-CG1 4.28Å; R389-D397 IonicContact CZ-OD2 2.92Å; R389-D397 IonicContact NH1-OD2 2.85Å; R389-D397 PolarHBondContact NH1-OD2 2.61Å; R389-Y417 WeakPolarHBondContact O-CE1 3.28Å; R389-Y417 PolarHBondContact O-OH 2.92Å
390	R	86.6	Confident	89.8	Confident	147 Å²	147	61.7 Å²	61.7	56%	0.555	30%	0.302	S	S	*	.			trans	-76.7	155.6	178.4	-63	176.6	-68.1	148.7	-4.4	111.1	E392 E393 V394	R390-E392 IonicContact CZ-OE2 3.74Å; R390-E392 IonicContact NH1-OE2 3.64Å; R390-E392 PolarHBondContact NH1-OE2 2.86Å; R390-E392 PolarHBondContact O-N 2.78Å; R390-E392 VanDerWaalsContact O-N 3.14Å; R390-E393 HydrophobicContact CB-CG 4.35Å; R390-E393 IonicContact CZ-OE1 2.77Å; R390-E393 PolarHBondContact N-OE2 3.05Å; R390-E393 IonicContact NE-OE1 3.94Å; R390-E393 PolarHBondContact NE-OE1 2.86Å; R390-E393 IonicContact NE-OE2 3.59Å; R390-E393 IonicContact NH2-OE1 3.46Å; R390-E393 PolarHBondContact NH2-OE1 2.82Å; R390-E393 WeakPolarHBondContact O-CB 3.32Å; R390-E393 PolarHBondContact O-N 2.81Å; R390-V394 PolarHBondContact O-N 3.34Å
391	D	85.3	Confident	90.1	Very high	54 Å²	54	57.5 Å²	57.5	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-48.4	-43.8	178.5	-72.7	20.2	0	0	0	112.3	E393 V394 E395 Y417 L420	D391-E393 PolarHBondContact O-N 3.3Å; D391-V394 PolarHBondContact O-N 2.78Å; D391-E395 WeakPolarHBondContact O-CB 3.22Å; D391-E395 PolarHBondContact O-N 2.86Å; D391-Y417 VanDerWaalsContact OD1-CD1 3.31Å; D391-Y417 WeakPolarHBondContact OD1-CD1 3.3Å; D391-L420 HydrophobicContact CB-CD1 4.15Å; D391-L420 HydrophobicContact CB-CD2 4.46Å; D391-L420 HydrophobicContact CB-CG 4.3Å
392	E	88.5	Confident	90.4	Very high	140 Å²	140	56 Å²	56	65%	0.654	28%	0.276	S	S	*	.	H	α-helix	trans	-61.2	-29.5	179.2	-58.3	121.6	-161.6	0	0	113.5	R390	R390-E392 IonicContact CZ-OE2 3.74Å; R390-E392 IonicContact NH1-OE2 3.64Å; R390-E392 PolarHBondContact NH1-OE2 2.86Å; R390-E392 PolarHBondContact O-N 2.78Å; R390-E392 VanDerWaalsContact O-N 3.14Å
393	E	89.8	Confident	90.6	Very high	76 Å²	76	58.7 Å²	58.7	36%	0.355	30%	0.299	S	S	.	.	H	α-helix	trans	-84.9	-29.2	-175.5	-63.1	169.6	153.4	0	0	111.4	R389 R390 D391	R389-E393 HydrophobicContact CB-CB 4.36Å; R389-E393 PolarHBondContact NH2-O 2.7Å; R390-E393 HydrophobicContact CB-CG 4.35Å; R390-E393 IonicContact CZ-OE1 2.77Å; R390-E393 PolarHBondContact N-OE2 3.05Å; R390-E393 IonicContact NE-OE1 3.94Å; R390-E393 PolarHBondContact NE-OE1 2.86Å; R390-E393 IonicContact NE-OE2 3.59Å; R390-E393 IonicContact NH2-OE1 3.46Å; R390-E393 PolarHBondContact NH2-OE1 2.82Å; R390-E393 WeakPolarHBondContact O-CB 3.32Å; R390-E393 PolarHBondContact O-N 2.81Å; D391-E393 PolarHBondContact O-N 3.3Å
394	V	91.9	Very high	90.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-103.1	-10.7	-176.8	-60.5	0	0	0	0	113.8	I386 R389 R390 D391 A396 D397 V398 Y417 L420	I386-V394 HydrophobicContact CB-CG1 4.28Å; I386-V394 HydrophobicContact CD1-CB 4.3Å; I386-V394 HydrophobicContact CD1-CG1 4.23Å; I386-V394 HydrophobicContact CG2-CG1 3.62Å; R389-V394 HydrophobicContact CB-CG1 3.45Å; R389-V394 VanDerWaalsContact CB-CG1 3.45Å; R389-V394 HydrophobicContact CG-CG1 4.28Å; R390-V394 PolarHBondContact O-N 3.34Å; D391-V394 PolarHBondContact O-N 2.78Å; V394-A396 VanDerWaalsContact C-N 3.27Å; V394-A396 PolarHBondContact O-N 3.27Å; V394-D397 WeakPolarHBondContact O-CA 3.07Å; V394-D397 WeakPolarHBondContact O-CB 3.26Å; V394-D397 PolarHBondContact O-N 2.99Å; V394-V398 HydrophobicContact CB-CG2 4.48Å; V394-V398 HydrophobicContact CG2-CG2 4.38Å; V394-V398 WeakPolarHBondContact O-CG2 3.39Å; V394-V398 PolarHBondContact O-N 2.91Å; V394-Y417 HydrophobicContact CG1-CE2 4.44Å; V394-Y417 HydrophobicContact CG2-CD1 3.74Å; V394-Y417 HydrophobicContact CG2-CD2 4.19Å; V394-Y417 HydrophobicContact CG2-CE1 3.5Å; V394-Y417 HydrophobicContact CG2-CE2 3.98Å; V394-Y417 HydrophobicContact CG2-CG 4.09Å; V394-L420 HydrophobicContact CG2-CD1 3.69Å
395	E	93.8	Very high	90.5	Very high	45 Å²	45	59.2 Å²	59.2	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-53.6	-42.8	-176.3	176.2	160.4	-147.3	0	0	112.6	D391 D397 V398 M399 L420 K423 H424	D391-E395 WeakPolarHBondContact O-CB 3.22Å; D391-E395 PolarHBondContact O-N 2.86Å; E395-D397 VanDerWaalsContact C-N 3.34Å; E395-D397 PolarHBondContact O-N 3.43Å; E395-V398 PolarHBondContact O-N 3.4Å; E395-M399 HydrophobicContact CG-CG 4.34Å; E395-M399 HydrophobicContact CG-SD 4.08Å; E395-M399 WeakPolarHBondContact O-CB 3.24Å; E395-M399 VanDerWaalsContact O-CG 3.25Å; E395-M399 WeakPolarHBondContact O-CG 3.37Å; E395-M399 PolarHBondContact O-N 3.19Å; E395-L420 HydrophobicContact CB-CD1 4.26Å; E395-L420 HydrophobicContact CB-CD2 3.98Å; E395-L420 HydrophobicContact CG-CD2 3.97Å; E395-K423 WeakPolarHBondContact OE1-CD 3.44Å; E395-K423 WeakPolarHBondContact OE1-CE 3.37Å; E395-K423 IonicContact OE1-NZ 2.64Å; E395-K423 PolarHBondContact OE1-NZ 2.96Å; E395-K423 IonicContact OE2-NZ 3.37Å; E395-K423 PolarHBondContact OE2-NZ 3.28Å; E395-H424 IonicContact OE1-CD2 3.79Å; E395-H424 IonicContact OE1-CE1 2.62Å; E395-H424 PolarHBondContact OE1-CE1 2.88Å; E395-H424 IonicContact OE1-NE2 3.81Å; E395-H424 PolarHBondContact OE1-NE2 3.4Å
396	A	92.4	Very high	90.4	Very high	72 Å²	72	63.1 Å²	63.1	60%	0.595	32%	0.317	S	S	*	.	H	α-helix	trans	-62.2	-40.4	176.2	0	0	0	0	0	112.6	V394 A400	V394-A396 VanDerWaalsContact C-N 3.27Å; V394-A396 PolarHBondContact O-N 3.27Å; A396-A400 WeakPolarHBondContact O-CB 3.46Å; A396-A400 PolarHBondContact O-N 3.21Å
397	D	93.6	Very high	90.5	Very high	47 Å²	47	71.3 Å²	71.3	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-68.6	-43.5	178.1	-66.4	-40.9	0	0	0	110.9	V368 I386 R389 V394 E395 A400 A401	V368-D397 HydrophobicContact CG2-CB 3.77Å; V368-D397 WeakPolarHBondContact CG2-O 3.39Å; I386-D397 HydrophobicContact CD1-CB 3.66Å; R389-D397 IonicContact CZ-OD2 2.92Å; R389-D397 IonicContact NH1-OD2 2.85Å; R389-D397 PolarHBondContact NH1-OD2 2.61Å; V394-D397 WeakPolarHBondContact O-CA 3.07Å; V394-D397 WeakPolarHBondContact O-CB 3.26Å; V394-D397 PolarHBondContact O-N 2.99Å; E395-D397 VanDerWaalsContact C-N 3.34Å; E395-D397 PolarHBondContact O-N 3.43Å; D397-A400 PolarHBondContact O-N 2.85Å; D397-A401 WeakPolarHBondContact O-CB 3.46Å; D397-A401 PolarHBondContact O-N 2.98Å
398	V	93.8	Very high	90.9	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-45.5	177.3	171.9	0	0	0	0	111	L384 V394 E395 A401 I402 I414 L420	L384-V398 HydrophobicContact CD2-CG2 4.42Å; V394-V398 HydrophobicContact CB-CG2 4.48Å; V394-V398 HydrophobicContact CG2-CG2 4.38Å; V394-V398 WeakPolarHBondContact O-CG2 3.39Å; V394-V398 PolarHBondContact O-N 2.91Å; E395-V398 PolarHBondContact O-N 3.4Å; V398-A401 PolarHBondContact O-N 3.03Å; V398-I402 HydrophobicContact CG1-CD1 3.68Å; V398-I402 HydrophobicContact CG1-CG1 4.41Å; V398-I402 VanDerWaalsContact O-CG1 3.26Å; V398-I402 WeakPolarHBondContact O-CG1 3.43Å; V398-I402 PolarHBondContact O-N 2.81Å; V398-I414 HydrophobicContact CG1-CD1 4.07Å; V398-I414 HydrophobicContact CG1-CG1 4.08Å; V398-I414 HydrophobicContact CG1-CG2 4.15Å; V398-I414 HydrophobicContact CG2-CG2 4.13Å; V398-L420 HydrophobicContact CB-CD1 4.45Å; V398-L420 HydrophobicContact CG1-CB 4.02Å; V398-L420 HydrophobicContact CG2-CD1 4.12Å
399	M	94.9	Very high	91.2	Very high	90 Å²	90	66.5 Å²	66.5	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-58.8	-48	175	-76.8	-178.7	71.9	0	0	111.9	E395 A401 I402 A403 H424	E395-M399 HydrophobicContact CG-CG 4.34Å; E395-M399 HydrophobicContact CG-SD 4.08Å; E395-M399 WeakPolarHBondContact O-CB 3.24Å; E395-M399 VanDerWaalsContact O-CG 3.25Å; E395-M399 WeakPolarHBondContact O-CG 3.37Å; E395-M399 PolarHBondContact O-N 3.19Å; M399-A401 VanDerWaalsContact C-N 3.35Å; M399-A401 PolarHBondContact O-N 3.26Å; M399-I402 PolarHBondContact O-N 2.85Å; M399-A403 WeakPolarHBondContact O-CB 3.22Å; M399-A403 PolarHBondContact O-N 3.46Å; M399-H424 WeakPolarHBondContact CG-CE1 3.48Å; M399-H424 WeakPolarHBondContact CG-ND1 3.41Å; M399-H424 VanDerWaalsContact CG-NE2 3.34Å; M399-H424 WeakPolarHBondContact CG-NE2 3.28Å; M399-H424 PolarHBondContact SD-CE1 3.28Å
400	A	94.7	Very high	91.1	Very high	42 Å²	42	61.9 Å²	61.9	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-41.8	179.7	0	0	0	0	0	111.6	V368 A396 D397 A403 L404	V368-A400 HydrophobicContact CG1-CB 3.91Å; V368-A400 HydrophobicContact CG2-CB 4.38Å; A396-A400 WeakPolarHBondContact O-CB 3.46Å; A396-A400 PolarHBondContact O-N 3.21Å; D397-A400 PolarHBondContact O-N 2.85Å; A400-A403 PolarHBondContact O-N 3.33Å; A400-L404 WeakPolarHBondContact O-CG 3.28Å; A400-L404 PolarHBondContact O-N 2.92Å
401	A	94.9	Very high	91.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-45.1	176.7	0	0	0	0	0	111.9	V368 L384 D397 V398 M399 A403 L404 G405 L412	V368-A401 HydrophobicContact CG2-CB 4.32Å; L384-A401 HydrophobicContact CD2-CB 3.7Å; D397-A401 WeakPolarHBondContact O-CB 3.46Å; D397-A401 PolarHBondContact O-N 2.98Å; V398-A401 PolarHBondContact O-N 3.03Å; M399-A401 VanDerWaalsContact C-N 3.35Å; M399-A401 PolarHBondContact O-N 3.26Å; A401-A403 VanDerWaalsContact C-N 3.3Å; A401-A403 PolarHBondContact O-N 2.82Å; A401-L404 WeakPolarHBondContact O-CB 3.47Å; A401-L404 PolarHBondContact O-N 2.83Å; A401-G405 PolarHBondContact O-N 3.49Å; A401-L412 HydrophobicContact CB-CD2 3.54Å; A401-L412 WeakPolarHBondContact O-CD2 3.44Å
402	I	93.8	Very high	91.6	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-40.2	176.5	-67.1	165.4	0	0	0	110.9	V398 M399 G405 R406 L412 I414 H424 A426	V398-I402 HydrophobicContact CG1-CD1 3.68Å; V398-I402 HydrophobicContact CG1-CG1 4.41Å; V398-I402 VanDerWaalsContact O-CG1 3.26Å; V398-I402 WeakPolarHBondContact O-CG1 3.43Å; V398-I402 PolarHBondContact O-N 2.81Å; M399-I402 PolarHBondContact O-N 2.85Å; I402-G405 PolarHBondContact O-N 3.13Å; I402-R406 PolarHBondContact O-N 2.91Å; I402-L412 HydrophobicContact CG1-CD2 4.49Å; I402-I414 HydrophobicContact CD1-CG1 4.26Å; I402-I414 HydrophobicContact CG1-CD1 4.08Å; I402-I414 HydrophobicContact CG1-CG1 4.22Å; I402-H424 HydrophobicContact CD1-CB 3.52Å; I402-A426 HydrophobicContact CD1-CB 3.69Å; I402-A426 HydrophobicContact CG1-CB 3.89Å
403	A	93.2	Very high	91.9	Very high	58 Å²	58	48.6 Å²	48.6	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-42.3	175.1	0	0	0	0	0	112.1	M399 A400 A401 R406 R407	M399-A403 WeakPolarHBondContact O-CB 3.22Å; M399-A403 PolarHBondContact O-N 3.46Å; A400-A403 PolarHBondContact O-N 3.33Å; A401-A403 VanDerWaalsContact C-N 3.3Å; A401-A403 PolarHBondContact O-N 2.82Å; A403-R406 PolarHBondContact O-N 2.93Å; A403-R407 VanDerWaalsContact O-CB 3.27Å; A403-R407 WeakPolarHBondContact O-CB 3.32Å; A403-R407 PolarHBondContact O-N 2.88Å
404	L	93.9	Very high	92.1	Very high	17 Å²	17	45 Å²	45	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-44.4	171.7	-73.8	172.3	0	0	0	111.5	V368 I371 E372 L375 A400 A401 R406 R407 Y408	V368-L404 HydrophobicContact CG1-CD1 3.58Å; I371-L404 HydrophobicContact CG2-CB 4.28Å; I371-L404 HydrophobicContact CG2-CD1 4.17Å; E372-L404 HydrophobicContact CB-CD1 3.88Å; E372-L404 HydrophobicContact CG-CD1 4.48Å; E372-L404 HydrophobicContact CG-CD2 4.27Å; L375-L404 HydrophobicContact CD1-CB 3.7Å; A400-L404 WeakPolarHBondContact O-CG 3.28Å; A400-L404 PolarHBondContact O-N 2.92Å; A401-L404 WeakPolarHBondContact O-CB 3.47Å; A401-L404 PolarHBondContact O-N 2.83Å; L404-R406 PolarHBondContact O-N 2.67Å; L404-R407 PolarHBondContact O-N 2.8Å; L404-Y408 HydrophobicContact CD2-CE2 4.07Å; L404-Y408 WeakPolarHBondContact O-CD2 3.39Å; L404-Y408 PolarHBondContact O-N 2.81Å
405	G	89.4	Confident	92.1	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-53.7	-51.2	174.7	0	0	0	0	0	111.7	A401 I402 N409 A410	A401-G405 PolarHBondContact O-N 3.49Å; I402-G405 PolarHBondContact O-N 3.13Å; G405-N409 CarbonylContact O-C 3.58Å; G405-N409 PolarHBondContact O-N 2.82Å; G405-N409 VanDerWaalsContact O-N 3.11Å; G405-A410 PolarHBondContact O-N 3.45Å
406	R	90.3	Very high	91.9	Very high	144 Å²	144	45.5 Å²	45.5	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-44.8	176.4	-70.6	-178.3	-175.8	152.5	9.5	112.8	I402 A403 L404 Y408 N409 H424 Q425	I402-R406 PolarHBondContact O-N 2.91Å; A403-R406 PolarHBondContact O-N 2.93Å; L404-R406 PolarHBondContact O-N 2.67Å; R406-Y408 VanDerWaalsContact C-N 3.29Å; R406-Y408 PolarHBondContact O-N 2.85Å; R406-N409 PolarHBondContact O-N 3.28Å; R406-N409 VanDerWaalsContact O-N 3.14Å; R406-H424 PolarHBondContact NH2-O 3.31Å; R406-Q425 VanDerWaalsContact NH2-CB 3.32Å; R406-Q425 PolarHBondContact NH2-O 3.45Å
407	R	91.2	Very high	91.9	Very high	186 Å²	186	43.1 Å²	43.1	70%	0.702	21%	0.211	S	C	*	.	H	α-helix	trans	-59.4	-39.4	-178.6	177.6	177.7	173	-174.3	-4.8	112.4	A403 L404	A403-R407 VanDerWaalsContact O-CB 3.27Å; A403-R407 WeakPolarHBondContact O-CB 3.32Å; A403-R407 PolarHBondContact O-N 2.88Å; L404-R407 PolarHBondContact O-N 2.8Å
408	Y	89.5	Confident	91.8	Very high	43 Å²	43	42.3 Å²	42.3	17%	0.169	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	8.1	-179.7	-73.3	-102.1	0	0	0	113.1	L375 D376 R380 L404 R406 A410	L375-Y408 HydrophobicContact CB-CD1 3.76Å; L375-Y408 HydrophobicContact CB-CD2 4.11Å; L375-Y408 HydrophobicContact CB-CE1 4.04Å; L375-Y408 HydrophobicContact CB-CE2 4.4Å; L375-Y408 HydrophobicContact CB-CG 3.79Å; L375-Y408 HydrophobicContact CD1-CD2 3.88Å; L375-Y408 HydrophobicContact CD1-CE2 4.49Å; L375-Y408 HydrophobicContact CD1-CG 4.1Å; L375-Y408 HydrophobicContact CD2-CG 4.27Å; L375-Y408 HydrophobicContact CG-CG 4.29Å; D376-Y408 WeakPolarHBondContact OD1-CE1 3.31Å; D376-Y408 VanDerWaalsContact OD1-CZ 3.28Å; D376-Y408 PolarHBondContact OD1-OH 2.89Å; R380-Y408 WeakPolarHBondContact CD-O 3.41Å; L404-Y408 HydrophobicContact CD2-CE2 4.07Å; L404-Y408 WeakPolarHBondContact O-CD2 3.39Å; L404-Y408 PolarHBondContact O-N 2.81Å; R406-Y408 VanDerWaalsContact C-N 3.29Å; R406-Y408 PolarHBondContact O-N 2.85Å; Y408-A410 PolarHBondContact O-N 3.14Å
409	N	87.3	Confident	91.8	Very high	118 Å²	118	49.1 Å²	49.1	63%	0.631	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	39.9	-172.8	-164.3	32.9	0	0	0	113	G405 R406	G405-N409 CarbonylContact O-C 3.58Å; G405-N409 PolarHBondContact O-N 2.82Å; G405-N409 VanDerWaalsContact O-N 3.11Å; R406-N409 PolarHBondContact O-N 3.28Å; R406-N409 VanDerWaalsContact O-N 3.14Å
410	A	85.2	Confident	91.8	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	21%	0.211	C	C	.	.			trans	-100.3	142.5	-175.2	0	0	0	0	0	112.6	L375 R380 L382 G405 Y408 L412	L375-A410 HydrophobicContact CD2-CB 3.22Å; R380-A410 CarbonylContact O-C 3.5Å; R380-A410 WeakPolarHBondContact O-CA 3.3Å; R380-A410 WeakPolarHBondContact O-CB 3.23Å; L382-A410 HydrophobicContact CD1-CB 4.12Å; G405-A410 PolarHBondContact O-N 3.45Å; Y408-A410 PolarHBondContact O-N 3.14Å; A410-L412 PolarHBondContact O-N 3.3Å
411	R	89.7	Confident	91.7	Very high	44 Å²	44	43.1 Å²	43.1	17%	0.166	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	85	175.1	-58	177.8	-172.1	158.4	10.3	109.4	R380 T381 L382 Y427 L534	R380-R411 PolarHBondContact O-N 3.25Å; T381-R411 WeakPolarHBondContact CA-O 3.49Å; T381-R411 HydrophobicContact CG2-CB 4.08Å; L382-R411 PolarHBondContact N-O 2.9Å; R411-Y427 HydrophobicContact CB-CD1 3.73Å; R411-Y427 HydrophobicContact CB-CD2 4.39Å; R411-Y427 HydrophobicContact CB-CE1 3.58Å; R411-Y427 HydrophobicContact CB-CE2 4.25Å; R411-Y427 HydrophobicContact CB-CG 4.16Å; R411-Y427 WeakPolarHBondContact CD-OH 3.48Å; R411-Y427 HydrophobicContact CG-CD1 4.3Å; R411-Y427 HydrophobicContact CG-CD2 4.23Å; R411-Y427 HydrophobicContact CG-CE1 3.83Å; R411-Y427 HydrophobicContact CG-CE2 3.75Å; R411-Y427 HydrophobicContact CG-CG 4.49Å; R411-L534 PolarHBondContact NH1-O 2.63Å; R411-L534 PolarHBondContact NH2-O 3.02Å
412	L	92.4	Very high	91.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.1	178.6	-177.6	71	0	0	0	111.5	I371 L382 L384 A401 I402 A410 I414 Y427	I371-L412 HydrophobicContact CD1-CD1 3.59Å; I371-L412 HydrophobicContact CG1-CD1 4.34Å; I371-L412 HydrophobicContact CG2-CD1 4.47Å; L382-L412 HydrophobicContact CB-CD1 4.11Å; L382-L412 WeakPolarHBondContact O-CA 3.43Å; L384-L412 HydrophobicContact CB-CD1 4.39Å; A401-L412 HydrophobicContact CB-CD2 3.54Å; A401-L412 WeakPolarHBondContact O-CD2 3.44Å; I402-L412 HydrophobicContact CG1-CD2 4.49Å; A410-L412 PolarHBondContact O-N 3.3Å; L412-I414 HydrophobicContact CD2-CD1 3.95Å; L412-I414 HydrophobicContact CG-CD1 4.21Å; L412-Y427 WeakPolarHBondContact O-CB 3.48Å
413	F	93.7	Very high	91.6	Very high	14 Å²	14	51.1 Å²	51.1	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.1	170.8	-70	-94.7	0	0	0	111	L382 Q383 L384 Y427 G428 R450 Y471	L382-F413 PolarHBondContact O-N 3.24Å; Q383-F413 CarbonylContact C-O 3.56Å; Q383-F413 VanDerWaalsContact CA-O 3.28Å; Q383-F413 WeakPolarHBondContact CA-O 3.44Å; Q383-F413 HydrophobicContact CB-CB 4.2Å; Q383-F413 HydrophobicContact CG-CB 4.07Å; L384-F413 PolarHBondContact N-O 3.46Å; F413-Y427 HydrophobicContact CD2-CD1 4.27Å; F413-Y427 HydrophobicContact CE1-CD1 4.32Å; F413-Y427 HydrophobicContact CE1-CE1 4.34Å; F413-Y427 AromaticContact CE2-CD1 3.75Å; F413-Y427 HydrophobicContact CE2-CD1 3.75Å; F413-Y427 AromaticContact CE2-CE1 3.61Å; F413-Y427 HydrophobicContact CE2-CE1 3.61Å; F413-Y427 AromaticContact CZ-CD1 3.79Å; F413-Y427 HydrophobicContact CZ-CD1 3.79Å; F413-Y427 AromaticContact CZ-CE1 3.49Å; F413-Y427 HydrophobicContact CZ-CE1 3.49Å; F413-Y427 VanDerWaalsContact CZ-CE1 3.49Å; F413-G428 WeakPolarHBondContact CA-O 3.17Å; F413-R450 HydrophobicContact CE1-CB 3.77Å; F413-R450 HydrophobicContact CZ-CB 4.14Å; F413-Y471 HydrophobicContact CD1-CE1 4.08Å; F413-Y471 HydrophobicContact CE1-CD1 4.33Å; F413-Y471 AromaticContact CE1-CE1 3.57Å; F413-Y471 HydrophobicContact CE1-CE1 3.57Å; F413-Y471 HydrophobicContact CE2-CE1 4.38Å; F413-Y471 HydrophobicContact CZ-CD1 4.3Å; F413-Y471 AromaticContact CZ-CE1 3.72Å; F413-Y471 HydrophobicContact CZ-CE1 3.72Å
414	I	94.5	Very high	91.6	Very high	1 Å²	1	50 Å²	50	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.8	171	-54.9	-56.1	0	0	0	108.1	L384 V398 I402 L412 A421 A426 G428 V429 H430	L384-I414 HydrophobicContact CB-CD1 4.19Å; L384-I414 HydrophobicContact CD2-CD1 4.26Å; V398-I414 HydrophobicContact CG1-CD1 4.07Å; V398-I414 HydrophobicContact CG1-CG1 4.08Å; V398-I414 HydrophobicContact CG1-CG2 4.15Å; V398-I414 HydrophobicContact CG2-CG2 4.13Å; I402-I414 HydrophobicContact CD1-CG1 4.26Å; I402-I414 HydrophobicContact CG1-CD1 4.08Å; I402-I414 HydrophobicContact CG1-CG1 4.22Å; L412-I414 HydrophobicContact CD2-CD1 3.95Å; L412-I414 HydrophobicContact CG-CD1 4.21Å; I414-A421 HydrophobicContact CB-CB 4.15Å; I414-A421 HydrophobicContact CG1-CB 4.4Å; I414-A426 HydrophobicContact CG1-CB 3.85Å; I414-G428 PolarHBondContact N-O 2.8Å; I414-V429 VanDerWaalsContact O-CA 3.25Å; I414-V429 WeakPolarHBondContact O-CA 3.21Å; I414-V429 VanDerWaalsContact O-CG2 3.26Å; I414-V429 WeakPolarHBondContact O-CG2 3.49Å; I414-H430 PolarHBondContact O-N 3.45Å
415	N	92.1	Very high	91.5	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.9	179	-151.4	17.9	0	0	0	111	Q383 L384 R385 Y417 H430	Q383-N415 HydrophobicContact CG-CB 4.36Å; Q383-N415 PolarHBondContact NE2-ND2 3.05Å; Q383-N415 PolarHBondContact NE2-OD1 3.17Å; L384-N415 WeakPolarHBondContact O-CB 3.35Å; L384-N415 PolarHBondContact O-N 3.4Å; R385-N415 HydrophobicContact CB-CB 4Å; R385-N415 WeakPolarHBondContact CD-ND2 3.4Å; R385-N415 HydrophobicContact CG-CB 4.16Å; R385-N415 VanDerWaalsContact CG-ND2 3.28Å; R385-N415 WeakPolarHBondContact CG-ND2 3.41Å; R385-N415 PolarHBondContact NE-ND2 2.78Å; N415-Y417 WeakPolarHBondContact O-CD2 3.31Å; N415-Y417 PolarHBondContact O-N 3.33Å; N415-H430 WeakPolarHBondContact CA-O 3.47Å; N415-H430 WeakPolarHBondContact OD1-CB 3.42Å; N415-H430 PolarHBondContact OD1-CD2 3.38Å; N415-H430 VanDerWaalsContact OD1-CD2 3.31Å; N415-H430 PolarHBondContact OD1-O 3.21Å
416	D	89.9	Confident	91.6	Very high	47 Å²	47	56 Å²	56	25%	0.251	24%	0.244	S	C	.	.	S	Bend	trans	64.3	-36	171.9	-48.7	-28.5	0	0	0	116.1	W418 H430	D416-W418 VanDerWaalsContact C-N 3.26Å; D416-W418 PolarHBondContact O-N 3.34Å; D416-H430 PolarHBondContact N-O 3.3Å
417	Y	92.2	Very high	91.7	Very high	21 Å²	21	53 Å²	53	8%	0.082	23%	0.233	C	C	.	.			trans	-80.6	55.8	-177.4	-59.1	-76.4	0	0	0	114	I386 R389 D391 V394 N415 R419 L420 A421	I386-Y417 HydrophobicContact CB-CE2 4.21Å; I386-Y417 WeakPolarHBondContact O-CE2 3.37Å; R389-Y417 WeakPolarHBondContact O-CE1 3.28Å; R389-Y417 PolarHBondContact O-OH 2.92Å; D391-Y417 VanDerWaalsContact OD1-CD1 3.31Å; D391-Y417 WeakPolarHBondContact OD1-CD1 3.3Å; V394-Y417 HydrophobicContact CG1-CE2 4.44Å; V394-Y417 HydrophobicContact CG2-CD1 3.74Å; V394-Y417 HydrophobicContact CG2-CD2 4.19Å; V394-Y417 HydrophobicContact CG2-CE1 3.5Å; V394-Y417 HydrophobicContact CG2-CE2 3.98Å; V394-Y417 HydrophobicContact CG2-CG 4.09Å; N415-Y417 WeakPolarHBondContact O-CD2 3.31Å; N415-Y417 PolarHBondContact O-N 3.33Å; Y417-R419 VanDerWaalsContact C-N 3.28Å; Y417-R419 PolarHBondContact O-N 3.39Å; Y417-L420 HydrophobicContact CD1-CD1 4.24Å; Y417-L420 HydrophobicContact CG-CD1 4.33Å; Y417-L420 PolarHBondContact O-N 3.42Å; Y417-L420 VanDerWaalsContact O-N 3.14Å; Y417-A421 PolarHBondContact O-N 3.22Å
418	W	92.2	Very high	91.7	Very high	30 Å²	30	44.1 Å²	44.1	11%	0.114	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-33.9	-175.9	63.5	-94.9	0	0	0	114.1	D416 A421 I422 V429 L431 T439 D440 I444	D416-W418 VanDerWaalsContact C-N 3.26Å; D416-W418 PolarHBondContact O-N 3.34Å; W418-A421 PolarHBondContact O-N 3.16Å; W418-I422 HydrophobicContact CE3-CD1 3.74Å; W418-I422 HydrophobicContact CZ3-CD1 4.06Å; W418-I422 WeakPolarHBondContact O-CG1 3.43Å; W418-I422 PolarHBondContact O-N 3.35Å; W418-V429 HydrophobicContact CB-CG2 3.8Å; W418-L431 HydrophobicContact CB-CD2 4.43Å; W418-T439 HydrophobicContact CB-CG2 4.35Å; W418-T439 HydrophobicContact CD2-CG2 3.78Å; W418-T439 HydrophobicContact CE3-CG2 4.38Å; W418-T439 HydrophobicContact CG-CG2 3.76Å; W418-T439 HydrophobicContact CZ2-CG2 4.45Å; W418-T439 PolarHBondContact NE1-OG1 3.35Å; W418-D440 HydrophobicContact CH2-CB 3.85Å; W418-D440 HydrophobicContact CZ3-CB 4.07Å; W418-I444 HydrophobicContact CB-CD1 4Å; W418-I444 HydrophobicContact CB-CG1 4.38Å
419	R	93.2	Very high	92	Very high	144 Å²	144	42 Å²	42	54%	0.543	19%	0.191	S	C	.	.	H	α-helix	trans	-64.5	-43.6	176.4	-67.8	-173.7	-178.5	96.5	2.9	111.8	Y417 I422 K423	Y417-R419 VanDerWaalsContact C-N 3.28Å; Y417-R419 PolarHBondContact O-N 3.39Å; R419-I422 PolarHBondContact O-N 3.5Å; R419-K423 VanDerWaalsContact O-CB 3.28Å; R419-K423 WeakPolarHBondContact O-CB 3.3Å; R419-K423 PolarHBondContact O-N 3.29Å
420	L	94.1	Very high	92.3	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-69	-37.1	175.3	-65	178.7	0	0	0	111.4	D391 V394 E395 V398 Y417 K423 H424	D391-L420 HydrophobicContact CB-CD1 4.15Å; D391-L420 HydrophobicContact CB-CD2 4.46Å; D391-L420 HydrophobicContact CB-CG 4.3Å; V394-L420 HydrophobicContact CG2-CD1 3.69Å; E395-L420 HydrophobicContact CB-CD1 4.26Å; E395-L420 HydrophobicContact CB-CD2 3.98Å; E395-L420 HydrophobicContact CG-CD2 3.97Å; V398-L420 HydrophobicContact CB-CD1 4.45Å; V398-L420 HydrophobicContact CG1-CB 4.02Å; V398-L420 HydrophobicContact CG2-CD1 4.12Å; Y417-L420 HydrophobicContact CD1-CD1 4.24Å; Y417-L420 HydrophobicContact CG-CD1 4.33Å; Y417-L420 PolarHBondContact O-N 3.42Å; Y417-L420 VanDerWaalsContact O-N 3.14Å; L420-K423 PolarHBondContact O-N 3.3Å; L420-H424 WeakPolarHBondContact O-CB 3.41Å; L420-H424 PolarHBondContact O-CD2 3.11Å; L420-H424 PolarHBondContact O-N 3.03Å
421	A	92.8	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-44.3	175.2	0	0	0	0	0	111.5	I414 Y417 W418 Q425 A426 V429 L449	I414-A421 HydrophobicContact CB-CB 4.15Å; I414-A421 HydrophobicContact CG1-CB 4.4Å; Y417-A421 PolarHBondContact O-N 3.22Å; W418-A421 PolarHBondContact O-N 3.16Å; A421-Q425 CarbonylContact O-C 3.53Å; A421-Q425 WeakPolarHBondContact O-CA 3.49Å; A421-Q425 PolarHBondContact O-N 3.42Å; A421-A426 HydrophobicContact CB-CB 3.93Å; A421-A426 PolarHBondContact O-N 2.87Å; A421-V429 HydrophobicContact CB-CB 4.3Å; A421-L449 HydrophobicContact CB-CD2 3.5Å; A421-L449 VanDerWaalsContact CB-CD2 3.5Å
422	I	92.5	Very high	92.5	Very high	44 Å²	44	35 Å²	35	23%	0.226	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-52.4	173	-69	171.7	0	0	0	110.7	W418 R419 H424 Q425 A443 I444 A447 L449	W418-I422 HydrophobicContact CE3-CD1 3.74Å; W418-I422 HydrophobicContact CZ3-CD1 4.06Å; W418-I422 WeakPolarHBondContact O-CG1 3.43Å; W418-I422 PolarHBondContact O-N 3.35Å; R419-I422 PolarHBondContact O-N 3.5Å; I422-H424 PolarHBondContact O-N 3.36Å; I422-Q425 PolarHBondContact O-N 3.14Å; I422-Q425 VanDerWaalsContact O-N 3.11Å; I422-A443 HydrophobicContact CD1-CB 3.84Å; I422-I444 HydrophobicContact CD1-CG1 4.03Å; I422-A447 HydrophobicContact CB-CB 4.36Å; I422-A447 HydrophobicContact CG1-CB 3.98Å; I422-A447 HydrophobicContact CG2-CB 3.89Å; I422-L449 HydrophobicContact CG1-CD1 3.98Å
423	K	94.3	Very high	92.2	Very high	131 Å²	131	36.4 Å²	36.4	57%	0.57	17%	0.167	S	C	*	.	H	α-helix	trans	-54.2	-39.4	-177.2	-177.2	179.3	-179.9	-175.1	0	112.3	E395 R419 L420	E395-K423 WeakPolarHBondContact OE1-CD 3.44Å; E395-K423 WeakPolarHBondContact OE1-CE 3.37Å; E395-K423 IonicContact OE1-NZ 2.64Å; E395-K423 PolarHBondContact OE1-NZ 2.96Å; E395-K423 IonicContact OE2-NZ 3.37Å; E395-K423 PolarHBondContact OE2-NZ 3.28Å; R419-K423 VanDerWaalsContact O-CB 3.28Å; R419-K423 WeakPolarHBondContact O-CB 3.3Å; R419-K423 PolarHBondContact O-N 3.29Å; L420-K423 PolarHBondContact O-N 3.3Å
424	H	94	Very high	91.8	Very high	35 Å²	35	43.9 Å²	43.9	16%	0.162	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	7.3	-177.1	-63.7	-63.1	0	0	0	113.7	E395 M399 I402 R406 L420 I422	E395-H424 IonicContact OE1-CD2 3.79Å; E395-H424 IonicContact OE1-CE1 2.62Å; E395-H424 PolarHBondContact OE1-CE1 2.88Å; E395-H424 IonicContact OE1-NE2 3.81Å; E395-H424 PolarHBondContact OE1-NE2 3.4Å; M399-H424 WeakPolarHBondContact CG-CE1 3.48Å; M399-H424 WeakPolarHBondContact CG-ND1 3.41Å; M399-H424 VanDerWaalsContact CG-NE2 3.34Å; M399-H424 WeakPolarHBondContact CG-NE2 3.28Å; M399-H424 PolarHBondContact SD-CE1 3.28Å; I402-H424 HydrophobicContact CD1-CB 3.52Å; R406-H424 PolarHBondContact NH2-O 3.31Å; L420-H424 WeakPolarHBondContact O-CB 3.41Å; L420-H424 PolarHBondContact O-CD2 3.11Å; L420-H424 PolarHBondContact O-N 3.03Å; I422-H424 PolarHBondContact O-N 3.36Å
425	Q	90.9	Very high	91.3	Very high	138 Å²	138	46.4 Å²	46.4	65%	0.645	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	57.8	179.4	-60.7	176.3	-38.2	0	0	113.1	R406 A421 I422	R406-Q425 VanDerWaalsContact NH2-CB 3.32Å; R406-Q425 PolarHBondContact NH2-O 3.45Å; A421-Q425 CarbonylContact O-C 3.53Å; A421-Q425 WeakPolarHBondContact O-CA 3.49Å; A421-Q425 PolarHBondContact O-N 3.42Å; I422-Q425 PolarHBondContact O-N 3.14Å; I422-Q425 VanDerWaalsContact O-N 3.11Å
426	A	91.5	Very high	90.9	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	22%	0.217	C	C	.	.			trans	-61.6	163.2	173	0	0	0	0	0	111.7	I402 I414 A421 G428 L449	I402-A426 HydrophobicContact CD1-CB 3.69Å; I402-A426 HydrophobicContact CG1-CB 3.89Å; I414-A426 HydrophobicContact CG1-CB 3.85Å; A421-A426 HydrophobicContact CB-CB 3.93Å; A421-A426 PolarHBondContact O-N 2.87Å; A426-G428 VanDerWaalsContact C-N 3.31Å; A426-G428 PolarHBondContact O-N 3.26Å; A426-L449 HydrophobicContact CB-CD2 4.02Å
427	Y	91.6	Very high	90.5	Very high	79 Å²	79	53.1 Å²	53.1	31%	0.31	25%	0.245	S	C	.	.	S	Bend	trans	-64.3	-38.8	173.4	174.5	-92.3	0	0	0	111.7	R411 L412 F413 R450	R411-Y427 HydrophobicContact CB-CD1 3.73Å; R411-Y427 HydrophobicContact CB-CD2 4.39Å; R411-Y427 HydrophobicContact CB-CE1 3.58Å; R411-Y427 HydrophobicContact CB-CE2 4.25Å; R411-Y427 HydrophobicContact CB-CG 4.16Å; R411-Y427 WeakPolarHBondContact CD-OH 3.48Å; R411-Y427 HydrophobicContact CG-CD1 4.3Å; R411-Y427 HydrophobicContact CG-CD2 4.23Å; R411-Y427 HydrophobicContact CG-CE1 3.83Å; R411-Y427 HydrophobicContact CG-CE2 3.75Å; R411-Y427 HydrophobicContact CG-CG 4.49Å; L412-Y427 WeakPolarHBondContact O-CB 3.48Å; F413-Y427 HydrophobicContact CD2-CD1 4.27Å; F413-Y427 HydrophobicContact CE1-CD1 4.32Å; F413-Y427 HydrophobicContact CE1-CE1 4.34Å; F413-Y427 AromaticContact CE2-CD1 3.75Å; F413-Y427 HydrophobicContact CE2-CD1 3.75Å; F413-Y427 AromaticContact CE2-CE1 3.61Å; F413-Y427 HydrophobicContact CE2-CE1 3.61Å; F413-Y427 AromaticContact CZ-CD1 3.79Å; F413-Y427 HydrophobicContact CZ-CD1 3.79Å; F413-Y427 AromaticContact CZ-CE1 3.49Å; F413-Y427 HydrophobicContact CZ-CE1 3.49Å; F413-Y427 VanDerWaalsContact CZ-CE1 3.49Å; Y427-R450 HydrophobicContact CE1-CB 4.48Å; Y427-R450 HydrophobicContact CE1-CG 4.03Å; Y427-R450 PolarHBondContact O-N 3.49Å
428	G	92.9	Very high	90.1	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	172.2	175.7	0	0	0	0	0	113.1	F413 I414 A426 R450	F413-G428 WeakPolarHBondContact CA-O 3.17Å; I414-G428 PolarHBondContact N-O 2.8Å; A426-G428 VanDerWaalsContact C-N 3.31Å; A426-G428 PolarHBondContact O-N 3.26Å; G428-R450 CarbonylContact C-O 3.47Å; G428-R450 WeakPolarHBondContact CA-O 3.4Å
429	V	94.4	Very high	89.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143	173.6	65.1	0	0	0	0	109.4	I414 W418 A421 L431 I444 R450 L451 G452	I414-V429 VanDerWaalsContact O-CA 3.25Å; I414-V429 WeakPolarHBondContact O-CA 3.21Å; I414-V429 VanDerWaalsContact O-CG2 3.26Å; I414-V429 WeakPolarHBondContact O-CG2 3.49Å; W418-V429 HydrophobicContact CB-CG2 3.8Å; A421-V429 HydrophobicContact CB-CB 4.3Å; V429-L431 HydrophobicContact CG2-CD2 3.86Å; V429-L431 HydrophobicContact CG2-CG 4.24Å; V429-I444 HydrophobicContact CG1-CD1 3.78Å; V429-I444 HydrophobicContact CG1-CG1 4.3Å; V429-I444 HydrophobicContact CG1-CG2 3.9Å; V429-R450 PolarHBondContact N-O 2.95Å; V429-L451 HydrophobicContact CG1-CD1 3.93Å; V429-L451 CarbonylContact O-C 3.51Å; V429-L451 WeakPolarHBondContact O-CA 3.19Å; V429-G452 PolarHBondContact O-N 3.39Å
430	H	93.6	Very high	89.6	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.019	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.2	170.6	-170.1	94.5	0	0	0	108.9	Q383 I414 N415 D416 G452 S454 Y471	Q383-H430 PolarHBondContact NE2-CD2 2.83Å; I414-H430 PolarHBondContact O-N 3.45Å; N415-H430 WeakPolarHBondContact CA-O 3.47Å; N415-H430 WeakPolarHBondContact OD1-CB 3.42Å; N415-H430 PolarHBondContact OD1-CD2 3.38Å; N415-H430 VanDerWaalsContact OD1-CD2 3.31Å; N415-H430 PolarHBondContact OD1-O 3.21Å; D416-H430 PolarHBondContact N-O 3.3Å; H430-G452 CarbonylContact C-O 3.58Å; H430-G452 WeakPolarHBondContact CA-O 3.09Å; H430-S454 PolarHBondContact NE2-OG 2.97Å; H430-Y471 AromaticContact CE1-CE2 3.97Å; H430-Y471 AromaticContact ND1-CE2 3.83Å; H430-Y471 AromaticContact ND1-CZ 3.42Å; H430-Y471 PolarHBondContact ND1-OH 2.84Å
431	L	92.1	Very high	89.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.9	-176.9	-60.2	177.9	0	0	0	111.2	W418 V429 D435 L436 T439 I444 L451 G452 V453 S454	W418-L431 HydrophobicContact CB-CD2 4.43Å; V429-L431 HydrophobicContact CG2-CD2 3.86Å; V429-L431 HydrophobicContact CG2-CG 4.24Å; L431-D435 HydrophobicContact CB-CB 4.34Å; L431-D435 HydrophobicContact CD2-CB 4.23Å; L431-L436 HydrophobicContact CD1-CD2 4.35Å; L431-T439 HydrophobicContact CD1-CG2 3.75Å; L431-I444 HydrophobicContact CD1-CD1 4.11Å; L431-L451 HydrophobicContact CB-CD1 4.42Å; L431-L451 HydrophobicContact CD1-CD1 3.62Å; L431-L451 HydrophobicContact CG-CD1 3.91Å; L431-G452 PolarHBondContact N-O 3.47Å; L431-V453 WeakPolarHBondContact O-CA 3.26Å; L431-S454 PolarHBondContact O-N 2.87Å; L431-S454 VanDerWaalsContact O-N 3.1Å
432	G	88.3	Confident	89.2	Confident	20 Å²	20	58 Å²	58	21%	0.206	30%	0.297	C	S	.	.			trans	-79.7	171.5	163.5	0	0	0	0	0	112.4	E434 D435 L436	G432-E434 VanDerWaalsContact C-N 3.3Å; G432-E434 PolarHBondContact O-N 3.23Å; G432-D435 PolarHBondContact O-N 3.42Å; G432-L436 PolarHBondContact O-N 3.28Å
433	Q	85.6	Confident	89.1	Confident	33 Å²	33	57.3 Å²	57.3	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-38.2	175.8	-68.9	-68.7	-38.3	0	0	112.9	D435 L436 S454 E460	Q433-D435 VanDerWaalsContact C-N 3.29Å; Q433-D435 PolarHBondContact O-N 3.06Å; Q433-L436 PolarHBondContact O-N 3.37Å; Q433-S454 PolarHBondContact NE2-O 3.23Å; Q433-E460 HydrophobicContact CG-CB 4.08Å; Q433-E460 VanDerWaalsContact CG-CD 3.49Å; Q433-E460 HydrophobicContact CG-CG 3.75Å; Q433-E460 WeakPolarHBondContact CG-OE2 2.96Å; Q433-E460 PolarHBondContact NE2-O 2.75Å
434	E	83.9	Confident	88.9	Confident	171 Å²	171	51.1 Å²	51.1	80%	0.799	27%	0.27	S	S	*	.	H	α-helix	trans	-65.6	-33.6	-178.2	-58.3	179.2	-157.3	0	0	111.9	G432	G432-E434 VanDerWaalsContact C-N 3.3Å; G432-E434 PolarHBondContact O-N 3.23Å
435	D	84.5	Confident	88.6	Confident	53 Å²	53	54.8 Å²	54.8	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-79.8	-23.4	-178.5	-57.7	-57.2	0	0	0	112.7	L431 G432 Q433 Q437 T438 T439	L431-D435 HydrophobicContact CB-CB 4.34Å; L431-D435 HydrophobicContact CD2-CB 4.23Å; G432-D435 PolarHBondContact O-N 3.42Å; Q433-D435 VanDerWaalsContact C-N 3.29Å; Q433-D435 PolarHBondContact O-N 3.06Å; D435-Q437 PolarHBondContact O-N 3.13Å; D435-T438 PolarHBondContact O-N 2.66Å; D435-T438 PolarHBondContact O-OG1 3.11Å; D435-T439 WeakPolarHBondContact O-CB 3.44Å; D435-T439 PolarHBondContact O-N 3.18Å; D435-T439 PolarHBondContact O-OG1 3.27Å
436	L	84.4	Confident	88.3	Confident	17 Å²	17	52.5 Å²	52.5	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-33.4	-179.7	-78.8	177.5	0	0	0	113.1	L431 G432 Q433 L441 V453 V463 A467	L431-L436 HydrophobicContact CD1-CD2 4.35Å; G432-L436 PolarHBondContact O-N 3.28Å; Q433-L436 PolarHBondContact O-N 3.37Å; L436-L441 HydrophobicContact CD2-CD2 3.89Å; L436-V453 HydrophobicContact CD1-CG1 3.74Å; L436-V453 HydrophobicContact CD1-CG2 4.24Å; L436-V453 HydrophobicContact CD2-CG2 3.86Å; L436-V453 HydrophobicContact CG-CG1 4.49Å; L436-V453 HydrophobicContact CG-CG2 4.43Å; L436-V463 HydrophobicContact CD1-CG1 4.17Å; L436-A467 HydrophobicContact CD1-CB 4.43Å; L436-A467 HydrophobicContact CD2-CB 3.96Å
437	Q	81.4	Confident	88.2	Confident	179 Å²	179	54 Å²	54	84%	0.836	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-30.2	-178.2	-66.7	-175.5	-5.1	0	0	113.2	D435	D435-Q437 PolarHBondContact O-N 3.13Å
438	T	82.8	Confident	88.1	Confident	102 Å²	102	52.8 Å²	52.8	63%	0.626	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-8.3	-176.7	63	0	0	0	0	113.2	D435	D435-T438 PolarHBondContact O-N 2.66Å; D435-T438 PolarHBondContact O-OG1 3.11Å
439	T	86.3	Confident	88	Confident	12 Å²	12	53.3 Å²	53.3	7%	0.074	31%	0.314	C	S	.	.	S	Bend	trans	-87.4	135.1	-178.5	-63.4	0	0	0	0	111.7	W418 L431 D435 L441 I444	W418-T439 HydrophobicContact CB-CG2 4.35Å; W418-T439 HydrophobicContact CD2-CG2 3.78Å; W418-T439 HydrophobicContact CE3-CG2 4.38Å; W418-T439 HydrophobicContact CG-CG2 3.76Å; W418-T439 HydrophobicContact CZ2-CG2 4.45Å; W418-T439 PolarHBondContact NE1-OG1 3.35Å; L431-T439 HydrophobicContact CD1-CG2 3.75Å; D435-T439 WeakPolarHBondContact O-CB 3.44Å; D435-T439 PolarHBondContact O-N 3.18Å; D435-T439 PolarHBondContact O-OG1 3.27Å; T439-L441 HydrophobicContact CG2-CD2 4.25Å; T439-L441 PolarHBondContact O-N 3.33Å; T439-I444 HydrophobicContact CG2-CD1 3.34Å; T439-I444 HydrophobicContact CG2-CG1 4.34Å
440	D	90.4	Very high	87.9	Confident	74 Å²	74	56.5 Å²	56.5	40%	0.396	33%	0.326	S	S	.	.			trans	-76.7	87.4	170	-171.9	-13.5	0	0	0	110.3	W418 S442 A443 I444	W418-D440 HydrophobicContact CH2-CB 3.85Å; W418-D440 HydrophobicContact CZ3-CB 4.07Å; D440-S442 PolarHBondContact O-N 3.45Å; D440-S442 WeakPolarHBondContact OD1-CA 3.35Å; D440-S442 WeakPolarHBondContact OD1-CB 3.41Å; D440-S442 PolarHBondContact OD1-N 3.28Å; D440-S442 PolarHBondContact OD1-OG 2.63Å; D440-A443 HydrophobicContact CB-CB 3.89Å; D440-A443 PolarHBondContact O-N 3.24Å; D440-A443 VanDerWaalsContact O-N 3.15Å; D440-A443 PolarHBondContact OD1-N 2.99Å; D440-I444 PolarHBondContact O-N 3.47Å
441	L	89.8	Confident	87.9	Confident	38 Å²	38	56.7 Å²	56.7	20%	0.199	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-27.8	177.5	-61	179.3	0	0	0	112.2	L436 T439 I444 R445 L451 A467	L436-L441 HydrophobicContact CD2-CD2 3.89Å; T439-L441 HydrophobicContact CG2-CD2 4.25Å; T439-L441 PolarHBondContact O-N 3.33Å; L441-I444 HydrophobicContact CD2-CD1 4.49Å; L441-R445 WeakPolarHBondContact O-CG 3.39Å; L441-R445 PolarHBondContact O-N 3.3Å; L441-R445 VanDerWaalsContact O-N 3.14Å; L441-L451 HydrophobicContact CD2-CD2 3.83Å; L441-A467 HydrophobicContact CD1-CB 3.79Å
442	S	87.1	Confident	87.9	Confident	80 Å²	80	56.7 Å²	56.7	56%	0.559	33%	0.327	S	S	*	.	H	α-helix	trans	-71	-38.9	177.8	78.7	0	0	0	0	111.2	D440 R445 A446	D440-S442 PolarHBondContact O-N 3.45Å; D440-S442 WeakPolarHBondContact OD1-CA 3.35Å; D440-S442 WeakPolarHBondContact OD1-CB 3.41Å; D440-S442 PolarHBondContact OD1-N 3.28Å; D440-S442 PolarHBondContact OD1-OG 2.63Å; S442-R445 PolarHBondContact O-N 3.36Å; S442-A446 VanDerWaalsContact O-CB 3.25Å; S442-A446 WeakPolarHBondContact O-CB 3.14Å; S442-A446 PolarHBondContact O-N 3.4Å
443	A	90.7	Very high	88.1	Confident	29 Å²	29	55.8 Å²	55.8	24%	0.24	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-40.4	174.3	0	0	0	0	0	112.5	I422 D440 A446 A447	I422-A443 HydrophobicContact CD1-CB 3.84Å; D440-A443 HydrophobicContact CB-CB 3.89Å; D440-A443 PolarHBondContact O-N 3.24Å; D440-A443 VanDerWaalsContact O-N 3.15Å; D440-A443 PolarHBondContact OD1-N 2.99Å; A443-A446 PolarHBondContact O-N 2.88Å; A443-A447 VanDerWaalsContact O-CB 3.31Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.29Å
444	I	90.8	Very high	88.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-47.7	175.1	-67.4	171.4	0	0	0	110.5	W418 I422 V429 L431 T439 D440 L441 A447 G448 L449 L451	W418-I444 HydrophobicContact CB-CD1 4Å; W418-I444 HydrophobicContact CB-CG1 4.38Å; I422-I444 HydrophobicContact CD1-CG1 4.03Å; V429-I444 HydrophobicContact CG1-CD1 3.78Å; V429-I444 HydrophobicContact CG1-CG1 4.3Å; V429-I444 HydrophobicContact CG1-CG2 3.9Å; L431-I444 HydrophobicContact CD1-CD1 4.11Å; T439-I444 HydrophobicContact CG2-CD1 3.34Å; T439-I444 HydrophobicContact CG2-CG1 4.34Å; D440-I444 PolarHBondContact O-N 3.47Å; L441-I444 HydrophobicContact CD2-CD1 4.49Å; I444-A447 PolarHBondContact O-N 2.87Å; I444-G448 PolarHBondContact O-N 3.42Å; I444-L449 HydrophobicContact CG2-CB 3.91Å; I444-L449 PolarHBondContact O-N 2.91Å; I444-L451 HydrophobicContact CG2-CB 4.49Å
445	R	87	Confident	88.6	Confident	111 Å²	111	46.9 Å²	46.9	42%	0.419	28%	0.278	S	S	.	.	H	α-helix	trans	-65.2	-43.3	178.6	-71.3	179.5	-170.1	161.2	8.3	112	L441 S442 A447 G448 A467	L441-R445 WeakPolarHBondContact O-CG 3.39Å; L441-R445 PolarHBondContact O-N 3.3Å; L441-R445 VanDerWaalsContact O-N 3.14Å; S442-R445 PolarHBondContact O-N 3.36Å; R445-A447 PolarHBondContact O-N 3.19Å; R445-G448 PolarHBondContact O-N 2.94Å; R445-A467 PolarHBondContact NH2-O 3.2Å
446	A	85.8	Confident	88.7	Confident	90 Å²	90	46.3 Å²	46.3	74%	0.744	27%	0.273	S	S	*	.	H	α-helix	trans	-63.4	-31	178.1	0	0	0	0	0	112.4	S442 A443 G448	S442-A446 VanDerWaalsContact O-CB 3.25Å; S442-A446 WeakPolarHBondContact O-CB 3.14Å; S442-A446 PolarHBondContact O-N 3.4Å; A443-A446 PolarHBondContact O-N 2.88Å; A446-G448 VanDerWaalsContact C-N 3.28Å
447	A	89.6	Confident	88.8	Confident	41 Å²	41	48.9 Å²	48.9	34%	0.339	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.8	175	0	0	0	0	0	113.7	I422 A443 I444 R445 L449	I422-A447 HydrophobicContact CB-CB 4.36Å; I422-A447 HydrophobicContact CG1-CB 3.98Å; I422-A447 HydrophobicContact CG2-CB 3.89Å; A443-A447 VanDerWaalsContact O-CB 3.31Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.29Å; I444-A447 PolarHBondContact O-N 2.87Å; R445-A447 PolarHBondContact O-N 3.19Å; A447-L449 VanDerWaalsContact C-N 3.31Å; A447-L449 HydrophobicContact CB-CD1 3.29Å; A447-L449 PolarHBondContact O-N 3.11Å
448	G	88.1	Confident	89.1	Confident	53 Å²	53	43.1 Å²	43.1	55%	0.546	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	16.1	178.4	0	0	0	0	0	114.7	I444 R445 A446	I444-G448 PolarHBondContact O-N 3.42Å; R445-G448 PolarHBondContact O-N 2.94Å; A446-G448 VanDerWaalsContact C-N 3.28Å
449	L	92	Very high	89.3	Confident	11 Å²	11	45.1 Å²	45.1	6%	0.058	27%	0.266	C	S	.	.			trans	-78	138.4	179.3	-77.5	91.1	0	0	0	111.1	A421 I422 A426 I444 A447	A421-L449 HydrophobicContact CB-CD2 3.5Å; A421-L449 VanDerWaalsContact CB-CD2 3.5Å; I422-L449 HydrophobicContact CG1-CD1 3.98Å; A426-L449 HydrophobicContact CB-CD2 4.02Å; I444-L449 HydrophobicContact CG2-CB 3.91Å; I444-L449 PolarHBondContact O-N 2.91Å; A447-L449 VanDerWaalsContact C-N 3.31Å; A447-L449 HydrophobicContact CB-CD1 3.29Å; A447-L449 PolarHBondContact O-N 3.11Å
450	R	92	Very high	89.5	Confident	67 Å²	67	46.8 Å²	46.8	25%	0.253	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.4	168.5	-59.4	-62.6	-173.7	169.2	1.9	110.2	F413 Y427 G428 V429 S470 D541	F413-R450 HydrophobicContact CE1-CB 3.77Å; F413-R450 HydrophobicContact CZ-CB 4.14Å; Y427-R450 HydrophobicContact CE1-CB 4.48Å; Y427-R450 HydrophobicContact CE1-CG 4.03Å; Y427-R450 PolarHBondContact O-N 3.49Å; G428-R450 CarbonylContact C-O 3.47Å; G428-R450 WeakPolarHBondContact CA-O 3.4Å; V429-R450 PolarHBondContact N-O 2.95Å; R450-S470 WeakPolarHBondContact CA-OG 3.48Å; R450-S470 WeakPolarHBondContact CD-OG 3.27Å; R450-D541 IonicContact CZ-OD1 3.73Å; R450-D541 IonicContact CZ-OD2 3.36Å; R450-D541 VanDerWaalsContact CZ-OD2 3.29Å; R450-D541 IonicContact NE-OD2 3.33Å; R450-D541 IonicContact NH1-OD1 2.97Å; R450-D541 PolarHBondContact NH1-OD1 3.4Å; R450-D541 IonicContact NH1-OD2 3.18Å; R450-D541 PolarHBondContact NH1-OD2 3.05Å; R450-D541 IonicContact NH2-OD1 3.47Å; R450-D541 PolarHBondContact NH2-OD1 3.25Å; R450-D541 IonicContact NH2-OD2 2.7Å; R450-D541 PolarHBondContact NH2-OD2 3.04Å
451	L	93.5	Very high	89.4	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.1	178.6	174.8	62.4	0	0	0	110.3	V429 L431 L441 I444 V453 P469 S470 Y471	V429-L451 HydrophobicContact CG1-CD1 3.93Å; V429-L451 CarbonylContact O-C 3.51Å; V429-L451 WeakPolarHBondContact O-CA 3.19Å; L431-L451 HydrophobicContact CB-CD1 4.42Å; L431-L451 HydrophobicContact CD1-CD1 3.62Å; L431-L451 HydrophobicContact CG-CD1 3.91Å; L441-L451 HydrophobicContact CD2-CD2 3.83Å; I444-L451 HydrophobicContact CG2-CB 4.49Å; L451-V453 HydrophobicContact CD1-CG2 4.26Å; L451-V453 HydrophobicContact CD2-CG2 4.26Å; L451-V453 HydrophobicContact CG-CG2 4.04Å; L451-P469 HydrophobicContact CB-CB 4.44Å; L451-P469 HydrophobicContact CD2-CB 4.3Å; L451-P469 HydrophobicContact CG-CB 4.07Å; L451-P469 CarbonylContact O-C 3.58Å; L451-P469 WeakPolarHBondContact O-CA 3.23Å; L451-P469 VanDerWaalsContact O-CB 3.25Å; L451-P469 WeakPolarHBondContact O-CB 3.46Å; L451-S470 PolarHBondContact N-OG 3.03Å; L451-S470 VanDerWaalsContact N-OG 3.11Å; L451-S470 WeakPolarHBondContact O-CA 3.45Å; L451-S470 PolarHBondContact O-N 3.28Å; L451-Y471 PolarHBondContact O-N 3Å
452	G	91.6	Very high	89.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.4	166.3	0	0	0	0	0	110.8	V429 H430 L431	V429-G452 PolarHBondContact O-N 3.39Å; H430-G452 CarbonylContact C-O 3.58Å; H430-G452 WeakPolarHBondContact CA-O 3.09Å; L431-G452 PolarHBondContact N-O 3.47Å
453	V	92.9	Very high	89.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.2	177.2	174.6	0	0	0	0	110.2	L431 L436 L451 T455 A464 P469 Y471 A473	L431-V453 WeakPolarHBondContact O-CA 3.26Å; L436-V453 HydrophobicContact CD1-CG1 3.74Å; L436-V453 HydrophobicContact CD1-CG2 4.24Å; L436-V453 HydrophobicContact CD2-CG2 3.86Å; L436-V453 HydrophobicContact CG-CG1 4.49Å; L436-V453 HydrophobicContact CG-CG2 4.43Å; L451-V453 HydrophobicContact CD1-CG2 4.26Å; L451-V453 HydrophobicContact CD2-CG2 4.26Å; L451-V453 HydrophobicContact CG-CG2 4.04Å; V453-T455 HydrophobicContact CG1-CG2 4.32Å; V453-A464 HydrophobicContact CB-CB 4.09Å; V453-A464 HydrophobicContact CG1-CB 3.58Å; V453-P469 HydrophobicContact CB-CB 4.28Å; V453-P469 HydrophobicContact CB-CG 4.34Å; V453-P469 HydrophobicContact CG2-CB 3.83Å; V453-P469 HydrophobicContact CG2-CG 4.2Å; V453-Y471 PolarHBondContact N-O 3.39Å; V453-A473 PolarHBondContact O-N 2.92Å
454	S	90.4	Very high	89.4	Confident	17 Å²	17	43.4 Å²	43.4	12%	0.119	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.9	171.8	-75.7	0	0	0	0	112	H430 L431 Q433 A473 I510	H430-S454 PolarHBondContact NE2-OG 2.97Å; L431-S454 PolarHBondContact O-N 2.87Å; L431-S454 VanDerWaalsContact O-N 3.1Å; Q433-S454 PolarHBondContact NE2-O 3.23Å; S454-A473 WeakPolarHBondContact CA-O 3.49Å; S454-I510 WeakPolarHBondContact OG-CD1 3.47Å
455	T	89	Confident	89.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.5	176	65.5	0	0	0	0	111.4	V453 E460 I461 A464 I472 A473 L474 G475 Q490	V453-T455 HydrophobicContact CG1-CG2 4.32Å; T455-E460 VanDerWaalsContact CA-OE2 3.31Å; T455-E460 WeakPolarHBondContact CA-OE2 3.3Å; T455-E460 HydrophobicContact CG2-CB 4.25Å; T455-E460 WeakPolarHBondContact CG2-O 3.45Å; T455-I461 HydrophobicContact CG2-CG1 4.21Å; T455-A464 HydrophobicContact CG2-CB 3.5Å; T455-A464 VanDerWaalsContact CG2-CB 3.5Å; T455-I472 HydrophobicContact CG2-CG2 3.68Å; T455-I472 VanDerWaalsContact OG1-CG2 3.22Å; T455-I472 WeakPolarHBondContact OG1-CG2 3.34Å; T455-A473 PolarHBondContact N-O 3.45Å; T455-L474 WeakPolarHBondContact OG1-CD2 3.43Å; T455-G475 PolarHBondContact O-N 2.84Å; T455-Q490 PolarHBondContact O-NE2 3.14Å
456	H	87.4	Confident	89.3	Confident	42 Å²	42	44.6 Å²	44.6	19%	0.194	27%	0.272	C	S	.	.			trans	-119.2	-20.6	-174.3	-55	79.3	0	0	0	113.3	E460 G475 Q490	H456-E460 WeakPolarHBondContact CB-OE2 3.34Å; H456-E460 IonicContact CE1-OE2 2.97Å; H456-E460 IonicContact CG-OE2 3.34Å; H456-E460 PolarHBondContact N-OE2 3.03Å; H456-E460 IonicContact ND1-OE1 2.8Å; H456-E460 IonicContact ND1-OE2 3.44Å; H456-E460 PolarHBondContact ND1-OE2 2.68Å; H456-G475 WeakPolarHBondContact CA-O 3.38Å; H456-G475 PolarHBondContact CD2-O 3.26Å; H456-Q490 PolarHBondContact O-NE2 3.05Å
457	D	86.2	Confident	89.3	Confident	71 Å²	71	40.6 Å²	40.6	38%	0.38	24%	0.24	S	C	.	.	S	Bend	trans	-148.6	177.9	179	64	41.5	0	0	0	112	M459 E460 I461	D457-M459 VanDerWaalsContact C-N 3.28Å; D457-M459 PolarHBondContact O-N 2.9Å; D457-M459 WeakPolarHBondContact OD1-CA 3.48Å; D457-M459 WeakPolarHBondContact OD1-CB 3.41Å; D457-M459 PolarHBondContact OD1-N 3.5Å; D457-E460 PolarHBondContact O-N 2.87Å; D457-E460 PolarHBondContact OD1-N 2.92Å; D457-I461 WeakPolarHBondContact O-CG1 3.38Å; D457-I461 PolarHBondContact O-N 2.93Å
458	D	86.6	Confident	89.3	Confident	57 Å²	57	47.1 Å²	47.1	31%	0.305	26%	0.255	S	S	.	.	H	α-helix	trans	-58.4	-33	179.9	-86	-29.4	0	0	0	114	D462 H498 R501	D458-D462 PolarHBondContact O-N 3.35Å; D458-H498 IonicContact OD1-CD2 3.09Å; D458-H498 PolarHBondContact OD1-CD2 3.15Å; D458-H498 IonicContact OD1-NE2 2.63Å; D458-R501 PolarHBondContact O-NH1 3.2Å; D458-R501 PolarHBondContact O-NH2 3.46Å; D458-R501 IonicContact OD1-CZ 3.29Å; D458-R501 IonicContact OD1-NH1 2.76Å; D458-R501 PolarHBondContact OD1-NH1 2.98Å; D458-R501 IonicContact OD2-NH1 2.92Å
459	M	87.5	Confident	89.4	Confident	144 Å²	144	44.9 Å²	44.9	71%	0.709	23%	0.232	S	C	*	.	H	α-helix	trans	-77.7	-43.3	-179.7	-173.3	-169.5	-57.8	0	0	110.7	D457 I461 D462 V463	D457-M459 VanDerWaalsContact C-N 3.28Å; D457-M459 PolarHBondContact O-N 2.9Å; D457-M459 WeakPolarHBondContact OD1-CA 3.48Å; D457-M459 WeakPolarHBondContact OD1-CB 3.41Å; D457-M459 PolarHBondContact OD1-N 3.5Å; M459-I461 PolarHBondContact O-N 2.84Å; M459-D462 PolarHBondContact O-N 3.37Å; M459-D462 VanDerWaalsContact O-N 3.14Å; M459-V463 WeakPolarHBondContact O-CG2 3.46Å; M459-V463 PolarHBondContact O-N 3.24Å
460	E	90.6	Very high	89.2	Confident	47 Å²	47	46.3 Å²	46.3	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-32.6	174.4	-70.5	-169.9	179.1	0	0	111.8	Q433 T455 H456 D457 A464	Q433-E460 HydrophobicContact CG-CB 4.08Å; Q433-E460 VanDerWaalsContact CG-CD 3.49Å; Q433-E460 HydrophobicContact CG-CG 3.75Å; Q433-E460 WeakPolarHBondContact CG-OE2 2.96Å; Q433-E460 PolarHBondContact NE2-O 2.75Å; T455-E460 VanDerWaalsContact CA-OE2 3.31Å; T455-E460 WeakPolarHBondContact CA-OE2 3.3Å; T455-E460 HydrophobicContact CG2-CB 4.25Å; T455-E460 WeakPolarHBondContact CG2-O 3.45Å; H456-E460 WeakPolarHBondContact CB-OE2 3.34Å; H456-E460 IonicContact CE1-OE2 2.97Å; H456-E460 IonicContact CG-OE2 3.34Å; H456-E460 PolarHBondContact N-OE2 3.03Å; H456-E460 IonicContact ND1-OE1 2.8Å; H456-E460 IonicContact ND1-OE2 3.44Å; H456-E460 PolarHBondContact ND1-OE2 2.68Å; D457-E460 PolarHBondContact O-N 2.87Å; D457-E460 PolarHBondContact OD1-N 2.92Å; E460-A464 VanDerWaalsContact O-CB 3.29Å; E460-A464 WeakPolarHBondContact O-CB 3.32Å; E460-A464 PolarHBondContact O-N 3.17Å
461	I	89.5	Confident	89.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-45.8	171.5	-74.4	169.3	0	0	0	111.2	T455 D457 M459 A464 L465 L474 H498 L502	T455-I461 HydrophobicContact CG2-CG1 4.21Å; D457-I461 WeakPolarHBondContact O-CG1 3.38Å; D457-I461 PolarHBondContact O-N 2.93Å; M459-I461 PolarHBondContact O-N 2.84Å; I461-A464 PolarHBondContact O-N 2.96Å; I461-L465 HydrophobicContact CG2-CD1 3.89Å; I461-L465 HydrophobicContact CG2-CG 4.34Å; I461-L465 WeakPolarHBondContact O-CB 3.2Å; I461-L465 WeakPolarHBondContact O-CG 3.36Å; I461-L465 PolarHBondContact O-N 2.88Å; I461-L474 HydrophobicContact CD1-CD2 3.99Å; I461-L474 HydrophobicContact CG1-CD2 4.31Å; I461-H498 HydrophobicContact CD1-CB 3.85Å; I461-L502 HydrophobicContact CD1-CD1 4.39Å; I461-L502 HydrophobicContact CG2-CD2 3.76Å; I461-L502 HydrophobicContact CG2-CG 4.22Å
462	D	88.9	Confident	89	Confident	80 Å²	80	43.5 Å²	43.5	43%	0.428	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-41.9	178.3	-69.2	-34.3	0	0	0	112	D458 M459 A464 L465 A466 R501	D458-D462 PolarHBondContact O-N 3.35Å; M459-D462 PolarHBondContact O-N 3.37Å; M459-D462 VanDerWaalsContact O-N 3.14Å; D462-A464 VanDerWaalsContact C-N 3.34Å; D462-A464 PolarHBondContact O-N 3.35Å; D462-L465 PolarHBondContact O-N 2.84Å; D462-A466 PolarHBondContact O-N 3.44Å; D462-R501 IonicContact OD1-CZ 3.42Å; D462-R501 IonicContact OD1-NH2 3.93Å; D462-R501 PolarHBondContact OD1-NH2 2.98Å; D462-R501 IonicContact OD2-CZ 2.87Å; D462-R501 IonicContact OD2-NH2 3.19Å; D462-R501 PolarHBondContact OD2-NH2 2.79Å
463	V	88.1	Confident	88.9	Confident	70 Å²	70	43.5 Å²	43.5	42%	0.424	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-43.7	174.5	175.6	0	0	0	0	110.8	L436 M459 A466 A467	L436-V463 HydrophobicContact CD1-CG1 4.17Å; M459-V463 WeakPolarHBondContact O-CG2 3.46Å; M459-V463 PolarHBondContact O-N 3.24Å; V463-A466 PolarHBondContact O-N 3.37Å; V463-A467 PolarHBondContact O-N 2.97Å
464	A	89.3	Confident	88.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-47.8	176.1	0	0	0	0	0	111.3	V453 T455 E460 I461 D462 A466 A467 R468 P469 I472	V453-A464 HydrophobicContact CB-CB 4.09Å; V453-A464 HydrophobicContact CG1-CB 3.58Å; T455-A464 HydrophobicContact CG2-CB 3.5Å; T455-A464 VanDerWaalsContact CG2-CB 3.5Å; E460-A464 VanDerWaalsContact O-CB 3.29Å; E460-A464 WeakPolarHBondContact O-CB 3.32Å; E460-A464 PolarHBondContact O-N 3.17Å; I461-A464 PolarHBondContact O-N 2.96Å; D462-A464 VanDerWaalsContact C-N 3.34Å; D462-A464 PolarHBondContact O-N 3.35Å; A464-A466 VanDerWaalsContact C-N 3.26Å; A464-A466 PolarHBondContact O-N 3.38Å; A464-A467 WeakPolarHBondContact O-CA 3.2Å; A464-A467 WeakPolarHBondContact O-CB 3.22Å; A464-A467 PolarHBondContact O-N 3Å; A464-R468 PolarHBondContact O-N 2.74Å; A464-P469 WeakPolarHBondContact O-CD 3.23Å; A464-I472 HydrophobicContact CB-CD1 4.14Å; A464-I472 HydrophobicContact CB-CG1 4.19Å
465	L	89.3	Confident	88.2	Confident	58 Å²	58	42.8 Å²	42.8	30%	0.304	23%	0.226	S	C	.	.	H	α-helix	trans	-58.1	-38.4	178.8	-75	170.5	0	0	0	112.1	I461 D462 A467 R468 I472 L502 Y505	I461-L465 HydrophobicContact CG2-CD1 3.89Å; I461-L465 HydrophobicContact CG2-CG 4.34Å; I461-L465 WeakPolarHBondContact O-CB 3.2Å; I461-L465 WeakPolarHBondContact O-CG 3.36Å; I461-L465 PolarHBondContact O-N 2.88Å; D462-L465 PolarHBondContact O-N 2.84Å; L465-A467 VanDerWaalsContact C-N 3.27Å; L465-A467 PolarHBondContact O-N 2.88Å; L465-R468 PolarHBondContact O-N 3.34Å; L465-I472 HydrophobicContact CD2-CD1 3.86Å; L465-I472 HydrophobicContact CG-CD1 4.05Å; L465-L502 HydrophobicContact CD1-CD2 4.06Å; L465-L502 HydrophobicContact CD2-CD2 3.91Å; L465-L502 HydrophobicContact CG-CD2 4.18Å; L465-Y505 HydrophobicContact CD2-CD2 3.87Å; L465-Y505 HydrophobicContact CD2-CE1 4.44Å; L465-Y505 HydrophobicContact CD2-CE2 3.7Å; L465-Y505 HydrophobicContact CD2-CG 4.29Å
466	A	87.5	Confident	88	Confident	79 Å²	79	43.1 Å²	43.1	65%	0.653	23%	0.228	S	C	*	.	H	α-helix	trans	-61.5	-34.4	174.2	0	0	0	0	0	112.7	D462 V463 A464 R468	D462-A466 PolarHBondContact O-N 3.44Å; V463-A466 PolarHBondContact O-N 3.37Å; A464-A466 VanDerWaalsContact C-N 3.26Å; A464-A466 PolarHBondContact O-N 3.38Å; A466-R468 PolarHBondContact O-N 3.03Å
467	A	85.7	Confident	87.8	Confident	7 Å²	7	41.2 Å²	41.2	6%	0.058	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.5	174.1	0	0	0	0	0	113.8	L436 L441 R445 V463 A464 L465	L436-A467 HydrophobicContact CD1-CB 4.43Å; L436-A467 HydrophobicContact CD2-CB 3.96Å; L441-A467 HydrophobicContact CD1-CB 3.79Å; R445-A467 PolarHBondContact NH2-O 3.2Å; V463-A467 PolarHBondContact O-N 2.97Å; A464-A467 WeakPolarHBondContact O-CA 3.2Å; A464-A467 WeakPolarHBondContact O-CB 3.22Å; A464-A467 PolarHBondContact O-N 3Å; L465-A467 VanDerWaalsContact C-N 3.27Å; L465-A467 PolarHBondContact O-N 2.88Å
468	R	88.7	Confident	87.7	Confident	177 Å²	177	39.2 Å²	39.2	67%	0.668	21%	0.207	S	C	*	.			trans	45.9	56.7	-177.4	-62.5	-177.1	-94.6	177.2	-7.5	113.7	A464 L465 A466	A464-R468 PolarHBondContact O-N 2.74Å; L465-R468 PolarHBondContact O-N 3.34Å; A466-R468 PolarHBondContact O-N 3.03Å
469	P	90.4	Very high	87.4	Confident	7 Å²	7	39.8 Å²	39.8	5%	0.045	21%	0.214	C	C	.	.			trans	-65.7	161.1	177.6	29.1	-37	0	0	0	112.2	L451 V453 A464 Y471 I472 Y505	L451-P469 HydrophobicContact CB-CB 4.44Å; L451-P469 HydrophobicContact CD2-CB 4.3Å; L451-P469 HydrophobicContact CG-CB 4.07Å; L451-P469 CarbonylContact O-C 3.58Å; L451-P469 WeakPolarHBondContact O-CA 3.23Å; L451-P469 VanDerWaalsContact O-CB 3.25Å; L451-P469 WeakPolarHBondContact O-CB 3.46Å; V453-P469 HydrophobicContact CB-CB 4.28Å; V453-P469 HydrophobicContact CB-CG 4.34Å; V453-P469 HydrophobicContact CG2-CB 3.83Å; V453-P469 HydrophobicContact CG2-CG 4.2Å; A464-P469 WeakPolarHBondContact O-CD 3.23Å; P469-Y471 VanDerWaalsContact C-N 3.3Å; P469-I472 HydrophobicContact CG-CD1 4.41Å; P469-I472 HydrophobicContact CG-CG1 3.81Å; P469-Y505 VanDerWaalsContact CD-OH 3.22Å; P469-Y505 WeakPolarHBondContact CD-OH 3.21Å; P469-Y505 HydrophobicContact CG-CE1 4.16Å; P469-Y505 PolarHBondContact O-OH 3.37Å
470	S	88.6	Confident	86.8	Confident	40 Å²	40	34.4 Å²	34.4	28%	0.28	19%	0.189	S	C	.	.	S	Bend	trans	-74.3	-20.9	170.1	-49.9	0	0	0	0	113	R450 L451 P506	R450-S470 WeakPolarHBondContact CA-OG 3.48Å; R450-S470 WeakPolarHBondContact CD-OG 3.27Å; L451-S470 PolarHBondContact N-OG 3.03Å; L451-S470 VanDerWaalsContact N-OG 3.11Å; L451-S470 WeakPolarHBondContact O-CA 3.45Å; L451-S470 PolarHBondContact O-N 3.28Å; S470-P506 WeakPolarHBondContact O-CB 3.39Å; S470-P506 WeakPolarHBondContact O-CG 3.48Å
471	Y	90.1	Very high	85.9	Confident	17 Å²	17	41.7 Å²	41.7	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	156	168.7	73.4	-82.9	0	0	0	111.9	Y362 F413 H430 L451 V453 P469 A473 P506 V508	Y362-Y471 PolarHBondContact OH-OH 3.47Å; F413-Y471 HydrophobicContact CD1-CE1 4.08Å; F413-Y471 HydrophobicContact CE1-CD1 4.33Å; F413-Y471 AromaticContact CE1-CE1 3.57Å; F413-Y471 HydrophobicContact CE1-CE1 3.57Å; F413-Y471 HydrophobicContact CE2-CE1 4.38Å; F413-Y471 HydrophobicContact CZ-CD1 4.3Å; F413-Y471 AromaticContact CZ-CE1 3.72Å; F413-Y471 HydrophobicContact CZ-CE1 3.72Å; H430-Y471 AromaticContact CE1-CE2 3.97Å; H430-Y471 AromaticContact ND1-CE2 3.83Å; H430-Y471 AromaticContact ND1-CZ 3.42Å; H430-Y471 PolarHBondContact ND1-OH 2.84Å; L451-Y471 PolarHBondContact O-N 3Å; V453-Y471 PolarHBondContact N-O 3.39Å; P469-Y471 VanDerWaalsContact C-N 3.3Å; Y471-A473 HydrophobicContact CD2-CB 4.49Å; Y471-A473 HydrophobicContact CE2-CB 4.09Å; Y471-P506 CarbonylContact C-O 3.27Å; Y471-P506 VanDerWaalsContact CA-O 3.31Å; Y471-P506 WeakPolarHBondContact CA-O 3.36Å; Y471-V508 HydrophobicContact CD2-CB 4.48Å; Y471-V508 HydrophobicContact CD2-CG1 4.13Å; Y471-V508 HydrophobicContact CD2-CG2 3.57Å; Y471-V508 HydrophobicContact CE2-CG1 4.46Å; Y471-V508 HydrophobicContact CE2-CG2 3.47Å; Y471-V508 VanDerWaalsContact CE2-CG2 3.47Å
472	I	90	Very high	84.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.9	174.9	-68.4	171.4	0	0	0	109.5	T455 A464 L465 P469 L474 L502 Y505 P506 T507 V508	T455-I472 HydrophobicContact CG2-CG2 3.68Å; T455-I472 VanDerWaalsContact OG1-CG2 3.22Å; T455-I472 WeakPolarHBondContact OG1-CG2 3.34Å; A464-I472 HydrophobicContact CB-CD1 4.14Å; A464-I472 HydrophobicContact CB-CG1 4.19Å; L465-I472 HydrophobicContact CD2-CD1 3.86Å; L465-I472 HydrophobicContact CG-CD1 4.05Å; P469-I472 HydrophobicContact CG-CD1 4.41Å; P469-I472 HydrophobicContact CG-CG1 3.81Å; I472-L474 HydrophobicContact CG2-CD2 3.91Å; I472-L474 HydrophobicContact CG2-CG 4.49Å; I472-L502 HydrophobicContact CB-CD1 4.25Å; I472-L502 HydrophobicContact CD1-CD1 4.21Å; I472-L502 HydrophobicContact CD1-CD2 3.64Å; I472-L502 HydrophobicContact CG2-CD1 4.01Å; I472-Y505 HydrophobicContact CD1-CD1 3.85Å; I472-Y505 HydrophobicContact CD1-CE1 3.74Å; I472-Y505 HydrophobicContact CG1-CD1 4.09Å; I472-Y505 HydrophobicContact CG1-CE1 3.81Å; I472-P506 PolarHBondContact N-O 3.28Å; I472-T507 CarbonylContact O-C 3.34Å; I472-T507 VanDerWaalsContact O-CA 3.27Å; I472-T507 WeakPolarHBondContact O-CA 3.4Å; I472-V508 PolarHBondContact O-N 2.94Å
473	A	89.4	Confident	83.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.9	177.1	0	0	0	0	0	111.1	V453 S454 T455 Y471 G475 V508 I510	V453-A473 PolarHBondContact O-N 2.92Å; S454-A473 WeakPolarHBondContact CA-O 3.49Å; T455-A473 PolarHBondContact N-O 3.45Å; Y471-A473 HydrophobicContact CD2-CB 4.49Å; Y471-A473 HydrophobicContact CE2-CB 4.09Å; A473-G475 PolarHBondContact O-N 3.46Å; A473-V508 CarbonylContact C-O 3.42Å; A473-V508 WeakPolarHBondContact CA-O 3.37Å; A473-V508 HydrophobicContact CB-CG2 3.57Å; A473-I510 HydrophobicContact CB-CD1 3.76Å; A473-I510 HydrophobicContact CB-CG1 4.12Å; A473-I510 HydrophobicContact CB-CG2 4.03Å
474	L	88.6	Confident	82.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110	-178.6	-58	174.4	0	0	0	109.1	T455 I461 I472 L495 H498 V499 L502 T507 V508 A509 I510	T455-L474 WeakPolarHBondContact OG1-CD2 3.43Å; I461-L474 HydrophobicContact CD1-CD2 3.99Å; I461-L474 HydrophobicContact CG1-CD2 4.31Å; I472-L474 HydrophobicContact CG2-CD2 3.91Å; I472-L474 HydrophobicContact CG2-CG 4.49Å; L474-L495 HydrophobicContact CB-CD1 3.62Å; L474-L495 HydrophobicContact CD1-CD1 3.66Å; L474-L495 HydrophobicContact CG-CD1 4.28Å; L474-H498 HydrophobicContact CD1-CB 3.85Å; L474-H498 HydrophobicContact CD2-CB 3.87Å; L474-H498 HydrophobicContact CG-CB 4.47Å; L474-V499 HydrophobicContact CD1-CG2 3.75Å; L474-L502 HydrophobicContact CD1-CD1 4.38Å; L474-L502 HydrophobicContact CD2-CD1 3.98Å; L474-T507 HydrophobicContact CD1-CG2 4Å; L474-T507 HydrophobicContact CG-CG2 4.44Å; L474-V508 PolarHBondContact N-O 3.47Å; L474-A509 WeakPolarHBondContact O-CA 3.35Å; L474-I510 PolarHBondContact O-N 3.09Å
475	G	81.8	Confident	81.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	169.8	-180	0	0	0	0	0	115.5	T455 H456 A473 Q490 I510	T455-G475 PolarHBondContact O-N 2.84Å; H456-G475 WeakPolarHBondContact CA-O 3.38Å; H456-G475 PolarHBondContact CD2-O 3.26Å; A473-G475 PolarHBondContact O-N 3.46Å; G475-Q490 VanDerWaalsContact N-NE2 3.2Å; G475-Q490 PolarHBondContact O-NE2 2.95Å; G475-I510 VanDerWaalsContact CA-O 3.29Å; G475-I510 WeakPolarHBondContact CA-O 3.44Å
476	H	83	Confident	80.8	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.037	31%	0.314	C	S	.	.			cis	-85.8	126.4	-4.8	58.1	-64.4	0	0	0	109.9	F478 M485 S487 A488 P489 Q490 I510	H476-F478 PolarHBondContact CD2-O 2.81Å; H476-M485 VanDerWaalsContact CE1-CB 3.49Å; H476-M485 WeakPolarHBondContact CE1-CB 3.41Å; H476-S487 PolarHBondContact CE1-O 3.33Å; H476-S487 PolarHBondContact NE2-O 2.93Å; H476-A488 VanDerWaalsContact CE1-C 3.48Å; H476-A488 PolarHBondContact CE1-O 2.87Å; H476-P489 VanDerWaalsContact NE2-CA 3.34Å; H476-P489 WeakPolarHBondContact NE2-CA 3.43Å; H476-P489 VanDerWaalsContact NE2-N 3.17Å; H476-P489 CarbonylContact O-C 3.43Å; H476-P489 WeakPolarHBondContact O-CA 3.43Å; H476-Q490 PolarHBondContact O-N 3.15Å; H476-I510 VanDerWaalsContact CA-O 3.32Å; H476-I510 WeakPolarHBondContact CA-O 3.45Å
477	V	84	Confident	80.1	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	30%	0.301	C	S	.	.	S	Bend	trans	-70	-42	-176.7	178.7	0	0	0	0	111.5	G491 L492 L495 A509 I510 G511	V477-G491 WeakPolarHBondContact O-CA 3.3Å; V477-G491 PolarHBondContact O-N 2.95Å; V477-L492 HydrophobicContact CG1-CD2 4.14Å; V477-L495 HydrophobicContact CG1-CD2 4.13Å; V477-L495 HydrophobicContact CG2-CD1 4.07Å; V477-L495 HydrophobicContact CG2-CD2 4.09Å; V477-A509 HydrophobicContact CG2-CB 3.93Å; V477-I510 PolarHBondContact N-O 3.42Å; V477-G511 PolarHBondContact N-O 2.83Å
478	F	84.4	Confident	79.7	Confident	29 Å²	29	61.1 Å²	61.1	13%	0.127	33%	0.33	C	S	.	.	S	Bend	trans	-123	161.4	178.1	-60.9	-74.7	0	0	0	111	H476 T480 L492 G511 G512 I513 R517 A520	H476-F478 PolarHBondContact CD2-O 2.81Å; F478-T480 PolarHBondContact O-N 2.66Å; F478-L492 HydrophobicContact CE1-CG 4.44Å; F478-L492 HydrophobicContact CZ-CD1 4.41Å; F478-L492 HydrophobicContact CZ-CD2 3.89Å; F478-L492 HydrophobicContact CZ-CG 4.16Å; F478-G511 PolarHBondContact N-O 3.42Å; F478-G512 WeakPolarHBondContact CB-O 3.16Å; F478-G512 WeakPolarHBondContact O-CA 3.45Å; F478-I513 HydrophobicContact CD2-CG1 4.3Å; F478-R517 HydrophobicContact CD2-CB 4.15Å; F478-R517 HydrophobicContact CE2-CB 3.94Å; F478-R517 HydrophobicContact CZ-CB 4.19Å; F478-A520 HydrophobicContact CZ-CB 4.1Å
479	P	81.2	Confident	79.5	Confident	70 Å²	70	55.2 Å²	55.2	46%	0.455	31%	0.314	S	S	.	.			trans	-53.3	124.3	172.9	-20.3	26.5	0	0	0	111	P489 G512 R517	P479-P489 HydrophobicContact CB-CG 4.22Å; P479-P489 HydrophobicContact CG-CB 4.5Å; P479-P489 HydrophobicContact CG-CG 3.68Å; P479-G512 WeakPolarHBondContact O-CA 3.48Å; P479-R517 PolarHBondContact O-NH1 2.77Å; P479-R517 VanDerWaalsContact O-NH1 3.15Å
480	T	74.2	Confident	79.1	Confident	30 Å²	30	56.2 Å²	56.2	18%	0.184	32%	0.318	C	S	.	.			trans	-96.6	141.4	178.2	179.4	0	0	0	0	111	F478 T482 K483 M485	F478-T480 PolarHBondContact O-N 2.66Å; T480-T482 PolarHBondContact OG1-N 2.79Å; T480-T482 PolarHBondContact OG1-OG1 3.38Å; T480-K483 HydrophobicContact CG2-CG 3.76Å; T480-K483 WeakPolarHBondContact CG2-O 3.45Å; T480-M485 HydrophobicContact CG2-CG 3.92Å
481	Q	70.7	Confident	78.9	Confident	201 Å²	201	55.5 Å²	55.5	94%	0.939	32%	0.317	S	S	*	.	S	Bend	trans	-91.9	-10.7	174.9	-65.8	-176.2	-4.4	0	0	112.7
482	T	65.4	Low	78.5	Confident	120 Å²	120	57.3 Å²	57.3	74%	0.736	33%	0.328	S	S	*	.	S	Bend	trans	-95.2	-11.1	-170.9	58.9	0	0	0	0	114.5	T480	T480-T482 PolarHBondContact OG1-N 2.79Å; T480-T482 PolarHBondContact OG1-OG1 3.38Å
483	K	65.8	Low	78.1	Confident	66 Å²	66	65.1 Å²	65.1	29%	0.287	36%	0.364	S	S	.	.	S	Bend	trans	-153.9	140	175.6	54.9	177.5	179.9	155.3	0	110.1	T480 M485	T480-K483 HydrophobicContact CG2-CG 3.76Å; T480-K483 WeakPolarHBondContact CG2-O 3.45Å; K483-M485 HydrophobicContact CD-CG 4.5Å; K483-M485 HydrophobicContact CD-SD 3.35Å; K483-M485 WeakPolarHBondContact CD-SD 3.3Å; K483-M485 WeakPolarHBondContact CE-SD 3.33Å; K483-M485 HydrophobicContact CG-CG 4.28Å; K483-M485 HydrophobicContact CG-SD 3.72Å; K483-M485 PolarHBondContact NZ-SD 3.23Å; K483-M485 PolarHBondContact O-N 2.74Å
484	Q	68.4	Low	77.8	Confident	202 Å²	202	67.5 Å²	67.5	94%	0.944	38%	0.376	S	S	*	.			trans	-70.3	126.1	162.9	-87.3	-179.3	-19.9	0	0	108.1
485	M	70.1	Confident	77.6	Confident	49 Å²	49	67.6 Å²	67.6	24%	0.241	38%	0.376	C	S	.	.			trans	-102.2	140.4	174.5	-68.3	-56.5	-39.9	0	0	109.4	H476 T480 K483 S487	H476-M485 VanDerWaalsContact CE1-CB 3.49Å; H476-M485 WeakPolarHBondContact CE1-CB 3.41Å; T480-M485 HydrophobicContact CG2-CG 3.92Å; K483-M485 HydrophobicContact CD-CG 4.5Å; K483-M485 HydrophobicContact CD-SD 3.35Å; K483-M485 WeakPolarHBondContact CD-SD 3.3Å; K483-M485 WeakPolarHBondContact CE-SD 3.33Å; K483-M485 HydrophobicContact CG-CG 4.28Å; K483-M485 HydrophobicContact CG-SD 3.72Å; K483-M485 PolarHBondContact NZ-SD 3.23Å; K483-M485 PolarHBondContact O-N 2.74Å; M485-S487 VanDerWaalsContact C-N 3.32Å
486	P	69.6	Low	77.5	Confident	132 Å²	132	68.8 Å²	68.8	86%	0.857	39%	0.386	S	S	*	.	S	Bend	trans	-74.5	-22.8	174.7	29	-29	0	0	0	112.5
487	S	71.6	Confident	77.5	Confident	53 Å²	53	75.1 Å²	75.1	37%	0.371	41%	0.409	S	S	.	.	S	Bend	trans	-94	158.4	176.5	52	0	0	0	0	112.5	H476 M485	H476-S487 PolarHBondContact CE1-O 3.33Å; H476-S487 PolarHBondContact NE2-O 2.93Å; M485-S487 VanDerWaalsContact C-N 3.32Å
488	A	78.7	Confident	77.7	Confident	80 Å²	80	75 Å²	75	66%	0.661	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-73.2	155.3	168.1	0	0	0	0	0	110.6	H476 Q490	H476-A488 VanDerWaalsContact CE1-C 3.48Å; H476-A488 PolarHBondContact CE1-O 2.87Å; A488-Q490 PolarHBondContact O-N 3.12Å
489	P	82.7	Confident	77.6	Confident	53 Å²	53	74.6 Å²	74.6	34%	0.344	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-59	135.4	173.7	-15.7	25.1	0	0	0	110.6	H476 P479 G491	H476-P489 VanDerWaalsContact NE2-CA 3.34Å; H476-P489 WeakPolarHBondContact NE2-CA 3.43Å; H476-P489 VanDerWaalsContact NE2-N 3.17Å; H476-P489 CarbonylContact O-C 3.43Å; H476-P489 WeakPolarHBondContact O-CA 3.43Å; P479-P489 HydrophobicContact CB-CG 4.22Å; P479-P489 HydrophobicContact CG-CB 4.5Å; P479-P489 HydrophobicContact CG-CG 3.68Å; P489-G491 VanDerWaalsContact C-N 3.26Å; P489-G491 PolarHBondContact O-N 3.16Å
490	Q	83	Confident	77.7	Confident	27 Å²	27	78.8 Å²	78.8	13%	0.126	42%	0.422	C	S	.	.			trans	-62.3	-33.9	-177.5	-64.8	-172.2	29.4	0	0	112.4	T455 H456 G475 H476 A488 Q494 H498	T455-Q490 PolarHBondContact O-NE2 3.14Å; H456-Q490 PolarHBondContact O-NE2 3.05Å; G475-Q490 VanDerWaalsContact N-NE2 3.2Å; G475-Q490 PolarHBondContact O-NE2 2.95Å; H476-Q490 PolarHBondContact O-N 3.15Å; A488-Q490 PolarHBondContact O-N 3.12Å; Q490-Q494 HydrophobicContact CB-CB 4.12Å; Q490-Q494 HydrophobicContact CB-CG 4.3Å; Q490-Q494 WeakPolarHBondContact O-CB 3.36Å; Q490-H498 PolarHBondContact OE1-CE1 3.27Å; Q490-H498 PolarHBondContact OE1-ND1 3.19Å
491	G	83.9	Confident	78.2	Confident	26 Å²	26	82.3 Å²	82.3	27%	0.268	43%	0.432	S	S	.	.	H	α-helix	trans	74.1	171.7	-172.8	0	0	0	0	0	113.1	V477 P489 L495	V477-G491 WeakPolarHBondContact O-CA 3.3Å; V477-G491 PolarHBondContact O-N 2.95Å; P489-G491 VanDerWaalsContact C-N 3.26Å; P489-G491 PolarHBondContact O-N 3.16Å; G491-L495 WeakPolarHBondContact O-CB 3.28Å; G491-L495 PolarHBondContact O-N 3.13Å; G491-L495 VanDerWaalsContact O-N 3.15Å
492	L	82.2	Confident	78.8	Confident	55 Å²	55	73.2 Å²	73.2	29%	0.288	39%	0.389	S	S	.	.	H	α-helix	trans	-72.8	-29.8	-176.3	-65.1	172.8	0	0	0	113	V477 F478 L495 A496 A520 P521	V477-L492 HydrophobicContact CG1-CD2 4.14Å; F478-L492 HydrophobicContact CE1-CG 4.44Å; F478-L492 HydrophobicContact CZ-CD1 4.41Å; F478-L492 HydrophobicContact CZ-CD2 3.89Å; F478-L492 HydrophobicContact CZ-CG 4.16Å; L492-L495 HydrophobicContact CD2-CD2 4.31Å; L492-A496 WeakPolarHBondContact O-CB 3.46Å; L492-A496 PolarHBondContact O-N 3.4Å; L492-A520 HydrophobicContact CD1-CB 3.8Å; L492-P521 HydrophobicContact CD2-CB 4.4Å; L492-P521 HydrophobicContact CD2-CG 4.1Å
493	E	80.8	Confident	79.4	Confident	164 Å²	164	70.5 Å²	70.5	77%	0.766	38%	0.379	S	S	*	.	H	α-helix	trans	-68.5	-46.9	179.4	-172.5	175.6	-175.5	0	0	111.5	A496 R497	E493-A496 WeakPolarHBondContact O-CB 3.33Å; E493-A496 PolarHBondContact O-N 3.22Å; E493-R497 PolarHBondContact O-N 3.47Å; E493-R497 VanDerWaalsContact O-N 3.13Å
494	Q	82.9	Confident	79.6	Confident	50 Å²	50	73.2 Å²	73.2	23%	0.234	40%	0.397	C	S	.	.	H	α-helix	trans	-68.6	-37.6	175.2	-168.9	66.2	19.5	0	0	111.5	Q490 A496 R497 H498	Q490-Q494 HydrophobicContact CB-CB 4.12Å; Q490-Q494 HydrophobicContact CB-CG 4.3Å; Q490-Q494 WeakPolarHBondContact O-CB 3.36Å; Q494-A496 VanDerWaalsContact C-N 3.28Å; Q494-A496 PolarHBondContact O-N 3.2Å; Q494-R497 PolarHBondContact O-N 3.33Å; Q494-H498 PolarHBondContact NE2-NE2 3.13Å; Q494-H498 PolarHBondContact O-N 3.22Å
495	L	84.8	Confident	80.2	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	36%	0.363	C	S	.	.	H	α-helix	trans	-56.5	-43.6	172.4	-179.6	68.2	0	0	0	111.2	L474 V477 G491 L492 H498 V499 A509	L474-L495 HydrophobicContact CB-CD1 3.62Å; L474-L495 HydrophobicContact CD1-CD1 3.66Å; L474-L495 HydrophobicContact CG-CD1 4.28Å; V477-L495 HydrophobicContact CG1-CD2 4.13Å; V477-L495 HydrophobicContact CG2-CD1 4.07Å; V477-L495 HydrophobicContact CG2-CD2 4.09Å; G491-L495 WeakPolarHBondContact O-CB 3.28Å; G491-L495 PolarHBondContact O-N 3.13Å; G491-L495 VanDerWaalsContact O-N 3.15Å; L492-L495 HydrophobicContact CD2-CD2 4.31Å; L495-H498 PolarHBondContact O-N 3.21Å; L495-V499 HydrophobicContact CD1-CG2 4.44Å; L495-V499 VanDerWaalsContact O-CG2 3.29Å; L495-V499 WeakPolarHBondContact O-CG2 3.4Å; L495-V499 PolarHBondContact O-N 3.4Å; L495-A509 HydrophobicContact CD1-CB 4.23Å; L495-A509 HydrophobicContact CD2-CB 4.07Å
496	A	80.2	Confident	80.6	Confident	26 Å²	26	65.1 Å²	65.1	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-45.3	176.5	0	0	0	0	0	112.2	L492 E493 Q494 H498 V499 E500 V525	L492-A496 WeakPolarHBondContact O-CB 3.46Å; L492-A496 PolarHBondContact O-N 3.4Å; E493-A496 WeakPolarHBondContact O-CB 3.33Å; E493-A496 PolarHBondContact O-N 3.22Å; Q494-A496 VanDerWaalsContact C-N 3.28Å; Q494-A496 PolarHBondContact O-N 3.2Å; A496-H498 PolarHBondContact O-N 3.13Å; A496-V499 PolarHBondContact O-N 2.87Å; A496-E500 WeakPolarHBondContact O-CB 3.34Å; A496-E500 PolarHBondContact O-N 2.98Å; A496-V525 HydrophobicContact CB-CB 4.36Å; A496-V525 HydrophobicContact CB-CG1 3.74Å; A496-V525 HydrophobicContact CB-CG2 3.59Å
497	R	83.9	Confident	81.3	Confident	141 Å²	141	60 Å²	60	53%	0.532	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-42.7	176.3	-70.7	179.6	65.5	-169.8	-1.5	112.5	E493 Q494 E500 R501	E493-R497 PolarHBondContact O-N 3.47Å; E493-R497 VanDerWaalsContact O-N 3.13Å; Q494-R497 PolarHBondContact O-N 3.33Å; R497-E500 PolarHBondContact O-N 3.49Å; R497-R501 WeakPolarHBondContact O-CB 3.39Å; R497-R501 PolarHBondContact O-N 2.92Å
498	H	88.2	Confident	82	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-39.3	177.5	-70	161.9	0	0	0	112.1	D458 I461 L474 Q490 Q494 L495 A496 R501 L502	D458-H498 IonicContact OD1-CD2 3.09Å; D458-H498 PolarHBondContact OD1-CD2 3.15Å; D458-H498 IonicContact OD1-NE2 2.63Å; I461-H498 HydrophobicContact CD1-CB 3.85Å; L474-H498 HydrophobicContact CD1-CB 3.85Å; L474-H498 HydrophobicContact CD2-CB 3.87Å; L474-H498 HydrophobicContact CG-CB 4.47Å; Q490-H498 PolarHBondContact OE1-CE1 3.27Å; Q490-H498 PolarHBondContact OE1-ND1 3.19Å; Q494-H498 PolarHBondContact NE2-NE2 3.13Å; Q494-H498 PolarHBondContact O-N 3.22Å; L495-H498 PolarHBondContact O-N 3.21Å; A496-H498 PolarHBondContact O-N 3.13Å; H498-R501 PolarHBondContact O-N 3.42Å; H498-L502 WeakPolarHBondContact O-CB 3.48Å; H498-L502 WeakPolarHBondContact O-CG 3.4Å; H498-L502 PolarHBondContact O-N 2.85Å
499	V	82.2	Confident	82.3	Confident	19 Å²	19	57 Å²	57	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-44.2	175.3	171.4	0	0	0	0	110.9	L474 L495 A496 R501 L502 A503 W526	L474-V499 HydrophobicContact CD1-CG2 3.75Å; L495-V499 HydrophobicContact CD1-CG2 4.44Å; L495-V499 VanDerWaalsContact O-CG2 3.29Å; L495-V499 WeakPolarHBondContact O-CG2 3.4Å; L495-V499 PolarHBondContact O-N 3.4Å; A496-V499 PolarHBondContact O-N 2.87Å; V499-R501 VanDerWaalsContact C-N 3.33Å; V499-R501 PolarHBondContact O-N 3.48Å; V499-L502 CarbonylContact O-C 3.39Å; V499-L502 PolarHBondContact O-N 3.18Å; V499-A503 PolarHBondContact O-N 3.39Å; V499-W526 HydrophobicContact CG1-CH2 4.02Å; V499-W526 HydrophobicContact CG1-CZ2 4.14Å; V499-W526 HydrophobicContact CG2-CH2 4.13Å; V499-W526 HydrophobicContact CG2-CZ2 3.73Å
500	E	81.9	Confident	82.3	Confident	159 Å²	159	56.1 Å²	56.1	74%	0.743	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-43.2	175.7	-174.1	175.8	-159.9	0	0	111.6	A496 R497 L502 A503	A496-E500 WeakPolarHBondContact O-CB 3.34Å; A496-E500 PolarHBondContact O-N 2.98Å; R497-E500 PolarHBondContact O-N 3.49Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.08Å; E500-A503 PolarHBondContact O-N 3.5Å
501	R	85.8	Confident	82	Confident	104 Å²	104	55.9 Å²	55.9	39%	0.392	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-39	174.8	179	179.4	176.9	157.3	2.6	112.7	D458 D462 R497 H498 V499 A503	D458-R501 PolarHBondContact O-NH1 3.2Å; D458-R501 PolarHBondContact O-NH2 3.46Å; D458-R501 IonicContact OD1-CZ 3.29Å; D458-R501 IonicContact OD1-NH1 2.76Å; D458-R501 PolarHBondContact OD1-NH1 2.98Å; D458-R501 IonicContact OD2-NH1 2.92Å; D462-R501 IonicContact OD1-CZ 3.42Å; D462-R501 IonicContact OD1-NH2 3.93Å; D462-R501 PolarHBondContact OD1-NH2 2.98Å; D462-R501 IonicContact OD2-CZ 2.87Å; D462-R501 IonicContact OD2-NH2 3.19Å; D462-R501 PolarHBondContact OD2-NH2 2.79Å; R497-R501 WeakPolarHBondContact O-CB 3.39Å; R497-R501 PolarHBondContact O-N 2.92Å; H498-R501 PolarHBondContact O-N 3.42Å; V499-R501 VanDerWaalsContact C-N 3.33Å; V499-R501 PolarHBondContact O-N 3.48Å; R501-A503 PolarHBondContact O-N 3.19Å
502	L	83.5	Confident	81.7	Confident	9 Å²	9	55.4 Å²	55.4	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-79.8	-6.6	179.9	-75.7	171	0	0	0	112.9	I461 L465 I472 L474 H498 V499 E500 D504 Y505 T507	I461-L502 HydrophobicContact CD1-CD1 4.39Å; I461-L502 HydrophobicContact CG2-CD2 3.76Å; I461-L502 HydrophobicContact CG2-CG 4.22Å; L465-L502 HydrophobicContact CD1-CD2 4.06Å; L465-L502 HydrophobicContact CD2-CD2 3.91Å; L465-L502 HydrophobicContact CG-CD2 4.18Å; I472-L502 HydrophobicContact CB-CD1 4.25Å; I472-L502 HydrophobicContact CD1-CD1 4.21Å; I472-L502 HydrophobicContact CD1-CD2 3.64Å; I472-L502 HydrophobicContact CG2-CD1 4.01Å; L474-L502 HydrophobicContact CD1-CD1 4.38Å; L474-L502 HydrophobicContact CD2-CD1 3.98Å; H498-L502 WeakPolarHBondContact O-CB 3.48Å; H498-L502 WeakPolarHBondContact O-CG 3.4Å; H498-L502 PolarHBondContact O-N 2.85Å; V499-L502 CarbonylContact O-C 3.39Å; V499-L502 PolarHBondContact O-N 3.18Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.08Å; L502-D504 PolarHBondContact O-N 3.48Å; L502-Y505 WeakPolarHBondContact O-CB 3.21Å; L502-Y505 PolarHBondContact O-N 3.3Å; L502-T507 HydrophobicContact CB-CG2 4.06Å; L502-T507 HydrophobicContact CD1-CG2 3.35Å; L502-T507 HydrophobicContact CG-CG2 4.31Å
503	A	77.8	Confident	81.5	Confident	63 Å²	63	55.7 Å²	55.7	52%	0.521	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	-118.7	-179.9	0	0	0	0	0	111.5	V499 E500 R501 Y505	V499-A503 PolarHBondContact O-N 3.39Å; E500-A503 PolarHBondContact O-N 3.5Å; R501-A503 PolarHBondContact O-N 3.19Å; A503-Y505 VanDerWaalsContact C-N 3.31Å; A503-Y505 PolarHBondContact O-N 3.16Å
504	D	69.9	Low	81.2	Confident	123 Å²	123	50.4 Å²	50.4	66%	0.658	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	8.8	-178.7	-56.7	-43.2	0	0	0	113.3	L502 H529	L502-D504 PolarHBondContact O-N 3.48Å; D504-H529 IonicContact OD1-CE1 3.86Å; D504-H529 IonicContact OD1-CG 2.81Å; D504-H529 IonicContact OD1-ND1 3.91Å; D504-H529 PolarHBondContact OD1-ND1 2.77Å
505	Y	79.4	Confident	80.8	Confident	60 Å²	60	56.5 Å²	56.5	24%	0.235	31%	0.306	C	S	.	.	S	Bend	trans	-68.1	135.5	178.8	-151.6	-86.6	0	0	0	111.1	L465 P469 I472 L502 A503 T507	L465-Y505 HydrophobicContact CD2-CD2 3.87Å; L465-Y505 HydrophobicContact CD2-CE1 4.44Å; L465-Y505 HydrophobicContact CD2-CE2 3.7Å; L465-Y505 HydrophobicContact CD2-CG 4.29Å; P469-Y505 VanDerWaalsContact CD-OH 3.22Å; P469-Y505 WeakPolarHBondContact CD-OH 3.21Å; P469-Y505 HydrophobicContact CG-CE1 4.16Å; P469-Y505 PolarHBondContact O-OH 3.37Å; I472-Y505 HydrophobicContact CD1-CD1 3.85Å; I472-Y505 HydrophobicContact CD1-CE1 3.74Å; I472-Y505 HydrophobicContact CG1-CD1 4.09Å; I472-Y505 HydrophobicContact CG1-CE1 3.81Å; L502-Y505 WeakPolarHBondContact O-CB 3.21Å; L502-Y505 PolarHBondContact O-N 3.3Å; A503-Y505 VanDerWaalsContact C-N 3.31Å; A503-Y505 PolarHBondContact O-N 3.16Å; Y505-T507 PolarHBondContact O-N 3.45Å; Y505-T507 VanDerWaalsContact O-N 3.11Å
506	P	79.7	Confident	80.3	Confident	22 Å²	22	60.7 Å²	60.7	14%	0.143	34%	0.341	C	S	.	.			trans	-53.9	117.7	176.3	4	-13.8	0	0	0	112.8	S470 Y471 I472 W532	S470-P506 WeakPolarHBondContact O-CB 3.39Å; S470-P506 WeakPolarHBondContact O-CG 3.48Å; Y471-P506 CarbonylContact C-O 3.27Å; Y471-P506 VanDerWaalsContact CA-O 3.31Å; Y471-P506 WeakPolarHBondContact CA-O 3.36Å; I472-P506 PolarHBondContact N-O 3.28Å; P506-W532 HydrophobicContact CB-CH2 4.01Å; P506-W532 HydrophobicContact CB-CZ2 3.19Å; P506-W532 HydrophobicContact CG-CH2 3.8Å; P506-W532 HydrophobicContact CG-CZ2 3.25Å
507	T	84.7	Confident	80.2	Confident	23 Å²	23	63.8 Å²	63.8	14%	0.141	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.1	179.3	47.5	0	0	0	0	111.9	I472 L474 L502 Y505	I472-T507 CarbonylContact O-C 3.34Å; I472-T507 VanDerWaalsContact O-CA 3.27Å; I472-T507 WeakPolarHBondContact O-CA 3.4Å; L474-T507 HydrophobicContact CD1-CG2 4Å; L474-T507 HydrophobicContact CG-CG2 4.44Å; L502-T507 HydrophobicContact CB-CG2 4.06Å; L502-T507 HydrophobicContact CD1-CG2 3.35Å; L502-T507 HydrophobicContact CG-CG2 4.31Å; Y505-T507 PolarHBondContact O-N 3.45Å; Y505-T507 VanDerWaalsContact O-N 3.11Å
508	V	85.5	Confident	79.5	Confident	38 Å²	38	57.7 Å²	57.7	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.9	169.2	-58.6	0	0	0	0	109.6	Y362 Y471 I472 A473 L474 I510	Y362-V508 HydrophobicContact CE1-CB 4.14Å; Y362-V508 HydrophobicContact CE1-CG1 4.08Å; Y362-V508 HydrophobicContact CE1-CG2 4.07Å; Y471-V508 HydrophobicContact CD2-CB 4.48Å; Y471-V508 HydrophobicContact CD2-CG1 4.13Å; Y471-V508 HydrophobicContact CD2-CG2 3.57Å; Y471-V508 HydrophobicContact CE2-CG1 4.46Å; Y471-V508 HydrophobicContact CE2-CG2 3.47Å; Y471-V508 VanDerWaalsContact CE2-CG2 3.47Å; I472-V508 PolarHBondContact O-N 2.94Å; A473-V508 CarbonylContact C-O 3.42Å; A473-V508 WeakPolarHBondContact CA-O 3.37Å; A473-V508 HydrophobicContact CB-CG2 3.57Å; L474-V508 PolarHBondContact N-O 3.47Å; V508-I510 HydrophobicContact CG2-CG2 4.06Å
509	A	84.2	Confident	78.4	Confident	32 Å²	32	60.6 Å²	60.6	26%	0.264	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.2	172.1	0	0	0	0	0	109.9	L474 V477 L495 I513	L474-A509 WeakPolarHBondContact O-CA 3.35Å; V477-A509 HydrophobicContact CG2-CB 3.93Å; L495-A509 HydrophobicContact CD1-CB 4.23Å; L495-A509 HydrophobicContact CD2-CB 4.07Å; A509-I513 HydrophobicContact CB-CD1 4.38Å; A509-I513 VanDerWaalsContact O-CD1 3.29Å; A509-I513 WeakPolarHBondContact O-CD1 3.4Å
510	I	83.2	Confident	77.5	Confident	36 Å²	36	61.1 Å²	61.1	19%	0.185	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.1	177.2	66.6	169	0	0	0	111.8	S454 A473 L474 G475 H476 V477 V508	S454-I510 WeakPolarHBondContact OG-CD1 3.47Å; A473-I510 HydrophobicContact CB-CD1 3.76Å; A473-I510 HydrophobicContact CB-CG1 4.12Å; A473-I510 HydrophobicContact CB-CG2 4.03Å; L474-I510 PolarHBondContact O-N 3.09Å; G475-I510 VanDerWaalsContact CA-O 3.29Å; G475-I510 WeakPolarHBondContact CA-O 3.44Å; H476-I510 VanDerWaalsContact CA-O 3.32Å; H476-I510 WeakPolarHBondContact CA-O 3.45Å; V477-I510 PolarHBondContact N-O 3.42Å; V508-I510 HydrophobicContact CG2-CG2 4.06Å
511	G	78.3	Confident	76.3	Confident	22 Å²	22	54.4 Å²	54.4	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	92	120.4	172.1	0	0	0	0	0	115.2	V477 F478 I513	V477-G511 PolarHBondContact N-O 2.83Å; F478-G511 PolarHBondContact N-O 3.42Å; G511-I513 VanDerWaalsContact C-N 3.27Å; G511-I513 PolarHBondContact O-N 3.34Å
512	G	76.6	Confident	74.6	Confident	16 Å²	16	52.4 Å²	52.4	17%	0.165	32%	0.318	C	S	.	.	S	Bend	trans	70.6	12.9	172.8	0	0	0	0	0	116.2	F478 P479 S514 R517	F478-G512 WeakPolarHBondContact CB-O 3.16Å; F478-G512 WeakPolarHBondContact O-CA 3.45Å; P479-G512 WeakPolarHBondContact O-CA 3.48Å; G512-S514 PolarHBondContact O-N 3.48Å; G512-R517 VanDerWaalsContact O-CD 3.26Å; G512-R517 WeakPolarHBondContact O-CD 3.34Å; G512-R517 PolarHBondContact O-NH1 3Å
513	I	77.4	Confident	72.8	Confident	60 Å²	60	57.9 Å²	57.9	31%	0.308	35%	0.352	S	S	.	.			trans	-76.3	105.3	176.5	-55.6	172.7	0	0	0	108.7	L361 F478 A509 G511 A518	L361-I513 HydrophobicContact CD2-CG2 4.31Å; F478-I513 HydrophobicContact CD2-CG1 4.3Å; A509-I513 HydrophobicContact CB-CD1 4.38Å; A509-I513 VanDerWaalsContact O-CD1 3.29Å; A509-I513 WeakPolarHBondContact O-CD1 3.4Å; G511-I513 VanDerWaalsContact C-N 3.27Å; G511-I513 PolarHBondContact O-N 3.34Å; I513-A518 HydrophobicContact CG2-CB 4.13Å
514	S	76.1	Confident	71.1	Confident	54 Å²	54	58.1 Å²	58.1	38%	0.378	36%	0.36	S	S	.	.			trans	-99	168.3	170.1	66.8	0	0	0	0	110.4	G512 A516 R517 A518	G512-S514 PolarHBondContact O-N 3.48Å; S514-A516 PolarHBondContact O-N 3.23Å; S514-A516 VanDerWaalsContact O-N 3.08Å; S514-A516 PolarHBondContact OG-N 3.15Å; S514-R517 PolarHBondContact O-N 3.45Å; S514-R517 PolarHBondContact OG-N 3.46Å; S514-A518 PolarHBondContact O-N 3.13Å
515	L	72.6	Confident	69.9	Low	177 Å²	177	54.6 Å²	54.6	93%	0.927	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.2	173.4	-136.3	103.5	0	0	0	112.3
516	A	75.4	Confident	68.2	Low	90 Å²	90	56 Å²	56	74%	0.744	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.6	177.9	0	0	0	0	0	114.3	S514	S514-A516 PolarHBondContact O-N 3.23Å; S514-A516 VanDerWaalsContact O-N 3.08Å; S514-A516 PolarHBondContact OG-N 3.15Å
517	R	77.8	Confident	66.2	Low	91 Å²	91	64.2 Å²	64.2	34%	0.343	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-17.1	-178.1	-68.6	173.5	178.7	166	-1.6	113.3	F478 P479 G512 S514 P519 A520 P521	F478-R517 HydrophobicContact CD2-CB 4.15Å; F478-R517 HydrophobicContact CE2-CB 3.94Å; F478-R517 HydrophobicContact CZ-CB 4.19Å; P479-R517 PolarHBondContact O-NH1 2.77Å; P479-R517 VanDerWaalsContact O-NH1 3.15Å; G512-R517 VanDerWaalsContact O-CD 3.26Å; G512-R517 WeakPolarHBondContact O-CD 3.34Å; G512-R517 PolarHBondContact O-NH1 3Å; S514-R517 PolarHBondContact O-N 3.45Å; S514-R517 PolarHBondContact OG-N 3.46Å; R517-P519 VanDerWaalsContact C-N 3.28Å; R517-A520 WeakPolarHBondContact O-CB 3.32Å; R517-A520 PolarHBondContact O-N 3.22Å; R517-P521 WeakPolarHBondContact O-CD 3.34Å
518	A	68.8	Low	64	Low	13 Å²	13	74 Å²	74	11%	0.107	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.8	178.4	0	0	0	0	0	115.2	L361 I513 S514 P521	L361-A518 HydrophobicContact CD1-CB 4.38Å; I513-A518 HydrophobicContact CG2-CB 4.13Å; S514-A518 PolarHBondContact O-N 3.13Å; A518-P521 WeakPolarHBondContact O-CD 3.2Å
519	P	66	Low	61.5	Low	61 Å²	61	78 Å²	78	40%	0.396	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.9	176.4	-17.8	32	0	0	0	114.3	R517 Q522	R517-P519 VanDerWaalsContact C-N 3.28Å; P519-Q522 WeakPolarHBondContact O-CB 3.24Å; P519-Q522 WeakPolarHBondContact O-CG 3.29Å; P519-Q522 PolarHBondContact O-N 2.9Å
520	A	62	Low	58.8	Low	30 Å²	30	82.8 Å²	82.8	25%	0.248	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-65.1	-33.7	-167.3	0	0	0	0	0	115	F478 L492 R517 Q522 T523	F478-A520 HydrophobicContact CZ-CB 4.1Å; L492-A520 HydrophobicContact CD1-CB 3.8Å; R517-A520 WeakPolarHBondContact O-CB 3.32Å; R517-A520 PolarHBondContact O-N 3.22Å; A520-Q522 PolarHBondContact O-N 3.43Å; A520-T523 PolarHBondContact O-OG1 3.27Å
521	P	56.7	Low	56.2	Low	19 Å²	19	84.7 Å²	84.7	12%	0.123	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-61.4	-28.8	169.3	-22.4	33.6	0	0	0	113.1	L492 R517 A518 T523	L492-P521 HydrophobicContact CD2-CB 4.4Å; L492-P521 HydrophobicContact CD2-CG 4.1Å; R517-P521 WeakPolarHBondContact O-CD 3.34Å; A518-P521 WeakPolarHBondContact O-CD 3.2Å; P521-T523 PolarHBondContact O-N 2.9Å
522	Q	51.8	Low	53.9	Low	61 Å²	61	90 Å²	90	29%	0.285	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-73.4	-25.7	-172.5	-52.7	-169.9	-75.6	0	0	114.3	L359 P519 A520	L359-Q522 HydrophobicContact CD1-CG 3.75Å; L359-Q522 VanDerWaalsContact CD1-OE1 3.32Å; L359-Q522 HydrophobicContact CD2-CG 4.05Å; L359-Q522 HydrophobicContact CG-CG 4.07Å; P519-Q522 WeakPolarHBondContact O-CB 3.24Å; P519-Q522 WeakPolarHBondContact O-CG 3.29Å; P519-Q522 PolarHBondContact O-N 2.9Å; A520-Q522 PolarHBondContact O-N 3.43Å
523	T	45.8	Very low	51.7	Low	125 Å²	125	97.7 Å²	97.7	77%	0.767	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-91.6	-3.8	-166.4	52.5	0	0	0	0	114.5	A520 P521	A520-T523 PolarHBondContact O-OG1 3.27Å; P521-T523 PolarHBondContact O-N 2.9Å
524	G	41.6	Very low	49.6	Very low	67 Å²	67	97.4 Å²	97.4	69%	0.691	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	-12.9	-172.5	0	0	0	0	0	118.1
525	V	44.5	Very low	47.6	Very low	50 Å²	50	99 Å²	99	30%	0.303	52%	0.524	S	S	.	.	S	Bend	trans	-135.1	-18.9	-164.9	-173.5	0	0	0	0	114.7	A496	A496-V525 HydrophobicContact CB-CB 4.36Å; A496-V525 HydrophobicContact CB-CG1 3.74Å; A496-V525 HydrophobicContact CB-CG2 3.59Å
526	W	43.2	Very low	45.8	Very low	90 Å²	90	95.9 Å²	95.9	34%	0.341	51%	0.505	S	S	.	.			trans	-116.3	28.1	-160.5	-68.6	87.2	0	0	0	116.9	V499 C531	V499-W526 HydrophobicContact CG1-CH2 4.02Å; V499-W526 HydrophobicContact CG1-CZ2 4.14Å; V499-W526 HydrophobicContact CG2-CH2 4.13Å; V499-W526 HydrophobicContact CG2-CZ2 3.73Å; W526-C531 HydrophobicContact CZ3-CB 4.49Å
527	Q	38.7	Very low	44.2	Very low	193 Å²	193	95.2 Å²	95.2	90%	0.902	49%	0.489	S	S	*	.	S	Bend	trans	-94.5	5.1	179.7	-81.2	-168.5	-10.4	0	0	115.8
528	R	36.9	Very low	43	Very low	230 Å²	230	95.2 Å²	95.2	87%	0.868	51%	0.508	S	S	*	.	S	Bend	trans	-129.7	0.8	-171.2	-85.7	-172.1	178.9	172	0.7	119.5
529	H	34.2	Very low	43.1	Very low	121 Å²	121	95.9 Å²	95.9	56%	0.56	51%	0.509	S	S	*	.			trans	-134	125.7	179.7	-69.6	-92.9	0	0	0	111.8	D504 C531	D504-H529 IonicContact OD1-CE1 3.86Å; D504-H529 IonicContact OD1-CG 2.81Å; D504-H529 IonicContact OD1-ND1 3.91Å; D504-H529 PolarHBondContact OD1-ND1 2.77Å; H529-C531 VanDerWaalsContact C-N 3.27Å; H529-C531 PolarHBondContact O-N 3.41Å
530	S	27.9	Very low	43.5	Very low	132 Å²	132	96.9 Å²	96.9	92%	0.923	51%	0.512	S	S	*	.			trans	-64	81.6	175.3	37.4	0	0	0	0	110.4
531	C	28.6	Very low	44	Very low	76 Å²	76	99 Å²	99	51%	0.514	52%	0.519	S	S	.	.			trans	-87.7	121.6	176.4	74.4	0	0	0	0	110.9	W526 H529	W526-C531 HydrophobicContact CZ3-CB 4.49Å; H529-C531 VanDerWaalsContact C-N 3.27Å; H529-C531 PolarHBondContact O-N 3.41Å
532	W	29.8	Very low	45.1	Very low	134 Å²	134	105 Å²	105	51%	0.508	54%	0.539	S	S	.	.			trans	50.4	79.3	157.5	-56.1	95.2	0	0	0	119.2	P506 L534	P506-W532 HydrophobicContact CB-CH2 4.01Å; P506-W532 HydrophobicContact CB-CZ2 3.19Å; P506-W532 HydrophobicContact CG-CH2 3.8Å; P506-W532 HydrophobicContact CG-CZ2 3.25Å; W532-L534 HydrophobicContact CE3-CB 4.26Å; W532-L534 HydrophobicContact CE3-CD1 3.42Å; W532-L534 VanDerWaalsContact CE3-CD1 3.42Å; W532-L534 HydrophobicContact CE3-CG 3.72Å; W532-L534 HydrophobicContact CZ3-CD1 3.42Å; W532-L534 VanDerWaalsContact CZ3-CD1 3.42Å; W532-L534 HydrophobicContact CZ3-CG 3.95Å; W532-L534 PolarHBondContact O-N 3.2Å
533	K	30	Very low	46.7	Very low	177 Å²	177	103 Å²	103	77%	0.77	53%	0.53	S	S	*	.			trans	-80.7	67.3	138.1	-83.7	-172	178.5	179.3	0	109.9	Q535	K533-Q535 PolarHBondContact O-N 3.35Å
534	L	32.3	Very low	48.4	Very low	54 Å²	54	101.2 Å²	101.2	28%	0.283	51%	0.512	S	S	.	.			trans	-85.1	78.8	147.4	-90.4	172.5	0	0	0	105.8	R360 R411 W532	R360-L534 PolarHBondContact NH1-O 3.35Å; R360-L534 VanDerWaalsContact NH1-O 3.15Å; R411-L534 PolarHBondContact NH1-O 2.63Å; R411-L534 PolarHBondContact NH2-O 3.02Å; W532-L534 HydrophobicContact CE3-CB 4.26Å; W532-L534 HydrophobicContact CE3-CD1 3.42Å; W532-L534 VanDerWaalsContact CE3-CD1 3.42Å; W532-L534 HydrophobicContact CE3-CG 3.72Å; W532-L534 HydrophobicContact CZ3-CD1 3.42Å; W532-L534 VanDerWaalsContact CZ3-CD1 3.42Å; W532-L534 HydrophobicContact CZ3-CG 3.95Å; W532-L534 PolarHBondContact O-N 3.2Å
535	Q	35.6	Very low	50.4	Low	87 Å²	87	104.3 Å²	104.3	41%	0.407	51%	0.51	S	S	.	.			trans	-87.5	101.7	153.8	-76.3	170.8	-68.2	0	0	104.1	K533 L537	K533-Q535 PolarHBondContact O-N 3.35Å; Q535-L537 VanDerWaalsContact C-N 3.3Å; Q535-L537 PolarHBondContact O-N 3.42Å
536	E	34.4	Very low	52.5	Low	112 Å²	112	106.6 Å²	106.6	52%	0.523	51%	0.513	S	S	.	.	S	Bend		51	46	115.1	-84.6	-171.2	170.5	0	0	113.9
537	L	40.8	Very low	54.9	Low	76 Å²	76	102.7 Å²	102.7	40%	0.398	50%	0.498	S	S	.	.			trans	-142	141.6	174.2	-72.2	165.9	0	0	0	110	Q535 M539 L558 D559	Q535-L537 VanDerWaalsContact C-N 3.3Å; Q535-L537 PolarHBondContact O-N 3.42Å; L537-M539 PolarHBondContact O-N 3.06Å; L537-L558 HydrophobicContact CB-CD2 3.93Å; L537-L558 HydrophobicContact CD1-CD2 4.26Å; L537-D559 HydrophobicContact CD1-CB 4.27Å; L537-D559 WeakPolarHBondContact CD1-OD1 3.3Å
538	A	54.4	Low	57.2	Low	92 Å²	92	95.3 Å²	95.3	76%	0.76	47%	0.468	S	S	*	.			trans	-67.1	2.5	-152.3	0	0	0	0	0	117.4	N540	A538-N540 PolarHBondContact O-N 2.83Å
539	M	69.3	Low	59.6	Low	26 Å²	26	94 Å²	94	13%	0.128	46%	0.464	C	S	.	.			trans	-76	128.4	-166.6	-159.8	166.4	64.8	0	0	112.3	L537 D543 F544 Y547 I551 L558 Q561 L565	L537-M539 PolarHBondContact O-N 3.06Å; M539-D543 HydrophobicContact CG-CB 3.38Å; M539-D543 HydrophobicContact SD-CB 3.97Å; M539-F544 HydrophobicContact CE-CB 4Å; M539-F544 HydrophobicContact CE-CD2 3.87Å; M539-F544 HydrophobicContact CE-CG 4.42Å; M539-Y547 HydrophobicContact SD-CD2 4.49Å; M539-I551 HydrophobicContact CE-CD1 3.33Å; M539-I551 HydrophobicContact CE-CG1 4.34Å; M539-L558 HydrophobicContact CE-CD1 3.95Å; M539-Q561 HydrophobicContact CE-CG 4.21Å; M539-Q561 HydrophobicContact SD-CB 4.42Å; M539-Q561 HydrophobicContact SD-CG 3.62Å; M539-L565 HydrophobicContact CG-CD1 3.59Å; M539-L565 HydrophobicContact SD-CD1 3.34Å; M539-L565 WeakPolarHBondContact SD-CD1 3.37Å
540	N	75.5	Confident	62.3	Low	83 Å²	83	90.1 Å²	90.1	44%	0.444	45%	0.445	S	S	.	.			trans	-72.2	163.3	179.7	67.2	61.1	0	0	0	111.4	A538 R542 D543 F544	A538-N540 PolarHBondContact O-N 2.83Å; N540-R542 PolarHBondContact O-N 3.42Å; N540-R542 WeakPolarHBondContact OD1-CA 3.41Å; N540-R542 WeakPolarHBondContact OD1-CB 3.44Å; N540-R542 PolarHBondContact OD1-N 2.71Å; N540-D543 PolarHBondContact ND2-OD2 2.79Å; N540-D543 PolarHBondContact O-N 2.8Å; N540-D543 PolarHBondContact OD1-N 2.79Å; N540-D543 PolarHBondContact OD1-OD2 3.09Å; N540-F544 PolarHBondContact O-N 2.61Å
541	D	72.4	Confident	65.2	Low	75 Å²	75	84.9 Å²	84.9	40%	0.401	41%	0.407	S	S	.	.	H	α-helix	trans	-60.2	-31.1	-177.3	-81.5	-29.8	0	0	0	113.6	R450 M545	R450-D541 IonicContact CZ-OD1 3.73Å; R450-D541 IonicContact CZ-OD2 3.36Å; R450-D541 VanDerWaalsContact CZ-OD2 3.29Å; R450-D541 IonicContact NE-OD2 3.33Å; R450-D541 IonicContact NH1-OD1 2.97Å; R450-D541 PolarHBondContact NH1-OD1 3.4Å; R450-D541 IonicContact NH1-OD2 3.18Å; R450-D541 PolarHBondContact NH1-OD2 3.05Å; R450-D541 IonicContact NH2-OD1 3.47Å; R450-D541 PolarHBondContact NH2-OD1 3.25Å; R450-D541 IonicContact NH2-OD2 2.7Å; R450-D541 PolarHBondContact NH2-OD2 3.04Å; D541-M545 WeakPolarHBondContact O-CB 3.41Å; D541-M545 VanDerWaalsContact O-CG 3.27Å; D541-M545 WeakPolarHBondContact O-CG 3.39Å; D541-M545 PolarHBondContact O-N 2.93Å
542	R	80	Confident	67.7	Low	144 Å²	144	87.1 Å²	87.1	54%	0.543	41%	0.413	S	S	.	.	H	α-helix	trans	-69.8	-45.2	-179.9	-177.6	178	168.5	168.4	-4.7	110.7	N540 M545 R546 D635	N540-R542 PolarHBondContact O-N 3.42Å; N540-R542 WeakPolarHBondContact OD1-CA 3.41Å; N540-R542 WeakPolarHBondContact OD1-CB 3.44Å; N540-R542 PolarHBondContact OD1-N 2.71Å; R542-M545 PolarHBondContact O-N 2.95Å; R542-R546 WeakPolarHBondContact O-CB 3.24Å; R542-R546 PolarHBondContact O-N 2.87Å; R542-D635 IonicContact CZ-OD1 2.69Å; R542-D635 IonicContact CZ-OD2 3.89Å; R542-D635 IonicContact NE-OD1 3.57Å; R542-D635 PolarHBondContact NE-OD1 2.61Å; R542-D635 IonicContact NE-OD2 3.73Å; R542-D635 PolarHBondContact NE-OD2 2.94Å; R542-D635 IonicContact NH1-OD1 3.17Å; R542-D635 VanDerWaalsContact NH2-CG 3.27Å; R542-D635 IonicContact NH2-OD1 3.56Å; R542-D635 PolarHBondContact NH2-OD1 2.92Å; R542-D635 IonicContact NH2-OD2 3.47Å; R542-D635 PolarHBondContact NH2-OD2 3.21Å
543	D	85.1	Confident	70.3	Confident	20 Å²	20	85.4 Å²	85.4	11%	0.107	41%	0.413	C	S	.	.	H	α-helix	trans	-65	-43.6	174.2	-71.1	-28.3	0	0	0	111.1	M539 N540 M545 R546 Y547 L565	M539-D543 HydrophobicContact CG-CB 3.38Å; M539-D543 HydrophobicContact SD-CB 3.97Å; N540-D543 PolarHBondContact ND2-OD2 2.79Å; N540-D543 PolarHBondContact O-N 2.8Å; N540-D543 PolarHBondContact OD1-N 2.79Å; N540-D543 PolarHBondContact OD1-OD2 3.09Å; D543-M545 VanDerWaalsContact C-N 3.32Å; D543-M545 PolarHBondContact O-N 3.41Å; D543-R546 PolarHBondContact O-N 2.8Å; D543-Y547 HydrophobicContact CB-CD2 4.1Å; D543-Y547 HydrophobicContact CB-CE2 3.89Å; D543-Y547 WeakPolarHBondContact O-CD2 3.25Å; D543-Y547 PolarHBondContact O-N 3.37Å; D543-L565 HydrophobicContact CB-CD1 4.22Å
544	F	82.1	Confident	72.6	Confident	86 Å²	86	84.5 Å²	84.5	38%	0.377	42%	0.417	S	S	.	.	H	α-helix	trans	-57	-44.4	175	-175.3	-93.9	0	0	0	112.6	M539 N540 S548 I551 L558	M539-F544 HydrophobicContact CE-CB 4Å; M539-F544 HydrophobicContact CE-CD2 3.87Å; M539-F544 HydrophobicContact CE-CG 4.42Å; N540-F544 PolarHBondContact O-N 2.61Å; F544-S548 WeakPolarHBondContact O-CA 3.46Å; F544-S548 WeakPolarHBondContact O-CB 3.38Å; F544-S548 PolarHBondContact O-N 3.07Å; F544-I551 HydrophobicContact CD2-CD1 4Å; F544-I551 HydrophobicContact CE2-CD1 4.35Å; F544-I551 HydrophobicContact CE2-CG2 4.38Å; F544-L558 HydrophobicContact CD2-CD1 3.76Å; F544-L558 HydrophobicContact CE2-CD1 3.7Å
545	M	82.6	Confident	74.9	Confident	133 Å²	133	88 Å²	88	66%	0.655	44%	0.436	S	S	*	.	H	α-helix	trans	-68.5	-43.7	176.9	-72	-61.5	-65	0	0	112.3	D541 R542 D543 Y547 S548	D541-M545 WeakPolarHBondContact O-CB 3.41Å; D541-M545 VanDerWaalsContact O-CG 3.27Å; D541-M545 WeakPolarHBondContact O-CG 3.39Å; D541-M545 PolarHBondContact O-N 2.93Å; R542-M545 PolarHBondContact O-N 2.95Å; D543-M545 VanDerWaalsContact C-N 3.32Å; D543-M545 PolarHBondContact O-N 3.41Å; M545-Y547 VanDerWaalsContact C-N 3.34Å; M545-Y547 PolarHBondContact O-N 2.83Å; M545-S548 PolarHBondContact O-N 3.38Å; M545-S548 PolarHBondContact O-OG 3.28Å
546	R	89.2	Confident	77.3	Confident	98 Å²	98	84.4 Å²	84.4	37%	0.37	42%	0.42	S	S	.	.	H	α-helix	trans	-60.3	-42.1	-179.9	-175.9	-179.6	-107.8	-93.3	-1.9	111.8	R542 D543 L632 N633 D635	R542-R546 WeakPolarHBondContact O-CB 3.24Å; R542-R546 PolarHBondContact O-N 2.87Å; D543-R546 PolarHBondContact O-N 2.8Å; R546-L632 PolarHBondContact NH1-O 3.4Å; R546-L632 PolarHBondContact NH2-O 2.93Å; R546-N633 VanDerWaalsContact CZ-CG 3.43Å; R546-N633 VanDerWaalsContact CZ-OD1 3.24Å; R546-N633 PolarHBondContact NE-OD1 3.29Å; R546-N633 PolarHBondContact NH1-ND2 3.36Å; R546-N633 PolarHBondContact NH1-OD1 2.88Å; R546-D635 IonicContact NE-OD2 2.69Å
547	Y	92.3	Very high	79.7	Confident	7 Å²	7	80.8 Å²	80.8	3%	0.027	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	12.2	-175.1	-46	-61	0	0	0	114.1	M539 D543 M545 R549 Q550 I551 Q561 L565 G589 N633	M539-Y547 HydrophobicContact SD-CD2 4.49Å; D543-Y547 HydrophobicContact CB-CD2 4.1Å; D543-Y547 HydrophobicContact CB-CE2 3.89Å; D543-Y547 WeakPolarHBondContact O-CD2 3.25Å; D543-Y547 PolarHBondContact O-N 3.37Å; M545-Y547 VanDerWaalsContact C-N 3.34Å; M545-Y547 PolarHBondContact O-N 2.83Å; Y547-R549 PolarHBondContact O-N 3.2Å; Y547-R549 VanDerWaalsContact O-N 3.1Å; Y547-Q550 WeakPolarHBondContact O-CA 3.48Å; Y547-Q550 WeakPolarHBondContact O-CB 3.37Å; Y547-Q550 PolarHBondContact O-N 2.97Å; Y547-I551 WeakPolarHBondContact O-CG1 3.41Å; Y547-I551 PolarHBondContact O-N 3.44Å; Y547-Q561 VanDerWaalsContact CB-CD 3.5Å; Y547-Q561 HydrophobicContact CD2-CG 4.16Å; Y547-Q561 HydrophobicContact CG-CG 4.31Å; Y547-L565 HydrophobicContact CE2-CD1 4.48Å; Y547-L565 HydrophobicContact CE2-CD2 3.91Å; Y547-G589 VanDerWaalsContact CE1-CA 3.43Å; Y547-G589 VanDerWaalsContact CZ-CA 3.4Å; Y547-G589 WeakPolarHBondContact OH-CA 3.39Å; Y547-N633 PolarHBondContact OH-ND2 3.39Å
548	S	88.2	Confident	81.8	Confident	39 Å²	39	78.3 Å²	78.3	27%	0.273	40%	0.396	S	S	.	.	H	α-helix	trans	-51.2	-38.1	-176.9	55.5	0	0	0	0	114.1	F544 M545 L552	F544-S548 WeakPolarHBondContact O-CA 3.46Å; F544-S548 WeakPolarHBondContact O-CB 3.38Å; F544-S548 PolarHBondContact O-N 3.07Å; M545-S548 PolarHBondContact O-N 3.38Å; M545-S548 PolarHBondContact O-OG 3.28Å; S548-L552 VanDerWaalsContact O-CG 3.28Å; S548-L552 WeakPolarHBondContact O-CG 3.4Å; S548-L552 PolarHBondContact O-N 3.08Å
549	R	87.2	Confident	83.3	Confident	203 Å²	203	78.1 Å²	78.1	77%	0.766	38%	0.382	S	S	*	.	H	α-helix	trans	-70.2	-30.1	177.3	-60.2	-59.4	-177.6	-177.1	-1.4	113.6	Y547	Y547-R549 PolarHBondContact O-N 3.2Å; Y547-R549 VanDerWaalsContact O-N 3.1Å
550	Q	90.4	Very high	84.3	Confident	38 Å²	38	77.1 Å²	77.1	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-78.1	-40.2	176.4	-171.1	165.2	-76.3	0	0	110.9	Y547 L552 L553 I556 A588	Y547-Q550 WeakPolarHBondContact O-CA 3.48Å; Y547-Q550 WeakPolarHBondContact O-CB 3.37Å; Y547-Q550 PolarHBondContact O-N 2.97Å; Q550-L552 PolarHBondContact O-N 3.16Å; Q550-L553 WeakPolarHBondContact O-CB 3.48Å; Q550-L553 PolarHBondContact O-N 3.38Å; Q550-L553 VanDerWaalsContact O-N 3.12Å; Q550-I556 HydrophobicContact CG-CD1 3.46Å; Q550-I556 VanDerWaalsContact CG-CD1 3.46Å; Q550-I556 HydrophobicContact CG-CG2 4.15Å; Q550-A588 PolarHBondContact NE2-O 3.12Å; Q550-A588 VanDerWaalsContact NE2-O 3.1Å
551	I	88.4	Confident	85.2	Confident	23 Å²	23	73.1 Å²	73.1	12%	0.118	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-26.8	177.4	-64.6	159.5	0	0	0	112.2	M539 F544 Y547 L553 A557 L558 Q561	M539-I551 HydrophobicContact CE-CD1 3.33Å; M539-I551 HydrophobicContact CE-CG1 4.34Å; F544-I551 HydrophobicContact CD2-CD1 4Å; F544-I551 HydrophobicContact CE2-CD1 4.35Å; F544-I551 HydrophobicContact CE2-CG2 4.38Å; Y547-I551 WeakPolarHBondContact O-CG1 3.41Å; Y547-I551 PolarHBondContact O-N 3.44Å; I551-L553 PolarHBondContact O-N 3.15Å; I551-A557 WeakPolarHBondContact O-CA 3.44Å; I551-L558 HydrophobicContact CG2-CD1 4.01Å; I551-Q561 HydrophobicContact CD1-CB 4.47Å; I551-Q561 HydrophobicContact CD1-CG 4.18Å; I551-Q561 HydrophobicContact CG1-CB 3.8Å; I551-Q561 HydrophobicContact CG1-CG 3.92Å
552	L	82.7	Confident	86.1	Confident	122 Å²	122	70.6 Å²	70.6	64%	0.639	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.3	175	-77.1	170.6	0	0	0	113.8	S548 Q550 D554	S548-L552 VanDerWaalsContact O-CG 3.28Å; S548-L552 WeakPolarHBondContact O-CG 3.4Å; S548-L552 PolarHBondContact O-N 3.08Å; Q550-L552 PolarHBondContact O-N 3.16Å; L552-D554 PolarHBondContact O-N 3.18Å
553	L	83.7	Confident	86.7	Confident	98 Å²	98	68.6 Å²	68.6	51%	0.513	34%	0.338	S	S	.	.	S	Bend	trans	-78.9	117.8	174.7	-59	174.8	0	0	0	108.6	Q550 I551 D555 I556 A557	Q550-L553 WeakPolarHBondContact O-CB 3.48Å; Q550-L553 PolarHBondContact O-N 3.38Å; Q550-L553 VanDerWaalsContact O-N 3.12Å; I551-L553 PolarHBondContact O-N 3.15Å; L553-D555 PolarHBondContact O-N 3.45Å; L553-D555 VanDerWaalsContact O-N 3.08Å; L553-I556 HydrophobicContact CD1-CD1 4.24Å; L553-I556 PolarHBondContact O-N 3.3Å; L553-A557 PolarHBondContact O-N 3.49Å
554	D	78.7	Confident	87.2	Confident	159 Å²	159	67.7 Å²	67.7	85%	0.85	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.6	-176.3	-74.2	-30.6	0	0	0	113.2	L552 I556	L552-D554 PolarHBondContact O-N 3.18Å; D554-I556 VanDerWaalsContact C-N 3.34Å; D554-I556 PolarHBondContact O-N 2.97Å
555	D	80	Confident	87.8	Confident	126 Å²	126	65 Å²	65	67%	0.674	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.1	179.7	-63.6	-52.3	0	0	0	114.3	L553 I750	L553-D555 PolarHBondContact O-N 3.45Å; L553-D555 VanDerWaalsContact O-N 3.08Å; D555-I750 HydrophobicContact CB-CD1 3.69Å; D555-I750 HydrophobicContact CB-CG1 3.93Å
556	I	86.8	Confident	88.3	Confident	13 Å²	13	64.3 Å²	64.3	7%	0.067	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-50.9	173.6	-59.8	177.2	0	0	0	109.4	Q550 L553 D554 G560 Q561 I744 I750	Q550-I556 HydrophobicContact CG-CD1 3.46Å; Q550-I556 VanDerWaalsContact CG-CD1 3.46Å; Q550-I556 HydrophobicContact CG-CG2 4.15Å; L553-I556 HydrophobicContact CD1-CD1 4.24Å; L553-I556 PolarHBondContact O-N 3.3Å; D554-I556 VanDerWaalsContact C-N 3.34Å; D554-I556 PolarHBondContact O-N 2.97Å; I556-G560 WeakPolarHBondContact O-CA 3.4Å; I556-G560 PolarHBondContact O-N 2.94Å; I556-Q561 HydrophobicContact CG2-CB 4.36Å; I556-I744 HydrophobicContact CD1-CG2 4.33Å; I556-I750 HydrophobicContact CG1-CD1 3.92Å
557	A	84.2	Confident	88.7	Confident	36 Å²	36	60.2 Å²	60.2	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	49.5	-160.3	-176.6	0	0	0	0	0	112.5	I551 L553 Q561	I551-A557 WeakPolarHBondContact O-CA 3.44Å; L553-A557 PolarHBondContact O-N 3.49Å; A557-Q561 PolarHBondContact O-N 2.91Å
558	L	84	Confident	89	Confident	24 Å²	24	61.8 Å²	61.8	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-70.7	-42.4	175.9	-154.5	87.3	0	0	0	111.1	L537 M539 F544 I551 Q561 Q562	L537-L558 HydrophobicContact CB-CD2 3.93Å; L537-L558 HydrophobicContact CD1-CD2 4.26Å; M539-L558 HydrophobicContact CE-CD1 3.95Å; F544-L558 HydrophobicContact CD2-CD1 3.76Å; F544-L558 HydrophobicContact CE2-CD1 3.7Å; I551-L558 HydrophobicContact CG2-CD1 4.01Å; L558-Q561 PolarHBondContact O-N 3.24Å; L558-Q562 PolarHBondContact O-N 3.35Å
559	D	86.8	Confident	89.5	Confident	88 Å²	88	60 Å²	60	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-44.8	-174.7	-58.8	18.4	0	0	0	112	L537 Q562 K563	L537-D559 HydrophobicContact CD1-CB 4.27Å; L537-D559 WeakPolarHBondContact CD1-OD1 3.3Å; D559-Q562 PolarHBondContact O-N 2.92Å; D559-K563 WeakPolarHBondContact O-CG 3.47Å; D559-K563 PolarHBondContact O-N 3.04Å
560	G	90.3	Very high	90	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-68.5	-34	176.7	0	0	0	0	0	112.3	I556 K563 L564	I556-G560 WeakPolarHBondContact O-CA 3.4Å; I556-G560 PolarHBondContact O-N 2.94Å; G560-K563 PolarHBondContact O-N 3.14Å; G560-L564 WeakPolarHBondContact O-CG 2.96Å; G560-L564 PolarHBondContact O-N 3.28Å; G560-L564 VanDerWaalsContact O-N 3.1Å
561	Q	93.8	Very high	90.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-42	172.5	-174.9	65.1	54.3	0	0	111.9	M539 Y547 I551 I556 A557 L558 K563 L564 L565 A588	M539-Q561 HydrophobicContact CE-CG 4.21Å; M539-Q561 HydrophobicContact SD-CB 4.42Å; M539-Q561 HydrophobicContact SD-CG 3.62Å; Y547-Q561 VanDerWaalsContact CB-CD 3.5Å; Y547-Q561 HydrophobicContact CD2-CG 4.16Å; Y547-Q561 HydrophobicContact CG-CG 4.31Å; I551-Q561 HydrophobicContact CD1-CB 4.47Å; I551-Q561 HydrophobicContact CD1-CG 4.18Å; I551-Q561 HydrophobicContact CG1-CB 3.8Å; I551-Q561 HydrophobicContact CG1-CG 3.92Å; I556-Q561 HydrophobicContact CG2-CB 4.36Å; A557-Q561 PolarHBondContact O-N 2.91Å; L558-Q561 PolarHBondContact O-N 3.24Å; Q561-K563 VanDerWaalsContact C-N 3.32Å; Q561-K563 PolarHBondContact O-N 3.44Å; Q561-L564 WeakPolarHBondContact O-CB 3.4Å; Q561-L564 PolarHBondContact O-N 2.92Å; Q561-L565 PolarHBondContact O-N 3.27Å; Q561-A588 PolarHBondContact NE2-O 2.85Å
562	Q	91	Very high	90.8	Very high	21 Å²	21	47.8 Å²	47.8	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-42.7	176.4	-173.6	62.7	63.5	0	0	110.7	L558 D559 L564 L565 D566	L558-Q562 PolarHBondContact O-N 3.35Å; D559-Q562 PolarHBondContact O-N 2.92Å; Q562-L564 VanDerWaalsContact C-N 3.29Å; Q562-L564 PolarHBondContact O-N 2.95Å; Q562-L565 PolarHBondContact O-N 3.42Å; Q562-L565 VanDerWaalsContact O-N 3.15Å; Q562-D566 PolarHBondContact NE2-OD1 3.36Å; Q562-D566 PolarHBondContact NE2-OD2 2.86Å; Q562-D566 PolarHBondContact O-N 2.88Å
563	K	93.3	Very high	91.4	Very high	103 Å²	103	42.5 Å²	42.5	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-57.7	-41.4	173.4	-70.1	175.5	-170.4	171.4	0	112.3	D559 G560 Q561 D566 S567 L747 S748	D559-K563 WeakPolarHBondContact O-CG 3.47Å; D559-K563 PolarHBondContact O-N 3.04Å; G560-K563 PolarHBondContact O-N 3.14Å; Q561-K563 VanDerWaalsContact C-N 3.32Å; Q561-K563 PolarHBondContact O-N 3.44Å; K563-D566 PolarHBondContact O-N 3.4Å; K563-S567 WeakPolarHBondContact O-CB 3.29Å; K563-S567 PolarHBondContact O-N 3.12Å; K563-S567 PolarHBondContact O-OG 3.37Å; K563-L747 WeakPolarHBondContact CB-O 3.28Å; K563-L747 WeakPolarHBondContact CD-O 3.27Å; K563-S748 PolarHBondContact NZ-O 2.77Å
564	L	95.3	Very high	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-46.8	175.6	-67.6	168.6	0	0	0	111.3	G560 Q561 Q562 D566 S567 G589 V590 G591 I744 L747	G560-L564 WeakPolarHBondContact O-CG 2.96Å; G560-L564 PolarHBondContact O-N 3.28Å; G560-L564 VanDerWaalsContact O-N 3.1Å; Q561-L564 WeakPolarHBondContact O-CB 3.4Å; Q561-L564 PolarHBondContact O-N 2.92Å; Q562-L564 VanDerWaalsContact C-N 3.29Å; Q562-L564 PolarHBondContact O-N 2.95Å; L564-D566 PolarHBondContact O-N 2.72Å; L564-S567 PolarHBondContact O-N 3.28Å; L564-S567 VanDerWaalsContact O-N 3.11Å; L564-G589 CarbonylContact C-O 3.56Å; L564-V590 HydrophobicContact CD2-CG2 4.18Å; L564-V590 CarbonylContact O-C 3.43Å; L564-V590 VanDerWaalsContact O-CA 3.28Å; L564-V590 WeakPolarHBondContact O-CA 2.85Å; L564-G591 PolarHBondContact O-N 3.44Å; L564-I744 HydrophobicContact CD1-CG2 4.17Å; L564-I744 HydrophobicContact CD2-CG1 4.47Å; L564-I744 HydrophobicContact CD2-CG2 4.36Å; L564-L747 HydrophobicContact CD2-CB 3.67Å; L564-L747 HydrophobicContact CD2-CD1 4.28Å
565	L	94.1	Very high	92.6	Very high	30 Å²	30	30.9 Å²	30.9	16%	0.157	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-27.7	176.6	-75	169.5	0	0	0	113.5	M539 D543 Y547 Q561 Q562 G589 G591	M539-L565 HydrophobicContact CG-CD1 3.59Å; M539-L565 HydrophobicContact SD-CD1 3.34Å; M539-L565 WeakPolarHBondContact SD-CD1 3.37Å; D543-L565 HydrophobicContact CB-CD1 4.22Å; Y547-L565 HydrophobicContact CE2-CD1 4.48Å; Y547-L565 HydrophobicContact CE2-CD2 3.91Å; Q561-L565 PolarHBondContact O-N 3.27Å; Q562-L565 PolarHBondContact O-N 3.42Å; Q562-L565 VanDerWaalsContact O-N 3.15Å; L565-G589 WeakPolarHBondContact CA-O 3.46Å; L565-G589 VanDerWaalsContact CD2-O 3.32Å; L565-G589 WeakPolarHBondContact CD2-O 3.49Å; L565-G589 PolarHBondContact N-O 3.48Å; L565-G591 WeakPolarHBondContact O-CA 3.12Å
566	D	94.2	Very high	93.1	Very high	118 Å²	118	25.2 Å²	25.2	63%	0.631	14%	0.142	S	C	*	.	H	α-helix	trans	-88.6	-10.1	178.6	-61.5	-20.3	0	0	0	112.6	Q562 K563 L564	Q562-D566 PolarHBondContact NE2-OD1 3.36Å; Q562-D566 PolarHBondContact NE2-OD2 2.86Å; Q562-D566 PolarHBondContact O-N 2.88Å; K563-D566 PolarHBondContact O-N 3.4Å; L564-D566 PolarHBondContact O-N 2.72Å
567	S	97.2	Very high	93.5	Very high	12 Å²	12	25.2 Å²	25.2	8%	0.084	14%	0.142	C	C	.	.			trans	-88.4	147.3	-173.6	-62.6	0	0	0	0	113.8	K563 L564 G591 T592 D658	K563-S567 WeakPolarHBondContact O-CB 3.29Å; K563-S567 PolarHBondContact O-N 3.12Å; K563-S567 PolarHBondContact O-OG 3.37Å; L564-S567 PolarHBondContact O-N 3.28Å; L564-S567 VanDerWaalsContact O-N 3.11Å; S567-G591 PolarHBondContact O-N 2.85Å; S567-T592 PolarHBondContact O-N 2.78Å; S567-D658 WeakPolarHBondContact CA-OD2 3.48Å
568	Q	98.2	Very high	94	Very high	41 Å²	41	23.5 Å²	23.5	19%	0.192	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.2	171.3	179.2	170.7	-41.5	0	0	111.5	T592 V594 Q656 D658	Q568-T592 CarbonylContact C-O 3.45Å; Q568-T592 WeakPolarHBondContact CA-O 3.27Å; Q568-T592 HydrophobicContact CG-CG2 3.91Å; Q568-V594 HydrophobicContact CG-CG2 4.24Å; Q568-Q656 VanDerWaalsContact CD-O 3.24Å; Q568-Q656 PolarHBondContact NE2-O 3.48Å; Q568-D658 PolarHBondContact N-OD2 3.01Å; Q568-D658 PolarHBondContact O-N 3.05Å
569	V	98.4	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.8	178.5	179.5	0	0	0	0	111	I571 L585 V590 T592 L593 V594 V659 L661 L747	V569-I571 HydrophobicContact CG1-CG1 4.18Å; V569-L585 HydrophobicContact CG1-CD1 4.1Å; V569-V590 HydrophobicContact CB-CG1 4.24Å; V569-V590 HydrophobicContact CG2-CG1 3.6Å; V569-T592 PolarHBondContact N-O 2.69Å; V569-L593 HydrophobicContact CB-CD2 3.85Å; V569-L593 HydrophobicContact CG2-CD2 4.47Å; V569-V594 PolarHBondContact O-N 2.87Å; V569-V659 HydrophobicContact CB-CG1 4.41Å; V569-V659 HydrophobicContact CG1-CG1 4.14Å; V569-V659 HydrophobicContact CG2-CG1 3.68Å; V569-L661 HydrophobicContact CG1-CD1 3.44Å; V569-L661 VanDerWaalsContact CG1-CD1 3.44Å; V569-L661 HydrophobicContact CG1-CG 4.19Å; V569-L747 HydrophobicContact CG2-CD1 3.6Å
570	L	98.3	Very high	95	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.1	173.2	175	63.4	0	0	0	110.3	I572 V594 L645 A653 V654 A657 V659 V660 L661	L570-I572 HydrophobicContact CD1-CG1 4.22Å; L570-I572 HydrophobicContact CD2-CD1 3.87Å; L570-I572 HydrophobicContact CD2-CG1 4.09Å; L570-I572 HydrophobicContact CG-CD1 4.15Å; L570-I572 HydrophobicContact CG-CG1 3.81Å; L570-V594 HydrophobicContact CD1-CB 3.8Å; L570-V594 HydrophobicContact CD1-CG1 3.64Å; L570-L645 HydrophobicContact CD1-CD1 4.06Å; L570-L645 HydrophobicContact CD2-CD1 4.46Å; L570-A653 HydrophobicContact CD1-CB 4.26Å; L570-A653 HydrophobicContact CD2-CB 3.69Å; L570-V654 HydrophobicContact CD2-CG2 4Å; L570-A657 HydrophobicContact CB-CB 3.68Å; L570-V659 PolarHBondContact N-O 3.49Å; L570-V660 HydrophobicContact CB-CG2 4.39Å; L570-V660 HydrophobicContact CD2-CG1 4.39Å; L570-V660 HydrophobicContact CD2-CG2 4.33Å; L570-L661 PolarHBondContact O-N 3.21Å
571	I	98.1	Very high	95.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.4	176.1	-53.7	177.8	0	0	0	108.4	V569 L574 A582 L585 V594 L595 A596 L661	V569-I571 HydrophobicContact CG1-CG1 4.18Å; I571-L574 HydrophobicContact CG2-CD2 4.13Å; I571-A582 HydrophobicContact CD1-CB 3.62Å; I571-L585 HydrophobicContact CD1-CD1 4.12Å; I571-V594 PolarHBondContact N-O 3.14Å; I571-L595 HydrophobicContact CD1-CD2 4.08Å; I571-A596 PolarHBondContact O-N 2.86Å; I571-L661 HydrophobicContact CD1-CD1 4.47Å; I571-L661 HydrophobicContact CG1-CB 4.48Å; I571-L661 HydrophobicContact CG1-CD1 3.97Å
572	I	97.3	Very high	95.6	Very high	8 Å²	8	18 Å²	18	4%	0.041	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.6	179.6	-47.5	176.5	0	0	0	108.7	L570 L645 L650 V660 L661 C663 T664 I673	L570-I572 HydrophobicContact CD1-CG1 4.22Å; L570-I572 HydrophobicContact CD2-CD1 3.87Å; L570-I572 HydrophobicContact CD2-CG1 4.09Å; L570-I572 HydrophobicContact CG-CD1 4.15Å; L570-I572 HydrophobicContact CG-CG1 3.81Å; I572-L645 HydrophobicContact CD1-CD1 4.43Å; I572-L645 HydrophobicContact CG1-CD1 4.36Å; I572-L650 HydrophobicContact CD1-CD1 3.63Å; I572-V660 HydrophobicContact CD1-CG1 3.96Å; I572-V660 HydrophobicContact CG1-CG1 4.44Å; I572-L661 PolarHBondContact N-O 3.01Å; I572-L661 VanDerWaalsContact N-O 3.08Å; I572-C663 CarbonylContact O-C 3.41Å; I572-C663 WeakPolarHBondContact O-CA 3.39Å; I572-C663 WeakPolarHBondContact O-CB 3.16Å; I572-C663 PolarHBondContact O-N 3.33Å; I572-T664 HydrophobicContact CB-CG2 4.21Å; I572-T664 HydrophobicContact CG2-CG2 3.73Å; I572-T664 WeakPolarHBondContact O-CG2 3.32Å; I572-T664 PolarHBondContact O-N 2.98Å; I572-I673 HydrophobicContact CB-CD1 3.96Å; I572-I673 HydrophobicContact CD1-CD1 3.72Å; I572-I673 HydrophobicContact CD1-CG1 3.67Å; I572-I673 HydrophobicContact CD1-CG2 4.23Å; I572-I673 HydrophobicContact CG1-CD1 4.41Å; I572-I673 HydrophobicContact CG2-CD1 3.9Å
573	G	95.3	Very high	95.9	Very high	12 Å²	12	19.1 Å²	19.1	12%	0.124	10%	0.104	C	C	.	.			trans	94	104.8	-173.5	0	0	0	0	0	112.3	G575 G578 A596 C663	G573-G575 PolarHBondContact O-N 3.17Å; G573-G578 WeakPolarHBondContact O-CA 3.44Å; G573-A596 PolarHBondContact N-O 2.82Å; G573-C663 WeakPolarHBondContact O-CB 3.45Å
574	L	95.2	Very high	96.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.			trans	-94.8	41.6	176.8	-61.5	164.3	0	0	0	110.8	I571 T579 L595 D597 F612 K621 S622	I571-L574 HydrophobicContact CG2-CD2 4.13Å; L574-T579 WeakPolarHBondContact O-CG2 3.49Å; L574-L595 HydrophobicContact CD1-CB 3.79Å; L574-L595 HydrophobicContact CD2-CB 4.18Å; L574-L595 HydrophobicContact CD2-CD2 4.05Å; L574-D597 WeakPolarHBondContact CA-OD2 3.46Å; L574-D597 HydrophobicContact CB-CB 3.96Å; L574-D597 HydrophobicContact CD1-CB 3.81Å; L574-D597 HydrophobicContact CG-CB 3.99Å; L574-D597 PolarHBondContact N-OD2 2.9Å; L574-F612 WeakPolarHBondContact O-CE2 3.25Å; L574-K621 HydrophobicContact CB-CB 4.36Å; L574-S622 VanDerWaalsContact CD1-CA 3.43Å
575	G	92.5	Very high	96.2	Very high	12 Å²	12	20.5 Å²	20.5	12%	0.124	11%	0.107	C	C	.	.	S	Bend	trans	-85	-144.4	175.5	0	0	0	0	0	112.7	G573 L577 T579	G573-G575 PolarHBondContact O-N 3.17Å; G575-L577 VanDerWaalsContact C-N 3.31Å; G575-L577 PolarHBondContact O-N 2.85Å; G575-T579 WeakPolarHBondContact O-CB 3.3Å; G575-T579 WeakPolarHBondContact O-CG2 3.22Å; G575-T579 PolarHBondContact O-N 2.99Å; G575-T579 VanDerWaalsContact O-N 3.12Å; G575-T579 PolarHBondContact O-OG1 3.24Å
576	G	91.1	Very high	96.4	Very high	7 Å²	7	19 Å²	19	7%	0.072	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.2	-175.8	0	0	0	0	0	114.7	P580 R608 V732	G576-P580 WeakPolarHBondContact O-CD 3.31Å; G576-P580 WeakPolarHBondContact O-CG 3.41Å; G576-R608 WeakPolarHBondContact CA-O 3.43Å; G576-V732 WeakPolarHBondContact O-CG2 3.33Å
577	L	94.6	Very high	96.4	Very high	13 Å²	13	15 Å²	15	7%	0.068	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-42.2	174	-69.1	92.3	0	0	0	111.6	G575 T579 P580 A581 C663 A687 V732 M735 G736	G575-L577 VanDerWaalsContact C-N 3.31Å; G575-L577 PolarHBondContact O-N 2.85Å; L577-T579 PolarHBondContact O-N 3.32Å; L577-P580 VanDerWaalsContact O-CD 3.28Å; L577-P580 WeakPolarHBondContact O-CD 3.3Å; L577-P580 VanDerWaalsContact O-CG 3.26Å; L577-P580 WeakPolarHBondContact O-CG 3.4Å; L577-A581 WeakPolarHBondContact O-CB 3.45Å; L577-A581 PolarHBondContact O-N 3.5Å; L577-A581 VanDerWaalsContact O-N 3.17Å; L577-C663 HydrophobicContact CB-CB 4.03Å; L577-A687 HydrophobicContact CD2-CB 3.59Å; L577-V732 HydrophobicContact CD1-CB 4.14Å; L577-V732 HydrophobicContact CD1-CG1 3.91Å; L577-V732 HydrophobicContact CG-CB 4.27Å; L577-M735 HydrophobicContact CD2-CB 3.69Å; L577-M735 HydrophobicContact CG-CB 4.31Å; L577-G736 WeakPolarHBondContact O-CA 3.3Å
578	G	95.8	Very high	96.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.2	-34.6	-176.7	0	0	0	0	0	113.9	G573 A581 A582	G573-G578 WeakPolarHBondContact O-CA 3.44Å; G578-A581 PolarHBondContact O-N 3.37Å; G578-A582 VanDerWaalsContact O-CB 3.24Å; G578-A582 WeakPolarHBondContact O-CB 3.49Å; G578-A582 PolarHBondContact O-N 3Å
579	T	95.1	Very high	96.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.3	-53.5	178.5	45.9	0	0	0	0	113.9	L574 G575 L577 A582 L583 Q609 L611 F612	L574-T579 WeakPolarHBondContact O-CG2 3.49Å; G575-T579 WeakPolarHBondContact O-CB 3.3Å; G575-T579 WeakPolarHBondContact O-CG2 3.22Å; G575-T579 PolarHBondContact O-N 2.99Å; G575-T579 VanDerWaalsContact O-N 3.12Å; G575-T579 PolarHBondContact O-OG1 3.24Å; L577-T579 PolarHBondContact O-N 3.32Å; T579-A582 PolarHBondContact O-N 3.49Å; T579-L583 WeakPolarHBondContact O-CG 3.5Å; T579-L583 PolarHBondContact O-N 3.46Å; T579-L583 VanDerWaalsContact O-N 3.09Å; T579-Q609 HydrophobicContact CG2-CB 4.45Å; T579-L611 HydrophobicContact CG2-CB 3.52Å; T579-L611 HydrophobicContact CG2-CD2 4.16Å; T579-F612 HydrophobicContact CG2-CD2 4.41Å; T579-F612 HydrophobicContact CG2-CE2 3.74Å; T579-F612 HydrophobicContact CG2-CZ 3.83Å
580	P	96.7	Very high	96.1	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.013	8%	0.075	C	C	.	.	H	α-helix	trans	-65.2	-37.1	173.9	25.8	-35.3	0	0	0	112.1	G576 L577 A582 L583 Y584 I610	G576-P580 WeakPolarHBondContact O-CD 3.31Å; G576-P580 WeakPolarHBondContact O-CG 3.41Å; L577-P580 VanDerWaalsContact O-CD 3.28Å; L577-P580 WeakPolarHBondContact O-CD 3.3Å; L577-P580 VanDerWaalsContact O-CG 3.26Å; L577-P580 WeakPolarHBondContact O-CG 3.4Å; P580-A582 PolarHBondContact O-N 3.21Å; P580-L583 PolarHBondContact O-N 3.36Å; P580-Y584 VanDerWaalsContact O-CD2 3.3Å; P580-Y584 WeakPolarHBondContact O-CD2 3.36Å; P580-Y584 PolarHBondContact O-N 3.34Å; P580-Y584 VanDerWaalsContact O-N 3.07Å; P580-I610 HydrophobicContact CB-CD1 4.2Å
581	A	97.6	Very high	95.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-48.1	177.3	0	0	0	0	0	111.4	L577 G578 L583 Y584 L585 G736 A740	L577-A581 WeakPolarHBondContact O-CB 3.45Å; L577-A581 PolarHBondContact O-N 3.5Å; L577-A581 VanDerWaalsContact O-N 3.17Å; G578-A581 PolarHBondContact O-N 3.37Å; A581-L583 PolarHBondContact O-N 2.98Å; A581-Y584 PolarHBondContact O-N 3.32Å; A581-L585 WeakPolarHBondContact O-CB 3.5Å; A581-L585 WeakPolarHBondContact O-CD1 3.37Å; A581-L585 WeakPolarHBondContact O-CG 3.12Å; A581-L585 PolarHBondContact O-N 2.97Å; A581-G736 WeakPolarHBondContact CA-O 3.49Å; A581-G736 WeakPolarHBondContact CB-O 3.43Å; A581-A740 HydrophobicContact CB-CB 4.46Å
582	A	97.8	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-38.7	179.1	0	0	0	0	0	112.7	I571 G578 T579 P580 A586 L595 L629	I571-A582 HydrophobicContact CD1-CB 3.62Å; G578-A582 VanDerWaalsContact O-CB 3.24Å; G578-A582 WeakPolarHBondContact O-CB 3.49Å; G578-A582 PolarHBondContact O-N 3Å; T579-A582 PolarHBondContact O-N 3.49Å; P580-A582 PolarHBondContact O-N 3.21Å; A582-A586 WeakPolarHBondContact O-CB 3.37Å; A582-A586 PolarHBondContact O-N 2.99Å; A582-L595 HydrophobicContact CB-CD2 4.2Å; A582-L629 HydrophobicContact CB-CD1 3.7Å; A582-L629 HydrophobicContact CB-CD2 4.47Å
583	L	97.3	Very high	96	Very high	43 Å²	43	14 Å²	14	23%	0.225	9%	0.086	C	C	.	.	H	α-helix	trans	-60	-50.4	175.7	-80.3	167.6	0	0	0	112.2	T579 P580 A581 G587 I610 L611 L629 L632	T579-L583 WeakPolarHBondContact O-CG 3.5Å; T579-L583 PolarHBondContact O-N 3.46Å; T579-L583 VanDerWaalsContact O-N 3.09Å; P580-L583 PolarHBondContact O-N 3.36Å; A581-L583 PolarHBondContact O-N 2.98Å; L583-G587 PolarHBondContact O-N 3.29Å; L583-I610 HydrophobicContact CD1-CD1 3.82Å; L583-I610 HydrophobicContact CD1-CG1 3.96Å; L583-L611 HydrophobicContact CD1-CD1 4.25Å; L583-L611 HydrophobicContact CD2-CD1 3.67Å; L583-L611 HydrophobicContact CG-CD1 3.96Å; L583-L629 HydrophobicContact CD2-CD2 3.92Å; L583-L629 HydrophobicContact CG-CD2 4.28Å; L583-L632 HydrophobicContact CD2-CD2 3.8Å; L583-L632 WeakPolarHBondContact O-CD2 3.49Å
584	Y	97.6	Very high	96.1	Very high	132 Å²	132	14 Å²	14	52%	0.518	8%	0.083	S	C	.	.	H	α-helix	trans	-71	-36.9	-178.1	-79.3	-71.1	0	0	0	112.6	P580 A581 G587 A588 T737	P580-Y584 VanDerWaalsContact O-CD2 3.3Å; P580-Y584 WeakPolarHBondContact O-CD2 3.36Å; P580-Y584 PolarHBondContact O-N 3.34Å; P580-Y584 VanDerWaalsContact O-N 3.07Å; A581-Y584 PolarHBondContact O-N 3.32Å; Y584-G587 PolarHBondContact O-N 3.39Å; Y584-A588 VanDerWaalsContact O-CB 3.26Å; Y584-A588 WeakPolarHBondContact O-CB 3.44Å; Y584-A588 PolarHBondContact O-N 3.4Å; Y584-T737 HydrophobicContact CD2-CG2 3.84Å; Y584-T737 HydrophobicContact CE2-CG2 3.66Å; Y584-T737 WeakPolarHBondContact CE2-OG1 3.37Å; Y584-T737 HydrophobicContact CG-CG2 4.47Å
585	L	98	Very high	96.2	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68	-40.1	175.8	-67.1	165.7	0	0	0	112.1	V569 I571 A581 G587 A588 G589 V590 L593 L661 A740 A743 I744	V569-L585 HydrophobicContact CG1-CD1 4.1Å; I571-L585 HydrophobicContact CD1-CD1 4.12Å; A581-L585 WeakPolarHBondContact O-CB 3.5Å; A581-L585 WeakPolarHBondContact O-CD1 3.37Å; A581-L585 WeakPolarHBondContact O-CG 3.12Å; A581-L585 PolarHBondContact O-N 2.97Å; L585-G587 VanDerWaalsContact C-N 3.34Å; L585-A588 PolarHBondContact O-N 3.17Å; L585-G589 PolarHBondContact O-N 3.46Å; L585-V590 HydrophobicContact CB-CB 4.5Å; L585-V590 HydrophobicContact CB-CG2 4.15Å; L585-V590 HydrophobicContact CD2-CG2 3.87Å; L585-V590 PolarHBondContact O-N 3.21Å; L585-V590 VanDerWaalsContact O-N 3.16Å; L585-L593 HydrophobicContact CB-CD1 4.2Å; L585-L593 HydrophobicContact CB-CD2 3.99Å; L585-L661 HydrophobicContact CD1-CD1 3.37Å; L585-A740 HydrophobicContact CD1-CB 4.36Å; L585-A740 HydrophobicContact CD2-CB 4.14Å; L585-A740 HydrophobicContact CG-CB 3.82Å; L585-A743 HydrophobicContact CD2-CB 3.97Å; L585-I744 HydrophobicContact CD2-CD1 4.47Å; L585-I744 HydrophobicContact CD2-CG1 3.95Å
586	A	97.4	Very high	96.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.8	-40.2	173.8	0	0	0	0	0	111.6	A582 G589 L593 L629 L632 N633 I636	A582-A586 WeakPolarHBondContact O-CB 3.37Å; A582-A586 PolarHBondContact O-N 2.99Å; A586-G589 PolarHBondContact O-N 3.19Å; A586-L593 HydrophobicContact CB-CD1 3.89Å; A586-L629 HydrophobicContact CB-CD2 3.9Å; A586-L632 HydrophobicContact CB-CD2 4.15Å; A586-N633 PolarHBondContact O-ND2 3.44Å; A586-I636 HydrophobicContact CB-CD1 3.47Å; A586-I636 VanDerWaalsContact CB-CD1 3.47Å
587	G	95.4	Very high	96.6	Very high	34 Å²	34	13.7 Å²	13.7	35%	0.351	8%	0.077	S	C	.	.	H	α-helix	trans	-65.4	-37.2	175.2	0	0	0	0	0	113.7	L583 Y584 L585 G589	L583-G587 PolarHBondContact O-N 3.29Å; Y584-G587 PolarHBondContact O-N 3.39Å; L585-G587 VanDerWaalsContact C-N 3.34Å; G587-G589 PolarHBondContact O-N 3.07Å
588	A	95.6	Very high	96.5	Very high	6 Å²	6	15.8 Å²	15.8	5%	0.05	9%	0.089	C	C	.	.	H	α-helix	trans	-75.3	-9.8	179.3	0	0	0	0	0	114	Q550 Q561 Y584 L585 I744	Q550-A588 PolarHBondContact NE2-O 3.12Å; Q550-A588 VanDerWaalsContact NE2-O 3.1Å; Q561-A588 PolarHBondContact NE2-O 2.85Å; Y584-A588 VanDerWaalsContact O-CB 3.26Å; Y584-A588 WeakPolarHBondContact O-CB 3.44Å; Y584-A588 PolarHBondContact O-N 3.4Å; L585-A588 PolarHBondContact O-N 3.17Å; A588-I744 HydrophobicContact CB-CD1 3.56Å; A588-I744 HydrophobicContact CB-CG1 4.08Å
589	G	95.2	Very high	96.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	36.1	177.4	0	0	0	0	0	114.2	Y547 L564 L565 L585 A586 G587 G591	Y547-G589 VanDerWaalsContact CE1-CA 3.43Å; Y547-G589 VanDerWaalsContact CZ-CA 3.4Å; Y547-G589 WeakPolarHBondContact OH-CA 3.39Å; L564-G589 CarbonylContact C-O 3.56Å; L565-G589 WeakPolarHBondContact CA-O 3.46Å; L565-G589 VanDerWaalsContact CD2-O 3.32Å; L565-G589 WeakPolarHBondContact CD2-O 3.49Å; L565-G589 PolarHBondContact N-O 3.48Å; L585-G589 PolarHBondContact O-N 3.46Å; A586-G589 PolarHBondContact O-N 3.19Å; G587-G589 PolarHBondContact O-N 3.07Å; G589-G591 PolarHBondContact O-N 3.3Å
590	V	97	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.			trans	-66.7	124.1	167.9	175.3	0	0	0	0	109.4	L564 V569 L585 T592 L593 I636 L747	L564-V590 HydrophobicContact CD2-CG2 4.18Å; L564-V590 CarbonylContact O-C 3.43Å; L564-V590 VanDerWaalsContact O-CA 3.28Å; L564-V590 WeakPolarHBondContact O-CA 2.85Å; V569-V590 HydrophobicContact CB-CG1 4.24Å; V569-V590 HydrophobicContact CG2-CG1 3.6Å; L585-V590 HydrophobicContact CB-CB 4.5Å; L585-V590 HydrophobicContact CB-CG2 4.15Å; L585-V590 HydrophobicContact CD2-CG2 3.87Å; L585-V590 PolarHBondContact O-N 3.21Å; L585-V590 VanDerWaalsContact O-N 3.16Å; V590-T592 PolarHBondContact O-N 3.28Å; V590-L593 HydrophobicContact CB-CD2 3.95Å; V590-L593 HydrophobicContact CG1-CD2 3.66Å; V590-I636 VanDerWaalsContact O-CG2 3.29Å; V590-I636 WeakPolarHBondContact O-CG2 3.29Å; V590-L747 HydrophobicContact CG2-CD1 4.49Å
591	G	94	Very high	96.3	Very high	12 Å²	12	22.7 Å²	22.7	12%	0.124	13%	0.125	C	C	.	.	S	Bend	trans	-55.1	-48.5	-168.7	0	0	0	0	0	115.2	L564 L565 S567 G589 Q637	L564-G591 PolarHBondContact O-N 3.44Å; L565-G591 WeakPolarHBondContact O-CA 3.12Å; S567-G591 PolarHBondContact O-N 2.85Å; G589-G591 PolarHBondContact O-N 3.3Å; G591-Q637 PolarHBondContact O-N 3.43Å
592	T	97.9	Very high	96	Very high	22 Å²	22	27.6 Å²	27.6	14%	0.135	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.1	179.2	-57.9	0	0	0	0	111.6	S567 Q568 V569 V590 V594 Q637	S567-T592 PolarHBondContact O-N 2.78Å; Q568-T592 CarbonylContact C-O 3.45Å; Q568-T592 WeakPolarHBondContact CA-O 3.27Å; Q568-T592 HydrophobicContact CG-CG2 3.91Å; V569-T592 PolarHBondContact N-O 2.69Å; V590-T592 PolarHBondContact O-N 3.28Å; T592-V594 HydrophobicContact CG2-CG2 4.38Å; T592-Q637 CarbonylContact C-O 3.59Å; T592-Q637 VanDerWaalsContact CA-O 3.28Å; T592-Q637 WeakPolarHBondContact CA-O 3.44Å; T592-Q637 HydrophobicContact CG2-CB 4.25Å; T592-Q637 HydrophobicContact CG2-CG 4.27Å
593	L	98.3	Very high	95.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.9	169.5	-56.2	-178.9	0	0	0	110.5	V569 L585 A586 V590 L595 I636 Q637 L638 T639	V569-L593 HydrophobicContact CB-CD2 3.85Å; V569-L593 HydrophobicContact CG2-CD2 4.47Å; L585-L593 HydrophobicContact CB-CD1 4.2Å; L585-L593 HydrophobicContact CB-CD2 3.99Å; A586-L593 HydrophobicContact CB-CD1 3.89Å; V590-L593 HydrophobicContact CB-CD2 3.95Å; V590-L593 HydrophobicContact CG1-CD2 3.66Å; L593-L595 HydrophobicContact CB-CD2 4.06Å; L593-I636 HydrophobicContact CD1-CD1 4.13Å; L593-I636 HydrophobicContact CG-CD1 4.46Å; L593-Q637 PolarHBondContact N-O 3.4Å; L593-L638 HydrophobicContact CB-CD2 3.84Å; L593-L638 HydrophobicContact CD1-CD2 4.16Å; L593-L638 HydrophobicContact CG-CD2 4.38Å; L593-T639 PolarHBondContact O-N 3.04Å
594	V	97.9	Very high	95.3	Very high	11 Å²	11	33.7 Å²	33.7	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.2	172.3	-174.8	0	0	0	0	108.5	Q568 V569 L570 I571 T592 T639 L641	Q568-V594 HydrophobicContact CG-CG2 4.24Å; V569-V594 PolarHBondContact O-N 2.87Å; L570-V594 HydrophobicContact CD1-CB 3.8Å; L570-V594 HydrophobicContact CD1-CG1 3.64Å; I571-V594 PolarHBondContact N-O 3.14Å; T592-V594 HydrophobicContact CG2-CG2 4.38Å; V594-T639 CarbonylContact C-O 3.47Å; V594-T639 WeakPolarHBondContact CA-O 3.5Å; V594-L641 HydrophobicContact CG1-CD1 3.54Å; V594-L641 HydrophobicContact CG1-CG 3.98Å
595	L	97.7	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	95.8	-169.1	-52	174.2	0	0	0	109.4	I571 L574 A582 L593 H626 L629 L638 T639 L641	I571-L595 HydrophobicContact CD1-CD2 4.08Å; L574-L595 HydrophobicContact CD1-CB 3.79Å; L574-L595 HydrophobicContact CD2-CB 4.18Å; L574-L595 HydrophobicContact CD2-CD2 4.05Å; A582-L595 HydrophobicContact CB-CD2 4.2Å; L593-L595 HydrophobicContact CB-CD2 4.06Å; L595-H626 HydrophobicContact CD1-CB 4.36Å; L595-L629 HydrophobicContact CD1-CD1 3.77Å; L595-L629 HydrophobicContact CD2-CD1 4.06Å; L595-L638 HydrophobicContact CD1-CD2 4.02Å; L595-T639 PolarHBondContact N-O 3.24Å; L595-L641 PolarHBondContact O-N 2.92Å
596	A	96.6	Very high	94.6	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.5	-176.6	0	0	0	0	0	112.3	I571 G573 L641 L645	I571-A596 PolarHBondContact O-N 2.86Å; G573-A596 PolarHBondContact N-O 2.82Å; A596-L641 WeakPolarHBondContact CA-O 3.34Å; A596-L641 HydrophobicContact CB-CB 4.15Å; A596-L645 HydrophobicContact CB-CD1 3.46Å; A596-L645 VanDerWaalsContact CB-CD1 3.46Å; A596-L645 HydrophobicContact CB-CG 3.92Å
597	D	95.5	Very high	94.2	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.053	20%	0.202	C	C	.	.			trans	-159.9	132.1	173.6	-161.2	-57.1	0	0	0	110.3	L574 D599 K621 L641 H642	L574-D597 WeakPolarHBondContact CA-OD2 3.46Å; L574-D597 HydrophobicContact CB-CB 3.96Å; L574-D597 HydrophobicContact CD1-CB 3.81Å; L574-D597 HydrophobicContact CG-CB 3.99Å; L574-D597 PolarHBondContact N-OD2 2.9Å; D597-D599 WeakPolarHBondContact OD1-CB 3.49Å; D597-D599 PolarHBondContact OD1-N 3.24Å; D597-K621 HydrophobicContact CB-CB 4.26Å; D597-L641 PolarHBondContact N-O 3.47Å; D597-L641 VanDerWaalsContact N-O 3.1Å; D597-H642 WeakPolarHBondContact O-CA 3.36Å; D597-H642 PolarHBondContact O-ND1 2.98Å; D597-H642 VanDerWaalsContact O-ND1 3.15Å
598	D	92.9	Very high	93.9	Very high	58 Å²	58	36.3 Å²	36.3	31%	0.31	19%	0.193	S	C	.	.			trans	-92	-7	179.9	58	-44.6	0	0	0	114.8	H642 R644	D598-H642 PolarHBondContact O-CE1 2.76Å; D598-H642 VanDerWaalsContact O-CE1 3.29Å; D598-R644 HydrophobicContact CB-CB 4.08Å; D598-R644 IonicContact OD1-NE 2.73Å; D598-R644 IonicContact OD1-NH2 3.93Å; D598-R644 IonicContact OD2-CZ 3.3Å; D598-R644 VanDerWaalsContact OD2-CZ 3.29Å; D598-R644 IonicContact OD2-NE 2.89Å; D598-R644 PolarHBondContact OD2-NE 2.79Å; D598-R644 IonicContact OD2-NH2 3.7Å; D598-R644 PolarHBondContact OD2-NH2 3.35Å
599	D	92.6	Very high	93.8	Very high	72 Å²	72	36.2 Å²	36.2	39%	0.385	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-92	156.2	-178.8	-71.4	-22.7	0	0	0	112.9	D597 K621	D597-D599 WeakPolarHBondContact OD1-CB 3.49Å; D597-D599 PolarHBondContact OD1-N 3.24Å; D599-K621 HydrophobicContact CB-CD 3.97Å; D599-K621 WeakPolarHBondContact O-CB 3.1Å; D599-K621 WeakPolarHBondContact O-CG 3.44Å; D599-K621 PolarHBondContact O-N 3.07Å; D599-K621 IonicContact OD2-NZ 3.35Å; D599-K621 PolarHBondContact OD2-NZ 3.4Å
600	D	95.8	Very high	93.6	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-87.4	157.2	163.6	-63.8	-35.7	0	0	0	111.6	H602 R619 P620 K621 H642	D600-H602 PolarHBondContact O-N 3.43Å; D600-R619 CarbonylContact C-O 3.6Å; D600-R619 WeakPolarHBondContact CA-O 3.46Å; D600-P620 WeakPolarHBondContact OD1-CA 3.07Å; D600-K621 WeakPolarHBondContact O-CE 3.41Å; D600-H642 IonicContact OD1-CE1 3.91Å
601	V	94.4	Very high	93.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-65.1	124.1	173.5	177.2	0	0	0	0	109	L606 F612 D616 I617 D618 R619 K621 V624	V601-L606 HydrophobicContact CG1-CD2 3.64Å; V601-F612 HydrophobicContact CG1-CB 3.83Å; V601-F612 HydrophobicContact CG1-CD2 4.3Å; V601-F612 HydrophobicContact CG1-CG 4.18Å; V601-F612 HydrophobicContact CG2-CB 4.12Å; V601-F612 HydrophobicContact CG2-CD1 3.88Å; V601-F612 HydrophobicContact CG2-CD2 3.85Å; V601-F612 HydrophobicContact CG2-CE1 4.26Å; V601-F612 HydrophobicContact CG2-CE2 4.24Å; V601-F612 HydrophobicContact CG2-CG 3.67Å; V601-F612 HydrophobicContact CG2-CZ 4.43Å; V601-D616 VanDerWaalsContact CB-O 3.3Å; V601-D616 WeakPolarHBondContact CB-O 3.43Å; V601-D616 HydrophobicContact CG1-CB 4.35Å; V601-D616 HydrophobicContact CG2-CB 4.35Å; V601-I617 WeakPolarHBondContact O-CA 3.2Å; V601-D618 PolarHBondContact O-N 3.46Å; V601-R619 PolarHBondContact N-O 3.23Å; V601-K621 HydrophobicContact CG2-CG 3.88Å; V601-V624 HydrophobicContact CG2-CG2 4.44Å
602	H	92.3	Very high	93.5	Very high	102 Å²	102	42.4 Å²	42.4	47%	0.472	22%	0.22	S	C	.	.			trans	-121.3	140.3	-179.1	-171.9	-90.1	0	0	0	111.2	D600 S604 N605	D600-H602 PolarHBondContact O-N 3.43Å; H602-S604 VanDerWaalsContact C-N 3.27Å; H602-S604 PolarHBondContact CE1-OG 3.35Å; H602-S604 PolarHBondContact ND1-N 3.41Å; H602-S604 PolarHBondContact ND1-OG 3.17Å; H602-S604 PolarHBondContact O-N 3.22Å; H602-S604 VanDerWaalsContact O-N 3.13Å; H602-N605 WeakPolarHBondContact O-CB 3.35Å; H602-N605 PolarHBondContact O-N 3.38Å
603	L	90.7	Very high	93.3	Very high	107 Å²	107	44.2 Å²	44.2	56%	0.56	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-51	-42.7	-175.5	180	64	0	0	0	113.4	N605 L606 I617	L603-N605 PolarHBondContact O-N 2.73Å; L603-L606 HydrophobicContact CD1-CD1 4.15Å; L603-L606 PolarHBondContact O-N 3.34Å; L603-I617 HydrophobicContact CB-CD1 4.01Å; L603-I617 HydrophobicContact CD1-CD1 3.9Å
604	S	88.5	Confident	93.1	Very high	65 Å²	65	49 Å²	49	46%	0.455	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-67.9	-0.9	-178.7	71	0	0	0	0	114.8	H602 Q607 R608	H602-S604 VanDerWaalsContact C-N 3.27Å; H602-S604 PolarHBondContact CE1-OG 3.35Å; H602-S604 PolarHBondContact ND1-N 3.41Å; H602-S604 PolarHBondContact ND1-OG 3.17Å; H602-S604 PolarHBondContact O-N 3.22Å; H602-S604 VanDerWaalsContact O-N 3.13Å; S604-Q607 PolarHBondContact O-NE2 2.9Å; S604-Q607 PolarHBondContact O-OE1 3.41Å; S604-R608 PolarHBondContact O-NH1 2.82Å
605	N	90.2	Very high	92.9	Very high	29 Å²	29	56.3 Å²	56.3	16%	0.155	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-112.7	-16.3	-178.1	-75.2	-148.5	0	0	0	113.5	H602 L603 Q607 R608 Q609	H602-N605 WeakPolarHBondContact O-CB 3.35Å; H602-N605 PolarHBondContact O-N 3.38Å; L603-N605 PolarHBondContact O-N 2.73Å; N605-Q607 VanDerWaalsContact C-N 3.26Å; N605-Q607 VanDerWaalsContact C-OE1 3.26Å; N605-Q607 PolarHBondContact O-N 2.9Å; N605-R608 PolarHBondContact ND2-NH2 3.03Å; N605-R608 VanDerWaalsContact ND2-NH2 3.12Å; N605-R608 WeakPolarHBondContact O-CG 3.48Å; N605-R608 PolarHBondContact O-N 3.39Å; N605-R608 PolarHBondContact OD1-NH2 3.08Å; N605-R608 VanDerWaalsContact OD1-NH2 3.12Å; N605-Q609 HydrophobicContact CB-CG 4.49Å; N605-Q609 WeakPolarHBondContact O-CG 3.36Å; N605-Q609 PolarHBondContact O-N 3.06Å; N605-Q609 PolarHBondContact OD1-NE2 3.09Å
606	L	91	Very high	92.8	Very high	31 Å²	31	56.4 Å²	56.4	16%	0.162	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.9	-174.4	-67.3	-177.3	0	0	0	113.6	V601 L603 R608 Q609 F612 I617	V601-L606 HydrophobicContact CG1-CD2 3.64Å; L603-L606 HydrophobicContact CD1-CD1 4.15Å; L603-L606 PolarHBondContact O-N 3.34Å; L606-R608 PolarHBondContact O-N 3.1Å; L606-Q609 PolarHBondContact O-N 2.7Å; L606-F612 HydrophobicContact CD2-CB 3.73Å; L606-I617 HydrophobicContact CD1-CD1 4.28Å; L606-I617 HydrophobicContact CD1-CG1 4.26Å
607	Q	88.3	Confident	92.7	Very high	118 Å²	118	58.5 Å²	58.5	55%	0.551	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.7	-11.2	178.9	76.6	-77.2	7.1	0	0	114.5	S604 N605	S604-Q607 PolarHBondContact O-NE2 2.9Å; S604-Q607 PolarHBondContact O-OE1 3.41Å; N605-Q607 VanDerWaalsContact C-N 3.26Å; N605-Q607 VanDerWaalsContact C-OE1 3.26Å; N605-Q607 PolarHBondContact O-N 2.9Å
608	R	89.9	Confident	92.7	Very high	43 Å²	43	64 Å²	64	16%	0.162	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-133.7	-2.3	-178.8	72.2	-178.4	178.7	-75.9	-4.1	114	G576 S604 N605 L606 V727 V732	G576-R608 WeakPolarHBondContact CA-O 3.43Å; S604-R608 PolarHBondContact O-NH1 2.82Å; N605-R608 PolarHBondContact ND2-NH2 3.03Å; N605-R608 VanDerWaalsContact ND2-NH2 3.12Å; N605-R608 WeakPolarHBondContact O-CG 3.48Å; N605-R608 PolarHBondContact O-N 3.39Å; N605-R608 PolarHBondContact OD1-NH2 3.08Å; N605-R608 VanDerWaalsContact OD1-NH2 3.12Å; L606-R608 PolarHBondContact O-N 3.1Å; R608-V727 VanDerWaalsContact CD-CG1 3.49Å; R608-V732 HydrophobicContact CB-CG2 3.78Å; R608-V732 HydrophobicContact CG-CG2 4.47Å
609	Q	93	Very high	92.8	Very high	3 Å²	3	65 Å²	65	1%	0.014	33%	0.334	C	S	.	.			trans	-114.1	82.3	-177.6	-69.1	178.3	0.2	0	0	109.2	T579 N605 L606 L611 F612	T579-Q609 HydrophobicContact CG2-CB 4.45Å; N605-Q609 HydrophobicContact CB-CG 4.49Å; N605-Q609 WeakPolarHBondContact O-CG 3.36Å; N605-Q609 PolarHBondContact O-N 3.06Å; N605-Q609 PolarHBondContact OD1-NE2 3.09Å; L606-Q609 PolarHBondContact O-N 2.7Å; Q609-L611 PolarHBondContact O-N 3.39Å; Q609-L611 VanDerWaalsContact O-N 3.08Å; Q609-F612 HydrophobicContact CB-CD2 3.72Å; Q609-F612 HydrophobicContact CB-CE2 4.14Å; Q609-F612 HydrophobicContact CG-CD2 4.46Å; Q609-F612 PolarHBondContact O-N 3.37Å
610	I	91.4	Very high	93	Very high	117 Å²	117	62.8 Å²	62.8	60%	0.6	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.8	-166.8	61.9	169.6	0	0	0	115.1	P580 L583	P580-I610 HydrophobicContact CB-CD1 4.2Å; L583-I610 HydrophobicContact CD1-CD1 3.82Å; L583-I610 HydrophobicContact CD1-CG1 3.96Å
611	L	94.2	Very high	93.1	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-20.7	178.9	-168.5	58.9	0	0	0	113	T579 L583 Q609 S625 R628 L629	T579-L611 HydrophobicContact CG2-CB 3.52Å; T579-L611 HydrophobicContact CG2-CD2 4.16Å; L583-L611 HydrophobicContact CD1-CD1 4.25Å; L583-L611 HydrophobicContact CD2-CD1 3.67Å; L583-L611 HydrophobicContact CG-CD1 3.96Å; Q609-L611 PolarHBondContact O-N 3.39Å; Q609-L611 VanDerWaalsContact O-N 3.08Å; L611-S625 WeakPolarHBondContact CD2-OG 3.31Å; L611-R628 HydrophobicContact CD1-CB 3.53Å; L611-R628 HydrophobicContact CD1-CG 4.19Å; L611-R628 HydrophobicContact CG-CB 4Å; L611-R628 HydrophobicContact CG-CG 4.3Å; L611-L629 HydrophobicContact CD1-CD2 4.46Å; L611-L629 HydrophobicContact CD2-CG 4.38Å
612	F	95.3	Very high	93.2	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.053	31%	0.305	C	S	.	.			trans	-107.9	148	-172.8	-48.2	-47.4	0	0	0	111	L574 T579 V601 L606 Q609 D616 K621 V624 S625	L574-F612 WeakPolarHBondContact O-CE2 3.25Å; T579-F612 HydrophobicContact CG2-CD2 4.41Å; T579-F612 HydrophobicContact CG2-CE2 3.74Å; T579-F612 HydrophobicContact CG2-CZ 3.83Å; V601-F612 HydrophobicContact CG1-CB 3.83Å; V601-F612 HydrophobicContact CG1-CD2 4.3Å; V601-F612 HydrophobicContact CG1-CG 4.18Å; V601-F612 HydrophobicContact CG2-CB 4.12Å; V601-F612 HydrophobicContact CG2-CD1 3.88Å; V601-F612 HydrophobicContact CG2-CD2 3.85Å; V601-F612 HydrophobicContact CG2-CE1 4.26Å; V601-F612 HydrophobicContact CG2-CE2 4.24Å; V601-F612 HydrophobicContact CG2-CG 3.67Å; V601-F612 HydrophobicContact CG2-CZ 4.43Å; L606-F612 HydrophobicContact CD2-CB 3.73Å; Q609-F612 HydrophobicContact CB-CD2 3.72Å; Q609-F612 HydrophobicContact CB-CE2 4.14Å; Q609-F612 HydrophobicContact CG-CD2 4.46Å; Q609-F612 PolarHBondContact O-N 3.37Å; F612-D616 HydrophobicContact CB-CB 4.43Å; F612-K621 HydrophobicContact CE2-CB 4.22Å; F612-K621 HydrophobicContact CE2-CD 4.2Å; F612-K621 HydrophobicContact CE2-CG 3.83Å; F612-K621 HydrophobicContact CZ-CB 3.79Å; F612-K621 HydrophobicContact CZ-CG 3.93Å; F612-V624 HydrophobicContact CD1-CB 4.06Å; F612-V624 HydrophobicContact CD1-CG1 3.6Å; F612-V624 HydrophobicContact CE1-CB 4.03Å; F612-V624 HydrophobicContact CE1-CG1 4.01Å; F612-S625 VanDerWaalsContact CE1-OG 3.31Å; F612-S625 WeakPolarHBondContact CE1-OG 3.24Å; F612-S625 WeakPolarHBondContact CZ-OG 3.32Å
613	T	93.3	Very high	93.4	Very high	59 Å²	59	59.2 Å²	59.2	36%	0.362	30%	0.304	S	S	.	.			trans	-113.5	174	174.3	72.1	0	0	0	0	111	E615 D616	T613-E615 PolarHBondContact O-N 3.07Å; T613-E615 PolarHBondContact OG1-N 2.9Å; T613-D616 PolarHBondContact N-OD2 3.2Å; T613-D616 VanDerWaalsContact N-OD2 3.13Å; T613-D616 WeakPolarHBondContact O-CB 3.49Å; T613-D616 PolarHBondContact O-N 3.03Å; T613-D616 PolarHBondContact OG1-OD2 3.34Å
614	T	94.1	Very high	93.6	Very high	100 Å²	100	54.1 Å²	54.1	61%	0.613	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26.1	174.5	-49.1	0	0	0	0	112.7	D616 I617	T614-D616 PolarHBondContact O-N 3.31Å; T614-I617 HydrophobicContact CG2-CD1 3.83Å; T614-I617 VanDerWaalsContact O-CD1 3.32Å; T614-I617 WeakPolarHBondContact O-CD1 3.28Å; T614-I617 VanDerWaalsContact O-CG1 3.32Å; T614-I617 WeakPolarHBondContact O-CG1 3.46Å
615	E	94.3	Very high	94	Very high	166 Å²	166	51 Å²	51	78%	0.776	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-73.3	-16.1	176.9	-60.7	179.4	164.2	0	0	112.9	T613	T613-E615 PolarHBondContact O-N 3.07Å; T613-E615 PolarHBondContact OG1-N 2.9Å
616	D	95.3	Very high	94.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-91.8	-2.5	-176.5	-65.9	-47.6	0	0	0	113.3	V601 F612 T613 T614 R619 V624 R628	V601-D616 VanDerWaalsContact CB-O 3.3Å; V601-D616 WeakPolarHBondContact CB-O 3.43Å; V601-D616 HydrophobicContact CG1-CB 4.35Å; V601-D616 HydrophobicContact CG2-CB 4.35Å; F612-D616 HydrophobicContact CB-CB 4.43Å; T613-D616 PolarHBondContact N-OD2 3.2Å; T613-D616 VanDerWaalsContact N-OD2 3.13Å; T613-D616 WeakPolarHBondContact O-CB 3.49Å; T613-D616 PolarHBondContact O-N 3.03Å; T613-D616 PolarHBondContact OG1-OD2 3.34Å; T614-D616 PolarHBondContact O-N 3.31Å; D616-R619 VanDerWaalsContact O-CB 3.25Å; D616-R619 WeakPolarHBondContact O-CB 3.27Å; D616-R619 WeakPolarHBondContact O-CG 3.49Å; D616-R619 PolarHBondContact O-N 3.39Å; D616-R619 IonicContact OD1-CZ 3.02Å; D616-R619 IonicContact OD1-NH1 3.54Å; D616-R619 PolarHBondContact OD1-NH1 3.32Å; D616-V624 HydrophobicContact CB-CG1 3.97Å; D616-V624 HydrophobicContact CB-CG2 4.28Å; D616-R628 IonicContact OD1-NH2 3.99Å; D616-R628 IonicContact OD2-CZ 2.84Å; D616-R628 IonicContact OD2-NE 3.17Å; D616-R628 IonicContact OD2-NH2 2.86Å; D616-R628 PolarHBondContact OD2-NH2 2.98Å
617	I	94.4	Very high	94.6	Very high	47 Å²	47	55.6 Å²	55.6	24%	0.241	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	141	179.9	-65.9	170	0	0	0	111.1	V601 L603 L606 T614 R619	V601-I617 WeakPolarHBondContact O-CA 3.2Å; L603-I617 HydrophobicContact CB-CD1 4.01Å; L603-I617 HydrophobicContact CD1-CD1 3.9Å; L606-I617 HydrophobicContact CD1-CD1 4.28Å; L606-I617 HydrophobicContact CD1-CG1 4.26Å; T614-I617 HydrophobicContact CG2-CD1 3.83Å; T614-I617 VanDerWaalsContact O-CD1 3.32Å; T614-I617 WeakPolarHBondContact O-CD1 3.28Å; T614-I617 VanDerWaalsContact O-CG1 3.32Å; T614-I617 WeakPolarHBondContact O-CG1 3.46Å; I617-R619 PolarHBondContact O-N 2.69Å
618	D	94.5	Very high	94.9	Very high	124 Å²	124	53.3 Å²	53.3	66%	0.663	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	14.5	-177.4	-53.9	-37.6	0	0	0	114.8	V601	V601-D618 PolarHBondContact O-N 3.46Å
619	R	96.1	Very high	95.2	Very high	81 Å²	81	51.3 Å²	51.3	31%	0.306	25%	0.254	S	S	.	.	S	Bend	trans	-103.8	146.6	172.6	-55.3	175.3	66.5	-158.8	-3.7	110.8	D600 V601 D616 I617 K621 V624	D600-R619 CarbonylContact C-O 3.6Å; D600-R619 WeakPolarHBondContact CA-O 3.46Å; V601-R619 PolarHBondContact N-O 3.23Å; D616-R619 VanDerWaalsContact O-CB 3.25Å; D616-R619 WeakPolarHBondContact O-CB 3.27Å; D616-R619 WeakPolarHBondContact O-CG 3.49Å; D616-R619 PolarHBondContact O-N 3.39Å; D616-R619 IonicContact OD1-CZ 3.02Å; D616-R619 IonicContact OD1-NH1 3.54Å; D616-R619 PolarHBondContact OD1-NH1 3.32Å; I617-R619 PolarHBondContact O-N 2.69Å; R619-K621 PolarHBondContact O-N 3.28Å; R619-V624 HydrophobicContact CB-CG2 3.6Å
620	P	96.7	Very high	95.4	Very high	24 Å²	24	53.8 Å²	53.8	16%	0.156	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-56.9	123.5	177.4	-30.8	37.9	0	0	0	113.1	D600 S622 Q623 V624	D600-P620 WeakPolarHBondContact OD1-CA 3.07Å; P620-S622 PolarHBondContact O-N 3.23Å; P620-Q623 HydrophobicContact CB-CB 4.1Å; P620-Q623 HydrophobicContact CB-CG 3.93Å; P620-Q623 HydrophobicContact CG-CG 4.45Å; P620-Q623 PolarHBondContact O-N 2.7Å; P620-Q623 VanDerWaalsContact O-N 3.08Å; P620-V624 WeakPolarHBondContact O-CG2 3.28Å; P620-V624 PolarHBondContact O-N 2.84Å
621	K	97	Very high	95.5	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-54.9	-40.3	-178.6	-73	177.1	-171.1	158.9	0	112.3	L574 D597 D599 D600 V601 F612 R619 S625	L574-K621 HydrophobicContact CB-CB 4.36Å; D597-K621 HydrophobicContact CB-CB 4.26Å; D599-K621 HydrophobicContact CB-CD 3.97Å; D599-K621 WeakPolarHBondContact O-CB 3.1Å; D599-K621 WeakPolarHBondContact O-CG 3.44Å; D599-K621 PolarHBondContact O-N 3.07Å; D599-K621 IonicContact OD2-NZ 3.35Å; D599-K621 PolarHBondContact OD2-NZ 3.4Å; D600-K621 WeakPolarHBondContact O-CE 3.41Å; V601-K621 HydrophobicContact CG2-CG 3.88Å; F612-K621 HydrophobicContact CE2-CB 4.22Å; F612-K621 HydrophobicContact CE2-CD 4.2Å; F612-K621 HydrophobicContact CE2-CG 3.83Å; F612-K621 HydrophobicContact CZ-CB 3.79Å; F612-K621 HydrophobicContact CZ-CG 3.93Å; R619-K621 PolarHBondContact O-N 3.28Å; K621-S625 VanDerWaalsContact O-CB 3.22Å; K621-S625 WeakPolarHBondContact O-CB 3.37Å; K621-S625 PolarHBondContact O-N 3.31Å; K621-S625 PolarHBondContact O-OG 3.22Å
622	S	96.3	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-40.3	179.1	54.3	0	0	0	0	113	L574 P620 H626 A640 H642	L574-S622 VanDerWaalsContact CD1-CA 3.43Å; P620-S622 PolarHBondContact O-N 3.23Å; S622-H626 WeakPolarHBondContact O-CB 3.46Å; S622-H626 PolarHBondContact O-N 3.13Å; S622-A640 WeakPolarHBondContact O-CB 3.14Å; S622-H642 WeakPolarHBondContact OG-CA 3.45Å; S622-H642 WeakPolarHBondContact OG-CB 3.34Å
623	Q	96.3	Very high	95.4	Very high	97 Å²	97	57.1 Å²	57.1	45%	0.453	28%	0.284	S	S	.	.	H	α-helix	trans	-71.8	-42.8	177.4	-64.4	-177.8	3.9	0	0	112	P620 S625 H626 Q627	P620-Q623 HydrophobicContact CB-CB 4.1Å; P620-Q623 HydrophobicContact CB-CG 3.93Å; P620-Q623 HydrophobicContact CG-CG 4.45Å; P620-Q623 PolarHBondContact O-N 2.7Å; P620-Q623 VanDerWaalsContact O-N 3.08Å; Q623-S625 VanDerWaalsContact C-N 3.33Å; Q623-H626 PolarHBondContact O-N 3.26Å; Q623-Q627 WeakPolarHBondContact O-CG 3.5Å; Q623-Q627 PolarHBondContact O-N 3.36Å
624	V	96.1	Very high	95.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-42.3	176.3	-178.9	0	0	0	0	110.1	V601 F612 D616 R619 P620 H626 Q627 R628	V601-V624 HydrophobicContact CG2-CG2 4.44Å; F612-V624 HydrophobicContact CD1-CB 4.06Å; F612-V624 HydrophobicContact CD1-CG1 3.6Å; F612-V624 HydrophobicContact CE1-CB 4.03Å; F612-V624 HydrophobicContact CE1-CG1 4.01Å; D616-V624 HydrophobicContact CB-CG1 3.97Å; D616-V624 HydrophobicContact CB-CG2 4.28Å; R619-V624 HydrophobicContact CB-CG2 3.6Å; P620-V624 WeakPolarHBondContact O-CG2 3.28Å; P620-V624 PolarHBondContact O-N 2.84Å; V624-H626 PolarHBondContact O-N 3.22Å; V624-Q627 PolarHBondContact O-N 3.05Å; V624-R628 HydrophobicContact CG1-CG 4.17Å; V624-R628 VanDerWaalsContact O-CG 3.32Å; V624-R628 WeakPolarHBondContact O-CG 3.33Å; V624-R628 PolarHBondContact O-N 2.9Å
625	S	96.6	Very high	95.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-45.6	176.8	-59.6	0	0	0	0	111.6	L611 F612 K621 Q623 Q627 R628 L629	L611-S625 WeakPolarHBondContact CD2-OG 3.31Å; F612-S625 VanDerWaalsContact CE1-OG 3.31Å; F612-S625 WeakPolarHBondContact CE1-OG 3.24Å; F612-S625 WeakPolarHBondContact CZ-OG 3.32Å; K621-S625 VanDerWaalsContact O-CB 3.22Å; K621-S625 WeakPolarHBondContact O-CB 3.37Å; K621-S625 PolarHBondContact O-N 3.31Å; K621-S625 PolarHBondContact O-OG 3.22Å; Q623-S625 VanDerWaalsContact C-N 3.33Å; S625-Q627 PolarHBondContact O-N 2.85Å; S625-R628 PolarHBondContact O-N 3.15Å; S625-L629 VanDerWaalsContact O-CB 3.32Å; S625-L629 WeakPolarHBondContact O-CB 3.42Å; S625-L629 WeakPolarHBondContact O-CG 3.27Å; S625-L629 PolarHBondContact O-N 3.27Å
626	H	97.3	Very high	95.2	Very high	66 Å²	66	48.6 Å²	48.6	31%	0.306	24%	0.242	S	C	.	.	H	α-helix	trans	-56.2	-49.8	173.8	177.6	-55.7	0	0	0	111.1	L595 S622 Q623 V624 R628 L629 T630 L638 A640	L595-H626 HydrophobicContact CD1-CB 4.36Å; S622-H626 WeakPolarHBondContact O-CB 3.46Å; S622-H626 PolarHBondContact O-N 3.13Å; Q623-H626 PolarHBondContact O-N 3.26Å; V624-H626 PolarHBondContact O-N 3.22Å; H626-R628 PolarHBondContact O-N 3.44Å; H626-L629 PolarHBondContact O-N 2.88Å; H626-T630 PolarHBondContact CE1-OG1 3.04Å; H626-T630 PolarHBondContact ND1-OG1 2.88Å; H626-T630 WeakPolarHBondContact O-CB 3.38Å; H626-T630 PolarHBondContact O-N 3.23Å; H626-T630 PolarHBondContact O-OG1 2.79Å; H626-L638 PolarHBondContact CD2-O 2.86Å; H626-L638 PolarHBondContact NE2-O 3.04Å; H626-A640 HydrophobicContact CB-CB 4.01Å
627	Q	95.6	Very high	95.3	Very high	90 Å²	90	54.4 Å²	54.4	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-46.1	-179.9	-71.3	177.8	-3.4	0	0	112.7	Q623 V624 S625 Q631	Q623-Q627 WeakPolarHBondContact O-CG 3.5Å; Q623-Q627 PolarHBondContact O-N 3.36Å; V624-Q627 PolarHBondContact O-N 3.05Å; S625-Q627 PolarHBondContact O-N 2.85Å; Q627-Q631 WeakPolarHBondContact O-CG 3.23Å; Q627-Q631 PolarHBondContact O-N 3.21Å
628	R	95.3	Very high	95.4	Very high	70 Å²	70	53 Å²	53	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-69.3	-39.7	-178.6	-64	-67.6	-174.9	-169.9	-0	112.3	L611 D616 V624 S625 H626 Q631 L632	L611-R628 HydrophobicContact CD1-CB 3.53Å; L611-R628 HydrophobicContact CD1-CG 4.19Å; L611-R628 HydrophobicContact CG-CB 4Å; L611-R628 HydrophobicContact CG-CG 4.3Å; D616-R628 IonicContact OD1-NH2 3.99Å; D616-R628 IonicContact OD2-CZ 2.84Å; D616-R628 IonicContact OD2-NE 3.17Å; D616-R628 IonicContact OD2-NH2 2.86Å; D616-R628 PolarHBondContact OD2-NH2 2.98Å; V624-R628 HydrophobicContact CG1-CG 4.17Å; V624-R628 VanDerWaalsContact O-CG 3.32Å; V624-R628 WeakPolarHBondContact O-CG 3.33Å; V624-R628 PolarHBondContact O-N 2.9Å; S625-R628 PolarHBondContact O-N 3.15Å; H626-R628 PolarHBondContact O-N 3.44Å; R628-Q631 WeakPolarHBondContact O-CB 3.41Å; R628-Q631 PolarHBondContact O-N 2.89Å; R628-L632 PolarHBondContact O-N 2.59Å; R628-L632 VanDerWaalsContact O-N 3.14Å
629	L	96.7	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-72.7	-33.9	178.8	-64.5	171.2	0	0	0	112	A582 L583 A586 L595 L611 S625 H626 Q631 L632 N633 L638	A582-L629 HydrophobicContact CB-CD1 3.7Å; A582-L629 HydrophobicContact CB-CD2 4.47Å; L583-L629 HydrophobicContact CD2-CD2 3.92Å; L583-L629 HydrophobicContact CG-CD2 4.28Å; A586-L629 HydrophobicContact CB-CD2 3.9Å; L595-L629 HydrophobicContact CD1-CD1 3.77Å; L595-L629 HydrophobicContact CD2-CD1 4.06Å; L611-L629 HydrophobicContact CD1-CD2 4.46Å; L611-L629 HydrophobicContact CD2-CG 4.38Å; S625-L629 VanDerWaalsContact O-CB 3.32Å; S625-L629 WeakPolarHBondContact O-CB 3.42Å; S625-L629 WeakPolarHBondContact O-CG 3.27Å; S625-L629 PolarHBondContact O-N 3.27Å; H626-L629 PolarHBondContact O-N 2.88Å; L629-Q631 PolarHBondContact O-N 3.48Å; L629-L632 HydrophobicContact CD2-CD2 4.27Å; L629-L632 WeakPolarHBondContact O-CB 3.41Å; L629-L632 PolarHBondContact O-N 3.45Å; L629-L632 VanDerWaalsContact O-N 3.12Å; L629-N633 PolarHBondContact O-N 3.25Å; L629-L638 HydrophobicContact CB-CD1 3.67Å; L629-L638 HydrophobicContact CB-CD2 3.97Å; L629-L638 HydrophobicContact CD1-CD2 4.13Å
630	T	96.6	Very high	95.6	Very high	55 Å²	55	47.2 Å²	47.2	34%	0.337	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-35.2	170.6	-57	0	0	0	0	111.5	H626 N633 P634 L638	H626-T630 PolarHBondContact CE1-OG1 3.04Å; H626-T630 PolarHBondContact ND1-OG1 2.88Å; H626-T630 WeakPolarHBondContact O-CB 3.38Å; H626-T630 PolarHBondContact O-N 3.23Å; H626-T630 PolarHBondContact O-OG1 2.79Å; T630-N633 CarbonylContact O-C 3.53Å; T630-P634 VanDerWaalsContact O-CA 3.31Å; T630-P634 WeakPolarHBondContact O-CA 3.48Å; T630-P634 WeakPolarHBondContact O-CB 3.34Å; T630-L638 VanDerWaalsContact N-CD1 3.32Å; T630-L638 WeakPolarHBondContact OG1-CD1 3.37Å
631	Q	94.5	Very high	95.5	Very high	141 Å²	141	48.1 Å²	48.1	66%	0.659	25%	0.247	S	C	*	.	H	α-helix	trans	-69.1	-36.1	174.4	-68.6	169.6	-0.2	0	0	112.1	Q627 R628 L629	Q627-Q631 WeakPolarHBondContact O-CG 3.23Å; Q627-Q631 PolarHBondContact O-N 3.21Å; R628-Q631 WeakPolarHBondContact O-CB 3.41Å; R628-Q631 PolarHBondContact O-N 2.89Å; L629-Q631 PolarHBondContact O-N 3.48Å
632	L	93.1	Very high	95.4	Very high	73 Å²	73	51.8 Å²	51.8	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-71.3	-47.9	178	178.6	66.7	0	0	0	112.2	R546 L583 A586 R628 L629	R546-L632 PolarHBondContact NH1-O 3.4Å; R546-L632 PolarHBondContact NH2-O 2.93Å; L583-L632 HydrophobicContact CD2-CD2 3.8Å; L583-L632 WeakPolarHBondContact O-CD2 3.49Å; A586-L632 HydrophobicContact CB-CD2 4.15Å; R628-L632 PolarHBondContact O-N 2.59Å; R628-L632 VanDerWaalsContact O-N 3.14Å; L629-L632 HydrophobicContact CD2-CD2 4.27Å; L629-L632 WeakPolarHBondContact O-CB 3.41Å; L629-L632 PolarHBondContact O-N 3.45Å; L629-L632 VanDerWaalsContact O-N 3.12Å
633	N	94.5	Very high	95.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.			trans	-140.8	94.9	179.2	-163	-9.8	0	0	0	110.2	R546 Y547 A586 L629 T630 D635 I636	R546-N633 VanDerWaalsContact CZ-CG 3.43Å; R546-N633 VanDerWaalsContact CZ-OD1 3.24Å; R546-N633 PolarHBondContact NE-OD1 3.29Å; R546-N633 PolarHBondContact NH1-ND2 3.36Å; R546-N633 PolarHBondContact NH1-OD1 2.88Å; Y547-N633 PolarHBondContact OH-ND2 3.39Å; A586-N633 PolarHBondContact O-ND2 3.44Å; L629-N633 PolarHBondContact O-N 3.25Å; T630-N633 CarbonylContact O-C 3.53Å; N633-D635 PolarHBondContact O-N 3.11Å; N633-D635 PolarHBondContact OD1-N 2.78Å; N633-I636 HydrophobicContact CB-CD1 4.2Å; N633-I636 HydrophobicContact CB-CG1 4.17Å; N633-I636 WeakPolarHBondContact O-CG1 3.29Å
634	P	92.8	Very high	94.8	Very high	68 Å²	68	57.5 Å²	57.5	44%	0.442	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.6	179.9	30.2	-35.6	0	0	0	113.3	T630	T630-P634 VanDerWaalsContact O-CA 3.31Å; T630-P634 WeakPolarHBondContact O-CA 3.48Å; T630-P634 WeakPolarHBondContact O-CB 3.34Å
635	D	90.4	Very high	94.6	Very high	63 Å²	63	57.7 Å²	57.7	34%	0.337	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.5	-172.6	-58.2	-46.6	0	0	0	113	R542 R546 N633	R542-D635 IonicContact CZ-OD1 2.69Å; R542-D635 IonicContact CZ-OD2 3.89Å; R542-D635 IonicContact NE-OD1 3.57Å; R542-D635 PolarHBondContact NE-OD1 2.61Å; R542-D635 IonicContact NE-OD2 3.73Å; R542-D635 PolarHBondContact NE-OD2 2.94Å; R542-D635 IonicContact NH1-OD1 3.17Å; R542-D635 VanDerWaalsContact NH2-CG 3.27Å; R542-D635 IonicContact NH2-OD1 3.56Å; R542-D635 PolarHBondContact NH2-OD1 2.92Å; R542-D635 IonicContact NH2-OD2 3.47Å; R542-D635 PolarHBondContact NH2-OD2 3.21Å; R546-D635 IonicContact NE-OD2 2.69Å; N633-D635 PolarHBondContact O-N 3.11Å; N633-D635 PolarHBondContact OD1-N 2.78Å
636	I	94.3	Very high	94.2	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.077	30%	0.304	C	S	.	.	S	Bend	trans	-94	153.9	174.8	65.1	174.4	0	0	0	111.6	A586 V590 L593 N633 L638	A586-I636 HydrophobicContact CB-CD1 3.47Å; A586-I636 VanDerWaalsContact CB-CD1 3.47Å; V590-I636 VanDerWaalsContact O-CG2 3.29Å; V590-I636 WeakPolarHBondContact O-CG2 3.29Å; L593-I636 HydrophobicContact CD1-CD1 4.13Å; L593-I636 HydrophobicContact CG-CD1 4.46Å; N633-I636 HydrophobicContact CB-CD1 4.2Å; N633-I636 HydrophobicContact CB-CG1 4.17Å; N633-I636 WeakPolarHBondContact O-CG1 3.29Å; I636-L638 HydrophobicContact CD1-CD2 4.03Å; I636-L638 HydrophobicContact CD1-CG 4.27Å; I636-L638 HydrophobicContact CG1-CD1 4.39Å; I636-L638 HydrophobicContact CG1-CD2 4.47Å; I636-L638 HydrophobicContact CG1-CG 4.18Å
637	Q	96.7	Very high	93.8	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.2	174.1	-173.6	173.1	-12	0	0	110.6	G591 T592 L593	G591-Q637 PolarHBondContact O-N 3.43Å; T592-Q637 CarbonylContact C-O 3.59Å; T592-Q637 VanDerWaalsContact CA-O 3.28Å; T592-Q637 WeakPolarHBondContact CA-O 3.44Å; T592-Q637 HydrophobicContact CG2-CB 4.25Å; T592-Q637 HydrophobicContact CG2-CG 4.27Å; L593-Q637 PolarHBondContact N-O 3.4Å
638	L	97.2	Very high	93.5	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.9	178.7	-68	159.9	0	0	0	109.2	L593 L595 H626 L629 T630 I636	L593-L638 HydrophobicContact CB-CD2 3.84Å; L593-L638 HydrophobicContact CD1-CD2 4.16Å; L593-L638 HydrophobicContact CG-CD2 4.38Å; L595-L638 HydrophobicContact CD1-CD2 4.02Å; H626-L638 PolarHBondContact CD2-O 2.86Å; H626-L638 PolarHBondContact NE2-O 3.04Å; L629-L638 HydrophobicContact CB-CD1 3.67Å; L629-L638 HydrophobicContact CB-CD2 3.97Å; L629-L638 HydrophobicContact CD1-CD2 4.13Å; T630-L638 VanDerWaalsContact N-CD1 3.32Å; T630-L638 WeakPolarHBondContact OG1-CD1 3.37Å; I636-L638 HydrophobicContact CD1-CD2 4.03Å; I636-L638 HydrophobicContact CD1-CG 4.27Å; I636-L638 HydrophobicContact CG1-CD1 4.39Å; I636-L638 HydrophobicContact CG1-CD2 4.47Å; I636-L638 HydrophobicContact CG1-CG 4.18Å
639	T	96.7	Very high	93.3	Very high	50 Å²	50	59.1 Å²	59.1	31%	0.307	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.4	174.8	-59.1	0	0	0	0	109.3	L593 V594 L595 L641	L593-T639 PolarHBondContact O-N 3.04Å; V594-T639 CarbonylContact C-O 3.47Å; V594-T639 WeakPolarHBondContact CA-O 3.5Å; L595-T639 PolarHBondContact N-O 3.24Å; T639-L641 HydrophobicContact CG2-CD2 4.09Å; T639-L641 HydrophobicContact CG2-CG 4.44Å
640	A	96.5	Very high	93.2	Very high	35 Å²	35	59.3 Å²	59.3	29%	0.289	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.8	176.1	0	0	0	0	0	111	S622 H626	S622-A640 WeakPolarHBondContact O-CB 3.14Å; H626-A640 HydrophobicContact CB-CB 4.01Å
641	L	95.4	Very high	93	Very high	43 Å²	43	59.1 Å²	59.1	23%	0.225	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	99.3	173.6	-59	-178.8	0	0	0	109	V594 L595 A596 D597 T639 Q643 L645	V594-L641 HydrophobicContact CG1-CD1 3.54Å; V594-L641 HydrophobicContact CG1-CG 3.98Å; L595-L641 PolarHBondContact O-N 2.92Å; A596-L641 WeakPolarHBondContact CA-O 3.34Å; A596-L641 HydrophobicContact CB-CB 4.15Å; D597-L641 PolarHBondContact N-O 3.47Å; D597-L641 VanDerWaalsContact N-O 3.1Å; T639-L641 HydrophobicContact CG2-CD2 4.09Å; T639-L641 HydrophobicContact CG2-CG 4.44Å; L641-Q643 HydrophobicContact CB-CG 4.36Å; L641-Q643 PolarHBondContact O-N 3.42Å; L641-L645 HydrophobicContact CD1-CD1 4.43Å; L641-L645 HydrophobicContact CD1-CD2 4.16Å
642	H	94.1	Very high	93	Very high	82 Å²	82	56.7 Å²	56.7	38%	0.38	30%	0.304	S	S	.	.			trans	-84.3	66.7	174.2	-170.8	51.4	0	0	0	111.2	D597 D598 D600 S622	D597-H642 WeakPolarHBondContact O-CA 3.36Å; D597-H642 PolarHBondContact O-ND1 2.98Å; D597-H642 VanDerWaalsContact O-ND1 3.15Å; D598-H642 PolarHBondContact O-CE1 2.76Å; D598-H642 VanDerWaalsContact O-CE1 3.29Å; D600-H642 IonicContact OD1-CE1 3.91Å; S622-H642 WeakPolarHBondContact OG-CA 3.45Å; S622-H642 WeakPolarHBondContact OG-CB 3.34Å
643	Q	91.5	Very high	93	Very high	93 Å²	93	53.9 Å²	53.9	44%	0.435	29%	0.291	S	S	.	.	S	Bend	trans	-158.4	154.7	178.6	64	-179.8	5.8	0	0	110.2	L641 L645	L641-Q643 HydrophobicContact CB-CG 4.36Å; L641-Q643 PolarHBondContact O-N 3.42Å; Q643-L645 HydrophobicContact CG-CD2 4.17Å; Q643-L645 PolarHBondContact O-N 3.37Å
644	R	90	Very high	93.1	Very high	125 Å²	125	53.9 Å²	53.9	47%	0.472	29%	0.291	S	S	.	.			trans	-78.4	114	171.9	-168.9	175.2	-72.3	-149.1	-10.5	108.7	D598 T646	D598-R644 HydrophobicContact CB-CB 4.08Å; D598-R644 IonicContact OD1-NE 2.73Å; D598-R644 IonicContact OD1-NH2 3.93Å; D598-R644 IonicContact OD2-CZ 3.3Å; D598-R644 VanDerWaalsContact OD2-CZ 3.29Å; D598-R644 IonicContact OD2-NE 2.89Å; D598-R644 PolarHBondContact OD2-NE 2.79Å; D598-R644 IonicContact OD2-NH2 3.7Å; D598-R644 PolarHBondContact OD2-NH2 3.35Å; R644-T646 HydrophobicContact CG-CG2 4.04Å; R644-T646 PolarHBondContact O-N 3.15Å; R644-T646 VanDerWaalsContact O-N 3.17Å
645	L	90.2	Very high	93.2	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	30%	0.295	C	S	.	.			trans	-72.3	108.6	176.5	-65.7	-179.4	0	0	0	110	L570 I572 A596 L641 Q643 A649 L650 A653	L570-L645 HydrophobicContact CD1-CD1 4.06Å; L570-L645 HydrophobicContact CD2-CD1 4.46Å; I572-L645 HydrophobicContact CD1-CD1 4.43Å; I572-L645 HydrophobicContact CG1-CD1 4.36Å; A596-L645 HydrophobicContact CB-CD1 3.46Å; A596-L645 VanDerWaalsContact CB-CD1 3.46Å; A596-L645 HydrophobicContact CB-CG 3.92Å; L641-L645 HydrophobicContact CD1-CD1 4.43Å; L641-L645 HydrophobicContact CD1-CD2 4.16Å; Q643-L645 HydrophobicContact CG-CD2 4.17Å; Q643-L645 PolarHBondContact O-N 3.37Å; L645-A649 HydrophobicContact CD2-CB 4.35Å; L645-L650 HydrophobicContact CB-CB 4.13Å; L645-L650 HydrophobicContact CB-CD1 3.94Å; L645-A653 HydrophobicContact CD1-CB 3.97Å
646	T	89	Confident	93.4	Very high	62 Å²	62	56.7 Å²	56.7	38%	0.38	31%	0.307	S	S	.	.			trans	-137.6	163.4	173.9	56.5	0	0	0	0	109.4	R644 E648 A649 L650 E672	R644-T646 HydrophobicContact CG-CG2 4.04Å; R644-T646 PolarHBondContact O-N 3.15Å; R644-T646 VanDerWaalsContact O-N 3.17Å; T646-E648 PolarHBondContact O-N 3.45Å; T646-A649 PolarHBondContact O-N 3.24Å; T646-L650 PolarHBondContact O-N 3.35Å; T646-E672 WeakPolarHBondContact CB-OE2 3.45Å
647	G	88.5	Confident	93.6	Very high	37 Å²	37	56.4 Å²	56.4	38%	0.381	31%	0.307	S	S	.	.	H	α-helix	trans	57.3	-134	174	0	0	0	0	0	114.1	L650 K651	G647-L650 PolarHBondContact O-N 3.37Å; G647-K651 PolarHBondContact O-N 2.69Å
648	E	89.9	Confident	93.6	Very high	115 Å²	115	54.3 Å²	54.3	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-66.2	-36.3	-179.1	-71.1	-58.5	128	0	0	112.9	T646 L650 K651 D652	T646-E648 PolarHBondContact O-N 3.45Å; E648-L650 VanDerWaalsContact C-N 3.26Å; E648-L650 PolarHBondContact O-N 2.82Å; E648-K651 PolarHBondContact O-N 3.49Å; E648-K651 VanDerWaalsContact O-N 3.07Å; E648-K651 IonicContact OE1-NZ 3.21Å; E648-K651 PolarHBondContact OE1-NZ 3.03Å; E648-D652 PolarHBondContact O-N 3.18Å
649	A	91.1	Very high	93.6	Very high	41 Å²	41	53.6 Å²	53.6	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-35.4	178.3	0	0	0	0	0	112.4	L645 T646 A653	L645-A649 HydrophobicContact CD2-CB 4.35Å; T646-A649 PolarHBondContact O-N 3.24Å; A649-A653 WeakPolarHBondContact O-CB 3.23Å; A649-A653 PolarHBondContact O-N 3.49Å
650	L	94.2	Very high	93.7	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-44.8	172.9	177.1	61.2	0	0	0	111.4	I572 L645 T646 G647 E648 D652 A653 V654 E672 I673 A676	I572-L650 HydrophobicContact CD1-CD1 3.63Å; L645-L650 HydrophobicContact CB-CB 4.13Å; L645-L650 HydrophobicContact CB-CD1 3.94Å; T646-L650 PolarHBondContact O-N 3.35Å; G647-L650 PolarHBondContact O-N 3.37Å; E648-L650 VanDerWaalsContact C-N 3.26Å; E648-L650 PolarHBondContact O-N 2.82Å; L650-D652 PolarHBondContact O-N 3.33Å; L650-A653 PolarHBondContact O-N 2.88Å; L650-V654 HydrophobicContact CD1-CG2 3.97Å; L650-V654 HydrophobicContact CG-CG2 4.37Å; L650-V654 WeakPolarHBondContact O-CB 3.21Å; L650-V654 VanDerWaalsContact O-CG2 3.24Å; L650-V654 WeakPolarHBondContact O-CG2 3.37Å; L650-V654 PolarHBondContact O-N 3.5Å; L650-E672 HydrophobicContact CD2-CB 3.88Å; L650-I673 HydrophobicContact CD1-CG1 4.23Å; L650-I673 HydrophobicContact CD2-CG1 4.4Å; L650-A676 HydrophobicContact CD2-CB 4.17Å; L650-A676 HydrophobicContact CG-CB 4.04Å
651	K	92.7	Very high	93.8	Very high	51 Å²	51	49.6 Å²	49.6	22%	0.222	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-44.1	178.6	-68.2	180	-169.4	165.2	0	111.9	G647 E648 A653 V654 A655 L680	G647-K651 PolarHBondContact O-N 2.69Å; E648-K651 PolarHBondContact O-N 3.49Å; E648-K651 VanDerWaalsContact O-N 3.07Å; E648-K651 IonicContact OE1-NZ 3.21Å; E648-K651 PolarHBondContact OE1-NZ 3.03Å; K651-A653 VanDerWaalsContact C-N 3.32Å; K651-A653 PolarHBondContact O-N 3.41Å; K651-V654 PolarHBondContact O-N 2.97Å; K651-A655 VanDerWaalsContact O-CB 3.29Å; K651-A655 WeakPolarHBondContact O-CB 3.24Å; K651-A655 PolarHBondContact O-N 2.8Å; K651-L680 HydrophobicContact CB-CD1 4.46Å; K651-L680 WeakPolarHBondContact O-CD1 3.44Å
652	D	93.6	Very high	93.8	Very high	91 Å²	91	47.6 Å²	47.6	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-40.9	178.7	-71.9	-20.8	0	0	0	111.5	E648 L650 Q656	E648-D652 PolarHBondContact O-N 3.18Å; L650-D652 PolarHBondContact O-N 3.33Å; D652-Q656 WeakPolarHBondContact O-CG 3.43Å
653	A	94.4	Very high	93.9	Very high	13 Å²	13	44 Å²	44	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-42.3	176.6	0	0	0	0	0	112.2	L570 L645 A649 L650 K651 Q656	L570-A653 HydrophobicContact CD1-CB 4.26Å; L570-A653 HydrophobicContact CD2-CB 3.69Å; L645-A653 HydrophobicContact CD1-CB 3.97Å; A649-A653 WeakPolarHBondContact O-CB 3.23Å; A649-A653 PolarHBondContact O-N 3.49Å; L650-A653 PolarHBondContact O-N 2.88Å; K651-A653 VanDerWaalsContact C-N 3.32Å; K651-A653 PolarHBondContact O-N 3.41Å; A653-Q656 PolarHBondContact O-N 3.25Å
654	V	96.2	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-36.1	177.9	172.5	0	0	0	0	111.5	L570 L650 K651 Q656 A657 V660 A676 L680 T682	L570-V654 HydrophobicContact CD2-CG2 4Å; L650-V654 HydrophobicContact CD1-CG2 3.97Å; L650-V654 HydrophobicContact CG-CG2 4.37Å; L650-V654 WeakPolarHBondContact O-CB 3.21Å; L650-V654 VanDerWaalsContact O-CG2 3.24Å; L650-V654 WeakPolarHBondContact O-CG2 3.37Å; L650-V654 PolarHBondContact O-N 3.5Å; K651-V654 PolarHBondContact O-N 2.97Å; V654-Q656 PolarHBondContact O-N 2.97Å; V654-A657 PolarHBondContact O-N 3.16Å; V654-V660 HydrophobicContact CB-CG2 4.45Å; V654-V660 HydrophobicContact CG1-CG2 4.11Å; V654-V660 HydrophobicContact CG2-CG2 4.06Å; V654-A676 HydrophobicContact CB-CB 4.4Å; V654-A676 HydrophobicContact CG1-CB 4.48Å; V654-A676 HydrophobicContact CG2-CB 4.01Å; V654-L680 HydrophobicContact CB-CD1 3.88Å; V654-L680 HydrophobicContact CG1-CB 4.29Å; V654-L680 HydrophobicContact CG1-CD1 3.7Å; V654-T682 HydrophobicContact CG1-CG2 4.37Å; V654-T682 PolarHBondContact O-OG1 3.16Å
655	A	95.2	Very high	93.7	Very high	63 Å²	63	39.2 Å²	39.2	52%	0.521	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-21	-180	0	0	0	0	0	113.7	K651 L680	K651-A655 VanDerWaalsContact O-CB 3.29Å; K651-A655 WeakPolarHBondContact O-CB 3.24Å; K651-A655 PolarHBondContact O-N 2.8Å; A655-L680 HydrophobicContact CB-CD1 3.95Å; A655-L680 HydrophobicContact CB-CD2 4.36Å
656	Q	95	Very high	93.4	Very high	128 Å²	128	40.8 Å²	40.8	60%	0.598	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-6.8	178.4	-62.7	176.4	26.8	0	0	113.1	Q568 D652 A653 V654	Q568-Q656 VanDerWaalsContact CD-O 3.24Å; Q568-Q656 PolarHBondContact NE2-O 3.48Å; D652-Q656 WeakPolarHBondContact O-CG 3.43Å; A653-Q656 PolarHBondContact O-N 3.25Å; V654-Q656 PolarHBondContact O-N 2.97Å
657	A	97	Very high	93.3	Very high	8 Å²	8	38.6 Å²	38.6	7%	0.066	22%	0.223	C	C	.	.			trans	-96.2	138.8	-176.9	0	0	0	0	0	111.1	L570 V654 V660 T682	L570-A657 HydrophobicContact CB-CB 3.68Å; V654-A657 PolarHBondContact O-N 3.16Å; A657-V660 HydrophobicContact CB-CG2 4.15Å; A657-T682 WeakPolarHBondContact O-CG2 3.44Å
658	D	97.5	Very high	93.2	Very high	80 Å²	80	39 Å²	39	43%	0.428	22%	0.222	S	C	.	.	S	Bend	trans	-78.3	-29.7	171.9	-61.6	-65.2	0	0	0	111.6	S567 Q568 P683 L747	S567-D658 WeakPolarHBondContact CA-OD2 3.48Å; Q568-D658 PolarHBondContact N-OD2 3.01Å; Q568-D658 PolarHBondContact O-N 3.05Å; D658-P683 WeakPolarHBondContact O-CD 3.46Å; D658-L747 HydrophobicContact CB-CD2 3.76Å
659	V	97.6	Very high	93.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.1	171.2	61.8	0	0	0	0	110.3	V569 L570 P683 I685 A743 L746 L747	V569-V659 HydrophobicContact CB-CG1 4.41Å; V569-V659 HydrophobicContact CG1-CG1 4.14Å; V569-V659 HydrophobicContact CG2-CG1 3.68Å; L570-V659 PolarHBondContact N-O 3.49Å; V659-P683 HydrophobicContact CB-CB 4.41Å; V659-P683 HydrophobicContact CG2-CB 4.09Å; V659-I685 HydrophobicContact CG2-CD1 3.94Å; V659-I685 HydrophobicContact CG2-CG1 4.08Å; V659-A743 HydrophobicContact CG1-CB 4.29Å; V659-L746 HydrophobicContact CG2-CD1 4.35Å; V659-L747 HydrophobicContact CG1-CD1 3.94Å; V659-L747 HydrophobicContact CG1-CD2 4.01Å; V659-L747 HydrophobicContact CG1-CG 4.09Å
660	V	98.1	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.2	177.2	-177.8	0	0	0	0	109.9	L570 I572 V654 A657 I673 T682 P683 L684 I685	L570-V660 HydrophobicContact CB-CG2 4.39Å; L570-V660 HydrophobicContact CD2-CG1 4.39Å; L570-V660 HydrophobicContact CD2-CG2 4.33Å; I572-V660 HydrophobicContact CD1-CG1 3.96Å; I572-V660 HydrophobicContact CG1-CG1 4.44Å; V654-V660 HydrophobicContact CB-CG2 4.45Å; V654-V660 HydrophobicContact CG1-CG2 4.11Å; V654-V660 HydrophobicContact CG2-CG2 4.06Å; A657-V660 HydrophobicContact CB-CG2 4.15Å; V660-I673 HydrophobicContact CG1-CG2 3.83Å; V660-T682 HydrophobicContact CG2-CG2 3.88Å; V660-P683 PolarHBondContact N-O 2.94Å; V660-L684 HydrophobicContact CB-CD1 4.26Å; V660-L684 HydrophobicContact CG1-CD1 4.21Å; V660-I685 PolarHBondContact O-N 3.49Å
661	L	98.2	Very high	93	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.4	173.5	-69.2	156.9	0	0	0	109.2	V569 L570 I571 I572 L585 C663 I685 Q739 A743	V569-L661 HydrophobicContact CG1-CD1 3.44Å; V569-L661 VanDerWaalsContact CG1-CD1 3.44Å; V569-L661 HydrophobicContact CG1-CG 4.19Å; L570-L661 PolarHBondContact O-N 3.21Å; I571-L661 HydrophobicContact CD1-CD1 4.47Å; I571-L661 HydrophobicContact CG1-CB 4.48Å; I571-L661 HydrophobicContact CG1-CD1 3.97Å; I572-L661 PolarHBondContact N-O 3.01Å; I572-L661 VanDerWaalsContact N-O 3.08Å; L585-L661 HydrophobicContact CD1-CD1 3.37Å; L661-C663 PolarHBondContact O-N 2.91Å; L661-I685 WeakPolarHBondContact CA-O 3.41Å; L661-I685 HydrophobicContact CD2-CB 3.74Å; L661-I685 HydrophobicContact CD2-CD1 4.09Å; L661-I685 HydrophobicContact CD2-CG1 4.49Å; L661-I685 HydrophobicContact CD2-CG2 4.04Å; L661-Q739 HydrophobicContact CD2-CB 3.75Å; L661-Q739 HydrophobicContact CD2-CG 4.35Å; L661-A743 HydrophobicContact CD1-CB 4.49Å; L661-A743 HydrophobicContact CD2-CB 4.38Å
662	D	96.8	Very high	93	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	102.6	171.5	167	31.5	0	0	0	109.4	T664 R670 I673 L684 I685 T686 Q739	D662-T664 WeakPolarHBondContact OD1-CB 3.26Å; D662-T664 PolarHBondContact OD1-N 3.05Å; D662-T664 VanDerWaalsContact OD1-N 3.14Å; D662-T664 PolarHBondContact OD1-OG1 3.33Å; D662-R670 IonicContact OD1-NH1 2.76Å; D662-R670 VanDerWaalsContact OD2-CG 3.28Å; D662-R670 WeakPolarHBondContact OD2-CG 3.41Å; D662-R670 IonicContact OD2-CZ 2.98Å; D662-R670 IonicContact OD2-NE 3.46Å; D662-R670 IonicContact OD2-NH1 3.78Å; D662-R670 PolarHBondContact OD2-NH1 3.43Å; D662-I673 HydrophobicContact CB-CD1 4.29Å; D662-I673 HydrophobicContact CB-CG2 4.38Å; D662-L684 HydrophobicContact CB-CD1 3.88Å; D662-I685 PolarHBondContact N-O 2.91Å; D662-T686 PolarHBondContact OD2-OG1 2.76Å; D662-Q739 PolarHBondContact O-NE2 2.74Å
663	C	95.5	Very high	93	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.047	16%	0.163	C	C	.	.			trans	-112.9	17.6	177.3	-61.6	0	0	0	0	111.5	I572 G573 L577 L661 Q739	I572-C663 CarbonylContact O-C 3.41Å; I572-C663 WeakPolarHBondContact O-CA 3.39Å; I572-C663 WeakPolarHBondContact O-CB 3.16Å; I572-C663 PolarHBondContact O-N 3.33Å; G573-C663 WeakPolarHBondContact O-CB 3.45Å; L577-C663 HydrophobicContact CB-CB 4.03Å; L661-C663 PolarHBondContact O-N 2.91Å; C663-Q739 PolarHBondContact SG-OE1 2.62Å
664	T	91.9	Very high	92.9	Very high	12 Å²	12	27.5 Å²	27.5	7%	0.074	16%	0.158	C	C	.	.			trans	-77.5	160.8	-176.9	67.7	0	0	0	0	111.6	I572 D662 T669 R670 I673	I572-T664 HydrophobicContact CB-CG2 4.21Å; I572-T664 HydrophobicContact CG2-CG2 3.73Å; I572-T664 WeakPolarHBondContact O-CG2 3.32Å; I572-T664 PolarHBondContact O-N 2.98Å; D662-T664 WeakPolarHBondContact OD1-CB 3.26Å; D662-T664 PolarHBondContact OD1-N 3.05Å; D662-T664 VanDerWaalsContact OD1-N 3.14Å; D662-T664 PolarHBondContact OD1-OG1 3.33Å; T664-T669 HydrophobicContact CG2-CG2 3.82Å; T664-R670 PolarHBondContact O-NE 3.42Å; T664-R670 PolarHBondContact O-NH2 3.36Å; T664-R670 VanDerWaalsContact OG1-CG 3.25Å; T664-R670 WeakPolarHBondContact OG1-CG 3.43Å; T664-I673 HydrophobicContact CG2-CD1 3.73Å
665	D	84.6	Confident	92.7	Very high	105 Å²	105	28 Å²	28	56%	0.561	16%	0.161	S	C	*	.	S	Bend	trans	-109.4	2.7	-176.7	68.4	-13.5	0	0	0	114
666	N	83.9	Confident	92.7	Very high	37 Å²	37	25 Å²	25	20%	0.198	14%	0.137	C	C	.	.			trans	-125.6	136.8	-176.9	74.3	89.6	0	0	0	113.4	A668 T669 R670 E717	N666-A668 VanDerWaalsContact C-N 3.35Å; N666-A668 PolarHBondContact O-N 3.03Å; N666-T669 PolarHBondContact ND2-OG1 3.22Å; N666-T669 PolarHBondContact O-N 3.32Å; N666-T669 VanDerWaalsContact OD1-CB 3.29Å; N666-T669 WeakPolarHBondContact OD1-CB 3.12Å; N666-T669 PolarHBondContact OD1-N 3.42Å; N666-T669 PolarHBondContact OD1-OG1 2.94Å; N666-R670 WeakPolarHBondContact O-CG 3.44Å; N666-R670 PolarHBondContact O-N 3.39Å; N666-E717 WeakPolarHBondContact CA-OE1 3.45Å
667	M	86.8	Confident	92.7	Very high	16 Å²	16	18.9 Å²	18.9	8%	0.079	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-39.1	-174.6	-174.2	57.2	67.7	0	0	113.6	T669 R670 Q671 Y708 W712 D714 E717	M667-T669 PolarHBondContact O-N 3.47Å; M667-R670 WeakPolarHBondContact O-CB 3.49Å; M667-R670 PolarHBondContact O-N 2.93Å; M667-Q671 HydrophobicContact CG-CG 4.37Å; M667-Q671 VanDerWaalsContact O-CG 3.26Å; M667-Q671 WeakPolarHBondContact O-CG 3.45Å; M667-Q671 PolarHBondContact O-N 3.31Å; M667-Q671 HydrophobicContact SD-CG 4.2Å; M667-Y708 HydrophobicContact CE-CE1 4.3Å; M667-Y708 HydrophobicContact SD-CE1 3.7Å; M667-W712 HydrophobicContact CE-CB 4.39Å; M667-W712 HydrophobicContact CE-CG 4.43Å; M667-W712 HydrophobicContact SD-CB 4.49Å; M667-D714 WeakPolarHBondContact CG-O 3.4Å; M667-E717 PolarHBondContact N-OE1 3.36Å
668	A	86.9	Confident	92.5	Very high	45 Å²	45	19.5 Å²	19.5	37%	0.372	11%	0.111	S	C	.	.	H	α-helix	trans	-60.2	-47	-179	0	0	0	0	0	111.9	N666 R670 Q671 E672	N666-A668 VanDerWaalsContact C-N 3.35Å; N666-A668 PolarHBondContact O-N 3.03Å; A668-R670 PolarHBondContact O-N 3.23Å; A668-Q671 PolarHBondContact O-N 3.37Å; A668-E672 PolarHBondContact O-N 2.88Å; A668-E672 VanDerWaalsContact O-N 3.1Å
669	T	88.8	Confident	92.1	Very high	10 Å²	10	18.8 Å²	18.8	6%	0.061	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-40.8	178.2	-51.5	0	0	0	0	110.8	T664 N666 M667 Q671 E672 I673	T664-T669 HydrophobicContact CG2-CG2 3.82Å; N666-T669 PolarHBondContact ND2-OG1 3.22Å; N666-T669 PolarHBondContact O-N 3.32Å; N666-T669 VanDerWaalsContact OD1-CB 3.29Å; N666-T669 WeakPolarHBondContact OD1-CB 3.12Å; N666-T669 PolarHBondContact OD1-N 3.42Å; N666-T669 PolarHBondContact OD1-OG1 2.94Å; M667-T669 PolarHBondContact O-N 3.47Å; T669-Q671 VanDerWaalsContact C-N 3.27Å; T669-Q671 PolarHBondContact O-N 3.47Å; T669-E672 PolarHBondContact O-N 3.46Å; T669-I673 HydrophobicContact CG2-CD1 3.96Å; T669-I673 HydrophobicContact CG2-CG1 4.34Å; T669-I673 VanDerWaalsContact O-CG1 3.27Å; T669-I673 WeakPolarHBondContact O-CG1 3.47Å; T669-I673 PolarHBondContact O-N 3.5Å
670	R	91.6	Very high	91.9	Very high	13 Å²	13	22.2 Å²	22.2	5%	0.049	13%	0.134	C	C	.	.	H	α-helix	trans	-56.9	-40.8	175	-64.5	-175.6	173.4	-101.8	4.1	112.5	D662 T664 N666 M667 A668 N674 T686 A687 S688 Y708	D662-R670 IonicContact OD1-NH1 2.76Å; D662-R670 VanDerWaalsContact OD2-CG 3.28Å; D662-R670 WeakPolarHBondContact OD2-CG 3.41Å; D662-R670 IonicContact OD2-CZ 2.98Å; D662-R670 IonicContact OD2-NE 3.46Å; D662-R670 IonicContact OD2-NH1 3.78Å; D662-R670 PolarHBondContact OD2-NH1 3.43Å; T664-R670 PolarHBondContact O-NE 3.42Å; T664-R670 PolarHBondContact O-NH2 3.36Å; T664-R670 VanDerWaalsContact OG1-CG 3.25Å; T664-R670 WeakPolarHBondContact OG1-CG 3.43Å; N666-R670 WeakPolarHBondContact O-CG 3.44Å; N666-R670 PolarHBondContact O-N 3.39Å; M667-R670 WeakPolarHBondContact O-CB 3.49Å; M667-R670 PolarHBondContact O-N 2.93Å; A668-R670 PolarHBondContact O-N 3.23Å; R670-N674 VanDerWaalsContact O-CB 3.27Å; R670-N674 WeakPolarHBondContact O-CB 3.49Å; R670-N674 PolarHBondContact O-N 3.12Å; R670-T686 PolarHBondContact NH1-OG1 2.92Å; R670-A687 PolarHBondContact NH1-O 2.98Å; R670-A687 PolarHBondContact NH2-O 2.76Å; R670-S688 VanDerWaalsContact NH2-CB 3.28Å; R670-Y708 HydrophobicContact CB-CE1 4.16Å
671	Q	90.7	Very high	91.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-71.1	-35.3	179.4	-66.9	-72.7	-2.5	0	0	112.8	M667 A668 T669 A675 W712 N715	M667-Q671 HydrophobicContact CG-CG 4.37Å; M667-Q671 VanDerWaalsContact O-CG 3.26Å; M667-Q671 WeakPolarHBondContact O-CG 3.45Å; M667-Q671 PolarHBondContact O-N 3.31Å; M667-Q671 HydrophobicContact SD-CG 4.2Å; A668-Q671 PolarHBondContact O-N 3.37Å; T669-Q671 VanDerWaalsContact C-N 3.27Å; T669-Q671 PolarHBondContact O-N 3.47Å; Q671-A675 WeakPolarHBondContact O-CB 3.29Å; Q671-A675 PolarHBondContact O-N 2.9Å; Q671-W712 PolarHBondContact NE2-O 2.85Å; Q671-N715 WeakPolarHBondContact CG-OD1 3.41Å
672	E	92.1	Very high	91.6	Very high	48 Å²	48	27.4 Å²	27.4	22%	0.224	16%	0.162	C	C	.	.	H	α-helix	trans	-66.6	-45.5	172	-73.4	-173.5	-144.3	0	0	111.6	T646 L650 A668 T669 A675 A676	T646-E672 WeakPolarHBondContact CB-OE2 3.45Å; L650-E672 HydrophobicContact CD2-CB 3.88Å; A668-E672 PolarHBondContact O-N 2.88Å; A668-E672 VanDerWaalsContact O-N 3.1Å; T669-E672 PolarHBondContact O-N 3.46Å; E672-A675 WeakPolarHBondContact O-CB 3.47Å; E672-A675 PolarHBondContact O-N 3.45Å; E672-A676 PolarHBondContact O-N 2.7Å
673	I	94	Very high	91.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-49.3	175.3	-64.1	166.7	0	0	0	110.2	I572 L650 V660 D662 T664 T669 A675 A676 C677 L684	I572-I673 HydrophobicContact CB-CD1 3.96Å; I572-I673 HydrophobicContact CD1-CD1 3.72Å; I572-I673 HydrophobicContact CD1-CG1 3.67Å; I572-I673 HydrophobicContact CD1-CG2 4.23Å; I572-I673 HydrophobicContact CG1-CD1 4.41Å; I572-I673 HydrophobicContact CG2-CD1 3.9Å; L650-I673 HydrophobicContact CD1-CG1 4.23Å; L650-I673 HydrophobicContact CD2-CG1 4.4Å; V660-I673 HydrophobicContact CG1-CG2 3.83Å; D662-I673 HydrophobicContact CB-CD1 4.29Å; D662-I673 HydrophobicContact CB-CG2 4.38Å; T664-I673 HydrophobicContact CG2-CD1 3.73Å; T669-I673 HydrophobicContact CG2-CD1 3.96Å; T669-I673 HydrophobicContact CG2-CG1 4.34Å; T669-I673 VanDerWaalsContact O-CG1 3.27Å; T669-I673 WeakPolarHBondContact O-CG1 3.47Å; T669-I673 PolarHBondContact O-N 3.5Å; I673-A675 VanDerWaalsContact C-N 3.33Å; I673-A675 PolarHBondContact O-N 3.48Å; I673-A676 PolarHBondContact O-N 3.18Å; I673-C677 WeakPolarHBondContact O-CB 3.22Å; I673-C677 PolarHBondContact O-N 3.07Å; I673-C677 PolarHBondContact O-SG 2.69Å; I673-L684 HydrophobicContact CG2-CD1 3.82Å
674	N	93.5	Very high	91.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.3	-42.3	176.9	175.1	72.4	0	0	0	112	R670 V678 L684 C707 Y708	R670-N674 VanDerWaalsContact O-CB 3.27Å; R670-N674 WeakPolarHBondContact O-CB 3.49Å; R670-N674 PolarHBondContact O-N 3.12Å; N674-V678 WeakPolarHBondContact O-CB 3.5Å; N674-V678 WeakPolarHBondContact O-CG2 3.28Å; N674-V678 PolarHBondContact O-N 3.11Å; N674-L684 HydrophobicContact CB-CD2 4.06Å; N674-C707 WeakPolarHBondContact OD1-CB 3.39Å; N674-Y708 WeakPolarHBondContact OD1-CB 3.05Å; N674-Y708 PolarHBondContact OD1-N 3.17Å
675	A	92.1	Very high	91.8	Very high	9 Å²	9	28 Å²	28	7%	0.074	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-46	174.7	0	0	0	0	0	112.6	Q671 E672 I673 A679 V786	Q671-A675 WeakPolarHBondContact O-CB 3.29Å; Q671-A675 PolarHBondContact O-N 2.9Å; E672-A675 WeakPolarHBondContact O-CB 3.47Å; E672-A675 PolarHBondContact O-N 3.45Å; I673-A675 VanDerWaalsContact C-N 3.33Å; I673-A675 PolarHBondContact O-N 3.48Å; A675-A679 VanDerWaalsContact O-CB 3.3Å; A675-A679 WeakPolarHBondContact O-CB 3.47Å; A675-A679 PolarHBondContact O-N 3.01Å; A675-V786 HydrophobicContact CB-CG2 4.14Å
676	A	94.4	Very high	92.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-44.9	179.2	0	0	0	0	0	111.9	L650 V654 E672 I673 A679 L680	L650-A676 HydrophobicContact CD2-CB 4.17Å; L650-A676 HydrophobicContact CG-CB 4.04Å; V654-A676 HydrophobicContact CB-CB 4.4Å; V654-A676 HydrophobicContact CG1-CB 4.48Å; V654-A676 HydrophobicContact CG2-CB 4.01Å; E672-A676 PolarHBondContact O-N 2.7Å; I673-A676 PolarHBondContact O-N 3.18Å; A676-A679 PolarHBondContact O-N 3.17Å; A676-L680 WeakPolarHBondContact O-CB 3.48Å; A676-L680 PolarHBondContact O-N 3.4Å
677	C	94.9	Very high	92.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-43.6	178.3	-64.9	0	0	0	0	112	I673 L680 N681 T682 L684 W703	I673-C677 WeakPolarHBondContact O-CB 3.22Å; I673-C677 PolarHBondContact O-N 3.07Å; I673-C677 PolarHBondContact O-SG 2.69Å; C677-L680 PolarHBondContact O-N 2.94Å; C677-N681 WeakPolarHBondContact O-CA 3.41Å; C677-N681 PolarHBondContact O-N 3.49Å; C677-T682 WeakPolarHBondContact CB-O 3.45Å; C677-T682 PolarHBondContact O-N 3.05Å; C677-L684 HydrophobicContact CB-CB 4.13Å; C677-W703 HydrophobicContact CB-CH2 4.07Å; C677-W703 HydrophobicContact CB-CZ2 4.43Å; C677-W703 WeakPolarHBondContact O-CZ2 3.32Å
678	V	91.8	Very high	93.1	Very high	21 Å²	21	21.8 Å²	21.8	13%	0.127	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-41.6	176.4	175.1	0	0	0	0	111.3	N674 L680 N681 W703 C707 C780	N674-V678 WeakPolarHBondContact O-CB 3.5Å; N674-V678 WeakPolarHBondContact O-CG2 3.28Å; N674-V678 PolarHBondContact O-N 3.11Å; V678-L680 VanDerWaalsContact C-N 3.31Å; V678-L680 PolarHBondContact O-N 3.19Å; V678-N681 PolarHBondContact O-N 3.27Å; V678-W703 HydrophobicContact CB-CZ2 4.45Å; V678-W703 HydrophobicContact CG2-CD2 3.89Å; V678-W703 HydrophobicContact CG2-CE3 3.93Å; V678-W703 HydrophobicContact CG2-CH2 4.07Å; V678-W703 HydrophobicContact CG2-CZ2 4.02Å; V678-W703 HydrophobicContact CG2-CZ3 3.99Å; V678-C707 HydrophobicContact CG2-CB 3.62Å; V678-C780 HydrophobicContact CB-CB 4.4Å; V678-C780 HydrophobicContact CG1-CB 3.91Å; V678-C780 HydrophobicContact CG2-CB 4.47Å
679	A	90.8	Very high	93.3	Very high	64 Å²	64	19.8 Å²	19.8	53%	0.529	12%	0.119	S	C	.	.	H	α-helix	trans	-65.7	-32.2	180	0	0	0	0	0	113.2	A675 A676	A675-A679 VanDerWaalsContact O-CB 3.3Å; A675-A679 WeakPolarHBondContact O-CB 3.47Å; A675-A679 PolarHBondContact O-N 3.01Å; A676-A679 PolarHBondContact O-N 3.17Å
680	L	93.5	Very high	93.3	Very high	74 Å²	74	21.8 Å²	21.8	39%	0.387	13%	0.131	S	C	.	.	H	α-helix	trans	-101.5	-0.7	-177.4	-66.2	166.5	0	0	0	113.6	K651 V654 A655 A676 C677 V678 T682	K651-L680 HydrophobicContact CB-CD1 4.46Å; K651-L680 WeakPolarHBondContact O-CD1 3.44Å; V654-L680 HydrophobicContact CB-CD1 3.88Å; V654-L680 HydrophobicContact CG1-CB 4.29Å; V654-L680 HydrophobicContact CG1-CD1 3.7Å; A655-L680 HydrophobicContact CB-CD1 3.95Å; A655-L680 HydrophobicContact CB-CD2 4.36Å; A676-L680 WeakPolarHBondContact O-CB 3.48Å; A676-L680 PolarHBondContact O-N 3.4Å; C677-L680 PolarHBondContact O-N 2.94Å; V678-L680 VanDerWaalsContact C-N 3.31Å; V678-L680 PolarHBondContact O-N 3.19Å; L680-T682 VanDerWaalsContact C-N 3.25Å; L680-T682 PolarHBondContact O-N 3Å
681	N	94	Very high	93.2	Very high	97 Å²	97	22.2 Å²	22.2	52%	0.519	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	40.5	-172.9	-68.7	-50.7	0	0	0	113.5	C677 V678 P701 W703	C677-N681 WeakPolarHBondContact O-CA 3.41Å; C677-N681 PolarHBondContact O-N 3.49Å; V678-N681 PolarHBondContact O-N 3.27Å; N681-P701 HydrophobicContact CB-CB 4.07Å; N681-P701 HydrophobicContact CB-CG 3.94Å; N681-P701 WeakPolarHBondContact O-CG 3.26Å; N681-W703 PolarHBondContact OD1-NE1 2.89Å
682	T	95	Very high	93.2	Very high	12 Å²	12	23.4 Å²	23.4	7%	0.074	14%	0.144	C	C	.	.			trans	-93.5	127.7	173.6	-49.3	0	0	0	0	109.3	V654 A657 V660 C677 L680 L684 W703	V654-T682 HydrophobicContact CG1-CG2 4.37Å; V654-T682 PolarHBondContact O-OG1 3.16Å; A657-T682 WeakPolarHBondContact O-CG2 3.44Å; V660-T682 HydrophobicContact CG2-CG2 3.88Å; C677-T682 WeakPolarHBondContact CB-O 3.45Å; C677-T682 PolarHBondContact O-N 3.05Å; L680-T682 VanDerWaalsContact C-N 3.25Å; L680-T682 PolarHBondContact O-N 3Å; T682-L684 PolarHBondContact O-N 3.2Å; T682-W703 WeakPolarHBondContact O-CH2 3.47Å; T682-W703 WeakPolarHBondContact O-CZ2 3.31Å
683	P	95.7	Very high	93.1	Very high	30 Å²	30	22.4 Å²	22.4	20%	0.195	15%	0.147	C	C	.	.			trans	-50.9	137	171.8	-29	35.6	0	0	0	113.1	D658 V659 V660 T700 L746	D658-P683 WeakPolarHBondContact O-CD 3.46Å; V659-P683 HydrophobicContact CB-CB 4.41Å; V659-P683 HydrophobicContact CG2-CB 4.09Å; V660-P683 PolarHBondContact N-O 2.94Å; P683-T700 HydrophobicContact CB-CG2 4.31Å; P683-L746 HydrophobicContact CB-CD1 4.3Å
684	L	96.4	Very high	93	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.1	179.4	174.6	61.5	0	0	0	110.2	V660 D662 I673 N674 C677 T682 L699 W703	V660-L684 HydrophobicContact CB-CD1 4.26Å; V660-L684 HydrophobicContact CG1-CD1 4.21Å; D662-L684 HydrophobicContact CB-CD1 3.88Å; I673-L684 HydrophobicContact CG2-CD1 3.82Å; N674-L684 HydrophobicContact CB-CD2 4.06Å; C677-L684 HydrophobicContact CB-CB 4.13Å; T682-L684 PolarHBondContact O-N 3.2Å; L684-L699 HydrophobicContact CB-CB 4.49Å; L684-L699 HydrophobicContact CD2-CD1 4.38Å; L684-L699 PolarHBondContact N-O 3.48Å; L684-L699 PolarHBondContact O-N 3.35Å; L684-W703 HydrophobicContact CB-CH2 4.2Å
685	I	97	Very high	93	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.7	168.4	-56.7	169.6	0	0	0	108.1	V659 V660 L661 D662 L696 M697 V698 Q739 E742 A743 L746	V659-I685 HydrophobicContact CG2-CD1 3.94Å; V659-I685 HydrophobicContact CG2-CG1 4.08Å; V660-I685 PolarHBondContact O-N 3.49Å; L661-I685 WeakPolarHBondContact CA-O 3.41Å; L661-I685 HydrophobicContact CD2-CB 3.74Å; L661-I685 HydrophobicContact CD2-CD1 4.09Å; L661-I685 HydrophobicContact CD2-CG1 4.49Å; L661-I685 HydrophobicContact CD2-CG2 4.04Å; D662-I685 PolarHBondContact N-O 2.91Å; I685-L696 HydrophobicContact CG2-CD1 3.8Å; I685-M697 WeakPolarHBondContact CA-O 3.35Å; I685-V698 HydrophobicContact CG1-CG1 4.4Å; I685-V698 HydrophobicContact CG1-CG2 4.34Å; I685-V698 HydrophobicContact CG2-CG2 4.42Å; I685-Q739 HydrophobicContact CG2-CB 4.26Å; I685-Q739 HydrophobicContact CG2-CG 3.91Å; I685-Q739 PolarHBondContact O-NE2 3.21Å; I685-E742 HydrophobicContact CD1-CB 3.94Å; I685-A743 VanDerWaalsContact CD1-CA 3.49Å; I685-A743 HydrophobicContact CD1-CB 3.73Å; I685-A743 VanDerWaalsContact CD1-N 3.26Å; I685-L746 HydrophobicContact CD1-CD1 3.95Å; I685-L746 HydrophobicContact CG1-CD1 4.15Å
686	T	95.6	Very high	93.1	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.8	-177.9	-178.8	0	0	0	0	110.2	D662 R670 M697 L699 Y708	D662-T686 PolarHBondContact OD2-OG1 2.76Å; R670-T686 PolarHBondContact NH1-OG1 2.92Å; T686-M697 HydrophobicContact CG2-CB 3.82Å; T686-M697 PolarHBondContact N-O 3.4Å; T686-M697 PolarHBondContact O-N 3.06Å; T686-L699 HydrophobicContact CG2-CD1 4.37Å; T686-Y708 HydrophobicContact CG2-CD2 3.61Å; T686-Y708 HydrophobicContact CG2-CE2 3.93Å
687	A	95.1	Very high	93.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.4	174	0	0	0	0	0	111.1	L577 R670 Q695 L696 M735 Q739	L577-A687 HydrophobicContact CD2-CB 3.59Å; R670-A687 PolarHBondContact NH1-O 2.98Å; R670-A687 PolarHBondContact NH2-O 2.76Å; A687-Q695 CarbonylContact C-O 3.15Å; A687-Q695 WeakPolarHBondContact CA-O 3.32Å; A687-Q695 VanDerWaalsContact CB-O 3.24Å; A687-Q695 WeakPolarHBondContact CB-O 3.37Å; A687-L696 HydrophobicContact CB-CB 4.49Å; A687-L696 HydrophobicContact CB-CD1 3.85Å; A687-M735 HydrophobicContact CB-CB 4.23Å; A687-Q739 VanDerWaalsContact CB-CD 3.4Å; A687-Q739 HydrophobicContact CB-CG 3.49Å; A687-Q739 VanDerWaalsContact CB-CG 3.49Å
688	S	92.2	Very high	93.2	Very high	24 Å²	24	24.4 Å²	24.4	17%	0.168	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.9	172.5	72.1	0	0	0	0	109.8	R670 G694 Q695	R670-S688 VanDerWaalsContact NH2-CB 3.28Å; S688-G694 CarbonylContact O-C 3.58Å; S688-G694 WeakPolarHBondContact O-CA 3.31Å; S688-Q695 PolarHBondContact N-O 3.1Å; S688-Q695 PolarHBondContact O-N 3.24Å; S688-Q695 VanDerWaalsContact OG-CD 3.28Å; S688-Q695 WeakPolarHBondContact OG-CG 3.39Å; S688-Q695 PolarHBondContact OG-NE2 3.46Å
689	A	91	Very high	93.2	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.7	173.8	0	0	0	0	0	110.8	G693 C722 V727 V731 V732 M735	A689-G693 CarbonylContact C-O 3.59Å; A689-G693 VanDerWaalsContact CA-O 3.23Å; A689-G693 WeakPolarHBondContact CA-O 3.24Å; A689-C722 PolarHBondContact O-SG 2.82Å; A689-V727 HydrophobicContact CB-CG2 3.91Å; A689-V731 HydrophobicContact CB-CG1 3.82Å; A689-V732 HydrophobicContact CB-CG1 3.74Å; A689-M735 HydrophobicContact CB-CG 4.19Å
690	V	87.9	Confident	93.2	Very high	52 Å²	52	22.4 Å²	22.4	32%	0.315	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.5	175.1	65.1	0	0	0	0	109.5	F692 G693 A725	V690-F692 PolarHBondContact O-N 3.11Å; V690-G693 PolarHBondContact N-O 2.88Å; V690-G693 PolarHBondContact O-N 3.36Å; V690-A725 HydrophobicContact CG2-CB 3.68Å
691	G	89	Confident	93	Very high	21 Å²	21	20.8 Å²	20.8	22%	0.216	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	59.2	-110.3	-170.2	0	0	0	0	0	110.4	G726 V728	G691-G726 PolarHBondContact N-O 3.35Å; G691-V728 PolarHBondContact O-N 3.36Å
692	F	90.6	Very high	92.7	Very high	30 Å²	30	20.5 Å²	20.5	13%	0.132	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	15.6	164.5	-43.1	-154.7	0	0	0	113.4	V690 V728 V731 G762 K763 R811 E812	V690-F692 PolarHBondContact O-N 3.11Å; F692-V728 HydrophobicContact CD1-CB 4.49Å; F692-V728 HydrophobicContact CD1-CG2 4.33Å; F692-V728 HydrophobicContact CD2-CB 4.12Å; F692-V728 HydrophobicContact CD2-CG2 3.45Å; F692-V728 VanDerWaalsContact CD2-CG2 3.45Å; F692-V728 HydrophobicContact CE1-CG1 4.47Å; F692-V728 HydrophobicContact CE1-CG2 4.12Å; F692-V728 HydrophobicContact CE2-CB 4.3Å; F692-V728 HydrophobicContact CE2-CG2 3.25Å; F692-V728 HydrophobicContact CG-CB 4.27Å; F692-V728 HydrophobicContact CG-CG2 4.05Å; F692-V728 HydrophobicContact CZ-CB 4.5Å; F692-V728 HydrophobicContact CZ-CG2 3.59Å; F692-V731 HydrophobicContact CB-CG2 3.66Å; F692-V731 HydrophobicContact CD1-CG2 4.38Å; F692-V731 HydrophobicContact CG-CG2 4.19Å; F692-G762 WeakPolarHBondContact CD1-O 3.3Å; F692-G762 WeakPolarHBondContact O-CA 3.27Å; F692-G762 PolarHBondContact O-N 3.29Å; F692-K763 HydrophobicContact CB-CD 3.52Å; F692-K763 HydrophobicContact CB-CG 3.5Å; F692-K763 HydrophobicContact CD1-CD 4.14Å; F692-K763 VanDerWaalsContact CD1-CE 3.49Å; F692-K763 HydrophobicContact CD1-CG 4.06Å; F692-K763 HydrophobicContact CD2-CD 3.75Å; F692-K763 HydrophobicContact CE2-CD 4.39Å; F692-K763 VanDerWaalsContact CE2-NZ 3.25Å; F692-K763 HydrophobicContact CG-CD 3.56Å; F692-K763 HydrophobicContact CG-CG 3.84Å; F692-R811 HydrophobicContact CD1-CB 3.62Å; F692-R811 HydrophobicContact CD1-CG 4.5Å; F692-R811 HydrophobicContact CE1-CB 3.51Å; F692-R811 HydrophobicContact CE1-CG 4.4Å; F692-R811 HydrophobicContact CZ-CB 4.34Å; F692-E812 VanDerWaalsContact CZ-CD 3.43Å; F692-E812 WeakPolarHBondContact CZ-OE1 3.46Å; F692-E812 WeakPolarHBondContact CZ-OE2 3.34Å
693	G	90.5	Very high	92.3	Very high	27 Å²	27	20.9 Å²	20.9	28%	0.278	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.9	164.6	0	0	0	0	0	109.2	A689 V690 F760	A689-G693 CarbonylContact C-O 3.59Å; A689-G693 VanDerWaalsContact CA-O 3.23Å; A689-G693 WeakPolarHBondContact CA-O 3.24Å; V690-G693 PolarHBondContact N-O 2.88Å; V690-G693 PolarHBondContact O-N 3.36Å; G693-F760 CarbonylContact C-O 3.56Å; G693-F760 WeakPolarHBondContact CA-O 3.37Å
694	G	92.5	Very high	91.6	Very high	5 Å²	5	26.5 Å²	26.5	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.9	166.3	0	0	0	0	0	109.7	S688 M735 F760	S688-G694 CarbonylContact O-C 3.58Å; S688-G694 WeakPolarHBondContact O-CA 3.31Å; G694-M735 WeakPolarHBondContact CA-SD 3.2Å; G694-F760 PolarHBondContact N-O 3.02Å; G694-F760 PolarHBondContact O-N 3.48Å
695	Q	93.2	Very high	91	Very high	42 Å²	42	30.6 Å²	30.6	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.5	167.9	57.5	177.1	10.7	0	0	110.3	A687 S688 W712 L757 R758 L759	A687-Q695 CarbonylContact C-O 3.15Å; A687-Q695 WeakPolarHBondContact CA-O 3.32Å; A687-Q695 VanDerWaalsContact CB-O 3.24Å; A687-Q695 WeakPolarHBondContact CB-O 3.37Å; S688-Q695 PolarHBondContact N-O 3.1Å; S688-Q695 PolarHBondContact O-N 3.24Å; S688-Q695 VanDerWaalsContact OG-CD 3.28Å; S688-Q695 WeakPolarHBondContact OG-CG 3.39Å; S688-Q695 PolarHBondContact OG-NE2 3.46Å; Q695-W712 VanDerWaalsContact OE1-CH2 3.31Å; Q695-W712 VanDerWaalsContact OE1-CZ2 3.27Å; Q695-L757 HydrophobicContact CB-CD1 3.81Å; Q695-R758 CarbonylContact C-O 3.44Å; Q695-R758 VanDerWaalsContact CA-O 3.27Å; Q695-R758 WeakPolarHBondContact CA-O 3.2Å; Q695-L759 HydrophobicContact CB-CD2 3.82Å
696	L	95.3	Very high	90.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.1	-178.2	176.1	68	0	0	0	109.5	I685 A687 L738 Q739 E742 R758	I685-L696 HydrophobicContact CG2-CD1 3.8Å; A687-L696 HydrophobicContact CB-CB 4.49Å; A687-L696 HydrophobicContact CB-CD1 3.85Å; L696-L738 HydrophobicContact CD2-CB 3.75Å; L696-Q739 HydrophobicContact CD1-CG 3.72Å; L696-E742 HydrophobicContact CD2-CG 4.09Å; L696-R758 HydrophobicContact CB-CB 4.49Å; L696-R758 PolarHBondContact N-O 3.14Å; L696-R758 PolarHBondContact O-N 2.98Å
697	M	94.3	Very high	90.1	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.8	175.1	-74.4	170.7	56.3	0	0	109.9	I685 T686 L699 L711 W712 L757 L772	I685-M697 WeakPolarHBondContact CA-O 3.35Å; T686-M697 HydrophobicContact CG2-CB 3.82Å; T686-M697 PolarHBondContact N-O 3.4Å; T686-M697 PolarHBondContact O-N 3.06Å; M697-L699 HydrophobicContact CB-CG 4.41Å; M697-L699 HydrophobicContact CE-CD1 4.04Å; M697-L699 HydrophobicContact CE-CD2 3.68Å; M697-L699 HydrophobicContact CE-CG 4.1Å; M697-L711 HydrophobicContact CE-CD2 4.31Å; M697-L711 HydrophobicContact SD-CD2 3.84Å; M697-W712 HydrophobicContact CE-CZ3 4.44Å; M697-W712 HydrophobicContact SD-CH2 3.9Å; M697-W712 HydrophobicContact SD-CZ3 3.54Å; M697-W712 VanDerWaalsContact SD-CZ3 3.54Å; M697-L757 HydrophobicContact CG-CB 4.06Å; M697-L757 HydrophobicContact CG-CD1 3.7Å; M697-L757 HydrophobicContact SD-CB 4.15Å; M697-L757 HydrophobicContact SD-CD1 3.74Å; M697-L757 HydrophobicContact SD-CG 4.47Å; M697-L772 HydrophobicContact CE-CD1 3.34Å; M697-L772 HydrophobicContact CE-CD2 3.95Å; M697-L772 HydrophobicContact CE-CG 4.3Å; M697-L772 HydrophobicContact CG-CD1 4.27Å; M697-L772 HydrophobicContact SD-CD1 4.13Å
698	V	95.2	Very high	89.9	Confident	1 Å²	1	31 Å²	31	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.8	168.8	-179.3	0	0	0	0	107	I685 T700 E742 L746 G755	I685-V698 HydrophobicContact CG1-CG1 4.4Å; I685-V698 HydrophobicContact CG1-CG2 4.34Å; I685-V698 HydrophobicContact CG2-CG2 4.42Å; V698-T700 HydrophobicContact CG1-CG2 4.14Å; V698-E742 HydrophobicContact CG2-CB 3.84Å; V698-E742 HydrophobicContact CG2-CG 3.99Å; V698-L746 HydrophobicContact CG1-CD1 3.9Å; V698-L746 HydrophobicContact CG1-CG 4.49Å; V698-G755 PolarHBondContact O-N 3.42Å
699	L	92.7	Very high	89.8	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.4	-177.7	-60.3	171.5	0	0	0	108.9	L684 T686 M697 W703	L684-L699 HydrophobicContact CB-CB 4.49Å; L684-L699 HydrophobicContact CD2-CD1 4.38Å; L684-L699 PolarHBondContact N-O 3.48Å; L684-L699 PolarHBondContact O-N 3.35Å; T686-L699 HydrophobicContact CG2-CD1 4.37Å; M697-L699 HydrophobicContact CB-CG 4.41Å; M697-L699 HydrophobicContact CE-CD1 4.04Å; M697-L699 HydrophobicContact CE-CD2 3.68Å; M697-L699 HydrophobicContact CE-CG 4.1Å; L699-W703 HydrophobicContact CB-CE3 4.11Å; L699-W703 HydrophobicContact CB-CZ3 3.55Å
700	T	91.5	Very high	89.5	Confident	39 Å²	39	31.4 Å²	31.4	24%	0.239	18%	0.18	C	C	.	.			trans	-119.7	150.8	-175.8	52.6	0	0	0	0	111.3	P683 V698 W703 L746 A754	P683-T700 HydrophobicContact CB-CG2 4.31Å; V698-T700 HydrophobicContact CG1-CG2 4.14Å; T700-W703 WeakPolarHBondContact O-CA 3.23Å; T700-W703 PolarHBondContact O-N 2.7Å; T700-L746 HydrophobicContact CG2-CD1 4.39Å; T700-L746 HydrophobicContact CG2-CD2 4Å; T700-A754 WeakPolarHBondContact OG1-CB 3.43Å
701	P	88.3	Confident	89.5	Confident	40 Å²	40	32.1 Å²	32.1	26%	0.26	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	148.3	163.8	-9.6	22.4	0	0	0	110	N681 W703	N681-P701 HydrophobicContact CB-CB 4.07Å; N681-P701 HydrophobicContact CB-CG 3.94Å; N681-P701 WeakPolarHBondContact O-CG 3.26Å; P701-W703 VanDerWaalsContact C-N 3.31Å; P701-W703 VanDerWaalsContact CA-N 3.33Å; P701-W703 HydrophobicContact CG-CZ2 4.22Å
702	P	87.4	Confident	89.3	Confident	92 Å²	92	34.3 Å²	34.3	60%	0.597	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85	24.8	6.4	31	-30.7	0	0	0	115	E704	P702-E704 HydrophobicContact CG-CG 3.99Å; P702-E704 PolarHBondContact O-N 3.1Å
703	W	86.5	Confident	88.9	Confident	20 Å²	20	36.8 Å²	36.8	8%	0.076	20%	0.203	C	C	.	.			trans	60.7	28.2	175	-43.6	94.5	0	0	0	114.2	C677 V678 N681 T682 L684 L699 T700 P701 Q705 G706 C707	C677-W703 HydrophobicContact CB-CH2 4.07Å; C677-W703 HydrophobicContact CB-CZ2 4.43Å; C677-W703 WeakPolarHBondContact O-CZ2 3.32Å; V678-W703 HydrophobicContact CB-CZ2 4.45Å; V678-W703 HydrophobicContact CG2-CD2 3.89Å; V678-W703 HydrophobicContact CG2-CE3 3.93Å; V678-W703 HydrophobicContact CG2-CH2 4.07Å; V678-W703 HydrophobicContact CG2-CZ2 4.02Å; V678-W703 HydrophobicContact CG2-CZ3 3.99Å; N681-W703 PolarHBondContact OD1-NE1 2.89Å; T682-W703 WeakPolarHBondContact O-CH2 3.47Å; T682-W703 WeakPolarHBondContact O-CZ2 3.31Å; L684-W703 HydrophobicContact CB-CH2 4.2Å; L699-W703 HydrophobicContact CB-CE3 4.11Å; L699-W703 HydrophobicContact CB-CZ3 3.55Å; T700-W703 WeakPolarHBondContact O-CA 3.23Å; T700-W703 PolarHBondContact O-N 2.7Å; P701-W703 VanDerWaalsContact C-N 3.31Å; P701-W703 VanDerWaalsContact CA-N 3.33Å; P701-W703 HydrophobicContact CG-CZ2 4.22Å; W703-Q705 PolarHBondContact O-N 3.35Å; W703-G706 PolarHBondContact O-N 2.91Å; W703-C707 HydrophobicContact CE3-CB 4.07Å
704	E	81.7	Confident	88.2	Confident	148 Å²	148	40.8 Å²	40.8	69%	0.692	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.3	-178.6	-77.1	174.4	-176.1	0	0	112.6	P702 G706	P702-E704 HydrophobicContact CG-CG 3.99Å; P702-E704 PolarHBondContact O-N 3.1Å; E704-G706 VanDerWaalsContact C-N 3.28Å; E704-G706 PolarHBondContact O-N 3.13Å
705	Q	82.6	Confident	87.3	Confident	87 Å²	87	42.9 Å²	42.9	41%	0.407	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.3	178.6	-54.2	-138.8	27.2	0	0	113.4	W703 A754 G755 L772 R773 R774	W703-Q705 PolarHBondContact O-N 3.35Å; Q705-A754 PolarHBondContact NE2-O 3.42Å; Q705-A754 VanDerWaalsContact NE2-O 3.12Å; Q705-G755 PolarHBondContact OE1-O 3.41Å; Q705-G755 VanDerWaalsContact OE1-O 3.05Å; Q705-L772 CarbonylContact O-C 3.56Å; Q705-L772 PolarHBondContact OE1-O 3.16Å; Q705-R773 CarbonylContact O-C 3.51Å; Q705-R773 WeakPolarHBondContact O-CA 3.32Å; Q705-R773 PolarHBondContact O-N 3.02Å; Q705-R774 PolarHBondContact O-N 2.99Å; Q705-R774 VanDerWaalsContact O-N 3.09Å
706	G	85.4	Confident	86.4	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.031	25%	0.247	C	C	.	.			trans	105.6	169.1	-176	0	0	0	0	0	113.2	W703 E704	W703-G706 PolarHBondContact O-N 2.91Å; E704-G706 VanDerWaalsContact C-N 3.28Å; E704-G706 PolarHBondContact O-N 3.13Å
707	C	89.6	Confident	85.2	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.034	27%	0.265	C	S	.	.			trans	-109.3	179.3	171.6	72.3	0	0	0	0	109.9	N674 V678 W703 R709 C710	N674-C707 WeakPolarHBondContact OD1-CB 3.39Å; V678-C707 HydrophobicContact CG2-CB 3.62Å; W703-C707 HydrophobicContact CE3-CB 4.07Å; C707-R709 PolarHBondContact O-N 3.09Å; C707-C710 PolarHBondContact N-SG 3.09Å; C707-C710 VanDerWaalsContact N-SG 3.43Å; C707-C710 VanDerWaalsContact O-CB 3.25Å; C707-C710 WeakPolarHBondContact O-CB 3.48Å; C707-C710 PolarHBondContact O-N 3.44Å
708	Y	89.3	Confident	84	Confident	5 Å²	5	54 Å²	54	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-55	-40.8	-178.6	-171.2	-96.9	0	0	0	112.4	M667 R670 N674 T686 C710 L711 W712	M667-Y708 HydrophobicContact CE-CE1 4.3Å; M667-Y708 HydrophobicContact SD-CE1 3.7Å; R670-Y708 HydrophobicContact CB-CE1 4.16Å; N674-Y708 WeakPolarHBondContact OD1-CB 3.05Å; N674-Y708 PolarHBondContact OD1-N 3.17Å; T686-Y708 HydrophobicContact CG2-CD2 3.61Å; T686-Y708 HydrophobicContact CG2-CE2 3.93Å; Y708-C710 PolarHBondContact O-N 2.92Å; Y708-L711 PolarHBondContact O-N 3.02Å; Y708-W712 HydrophobicContact CD1-CE3 4.17Å; Y708-W712 AromaticContact CD2-CE3 3.75Å; Y708-W712 HydrophobicContact CD2-CE3 3.75Å; Y708-W712 AromaticContact CD2-CZ3 3.72Å; Y708-W712 HydrophobicContact CD2-CZ3 3.72Å; Y708-W712 HydrophobicContact CE1-CB 4.23Å; Y708-W712 HydrophobicContact CE1-CD2 4.37Å; Y708-W712 AromaticContact CE1-CE3 3.75Å; Y708-W712 HydrophobicContact CE1-CE3 3.75Å; Y708-W712 HydrophobicContact CE1-CZ3 4.48Å; Y708-W712 HydrophobicContact CE2-CD2 4.44Å; Y708-W712 AromaticContact CE2-CE3 3.33Å; Y708-W712 HydrophobicContact CE2-CE3 3.33Å; Y708-W712 HydrophobicContact CE2-CH2 4.29Å; Y708-W712 AromaticContact CE2-CZ3 3.22Å; Y708-W712 HydrophobicContact CE2-CZ3 3.22Å; Y708-W712 HydrophobicContact CG-CE3 4.17Å; Y708-W712 AromaticContact CZ-CE3 3.32Å; Y708-W712 AromaticContact CZ-CZ3 3.66Å; Y708-W712 PolarHBondContact O-N 3.45Å
709	R	90.3	Very high	82.6	Confident	16 Å²	16	61.2 Å²	61.2	6%	0.06	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-20.3	177.2	-172.9	145.4	37.9	-150.8	-15.1	114.7	C707 L711 W712 C780	C707-R709 PolarHBondContact O-N 3.09Å; R709-L711 PolarHBondContact O-N 3.29Å; R709-W712 WeakPolarHBondContact CA-O 3.46Å; R709-W712 CarbonylContact O-C 3.56Å; R709-C780 PolarHBondContact NE-SG 2.93Å; R709-C780 PolarHBondContact NH2-SG 2.99Å
710	C	86.5	Confident	81.2	Confident	20 Å²	20	67.8 Å²	67.8	14%	0.135	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-28.6	172.2	-69.4	0	0	0	0	111.8	C707 Y708 A775 C778	C707-C710 PolarHBondContact N-SG 3.09Å; C707-C710 VanDerWaalsContact N-SG 3.43Å; C707-C710 VanDerWaalsContact O-CB 3.25Å; C707-C710 WeakPolarHBondContact O-CB 3.48Å; C707-C710 PolarHBondContact O-N 3.44Å; Y708-C710 PolarHBondContact O-N 2.92Å; C710-A775 HydrophobicContact CB-CB 3.99Å; C710-C778 WeakPolarHBondContact SG-CB 3.39Å
711	L	86	Confident	80.1	Confident	66 Å²	66	67.6 Å²	67.6	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-95.6	-44.2	-179.4	-170.5	66.8	0	0	0	112	M697 Y708 R709 P713 L757 L772	M697-L711 HydrophobicContact CE-CD2 4.31Å; M697-L711 HydrophobicContact SD-CD2 3.84Å; Y708-L711 PolarHBondContact O-N 3.02Å; R709-L711 PolarHBondContact O-N 3.29Å; L711-P713 WeakPolarHBondContact O-CD 3.46Å; L711-L757 HydrophobicContact CD2-CB 4.45Å; L711-L757 HydrophobicContact CD2-CD2 3.73Å; L711-L772 HydrophobicContact CB-CD2 3.76Å; L711-L772 HydrophobicContact CD1-CD2 3.88Å; L711-L772 HydrophobicContact CD2-CD2 3.87Å; L711-L772 HydrophobicContact CG-CD2 4.04Å
712	W	86.2	Confident	79	Confident	67 Å²	67	67.7 Å²	67.7	25%	0.254	34%	0.343	S	S	.	.			trans	-115.2	91.3	174.9	-65.5	-77.2	0	0	0	109.9	M667 Q671 Q695 M697 Y708 R709 D714 L757	M667-W712 HydrophobicContact CE-CB 4.39Å; M667-W712 HydrophobicContact CE-CG 4.43Å; M667-W712 HydrophobicContact SD-CB 4.49Å; Q671-W712 PolarHBondContact NE2-O 2.85Å; Q695-W712 VanDerWaalsContact OE1-CH2 3.31Å; Q695-W712 VanDerWaalsContact OE1-CZ2 3.27Å; M697-W712 HydrophobicContact CE-CZ3 4.44Å; M697-W712 HydrophobicContact SD-CH2 3.9Å; M697-W712 HydrophobicContact SD-CZ3 3.54Å; M697-W712 VanDerWaalsContact SD-CZ3 3.54Å; Y708-W712 HydrophobicContact CD1-CE3 4.17Å; Y708-W712 AromaticContact CD2-CE3 3.75Å; Y708-W712 HydrophobicContact CD2-CE3 3.75Å; Y708-W712 AromaticContact CD2-CZ3 3.72Å; Y708-W712 HydrophobicContact CD2-CZ3 3.72Å; Y708-W712 HydrophobicContact CE1-CB 4.23Å; Y708-W712 HydrophobicContact CE1-CD2 4.37Å; Y708-W712 AromaticContact CE1-CE3 3.75Å; Y708-W712 HydrophobicContact CE1-CE3 3.75Å; Y708-W712 HydrophobicContact CE1-CZ3 4.48Å; Y708-W712 HydrophobicContact CE2-CD2 4.44Å; Y708-W712 AromaticContact CE2-CE3 3.33Å; Y708-W712 HydrophobicContact CE2-CE3 3.33Å; Y708-W712 HydrophobicContact CE2-CH2 4.29Å; Y708-W712 AromaticContact CE2-CZ3 3.22Å; Y708-W712 HydrophobicContact CE2-CZ3 3.22Å; Y708-W712 HydrophobicContact CG-CE3 4.17Å; Y708-W712 AromaticContact CZ-CE3 3.32Å; Y708-W712 AromaticContact CZ-CZ3 3.66Å; Y708-W712 PolarHBondContact O-N 3.45Å; R709-W712 WeakPolarHBondContact CA-O 3.46Å; R709-W712 CarbonylContact O-C 3.56Å; W712-D714 VanDerWaalsContact C-N 3.29Å; W712-D714 PolarHBondContact O-N 2.69Å; W712-L757 HydrophobicContact CH2-CD1 4.14Å; W712-L757 HydrophobicContact CH2-CD2 4.36Å
713	P	80.8	Confident	78.3	Confident	83 Å²	83	74.3 Å²	74.3	54%	0.539	36%	0.356	S	S	.	.			trans	-72.4	-23.8	-179.2	27.7	-33.8	0	0	0	113.2	L711	L711-P713 WeakPolarHBondContact O-CD 3.46Å
714	D	76.1	Confident	77.6	Confident	110 Å²	110	77.9 Å²	77.9	59%	0.588	38%	0.379	S	S	*	.			trans	-89.7	144.6	-173.8	-59.3	-38.4	0	0	0	112.2	M667 W712 Q716	M667-D714 WeakPolarHBondContact CG-O 3.4Å; W712-D714 VanDerWaalsContact C-N 3.29Å; W712-D714 PolarHBondContact O-N 2.69Å; D714-Q716 VanDerWaalsContact C-N 3.28Å
715	N	74.4	Confident	77.4	Confident	50 Å²	50	72.7 Å²	72.7	27%	0.267	36%	0.362	S	S	.	.			trans	-85.9	1	173.1	-66.8	-10.3	0	0	0	112.6	Q671	Q671-N715 WeakPolarHBondContact CG-OD1 3.41Å
716	Q	74.7	Confident	77.4	Confident	130 Å²	130	70.1 Å²	70.1	61%	0.607	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-73.9	135.7	-176.8	-70.5	-172.2	7.6	0	0	111.1	D714	D714-Q716 VanDerWaalsContact C-N 3.28Å
717	E	70.3	Confident	77.5	Confident	80 Å²	80	71.1 Å²	71.1	37%	0.374	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-62.7	131	169.6	-88.8	-71.2	122.8	0	0	110.4	N666 M667 N721	N666-E717 WeakPolarHBondContact CA-OE1 3.45Å; M667-E717 PolarHBondContact N-OE1 3.36Å; E717-N721 PolarHBondContact OE2-ND2 3.1Å
718	P	67.6	Low	77.4	Confident	69 Å²	69	73.2 Å²	73.2	45%	0.448	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-63.9	137.1	171.9	23.7	-29.6	0	0	0	110.7	R720	P718-R720 CarbonylContact O-C 3.6Å; P718-R720 PolarHBondContact O-N 2.87Å
719	E	65.6	Low	77.4	Confident	152 Å²	152	73.7 Å²	73.7	71%	0.71	38%	0.383	S	S	*	.	S	Bend	trans	-52.2	-32.8	-179.9	-73.4	-177.5	154.5	0	0	113.1	T724 N805	E719-T724 WeakPolarHBondContact O-CB 3.37Å; E719-T724 PolarHBondContact O-OG1 3.32Å; E719-N805 PolarHBondContact OE2-ND2 3.28Å; E719-N805 VanDerWaalsContact OE2-ND2 3.11Å
720	R	65	Low	77.5	Confident	141 Å²	141	77.5 Å²	77.5	53%	0.532	41%	0.41	S	S	.	.	S	Bend	trans	-99.9	97.7	171.3	-79.5	-173.6	143.9	-167	-4.5	109.7	P718 T724 A725	P718-R720 CarbonylContact O-C 3.6Å; P718-R720 PolarHBondContact O-N 2.87Å; R720-T724 WeakPolarHBondContact CA-OG1 2.89Å; R720-A725 HydrophobicContact CB-CB 4.22Å; R720-A725 HydrophobicContact CG-CB 4.24Å
721	N	68.4	Low	77.8	Confident	36 Å²	36	76.7 Å²	76.7	19%	0.193	41%	0.405	C	S	.	.	S	Bend	trans	-121.8	-179.1	171.9	64.3	24.4	0	0	0	110.3	E717 R723 T724 A725	E717-N721 PolarHBondContact OE2-ND2 3.1Å; N721-R723 PolarHBondContact O-N 3.37Å; N721-R723 VanDerWaalsContact O-N 3.1Å; N721-R723 WeakPolarHBondContact OD1-CB 3.39Å; N721-R723 PolarHBondContact OD1-N 3.28Å; N721-T724 PolarHBondContact N-OG1 3.4Å; N721-T724 PolarHBondContact O-N 3.27Å; N721-T724 PolarHBondContact O-OG1 2.69Å; N721-T724 PolarHBondContact OD1-N 3.17Å; N721-T724 PolarHBondContact OD1-OG1 2.72Å; N721-A725 PolarHBondContact O-N 3.09Å
722	C	64.5	Low	78.1	Confident	42 Å²	42	73.7 Å²	73.7	28%	0.284	39%	0.389	S	S	.	.	H	α-helix	trans	-52.7	-33.2	179.6	-62.6	0	0	0	0	113.3	A689 G726 V727	A689-C722 PolarHBondContact O-SG 2.82Å; C722-G726 VanDerWaalsContact O-CA 3.29Å; C722-G726 WeakPolarHBondContact O-CA 3.34Å; C722-G726 PolarHBondContact O-N 3.44Å; C722-V727 HydrophobicContact CB-CG1 4.43Å
723	R	71.8	Confident	78.4	Confident	231 Å²	231	71.4 Å²	71.4	87%	0.872	39%	0.386	S	S	*	.	H	α-helix	trans	-77	-38.7	-179	-96.1	176.4	66.3	179.3	-0	112.8	N721	N721-R723 PolarHBondContact O-N 3.37Å; N721-R723 VanDerWaalsContact O-N 3.1Å; N721-R723 WeakPolarHBondContact OD1-CB 3.39Å; N721-R723 PolarHBondContact OD1-N 3.28Å
724	T	73.1	Confident	79	Confident	94 Å²	94	70.1 Å²	70.1	58%	0.577	38%	0.377	S	S	*	.	H	α-helix	trans	-94	-32.8	-173	57.4	0	0	0	0	113.6	E719 R720 N721	E719-T724 WeakPolarHBondContact O-CB 3.37Å; E719-T724 PolarHBondContact O-OG1 3.32Å; R720-T724 WeakPolarHBondContact CA-OG1 2.89Å; N721-T724 PolarHBondContact N-OG1 3.4Å; N721-T724 PolarHBondContact O-N 3.27Å; N721-T724 PolarHBondContact O-OG1 2.69Å; N721-T724 PolarHBondContact OD1-N 3.17Å; N721-T724 PolarHBondContact OD1-OG1 2.72Å
725	A	77.2	Confident	80	Confident	40 Å²	40	64.9 Å²	64.9	33%	0.331	35%	0.349	S	S	.	.	H	α-helix	trans	-103	-8.8	-179.1	0	0	0	0	0	113.5	V690 R720 N721	V690-A725 HydrophobicContact CG2-CB 3.68Å; R720-A725 HydrophobicContact CB-CB 4.22Å; R720-A725 HydrophobicContact CG-CB 4.24Å; N721-A725 PolarHBondContact O-N 3.09Å
726	G	81.9	Confident	81	Confident	33 Å²	33	62.5 Å²	62.5	34%	0.34	34%	0.336	S	S	.	.			trans	72.6	173.4	-170.9	0	0	0	0	0	112.6	G691 C722	G691-G726 PolarHBondContact N-O 3.35Å; C722-G726 VanDerWaalsContact O-CA 3.29Å; C722-G726 WeakPolarHBondContact O-CA 3.34Å; C722-G726 PolarHBondContact O-N 3.44Å
727	V	87.9	Confident	82.1	Confident	23 Å²	23	58.3 Å²	58.3	14%	0.139	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-153.1	139.7	174.4	67.1	0	0	0	0	110.1	R608 A689 C722 V732	R608-V727 VanDerWaalsContact CD-CG1 3.49Å; A689-V727 HydrophobicContact CB-CG2 3.91Å; C722-V727 HydrophobicContact CB-CG1 4.43Å; V727-V732 HydrophobicContact CG1-CG1 4.38Å; V727-V732 HydrophobicContact CG2-CG1 3.61Å
728	V	86.8	Confident	83.3	Confident	49 Å²	49	56.2 Å²	56.2	30%	0.297	31%	0.311	S	S	.	.			trans	-86	125.3	177.9	170	0	0	0	0	110.2	G691 F692 P730 V731 V732	G691-V728 PolarHBondContact O-N 3.36Å; F692-V728 HydrophobicContact CD1-CB 4.49Å; F692-V728 HydrophobicContact CD1-CG2 4.33Å; F692-V728 HydrophobicContact CD2-CB 4.12Å; F692-V728 HydrophobicContact CD2-CG2 3.45Å; F692-V728 VanDerWaalsContact CD2-CG2 3.45Å; F692-V728 HydrophobicContact CE1-CG1 4.47Å; F692-V728 HydrophobicContact CE1-CG2 4.12Å; F692-V728 HydrophobicContact CE2-CB 4.3Å; F692-V728 HydrophobicContact CE2-CG2 3.25Å; F692-V728 HydrophobicContact CG-CB 4.27Å; F692-V728 HydrophobicContact CG-CG2 4.05Å; F692-V728 HydrophobicContact CZ-CB 4.5Å; F692-V728 HydrophobicContact CZ-CG2 3.59Å; V728-P730 HydrophobicContact CG1-CB 4.39Å; V728-P730 HydrophobicContact CG1-CG 4.15Å; V728-V731 HydrophobicContact CB-CG2 4.12Å; V728-V731 HydrophobicContact CG1-CG2 4.33Å; V728-V731 WeakPolarHBondContact O-CB 3.44Å; V728-V731 PolarHBondContact O-N 2.98Å; V728-V732 PolarHBondContact O-N 3.05Å
729	G	90.3	Very high	84.7	Confident	15 Å²	15	53 Å²	53	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-47.5	-48.7	-175.9	0	0	0	0	0	114.4	V731 V732 G733	G729-V731 VanDerWaalsContact C-N 3.26Å; G729-V731 PolarHBondContact O-N 2.92Å; G729-V732 WeakPolarHBondContact O-CG2 3.37Å; G729-V732 PolarHBondContact O-N 3.49Å; G729-G733 PolarHBondContact O-N 3.33Å
730	P	92.4	Very high	86.3	Confident	96 Å²	96	45.7 Å²	45.7	62%	0.623	26%	0.256	S	S	*	.	H	α-helix	trans	-54.6	-32.3	173	-32.4	34	0	0	0	115.8	V728 G733 V734	V728-P730 HydrophobicContact CG1-CB 4.39Å; V728-P730 HydrophobicContact CG1-CG 4.15Å; P730-G733 CarbonylContact O-C 3.58Å; P730-G733 WeakPolarHBondContact O-CA 3.25Å; P730-G733 PolarHBondContact O-N 2.97Å; P730-V734 VanDerWaalsContact O-CG2 3.27Å; P730-V734 WeakPolarHBondContact O-CG2 3.39Å; P730-V734 PolarHBondContact O-N 2.97Å
731	V	92.4	Very high	87.8	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-72.7	-42.3	-178.4	178.9	0	0	0	0	110.5	A689 F692 V728 G729 G733 V734 M735 F760	A689-V731 HydrophobicContact CB-CG1 3.82Å; F692-V731 HydrophobicContact CB-CG2 3.66Å; F692-V731 HydrophobicContact CD1-CG2 4.38Å; F692-V731 HydrophobicContact CG-CG2 4.19Å; V728-V731 HydrophobicContact CB-CG2 4.12Å; V728-V731 HydrophobicContact CG1-CG2 4.33Å; V728-V731 WeakPolarHBondContact O-CB 3.44Å; V728-V731 PolarHBondContact O-N 2.98Å; G729-V731 VanDerWaalsContact C-N 3.26Å; G729-V731 PolarHBondContact O-N 2.92Å; V731-G733 VanDerWaalsContact C-N 3.27Å; V731-G733 PolarHBondContact O-N 3.18Å; V731-V734 PolarHBondContact O-N 2.8Å; V731-M735 WeakPolarHBondContact O-CG 3.27Å; V731-M735 PolarHBondContact O-N 3.28Å; V731-F760 HydrophobicContact CG1-CD1 4.39Å
732	V	92.6	Very high	89.2	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-33.4	170.8	-64.1	0	0	0	0	111.4	G576 L577 R608 A689 V727 V728 G729 M735 G736	G576-V732 WeakPolarHBondContact O-CG2 3.33Å; L577-V732 HydrophobicContact CD1-CB 4.14Å; L577-V732 HydrophobicContact CD1-CG1 3.91Å; L577-V732 HydrophobicContact CG-CB 4.27Å; R608-V732 HydrophobicContact CB-CG2 3.78Å; R608-V732 HydrophobicContact CG-CG2 4.47Å; A689-V732 HydrophobicContact CB-CG1 3.74Å; V727-V732 HydrophobicContact CG1-CG1 4.38Å; V727-V732 HydrophobicContact CG2-CG1 3.61Å; V728-V732 PolarHBondContact O-N 3.05Å; G729-V732 WeakPolarHBondContact O-CG2 3.37Å; G729-V732 PolarHBondContact O-N 3.49Å; V732-M735 PolarHBondContact O-N 3.01Å; V732-G736 PolarHBondContact O-N 3.29Å
733	G	93.1	Very high	90.7	Very high	19 Å²	19	38.9 Å²	38.9	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-54.3	-55.7	169	0	0	0	0	0	112	G729 P730 V731 M735 G736 T737	G729-G733 PolarHBondContact O-N 3.33Å; P730-G733 CarbonylContact O-C 3.58Å; P730-G733 WeakPolarHBondContact O-CA 3.25Å; P730-G733 PolarHBondContact O-N 2.97Å; V731-G733 VanDerWaalsContact C-N 3.27Å; V731-G733 PolarHBondContact O-N 3.18Å; G733-M735 PolarHBondContact O-N 3Å; G733-G736 PolarHBondContact O-N 2.8Å; G733-T737 WeakPolarHBondContact O-CB 3.31Å; G733-T737 PolarHBondContact O-N 2.84Å; G733-T737 PolarHBondContact O-OG1 3.26Å
734	V	93.8	Very high	91.9	Very high	55 Å²	55	28.9 Å²	28.9	33%	0.333	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-46.2	178.3	175.2	0	0	0	0	111.1	P730 V731 G736 T737 L738 F760 W767	P730-V734 VanDerWaalsContact O-CG2 3.27Å; P730-V734 WeakPolarHBondContact O-CG2 3.39Å; P730-V734 PolarHBondContact O-N 2.97Å; V731-V734 PolarHBondContact O-N 2.8Å; V734-G736 PolarHBondContact O-N 2.72Å; V734-T737 PolarHBondContact O-N 3.08Å; V734-L738 HydrophobicContact CG1-CD1 3.84Å; V734-L738 HydrophobicContact CG1-CG 4.45Å; V734-L738 WeakPolarHBondContact O-CB 3.2Å; V734-L738 VanDerWaalsContact O-CG 3.26Å; V734-L738 WeakPolarHBondContact O-CG 3.44Å; V734-L738 PolarHBondContact O-N 2.91Å; V734-F760 HydrophobicContact CB-CE1 4.44Å; V734-F760 HydrophobicContact CG1-CD1 4.42Å; V734-F760 HydrophobicContact CG1-CE1 4.12Å; V734-F760 HydrophobicContact CG1-CZ 4.46Å; V734-W767 HydrophobicContact CG1-CZ2 4.44Å
735	M	95.8	Very high	93	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-43.5	178.6	-68	-52.3	92.8	0	0	112.2	L577 A687 A689 G694 V731 V732 G733 L738 Q739 F760 W767	L577-M735 HydrophobicContact CD2-CB 3.69Å; L577-M735 HydrophobicContact CG-CB 4.31Å; A687-M735 HydrophobicContact CB-CB 4.23Å; A689-M735 HydrophobicContact CB-CG 4.19Å; G694-M735 WeakPolarHBondContact CA-SD 3.2Å; V731-M735 WeakPolarHBondContact O-CG 3.27Å; V731-M735 PolarHBondContact O-N 3.28Å; V732-M735 PolarHBondContact O-N 3.01Å; G733-M735 PolarHBondContact O-N 3Å; M735-L738 HydrophobicContact CE-CD1 4.09Å; M735-L738 PolarHBondContact O-N 3.13Å; M735-Q739 WeakPolarHBondContact O-CB 3.26Å; M735-Q739 WeakPolarHBondContact O-CG 3.46Å; M735-Q739 PolarHBondContact O-N 2.86Å; M735-F760 HydrophobicContact CE-CB 3.66Å; M735-F760 HydrophobicContact CE-CD1 3.57Å; M735-F760 HydrophobicContact CE-CE1 4.44Å; M735-F760 HydrophobicContact CE-CG 3.87Å; M735-F760 HydrophobicContact SD-CB 4.39Å; M735-W767 HydrophobicContact CE-CH2 3.57Å; M735-W767 HydrophobicContact CE-CZ2 4.11Å; M735-W767 HydrophobicContact CE-CZ3 4.47Å; M735-W767 HydrophobicContact SD-CH2 4.46Å
736	G	96.4	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.7	-37.6	178.5	0	0	0	0	0	113.5	L577 A581 V732 G733 V734 L738 Q739 A740	L577-G736 WeakPolarHBondContact O-CA 3.3Å; A581-G736 WeakPolarHBondContact CA-O 3.49Å; A581-G736 WeakPolarHBondContact CB-O 3.43Å; V732-G736 PolarHBondContact O-N 3.29Å; G733-G736 PolarHBondContact O-N 2.8Å; V734-G736 PolarHBondContact O-N 2.72Å; G736-L738 VanDerWaalsContact C-N 3.33Å; G736-L738 PolarHBondContact O-N 2.83Å; G736-Q739 WeakPolarHBondContact O-CB 3.44Å; G736-Q739 PolarHBondContact O-N 3.05Å; G736-A740 PolarHBondContact O-N 2.55Å
737	T	97.1	Very high	94.5	Very high	43 Å²	43	26.4 Å²	26.4	26%	0.264	16%	0.157	S	C	.	.	H	α-helix	trans	-62.9	-40.7	171.6	-60.9	0	0	0	0	111.4	Y584 G733 V734 A740 L741	Y584-T737 HydrophobicContact CD2-CG2 3.84Å; Y584-T737 HydrophobicContact CE2-CG2 3.66Å; Y584-T737 WeakPolarHBondContact CE2-OG1 3.37Å; Y584-T737 HydrophobicContact CG-CG2 4.47Å; G733-T737 WeakPolarHBondContact O-CB 3.31Å; G733-T737 PolarHBondContact O-N 2.84Å; G733-T737 PolarHBondContact O-OG1 3.26Å; V734-T737 PolarHBondContact O-N 3.08Å; T737-A740 PolarHBondContact O-N 3Å; T737-L741 PolarHBondContact O-N 2.64Å
738	L	96.6	Very high	94.7	Very high	36 Å²	36	25.5 Å²	25.5	19%	0.188	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-37.5	175.9	-71	170.6	0	0	0	112	L696 V734 M735 G736 A740 L741 E742 W767	L696-L738 HydrophobicContact CD2-CB 3.75Å; V734-L738 HydrophobicContact CG1-CD1 3.84Å; V734-L738 HydrophobicContact CG1-CG 4.45Å; V734-L738 WeakPolarHBondContact O-CB 3.2Å; V734-L738 VanDerWaalsContact O-CG 3.26Å; V734-L738 WeakPolarHBondContact O-CG 3.44Å; V734-L738 PolarHBondContact O-N 2.91Å; M735-L738 HydrophobicContact CE-CD1 4.09Å; M735-L738 PolarHBondContact O-N 3.13Å; G736-L738 VanDerWaalsContact C-N 3.33Å; G736-L738 PolarHBondContact O-N 2.83Å; L738-A740 VanDerWaalsContact C-N 3.29Å; L738-A740 PolarHBondContact O-N 3.13Å; L738-L741 HydrophobicContact CD2-CD2 4.15Å; L738-L741 PolarHBondContact O-N 3.1Å; L738-E742 VanDerWaalsContact O-CG 3.23Å; L738-E742 WeakPolarHBondContact O-CG 3.17Å; L738-E742 PolarHBondContact O-N 3.45Å; L738-W767 HydrophobicContact CD1-CH2 3.14Å; L738-W767 HydrophobicContact CD1-CZ2 3.33Å; L738-W767 HydrophobicContact CD1-CZ3 4.32Å
739	Q	96.9	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-54.5	-46.2	169.8	-81.9	-167.8	-70.9	0	0	111.4	L661 D662 C663 I685 A687 L696 M735 G736 A743	L661-Q739 HydrophobicContact CD2-CB 3.75Å; L661-Q739 HydrophobicContact CD2-CG 4.35Å; D662-Q739 PolarHBondContact O-NE2 2.74Å; C663-Q739 PolarHBondContact SG-OE1 2.62Å; I685-Q739 HydrophobicContact CG2-CB 4.26Å; I685-Q739 HydrophobicContact CG2-CG 3.91Å; I685-Q739 PolarHBondContact O-NE2 3.21Å; A687-Q739 VanDerWaalsContact CB-CD 3.4Å; A687-Q739 HydrophobicContact CB-CG 3.49Å; A687-Q739 VanDerWaalsContact CB-CG 3.49Å; L696-Q739 HydrophobicContact CD1-CG 3.72Å; M735-Q739 WeakPolarHBondContact O-CB 3.26Å; M735-Q739 WeakPolarHBondContact O-CG 3.46Å; M735-Q739 PolarHBondContact O-N 2.86Å; G736-Q739 WeakPolarHBondContact O-CB 3.44Å; G736-Q739 PolarHBondContact O-N 3.05Å; Q739-A743 WeakPolarHBondContact O-CB 3.3Å; Q739-A743 PolarHBondContact O-N 2.9Å
740	A	97.7	Very high	94.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-42.5	174.5	0	0	0	0	0	113.2	A581 L585 G736 T737 L738 E742 A743 I744	A581-A740 HydrophobicContact CB-CB 4.46Å; L585-A740 HydrophobicContact CD1-CB 4.36Å; L585-A740 HydrophobicContact CD2-CB 4.14Å; L585-A740 HydrophobicContact CG-CB 3.82Å; G736-A740 PolarHBondContact O-N 2.55Å; T737-A740 PolarHBondContact O-N 3Å; L738-A740 VanDerWaalsContact C-N 3.29Å; L738-A740 PolarHBondContact O-N 3.13Å; A740-E742 PolarHBondContact O-N 3.13Å; A740-A743 PolarHBondContact O-N 3.14Å; A740-I744 VanDerWaalsContact O-CG1 3.31Å; A740-I744 WeakPolarHBondContact O-CG1 3.42Å; A740-I744 PolarHBondContact O-N 3.41Å
741	L	97.3	Very high	94.4	Very high	75 Å²	75	31.7 Å²	31.7	39%	0.393	18%	0.181	S	C	.	.	H	α-helix	trans	-62.2	-43.9	178.5	178.3	61	0	0	0	112	T737 L738 A743 I744 K745	T737-L741 PolarHBondContact O-N 2.64Å; L738-L741 HydrophobicContact CD2-CD2 4.15Å; L738-L741 PolarHBondContact O-N 3.1Å; L741-A743 VanDerWaalsContact C-N 3.32Å; L741-I744 PolarHBondContact O-N 3.4Å; L741-K745 WeakPolarHBondContact O-CG 3.5Å; L741-K745 PolarHBondContact O-N 3.13Å
742	E	97	Very high	93.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-33.6	177.9	-59.7	-66.4	131.3	0	0	111.7	I685 L696 V698 L738 A740 K745 L746 T752 R758	I685-E742 HydrophobicContact CD1-CB 3.94Å; L696-E742 HydrophobicContact CD2-CG 4.09Å; V698-E742 HydrophobicContact CG2-CB 3.84Å; V698-E742 HydrophobicContact CG2-CG 3.99Å; L738-E742 VanDerWaalsContact O-CG 3.23Å; L738-E742 WeakPolarHBondContact O-CG 3.17Å; L738-E742 PolarHBondContact O-N 3.45Å; A740-E742 PolarHBondContact O-N 3.13Å; E742-K745 PolarHBondContact O-N 3.3Å; E742-K745 IonicContact OE1-NZ 3.43Å; E742-K745 PolarHBondContact OE1-NZ 2.96Å; E742-L746 WeakPolarHBondContact O-CG 3.26Å; E742-L746 PolarHBondContact O-N 3.2Å; E742-T752 HydrophobicContact CB-CG2 4.47Å; E742-T752 WeakPolarHBondContact OE2-CG2 3.4Å; E742-R758 IonicContact OE1-CZ 3.7Å; E742-R758 IonicContact OE1-NH1 3.38Å; E742-R758 PolarHBondContact OE1-NH1 3.45Å; E742-R758 IonicContact OE1-NH2 2.92Å; E742-R758 IonicContact OE2-CZ 3.45Å; E742-R758 IonicContact OE2-NH1 3.83Å; E742-R758 IonicContact OE2-NH2 3.29Å; E742-R758 PolarHBondContact OE2-NH2 3.27Å
743	A	97.4	Very high	93.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-45.2	171.3	0	0	0	0	0	111.5	L585 V659 L661 I685 Q739 A740 L741 K745 L746 L747	L585-A743 HydrophobicContact CD2-CB 3.97Å; V659-A743 HydrophobicContact CG1-CB 4.29Å; L661-A743 HydrophobicContact CD1-CB 4.49Å; L661-A743 HydrophobicContact CD2-CB 4.38Å; I685-A743 VanDerWaalsContact CD1-CA 3.49Å; I685-A743 HydrophobicContact CD1-CB 3.73Å; I685-A743 VanDerWaalsContact CD1-N 3.26Å; Q739-A743 WeakPolarHBondContact O-CB 3.3Å; Q739-A743 PolarHBondContact O-N 2.9Å; A740-A743 PolarHBondContact O-N 3.14Å; L741-A743 VanDerWaalsContact C-N 3.32Å; A743-K745 VanDerWaalsContact C-N 3.32Å; A743-K745 PolarHBondContact O-N 2.69Å; A743-L746 PolarHBondContact O-N 2.99Å; A743-L747 WeakPolarHBondContact O-CB 3.43Å; A743-L747 VanDerWaalsContact O-CG 3.23Å; A743-L747 WeakPolarHBondContact O-CG 3.24Å; A743-L747 PolarHBondContact O-N 3.1Å
744	I	96.6	Very high	92.4	Very high	20 Å²	20	35.6 Å²	35.6	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-45.4	176	-70.2	163.7	0	0	0	110.3	I556 L564 L585 A588 A740 L741 L747 S748	I556-I744 HydrophobicContact CD1-CG2 4.33Å; L564-I744 HydrophobicContact CD1-CG2 4.17Å; L564-I744 HydrophobicContact CD2-CG1 4.47Å; L564-I744 HydrophobicContact CD2-CG2 4.36Å; L585-I744 HydrophobicContact CD2-CD1 4.47Å; L585-I744 HydrophobicContact CD2-CG1 3.95Å; A588-I744 HydrophobicContact CB-CD1 3.56Å; A588-I744 HydrophobicContact CB-CG1 4.08Å; A740-I744 VanDerWaalsContact O-CG1 3.31Å; A740-I744 WeakPolarHBondContact O-CG1 3.42Å; A740-I744 PolarHBondContact O-N 3.41Å; L741-I744 PolarHBondContact O-N 3.4Å; I744-L747 PolarHBondContact O-N 3.47Å; I744-S748 WeakPolarHBondContact O-CB 3.3Å; I744-S748 PolarHBondContact O-N 2.63Å; I744-S748 PolarHBondContact O-OG 2.91Å
745	K	95.9	Very high	91.7	Very high	50 Å²	50	33.1 Å²	33.1	22%	0.217	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-50.9	177	-70.3	172.1	-174.3	170.1	0	111.9	L741 E742 A743 L747 S748 G749 I750 T752	L741-K745 WeakPolarHBondContact O-CG 3.5Å; L741-K745 PolarHBondContact O-N 3.13Å; E742-K745 PolarHBondContact O-N 3.3Å; E742-K745 IonicContact OE1-NZ 3.43Å; E742-K745 PolarHBondContact OE1-NZ 2.96Å; A743-K745 VanDerWaalsContact C-N 3.32Å; A743-K745 PolarHBondContact O-N 2.69Å; K745-L747 VanDerWaalsContact C-N 3.34Å; K745-L747 PolarHBondContact O-N 2.97Å; K745-S748 PolarHBondContact O-OG 2.9Å; K745-G749 PolarHBondContact O-N 3.27Å; K745-I750 CarbonylContact C-O 3.56Å; K745-I750 HydrophobicContact CB-CB 3.9Å; K745-I750 HydrophobicContact CB-CG2 4.28Å; K745-I750 HydrophobicContact CG-CB 4.11Å; K745-I750 HydrophobicContact CG-CD1 4.45Å; K745-I750 HydrophobicContact CG-CG2 4.07Å; K745-I750 PolarHBondContact O-N 3.12Å; K745-T752 HydrophobicContact CB-CG2 3.56Å; K745-T752 HydrophobicContact CD-CG2 3.48Å; K745-T752 VanDerWaalsContact CD-CG2 3.48Å; K745-T752 HydrophobicContact CG-CG2 4.19Å
746	L	94.3	Very high	91.3	Very high	45 Å²	45	35.3 Å²	35.3	24%	0.236	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-45.6	178.7	-80.9	176.9	0	0	0	112.1	V659 P683 I685 V698 T700 E742 A743 T752	V659-L746 HydrophobicContact CG2-CD1 4.35Å; P683-L746 HydrophobicContact CB-CD1 4.3Å; I685-L746 HydrophobicContact CD1-CD1 3.95Å; I685-L746 HydrophobicContact CG1-CD1 4.15Å; V698-L746 HydrophobicContact CG1-CD1 3.9Å; V698-L746 HydrophobicContact CG1-CG 4.49Å; T700-L746 HydrophobicContact CG2-CD1 4.39Å; T700-L746 HydrophobicContact CG2-CD2 4Å; E742-L746 WeakPolarHBondContact O-CG 3.26Å; E742-L746 PolarHBondContact O-N 3.2Å; A743-L746 PolarHBondContact O-N 2.99Å; L746-T752 WeakPolarHBondContact CD2-OG1 3.4Å; L746-T752 WeakPolarHBondContact CG-OG1 3.05Å
747	L	95.6	Very high	91.1	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-76	-34.3	-175.3	-64.9	173.6	0	0	0	113.1	K563 L564 V569 V590 D658 V659 A743 I744 K745 G749	K563-L747 WeakPolarHBondContact CB-O 3.28Å; K563-L747 WeakPolarHBondContact CD-O 3.27Å; L564-L747 HydrophobicContact CD2-CB 3.67Å; L564-L747 HydrophobicContact CD2-CD1 4.28Å; V569-L747 HydrophobicContact CG2-CD1 3.6Å; V590-L747 HydrophobicContact CG2-CD1 4.49Å; D658-L747 HydrophobicContact CB-CD2 3.76Å; V659-L747 HydrophobicContact CG1-CD1 3.94Å; V659-L747 HydrophobicContact CG1-CD2 4.01Å; V659-L747 HydrophobicContact CG1-CG 4.09Å; A743-L747 WeakPolarHBondContact O-CB 3.43Å; A743-L747 VanDerWaalsContact O-CG 3.23Å; A743-L747 WeakPolarHBondContact O-CG 3.24Å; A743-L747 PolarHBondContact O-N 3.1Å; I744-L747 PolarHBondContact O-N 3.47Å; K745-L747 VanDerWaalsContact C-N 3.34Å; K745-L747 PolarHBondContact O-N 2.97Å; L747-G749 VanDerWaalsContact C-N 3.35Å
748	S	92.9	Very high	90.9	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-76.7	-23.7	175.3	66.9	0	0	0	0	112.7	K563 I744 K745 I750	K563-S748 PolarHBondContact NZ-O 2.77Å; I744-S748 WeakPolarHBondContact O-CB 3.3Å; I744-S748 PolarHBondContact O-N 2.63Å; I744-S748 PolarHBondContact O-OG 2.91Å; K745-S748 PolarHBondContact O-OG 2.9Å; S748-I750 WeakPolarHBondContact OG-CG1 3.47Å
749	G	88.3	Confident	90.8	Very high	56 Å²	56	35.6 Å²	35.6	58%	0.577	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	103.2	17.1	179.5	0	0	0	0	0	114.5	K745 L747	K745-G749 PolarHBondContact O-N 3.27Å; L747-G749 VanDerWaalsContact C-N 3.35Å
750	I	89.7	Confident	90.6	Very high	47 Å²	47	36.3 Å²	36.3	24%	0.241	20%	0.203	C	C	.	.			trans	-78.5	131.6	173.4	-58.4	173.5	0	0	0	109	D555 I556 K745 S748 T752	D555-I750 HydrophobicContact CB-CD1 3.69Å; D555-I750 HydrophobicContact CB-CG1 3.93Å; I556-I750 HydrophobicContact CG1-CD1 3.92Å; K745-I750 CarbonylContact C-O 3.56Å; K745-I750 HydrophobicContact CB-CB 3.9Å; K745-I750 HydrophobicContact CB-CG2 4.28Å; K745-I750 HydrophobicContact CG-CB 4.11Å; K745-I750 HydrophobicContact CG-CD1 4.45Å; K745-I750 HydrophobicContact CG-CG2 4.07Å; K745-I750 PolarHBondContact O-N 3.12Å; S748-I750 WeakPolarHBondContact OG-CG1 3.47Å; I750-T752 PolarHBondContact O-N 2.86Å
751	E	85	Confident	90.2	Very high	187 Å²	187	37.8 Å²	37.8	87%	0.874	21%	0.21	S	C	*	.			trans	-59.2	130	179.2	-165.8	173	-168.1	0	0	111
752	T	83	Confident	89.6	Confident	16 Å²	16	34.2 Å²	34.2	10%	0.098	19%	0.192	C	C	.	.			trans	-120.6	135.5	-178.9	13.3	0	0	0	0	109.8	E742 K745 L746 I750 A754	E742-T752 HydrophobicContact CB-CG2 4.47Å; E742-T752 WeakPolarHBondContact OE2-CG2 3.4Å; K745-T752 HydrophobicContact CB-CG2 3.56Å; K745-T752 HydrophobicContact CD-CG2 3.48Å; K745-T752 VanDerWaalsContact CD-CG2 3.48Å; K745-T752 HydrophobicContact CG-CG2 4.19Å; L746-T752 WeakPolarHBondContact CD2-OG1 3.4Å; L746-T752 WeakPolarHBondContact CG-OG1 3.05Å; I750-T752 PolarHBondContact O-N 2.86Å; T752-A754 PolarHBondContact O-N 2.7Å
753	P	77.7	Confident	89	Confident	59 Å²	59	35.1 Å²	35.1	38%	0.383	20%	0.195	S	C	.	.			trans	-60.6	97.5	175.8	-19.9	31	0	0	0	110.5	E756	P753-E756 HydrophobicContact CB-CG 4.02Å; P753-E756 WeakPolarHBondContact CB-OE1 3.13Å
754	A	76.4	Confident	88.5	Confident	32 Å²	32	36.2 Å²	36.2	26%	0.264	20%	0.203	S	C	.	.			trans	-89.4	138.6	173.4	0	0	0	0	0	109.5	T700 Q705 T752	T700-A754 WeakPolarHBondContact OG1-CB 3.43Å; Q705-A754 PolarHBondContact NE2-O 3.42Å; Q705-A754 VanDerWaalsContact NE2-O 3.12Å; T752-A754 PolarHBondContact O-N 2.7Å
755	G	78.1	Confident	87.8	Confident	4 Å²	4	38.3 Å²	38.3	4%	0.041	22%	0.22	C	C	.	.	S	Bend	trans	84.9	23.9	175.7	0	0	0	0	0	116	V698 Q705 L772	V698-G755 PolarHBondContact O-N 3.42Å; Q705-G755 PolarHBondContact OE1-O 3.41Å; Q705-G755 VanDerWaalsContact OE1-O 3.05Å; G755-L772 WeakPolarHBondContact O-CB 3.44Å; G755-L772 PolarHBondContact O-N 3.33Å
756	E	88.4	Confident	87.3	Confident	45 Å²	45	39.8 Å²	39.8	21%	0.21	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.5	162.4	54.4	171	-153.3	0	0	111.2	P753 R758 S769 L770	P753-E756 HydrophobicContact CB-CG 4.02Å; P753-E756 WeakPolarHBondContact CB-OE1 3.13Å; E756-R758 HydrophobicContact CG-CG 4.22Å; E756-R758 VanDerWaalsContact OE1-CD 3.3Å; E756-R758 WeakPolarHBondContact OE1-CD 3.34Å; E756-R758 WeakPolarHBondContact OE1-CG 2.99Å; E756-R758 IonicContact OE1-NE 3.91Å; E756-S769 PolarHBondContact OE1-OG 2.67Å; E756-S769 WeakPolarHBondContact OE2-CB 3.31Å; E756-S769 PolarHBondContact OE2-OG 3.44Å; E756-L770 CarbonylContact C-O 3.52Å; E756-L770 WeakPolarHBondContact CA-O 3.44Å
757	L	91.5	Very high	87.2	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	110.2	163.4	166.7	63.9	0	0	0	107.6	Q695 M697 L711 W712 L759 S769 L770 L772	Q695-L757 HydrophobicContact CB-CD1 3.81Å; M697-L757 HydrophobicContact CG-CB 4.06Å; M697-L757 HydrophobicContact CG-CD1 3.7Å; M697-L757 HydrophobicContact SD-CB 4.15Å; M697-L757 HydrophobicContact SD-CD1 3.74Å; M697-L757 HydrophobicContact SD-CG 4.47Å; L711-L757 HydrophobicContact CD2-CB 4.45Å; L711-L757 HydrophobicContact CD2-CD2 3.73Å; W712-L757 HydrophobicContact CH2-CD1 4.14Å; W712-L757 HydrophobicContact CH2-CD2 4.36Å; L757-L759 HydrophobicContact CD1-CD2 3.92Å; L757-L759 HydrophobicContact CD2-CD2 3.94Å; L757-L759 HydrophobicContact CD2-CG 4.34Å; L757-L759 HydrophobicContact CG-CD2 3.85Å; L757-L759 HydrophobicContact CG-CG 4.11Å; L757-S769 WeakPolarHBondContact O-CA 3.24Å; L757-L770 HydrophobicContact CB-CB 4.34Å; L757-L770 HydrophobicContact CD2-CD1 4.18Å; L757-L770 PolarHBondContact N-O 2.83Å; L757-L770 PolarHBondContact O-N 3.09Å; L757-L772 HydrophobicContact CB-CD1 4.29Å
758	R	93.3	Very high	86.7	Confident	29 Å²	29	49.3 Å²	49.3	11%	0.109	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115	173.3	-73	-177.9	-73.1	-175.7	-12.9	109.3	Q695 L696 E742 E756 W767	Q695-R758 CarbonylContact C-O 3.44Å; Q695-R758 VanDerWaalsContact CA-O 3.27Å; Q695-R758 WeakPolarHBondContact CA-O 3.2Å; L696-R758 HydrophobicContact CB-CB 4.49Å; L696-R758 PolarHBondContact N-O 3.14Å; L696-R758 PolarHBondContact O-N 2.98Å; E742-R758 IonicContact OE1-CZ 3.7Å; E742-R758 IonicContact OE1-NH1 3.38Å; E742-R758 PolarHBondContact OE1-NH1 3.45Å; E742-R758 IonicContact OE1-NH2 2.92Å; E742-R758 IonicContact OE2-CZ 3.45Å; E742-R758 IonicContact OE2-NH1 3.83Å; E742-R758 IonicContact OE2-NH2 3.29Å; E742-R758 PolarHBondContact OE2-NH2 3.27Å; E756-R758 HydrophobicContact CG-CG 4.22Å; E756-R758 VanDerWaalsContact OE1-CD 3.3Å; E756-R758 WeakPolarHBondContact OE1-CD 3.34Å; E756-R758 WeakPolarHBondContact OE1-CG 2.99Å; E756-R758 IonicContact OE1-NE 3.91Å; R758-W767 HydrophobicContact CB-CE3 4.01Å; R758-W767 HydrophobicContact CB-CZ3 3.94Å
759	L	93.3	Very high	86.5	Confident	43 Å²	43	52.2 Å²	52.2	23%	0.225	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.3	174.8	-61.4	177.9	0	0	0	109.1	Q695 L757 W767 R768 L770	Q695-L759 HydrophobicContact CB-CD2 3.82Å; L757-L759 HydrophobicContact CD1-CD2 3.92Å; L757-L759 HydrophobicContact CD2-CD2 3.94Å; L757-L759 HydrophobicContact CD2-CG 4.34Å; L757-L759 HydrophobicContact CG-CD2 3.85Å; L757-L759 HydrophobicContact CG-CG 4.11Å; L759-W767 CarbonylContact O-C 3.59Å; L759-W767 WeakPolarHBondContact O-CA 3.24Å; L759-R768 HydrophobicContact CB-CB 4.39Å; L759-R768 PolarHBondContact N-O 2.94Å; L759-R768 PolarHBondContact O-N 2.97Å; L759-L770 HydrophobicContact CD1-CD1 3.71Å; L759-L770 HydrophobicContact CD1-CG 4.39Å; L759-L770 HydrophobicContact CG-CD1 4.49Å
760	F	93.4	Very high	86.4	Confident	16 Å²	16	54 Å²	54	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.9	171.1	179.7	-130.8	0	0	0	109.2	G693 G694 V731 V734 M735 G762 W767	G693-F760 CarbonylContact C-O 3.56Å; G693-F760 WeakPolarHBondContact CA-O 3.37Å; G694-F760 PolarHBondContact N-O 3.02Å; G694-F760 PolarHBondContact O-N 3.48Å; V731-F760 HydrophobicContact CG1-CD1 4.39Å; V734-F760 HydrophobicContact CB-CE1 4.44Å; V734-F760 HydrophobicContact CG1-CD1 4.42Å; V734-F760 HydrophobicContact CG1-CE1 4.12Å; V734-F760 HydrophobicContact CG1-CZ 4.46Å; M735-F760 HydrophobicContact CE-CB 3.66Å; M735-F760 HydrophobicContact CE-CD1 3.57Å; M735-F760 HydrophobicContact CE-CE1 4.44Å; M735-F760 HydrophobicContact CE-CG 3.87Å; M735-F760 HydrophobicContact SD-CB 4.39Å; F760-G762 VanDerWaalsContact CZ-CA 3.46Å; F760-G762 PolarHBondContact O-N 3.23Å; F760-W767 HydrophobicContact CB-CD2 4.16Å; F760-W767 HydrophobicContact CB-CE3 3.96Å; F760-W767 HydrophobicContact CB-CH2 3.59Å; F760-W767 HydrophobicContact CB-CZ2 3.78Å; F760-W767 HydrophobicContact CB-CZ3 3.69Å; F760-W767 AromaticContact CD2-CD2 3.95Å; F760-W767 HydrophobicContact CD2-CD2 3.95Å; F760-W767 AromaticContact CD2-CE2 3.37Å; F760-W767 HydrophobicContact CD2-CG 4.35Å; F760-W767 HydrophobicContact CD2-CH2 4.29Å; F760-W767 AromaticContact CD2-CZ2 3.56Å; F760-W767 HydrophobicContact CD2-CZ2 3.56Å; F760-W767 AromaticContact CD2-NE1 3.46Å; F760-W767 HydrophobicContact CE2-CZ2 4.23Å; F760-W767 AromaticContact CE2-NE1 3.74Å; F760-W767 HydrophobicContact CG-CD2 4.47Å; F760-W767 AromaticContact CG-CE2 3.96Å; F760-W767 HydrophobicContact CG-CH2 4.05Å; F760-W767 AromaticContact CG-CZ2 3.72Å; F760-W767 HydrophobicContact CG-CZ2 3.72Å
761	D	89.5	Confident	86	Confident	30 Å²	30	56.1 Å²	56.1	16%	0.16	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	90.2	161.1	-175.5	16.7	0	0	0	108.4	K763 S764 S765 Q766	D761-K763 PolarHBondContact O-N 2.89Å; D761-K763 WeakPolarHBondContact OD1-CA 3.36Å; D761-K763 WeakPolarHBondContact OD1-CB 3.36Å; D761-K763 WeakPolarHBondContact OD1-CG 3.14Å; D761-K763 PolarHBondContact OD1-N 2.98Å; D761-S764 WeakPolarHBondContact CB-OG 3.08Å; D761-S764 VanDerWaalsContact CG-OG 3.26Å; D761-S764 PolarHBondContact O-N 3.17Å; D761-S764 VanDerWaalsContact O-N 3.12Å; D761-S764 WeakPolarHBondContact OD2-CB 3.35Å; D761-S764 PolarHBondContact OD2-N 3.28Å; D761-S764 PolarHBondContact OD2-OG 2.83Å; D761-S765 CarbonylContact O-C 3.5Å; D761-S765 WeakPolarHBondContact O-CA 3.33Å; D761-S765 PolarHBondContact O-N 3.18Å; D761-Q766 PolarHBondContact N-O 3.38Å; D761-Q766 PolarHBondContact O-N 3.33Å
762	G	84.4	Confident	85.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	12.8	170	0	0	0	0	0	112.3	F692 F760 R811	F692-G762 WeakPolarHBondContact CD1-O 3.3Å; F692-G762 WeakPolarHBondContact O-CA 3.27Å; F692-G762 PolarHBondContact O-N 3.29Å; F760-G762 VanDerWaalsContact CZ-CA 3.46Å; F760-G762 PolarHBondContact O-N 3.23Å; G762-R811 WeakPolarHBondContact O-CD 3.39Å; G762-R811 PolarHBondContact O-NE 3.45Å; G762-R811 PolarHBondContact O-NH1 3.03Å
763	K	83.3	Confident	85.6	Confident	20 Å²	20	57.3 Å²	57.3	9%	0.087	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-43.2	171.1	-53.2	-152.9	103.3	-99.6	0	113.3	F692 D761 P810 R811 E812 L814	F692-K763 HydrophobicContact CB-CD 3.52Å; F692-K763 HydrophobicContact CB-CG 3.5Å; F692-K763 HydrophobicContact CD1-CD 4.14Å; F692-K763 VanDerWaalsContact CD1-CE 3.49Å; F692-K763 HydrophobicContact CD1-CG 4.06Å; F692-K763 HydrophobicContact CD2-CD 3.75Å; F692-K763 HydrophobicContact CE2-CD 4.39Å; F692-K763 VanDerWaalsContact CE2-NZ 3.25Å; F692-K763 HydrophobicContact CG-CD 3.56Å; F692-K763 HydrophobicContact CG-CG 3.84Å; D761-K763 PolarHBondContact O-N 2.89Å; D761-K763 WeakPolarHBondContact OD1-CA 3.36Å; D761-K763 WeakPolarHBondContact OD1-CB 3.36Å; D761-K763 WeakPolarHBondContact OD1-CG 3.14Å; D761-K763 PolarHBondContact OD1-N 2.98Å; K763-P810 HydrophobicContact CD-CB 3.39Å; K763-R811 VanDerWaalsContact CA-CG 3.47Å; K763-R811 HydrophobicContact CB-CB 3.57Å; K763-R811 HydrophobicContact CB-CG 4.37Å; K763-R811 HydrophobicContact CD-CB 4.29Å; K763-R811 VanDerWaalsContact CG-CA 3.5Å; K763-R811 HydrophobicContact CG-CB 3.63Å; K763-R811 WeakPolarHBondContact O-CA 3.44Å; K763-R811 WeakPolarHBondContact O-CD 3.36Å; K763-R811 WeakPolarHBondContact O-CG 3.12Å; K763-R811 PolarHBondContact O-NE 3.22Å; K763-R811 VanDerWaalsContact O-NE 3.14Å; K763-E812 IonicContact NZ-OE2 2.92Å; K763-E812 PolarHBondContact NZ-OE2 2.76Å; K763-L814 HydrophobicContact CB-CD1 3.37Å; K763-L814 WeakPolarHBondContact O-CB 3.04Å
764	S	87	Confident	85.8	Confident	24 Å²	24	60.5 Å²	60.5	17%	0.168	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.2	177	52.2	0	0	0	0	112.5	D761 Q766 L814	D761-S764 WeakPolarHBondContact CB-OG 3.08Å; D761-S764 VanDerWaalsContact CG-OG 3.26Å; D761-S764 PolarHBondContact O-N 3.17Å; D761-S764 VanDerWaalsContact O-N 3.12Å; D761-S764 WeakPolarHBondContact OD2-CB 3.35Å; D761-S764 PolarHBondContact OD2-N 3.28Å; D761-S764 PolarHBondContact OD2-OG 2.83Å; S764-Q766 PolarHBondContact O-N 3.47Å; S764-Q766 VanDerWaalsContact OG-CB 3.24Å; S764-Q766 WeakPolarHBondContact OG-CB 3.37Å; S764-Q766 WeakPolarHBondContact OG-CG 3.26Å; S764-Q766 PolarHBondContact OG-N 3.36Å; S764-L814 VanDerWaalsContact CB-CD2 3.42Å
765	S	83.7	Confident	86	Confident	63 Å²	63	60.7 Å²	60.7	44%	0.441	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	6	-161.6	-27	0	0	0	0	113.6	D761 R811	D761-S765 CarbonylContact O-C 3.5Å; D761-S765 WeakPolarHBondContact O-CA 3.33Å; D761-S765 PolarHBondContact O-N 3.18Å; S765-R811 PolarHBondContact OG-NH2 3.32Å
766	Q	84.6	Confident	85.9	Confident	81 Å²	81	67.2 Å²	67.2	38%	0.379	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	150.3	-172.9	-66.2	-176.4	-7.5	0	0	112	D761 S764	D761-Q766 PolarHBondContact N-O 3.38Å; D761-Q766 PolarHBondContact O-N 3.33Å; S764-Q766 PolarHBondContact O-N 3.47Å; S764-Q766 VanDerWaalsContact OG-CB 3.24Å; S764-Q766 WeakPolarHBondContact OG-CB 3.37Å; S764-Q766 WeakPolarHBondContact OG-CG 3.26Å; S764-Q766 PolarHBondContact OG-N 3.36Å
767	W	91.8	Very high	85.2	Confident	106 Å²	106	68.3 Å²	68.3	40%	0.402	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140.8	171.5	-71.4	85.8	0	0	0	109.6	V734 M735 L738 R758 L759 F760	V734-W767 HydrophobicContact CG1-CZ2 4.44Å; M735-W767 HydrophobicContact CE-CH2 3.57Å; M735-W767 HydrophobicContact CE-CZ2 4.11Å; M735-W767 HydrophobicContact CE-CZ3 4.47Å; M735-W767 HydrophobicContact SD-CH2 4.46Å; L738-W767 HydrophobicContact CD1-CH2 3.14Å; L738-W767 HydrophobicContact CD1-CZ2 3.33Å; L738-W767 HydrophobicContact CD1-CZ3 4.32Å; R758-W767 HydrophobicContact CB-CE3 4.01Å; R758-W767 HydrophobicContact CB-CZ3 3.94Å; L759-W767 CarbonylContact O-C 3.59Å; L759-W767 WeakPolarHBondContact O-CA 3.24Å; F760-W767 HydrophobicContact CB-CD2 4.16Å; F760-W767 HydrophobicContact CB-CE3 3.96Å; F760-W767 HydrophobicContact CB-CH2 3.59Å; F760-W767 HydrophobicContact CB-CZ2 3.78Å; F760-W767 HydrophobicContact CB-CZ3 3.69Å; F760-W767 AromaticContact CD2-CD2 3.95Å; F760-W767 HydrophobicContact CD2-CD2 3.95Å; F760-W767 AromaticContact CD2-CE2 3.37Å; F760-W767 HydrophobicContact CD2-CG 4.35Å; F760-W767 HydrophobicContact CD2-CH2 4.29Å; F760-W767 AromaticContact CD2-CZ2 3.56Å; F760-W767 HydrophobicContact CD2-CZ2 3.56Å; F760-W767 AromaticContact CD2-NE1 3.46Å; F760-W767 HydrophobicContact CE2-CZ2 4.23Å; F760-W767 AromaticContact CE2-NE1 3.74Å; F760-W767 HydrophobicContact CG-CD2 4.47Å; F760-W767 AromaticContact CG-CE2 3.96Å; F760-W767 HydrophobicContact CG-CH2 4.05Å; F760-W767 AromaticContact CG-CZ2 3.72Å; F760-W767 HydrophobicContact CG-CZ2 3.72Å
768	R	85.8	Confident	84.4	Confident	160 Å²	160	68.2 Å²	68.2	60%	0.604	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.5	168.5	-64.6	-177.7	-177.5	-177.9	0.1	108.6	L759	L759-R768 HydrophobicContact CB-CB 4.39Å; L759-R768 PolarHBondContact N-O 2.94Å; L759-R768 PolarHBondContact O-N 2.97Å
769	S	88.9	Confident	83.4	Confident	66 Å²	66	69.2 Å²	69.2	46%	0.462	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.9	171.6	-70.2	0	0	0	0	110.1	E756 L757	E756-S769 PolarHBondContact OE1-OG 2.67Å; E756-S769 WeakPolarHBondContact OE2-CB 3.31Å; E756-S769 PolarHBondContact OE2-OG 3.44Å; L757-S769 WeakPolarHBondContact O-CA 3.24Å
770	L	85.2	Confident	82.2	Confident	93 Å²	93	67.9 Å²	67.9	49%	0.487	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.6	172	-60.7	174.3	0	0	0	108.4	E756 L757 L759 L772	E756-L770 CarbonylContact C-O 3.52Å; E756-L770 WeakPolarHBondContact CA-O 3.44Å; L757-L770 HydrophobicContact CB-CB 4.34Å; L757-L770 HydrophobicContact CD2-CD1 4.18Å; L757-L770 PolarHBondContact N-O 2.83Å; L757-L770 PolarHBondContact O-N 3.09Å; L759-L770 HydrophobicContact CD1-CD1 3.71Å; L759-L770 HydrophobicContact CD1-CG 4.39Å; L759-L770 HydrophobicContact CG-CD1 4.49Å; L770-L772 PolarHBondContact O-N 3.06Å
771	A	82	Confident	80.5	Confident	91 Å²	91	69.3 Å²	69.3	75%	0.752	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	129.9	176.8	0	0	0	0	0	110.8
772	L	81.4	Confident	78.7	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.047	41%	0.408	C	S	.	.			trans	-85.6	146.1	173.7	-79.8	141.4	0	0	0	110.5	M697 Q705 L711 G755 L757 L770	M697-L772 HydrophobicContact CE-CD1 3.34Å; M697-L772 HydrophobicContact CE-CD2 3.95Å; M697-L772 HydrophobicContact CE-CG 4.3Å; M697-L772 HydrophobicContact CG-CD1 4.27Å; M697-L772 HydrophobicContact SD-CD1 4.13Å; Q705-L772 CarbonylContact O-C 3.56Å; Q705-L772 PolarHBondContact OE1-O 3.16Å; L711-L772 HydrophobicContact CB-CD2 3.76Å; L711-L772 HydrophobicContact CD1-CD2 3.88Å; L711-L772 HydrophobicContact CD2-CD2 3.87Å; L711-L772 HydrophobicContact CG-CD2 4.04Å; G755-L772 WeakPolarHBondContact O-CB 3.44Å; G755-L772 PolarHBondContact O-N 3.33Å; L757-L772 HydrophobicContact CB-CD1 4.29Å; L770-L772 PolarHBondContact O-N 3.06Å
773	R	78	Confident	77	Confident	220 Å²	220	74.6 Å²	74.6	83%	0.83	44%	0.444	S	S	*	.			trans	-128.1	143	167	-70	-172.1	178.1	-174	0.5	109.1	Q705 A775	Q705-R773 CarbonylContact O-C 3.51Å; Q705-R773 WeakPolarHBondContact O-CA 3.32Å; Q705-R773 PolarHBondContact O-N 3.02Å; R773-A775 PolarHBondContact O-N 2.87Å
774	R	82.1	Confident	75.1	Confident	125 Å²	125	77.3 Å²	77.3	47%	0.472	46%	0.456	S	S	.	.			trans	-59.2	125.1	173.7	-174.1	176.3	-178.5	177.6	5.2	109.8	Q705	Q705-R774 PolarHBondContact O-N 2.99Å; Q705-R774 VanDerWaalsContact O-N 3.09Å
775	A	80.6	Confident	73	Confident	37 Å²	37	79.8 Å²	79.8	31%	0.306	47%	0.471	S	S	.	.			trans	-70.8	132	173.1	0	0	0	0	0	109.7	C710 R773 G777 C778	C710-A775 HydrophobicContact CB-CB 3.99Å; R773-A775 PolarHBondContact O-N 2.87Å; A775-G777 PolarHBondContact O-N 2.97Å; A775-G777 VanDerWaalsContact O-N 3.1Å; A775-C778 HydrophobicContact CB-CB 4.41Å; A775-C778 PolarHBondContact O-N 2.8Å
776	S	75.2	Confident	71	Confident	141 Å²	141	77.6 Å²	77.6	99%	0.986	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.6	-175.6	51.8	0	0	0	0	114.4
777	G	74.3	Confident	69.1	Low	68 Å²	68	80 Å²	80	70%	0.701	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	17.6	179.8	0	0	0	0	0	115.2	A775 P779	A775-G777 PolarHBondContact O-N 2.97Å; A775-G777 VanDerWaalsContact O-N 3.1Å; G777-P779 WeakPolarHBondContact O-CD 3.38Å
778	C	74.1	Confident	67.1	Low	10 Å²	10	79.4 Å²	79.4	7%	0.068	47%	0.467	C	S	.	.			trans	-65	120.7	-177.4	177.9	0	0	0	0	111.3	C710 A775 C780 A781	C710-C778 WeakPolarHBondContact SG-CB 3.39Å; A775-C778 HydrophobicContact CB-CB 4.41Å; A775-C778 PolarHBondContact O-N 2.8Å; C778-C780 PolarHBondContact O-N 3.05Å; C778-A781 WeakPolarHBondContact O-CB 3.18Å; C778-A781 PolarHBondContact O-N 3.21Å
779	P	72.4	Confident	65.3	Low	51 Å²	51	72.5 Å²	72.5	33%	0.331	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-64.9	-25.5	-176.7	23.6	-32.3	0	0	0	113.3	G777 A781 A782 L789	G777-P779 WeakPolarHBondContact O-CD 3.38Å; P779-A781 PolarHBondContact O-N 3.06Å; P779-A782 PolarHBondContact O-N 3.3Å; P779-L789 HydrophobicContact CB-CD1 4.44Å; P779-L789 HydrophobicContact CB-CD2 3.88Å; P779-L789 HydrophobicContact CB-CG 4.29Å; P779-L789 HydrophobicContact CG-CD2 3.9Å
780	C	69.1	Low	63.3	Low	14 Å²	14	73.2 Å²	73.2	10%	0.095	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-65.2	-18.1	173	-50.5	0	0	0	0	113.6	V678 R709 C778 A782	V678-C780 HydrophobicContact CB-CB 4.4Å; V678-C780 HydrophobicContact CG1-CB 3.91Å; V678-C780 HydrophobicContact CG2-CB 4.47Å; R709-C780 PolarHBondContact NE-SG 2.93Å; R709-C780 PolarHBondContact NH2-SG 2.99Å; C778-C780 PolarHBondContact O-N 3.05Å; C780-A782 PolarHBondContact O-N 2.71Å
781	A	57.5	Low	61.5	Low	46 Å²	46	75.3 Å²	75.3	38%	0.38	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-68.9	-20.2	-177.9	0	0	0	0	0	113.8	C778 P779	C778-A781 WeakPolarHBondContact O-CB 3.18Å; C778-A781 PolarHBondContact O-N 3.21Å; P779-A781 PolarHBondContact O-N 3.06Å
782	A	51.2	Low	60	Low	70 Å²	70	76 Å²	76	58%	0.579	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-94.3	5.2	-169.4	0	0	0	0	0	114.2	P779 C780 Q784	P779-A782 PolarHBondContact O-N 3.3Å; C780-A782 PolarHBondContact O-N 2.71Å; A782-Q784 HydrophobicContact CB-CG 4.04Å; A782-Q784 PolarHBondContact O-N 3.36Å; A782-Q784 VanDerWaalsContact O-N 3.16Å
783	G	48.1	Very low	58.3	Low	72 Å²	72	78.2 Å²	78.2	74%	0.742	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	19	-174.8	0	0	0	0	0	113.6
784	Q	43.9	Very low	56.8	Low	76 Å²	76	74.3 Å²	74.3	36%	0.355	44%	0.443	S	S	.	.			trans	-70.8	140.6	179	-77.2	-177.2	-20.7	0	0	110.7	A782	A782-Q784 HydrophobicContact CB-CG 4.04Å; A782-Q784 PolarHBondContact O-N 3.36Å; A782-Q784 VanDerWaalsContact O-N 3.16Å
785	T	43.7	Very low	55	Low	76 Å²	76	76.8 Å²	76.8	47%	0.466	46%	0.46	S	S	.	.			trans	-68	147.1	-177.6	59.2	0	0	0	0	110.5	H787 E788 L789	T785-H787 PolarHBondContact O-N 3.36Å; T785-E788 PolarHBondContact N-OE2 2.91Å; T785-E788 VanDerWaalsContact N-OE2 3.12Å; T785-E788 PolarHBondContact O-N 2.58Å; T785-E788 WeakPolarHBondContact OG1-CG 3.4Å; T785-E788 PolarHBondContact OG1-OE2 3.33Å; T785-L789 PolarHBondContact O-N 3.27Å
786	V	40.7	Very low	53.4	Low	18 Å²	18	84.9 Å²	84.9	11%	0.109	48%	0.482	C	S	.	.	H	α-helix	trans	-51.4	-32.7	178.2	-178.6	0	0	0	0	112.1	A675 L789 L790	A675-V786 HydrophobicContact CB-CG2 4.14Å; V786-L789 PolarHBondContact O-N 3.47Å; V786-L790 HydrophobicContact CG1-CD1 3.95Å; V786-L790 HydrophobicContact CG1-CG 4.34Å; V786-L790 VanDerWaalsContact O-CG 3.32Å; V786-L790 WeakPolarHBondContact O-CG 3.42Å; V786-L790 PolarHBondContact O-N 2.99Å
787	H	45.8	Very low	51.5	Low	130 Å²	130	85.6 Å²	85.6	60%	0.602	47%	0.47	S	S	*	.	H	α-helix	trans	-66.4	-44.4	-179.9	-152.1	59	0	0	0	112.5	T785 L789 L790 E791	T785-H787 PolarHBondContact O-N 3.36Å; H787-L789 VanDerWaalsContact C-N 3.28Å; H787-L789 PolarHBondContact O-N 2.59Å; H787-L790 PolarHBondContact O-N 2.87Å; H787-E791 PolarHBondContact O-N 3.08Å
788	E	49.9	Very low	49.5	Very low	94 Å²	94	87.4 Å²	87.4	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-66.1	-33.6	176.1	-67.5	167.1	139.4	0	0	111.9	T785 Q792	T785-E788 PolarHBondContact N-OE2 2.91Å; T785-E788 VanDerWaalsContact N-OE2 3.12Å; T785-E788 PolarHBondContact O-N 2.58Å; T785-E788 WeakPolarHBondContact OG1-CG 3.4Å; T785-E788 PolarHBondContact OG1-OE2 3.33Å; E788-Q792 PolarHBondContact O-N 2.98Å
789	L	47.6	Very low	47.5	Very low	16 Å²	16	90.3 Å²	90.3	8%	0.084	51%	0.51	C	S	.	.	H	α-helix	trans	-68.9	-37	177.3	-115.7	144.6	0	0	0	112.1	P779 T785 V786 H787 L793	P779-L789 HydrophobicContact CB-CD1 4.44Å; P779-L789 HydrophobicContact CB-CD2 3.88Å; P779-L789 HydrophobicContact CB-CG 4.29Å; P779-L789 HydrophobicContact CG-CD2 3.9Å; T785-L789 PolarHBondContact O-N 3.27Å; V786-L789 PolarHBondContact O-N 3.47Å; H787-L789 VanDerWaalsContact C-N 3.28Å; H787-L789 PolarHBondContact O-N 2.59Å; L789-L793 WeakPolarHBondContact O-CD1 3.08Å; L789-L793 VanDerWaalsContact O-CG 3.29Å; L789-L793 WeakPolarHBondContact O-CG 3.23Å; L789-L793 PolarHBondContact O-N 3.12Å
790	L	46.4	Very low	45.5	Very low	80 Å²	80	92.6 Å²	92.6	42%	0.419	53%	0.533	S	S	.	.	H	α-helix	trans	-71.8	-40.5	177.7	-72.5	168.9	0	0	0	112.5	V786 H787 Q792 L793	V786-L790 HydrophobicContact CG1-CD1 3.95Å; V786-L790 HydrophobicContact CG1-CG 4.34Å; V786-L790 VanDerWaalsContact O-CG 3.32Å; V786-L790 WeakPolarHBondContact O-CG 3.42Å; V786-L790 PolarHBondContact O-N 2.99Å; H787-L790 PolarHBondContact O-N 2.87Å; L790-Q792 PolarHBondContact O-N 3.36Å; L790-L793 PolarHBondContact O-N 3.34Å
791	E	48.2	Very low	43.3	Very low	137 Å²	137	95.3 Å²	95.3	64%	0.64	56%	0.557	S	S	*	*	H	α-helix	trans	-65	-35.3	177.6	-85.2	-171.5	153.7	0	0	113.2	H787 L793	H787-E791 PolarHBondContact O-N 3.08Å; E791-L793 VanDerWaalsContact C-N 3.33Å
792	Q	50	Low	41.9	Very low	106 Å²	106	101.3 Å²	101.3	50%	0.495	58%	0.581	S	S	.	*	H	α-helix	trans	-74.5	-23	177.8	-71.4	-170.8	10.3	0	0	113.5	E788 L790 D794	E788-Q792 PolarHBondContact O-N 2.98Å; L790-Q792 PolarHBondContact O-N 3.36Å; Q792-D794 VanDerWaalsContact C-N 3.35Å
793	L	45.4	Very low	41	Very low	55 Å²	55	102 Å²	102	29%	0.288	59%	0.587	S	S	.	*	H	α-helix	trans	-71	-30.3	179.1	-79.7	164.3	0	0	0	112.3	L789 L790 E791 Q795	L789-L793 WeakPolarHBondContact O-CD1 3.08Å; L789-L793 VanDerWaalsContact O-CG 3.29Å; L789-L793 WeakPolarHBondContact O-CG 3.23Å; L789-L793 PolarHBondContact O-N 3.12Å; L790-L793 PolarHBondContact O-N 3.34Å; E791-L793 VanDerWaalsContact C-N 3.33Å; L793-Q795 VanDerWaalsContact C-N 3.28Å; L793-Q795 PolarHBondContact O-N 3.04Å
794	D	46.2	Very low	40.1	Very low	138 Å²	138	106.3 Å²	106.3	74%	0.738	59%	0.592	S	S	*	*	H	α-helix	trans	-70.8	-23.3	-179	-137.2	12.8	0	0	0	112.7	Q792	Q792-D794 VanDerWaalsContact C-N 3.35Å
795	Q	44.5	Very low	39.3	Very low	178 Å²	178	106.3 Å²	106.3	83%	0.832	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-14.5	-178.8	-69	-168.2	-0.9	0	0	115.1	L793	L793-Q795 VanDerWaalsContact C-N 3.28Å; L793-Q795 PolarHBondContact O-N 3.04Å
796	R	46.5	Very low	38.7	Very low	207 Å²	207	109.6 Å²	109.6	78%	0.781	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	-8.3	-173.5	-73	-171.7	-176.9	174.7	4.8	115.5	A798	R796-A798 PolarHBondContact O-N 3.03Å
797	Q	37.1	Very low	38.2	Very low	155 Å²	155	115.5 Å²	115.5	72%	0.724	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	6.9	-173	-80.4	-167.7	-9.3	0	0	117
798	A	31.5	Very low	37.4	Very low	106 Å²	106	114.7 Å²	114.7	88%	0.876	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	0.9	-174.1	0	0	0	0	0	116.8	R796	R796-A798 PolarHBondContact O-N 3.03Å
799	G	31.3	Very low	36.5	Very low	72 Å²	72	113.8 Å²	113.8	74%	0.742	63%	0.63	S	S	*	*	S	Bend	trans	-119.1	-31.6	-155	0	0	0	0	0	122.3
800	A	30.6	Very low	35.9	Very low	98 Å²	98	115.3 Å²	115.3	81%	0.81	64%	0.641	S	S	*	*			trans	-152.8	106.1	-166.6	0	0	0	0	0	113.9
801	A	24.3	Very low	35.1	Very low	71 Å²	71	115.4 Å²	115.4	59%	0.587	64%	0.636	S	S	*	*			trans	-130.8	155.9	166.5	0	0	0	0	0	108.2
802	L	27.8	Very low	34.4	Very low	172 Å²	172	114.8 Å²	114.8	90%	0.901	63%	0.633	S	S	*	*			trans	94.4	102.2	-178.2	-75	88.1	0	0	0	116.5
803	A	30.7	Very low	33.8	Very low	85 Å²	85	114.8 Å²	114.8	70%	0.702	63%	0.633	S	S	*	*				162.4	114.1	105	0	0	0	0	0	114.1
804	I	30.1	Very low	33.3	Very low	163 Å²	163	115.8 Å²	115.8	84%	0.836	64%	0.638	S	S	*	*			trans	74.8	104.2	139.9	-52	162.5	0	0	0	115.7
805	N	28.2	Very low	32.6	Very low	76 Å²	76	116 Å²	116	41%	0.406	64%	0.638	S	S	.	*			cis	68.5	133.2	30.3	-135.6	-2.9	0	0	0	116	E719	E719-N805 PolarHBondContact OE2-ND2 3.28Å; E719-N805 VanDerWaalsContact OE2-ND2 3.11Å
806	Q	30.6	Very low	32.2	Very low	145 Å²	145	114.7 Å²	114.7	68%	0.678	63%	0.633	S	S	*	*			trans	91.2	127.5	168.5	-56.7	-173.6	19.4	0	0	116
807	Q	30.1	Very low	31.7	Very low	142 Å²	142	107.7 Å²	107.7	66%	0.664	62%	0.624	S	S	*	*			cis	-163.4	129.2	26.5	-102.2	147.3	27.2	0	0	109.8
808	I	29.4	Very low	32	Very low	113 Å²	113	104.5 Å²	104.5	58%	0.579	62%	0.615	S	S	*	*			trans	-114.8	129.4	153.4	-67.4	177.5	0	0	0	106.7
809	V	30.4	Very low	33.1	Very low	74 Å²	74	103.8 Å²	103.8	45%	0.448	59%	0.594	S	S	.	*			trans	-100.7	157.2	-158.1	170.7	0	0	0	0	111.3
810	P	35.8	Very low	34.9	Very low	49 Å²	49	105.1 Å²	105.1	32%	0.318	58%	0.582	S	S	.	*			trans	-93.1	153.6	-152.6	-3.1	27.1	0	0	0	123.4	K763 E812 Q813 L814	K763-P810 HydrophobicContact CD-CB 3.39Å; P810-E812 PolarHBondContact O-N 3.14Å; P810-Q813 CarbonylContact O-C 3.58Å; P810-Q813 WeakPolarHBondContact O-CA 3.19Å; P810-Q813 WeakPolarHBondContact O-CB 3.28Å; P810-Q813 PolarHBondContact O-N 3.24Å; P810-L814 PolarHBondContact O-N 2.99Å
811	R	27.6	Very low	37.3	Very low	81 Å²	81	100.9 Å²	100.9	31%	0.306	55%	0.546	S	S	.	.	H	α-helix	trans	-63.5	-39.4	-166.5	-165.5	149.2	-114.8	175.2	-32	111.5	F692 G762 K763 S765 Q813 L814 L815	F692-R811 HydrophobicContact CD1-CB 3.62Å; F692-R811 HydrophobicContact CD1-CG 4.5Å; F692-R811 HydrophobicContact CE1-CB 3.51Å; F692-R811 HydrophobicContact CE1-CG 4.4Å; F692-R811 HydrophobicContact CZ-CB 4.34Å; G762-R811 WeakPolarHBondContact O-CD 3.39Å; G762-R811 PolarHBondContact O-NE 3.45Å; G762-R811 PolarHBondContact O-NH1 3.03Å; K763-R811 VanDerWaalsContact CA-CG 3.47Å; K763-R811 HydrophobicContact CB-CB 3.57Å; K763-R811 HydrophobicContact CB-CG 4.37Å; K763-R811 HydrophobicContact CD-CB 4.29Å; K763-R811 VanDerWaalsContact CG-CA 3.5Å; K763-R811 HydrophobicContact CG-CB 3.63Å; K763-R811 WeakPolarHBondContact O-CA 3.44Å; K763-R811 WeakPolarHBondContact O-CD 3.36Å; K763-R811 WeakPolarHBondContact O-CG 3.12Å; K763-R811 PolarHBondContact O-NE 3.22Å; K763-R811 VanDerWaalsContact O-NE 3.14Å; S765-R811 PolarHBondContact OG-NH2 3.32Å; R811-Q813 PolarHBondContact O-N 3.22Å; R811-L814 WeakPolarHBondContact O-CA 3.48Å; R811-L814 WeakPolarHBondContact O-CB 3.17Å; R811-L814 PolarHBondContact O-N 3.43Å; R811-L815 PolarHBondContact O-N 3.33Å
812	E	35.6	Very low	40.2	Very low	125 Å²	125	104 Å²	104	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-70.4	-10.7	173.1	-61.7	118.6	152.7	0	0	112.4	F692 K763 P810	F692-E812 VanDerWaalsContact CZ-CD 3.43Å; F692-E812 WeakPolarHBondContact CZ-OE1 3.46Å; F692-E812 WeakPolarHBondContact CZ-OE2 3.34Å; K763-E812 IonicContact NZ-OE2 2.92Å; K763-E812 PolarHBondContact NZ-OE2 2.76Å; P810-E812 PolarHBondContact O-N 3.14Å
813	Q	36.1	Very low	43.2	Very low	105 Å²	105	95.8 Å²	95.8	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-92.7	-11.5	161.6	-64.5	-174.4	-39.8	0	0	113.2	P810 R811 Q816	P810-Q813 CarbonylContact O-C 3.58Å; P810-Q813 WeakPolarHBondContact O-CA 3.19Å; P810-Q813 WeakPolarHBondContact O-CB 3.28Å; P810-Q813 PolarHBondContact O-N 3.24Å; R811-Q813 PolarHBondContact O-N 3.22Å; Q813-Q816 PolarHBondContact O-N 3.49Å
814	L	34.3	Very low	45.9	Very low	76 Å²	76	93.8 Å²	93.8	40%	0.398	48%	0.483	S	S	.	.	H	α-helix	trans	-89.3	-7.7	178.3	-87.1	134.6	0	0	0	114.5	K763 S764 P810 R811	K763-L814 HydrophobicContact CB-CD1 3.37Å; K763-L814 WeakPolarHBondContact O-CB 3.04Å; S764-L814 VanDerWaalsContact CB-CD2 3.42Å; P810-L814 PolarHBondContact O-N 2.99Å; R811-L814 WeakPolarHBondContact O-CA 3.48Å; R811-L814 WeakPolarHBondContact O-CB 3.17Å; R811-L814 PolarHBondContact O-N 3.43Å
815	L	32.5	Very low	48.6	Very low	142 Å²	142	91.4 Å²	91.4	74%	0.743	47%	0.472	S	S	*	.	S	Bend	trans	-93.8	-7	157.6	-75	168.9	0	0	0	113.3	R811 G817	R811-L815 PolarHBondContact O-N 3.33Å; L815-G817 PolarHBondContact O-N 3.19Å
816	Q	35.8	Very low	51.4	Low	152 Å²	152	90.6 Å²	90.6	71%	0.71	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	12.1	173.3	-70.5	-177.5	-26.2	0	0	112.7	Q813	Q813-Q816 PolarHBondContact O-N 3.49Å
817	G	35.2	Very low	54	Low	59 Å²	59	87 Å²	87	61%	0.608	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	7.4	-179.1	0	0	0	0	0	115.3	L815 E819	L815-G817 PolarHBondContact O-N 3.19Å; G817-E819 PolarHBondContact O-N 2.78Å
818	V	44.7	Very low	56.7	Low	88 Å²	88	80.4 Å²	80.4	53%	0.533	42%	0.422	S	S	.	.			trans	-68.8	103.7	169.9	-173.2	0	0	0	0	106.8	M820	V818-M820 PolarHBondContact O-N 3.38Å; V818-M820 VanDerWaalsContact O-N 3.13Å
819	E	55.2	Low	59.2	Low	91 Å²	91	80 Å²	80	43%	0.425	42%	0.421	S	S	.	.			trans	-59.7	115.6	179.4	-138	-176.3	162.8	0	0	108	G817 L821 H831 I1051	G817-E819 PolarHBondContact O-N 2.78Å; E819-L821 PolarHBondContact O-N 3.23Å; E819-H831 PolarHBondContact O-NE2 3.38Å; E819-I1051 HydrophobicContact CG-CD1 3.73Å; E819-I1051 WeakPolarHBondContact OE1-CD1 3.27Å
820	M	69	Low	61.8	Low	101 Å²	101	77.1 Å²	77.1	50%	0.498	40%	0.404	S	S	.	.			trans	-58.3	127.3	178.1	-62.4	178.3	-79.8	0	0	109.4	V818 R822 T827 F828 I1051	V818-M820 PolarHBondContact O-N 3.38Å; V818-M820 VanDerWaalsContact O-N 3.13Å; M820-R822 PolarHBondContact O-N 2.87Å; M820-R822 VanDerWaalsContact O-N 3.12Å; M820-T827 HydrophobicContact CB-CG2 3.21Å; M820-T827 HydrophobicContact CE-CG2 4.1Å; M820-T827 HydrophobicContact CG-CG2 3.97Å; M820-T827 HydrophobicContact SD-CG2 3.6Å; M820-T827 VanDerWaalsContact SD-CG2 3.6Å; M820-F828 CarbonylContact C-O 3.51Å; M820-F828 WeakPolarHBondContact CA-O 3.03Å; M820-I1051 VanDerWaalsContact O-CD1 3.29Å; M820-I1051 WeakPolarHBondContact O-CD1 3.43Å
821	L	80.6	Confident	64.2	Low	8 Å²	8	75.9 Å²	75.9	4%	0.042	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	111.8	179.2	174.4	58.6	0	0	0	110.1	E819 I823 T827 F828 F833 P996 D1018 A1019	E819-L821 PolarHBondContact O-N 3.23Å; L821-I823 HydrophobicContact CD1-CG1 4.34Å; L821-I823 HydrophobicContact CD2-CD1 4.43Å; L821-I823 HydrophobicContact CG-CD1 4.48Å; L821-I823 HydrophobicContact CG-CG1 4.32Å; L821-T827 CarbonylContact O-C 3.52Å; L821-T827 WeakPolarHBondContact O-CA 3.03Å; L821-F828 HydrophobicContact CB-CB 4.31Å; L821-F828 HydrophobicContact CG-CD2 4.48Å; L821-F828 PolarHBondContact N-O 3.08Å; L821-F828 WeakPolarHBondContact O-CD2 3.35Å; L821-F828 PolarHBondContact O-N 3.44Å; L821-F833 HydrophobicContact CD2-CE1 3.97Å; L821-F833 HydrophobicContact CD2-CE2 3.92Å; L821-F833 HydrophobicContact CD2-CZ 3.28Å; L821-F833 HydrophobicContact CG-CZ 4.23Å; L821-P996 HydrophobicContact CD1-CB 4.08Å; L821-P996 HydrophobicContact CD1-CG 4.25Å; L821-D1018 HydrophobicContact CD1-CB 3.91Å; L821-A1019 HydrophobicContact CD2-CB 3.52Å
822	R	85.8	Confident	67.2	Low	137 Å²	137	72.1 Å²	72.1	52%	0.517	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.7	176.6	-175.4	-178.9	177.2	177.1	0.9	110.7	M820 A824 K826 P996 I1051	M820-R822 PolarHBondContact O-N 2.87Å; M820-R822 VanDerWaalsContact O-N 3.12Å; R822-A824 PolarHBondContact NE-O 3.31Å; R822-K826 WeakPolarHBondContact CA-O 2.97Å; R822-P996 WeakPolarHBondContact O-CG 3.16Å; R822-I1051 HydrophobicContact CB-CD1 4.4Å; R822-I1051 HydrophobicContact CB-CG2 3.79Å; R822-I1051 HydrophobicContact CG-CG2 4.32Å
823	I	88.8	Confident	70	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.2	168.6	-58.6	176.2	0	0	0	107.1	L821 D825 K826 F828 F833 L856 W912 L946 A965 A966 P996 V998	L821-I823 HydrophobicContact CD1-CG1 4.34Å; L821-I823 HydrophobicContact CD2-CD1 4.43Å; L821-I823 HydrophobicContact CG-CD1 4.48Å; L821-I823 HydrophobicContact CG-CG1 4.32Å; I823-D825 PolarHBondContact O-N 3.41Å; I823-K826 PolarHBondContact N-O 3.26Å; I823-K826 PolarHBondContact O-N 3.43Å; I823-K826 VanDerWaalsContact O-O 3.05Å; I823-F828 HydrophobicContact CB-CE2 4.07Å; I823-F828 HydrophobicContact CD1-CE2 4.24Å; I823-F828 HydrophobicContact CG1-CE2 4.31Å; I823-F833 HydrophobicContact CD1-CE2 3.37Å; I823-F833 HydrophobicContact CD1-CZ 3.44Å; I823-F833 VanDerWaalsContact CD1-CZ 3.44Å; I823-L856 HydrophobicContact CD1-CD2 4.47Å; I823-W912 HydrophobicContact CB-CH2 3.82Å; I823-W912 HydrophobicContact CB-CZ3 4.17Å; I823-W912 HydrophobicContact CG2-CH2 3.69Å; I823-W912 HydrophobicContact CG2-CZ3 3.73Å; I823-W912 WeakPolarHBondContact O-CH2 3.43Å; I823-W912 WeakPolarHBondContact O-CZ2 3.44Å; I823-L946 HydrophobicContact CD1-CD2 4.43Å; I823-L946 HydrophobicContact CG2-CD1 4.3Å; I823-L946 HydrophobicContact CG2-CD2 4.38Å; I823-A965 HydrophobicContact CG2-CB 3.81Å; I823-A966 HydrophobicContact CD1-CB 4.4Å; I823-A966 HydrophobicContact CG2-CB 4.3Å; I823-P996 HydrophobicContact CG1-CB 4.14Å; I823-P996 HydrophobicContact CG1-CG 3.99Å; I823-V998 HydrophobicContact CD1-CG2 4.44Å
824	A	88.3	Confident	72.6	Confident	43 Å²	43	61.3 Å²	61.3	36%	0.355	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	-117.4	-175	0	0	0	0	0	114	R822 W912 V944 A965	R822-A824 PolarHBondContact NE-O 3.31Å; A824-W912 HydrophobicContact CB-CH2 4.38Å; A824-W912 HydrophobicContact CB-CZ2 3.98Å; A824-V944 HydrophobicContact CB-CG1 3.49Å; A824-V944 VanDerWaalsContact CB-CG1 3.49Å; A824-V944 HydrophobicContact CB-CG2 4.15Å; A824-A965 HydrophobicContact CB-CB 3.86Å
825	D	87.3	Confident	75.2	Confident	112 Å²	112	57.7 Å²	57.7	60%	0.599	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	1	-177.3	64	-52.7	0	0	0	114	I823 W912	I823-D825 PolarHBondContact O-N 3.41Å; D825-W912 VanDerWaalsContact OD1-CZ2 3.27Å; D825-W912 WeakPolarHBondContact OD1-CZ2 2.99Å; D825-W912 PolarHBondContact OD1-NE1 3.12Å
826	K	86.3	Confident	77.7	Confident	59 Å²	59	51.2 Å²	51.2	26%	0.257	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150	-176.4	-64.1	-176	175.9	-172.4	0	112.9	R822 I823 F828 T883 W912	R822-K826 WeakPolarHBondContact CA-O 2.97Å; I823-K826 PolarHBondContact N-O 3.26Å; I823-K826 PolarHBondContact O-N 3.43Å; I823-K826 VanDerWaalsContact O-O 3.05Å; K826-F828 HydrophobicContact CB-CE1 4.19Å; K826-F828 HydrophobicContact CB-CE2 4.23Å; K826-F828 HydrophobicContact CB-CZ 3.77Å; K826-F828 HydrophobicContact CD-CZ 4.41Å; K826-T883 HydrophobicContact CD-CG2 3.68Å; K826-T883 WeakPolarHBondContact CD-OG1 3.4Å; K826-T883 PolarHBondContact NZ-OG1 3.39Å; K826-W912 HydrophobicContact CB-CH2 3.91Å; K826-W912 HydrophobicContact CB-CZ2 3.67Å; K826-W912 HydrophobicContact CD-CH2 4.27Å; K826-W912 HydrophobicContact CD-CZ2 3.67Å; K826-W912 HydrophobicContact CG-CH2 4.3Å; K826-W912 HydrophobicContact CG-CZ2 3.6Å
827	T	85.8	Confident	79.7	Confident	69 Å²	69	44.8 Å²	44.8	42%	0.423	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.5	-179.9	-58.8	0	0	0	0	108.3	M820 L821	M820-T827 HydrophobicContact CB-CG2 3.21Å; M820-T827 HydrophobicContact CE-CG2 4.1Å; M820-T827 HydrophobicContact CG-CG2 3.97Å; M820-T827 HydrophobicContact SD-CG2 3.6Å; M820-T827 VanDerWaalsContact SD-CG2 3.6Å; L821-T827 CarbonylContact O-C 3.52Å; L821-T827 WeakPolarHBondContact O-CA 3.03Å
828	F	86.8	Confident	81.7	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.8	-175.4	-52.9	-65.9	0	0	0	109.1	M820 L821 I823 K826 F833 Q855 L856 W912	M820-F828 CarbonylContact C-O 3.51Å; M820-F828 WeakPolarHBondContact CA-O 3.03Å; L821-F828 HydrophobicContact CB-CB 4.31Å; L821-F828 HydrophobicContact CG-CD2 4.48Å; L821-F828 PolarHBondContact N-O 3.08Å; L821-F828 WeakPolarHBondContact O-CD2 3.35Å; L821-F828 PolarHBondContact O-N 3.44Å; I823-F828 HydrophobicContact CB-CE2 4.07Å; I823-F828 HydrophobicContact CD1-CE2 4.24Å; I823-F828 HydrophobicContact CG1-CE2 4.31Å; K826-F828 HydrophobicContact CB-CE1 4.19Å; K826-F828 HydrophobicContact CB-CE2 4.23Å; K826-F828 HydrophobicContact CB-CZ 3.77Å; K826-F828 HydrophobicContact CD-CZ 4.41Å; F828-F833 HydrophobicContact CB-CE1 4.38Å; F828-F833 AromaticContact CD2-CE1 3.89Å; F828-F833 HydrophobicContact CD2-CE1 3.89Å; F828-F833 AromaticContact CD2-CZ 3.83Å; F828-F833 HydrophobicContact CD2-CZ 3.83Å; F828-F833 HydrophobicContact CE2-CE1 4.33Å; F828-F833 HydrophobicContact CE2-CZ 4.15Å; F828-F833 HydrophobicContact CG-CE1 4.09Å; F828-F833 HydrophobicContact CG-CZ 4.46Å; F828-Q855 VanDerWaalsContact CA-OE1 3.25Å; F828-Q855 HydrophobicContact CB-CB 4.47Å; F828-Q855 HydrophobicContact CD1-CB 3.39Å; F828-Q855 HydrophobicContact CE1-CB 4.02Å; F828-Q855 HydrophobicContact CG-CB 4.34Å; F828-L856 HydrophobicContact CE1-CB 3.92Å; F828-L856 HydrophobicContact CE2-CB 4.38Å; F828-L856 HydrophobicContact CE2-CD2 4.16Å; F828-L856 HydrophobicContact CZ-CB 3.84Å; F828-L856 HydrophobicContact CZ-CD1 4Å; F828-L856 HydrophobicContact CZ-CD2 4.11Å; F828-L856 HydrophobicContact CZ-CG 4.21Å; F828-W912 HydrophobicContact CE2-CH2 4.08Å; F828-W912 HydrophobicContact CE2-CZ3 4.34Å; F828-W912 HydrophobicContact CZ-CH2 4Å; F828-W912 HydrophobicContact CZ-CZ3 4.19Å
829	D	81.7	Confident	83.1	Confident	106 Å²	106	43.4 Å²	43.4	57%	0.567	22%	0.222	S	C	*	.	S	Bend	trans	-75	-16	169.6	-49.3	-56.3	0	0	0	111.4	Q855	D829-Q855 PolarHBondContact OD2-NE2 3.46Å
830	S	84	Confident	83.8	Confident	13 Å²	13	40.4 Å²	40.4	9%	0.091	21%	0.212	C	C	.	.			trans	-104.4	131.2	179.2	180	0	0	0	0	112.9	L832 G853 Q855	S830-L832 VanDerWaalsContact C-N 3.28Å; S830-L832 PolarHBondContact OG-N 2.9Å; S830-L832 PolarHBondContact OG-O 3.47Å; S830-G853 WeakPolarHBondContact CB-O 3.29Å; S830-G853 PolarHBondContact OG-O 2.93Å; S830-Q855 VanDerWaalsContact N-OE1 3.09Å
831	H	87.8	Confident	84	Confident	23 Å²	23	37.7 Å²	37.7	11%	0.106	20%	0.203	C	C	.	.	S	Bend	trans	-88.5	7.1	167.6	-63	-90.7	0	0	0	112.8	E819 L1013 D1018 A1019 V1020	E819-H831 PolarHBondContact O-NE2 3.38Å; H831-L1013 HydrophobicContact CB-CD2 4.31Å; H831-D1018 PolarHBondContact ND1-O 2.97Å; H831-A1019 CarbonylContact O-C 3.5Å; H831-A1019 WeakPolarHBondContact O-CA 3.34Å; H831-A1019 WeakPolarHBondContact O-CB 3.47Å; H831-V1020 PolarHBondContact O-N 2.81Å
832	L	90.6	Very high	83.7	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.2	176.2	175	64.2	0	0	0	109.1	S830 S854 V1020 V1022 I1026 F1039 R1040	S830-L832 VanDerWaalsContact C-N 3.28Å; S830-L832 PolarHBondContact OG-N 2.9Å; S830-L832 PolarHBondContact OG-O 3.47Å; L832-S854 WeakPolarHBondContact O-CA 3.42Å; L832-S854 WeakPolarHBondContact O-CB 3.37Å; L832-S854 PolarHBondContact O-OG 3.1Å; L832-V1020 HydrophobicContact CD1-CG2 3.8Å; L832-V1022 HydrophobicContact CD1-CB 4Å; L832-V1022 HydrophobicContact CD1-CG2 3.97Å; L832-I1026 HydrophobicContact CD1-CD1 4.36Å; L832-I1026 HydrophobicContact CD2-CD1 4.27Å; L832-F1039 HydrophobicContact CD1-CB 4.08Å; L832-F1039 HydrophobicContact CD2-CB 3.55Å; L832-F1039 HydrophobicContact CG-CB 4.48Å; L832-R1040 HydrophobicContact CD2-CB 4.39Å
833	F	93.2	Very high	83.1	Confident	1 Å²	1	36 Å²	36	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	154.9	172.3	-58.4	-32.6	0	0	0	111.5	L821 I823 F828 L856 V998 A1019 V1020 L1021 V1022	L821-F833 HydrophobicContact CD2-CE1 3.97Å; L821-F833 HydrophobicContact CD2-CE2 3.92Å; L821-F833 HydrophobicContact CD2-CZ 3.28Å; L821-F833 HydrophobicContact CG-CZ 4.23Å; I823-F833 HydrophobicContact CD1-CE2 3.37Å; I823-F833 HydrophobicContact CD1-CZ 3.44Å; I823-F833 VanDerWaalsContact CD1-CZ 3.44Å; F828-F833 HydrophobicContact CB-CE1 4.38Å; F828-F833 AromaticContact CD2-CE1 3.89Å; F828-F833 HydrophobicContact CD2-CE1 3.89Å; F828-F833 AromaticContact CD2-CZ 3.83Å; F828-F833 HydrophobicContact CD2-CZ 3.83Å; F828-F833 HydrophobicContact CE2-CE1 4.33Å; F828-F833 HydrophobicContact CE2-CZ 4.15Å; F828-F833 HydrophobicContact CG-CE1 4.09Å; F828-F833 HydrophobicContact CG-CZ 4.46Å; F833-L856 HydrophobicContact CD1-CB 3.63Å; F833-L856 HydrophobicContact CD1-CD2 4.26Å; F833-L856 HydrophobicContact CD1-CG 4.46Å; F833-L856 HydrophobicContact CD2-CD2 4.03Å; F833-L856 HydrophobicContact CE1-CB 3.78Å; F833-L856 HydrophobicContact CE1-CD2 4.12Å; F833-L856 HydrophobicContact CE2-CD2 3.89Å; F833-L856 HydrophobicContact CG-CB 4.16Å; F833-L856 HydrophobicContact CG-CD2 4.2Å; F833-L856 HydrophobicContact CZ-CB 4.42Å; F833-L856 HydrophobicContact CZ-CD2 3.92Å; F833-V998 HydrophobicContact CD2-CG1 3.94Å; F833-V998 HydrophobicContact CD2-CG2 4.06Å; F833-V998 HydrophobicContact CE2-CG1 4.47Å; F833-V998 HydrophobicContact CE2-CG2 3.77Å; F833-A1019 HydrophobicContact CD2-CB 4.01Å; F833-A1019 HydrophobicContact CE2-CB 3.75Å; F833-A1019 HydrophobicContact CZ-CB 4.22Å; F833-V1020 PolarHBondContact N-O 3.18Å; F833-L1021 HydrophobicContact CB-CB 4.33Å; F833-L1021 HydrophobicContact CB-CD1 4.19Å; F833-L1021 HydrophobicContact CB-CG 4.16Å; F833-L1021 WeakPolarHBondContact O-CA 3.26Å; F833-V1022 PolarHBondContact O-N 3.23Å
834	T	91.3	Very high	82.4	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	179.3	-172.6	59.7	0	0	0	0	110.7	S854 L856 V857 T858 I1026	T834-S854 PolarHBondContact N-OG 3.42Å; T834-S854 VanDerWaalsContact OG1-CB 3.32Å; T834-S854 WeakPolarHBondContact OG1-CB 3.48Å; T834-S854 PolarHBondContact OG1-OG 2.81Å; T834-L856 PolarHBondContact N-O 2.78Å; T834-V857 WeakPolarHBondContact O-CA 3.5Å; T834-T858 PolarHBondContact O-N 2.83Å; T834-I1026 HydrophobicContact CG2-CD1 3.65Å
835	G	89.1	Confident	82.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-172.5	175.6	0	0	0	0	0	112.9	F839 T858 N1023	G835-F839 WeakPolarHBondContact O-CE2 3.47Å; G835-T858 CarbonylContact C-O 3.54Å; G835-T858 VanDerWaalsContact CA-O 3.3Å; G835-T858 WeakPolarHBondContact CA-O 3.11Å; G835-N1023 WeakPolarHBondContact CA-OD1 3.4Å; G835-N1023 PolarHBondContact N-OD1 3.11Å; G835-N1023 PolarHBondContact O-OD1 2.87Å
836	T	85.5	Confident	82.2	Confident	6 Å²	6	29.6 Å²	29.6	4%	0.037	16%	0.164	C	C	.	.	S	Bend	trans	-106.4	-3	169.5	64.3	0	0	0	0	111.6	M845 V857 T858 L859 L877	T836-M845 WeakPolarHBondContact CB-SD 3.39Å; T836-M845 HydrophobicContact CG2-CE 4.41Å; T836-M845 HydrophobicContact CG2-CG 4.24Å; T836-M845 HydrophobicContact CG2-SD 3.39Å; T836-M845 WeakPolarHBondContact CG2-SD 3.34Å; T836-V857 HydrophobicContact CG2-CG1 3.62Å; T836-T858 WeakPolarHBondContact CG2-O 3.4Å; T836-T858 PolarHBondContact N-O 3Å; T836-T858 PolarHBondContact OG1-O 3.25Å; T836-L859 HydrophobicContact CG2-CB 4.28Å; T836-L859 HydrophobicContact CG2-CD1 4.06Å; T836-L859 WeakPolarHBondContact OG1-CA 3.29Å; T836-L877 HydrophobicContact CG2-CD1 3.83Å
837	G	77.1	Confident	82	Confident	18 Å²	18	28.8 Å²	28.8	19%	0.186	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	139.6	178.5	0	0	0	0	0	111.1	F839 N1023 A1027	G837-F839 WeakPolarHBondContact O-CD2 3.39Å; G837-F839 PolarHBondContact O-N 2.85Å; G837-F839 VanDerWaalsContact O-N 3.17Å; G837-N1023 PolarHBondContact O-ND2 2.89Å; G837-A1027 WeakPolarHBondContact O-CB 3.09Å
838	K	78.1	Confident	82	Confident	97 Å²	97	25.5 Å²	25.5	42%	0.422	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	9.1	172.5	-49.4	179.5	178.1	177.5	0	115.3	I202 T1024 A1027 V1028	I202-K838 WeakPolarHBondContact CD1-O 3.19Å; K838-T1024 HydrophobicContact CD-CG2 4.22Å; K838-T1024 PolarHBondContact NZ-OG1 3.34Å; K838-A1027 HydrophobicContact CB-CB 3.76Å; K838-V1028 HydrophobicContact CB-CG1 4.49Å; K838-V1028 HydrophobicContact CD-CG1 3.76Å
839	F	73.5	Confident	82	Confident	21 Å²	21	25.4 Å²	25.4	9%	0.092	14%	0.141	C	C	.	.			trans	-87.2	166.7	169.5	-69	-82.8	0	0	0	112.8	G835 G837 M845 A848 N1023 I1026 A1027 P1032	G835-F839 WeakPolarHBondContact O-CE2 3.47Å; G837-F839 WeakPolarHBondContact O-CD2 3.39Å; G837-F839 PolarHBondContact O-N 2.85Å; G837-F839 VanDerWaalsContact O-N 3.17Å; F839-M845 HydrophobicContact CB-CB 3.63Å; F839-M845 HydrophobicContact CB-CG 4.16Å; F839-M845 HydrophobicContact CD1-CB 4.26Å; F839-M845 HydrophobicContact CD2-CB 4.29Å; F839-M845 HydrophobicContact CD2-CG 4.03Å; F839-M845 HydrophobicContact CG-CB 3.81Å; F839-M845 HydrophobicContact CG-CG 4.07Å; F839-A848 HydrophobicContact CD1-CB 4.22Å; F839-A848 HydrophobicContact CE1-CB 3.38Å; F839-A848 HydrophobicContact CZ-CB 4.08Å; F839-N1023 VanDerWaalsContact CE2-OD1 3.3Å; F839-N1023 WeakPolarHBondContact CE2-OD1 3.2Å; F839-I1026 HydrophobicContact CE1-CG2 4.37Å; F839-I1026 HydrophobicContact CZ-CG2 4.16Å; F839-A1027 HydrophobicContact CD1-CB 4.43Å; F839-A1027 HydrophobicContact CD2-CB 4.19Å; F839-A1027 HydrophobicContact CE1-CB 4.21Å; F839-A1027 HydrophobicContact CE2-CB 3.95Å; F839-A1027 HydrophobicContact CG-CB 4.42Å; F839-A1027 HydrophobicContact CZ-CB 3.99Å; F839-P1032 HydrophobicContact CD1-CB 4.5Å; F839-P1032 HydrophobicContact CE1-CB 4.01Å
840	A	70.4	Confident	82.2	Confident	27 Å²	27	27.5 Å²	27.5	22%	0.223	14%	0.141	C	C	.	.	S	Bend	trans	-79.4	-46.3	-162	0	0	0	0	0	114.7	D201 I202 L844	D201-A840 HydrophobicContact CB-CB 3.94Å; D201-A840 WeakPolarHBondContact O-CB 3.42Å; I202-A840 HydrophobicContact CB-CB 3.27Å; I202-A840 HydrophobicContact CG2-CB 3.02Å; A840-L844 HydrophobicContact CB-CB 4.19Å; A840-L844 HydrophobicContact CB-CD2 4.4Å
841	S	72.5	Confident	82.3	Confident	44 Å²	44	27.5 Å²	27.5	31%	0.308	14%	0.142	S	C	.	.	S	Bend	trans	-168.6	138.1	-141.7	68.9	0	0	0	0	99.5	Q843 L844 M845	S841-Q843 PolarHBondContact O-N 3.46Å; S841-Q843 VanDerWaalsContact O-N 3.16Å; S841-L844 PolarHBondContact O-N 2.76Å; S841-L844 WeakPolarHBondContact OG-CB 3.46Å; S841-L844 PolarHBondContact OG-N 3.02Å; S841-M845 WeakPolarHBondContact O-CB 3.04Å; S841-M845 PolarHBondContact O-N 3.49Å
842	S	73.1	Confident	82.3	Confident	33 Å²	33	26.4 Å²	26.4	23%	0.231	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-26.3	174.3	47.9	0	0	0	0	111.5	V846 A872	S842-V846 VanDerWaalsContact O-CB 3.23Å; S842-V846 WeakPolarHBondContact O-CB 3.47Å; S842-V846 WeakPolarHBondContact O-CG2 3.24Å; S842-V846 PolarHBondContact O-N 3.1Å; S842-A872 WeakPolarHBondContact CB-O 3.25Å; S842-A872 PolarHBondContact OG-O 3Å
843	Q	73.5	Confident	82.1	Confident	78 Å²	78	27.1 Å²	27.1	36%	0.364	15%	0.145	S	C	.	.	H	α-helix	trans	-66.8	-55.8	173.8	-159.7	140.1	-4.2	0	0	113	L81 S841 M845 V846 E847	L81-Q843 HydrophobicContact CD2-CB 4.49Å; L81-Q843 HydrophobicContact CD2-CG 3.96Å; S841-Q843 PolarHBondContact O-N 3.46Å; S841-Q843 VanDerWaalsContact O-N 3.16Å; Q843-M845 VanDerWaalsContact C-N 3.33Å; Q843-M845 PolarHBondContact O-N 2.8Å; Q843-V846 CarbonylContact O-C 3.46Å; Q843-V846 WeakPolarHBondContact O-CA 3.47Å; Q843-V846 WeakPolarHBondContact O-CB 3.47Å; Q843-V846 PolarHBondContact O-N 3.32Å; Q843-E847 WeakPolarHBondContact O-CG 3.49Å; Q843-E847 PolarHBondContact O-N 3.14Å
844	L	75.7	Confident	82	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-68	-36.5	-179.4	-166.5	79.1	0	0	0	112.1	I134 I202 A840 S841 V846 E847 A848 P1032 V1033	I134-L844 HydrophobicContact CB-CD1 4.14Å; I134-L844 HydrophobicContact CG1-CD1 4.45Å; I134-L844 HydrophobicContact CG2-CD1 3.97Å; I202-L844 HydrophobicContact CG2-CD2 3.05Å; I202-L844 HydrophobicContact CG2-CG 4.32Å; A840-L844 HydrophobicContact CB-CB 4.19Å; A840-L844 HydrophobicContact CB-CD2 4.4Å; S841-L844 PolarHBondContact O-N 2.76Å; S841-L844 WeakPolarHBondContact OG-CB 3.46Å; S841-L844 PolarHBondContact OG-N 3.02Å; L844-V846 VanDerWaalsContact C-N 3.34Å; L844-E847 PolarHBondContact O-N 3.12Å; L844-A848 WeakPolarHBondContact O-CB 3.41Å; L844-A848 PolarHBondContact O-N 3.19Å; L844-P1032 HydrophobicContact CD2-CB 4.46Å; L844-P1032 HydrophobicContact CD2-CG 4.03Å; L844-V1033 HydrophobicContact CD1-CG2 4.04Å
845	M	86.8	Confident	81.9	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-53.2	-53.8	168.1	178.4	-173.8	73.4	0	0	110.2	T836 F839 S841 Q843 E847 A848 I849 I873 L877	T836-M845 WeakPolarHBondContact CB-SD 3.39Å; T836-M845 HydrophobicContact CG2-CE 4.41Å; T836-M845 HydrophobicContact CG2-CG 4.24Å; T836-M845 HydrophobicContact CG2-SD 3.39Å; T836-M845 WeakPolarHBondContact CG2-SD 3.34Å; F839-M845 HydrophobicContact CB-CB 3.63Å; F839-M845 HydrophobicContact CB-CG 4.16Å; F839-M845 HydrophobicContact CD1-CB 4.26Å; F839-M845 HydrophobicContact CD2-CB 4.29Å; F839-M845 HydrophobicContact CD2-CG 4.03Å; F839-M845 HydrophobicContact CG-CB 3.81Å; F839-M845 HydrophobicContact CG-CG 4.07Å; S841-M845 WeakPolarHBondContact O-CB 3.04Å; S841-M845 PolarHBondContact O-N 3.49Å; Q843-M845 VanDerWaalsContact C-N 3.33Å; Q843-M845 PolarHBondContact O-N 2.8Å; M845-E847 VanDerWaalsContact C-N 3.26Å; M845-E847 PolarHBondContact O-N 2.83Å; M845-A848 PolarHBondContact O-N 3.11Å; M845-I849 HydrophobicContact CG-CD1 3.59Å; M845-I849 WeakPolarHBondContact O-CB 3.44Å; M845-I849 WeakPolarHBondContact O-CD1 3.37Å; M845-I849 WeakPolarHBondContact O-CG1 3.32Å; M845-I849 PolarHBondContact O-N 2.95Å; M845-I873 HydrophobicContact CE-CG2 3.96Å; M845-I873 HydrophobicContact SD-CG2 4.37Å; M845-L877 HydrophobicContact CE-CD1 3.85Å; M845-L877 HydrophobicContact CE-CD2 3.83Å; M845-L877 HydrophobicContact CE-CG 3.74Å
846	V	83.2	Confident	82.1	Confident	12 Å²	12	29.9 Å²	29.9	7%	0.073	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-35.7	177.3	164.6	0	0	0	0	111.7	S842 Q843 L844 R850 P876 L877 A880	S842-V846 VanDerWaalsContact O-CB 3.23Å; S842-V846 WeakPolarHBondContact O-CB 3.47Å; S842-V846 WeakPolarHBondContact O-CG2 3.24Å; S842-V846 PolarHBondContact O-N 3.1Å; Q843-V846 CarbonylContact O-C 3.46Å; Q843-V846 WeakPolarHBondContact O-CA 3.47Å; Q843-V846 WeakPolarHBondContact O-CB 3.47Å; Q843-V846 PolarHBondContact O-N 3.32Å; L844-V846 VanDerWaalsContact C-N 3.34Å; V846-R850 WeakPolarHBondContact O-CB 3.46Å; V846-R850 VanDerWaalsContact O-CG 3.23Å; V846-R850 WeakPolarHBondContact O-CG 3.4Å; V846-R850 PolarHBondContact O-N 3.32Å; V846-P876 HydrophobicContact CG2-CB 3.79Å; V846-L877 HydrophobicContact CG2-CD2 4.24Å; V846-A880 HydrophobicContact CG1-CB 3.79Å; V846-A880 HydrophobicContact CG2-CB 4.2Å
847	E	83	Confident	82.3	Confident	42 Å²	42	29.6 Å²	29.6	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-72.4	-45.6	178.1	-70.5	-174.4	147.7	0	0	114	Q135 Q843 L844 M845 I849 R850 A851 V1033	Q135-E847 PolarHBondContact NE2-OE1 3.13Å; Q135-E847 PolarHBondContact OE1-OE1 3.48Å; Q843-E847 WeakPolarHBondContact O-CG 3.49Å; Q843-E847 PolarHBondContact O-N 3.14Å; L844-E847 PolarHBondContact O-N 3.12Å; M845-E847 VanDerWaalsContact C-N 3.26Å; M845-E847 PolarHBondContact O-N 2.83Å; E847-I849 VanDerWaalsContact C-N 3.33Å; E847-R850 CarbonylContact O-C 3.53Å; E847-R850 WeakPolarHBondContact O-CB 3.5Å; E847-R850 PolarHBondContact O-N 3.28Å; E847-A851 VanDerWaalsContact O-CB 3.32Å; E847-A851 WeakPolarHBondContact O-CB 3.36Å; E847-A851 PolarHBondContact O-N 3.1Å; E847-V1033 HydrophobicContact CB-CG2 4Å
848	A	85.4	Confident	83	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-68.5	-36.3	178.1	0	0	0	0	0	111.5	F839 L844 M845 A851 S852 P1032 V1033 A1036	F839-A848 HydrophobicContact CD1-CB 4.22Å; F839-A848 HydrophobicContact CE1-CB 3.38Å; F839-A848 HydrophobicContact CZ-CB 4.08Å; L844-A848 WeakPolarHBondContact O-CB 3.41Å; L844-A848 PolarHBondContact O-N 3.19Å; M845-A848 PolarHBondContact O-N 3.11Å; A848-A851 PolarHBondContact O-N 3.47Å; A848-S852 WeakPolarHBondContact O-CB 3.41Å; A848-S852 PolarHBondContact O-N 3.03Å; A848-S852 PolarHBondContact O-OG 3.44Å; A848-P1032 HydrophobicContact CB-CB 4.07Å; A848-V1033 HydrophobicContact CB-CG2 4.27Å; A848-A1036 WeakPolarHBondContact O-CB 3.32Å
849	I	86.9	Confident	83.4	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-49.4	168.2	-72.2	164.5	0	0	0	110.1	M845 E847 A851 S852 S854 V857 L877 V882	M845-I849 HydrophobicContact CG-CD1 3.59Å; M845-I849 WeakPolarHBondContact O-CB 3.44Å; M845-I849 WeakPolarHBondContact O-CD1 3.37Å; M845-I849 WeakPolarHBondContact O-CG1 3.32Å; M845-I849 PolarHBondContact O-N 2.95Å; E847-I849 VanDerWaalsContact C-N 3.33Å; I849-A851 VanDerWaalsContact C-N 3.29Å; I849-A851 PolarHBondContact O-N 3.37Å; I849-S852 PolarHBondContact O-OG 3.38Å; I849-S854 PolarHBondContact O-N 3.26Å; I849-V857 HydrophobicContact CB-CG2 4.31Å; I849-V857 HydrophobicContact CD1-CB 4.22Å; I849-V857 HydrophobicContact CD1-CG1 3.44Å; I849-V857 VanDerWaalsContact CD1-CG1 3.44Å; I849-V857 HydrophobicContact CD1-CG2 3.76Å; I849-V857 HydrophobicContact CG1-CG1 4.09Å; I849-V857 HydrophobicContact CG1-CG2 3.81Å; I849-V857 HydrophobicContact CG2-CG2 3.52Å; I849-L877 HydrophobicContact CD1-CD2 3.64Å; I849-V882 HydrophobicContact CG2-CB 4.33Å; I849-V882 HydrophobicContact CG2-CG1 3.49Å; I849-V882 VanDerWaalsContact CG2-CG1 3.49Å; I849-V882 HydrophobicContact CG2-CG2 4.38Å
850	R	86.1	Confident	83.7	Confident	151 Å²	151	24.1 Å²	24.1	57%	0.57	13%	0.13	S	C	*	.	H	α-helix	trans	-60.3	-37.7	175.8	-78.6	174.5	-178.6	172	2.9	112.2	V846 E847 G853	V846-R850 WeakPolarHBondContact O-CB 3.46Å; V846-R850 VanDerWaalsContact O-CG 3.23Å; V846-R850 WeakPolarHBondContact O-CG 3.4Å; V846-R850 PolarHBondContact O-N 3.32Å; E847-R850 CarbonylContact O-C 3.53Å; E847-R850 WeakPolarHBondContact O-CB 3.5Å; E847-R850 PolarHBondContact O-N 3.28Å; R850-G853 PolarHBondContact O-N 3Å
851	A	85.2	Confident	83.8	Confident	12 Å²	12	23.4 Å²	23.4	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-76.5	-39.2	-175.2	0	0	0	0	0	114.2	E847 A848 I849 G853 V1033 A1036 K1037 R1040	E847-A851 VanDerWaalsContact O-CB 3.32Å; E847-A851 WeakPolarHBondContact O-CB 3.36Å; E847-A851 PolarHBondContact O-N 3.1Å; A848-A851 PolarHBondContact O-N 3.47Å; I849-A851 VanDerWaalsContact C-N 3.29Å; I849-A851 PolarHBondContact O-N 3.37Å; A851-G853 PolarHBondContact O-N 3.48Å; A851-G853 VanDerWaalsContact O-N 3.07Å; A851-V1033 HydrophobicContact CB-CB 4.43Å; A851-V1033 HydrophobicContact CB-CG1 3.66Å; A851-V1033 WeakPolarHBondContact CB-O 3.31Å; A851-A1036 HydrophobicContact CB-CB 4.26Å; A851-K1037 HydrophobicContact CB-CG 4.18Å; A851-R1040 WeakPolarHBondContact O-CD 3.34Å; A851-R1040 PolarHBondContact O-NH1 3.46Å
852	S	87.6	Confident	83.7	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-17.1	173.4	45.3	0	0	0	0	112.1	A848 I849 S854 A1036 R1040	A848-S852 WeakPolarHBondContact O-CB 3.41Å; A848-S852 PolarHBondContact O-N 3.03Å; A848-S852 PolarHBondContact O-OG 3.44Å; I849-S852 PolarHBondContact O-OG 3.38Å; S852-S854 PolarHBondContact O-N 3.43Å; S852-S854 WeakPolarHBondContact OG-CB 3.34Å; S852-S854 PolarHBondContact OG-N 3.11Å; S852-A1036 WeakPolarHBondContact CA-O 3.43Å; S852-R1040 WeakPolarHBondContact O-CG 3.34Å
853	G	87.9	Confident	83.3	Confident	17 Å²	17	33.7 Å²	33.7	18%	0.175	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	7.2	-165.6	0	0	0	0	0	111.8	S830 R850 A851 Q855	S830-G853 WeakPolarHBondContact CB-O 3.29Å; S830-G853 PolarHBondContact OG-O 2.93Å; R850-G853 PolarHBondContact O-N 3Å; A851-G853 PolarHBondContact O-N 3.48Å; A851-G853 VanDerWaalsContact O-N 3.07Å; G853-Q855 PolarHBondContact O-N 2.94Å
854	S	89.6	Confident	82.9	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.021	14%	0.142	C	C	.	.			trans	-64	118	-178.8	-179.4	0	0	0	0	110.1	L832 T834 I849 S852 L856	L832-S854 WeakPolarHBondContact O-CA 3.42Å; L832-S854 WeakPolarHBondContact O-CB 3.37Å; L832-S854 PolarHBondContact O-OG 3.1Å; T834-S854 PolarHBondContact N-OG 3.42Å; T834-S854 VanDerWaalsContact OG1-CB 3.32Å; T834-S854 WeakPolarHBondContact OG1-CB 3.48Å; T834-S854 PolarHBondContact OG1-OG 2.81Å; I849-S854 PolarHBondContact O-N 3.26Å; S852-S854 PolarHBondContact O-N 3.43Å; S852-S854 WeakPolarHBondContact OG-CB 3.34Å; S852-S854 PolarHBondContact OG-N 3.11Å; S854-L856 PolarHBondContact OG-O 2.88Å
855	Q	90.8	Very high	82.4	Confident	56 Å²	56	34.8 Å²	34.8	26%	0.262	16%	0.163	S	C	.	.			trans	-96.5	-6.7	177.4	-71.6	158.2	-60.3	0	0	112.1	F828 D829 S830 G853 T883	F828-Q855 VanDerWaalsContact CA-OE1 3.25Å; F828-Q855 HydrophobicContact CB-CB 4.47Å; F828-Q855 HydrophobicContact CD1-CB 3.39Å; F828-Q855 HydrophobicContact CE1-CB 4.02Å; F828-Q855 HydrophobicContact CG-CB 4.34Å; D829-Q855 PolarHBondContact OD2-NE2 3.46Å; S830-Q855 VanDerWaalsContact N-OE1 3.09Å; G853-Q855 PolarHBondContact O-N 2.94Å; Q855-T883 WeakPolarHBondContact O-CB 3.21Å; Q855-T883 PolarHBondContact O-N 3.36Å
856	L	91.9	Very high	81.2	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121	179.5	-175.2	64.1	0	0	0	110.4	I823 F828 F833 T834 S854 T883 L885 W912 L946	I823-L856 HydrophobicContact CD1-CD2 4.47Å; F828-L856 HydrophobicContact CE1-CB 3.92Å; F828-L856 HydrophobicContact CE2-CB 4.38Å; F828-L856 HydrophobicContact CE2-CD2 4.16Å; F828-L856 HydrophobicContact CZ-CB 3.84Å; F828-L856 HydrophobicContact CZ-CD1 4Å; F828-L856 HydrophobicContact CZ-CD2 4.11Å; F828-L856 HydrophobicContact CZ-CG 4.21Å; F833-L856 HydrophobicContact CD1-CB 3.63Å; F833-L856 HydrophobicContact CD1-CD2 4.26Å; F833-L856 HydrophobicContact CD1-CG 4.46Å; F833-L856 HydrophobicContact CD2-CD2 4.03Å; F833-L856 HydrophobicContact CE1-CB 3.78Å; F833-L856 HydrophobicContact CE1-CD2 4.12Å; F833-L856 HydrophobicContact CE2-CD2 3.89Å; F833-L856 HydrophobicContact CG-CB 4.16Å; F833-L856 HydrophobicContact CG-CD2 4.2Å; F833-L856 HydrophobicContact CZ-CB 4.42Å; F833-L856 HydrophobicContact CZ-CD2 3.92Å; T834-L856 PolarHBondContact N-O 2.78Å; S854-L856 PolarHBondContact OG-O 2.88Å; L856-T883 HydrophobicContact CD1-CG2 3.52Å; L856-L885 HydrophobicContact CD1-CB 3.86Å; L856-L885 HydrophobicContact CD1-CD2 4.37Å; L856-L885 HydrophobicContact CD2-CD2 4.14Å; L856-L885 HydrophobicContact CG-CB 4.34Å; L856-L885 HydrophobicContact CG-CD2 4.16Å; L856-W912 HydrophobicContact CD1-CE3 3.9Å; L856-W912 HydrophobicContact CD1-CZ3 3.97Å; L856-W912 HydrophobicContact CD2-CZ3 4.06Å; L856-L946 HydrophobicContact CD2-CD2 4.02Å
857	V	90.5	Very high	80.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.6	-169.3	-178.9	0	0	0	0	110.8	T834 T836 I849 V882 T883 L885	T834-V857 WeakPolarHBondContact O-CA 3.5Å; T836-V857 HydrophobicContact CG2-CG1 3.62Å; I849-V857 HydrophobicContact CB-CG2 4.31Å; I849-V857 HydrophobicContact CD1-CB 4.22Å; I849-V857 HydrophobicContact CD1-CG1 3.44Å; I849-V857 VanDerWaalsContact CD1-CG1 3.44Å; I849-V857 HydrophobicContact CD1-CG2 3.76Å; I849-V857 HydrophobicContact CG1-CG1 4.09Å; I849-V857 HydrophobicContact CG1-CG2 3.81Å; I849-V857 HydrophobicContact CG2-CG2 3.52Å; V857-V882 HydrophobicContact CG2-CB 4.1Å; V857-V882 HydrophobicContact CG2-CG1 4.45Å; V857-V882 HydrophobicContact CG2-CG2 4Å; V857-T883 PolarHBondContact N-O 3.39Å; V857-L885 WeakPolarHBondContact O-CB 3.31Å; V857-L885 PolarHBondContact O-N 3.32Å
858	T	91	Very high	78.8	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.9	178	-171.3	0	0	0	0	114.5	T834 G835 T836 L885 N887 K914	T834-T858 PolarHBondContact O-N 2.83Å; G835-T858 CarbonylContact C-O 3.54Å; G835-T858 VanDerWaalsContact CA-O 3.3Å; G835-T858 WeakPolarHBondContact CA-O 3.11Å; T836-T858 WeakPolarHBondContact CG2-O 3.4Å; T836-T858 PolarHBondContact N-O 3Å; T836-T858 PolarHBondContact OG1-O 3.25Å; T858-L885 CarbonylContact C-O 3.5Å; T858-L885 WeakPolarHBondContact CA-O 3.22Å; T858-L885 PolarHBondContact OG1-O 3.16Å; T858-N887 WeakPolarHBondContact OG1-CB 3.45Å; T858-N887 PolarHBondContact OG1-ND2 2.92Å; T858-K914 HydrophobicContact CG2-CD 4.11Å; T858-K914 WeakPolarHBondContact OG1-CD 3.25Å
859	L	86.2	Confident	77.2	Confident	0 Å²	0	64 Å²	64	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.8	-175.5	170.7	67.7	0	0	0	112.8	T836 M861 V864 I873 L885 P886 N887 L908	T836-L859 HydrophobicContact CG2-CB 4.28Å; T836-L859 HydrophobicContact CG2-CD1 4.06Å; T836-L859 WeakPolarHBondContact OG1-CA 3.29Å; L859-M861 PolarHBondContact O-N 3.04Å; L859-V864 HydrophobicContact CD1-CG2 4.32Å; L859-V864 HydrophobicContact CD2-CG2 3.86Å; L859-V864 HydrophobicContact CG-CG2 4.25Å; L859-I873 HydrophobicContact CD1-CD1 4.48Å; L859-I873 HydrophobicContact CD1-CG2 3.4Å; L859-I873 VanDerWaalsContact CD1-CG2 3.4Å; L859-L885 PolarHBondContact N-O 2.97Å; L859-P886 CarbonylContact O-C 3.6Å; L859-P886 WeakPolarHBondContact O-CA 3.42Å; L859-N887 VanDerWaalsContact C-ND2 3.34Å; L859-N887 PolarHBondContact O-N 3.2Å; L859-L908 HydrophobicContact CD2-CD1 3.83Å
860	A	80.9	Confident	75.4	Confident	13 Å²	13	70.3 Å²	70.3	11%	0.107	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.4	175.2	0	0	0	0	0	112.3	K862 R863 N887	A860-K862 PolarHBondContact O-N 2.92Å; A860-K862 VanDerWaalsContact O-N 3.14Å; A860-R863 HydrophobicContact CB-CG 4.21Å; A860-R863 WeakPolarHBondContact O-CB 3.4Å; A860-R863 PolarHBondContact O-N 2.92Å; A860-N887 VanDerWaalsContact CA-OD1 3.23Å; A860-N887 WeakPolarHBondContact CA-OD1 3.25Å; A860-N887 WeakPolarHBondContact CB-OD1 3.21Å; A860-N887 PolarHBondContact N-ND2 3.04Å
861	M	72.5	Confident	74.1	Confident	12 Å²	12	64 Å²	64	6%	0.059	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.9	-26	-177.1	-76.8	-53.5	-54.2	0	0	115.1	L859 R863 V864 P886 L903 A904 A907 L908	L859-M861 PolarHBondContact O-N 3.04Å; M861-R863 PolarHBondContact O-N 3.32Å; M861-V864 PolarHBondContact O-N 3.5Å; M861-P886 HydrophobicContact CG-CB 4.02Å; M861-P886 HydrophobicContact SD-CB 3.72Å; M861-L903 HydrophobicContact CE-CG 4.28Å; M861-A904 VanDerWaalsContact CE-CA 3.43Å; M861-A904 HydrophobicContact CE-CB 4.05Å; M861-A904 HydrophobicContact CG-CB 3.56Å; M861-A904 WeakPolarHBondContact SD-CA 3.46Å; M861-A904 HydrophobicContact SD-CB 3.35Å; M861-A904 WeakPolarHBondContact SD-CB 3.21Å; M861-A907 HydrophobicContact CE-CB 3.88Å; M861-L908 HydrophobicContact SD-CD1 3.9Å; M861-L908 HydrophobicContact SD-CG 4.37Å
862	K	69.3	Low	73	Confident	162 Å²	162	66.5 Å²	66.5	70%	0.704	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65.1	-0.8	175.3	-65.9	-178.5	-179.9	174.1	0	113.4	A860 G890	A860-K862 PolarHBondContact O-N 2.92Å; A860-K862 VanDerWaalsContact O-N 3.14Å; K862-G890 PolarHBondContact NZ-O 2.99Å
863	R	65.9	Low	72.2	Confident	130 Å²	130	68 Å²	68	49%	0.491	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-114.5	5.7	-175.1	-56.3	-176.7	176.9	-162.5	-7.2	114.7	A860 M861 I873	A860-R863 HydrophobicContact CB-CG 4.21Å; A860-R863 WeakPolarHBondContact O-CB 3.4Å; A860-R863 PolarHBondContact O-N 2.92Å; M861-R863 PolarHBondContact O-N 3.32Å; R863-I873 HydrophobicContact CB-CD1 3.77Å; R863-I873 WeakPolarHBondContact O-CD1 3.33Å
864	V	64.8	Low	71.6	Confident	20 Å²	20	68.4 Å²	68.4	12%	0.121	33%	0.328	C	S	.	.			trans	-110.5	127.7	-175.4	-177.6	0	0	0	0	109.2	L859 M861 L866 D871 L874 L908	L859-V864 HydrophobicContact CD1-CG2 4.32Å; L859-V864 HydrophobicContact CD2-CG2 3.86Å; L859-V864 HydrophobicContact CG-CG2 4.25Å; M861-V864 PolarHBondContact O-N 3.5Å; V864-L866 HydrophobicContact CG1-CD2 3.75Å; V864-D871 VanDerWaalsContact CA-OD2 3.3Å; V864-D871 WeakPolarHBondContact CA-OD2 3.4Å; V864-D871 WeakPolarHBondContact CG1-OD2 3.4Å; V864-L874 HydrophobicContact CG1-CD2 4.36Å; V864-L908 HydrophobicContact CG1-CD2 4.15Å
865	D	64.3	Low	70.9	Confident	84 Å²	84	73.8 Å²	73.8	45%	0.449	35%	0.353	S	S	.	.			trans	-101.1	113.1	176	-172.3	-5.9	0	0	0	110.6	R867 D871	D865-R867 PolarHBondContact OD1-N 3.01Å; D865-D871 PolarHBondContact N-OD2 2.71Å
866	L	63	Low	70.2	Confident	87 Å²	87	72.9 Å²	72.9	46%	0.455	35%	0.352	S	S	.	.	S	Bend	trans	-89.6	-6.7	-174.1	-55.3	172.3	0	0	0	113.6	V864 L903 A907	V864-L866 HydrophobicContact CG1-CD2 3.75Å; L866-L903 HydrophobicContact CD1-CD1 4.03Å; L866-L903 HydrophobicContact CD1-CG 4.44Å; L866-A907 HydrophobicContact CD1-CB 3.74Å; L866-A907 HydrophobicContact CD2-CB 3.29Å; L866-A907 HydrophobicContact CG-CB 4.14Å
867	R	61	Low	69.6	Low	237 Å²	237	72.8 Å²	72.8	89%	0.894	35%	0.351	S	S	*	.	S	Bend	trans	-98.7	-15.6	-172.2	-66.5	-176.9	-178.2	174.6	2.3	114.1	D865	D865-R867 PolarHBondContact OD1-N 3.01Å
868	Q	54.4	Low	69	Low	140 Å²	140	78.3 Å²	78.3	65%	0.654	38%	0.38	S	S	*	.	S	Bend	trans	-121.3	128.6	176.3	-63.7	-169.6	3.3	0	0	109.2	N870	Q868-N870 PolarHBondContact O-N 3.29Å
869	H	51.1	Low	68.3	Low	208 Å²	208	81.6 Å²	81.6	96%	0.963	41%	0.407	S	S	*	.	S	Bend	trans	-64.7	21.2	-179.9	-83.8	-66.6	0	0	0	114.5
870	N	49.6	Very low	67.8	Low	134 Å²	134	82.5 Å²	82.5	72%	0.717	42%	0.415	S	S	*	.			trans	-139	55.1	-170.5	-147.1	10.2	0	0	0	109.6	Q868	Q868-N870 PolarHBondContact O-N 3.29Å
871	D	58	Low	67.8	Low	20 Å²	20	85.3 Å²	85.3	11%	0.107	45%	0.445	C	S	.	.			trans	-83.6	121.4	178.9	-177.5	-31	0	0	0	110.8	V864 D865 I873 L874 E875	V864-D871 VanDerWaalsContact CA-OD2 3.3Å; V864-D871 WeakPolarHBondContact CA-OD2 3.4Å; V864-D871 WeakPolarHBondContact CG1-OD2 3.4Å; D865-D871 PolarHBondContact N-OD2 2.71Å; D871-I873 VanDerWaalsContact C-N 3.34Å; D871-I873 PolarHBondContact O-N 2.73Å; D871-I873 PolarHBondContact OD1-N 3.43Å; D871-L874 HydrophobicContact CB-CB 4.2Å; D871-L874 PolarHBondContact OD1-N 3.34Å; D871-E875 PolarHBondContact O-N 3.07Å
872	A	62	Low	68.5	Low	64 Å²	64	85.9 Å²	85.9	53%	0.529	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.2	-175.7	0	0	0	0	0	114.8	S842 P876	S842-A872 WeakPolarHBondContact CB-O 3.25Å; S842-A872 PolarHBondContact OG-O 3Å; A872-P876 VanDerWaalsContact O-CD 3.24Å; A872-P876 WeakPolarHBondContact O-CD 3.45Å; A872-P876 VanDerWaalsContact O-CG 3.24Å; A872-P876 WeakPolarHBondContact O-CG 3.39Å
873	I	72.2	Confident	69.4	Low	31 Å²	31	79.2 Å²	79.2	16%	0.159	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-38.3	-177.3	-59.4	179.7	0	0	0	110.7	M845 L859 R863 D871 L877	M845-I873 HydrophobicContact CE-CG2 3.96Å; M845-I873 HydrophobicContact SD-CG2 4.37Å; L859-I873 HydrophobicContact CD1-CD1 4.48Å; L859-I873 HydrophobicContact CD1-CG2 3.4Å; L859-I873 VanDerWaalsContact CD1-CG2 3.4Å; R863-I873 HydrophobicContact CB-CD1 3.77Å; R863-I873 WeakPolarHBondContact O-CD1 3.33Å; D871-I873 VanDerWaalsContact C-N 3.34Å; D871-I873 PolarHBondContact O-N 2.73Å; D871-I873 PolarHBondContact OD1-N 3.43Å; I873-L877 HydrophobicContact CG2-CD1 3.6Å; I873-L877 VanDerWaalsContact O-CD1 3.27Å; I873-L877 WeakPolarHBondContact O-CD1 3.39Å; I873-L877 WeakPolarHBondContact O-CG 3.47Å; I873-L877 PolarHBondContact O-N 3.06Å
874	L	75.1	Confident	70.5	Confident	26 Å²	26	74 Å²	74	14%	0.136	40%	0.404	C	S	.	.	H	α-helix	trans	-79.8	-47.9	-169.7	-170	59.6	0	0	0	113	V864 D871 L877 I878 L884 L908	V864-L874 HydrophobicContact CG1-CD2 4.36Å; D871-L874 HydrophobicContact CB-CB 4.2Å; D871-L874 PolarHBondContact OD1-N 3.34Å; L874-L877 PolarHBondContact O-N 3.37Å; L874-I878 HydrophobicContact CD1-CD1 4.02Å; L874-I878 HydrophobicContact CD1-CG1 4.3Å; L874-I878 HydrophobicContact CD2-CD1 4.5Å; L874-I878 HydrophobicContact CG-CD1 3.8Å; L874-I878 HydrophobicContact CG-CG1 4.48Å; L874-I878 VanDerWaalsContact O-CG1 3.27Å; L874-I878 WeakPolarHBondContact O-CG1 3.46Å; L874-I878 PolarHBondContact O-N 3.49Å; L874-L884 HydrophobicContact CD1-CD1 3.47Å; L874-L884 VanDerWaalsContact CD1-CD1 3.47Å; L874-L908 HydrophobicContact CD1-CD2 3.39Å; L874-L908 HydrophobicContact CD2-CD2 3.44Å; L874-L908 VanDerWaalsContact CD2-CD2 3.44Å; L874-L908 HydrophobicContact CG-CD2 4.03Å
875	E	73.3	Confident	71.8	Confident	115 Å²	115	73.1 Å²	73.1	54%	0.537	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-41.1	-179.2	-167.3	176.2	-174.9	0	0	112.1	D871 A879	D871-E875 PolarHBondContact O-N 3.07Å; E875-A879 WeakPolarHBondContact O-CB 3.47Å; E875-A879 PolarHBondContact O-N 3.07Å
876	P	76.3	Confident	73.1	Confident	37 Å²	37	69.1 Å²	69.1	24%	0.24	38%	0.377	C	S	.	.	H	α-helix	trans	-75	-33.2	178.6	-24.2	39.8	0	0	0	115.2	V846 A872 A879 A880	V846-P876 HydrophobicContact CG2-CB 3.79Å; A872-P876 VanDerWaalsContact O-CD 3.24Å; A872-P876 WeakPolarHBondContact O-CD 3.45Å; A872-P876 VanDerWaalsContact O-CG 3.24Å; A872-P876 WeakPolarHBondContact O-CG 3.39Å; P876-A879 CarbonylContact O-C 3.56Å; P876-A879 PolarHBondContact O-N 3.2Å; P876-A880 VanDerWaalsContact O-CB 3.31Å; P876-A880 WeakPolarHBondContact O-CB 3.45Å; P876-A880 PolarHBondContact O-N 3.02Å
877	L	79.5	Confident	74.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-71.3	-36.2	176.3	-69.5	168.4	0	0	0	111.5	T836 M845 V846 I849 I873 L874 A879 A880 G881 V882 L884	T836-L877 HydrophobicContact CG2-CD1 3.83Å; M845-L877 HydrophobicContact CE-CD1 3.85Å; M845-L877 HydrophobicContact CE-CD2 3.83Å; M845-L877 HydrophobicContact CE-CG 3.74Å; V846-L877 HydrophobicContact CG2-CD2 4.24Å; I849-L877 HydrophobicContact CD1-CD2 3.64Å; I873-L877 HydrophobicContact CG2-CD1 3.6Å; I873-L877 VanDerWaalsContact O-CD1 3.27Å; I873-L877 WeakPolarHBondContact O-CD1 3.39Å; I873-L877 WeakPolarHBondContact O-CG 3.47Å; I873-L877 PolarHBondContact O-N 3.06Å; L874-L877 PolarHBondContact O-N 3.37Å; L877-A879 VanDerWaalsContact C-N 3.33Å; L877-A880 PolarHBondContact O-N 2.92Å; L877-G881 PolarHBondContact O-N 2.88Å; L877-V882 HydrophobicContact CB-CG2 4.31Å; L877-V882 HydrophobicContact CD2-CG2 3.86Å; L877-L884 HydrophobicContact CB-CD2 3.54Å; L877-L884 HydrophobicContact CB-CG 4.41Å; L877-L884 HydrophobicContact CD1-CD2 3.37Å; L877-L884 HydrophobicContact CD2-CD2 4.43Å; L877-L884 HydrophobicContact CG-CD2 3.95Å
878	I	78.3	Confident	75.9	Confident	117 Å²	117	54.4 Å²	54.4	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-62	-44.4	169.4	-66.6	171	0	0	0	109.4	L874 A880 G881	L874-I878 HydrophobicContact CD1-CD1 4.02Å; L874-I878 HydrophobicContact CD1-CG1 4.3Å; L874-I878 HydrophobicContact CD2-CD1 4.5Å; L874-I878 HydrophobicContact CG-CD1 3.8Å; L874-I878 HydrophobicContact CG-CG1 4.48Å; L874-I878 VanDerWaalsContact O-CG1 3.27Å; L874-I878 WeakPolarHBondContact O-CG1 3.46Å; L874-I878 PolarHBondContact O-N 3.49Å; I878-A880 VanDerWaalsContact C-N 3.26Å; I878-A880 PolarHBondContact O-N 3.25Å; I878-G881 PolarHBondContact O-N 3.42Å
879	A	76	Confident	77.2	Confident	76 Å²	76	50 Å²	50	63%	0.628	30%	0.301	S	S	*	.	H	α-helix	trans	-67.5	-20.6	175.8	0	0	0	0	0	114.1	E875 P876 L877	E875-A879 WeakPolarHBondContact O-CB 3.47Å; E875-A879 PolarHBondContact O-N 3.07Å; P876-A879 CarbonylContact O-C 3.56Å; P876-A879 PolarHBondContact O-N 3.2Å; L877-A879 VanDerWaalsContact C-N 3.33Å
880	A	76.7	Confident	78.5	Confident	20 Å²	20	41.6 Å²	41.6	17%	0.165	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.6	178.2	0	0	0	0	0	114	V846 P876 L877 I878 V882	V846-A880 HydrophobicContact CG1-CB 3.79Å; V846-A880 HydrophobicContact CG2-CB 4.2Å; P876-A880 VanDerWaalsContact O-CB 3.31Å; P876-A880 WeakPolarHBondContact O-CB 3.45Å; P876-A880 PolarHBondContact O-N 3.02Å; L877-A880 PolarHBondContact O-N 2.92Å; I878-A880 VanDerWaalsContact C-N 3.26Å; I878-A880 PolarHBondContact O-N 3.25Å; A880-V882 HydrophobicContact CB-CG1 4.49Å; A880-V882 HydrophobicContact CB-CG2 4.45Å; A880-V882 PolarHBondContact O-N 3.08Å
881	G	81.4	Confident	80.3	Confident	71 Å²	71	35.4 Å²	35.4	73%	0.732	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	16.8	178.9	0	0	0	0	0	114.6	L877 I878	L877-G881 PolarHBondContact O-N 2.88Å; I878-G881 PolarHBondContact O-N 3.42Å
882	V	85.9	Confident	81.9	Confident	25 Å²	25	40.5 Å²	40.5	15%	0.152	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-86.9	154.8	178	-63.5	0	0	0	0	112	I849 V857 L877 A880 L884	I849-V882 HydrophobicContact CG2-CB 4.33Å; I849-V882 HydrophobicContact CG2-CG1 3.49Å; I849-V882 VanDerWaalsContact CG2-CG1 3.49Å; I849-V882 HydrophobicContact CG2-CG2 4.38Å; V857-V882 HydrophobicContact CG2-CB 4.1Å; V857-V882 HydrophobicContact CG2-CG1 4.45Å; V857-V882 HydrophobicContact CG2-CG2 4Å; L877-V882 HydrophobicContact CB-CG2 4.31Å; L877-V882 HydrophobicContact CD2-CG2 3.86Å; A880-V882 HydrophobicContact CB-CG1 4.49Å; A880-V882 HydrophobicContact CB-CG2 4.45Å; A880-V882 PolarHBondContact O-N 3.08Å; V882-L884 PolarHBondContact O-N 3.4Å
883	T	88.6	Confident	83.4	Confident	22 Å²	22	39.9 Å²	39.9	14%	0.135	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.2	171.1	-68.5	0	0	0	0	110.6	K826 Q855 L856 V857	K826-T883 HydrophobicContact CD-CG2 3.68Å; K826-T883 WeakPolarHBondContact CD-OG1 3.4Å; K826-T883 PolarHBondContact NZ-OG1 3.39Å; Q855-T883 WeakPolarHBondContact O-CB 3.21Å; Q855-T883 PolarHBondContact O-N 3.36Å; L856-T883 HydrophobicContact CD1-CG2 3.52Å; V857-T883 PolarHBondContact N-O 3.39Å
884	L	88.5	Confident	84.4	Confident	20 Å²	20	38.4 Å²	38.4	11%	0.105	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.4	172.4	-63.9	178.2	0	0	0	111.7	L874 L877 V882	L874-L884 HydrophobicContact CD1-CD1 3.47Å; L874-L884 VanDerWaalsContact CD1-CD1 3.47Å; L877-L884 HydrophobicContact CB-CD2 3.54Å; L877-L884 HydrophobicContact CB-CG 4.41Å; L877-L884 HydrophobicContact CD1-CD2 3.37Å; L877-L884 HydrophobicContact CD2-CD2 4.43Å; L877-L884 HydrophobicContact CG-CD2 3.95Å; V882-L884 PolarHBondContact O-N 3.4Å
885	L	92.1	Very high	85.3	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	79.4	174.5	-178.8	67	0	0	0	109.3	L856 V857 T858 L859 N887 W912 K914 L946	L856-L885 HydrophobicContact CD1-CB 3.86Å; L856-L885 HydrophobicContact CD1-CD2 4.37Å; L856-L885 HydrophobicContact CD2-CD2 4.14Å; L856-L885 HydrophobicContact CG-CB 4.34Å; L856-L885 HydrophobicContact CG-CD2 4.16Å; V857-L885 WeakPolarHBondContact O-CB 3.31Å; V857-L885 PolarHBondContact O-N 3.32Å; T858-L885 CarbonylContact C-O 3.5Å; T858-L885 WeakPolarHBondContact CA-O 3.22Å; T858-L885 PolarHBondContact OG1-O 3.16Å; L859-L885 PolarHBondContact N-O 2.97Å; L885-N887 PolarHBondContact O-N 3.34Å; L885-W912 HydrophobicContact CD1-CB 4Å; L885-W912 HydrophobicContact CD1-CE3 4.15Å; L885-K914 HydrophobicContact CD1-CB 4.29Å; L885-K914 HydrophobicContact CD2-CB 3.74Å; L885-K914 HydrophobicContact CG-CB 3.69Å; L885-L946 HydrophobicContact CD1-CD1 4.12Å; L885-L946 HydrophobicContact CD2-CD2 4.02Å
886	P	91.7	Very high	86.2	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	143.6	176.7	22.5	-35.2	0	0	0	111	L859 M861 A904 L908 T910 W912 L913 K914	L859-P886 CarbonylContact O-C 3.6Å; L859-P886 WeakPolarHBondContact O-CA 3.42Å; M861-P886 HydrophobicContact CG-CB 4.02Å; M861-P886 HydrophobicContact SD-CB 3.72Å; P886-A904 HydrophobicContact CB-CB 3.6Å; P886-A904 HydrophobicContact CG-CB 3.72Å; P886-L908 HydrophobicContact CB-CD1 4.12Å; P886-L908 HydrophobicContact CG-CD1 4.28Å; P886-T910 HydrophobicContact CG-CG2 3.63Å; P886-W912 WeakPolarHBondContact CD-O 3.5Å; P886-W912 WeakPolarHBondContact CG-O 3.47Å; P886-L913 HydrophobicContact CB-CD1 4.47Å; P886-L913 HydrophobicContact CG-CD1 4.4Å; P886-L913 CarbonylContact O-C 3.46Å; P886-L913 VanDerWaalsContact O-CA 3.28Å; P886-L913 WeakPolarHBondContact O-CA 3.49Å; P886-L913 WeakPolarHBondContact O-CD1 3.21Å; P886-K914 PolarHBondContact O-N 3.39Å
887	N	90.8	Very high	87	Confident	13 Å²	13	42 Å²	42	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154	179.7	69.9	54.4	0	0	0	112.4	T858 L859 A860 L885 S889 K914	T858-N887 WeakPolarHBondContact OG1-CB 3.45Å; T858-N887 PolarHBondContact OG1-ND2 2.92Å; L859-N887 VanDerWaalsContact C-ND2 3.34Å; L859-N887 PolarHBondContact O-N 3.2Å; A860-N887 VanDerWaalsContact CA-OD1 3.23Å; A860-N887 WeakPolarHBondContact CA-OD1 3.25Å; A860-N887 WeakPolarHBondContact CB-OD1 3.21Å; A860-N887 PolarHBondContact N-ND2 3.04Å; L885-N887 PolarHBondContact O-N 3.34Å; N887-S889 VanDerWaalsContact C-N 3.25Å; N887-S889 PolarHBondContact O-N 2.95Å; N887-S889 WeakPolarHBondContact OD1-CB 3.46Å; N887-S889 PolarHBondContact OD1-N 2.81Å; N887-S889 VanDerWaalsContact OD1-N 3.16Å; N887-K914 WeakPolarHBondContact CA-O 3.32Å; N887-K914 HydrophobicContact CB-CB 3.75Å; N887-K914 HydrophobicContact CB-CD 4.31Å; N887-K914 HydrophobicContact CB-CG 3.85Å; N887-K914 WeakPolarHBondContact CB-O 3.33Å
888	T	91.7	Very high	87.7	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.012	26%	0.261	C	S	.	.			trans	-92.9	22.4	179.5	61.8	0	0	0	0	112.3	G890 A891 A897 A900 A901 L913 K914 L915 E916	T888-G890 PolarHBondContact O-N 3.34Å; T888-A891 VanDerWaalsContact O-CB 3.28Å; T888-A891 WeakPolarHBondContact O-CB 3.46Å; T888-A891 PolarHBondContact O-N 3.26Å; T888-A897 HydrophobicContact CG2-CB 4.04Å; T888-A897 VanDerWaalsContact CG2-O 3.23Å; T888-A897 WeakPolarHBondContact CG2-O 3.31Å; T888-A900 HydrophobicContact CG2-CB 4.19Å; T888-A901 HydrophobicContact CG2-CB 4.42Å; T888-L913 HydrophobicContact CG2-CD1 3.87Å; T888-L913 HydrophobicContact CG2-CD2 4.04Å; T888-L913 HydrophobicContact CG2-CG 4.26Å; T888-K914 PolarHBondContact N-O 3.39Å; T888-L915 HydrophobicContact CG2-CD1 4.24Å; T888-E916 CarbonylContact C-O 3.5Å; T888-E916 VanDerWaalsContact O-O 3.12Å; T888-E916 PolarHBondContact OG1-N 2.99Å; T888-E916 PolarHBondContact OG1-O 3.24Å
889	S	81.5	Confident	88.3	Confident	47 Å²	47	44.7 Å²	44.7	33%	0.329	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	127.8	-178.4	172.3	0	0	0	0	111.6	N887 E916	N887-S889 VanDerWaalsContact C-N 3.25Å; N887-S889 PolarHBondContact O-N 2.95Å; N887-S889 WeakPolarHBondContact OD1-CB 3.46Å; N887-S889 PolarHBondContact OD1-N 2.81Å; N887-S889 VanDerWaalsContact OD1-N 3.16Å; S889-E916 WeakPolarHBondContact CB-OE2 3.44Å
890	G	78.5	Confident	88.9	Confident	31 Å²	31	42 Å²	42	32%	0.32	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	12.2	-178.8	0	0	0	0	0	114.6	K862 T888	K862-G890 PolarHBondContact NZ-O 2.99Å; T888-G890 PolarHBondContact O-N 3.34Å
891	A	89.1	Confident	89.6	Confident	4 Å²	4	41 Å²	41	3%	0.033	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-74.2	137.3	153.7	0	0	0	0	0	109.4	T888 E896 A897 I917 H918	T888-A891 VanDerWaalsContact O-CB 3.28Å; T888-A891 WeakPolarHBondContact O-CB 3.46Å; T888-A891 PolarHBondContact O-N 3.26Å; A891-E896 WeakPolarHBondContact CA-OE2 3.34Å; A891-E896 HydrophobicContact CB-CB 3.81Å; A891-A897 HydrophobicContact CB-CB 3.73Å; A891-I917 WeakPolarHBondContact O-CA 3.31Å; A891-H918 PolarHBondContact O-N 3.44Å
892	K	90.4	Very high	90.1	Very high	128 Å²	128	40.1 Å²	40.1	56%	0.557	21%	0.209	S	C	*	.			trans	-103.7	-15.4	176.2	-62.4	-177.8	-179.3	-177.7	0	112.6	E896	K892-E896 PolarHBondContact N-OE2 3.11Å
893	T	93	Very high	90.1	Very high	50 Å²	50	42 Å²	42	31%	0.307	22%	0.218	S	C	.	.	S	Bend	trans	-136.7	163	-179.1	68.2	0	0	0	0	110.2	E895 E896 A897	T893-E895 VanDerWaalsContact C-N 3.26Å; T893-E895 PolarHBondContact O-N 3.48Å; T893-E896 PolarHBondContact O-N 3.29Å; T893-E896 PolarHBondContact OG1-N 3.03Å; T893-A897 PolarHBondContact O-N 2.81Å; T893-A897 VanDerWaalsContact O-N 3.13Å
894	A	94.4	Very high	90	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-38	176	0	0	0	0	0	112.2	A897 I898 I917 E930 K933 A934	A894-A897 PolarHBondContact O-N 3.11Å; A894-I898 WeakPolarHBondContact O-CB 3.37Å; A894-I898 VanDerWaalsContact O-CD1 3.31Å; A894-I898 WeakPolarHBondContact O-CD1 3.48Å; A894-I898 WeakPolarHBondContact O-CG1 3.04Å; A894-I898 PolarHBondContact O-N 2.73Å; A894-I917 HydrophobicContact CB-CD1 4.43Å; A894-E930 WeakPolarHBondContact CB-OE2 3.34Å; A894-E930 PolarHBondContact N-OE2 3.07Å; A894-K933 HydrophobicContact CB-CB 4.11Å; A894-K933 HydrophobicContact CB-CD 3.96Å; A894-K933 HydrophobicContact CB-CG 3.99Å; A894-A934 HydrophobicContact CB-CB 3.83Å
895	E	93.1	Very high	90	Very high	161 Å²	161	43.3 Å²	43.3	75%	0.752	22%	0.219	S	C	*	.	H	α-helix	trans	-62.8	-45.7	179.4	-173.7	177.7	179.7	0	0	111.8	T893 A897 I898 F899	T893-E895 VanDerWaalsContact C-N 3.26Å; T893-E895 PolarHBondContact O-N 3.48Å; E895-A897 VanDerWaalsContact C-N 3.32Å; E895-A897 PolarHBondContact O-N 3.21Å; E895-I898 PolarHBondContact O-N 3.17Å; E895-F899 WeakPolarHBondContact O-CB 3.27Å; E895-F899 PolarHBondContact O-N 3.32Å
896	E	92.9	Very high	89.7	Confident	93 Å²	93	51 Å²	51	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-39.4	175.9	-70.7	179.6	179.4	0	0	111.7	A891 K892 T893 A900	A891-E896 WeakPolarHBondContact CA-OE2 3.34Å; A891-E896 HydrophobicContact CB-CB 3.81Å; K892-E896 PolarHBondContact N-OE2 3.11Å; T893-E896 PolarHBondContact O-N 3.29Å; T893-E896 PolarHBondContact OG1-N 3.03Å; E896-A900 WeakPolarHBondContact O-CB 3.13Å; E896-A900 PolarHBondContact O-N 2.92Å
897	A	93	Very high	89	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-43.7	178.3	0	0	0	0	0	112	T888 A891 T893 A894 E895 A900 A901 L915 I917 A934	T888-A897 HydrophobicContact CG2-CB 4.04Å; T888-A897 VanDerWaalsContact CG2-O 3.23Å; T888-A897 WeakPolarHBondContact CG2-O 3.31Å; A891-A897 HydrophobicContact CB-CB 3.73Å; T893-A897 PolarHBondContact O-N 2.81Å; T893-A897 VanDerWaalsContact O-N 3.13Å; A894-A897 PolarHBondContact O-N 3.11Å; E895-A897 VanDerWaalsContact C-N 3.32Å; E895-A897 PolarHBondContact O-N 3.21Å; A897-A900 PolarHBondContact O-N 3.2Å; A897-A901 WeakPolarHBondContact O-CB 3.44Å; A897-A901 PolarHBondContact O-N 3.4Å; A897-L915 HydrophobicContact CB-CD1 3.81Å; A897-I917 HydrophobicContact CB-CD1 3.78Å; A897-I917 HydrophobicContact CB-CG1 3.85Å; A897-A934 HydrophobicContact CB-CB 4.28Å
898	I	93.7	Very high	88.5	Confident	26 Å²	26	53.2 Å²	53.2	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-45.3	176.3	-68.6	158	0	0	0	110.4	A894 E895 A900 A901 H902 A934 T937 L938	A894-I898 WeakPolarHBondContact O-CB 3.37Å; A894-I898 VanDerWaalsContact O-CD1 3.31Å; A894-I898 WeakPolarHBondContact O-CD1 3.48Å; A894-I898 WeakPolarHBondContact O-CG1 3.04Å; A894-I898 PolarHBondContact O-N 2.73Å; E895-I898 PolarHBondContact O-N 3.17Å; I898-A900 PolarHBondContact O-N 3.42Å; I898-A901 WeakPolarHBondContact O-CB 3.15Å; I898-A901 PolarHBondContact O-N 3.25Å; I898-H902 PolarHBondContact O-N 3.14Å; I898-A934 HydrophobicContact CG1-CB 4.29Å; I898-T937 HydrophobicContact CD1-CG2 3.73Å; I898-T937 HydrophobicContact CG1-CG2 4.21Å; I898-T937 HydrophobicContact CG2-CG2 4.37Å; I898-L938 HydrophobicContact CG1-CD1 4.34Å; I898-L938 HydrophobicContact CG1-CD2 4.39Å; I898-L938 HydrophobicContact CG1-CG 4.09Å; I898-L938 HydrophobicContact CG2-CD2 4.4Å
899	F	91.8	Very high	88.1	Confident	147 Å²	147	56.5 Å²	56.5	65%	0.645	31%	0.305	S	S	*	.	H	α-helix	trans	-59.9	-45.6	176.3	178.4	-100	0	0	0	111.9	E895 A901 H902 L903	E895-F899 WeakPolarHBondContact O-CB 3.27Å; E895-F899 PolarHBondContact O-N 3.32Å; F899-A901 VanDerWaalsContact C-N 3.3Å; F899-A901 PolarHBondContact O-N 3.37Å; F899-H902 PolarHBondContact O-N 3.48Å; F899-L903 PolarHBondContact O-N 3.25Å; F899-L903 VanDerWaalsContact O-N 3.1Å
900	A	88.5	Confident	88.4	Confident	19 Å²	19	55.2 Å²	55.2	16%	0.157	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-36.8	176.6	0	0	0	0	0	112.5	T888 E896 A897 I898 A904	T888-A900 HydrophobicContact CG2-CB 4.19Å; E896-A900 WeakPolarHBondContact O-CB 3.13Å; E896-A900 PolarHBondContact O-N 2.92Å; A897-A900 PolarHBondContact O-N 3.2Å; I898-A900 PolarHBondContact O-N 3.42Å; A900-A904 PolarHBondContact O-N 2.73Å
901	A	91.7	Very high	89	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-40.7	176	0	0	0	0	0	112.9	T888 A897 I898 F899 L903 A904 R905 L913 L938 F943	T888-A901 HydrophobicContact CG2-CB 4.42Å; A897-A901 WeakPolarHBondContact O-CB 3.44Å; A897-A901 PolarHBondContact O-N 3.4Å; I898-A901 WeakPolarHBondContact O-CB 3.15Å; I898-A901 PolarHBondContact O-N 3.25Å; F899-A901 VanDerWaalsContact C-N 3.3Å; F899-A901 PolarHBondContact O-N 3.37Å; A901-L903 VanDerWaalsContact C-N 3.32Å; A901-L903 PolarHBondContact O-N 2.83Å; A901-A904 VanDerWaalsContact O-CB 3.28Å; A901-A904 WeakPolarHBondContact O-CB 3.21Å; A901-A904 PolarHBondContact O-N 3.15Å; A901-A904 VanDerWaalsContact O-N 3.14Å; A901-R905 PolarHBondContact O-N 3.39Å; A901-L913 HydrophobicContact CB-CD1 3.71Å; A901-L913 HydrophobicContact CB-CD2 3.51Å; A901-L913 HydrophobicContact CB-CG 4.25Å; A901-L938 HydrophobicContact CB-CD1 4.1Å; A901-L938 HydrophobicContact CB-CD2 3.38Å; A901-L938 HydrophobicContact CB-CG 4.39Å; A901-F943 HydrophobicContact CB-CE1 3.96Å; A901-F943 HydrophobicContact CB-CZ 4.01Å; A901-F943 VanDerWaalsContact O-CE1 3.28Å; A901-F943 WeakPolarHBondContact O-CE1 3.23Å; A901-F943 VanDerWaalsContact O-CZ 3.26Å; A901-F943 WeakPolarHBondContact O-CZ 3.19Å
902	H	91.4	Very high	89.3	Confident	52 Å²	52	57.3 Å²	57.3	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-45.3	174.2	-70.8	171.4	0	0	0	111.6	I898 F899 A904 R905 E906 Q941 F943	I898-H902 PolarHBondContact O-N 3.14Å; F899-H902 PolarHBondContact O-N 3.48Å; H902-A904 VanDerWaalsContact C-N 3.27Å; H902-A904 PolarHBondContact O-N 2.88Å; H902-R905 PolarHBondContact CD2-NH2 2.77Å; H902-R905 PolarHBondContact O-N 2.87Å; H902-E906 PolarHBondContact O-N 3.36Å; H902-Q941 PolarHBondContact NE2-OE1 2.99Å; H902-F943 AromaticContact CD2-CE2 3.91Å
903	L	86.7	Confident	89.4	Confident	64 Å²	64	51.2 Å²	51.2	34%	0.335	27%	0.271	S	S	.	.	H	α-helix	trans	-58.9	-41.2	174.6	-171.8	69.2	0	0	0	111.2	M861 L866 F899 A901 R905 E906 A907	M861-L903 HydrophobicContact CE-CG 4.28Å; L866-L903 HydrophobicContact CD1-CD1 4.03Å; L866-L903 HydrophobicContact CD1-CG 4.44Å; F899-L903 PolarHBondContact O-N 3.25Å; F899-L903 VanDerWaalsContact O-N 3.1Å; A901-L903 VanDerWaalsContact C-N 3.32Å; A901-L903 PolarHBondContact O-N 2.83Å; L903-R905 PolarHBondContact O-N 2.99Å; L903-E906 PolarHBondContact O-N 3.37Å; L903-A907 WeakPolarHBondContact O-CB 3.43Å; L903-A907 PolarHBondContact O-N 3.5Å
904	A	85.8	Confident	89.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-45	176.6	0	0	0	0	0	113.6	M861 P886 A900 A901 H902 A907 L908	M861-A904 VanDerWaalsContact CE-CA 3.43Å; M861-A904 HydrophobicContact CE-CB 4.05Å; M861-A904 HydrophobicContact CG-CB 3.56Å; M861-A904 WeakPolarHBondContact SD-CA 3.46Å; M861-A904 HydrophobicContact SD-CB 3.35Å; M861-A904 WeakPolarHBondContact SD-CB 3.21Å; P886-A904 HydrophobicContact CB-CB 3.6Å; P886-A904 HydrophobicContact CG-CB 3.72Å; A900-A904 PolarHBondContact O-N 2.73Å; A901-A904 VanDerWaalsContact O-CB 3.28Å; A901-A904 WeakPolarHBondContact O-CB 3.21Å; A901-A904 PolarHBondContact O-N 3.15Å; A901-A904 VanDerWaalsContact O-N 3.14Å; H902-A904 VanDerWaalsContact C-N 3.27Å; H902-A904 PolarHBondContact O-N 2.88Å; A904-A907 PolarHBondContact O-N 2.78Å; A904-L908 VanDerWaalsContact O-CB 3.28Å; A904-L908 WeakPolarHBondContact O-CB 3.29Å; A904-L908 WeakPolarHBondContact O-CG 3.38Å; A904-L908 PolarHBondContact O-N 3.12Å
905	R	88.8	Confident	89.6	Confident	71 Å²	71	49.1 Å²	49.1	27%	0.268	26%	0.258	S	S	.	.	H	α-helix	trans	-66.6	-43.9	179.6	179.3	176.2	56.7	-171.7	-6.9	112	A901 H902 L903 G909 T910 N911 Q941 F943	A901-R905 PolarHBondContact O-N 3.39Å; H902-R905 PolarHBondContact CD2-NH2 2.77Å; H902-R905 PolarHBondContact O-N 2.87Å; L903-R905 PolarHBondContact O-N 2.99Å; R905-G909 WeakPolarHBondContact O-CA 3.49Å; R905-G909 PolarHBondContact O-N 3.14Å; R905-T910 WeakPolarHBondContact CA-O 3.37Å; R905-N911 WeakPolarHBondContact CD-OD1 3.37Å; R905-Q941 PolarHBondContact NH1-O 3.38Å; R905-Q941 VanDerWaalsContact NH1-O 3.09Å; R905-F943 HydrophobicContact CB-CE1 3.81Å; R905-F943 HydrophobicContact CB-CZ 3.7Å; R905-F943 HydrophobicContact CG-CZ 4.37Å; R905-F943 VanDerWaalsContact CZ-CE2 3.41Å; R905-F943 VanDerWaalsContact NH1-CE2 3.3Å
906	E	84.2	Confident	89.5	Confident	163 Å²	163	42.1 Å²	42.1	76%	0.762	23%	0.225	S	C	*	.	H	α-helix	trans	-66.2	-39	177.1	-71.4	-177	179.5	0	0	112.2	H902 L903	H902-E906 PolarHBondContact O-N 3.36Å; L903-E906 PolarHBondContact O-N 3.37Å
907	A	77.8	Confident	89.5	Confident	27 Å²	27	37.7 Å²	37.7	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-71.9	-48.8	-179.2	0	0	0	0	0	114	M861 L866 L903 A904	M861-A907 HydrophobicContact CE-CB 3.88Å; L866-A907 HydrophobicContact CD1-CB 3.74Å; L866-A907 HydrophobicContact CD2-CB 3.29Å; L866-A907 HydrophobicContact CG-CB 4.14Å; L903-A907 WeakPolarHBondContact O-CB 3.43Å; L903-A907 PolarHBondContact O-N 3.5Å; A904-A907 PolarHBondContact O-N 2.78Å
908	L	80.8	Confident	89.2	Confident	32 Å²	32	38.1 Å²	38.1	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-108.3	-7.6	-164.5	-52.5	-173.4	0	0	0	112.8	L859 M861 V864 L874 P886 A904 T910	L859-L908 HydrophobicContact CD2-CD1 3.83Å; M861-L908 HydrophobicContact SD-CD1 3.9Å; M861-L908 HydrophobicContact SD-CG 4.37Å; V864-L908 HydrophobicContact CG1-CD2 4.15Å; L874-L908 HydrophobicContact CD1-CD2 3.39Å; L874-L908 HydrophobicContact CD2-CD2 3.44Å; L874-L908 VanDerWaalsContact CD2-CD2 3.44Å; L874-L908 HydrophobicContact CG-CD2 4.03Å; P886-L908 HydrophobicContact CB-CD1 4.12Å; P886-L908 HydrophobicContact CG-CD1 4.28Å; A904-L908 VanDerWaalsContact O-CB 3.28Å; A904-L908 WeakPolarHBondContact O-CB 3.29Å; A904-L908 WeakPolarHBondContact O-CG 3.38Å; A904-L908 PolarHBondContact O-N 3.12Å; L908-T910 HydrophobicContact CB-CG2 3.92Å; L908-T910 HydrophobicContact CD1-CG2 4.44Å; L908-T910 PolarHBondContact O-N 3.19Å
909	G	83.8	Confident	88.6	Confident	71 Å²	71	40.1 Å²	40.1	73%	0.732	22%	0.221	S	C	*	.	S	Bend	trans	61.6	23.2	-174.8	0	0	0	0	0	113.7	R905	R905-G909 WeakPolarHBondContact O-CA 3.49Å; R905-G909 PolarHBondContact O-N 3.14Å
910	T	87.2	Confident	87.9	Confident	21 Å²	21	36.2 Å²	36.2	13%	0.129	21%	0.207	C	C	.	.			trans	-113	144.4	179.7	-170	0	0	0	0	111.6	P886 R905 L908 W912	P886-T910 HydrophobicContact CG-CG2 3.63Å; R905-T910 WeakPolarHBondContact CA-O 3.37Å; L908-T910 HydrophobicContact CB-CG2 3.92Å; L908-T910 HydrophobicContact CD1-CG2 4.44Å; L908-T910 PolarHBondContact O-N 3.19Å; T910-W912 PolarHBondContact OG1-N 2.83Å
911	N	91.5	Very high	87.1	Confident	72 Å²	72	39.4 Å²	39.4	39%	0.385	23%	0.233	S	C	.	.			trans	-98	-7.9	171.2	-69.9	-33.3	0	0	0	112.2	R905 G942 F943 V944	R905-N911 WeakPolarHBondContact CD-OD1 3.37Å; N911-G942 WeakPolarHBondContact CB-O 3.06Å; N911-F943 CarbonylContact O-C 3.42Å; N911-F943 WeakPolarHBondContact O-CA 3.15Å; N911-F943 WeakPolarHBondContact O-CB 3.47Å; N911-F943 VanDerWaalsContact O-CD1 3.27Å; N911-F943 WeakPolarHBondContact O-CD1 3.48Å; N911-V944 PolarHBondContact O-N 2.89Å
912	W	93.9	Very high	86.2	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.1	178.3	-77.3	63	0	0	0	110.4	I823 A824 D825 K826 F828 L856 L885 P886 T910 V944 L946	I823-W912 HydrophobicContact CB-CH2 3.82Å; I823-W912 HydrophobicContact CB-CZ3 4.17Å; I823-W912 HydrophobicContact CG2-CH2 3.69Å; I823-W912 HydrophobicContact CG2-CZ3 3.73Å; I823-W912 WeakPolarHBondContact O-CH2 3.43Å; I823-W912 WeakPolarHBondContact O-CZ2 3.44Å; A824-W912 HydrophobicContact CB-CH2 4.38Å; A824-W912 HydrophobicContact CB-CZ2 3.98Å; D825-W912 VanDerWaalsContact OD1-CZ2 3.27Å; D825-W912 WeakPolarHBondContact OD1-CZ2 2.99Å; D825-W912 PolarHBondContact OD1-NE1 3.12Å; K826-W912 HydrophobicContact CB-CH2 3.91Å; K826-W912 HydrophobicContact CB-CZ2 3.67Å; K826-W912 HydrophobicContact CD-CH2 4.27Å; K826-W912 HydrophobicContact CD-CZ2 3.67Å; K826-W912 HydrophobicContact CG-CH2 4.3Å; K826-W912 HydrophobicContact CG-CZ2 3.6Å; F828-W912 HydrophobicContact CE2-CH2 4.08Å; F828-W912 HydrophobicContact CE2-CZ3 4.34Å; F828-W912 HydrophobicContact CZ-CH2 4Å; F828-W912 HydrophobicContact CZ-CZ3 4.19Å; L856-W912 HydrophobicContact CD1-CE3 3.9Å; L856-W912 HydrophobicContact CD1-CZ3 3.97Å; L856-W912 HydrophobicContact CD2-CZ3 4.06Å; L885-W912 HydrophobicContact CD1-CB 4Å; L885-W912 HydrophobicContact CD1-CE3 4.15Å; P886-W912 WeakPolarHBondContact CD-O 3.5Å; P886-W912 WeakPolarHBondContact CG-O 3.47Å; T910-W912 PolarHBondContact OG1-N 2.83Å; W912-V944 CarbonylContact C-O 3.57Å; W912-V944 WeakPolarHBondContact CA-O 3.41Å; W912-V944 HydrophobicContact CD2-CB 4.04Å; W912-V944 HydrophobicContact CD2-CG1 3.68Å; W912-V944 HydrophobicContact CE3-CG1 3.94Å; W912-V944 HydrophobicContact CG-CB 3.94Å; W912-V944 HydrophobicContact CG-CG1 4.14Å; W912-V944 HydrophobicContact CH2-CG1 4.33Å; W912-V944 HydrophobicContact CZ2-CG1 4.03Å; W912-V944 HydrophobicContact CZ3-CG1 4.27Å; W912-L946 HydrophobicContact CE3-CD1 3.98Å; W912-L946 HydrophobicContact CZ3-CD1 4.11Å
913	L	94.3	Very high	85.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.7	-177.6	-174.6	82.7	0	0	0	112.1	P886 T888 A901 L938 F943 V944 V945 L946	P886-L913 HydrophobicContact CB-CD1 4.47Å; P886-L913 HydrophobicContact CG-CD1 4.4Å; P886-L913 CarbonylContact O-C 3.46Å; P886-L913 VanDerWaalsContact O-CA 3.28Å; P886-L913 WeakPolarHBondContact O-CA 3.49Å; P886-L913 WeakPolarHBondContact O-CD1 3.21Å; T888-L913 HydrophobicContact CG2-CD1 3.87Å; T888-L913 HydrophobicContact CG2-CD2 4.04Å; T888-L913 HydrophobicContact CG2-CG 4.26Å; A901-L913 HydrophobicContact CB-CD1 3.71Å; A901-L913 HydrophobicContact CB-CD2 3.51Å; A901-L913 HydrophobicContact CB-CG 4.25Å; L913-L938 HydrophobicContact CD2-CD1 3.45Å; L913-L938 VanDerWaalsContact CD2-CD1 3.45Å; L913-L938 HydrophobicContact CD2-CD2 4.44Å; L913-L938 HydrophobicContact CD2-CG 4.42Å; L913-F943 HydrophobicContact CB-CD1 4.12Å; L913-V944 PolarHBondContact N-O 3.46Å; L913-V945 CarbonylContact O-C 3.46Å; L913-V945 WeakPolarHBondContact O-CA 2.89Å; L913-L946 PolarHBondContact O-N 3.49Å
914	K	95.2	Very high	85	Confident	6 Å²	6	52 Å²	52	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	105.3	163.4	167	166.9	-152.3	-141.9	0	109.6	T858 L885 P886 N887 T888 E916 L946 M968 D1000 L1021	T858-K914 HydrophobicContact CG2-CD 4.11Å; T858-K914 WeakPolarHBondContact OG1-CD 3.25Å; L885-K914 HydrophobicContact CD1-CB 4.29Å; L885-K914 HydrophobicContact CD2-CB 3.74Å; L885-K914 HydrophobicContact CG-CB 3.69Å; P886-K914 PolarHBondContact O-N 3.39Å; N887-K914 WeakPolarHBondContact CA-O 3.32Å; N887-K914 HydrophobicContact CB-CB 3.75Å; N887-K914 HydrophobicContact CB-CD 4.31Å; N887-K914 HydrophobicContact CB-CG 3.85Å; N887-K914 WeakPolarHBondContact CB-O 3.33Å; T888-K914 PolarHBondContact N-O 3.39Å; K914-E916 HydrophobicContact CD-CG 4.5Å; K914-E916 WeakPolarHBondContact CD-OE1 3.47Å; K914-E916 WeakPolarHBondContact CE-OE1 3.43Å; K914-E916 HydrophobicContact CG-CG 4.04Å; K914-E916 IonicContact NZ-OE1 2.61Å; K914-E916 PolarHBondContact NZ-OE1 3.36Å; K914-E916 PolarHBondContact O-N 3.31Å; K914-L946 CarbonylContact C-O 3.54Å; K914-L946 VanDerWaalsContact CA-O 3.23Å; K914-L946 WeakPolarHBondContact CA-O 3.33Å; K914-M968 HydrophobicContact CB-CE 4.35Å; K914-M968 HydrophobicContact CD-CE 3.88Å; K914-M968 HydrophobicContact CG-CE 3.69Å; K914-D1000 WeakPolarHBondContact CE-OD2 3.5Å; K914-D1000 IonicContact NZ-OD1 3.73Å; K914-D1000 IonicContact NZ-OD2 3.27Å; K914-D1000 PolarHBondContact NZ-OD2 3.35Å; K914-L1021 HydrophobicContact CD-CD1 4.42Å
915	L	95.2	Very high	85	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.2	-178.8	179	66.9	0	0	0	110.2	T888 A897 I917 T931 A934 A935 L938 V945 L946 P947 Y948	T888-L915 HydrophobicContact CG2-CD1 4.24Å; A897-L915 HydrophobicContact CB-CD1 3.81Å; L915-I917 HydrophobicContact CD1-CD1 4.37Å; L915-I917 HydrophobicContact CD1-CG1 4.32Å; L915-T931 HydrophobicContact CD2-CG2 3.95Å; L915-T931 VanDerWaalsContact CD2-O 3.25Å; L915-T931 WeakPolarHBondContact CD2-O 3.47Å; L915-T931 HydrophobicContact CG-CG2 4.27Å; L915-A934 HydrophobicContact CD1-CB 3.74Å; L915-A934 HydrophobicContact CD2-CB 3.88Å; L915-A934 HydrophobicContact CG-CB 4.41Å; L915-A935 HydrophobicContact CD2-CB 3.69Å; L915-L938 HydrophobicContact CD1-CD1 3.98Å; L915-V945 HydrophobicContact CB-CG1 3.71Å; L915-V945 HydrophobicContact CD2-CG1 4.04Å; L915-L946 PolarHBondContact N-O 3.32Å; L915-P947 HydrophobicContact CB-CB 4.4Å; L915-Y948 PolarHBondContact O-N 2.71Å
916	E	92.2	Very high	85.1	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.061	29%	0.289	C	S	.	.			trans	-136.4	122.7	-177.2	-82	-174.4	-155.4	0	0	109.7	T888 S889 K914 H918 Y948	T888-E916 CarbonylContact C-O 3.5Å; T888-E916 VanDerWaalsContact O-O 3.12Å; T888-E916 PolarHBondContact OG1-N 2.99Å; T888-E916 PolarHBondContact OG1-O 3.24Å; S889-E916 WeakPolarHBondContact CB-OE2 3.44Å; K914-E916 HydrophobicContact CD-CG 4.5Å; K914-E916 WeakPolarHBondContact CD-OE1 3.47Å; K914-E916 WeakPolarHBondContact CE-OE1 3.43Å; K914-E916 HydrophobicContact CG-CG 4.04Å; K914-E916 IonicContact NZ-OE1 2.61Å; K914-E916 PolarHBondContact NZ-OE1 3.36Å; K914-E916 PolarHBondContact O-N 3.31Å; E916-H918 IonicContact OE2-CD2 3.86Å; E916-H918 IonicContact OE2-CE1 3.73Å; E916-H918 IonicContact OE2-NE2 2.79Å; E916-H918 PolarHBondContact OE2-NE2 3.31Å; E916-Y948 HydrophobicContact CG-CD1 4.4Å; E916-Y948 HydrophobicContact CG-CG 4.45Å
917	I	92.5	Very high	85.5	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-133.1	109.2	175.9	-56	-175.5	0	0	0	108.5	A891 A894 A897 L915 P919 P926 D927 E930 A934	A891-I917 WeakPolarHBondContact O-CA 3.31Å; A894-I917 HydrophobicContact CB-CD1 4.43Å; A897-I917 HydrophobicContact CB-CD1 3.78Å; A897-I917 HydrophobicContact CB-CG1 3.85Å; L915-I917 HydrophobicContact CD1-CD1 4.37Å; L915-I917 HydrophobicContact CD1-CG1 4.32Å; I917-P919 WeakPolarHBondContact O-CD 3.43Å; I917-P926 WeakPolarHBondContact O-CA 3.44Å; I917-D927 HydrophobicContact CG2-CB 4.41Å; I917-D927 PolarHBondContact O-N 3.47Å; I917-E930 VanDerWaalsContact CD1-C 3.49Å; I917-E930 HydrophobicContact CD1-CB 3.95Å; I917-E930 WeakPolarHBondContact CD1-O 2.94Å; I917-E930 HydrophobicContact CG2-CB 3.9Å; I917-A934 HydrophobicContact CD1-CB 3.78Å
918	H	87	Confident	86.2	Confident	9 Å²	9	48.7 Å²	48.7	4%	0.042	27%	0.271	C	S	.	.			trans	-118.9	93.4	-171.9	-49.2	-55.5	0	0	0	109.2	A891 E916 D920 L924 Y948	A891-H918 PolarHBondContact O-N 3.44Å; E916-H918 IonicContact OE2-CD2 3.86Å; E916-H918 IonicContact OE2-CE1 3.73Å; E916-H918 IonicContact OE2-NE2 2.79Å; E916-H918 PolarHBondContact OE2-NE2 3.31Å; H918-D920 PolarHBondContact O-N 3.09Å; H918-L924 HydrophobicContact CB-CD2 4.19Å; H918-Y948 AromaticContact CE1-CD1 3.45Å; H918-Y948 VanDerWaalsContact CE1-CD1 3.45Å; H918-Y948 WeakPolarHBondContact CE1-CD1 3.41Å; H918-Y948 AromaticContact CE1-CE1 3.52Å; H918-Y948 AromaticContact ND1-CE1 3.9Å
919	P	80.6	Confident	86.8	Confident	69 Å²	69	53 Å²	53	45%	0.448	29%	0.293	S	S	.	.	S	Bend	trans	-66.4	-29.8	177.4	26.9	-34.5	0	0	0	111.3	I917 D927	I917-P919 WeakPolarHBondContact O-CD 3.43Å; P919-D927 HydrophobicContact CG-CB 3.95Å
920	D	75.9	Confident	87.4	Confident	65 Å²	65	51.8 Å²	51.8	35%	0.348	27%	0.268	S	S	.	.			trans	-103.8	118.2	174.4	-178.8	17.5	0	0	0	111.9	H918 R922 L924	H918-D920 PolarHBondContact O-N 3.09Å; D920-R922 VanDerWaalsContact C-N 3.31Å; D920-R922 PolarHBondContact O-N 3.19Å; D920-R922 WeakPolarHBondContact OD1-CB 3.41Å; D920-R922 PolarHBondContact OD1-N 2.99Å; D920-L924 WeakPolarHBondContact O-CA 3.12Å; D920-L924 PolarHBondContact O-N 2.76Å
921	A	71.7	Confident	87.8	Confident	85 Å²	85	50.8 Å²	50.8	70%	0.702	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.3	178.9	0	0	0	0	0	113.5
922	R	73.3	Confident	88	Confident	192 Å²	192	49 Å²	49	73%	0.725	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-53	-177.2	-178	177.4	178.6	170.6	2	111.9	D920	D920-R922 VanDerWaalsContact C-N 3.31Å; D920-R922 PolarHBondContact O-N 3.19Å; D920-R922 WeakPolarHBondContact OD1-CB 3.41Å; D920-R922 PolarHBondContact OD1-N 2.99Å
923	W	72.3	Confident	88	Confident	131 Å²	131	54.1 Å²	54.1	50%	0.496	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.2	-175	-59.4	113.3	0	0	0	113.5	L925	W923-L925 HydrophobicContact CB-CD1 4.16Å; W923-L925 HydrophobicContact CB-CG 3.88Å; W923-L925 PolarHBondContact O-N 3.22Å
924	L	80.3	Confident	88.1	Confident	58 Å²	58	54.1 Å²	54.1	30%	0.304	28%	0.275	S	S	.	.			trans	50.6	42.6	-177.5	-56.9	174.1	0	0	0	111.7	H918 D920 Y948 I974	H918-L924 HydrophobicContact CB-CD2 4.19Å; D920-L924 WeakPolarHBondContact O-CA 3.12Å; D920-L924 PolarHBondContact O-N 2.76Å; L924-Y948 VanDerWaalsContact O-CE1 3.32Å; L924-Y948 WeakPolarHBondContact O-CE1 3.33Å; L924-Y948 PolarHBondContact O-OH 2.97Å; L924-I974 HydrophobicContact CB-CB 4.22Å; L924-I974 HydrophobicContact CB-CD1 4.26Å; L924-I974 HydrophobicContact CD1-CB 4.38Å; L924-I974 HydrophobicContact CD1-CG2 4.05Å
925	L	86.3	Confident	88.2	Confident	75 Å²	75	53.9 Å²	53.9	39%	0.393	27%	0.274	S	S	.	.			trans	-80.1	136.4	173.2	-65.9	176.1	0	0	0	108.7	W923 L970 P973	W923-L925 HydrophobicContact CB-CD1 4.16Å; W923-L925 HydrophobicContact CB-CG 3.88Å; W923-L925 PolarHBondContact O-N 3.22Å; L925-L970 HydrophobicContact CD2-CD2 4.24Å; L925-P973 HydrophobicContact CD2-CB 4.4Å; L925-P973 HydrophobicContact CD2-CG 4.35Å
926	P	90.4	Very high	88.3	Confident	14 Å²	14	58.5 Å²	58.5	9%	0.091	30%	0.295	C	S	.	.			trans	-74.6	140.9	-178.7	28.1	-28	0	0	0	111	I917 P928 Y948 C949 G950 L970	I917-P926 WeakPolarHBondContact O-CA 3.44Å; P926-P928 WeakPolarHBondContact O-CD 3.43Å; P926-Y948 HydrophobicContact CB-CD1 3.7Å; P926-Y948 HydrophobicContact CB-CE1 3.77Å; P926-Y948 WeakPolarHBondContact CB-O 3.43Å; P926-Y948 VanDerWaalsContact CD-CE1 3.43Å; P926-Y948 HydrophobicContact CG-CD1 3.92Å; P926-Y948 HydrophobicContact CG-CE1 3.63Å; P926-C949 VanDerWaalsContact CG-CA 3.49Å; P926-G950 VanDerWaalsContact CG-N 3.3Å; P926-L970 HydrophobicContact CG-CD2 4.15Å
927	D	92.6	Very high	88.4	Confident	41 Å²	41	59.9 Å²	59.9	22%	0.219	31%	0.305	C	S	.	.			trans	-79.4	114.9	168.7	-170.7	-54.5	0	0	0	109.9	I917 P919 I929 E930 T931	I917-D927 HydrophobicContact CG2-CB 4.41Å; I917-D927 PolarHBondContact O-N 3.47Å; P919-D927 HydrophobicContact CG-CB 3.95Å; D927-I929 VanDerWaalsContact C-N 3.32Å; D927-I929 PolarHBondContact O-N 3.19Å; D927-I929 PolarHBondContact OD1-N 3.48Å; D927-E930 HydrophobicContact CB-CB 4.14Å; D927-E930 HydrophobicContact CB-CG 4.5Å; D927-E930 PolarHBondContact OD1-N 3.33Å; D927-T931 WeakPolarHBondContact O-CB 3.28Å; D927-T931 PolarHBondContact O-N 3.41Å; D927-T931 PolarHBondContact O-OG1 3.34Å
928	P	92.7	Very high	88.6	Confident	61 Å²	61	59.9 Å²	59.9	40%	0.396	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-32.4	-175.7	28.2	-36.4	0	0	0	113.3	P926 L932 L955	P926-P928 WeakPolarHBondContact O-CD 3.43Å; P928-L932 WeakPolarHBondContact O-CB 3.44Å; P928-L932 PolarHBondContact O-N 3.18Å; P928-L955 HydrophobicContact CB-CD1 4.08Å; P928-L955 HydrophobicContact CB-CD2 3.56Å; P928-L955 HydrophobicContact CB-CG 4.4Å; P928-L955 WeakPolarHBondContact O-CD1 3.38Å
929	I	94.4	Very high	89	Confident	124 Å²	124	61 Å²	61	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-78.3	-51.6	-175.5	-62.4	173.8	0	0	0	109.8	D927 T931 L932 K933	D927-I929 VanDerWaalsContact C-N 3.32Å; D927-I929 PolarHBondContact O-N 3.19Å; D927-I929 PolarHBondContact OD1-N 3.48Å; I929-T931 VanDerWaalsContact C-N 3.3Å; I929-T931 PolarHBondContact O-N 2.82Å; I929-L932 PolarHBondContact O-N 3.2Å; I929-K933 PolarHBondContact O-N 3.39Å; I929-K933 VanDerWaalsContact O-N 3.08Å
930	E	95.6	Very high	89.6	Confident	45 Å²	45	64.8 Å²	64.8	21%	0.21	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-36.5	-179.8	-66.6	-66.3	128.6	0	0	110.7	A894 I917 D927 K933 A934	A894-E930 WeakPolarHBondContact CB-OE2 3.34Å; A894-E930 PolarHBondContact N-OE2 3.07Å; I917-E930 VanDerWaalsContact CD1-C 3.49Å; I917-E930 HydrophobicContact CD1-CB 3.95Å; I917-E930 WeakPolarHBondContact CD1-O 2.94Å; I917-E930 HydrophobicContact CG2-CB 3.9Å; D927-E930 HydrophobicContact CB-CB 4.14Å; D927-E930 HydrophobicContact CB-CG 4.5Å; D927-E930 PolarHBondContact OD1-N 3.33Å; E930-K933 PolarHBondContact O-N 2.75Å; E930-A934 WeakPolarHBondContact O-CB 3.46Å; E930-A934 PolarHBondContact O-N 3.48Å
931	T	95.3	Very high	90.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-45.5	176.4	-59.5	0	0	0	0	111.1	L915 D927 I929 K933 A934 A935 P947 L959	L915-T931 HydrophobicContact CD2-CG2 3.95Å; L915-T931 VanDerWaalsContact CD2-O 3.25Å; L915-T931 WeakPolarHBondContact CD2-O 3.47Å; L915-T931 HydrophobicContact CG-CG2 4.27Å; D927-T931 WeakPolarHBondContact O-CB 3.28Å; D927-T931 PolarHBondContact O-N 3.41Å; D927-T931 PolarHBondContact O-OG1 3.34Å; I929-T931 VanDerWaalsContact C-N 3.3Å; I929-T931 PolarHBondContact O-N 2.82Å; T931-K933 PolarHBondContact O-N 3.31Å; T931-A934 PolarHBondContact O-N 3.06Å; T931-A935 VanDerWaalsContact O-CB 3.31Å; T931-A935 WeakPolarHBondContact O-CB 3.42Å; T931-A935 PolarHBondContact O-N 2.86Å; T931-P947 HydrophobicContact CG2-CB 3.89Å; T931-L959 HydrophobicContact CG2-CD2 4.25Å
932	L	95.5	Very high	91.5	Very high	34 Å²	34	63.2 Å²	63.2	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-44.9	177.2	-177.3	62.9	0	0	0	111.9	P928 I929 A934 A935 E936 L955 R958 L959 V962	P928-L932 WeakPolarHBondContact O-CB 3.44Å; P928-L932 PolarHBondContact O-N 3.18Å; I929-L932 PolarHBondContact O-N 3.2Å; L932-A934 PolarHBondContact O-N 3.5Å; L932-A935 PolarHBondContact O-N 3.17Å; L932-E936 PolarHBondContact O-N 3.21Å; L932-L955 HydrophobicContact CB-CD1 4.43Å; L932-R958 HydrophobicContact CD1-CB 3.84Å; L932-R958 HydrophobicContact CD2-CB 4.2Å; L932-L959 HydrophobicContact CD1-CD2 4.05Å; L932-L959 HydrophobicContact CD1-CG 4.42Å; L932-V962 HydrophobicContact CD1-CG2 3.79Å
933	K	95.8	Very high	92.5	Very high	115 Å²	115	54.4 Å²	54.4	50%	0.5	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-41.7	179.5	-178.4	-178.8	173.6	-170	0	112.8	A894 I929 E930 T931 T937	A894-K933 HydrophobicContact CB-CB 4.11Å; A894-K933 HydrophobicContact CB-CD 3.96Å; A894-K933 HydrophobicContact CB-CG 3.99Å; I929-K933 PolarHBondContact O-N 3.39Å; I929-K933 VanDerWaalsContact O-N 3.08Å; E930-K933 PolarHBondContact O-N 2.75Å; T931-K933 PolarHBondContact O-N 3.31Å; K933-T937 PolarHBondContact O-N 3.47Å; K933-T937 PolarHBondContact O-OG1 3.11Å
934	A	96.2	Very high	93.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.9	-43.2	175.6	0	0	0	0	0	111.8	A894 A897 I898 L915 I917 E930 T931 L932 E936 T937 L938	A894-A934 HydrophobicContact CB-CB 3.83Å; A897-A934 HydrophobicContact CB-CB 4.28Å; I898-A934 HydrophobicContact CG1-CB 4.29Å; L915-A934 HydrophobicContact CD1-CB 3.74Å; L915-A934 HydrophobicContact CD2-CB 3.88Å; L915-A934 HydrophobicContact CG-CB 4.41Å; I917-A934 HydrophobicContact CD1-CB 3.78Å; E930-A934 WeakPolarHBondContact O-CB 3.46Å; E930-A934 PolarHBondContact O-N 3.48Å; T931-A934 PolarHBondContact O-N 3.06Å; L932-A934 PolarHBondContact O-N 3.5Å; A934-E936 VanDerWaalsContact C-N 3.32Å; A934-E936 PolarHBondContact O-N 3.4Å; A934-T937 PolarHBondContact O-N 3.37Å; A934-L938 HydrophobicContact CB-CD1 4.39Å; A934-L938 WeakPolarHBondContact O-CB 3.31Å; A934-L938 WeakPolarHBondContact O-CD1 3.3Å; A934-L938 VanDerWaalsContact O-CG 3.24Å; A934-L938 WeakPolarHBondContact O-CG 3.47Å; A934-L938 PolarHBondContact O-N 3.46Å
935	A	96.7	Very high	94.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.5	-46.7	176.9	0	0	0	0	0	111.3	L915 T931 L932 T937 L938 V939 V945 L959 V962	L915-A935 HydrophobicContact CD2-CB 3.69Å; T931-A935 VanDerWaalsContact O-CB 3.31Å; T931-A935 WeakPolarHBondContact O-CB 3.42Å; T931-A935 PolarHBondContact O-N 2.86Å; L932-A935 PolarHBondContact O-N 3.17Å; A935-T937 VanDerWaalsContact C-N 3.35Å; A935-T937 PolarHBondContact O-N 3.25Å; A935-L938 PolarHBondContact O-N 3.01Å; A935-V939 WeakPolarHBondContact O-CB 3.42Å; A935-V939 WeakPolarHBondContact O-CG2 3.44Å; A935-V939 PolarHBondContact O-N 2.79Å; A935-V945 HydrophobicContact CB-CG1 4.36Å; A935-L959 HydrophobicContact CB-CD2 3.82Å; A935-V962 VanDerWaalsContact C-CG1 3.49Å; A935-V962 HydrophobicContact CB-CG1 3.92Å
936	E	96.3	Very high	94.9	Very high	97 Å²	97	43 Å²	43	45%	0.453	23%	0.229	S	C	.	.	H	α-helix	trans	-56.7	-48.3	179.2	-174.2	176.5	-162.1	0	0	111.9	L932 A934 Q940 V962	L932-E936 PolarHBondContact O-N 3.21Å; A934-E936 VanDerWaalsContact C-N 3.32Å; A934-E936 PolarHBondContact O-N 3.4Å; E936-Q940 WeakPolarHBondContact O-CB 3.36Å; E936-Q940 VanDerWaalsContact O-CG 3.23Å; E936-Q940 WeakPolarHBondContact O-CG 3.24Å; E936-Q940 PolarHBondContact O-N 3.38Å; E936-V962 VanDerWaalsContact CA-CG1 3.45Å; E936-V962 HydrophobicContact CB-CG1 4.2Å; E936-V962 HydrophobicContact CB-CG2 4.16Å; E936-V962 HydrophobicContact CG-CG2 4.5Å
937	T	95.6	Very high	95.1	Very high	43 Å²	43	42.3 Å²	42.3	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-41.3	-179.9	-56.4	0	0	0	0	111.9	I898 K933 A934 A935 Q941	I898-T937 HydrophobicContact CD1-CG2 3.73Å; I898-T937 HydrophobicContact CG1-CG2 4.21Å; I898-T937 HydrophobicContact CG2-CG2 4.37Å; K933-T937 PolarHBondContact O-N 3.47Å; K933-T937 PolarHBondContact O-OG1 3.11Å; A934-T937 PolarHBondContact O-N 3.37Å; A935-T937 VanDerWaalsContact C-N 3.35Å; A935-T937 PolarHBondContact O-N 3.25Å; T937-Q941 VanDerWaalsContact O-CD 3.31Å; T937-Q941 WeakPolarHBondContact O-CG 3.1Å; T937-Q941 PolarHBondContact O-N 3.19Å
938	L	96.2	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.2	-41.7	-174.9	-71.9	165.4	0	0	0	112.4	I898 A901 L913 L915 A934 A935 Q940 Q941 G942 F943 V945	I898-L938 HydrophobicContact CG1-CD1 4.34Å; I898-L938 HydrophobicContact CG1-CD2 4.39Å; I898-L938 HydrophobicContact CG1-CG 4.09Å; I898-L938 HydrophobicContact CG2-CD2 4.4Å; A901-L938 HydrophobicContact CB-CD1 4.1Å; A901-L938 HydrophobicContact CB-CD2 3.38Å; A901-L938 HydrophobicContact CB-CG 4.39Å; L913-L938 HydrophobicContact CD2-CD1 3.45Å; L913-L938 VanDerWaalsContact CD2-CD1 3.45Å; L913-L938 HydrophobicContact CD2-CD2 4.44Å; L913-L938 HydrophobicContact CD2-CG 4.42Å; L915-L938 HydrophobicContact CD1-CD1 3.98Å; A934-L938 HydrophobicContact CB-CD1 4.39Å; A934-L938 WeakPolarHBondContact O-CB 3.31Å; A934-L938 WeakPolarHBondContact O-CD1 3.3Å; A934-L938 VanDerWaalsContact O-CG 3.24Å; A934-L938 WeakPolarHBondContact O-CG 3.47Å; A934-L938 PolarHBondContact O-N 3.46Å; A935-L938 PolarHBondContact O-N 3.01Å; L938-Q940 VanDerWaalsContact C-N 3.34Å; L938-Q940 PolarHBondContact O-N 3.23Å; L938-Q941 CarbonylContact O-C 3.53Å; L938-Q941 PolarHBondContact O-N 3.38Å; L938-Q941 VanDerWaalsContact O-N 3.1Å; L938-G942 PolarHBondContact O-N 2.78Å; L938-F943 HydrophobicContact CB-CB 4.14Å; L938-F943 HydrophobicContact CB-CD2 4.18Å; L938-F943 HydrophobicContact CB-CG 4.33Å; L938-F943 HydrophobicContact CD2-CD2 3.66Å; L938-F943 HydrophobicContact CD2-CE2 3.69Å; L938-F943 HydrophobicContact CD2-CG 4.15Å; L938-F943 HydrophobicContact CD2-CZ 4.24Å; L938-F943 WeakPolarHBondContact O-CB 3.33Å; L938-F943 WeakPolarHBondContact O-CD2 3.27Å; L938-F943 PolarHBondContact O-N 2.89Å; L938-V945 HydrophobicContact CB-CG2 3.75Å
939	V	95.4	Very high	95.3	Very high	33 Å²	33	37.5 Å²	37.5	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-43	174.9	175.7	0	0	0	0	110.7	A935 Q941 G942 V945 V962	A935-V939 WeakPolarHBondContact O-CB 3.42Å; A935-V939 WeakPolarHBondContact O-CG2 3.44Å; A935-V939 PolarHBondContact O-N 2.79Å; V939-Q941 PolarHBondContact O-N 3.47Å; V939-G942 PolarHBondContact O-N 3.13Å; V939-V945 HydrophobicContact CG2-CB 3.93Å; V939-V945 HydrophobicContact CG2-CG2 3.66Å; V939-V962 HydrophobicContact CB-CG1 4.32Å; V939-V962 WeakPolarHBondContact CG1-O 3.31Å; V939-V962 HydrophobicContact CG2-CG1 4.07Å
940	Q	93.6	Very high	95.2	Very high	148 Å²	148	32.6 Å²	32.6	69%	0.692	18%	0.176	S	C	*	.	H	α-helix	trans	-59.7	-29.3	174.7	-73.9	175	10.8	0	0	113.1	E936 L938 G942	E936-Q940 WeakPolarHBondContact O-CB 3.36Å; E936-Q940 VanDerWaalsContact O-CG 3.23Å; E936-Q940 WeakPolarHBondContact O-CG 3.24Å; E936-Q940 PolarHBondContact O-N 3.38Å; L938-Q940 VanDerWaalsContact C-N 3.34Å; L938-Q940 PolarHBondContact O-N 3.23Å; Q940-G942 VanDerWaalsContact C-N 3.25Å; Q940-G942 PolarHBondContact O-N 3.35Å
941	Q	94.2	Very high	95	Very high	72 Å²	72	31.2 Å²	31.2	34%	0.336	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	6.5	176.4	-69	167.2	-2.5	0	0	113.5	H902 R905 T937 L938 V939 F943	H902-Q941 PolarHBondContact NE2-OE1 2.99Å; R905-Q941 PolarHBondContact NH1-O 3.38Å; R905-Q941 VanDerWaalsContact NH1-O 3.09Å; T937-Q941 VanDerWaalsContact O-CD 3.31Å; T937-Q941 WeakPolarHBondContact O-CG 3.1Å; T937-Q941 PolarHBondContact O-N 3.19Å; L938-Q941 CarbonylContact O-C 3.53Å; L938-Q941 PolarHBondContact O-N 3.38Å; L938-Q941 VanDerWaalsContact O-N 3.1Å; V939-Q941 PolarHBondContact O-N 3.47Å; Q941-F943 HydrophobicContact CB-CD2 4.07Å; Q941-F943 HydrophobicContact CB-CE2 4.26Å
942	G	92.3	Very high	94.9	Very high	44 Å²	44	34.6 Å²	34.6	45%	0.454	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	15.2	175.6	0	0	0	0	0	115.1	N911 L938 V939 Q940	N911-G942 WeakPolarHBondContact CB-O 3.06Å; L938-G942 PolarHBondContact O-N 2.78Å; V939-G942 PolarHBondContact O-N 3.13Å; Q940-G942 VanDerWaalsContact C-N 3.25Å; Q940-G942 PolarHBondContact O-N 3.35Å
943	F	95.3	Very high	94.6	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.031	19%	0.187	C	C	.	.			trans	-75.8	142	173	-72.7	-97.2	0	0	0	111.6	A901 H902 R905 N911 L913 L938 Q941 V945	A901-F943 HydrophobicContact CB-CE1 3.96Å; A901-F943 HydrophobicContact CB-CZ 4.01Å; A901-F943 VanDerWaalsContact O-CE1 3.28Å; A901-F943 WeakPolarHBondContact O-CE1 3.23Å; A901-F943 VanDerWaalsContact O-CZ 3.26Å; A901-F943 WeakPolarHBondContact O-CZ 3.19Å; H902-F943 AromaticContact CD2-CE2 3.91Å; R905-F943 HydrophobicContact CB-CE1 3.81Å; R905-F943 HydrophobicContact CB-CZ 3.7Å; R905-F943 HydrophobicContact CG-CZ 4.37Å; R905-F943 VanDerWaalsContact CZ-CE2 3.41Å; R905-F943 VanDerWaalsContact NH1-CE2 3.3Å; N911-F943 CarbonylContact O-C 3.42Å; N911-F943 WeakPolarHBondContact O-CA 3.15Å; N911-F943 WeakPolarHBondContact O-CB 3.47Å; N911-F943 VanDerWaalsContact O-CD1 3.27Å; N911-F943 WeakPolarHBondContact O-CD1 3.48Å; L913-F943 HydrophobicContact CB-CD1 4.12Å; L938-F943 HydrophobicContact CB-CB 4.14Å; L938-F943 HydrophobicContact CB-CD2 4.18Å; L938-F943 HydrophobicContact CB-CG 4.33Å; L938-F943 HydrophobicContact CD2-CD2 3.66Å; L938-F943 HydrophobicContact CD2-CE2 3.69Å; L938-F943 HydrophobicContact CD2-CG 4.15Å; L938-F943 HydrophobicContact CD2-CZ 4.24Å; L938-F943 WeakPolarHBondContact O-CB 3.33Å; L938-F943 WeakPolarHBondContact O-CD2 3.27Å; L938-F943 PolarHBondContact O-N 2.89Å; Q941-F943 HydrophobicContact CB-CD2 4.07Å; Q941-F943 HydrophobicContact CB-CE2 4.26Å; F943-V945 HydrophobicContact CB-CG2 3.8Å; F943-V945 PolarHBondContact O-N 2.76Å
944	V	95.4	Very high	94.4	Very high	25 Å²	25	31.5 Å²	31.5	15%	0.152	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	93.1	166.2	178.1	0	0	0	0	107.4	A824 N911 W912 L913 L946 A965	A824-V944 HydrophobicContact CB-CG1 3.49Å; A824-V944 VanDerWaalsContact CB-CG1 3.49Å; A824-V944 HydrophobicContact CB-CG2 4.15Å; N911-V944 PolarHBondContact O-N 2.89Å; W912-V944 CarbonylContact C-O 3.57Å; W912-V944 WeakPolarHBondContact CA-O 3.41Å; W912-V944 HydrophobicContact CD2-CB 4.04Å; W912-V944 HydrophobicContact CD2-CG1 3.68Å; W912-V944 HydrophobicContact CE3-CG1 3.94Å; W912-V944 HydrophobicContact CG-CB 3.94Å; W912-V944 HydrophobicContact CG-CG1 4.14Å; W912-V944 HydrophobicContact CH2-CG1 4.33Å; W912-V944 HydrophobicContact CZ2-CG1 4.03Å; W912-V944 HydrophobicContact CZ3-CG1 4.27Å; L913-V944 PolarHBondContact N-O 3.46Å; V944-L946 HydrophobicContact CG1-CD1 4.09Å; V944-A965 HydrophobicContact CG1-CB 3.52Å
945	V	96.1	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.4	-171.3	-177.6	0	0	0	0	111.4	L913 L915 A935 L938 V939 F943 C964 A965	L913-V945 CarbonylContact O-C 3.46Å; L913-V945 WeakPolarHBondContact O-CA 2.89Å; L915-V945 HydrophobicContact CB-CG1 3.71Å; L915-V945 HydrophobicContact CD2-CG1 4.04Å; A935-V945 HydrophobicContact CB-CG1 4.36Å; L938-V945 HydrophobicContact CB-CG2 3.75Å; V939-V945 HydrophobicContact CG2-CB 3.93Å; V939-V945 HydrophobicContact CG2-CG2 3.66Å; F943-V945 HydrophobicContact CB-CG2 3.8Å; F943-V945 PolarHBondContact O-N 2.76Å; V945-C964 CarbonylContact O-C 3.58Å; V945-C964 WeakPolarHBondContact O-CA 2.93Å; V945-C964 WeakPolarHBondContact O-CB 3.28Å; V945-A965 PolarHBondContact O-N 3.49Å
946	L	96.8	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	100.7	170	-74.3	73.7	0	0	0	107.4	I823 L856 L885 W912 L913 K914 L915 V944 A965 A966 M968	I823-L946 HydrophobicContact CD1-CD2 4.43Å; I823-L946 HydrophobicContact CG2-CD1 4.3Å; I823-L946 HydrophobicContact CG2-CD2 4.38Å; L856-L946 HydrophobicContact CD2-CD2 4.02Å; L885-L946 HydrophobicContact CD1-CD1 4.12Å; L885-L946 HydrophobicContact CD2-CD2 4.02Å; W912-L946 HydrophobicContact CE3-CD1 3.98Å; W912-L946 HydrophobicContact CZ3-CD1 4.11Å; L913-L946 PolarHBondContact O-N 3.49Å; K914-L946 CarbonylContact C-O 3.54Å; K914-L946 VanDerWaalsContact CA-O 3.23Å; K914-L946 WeakPolarHBondContact CA-O 3.33Å; L915-L946 PolarHBondContact N-O 3.32Å; V944-L946 HydrophobicContact CG1-CD1 4.09Å; L946-A965 HydrophobicContact CD1-CB 4.21Å; L946-A966 HydrophobicContact CD2-CB 4.27Å; L946-A966 HydrophobicContact CG-CB 4.06Å; L946-M968 VanDerWaalsContact C-CE 3.45Å; L946-M968 HydrophobicContact CB-CE 3.76Å; L946-M968 HydrophobicContact CB-CG 4.42Å; L946-M968 HydrophobicContact CB-SD 3.88Å; L946-M968 HydrophobicContact CD2-SD 4.24Å; L946-M968 WeakPolarHBondContact O-CE 3.41Å
947	P	95.9	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127	-175	33.3	-32.1	0	0	0	112.3	L915 T931 L959 C964 A966 M968	L915-P947 HydrophobicContact CB-CB 4.4Å; T931-P947 HydrophobicContact CG2-CB 3.89Å; P947-L959 HydrophobicContact CB-CD1 3.97Å; P947-L959 HydrophobicContact CB-CD2 3.98Å; P947-L959 HydrophobicContact CB-CG 4.48Å; P947-L959 HydrophobicContact CG-CB 3.97Å; P947-L959 HydrophobicContact CG-CD1 3.68Å; P947-L959 HydrophobicContact CG-CD2 3.93Å; P947-L959 HydrophobicContact CG-CG 4.06Å; P947-C964 HydrophobicContact CG-CB 4.03Å; P947-A966 WeakPolarHBondContact CD-O 3.24Å; P947-M968 VanDerWaalsContact O-CB 3.31Å; P947-M968 WeakPolarHBondContact O-CB 3.29Å; P947-M968 PolarHBondContact O-N 2.79Å
948	Y	94.4	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.2	163.8	169.5	-107.7	0	0	0	109.1	L915 E916 H918 L924 P926 L970 I974 D1000 A1001	L915-Y948 PolarHBondContact O-N 2.71Å; E916-Y948 HydrophobicContact CG-CD1 4.4Å; E916-Y948 HydrophobicContact CG-CG 4.45Å; H918-Y948 AromaticContact CE1-CD1 3.45Å; H918-Y948 VanDerWaalsContact CE1-CD1 3.45Å; H918-Y948 WeakPolarHBondContact CE1-CD1 3.41Å; H918-Y948 AromaticContact CE1-CE1 3.52Å; H918-Y948 AromaticContact ND1-CE1 3.9Å; L924-Y948 VanDerWaalsContact O-CE1 3.32Å; L924-Y948 WeakPolarHBondContact O-CE1 3.33Å; L924-Y948 PolarHBondContact O-OH 2.97Å; P926-Y948 HydrophobicContact CB-CD1 3.7Å; P926-Y948 HydrophobicContact CB-CE1 3.77Å; P926-Y948 WeakPolarHBondContact CB-O 3.43Å; P926-Y948 VanDerWaalsContact CD-CE1 3.43Å; P926-Y948 HydrophobicContact CG-CD1 3.92Å; P926-Y948 HydrophobicContact CG-CE1 3.63Å; Y948-L970 HydrophobicContact CE2-CB 3.75Å; Y948-I974 HydrophobicContact CD1-CD1 4.08Å; Y948-I974 HydrophobicContact CD2-CD1 4.26Å; Y948-I974 HydrophobicContact CE1-CD1 3.45Å; Y948-I974 VanDerWaalsContact CE1-CD1 3.45Å; Y948-I974 HydrophobicContact CE1-CG1 4.29Å; Y948-I974 HydrophobicContact CE2-CD1 3.69Å; Y948-I974 HydrophobicContact CE2-CG1 3.84Å; Y948-I974 HydrophobicContact CG-CD1 4.43Å; Y948-I974 WeakPolarHBondContact OH-CD1 3.42Å; Y948-I974 WeakPolarHBondContact OH-CG1 3.48Å; Y948-D1000 HydrophobicContact CD2-CB 4.02Å; Y948-D1000 VanDerWaalsContact CD2-OD2 3.3Å; Y948-D1000 WeakPolarHBondContact CD2-OD2 3.19Å; Y948-D1000 HydrophobicContact CE2-CB 4.44Å; Y948-A1001 HydrophobicContact CE2-CB 3.94Å
949	C	94.2	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	164	-169.5	59.9	0	0	0	0	112.4	P926 L955 L959 M968 P969 L970	P926-C949 VanDerWaalsContact CG-CA 3.49Å; C949-L955 HydrophobicContact CB-CD2 3.82Å; C949-L955 HydrophobicContact CB-CG 4.48Å; C949-L959 HydrophobicContact CB-CD1 3.78Å; C949-M968 PolarHBondContact N-O 3.36Å; C949-P969 WeakPolarHBondContact O-CA 3.21Å; C949-L970 PolarHBondContact O-N 3.47Å
950	G	92.1	Very high	93.2	Very high	21 Å²	21	31.1 Å²	31.1	22%	0.216	17%	0.171	C	C	.	.			trans	-61.7	155.1	170	0	0	0	0	0	110.6	P926 D952	P926-G950 VanDerWaalsContact CG-N 3.3Å; G950-D952 PolarHBondContact O-N 3.44Å
951	A	92	Very high	92.9	Very high	17 Å²	17	28.7 Å²	28.7	14%	0.14	16%	0.159	C	C	.	.	S	Bend	trans	-72.8	63.5	169.4	0	0	0	0	0	110.8	P969 T982 M985 L986 I989	A951-P969 HydrophobicContact CB-CB 4.38Å; A951-T982 VanDerWaalsContact CB-CB 3.49Å; A951-T982 HydrophobicContact CB-CG2 3.82Å; A951-M985 HydrophobicContact CB-CB 4.01Å; A951-M985 WeakPolarHBondContact O-CB 3.39Å; A951-M985 WeakPolarHBondContact O-CG 3.44Å; A951-L986 HydrophobicContact CB-CD2 4.43Å; A951-I989 HydrophobicContact CB-CD1 4.29Å
952	D	93	Very high	92.8	Very high	71 Å²	71	27 Å²	27	38%	0.38	15%	0.154	S	C	.	.			trans	-114.1	112	175.7	177.4	-11.2	0	0	0	108.7	G950 V954 L955 C956	G950-D952 PolarHBondContact O-N 3.44Å; D952-V954 VanDerWaalsContact C-N 3.25Å; D952-V954 PolarHBondContact O-N 3.29Å; D952-V954 WeakPolarHBondContact OD1-CB 3.41Å; D952-V954 PolarHBondContact OD1-N 3.43Å; D952-L955 HydrophobicContact CB-CB 3.95Å; D952-L955 PolarHBondContact O-N 3.02Å; D952-L955 PolarHBondContact OD1-N 3.28Å; D952-C956 PolarHBondContact O-N 2.84Å; D952-C956 PolarHBondContact O-SG 3.22Å
953	P	89.1	Confident	92.8	Very high	17 Å²	17	26.8 Å²	26.8	11%	0.11	15%	0.152	C	C	.	.	H	α-helix	trans	-54.7	-36.1	178.5	-24.7	32.2	0	0	0	114.6	K957 M985 I988 I989	P953-K957 PolarHBondContact O-N 2.85Å; P953-M985 HydrophobicContact CG-SD 4.47Å; P953-I988 HydrophobicContact CB-CG2 3.79Å; P953-I988 HydrophobicContact CG-CB 3.98Å; P953-I988 HydrophobicContact CG-CG2 3.61Å; P953-I989 HydrophobicContact CB-CG1 4.13Å; P953-I989 HydrophobicContact CG-CG1 4.01Å
954	V	90.6	Very high	92.8	Very high	66 Å²	66	26.6 Å²	26.6	40%	0.4	15%	0.152	S	C	.	.	H	α-helix	trans	-71.5	-43.3	-178	178.4	0	0	0	0	110.5	D952 K957 R958 W1303	D952-V954 VanDerWaalsContact C-N 3.25Å; D952-V954 PolarHBondContact O-N 3.29Å; D952-V954 WeakPolarHBondContact OD1-CB 3.41Å; D952-V954 PolarHBondContact OD1-N 3.43Å; V954-K957 PolarHBondContact O-N 3.37Å; V954-R958 WeakPolarHBondContact O-CG 3.2Å; V954-R958 PolarHBondContact O-N 3.41Å; V954-W1303 HydrophobicContact CG1-CH2 3.88Å; V954-W1303 HydrophobicContact CG1-CZ3 4.45Å
955	L	93.3	Very high	92.7	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.063	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-45.2	175.9	177.7	64.7	0	0	0	111.3	P928 L932 C949 D952 K957 R958 L959	P928-L955 HydrophobicContact CB-CD1 4.08Å; P928-L955 HydrophobicContact CB-CD2 3.56Å; P928-L955 HydrophobicContact CB-CG 4.4Å; P928-L955 WeakPolarHBondContact O-CD1 3.38Å; L932-L955 HydrophobicContact CB-CD1 4.43Å; C949-L955 HydrophobicContact CB-CD2 3.82Å; C949-L955 HydrophobicContact CB-CG 4.48Å; D952-L955 HydrophobicContact CB-CB 3.95Å; D952-L955 PolarHBondContact O-N 3.02Å; D952-L955 PolarHBondContact OD1-N 3.28Å; L955-K957 VanDerWaalsContact C-N 3.28Å; L955-K957 PolarHBondContact O-N 3.19Å; L955-R958 PolarHBondContact O-N 3.04Å; L955-R958 VanDerWaalsContact O-N 3.15Å; L955-L959 HydrophobicContact CD1-CD1 4.12Å; L955-L959 HydrophobicContact CD1-CG 4.25Å; L955-L959 HydrophobicContact CD2-CD1 4.46Å; L955-L959 HydrophobicContact CG-CD1 3.82Å; L955-L959 HydrophobicContact CG-CG 4.39Å; L955-L959 WeakPolarHBondContact O-CG 3.36Å; L955-L959 PolarHBondContact O-N 2.89Å
956	C	93.1	Very high	92.6	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-57.2	-43.8	177.3	-68.1	0	0	0	0	111	D952 L959 E960 V967 I989	D952-C956 PolarHBondContact O-N 2.84Å; D952-C956 PolarHBondContact O-SG 3.22Å; C956-L959 PolarHBondContact O-N 2.9Å; C956-E960 WeakPolarHBondContact O-CB 3.18Å; C956-E960 PolarHBondContact O-N 3.2Å; C956-V967 HydrophobicContact CB-CB 4.32Å; C956-V967 HydrophobicContact CB-CG1 4.2Å; C956-V967 HydrophobicContact CB-CG2 4.24Å; C956-V967 WeakPolarHBondContact O-CG1 3.3Å; C956-I989 HydrophobicContact CB-CG1 4.34Å; C956-I989 HydrophobicContact CB-CG2 4.11Å
957	K	87.7	Confident	92.5	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-40	175.3	-82.6	-68.7	173.6	-165.6	0	113.9	P953 V954 L955 L959 E960 E961 Q992 Q1300 W1303	P953-K957 PolarHBondContact O-N 2.85Å; V954-K957 PolarHBondContact O-N 3.37Å; L955-K957 VanDerWaalsContact C-N 3.28Å; L955-K957 PolarHBondContact O-N 3.19Å; K957-L959 VanDerWaalsContact C-N 3.34Å; K957-L959 PolarHBondContact O-N 3.3Å; K957-E960 IonicContact NZ-OE1 3.6Å; K957-E960 PolarHBondContact NZ-OE1 2.99Å; K957-E960 IonicContact NZ-OE2 3.51Å; K957-E960 PolarHBondContact NZ-OE2 3.44Å; K957-E960 WeakPolarHBondContact O-CB 3.28Å; K957-E960 PolarHBondContact O-N 2.93Å; K957-E961 WeakPolarHBondContact O-CB 3.43Å; K957-E961 VanDerWaalsContact O-CG 3.32Å; K957-E961 WeakPolarHBondContact O-CG 3.37Å; K957-E961 PolarHBondContact O-N 2.75Å; K957-Q992 WeakPolarHBondContact CE-O 3.32Å; K957-Q992 PolarHBondContact NZ-O 3.32Å; K957-Q1300 VanDerWaalsContact CE-O 3.31Å; K957-Q1300 WeakPolarHBondContact CE-O 3.43Å; K957-Q1300 PolarHBondContact NZ-O 3.39Å; K957-Q1300 VanDerWaalsContact NZ-O 3.08Å; K957-W1303 HydrophobicContact CB-CZ2 4.28Å
958	R	91.9	Very high	92.6	Very high	118 Å²	118	26.1 Å²	26.1	45%	0.445	15%	0.15	S	C	.	.	H	α-helix	trans	-65.6	-36.9	174.9	-71.5	-178.6	179	-145.5	-0.8	112.8	L932 V954 L955 E961 V962	L932-R958 HydrophobicContact CD1-CB 3.84Å; L932-R958 HydrophobicContact CD2-CB 4.2Å; V954-R958 WeakPolarHBondContact O-CG 3.2Å; V954-R958 PolarHBondContact O-N 3.41Å; L955-R958 PolarHBondContact O-N 3.04Å; L955-R958 VanDerWaalsContact O-N 3.15Å; R958-E961 PolarHBondContact O-N 2.98Å; R958-V962 WeakPolarHBondContact O-CB 3.39Å; R958-V962 WeakPolarHBondContact O-CG2 3.16Å; R958-V962 PolarHBondContact O-N 3.02Å
959	L	94.4	Very high	92.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-40.2	175.9	-70.5	165.3	0	0	0	111.3	T931 L932 A935 P947 C949 L955 C956 K957 G963 C964 V967	T931-L959 HydrophobicContact CG2-CD2 4.25Å; L932-L959 HydrophobicContact CD1-CD2 4.05Å; L932-L959 HydrophobicContact CD1-CG 4.42Å; A935-L959 HydrophobicContact CB-CD2 3.82Å; P947-L959 HydrophobicContact CB-CD1 3.97Å; P947-L959 HydrophobicContact CB-CD2 3.98Å; P947-L959 HydrophobicContact CB-CG 4.48Å; P947-L959 HydrophobicContact CG-CB 3.97Å; P947-L959 HydrophobicContact CG-CD1 3.68Å; P947-L959 HydrophobicContact CG-CD2 3.93Å; P947-L959 HydrophobicContact CG-CG 4.06Å; C949-L959 HydrophobicContact CB-CD1 3.78Å; L955-L959 HydrophobicContact CD1-CD1 4.12Å; L955-L959 HydrophobicContact CD1-CG 4.25Å; L955-L959 HydrophobicContact CD2-CD1 4.46Å; L955-L959 HydrophobicContact CG-CD1 3.82Å; L955-L959 HydrophobicContact CG-CG 4.39Å; L955-L959 WeakPolarHBondContact O-CG 3.36Å; L955-L959 PolarHBondContact O-N 2.89Å; C956-L959 PolarHBondContact O-N 2.9Å; K957-L959 VanDerWaalsContact C-N 3.34Å; K957-L959 PolarHBondContact O-N 3.3Å; L959-G963 PolarHBondContact O-N 3.43Å; L959-C964 HydrophobicContact CB-CB 4.47Å; L959-C964 WeakPolarHBondContact O-CB 3.32Å; L959-C964 PolarHBondContact O-N 3.11Å; L959-C964 PolarHBondContact O-SG 3.14Å; L959-V967 HydrophobicContact CB-CG1 4.13Å
960	E	91	Very high	92.6	Very high	26 Å²	26	26.8 Å²	26.8	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-50.3	170.1	179.6	-170.2	118.7	0	0	111.7	C956 K957 V962 G963 A993 T994 V995	C956-E960 WeakPolarHBondContact O-CB 3.18Å; C956-E960 PolarHBondContact O-N 3.2Å; K957-E960 IonicContact NZ-OE1 3.6Å; K957-E960 PolarHBondContact NZ-OE1 2.99Å; K957-E960 IonicContact NZ-OE2 3.51Å; K957-E960 PolarHBondContact NZ-OE2 3.44Å; K957-E960 WeakPolarHBondContact O-CB 3.28Å; K957-E960 PolarHBondContact O-N 2.93Å; E960-V962 VanDerWaalsContact C-N 3.31Å; E960-V962 PolarHBondContact O-N 3.34Å; E960-G963 WeakPolarHBondContact O-CA 3.27Å; E960-G963 PolarHBondContact O-N 3.17Å; E960-A993 WeakPolarHBondContact OE2-CA 3.18Å; E960-T994 PolarHBondContact OE1-OG1 2.92Å; E960-T994 PolarHBondContact OE2-N 3.49Å; E960-T994 PolarHBondContact OE2-OG1 2.91Å; E960-V995 HydrophobicContact CB-CG2 4.05Å; E960-V995 HydrophobicContact CG-CB 4.47Å; E960-V995 HydrophobicContact CG-CG1 3.88Å; E960-V995 HydrophobicContact CG-CG2 3.88Å
961	E	87.7	Confident	92.5	Very high	97 Å²	97	25.8 Å²	25.8	45%	0.453	14%	0.143	S	C	.	.	H	α-helix	trans	-60	-37.7	179	-76.5	168.5	-174.4	0	0	112.9	K957 R958 G963 W1303	K957-E961 WeakPolarHBondContact O-CB 3.43Å; K957-E961 VanDerWaalsContact O-CG 3.32Å; K957-E961 WeakPolarHBondContact O-CG 3.37Å; K957-E961 PolarHBondContact O-N 2.75Å; R958-E961 PolarHBondContact O-N 2.98Å; E961-G963 PolarHBondContact O-N 3.49Å; E961-W1303 PolarHBondContact OE1-NE1 3.25Å
962	V	91.7	Very high	92.4	Very high	36 Å²	36	25 Å²	25	22%	0.218	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.5	173	156	0	0	0	0	112.2	L932 A935 E936 V939 R958 E960	L932-V962 HydrophobicContact CD1-CG2 3.79Å; A935-V962 VanDerWaalsContact C-CG1 3.49Å; A935-V962 HydrophobicContact CB-CG1 3.92Å; E936-V962 VanDerWaalsContact CA-CG1 3.45Å; E936-V962 HydrophobicContact CB-CG1 4.2Å; E936-V962 HydrophobicContact CB-CG2 4.16Å; E936-V962 HydrophobicContact CG-CG2 4.5Å; V939-V962 HydrophobicContact CB-CG1 4.32Å; V939-V962 WeakPolarHBondContact CG1-O 3.31Å; V939-V962 HydrophobicContact CG2-CG1 4.07Å; R958-V962 WeakPolarHBondContact O-CB 3.39Å; R958-V962 WeakPolarHBondContact O-CG2 3.16Å; R958-V962 PolarHBondContact O-N 3.02Å; E960-V962 VanDerWaalsContact C-N 3.31Å; E960-V962 PolarHBondContact O-N 3.34Å
963	G	92.3	Very high	91.9	Very high	41 Å²	41	22.9 Å²	22.9	42%	0.423	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	23.3	178.6	0	0	0	0	0	113.8	L959 E960 E961	L959-G963 PolarHBondContact O-N 3.43Å; E960-G963 WeakPolarHBondContact O-CA 3.27Å; E960-G963 PolarHBondContact O-N 3.17Å; E961-G963 PolarHBondContact O-N 3.49Å
964	C	95.5	Very high	91.5	Very high	2 Å²	2	24 Å²	24	1%	0.014	13%	0.132	C	C	.	.			trans	-60.5	139.2	168.1	-64.1	0	0	0	0	109.9	V945 P947 L959 A966	V945-C964 CarbonylContact O-C 3.58Å; V945-C964 WeakPolarHBondContact O-CA 2.93Å; V945-C964 WeakPolarHBondContact O-CB 3.28Å; P947-C964 HydrophobicContact CG-CB 4.03Å; L959-C964 HydrophobicContact CB-CB 4.47Å; L959-C964 WeakPolarHBondContact O-CB 3.32Å; L959-C964 PolarHBondContact O-N 3.11Å; L959-C964 PolarHBondContact O-SG 3.14Å; C964-A966 VanDerWaalsContact C-N 3.32Å; C964-A966 PolarHBondContact O-N 2.91Å
965	A	94.1	Very high	90.5	Very high	15 Å²	15	22.2 Å²	22.2	12%	0.124	13%	0.127	C	C	.	.	S	Bend	trans	-78.6	-17.2	-172.5	0	0	0	0	0	114.3	I823 A824 V944 V945 L946	I823-A965 HydrophobicContact CG2-CB 3.81Å; A824-A965 HydrophobicContact CB-CB 3.86Å; V944-A965 HydrophobicContact CG1-CB 3.52Å; V945-A965 PolarHBondContact O-N 3.49Å; L946-A965 HydrophobicContact CD1-CB 4.21Å
966	A	94.5	Very high	89.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-154.7	168.4	172.8	0	0	0	0	0	107.3	I823 L946 P947 C964 P996 V998	I823-A966 HydrophobicContact CD1-CB 4.4Å; I823-A966 HydrophobicContact CG2-CB 4.3Å; L946-A966 HydrophobicContact CD2-CB 4.27Å; L946-A966 HydrophobicContact CG-CB 4.06Å; P947-A966 WeakPolarHBondContact CD-O 3.24Å; C964-A966 VanDerWaalsContact C-N 3.32Å; C964-A966 PolarHBondContact O-N 2.91Å; A966-P996 VanDerWaalsContact CA-O 3.29Å; A966-P996 WeakPolarHBondContact CA-O 3.3Å; A966-P996 HydrophobicContact CB-CB 4.26Å; A966-P996 VanDerWaalsContact CB-O 3.25Å; A966-P996 WeakPolarHBondContact CB-O 3.5Å; A966-V998 HydrophobicContact CB-CG2 4.39Å
967	V	95.1	Very high	89.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-118.1	140.7	166	-68.7	0	0	0	0	109.3	C956 L959 P969 I989 A993 V995 P996 V997 V998	C956-V967 HydrophobicContact CB-CB 4.32Å; C956-V967 HydrophobicContact CB-CG1 4.2Å; C956-V967 HydrophobicContact CB-CG2 4.24Å; C956-V967 WeakPolarHBondContact O-CG1 3.3Å; L959-V967 HydrophobicContact CB-CG1 4.13Å; V967-P969 VanDerWaalsContact C-CD 3.43Å; V967-P969 VanDerWaalsContact O-CD 3.28Å; V967-P969 WeakPolarHBondContact O-CD 2.78Å; V967-I989 HydrophobicContact CG2-CG2 4.25Å; V967-A993 HydrophobicContact CG2-CB 4.45Å; V967-V995 HydrophobicContact CG1-CG2 4.14Å; V967-V995 HydrophobicContact CG2-CG2 4.39Å; V967-P996 PolarHBondContact N-O 2.76Å; V967-V997 HydrophobicContact CG2-CG2 4.01Å; V967-V998 PolarHBondContact O-N 3.1Å
968	M	96.3	Very high	89.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	71.9	-176.1	-48.3	-168.2	-66.5	0	0	112.1	K914 L946 P947 C949 V998 D1000 L1021	K914-M968 HydrophobicContact CB-CE 4.35Å; K914-M968 HydrophobicContact CD-CE 3.88Å; K914-M968 HydrophobicContact CG-CE 3.69Å; L946-M968 VanDerWaalsContact C-CE 3.45Å; L946-M968 HydrophobicContact CB-CE 3.76Å; L946-M968 HydrophobicContact CB-CG 4.42Å; L946-M968 HydrophobicContact CB-SD 3.88Å; L946-M968 HydrophobicContact CD2-SD 4.24Å; L946-M968 WeakPolarHBondContact O-CE 3.41Å; P947-M968 VanDerWaalsContact O-CB 3.31Å; P947-M968 WeakPolarHBondContact O-CB 3.29Å; P947-M968 PolarHBondContact O-N 2.79Å; C949-M968 PolarHBondContact N-O 3.36Å; M968-V998 WeakPolarHBondContact CA-O 3.22Å; M968-V998 HydrophobicContact CG-CB 3.98Å; M968-V998 HydrophobicContact SD-CG1 4.5Å; M968-D1000 HydrophobicContact CB-CB 4.01Å; M968-L1021 HydrophobicContact SD-CD1 4.22Å
969	P	95.8	Very high	88.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.7	179	30.9	-36.3	0	0	0	111.1	C949 A951 V967 L986 I989 V997 D1000	C949-P969 WeakPolarHBondContact O-CA 3.21Å; A951-P969 HydrophobicContact CB-CB 4.38Å; V967-P969 VanDerWaalsContact C-CD 3.43Å; V967-P969 VanDerWaalsContact O-CD 3.28Å; V967-P969 WeakPolarHBondContact O-CD 2.78Å; P969-L986 HydrophobicContact CB-CD2 3.84Å; P969-L986 HydrophobicContact CG-CD2 3.62Å; P969-I989 HydrophobicContact CB-CD1 3.9Å; P969-I989 HydrophobicContact CG-CD1 4.26Å; P969-I989 HydrophobicContact CG-CG2 4.26Å; P969-V997 HydrophobicContact CG-CG1 3.87Å; P969-D1000 PolarHBondContact O-N 3.15Å; P969-D1000 VanDerWaalsContact O-N 3.08Å
970	L	93.1	Very high	88.7	Confident	14 Å²	14	26.4 Å²	26.4	7%	0.073	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-73.1	131.5	178.1	69.7	102.7	0	0	0	112.9	L925 P926 Y948 C949 T982 D1000 A1001	L925-L970 HydrophobicContact CD2-CD2 4.24Å; P926-L970 HydrophobicContact CG-CD2 4.15Å; Y948-L970 HydrophobicContact CE2-CB 3.75Å; C949-L970 PolarHBondContact O-N 3.47Å; L970-T982 HydrophobicContact CD1-CG2 4.21Å; L970-T982 PolarHBondContact O-OG1 3.15Å; L970-D1000 CarbonylContact C-O 3.51Å; L970-D1000 WeakPolarHBondContact CA-O 3.37Å; L970-A1001 HydrophobicContact CB-CB 4.06Å
971	G	90.6	Very high	88.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-72.9	-40.5	169.4	0	0	0	0	0	113.1	G979 L980 E981 T982 D1000	G971-G979 CarbonylContact C-O 3.55Å; G971-L980 CarbonylContact O-C 3.55Å; G971-E981 PolarHBondContact O-N 2.87Å; G971-T982 PolarHBondContact O-N 3.26Å; G971-T982 VanDerWaalsContact O-N 3.11Å; G971-T982 PolarHBondContact O-OG1 3.37Å; G971-T982 VanDerWaalsContact O-OG1 3.1Å; G971-D1000 PolarHBondContact N-O 3.38Å
972	A	88.5	Confident	88.8	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.008	17%	0.169	C	C	.	.	S	Bend	trans	-157	171.6	169.1	0	0	0	0	0	107.3	S976 Q978 E981 A1001 G1002	A972-S976 WeakPolarHBondContact CB-OG 3.35Å; A972-Q978 HydrophobicContact CB-CB 4.04Å; A972-E981 HydrophobicContact CB-CB 4.23Å; A972-E981 HydrophobicContact CB-CG 4.13Å; A972-A1001 CarbonylContact O-C 3.38Å; A972-A1001 WeakPolarHBondContact O-CB 3.22Å; A972-G1002 PolarHBondContact O-N 3.4Å
973	P	84.1	Confident	88.6	Confident	27 Å²	27	32.6 Å²	32.6	18%	0.175	18%	0.182	C	C	.	.	S	Bend	trans	-51.3	144.5	-177.9	-27.6	35.5	0	0	0	113.2	L925 G975 S976	L925-P973 HydrophobicContact CD2-CB 4.4Å; L925-P973 HydrophobicContact CD2-CG 4.35Å; P973-G975 PolarHBondContact O-N 2.93Å; P973-S976 WeakPolarHBondContact O-CB 3.31Å; P973-S976 PolarHBondContact O-N 2.93Å; P973-S976 PolarHBondContact O-OG 3.45Å
974	I	79.9	Confident	88.2	Confident	39 Å²	39	33.7 Å²	33.7	20%	0.2	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	124.2	-176.1	-75.7	165.3	0	0	0	110.8	L924 Y948 S976 A1001	L924-I974 HydrophobicContact CB-CB 4.22Å; L924-I974 HydrophobicContact CB-CD1 4.26Å; L924-I974 HydrophobicContact CD1-CB 4.38Å; L924-I974 HydrophobicContact CD1-CG2 4.05Å; Y948-I974 HydrophobicContact CD1-CD1 4.08Å; Y948-I974 HydrophobicContact CD2-CD1 4.26Å; Y948-I974 HydrophobicContact CE1-CD1 3.45Å; Y948-I974 VanDerWaalsContact CE1-CD1 3.45Å; Y948-I974 HydrophobicContact CE1-CG1 4.29Å; Y948-I974 HydrophobicContact CE2-CD1 3.69Å; Y948-I974 HydrophobicContact CE2-CG1 3.84Å; Y948-I974 HydrophobicContact CG-CD1 4.43Å; Y948-I974 WeakPolarHBondContact OH-CD1 3.42Å; Y948-I974 WeakPolarHBondContact OH-CG1 3.48Å; I974-S976 VanDerWaalsContact C-N 3.28Å; I974-S976 PolarHBondContact O-N 3.46Å; I974-A1001 HydrophobicContact CB-CB 4.22Å; I974-A1001 HydrophobicContact CG1-CB 3.44Å; I974-A1001 VanDerWaalsContact CG1-CB 3.44Å
975	G	69.2	Low	88	Confident	29 Å²	29	38.2 Å²	38.2	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	9.2	177.6	0	0	0	0	0	115.6	P973 N977	P973-G975 PolarHBondContact O-N 2.93Å; G975-N977 VanDerWaalsContact C-N 3.34Å
976	S	81.2	Confident	87.8	Confident	38 Å²	38	37.5 Å²	37.5	27%	0.266	20%	0.203	S	C	.	.			trans	-70	-27.5	172.9	60.9	0	0	0	0	113.8	A972 P973 I974 Q978	A972-S976 WeakPolarHBondContact CB-OG 3.35Å; P973-S976 WeakPolarHBondContact O-CB 3.31Å; P973-S976 PolarHBondContact O-N 2.93Å; P973-S976 PolarHBondContact O-OG 3.45Å; I974-S976 VanDerWaalsContact C-N 3.28Å; I974-S976 PolarHBondContact O-N 3.46Å; S976-Q978 PolarHBondContact O-N 3.41Å; S976-Q978 VanDerWaalsContact O-N 3.1Å
977	N	80.8	Confident	87.4	Confident	62 Å²	62	40.7 Å²	40.7	33%	0.332	22%	0.218	S	C	.	.			trans	55.9	17.4	-173.4	-62.7	-21	0	0	0	114.6	G975 G979 G1002	G975-N977 VanDerWaalsContact C-N 3.34Å; N977-G979 VanDerWaalsContact C-N 3.26Å; N977-G979 PolarHBondContact O-N 2.9Å; N977-G1002 CarbonylContact C-O 3.54Å; N977-G1002 VanDerWaalsContact CA-O 3.25Å; N977-G1002 WeakPolarHBondContact CA-O 3.38Å
978	Q	84.2	Confident	86.8	Confident	107 Å²	107	43.7 Å²	43.7	50%	0.5	23%	0.233	S	C	.	.			trans	-75.4	-6.6	-175.9	-73.5	172.4	-50.3	0	0	114.6	A972 S976 E981 G1002	A972-Q978 HydrophobicContact CB-CB 4.04Å; S976-Q978 PolarHBondContact O-N 3.41Å; S976-Q978 VanDerWaalsContact O-N 3.1Å; Q978-E981 HydrophobicContact CB-CG 4.14Å; Q978-E981 VanDerWaalsContact CD-OE1 3.24Å; Q978-E981 PolarHBondContact NE2-OE1 2.81Å; Q978-E981 PolarHBondContact OE1-OE1 2.95Å; Q978-G1002 PolarHBondContact N-O 2.78Å
979	G	87.5	Confident	86.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.01	23%	0.234	C	C	.	.			trans	89.5	-138.2	-176.8	0	0	0	0	0	113.1	G971 N977 G1002 H1008	G971-G979 CarbonylContact C-O 3.55Å; N977-G979 VanDerWaalsContact C-N 3.26Å; N977-G979 PolarHBondContact O-N 2.9Å; G979-G1002 WeakPolarHBondContact CA-O 3.27Å; G979-G1002 PolarHBondContact N-O 2.86Å; G979-G1002 CarbonylContact O-C 3.57Å; G979-H1008 VanDerWaalsContact CA-CE1 3.5Å; G979-H1008 WeakPolarHBondContact CA-CE1 3.44Å; G979-H1008 WeakPolarHBondContact CA-ND1 3.29Å
980	L	89.8	Confident	86	Confident	20 Å²	20	45 Å²	45	11%	0.105	24%	0.24	C	C	.	.			trans	-105.3	60.5	-172.2	-57.6	170.4	0	0	0	111	G971 T982 R983 L986 V999 I1003 Q1011 A1012 M1015	G971-L980 CarbonylContact O-C 3.55Å; L980-T982 PolarHBondContact O-N 2.88Å; L980-R983 WeakPolarHBondContact O-CB 3.42Å; L980-R983 PolarHBondContact O-N 3.04Å; L980-R983 VanDerWaalsContact O-N 3.13Å; L980-L986 HydrophobicContact CB-CD1 4.48Å; L980-L986 HydrophobicContact CD2-CD1 3.87Å; L980-V999 HydrophobicContact CD2-CG1 3.89Å; L980-I1003 HydrophobicContact CD2-CG1 4.5Å; L980-Q1011 HydrophobicContact CD1-CB 3.73Å; L980-A1012 HydrophobicContact CD1-CB 4.25Å; L980-A1012 HydrophobicContact CD2-CB 4.13Å; L980-M1015 HydrophobicContact CD1-CE 3.64Å; L980-M1015 HydrophobicContact CD2-CE 4.47Å
981	E	90.1	Very high	85.3	Confident	124 Å²	124	50.3 Å²	50.3	58%	0.579	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.5	178.9	-69.7	-165.1	162.7	0	0	112.6	G971 A972 Q978 R983	G971-E981 PolarHBondContact O-N 2.87Å; A972-E981 HydrophobicContact CB-CB 4.23Å; A972-E981 HydrophobicContact CB-CG 4.13Å; Q978-E981 HydrophobicContact CB-CG 4.14Å; Q978-E981 VanDerWaalsContact CD-OE1 3.24Å; Q978-E981 PolarHBondContact NE2-OE1 2.81Å; Q978-E981 PolarHBondContact OE1-OE1 2.95Å; E981-R983 VanDerWaalsContact C-N 3.34Å; E981-R983 PolarHBondContact O-N 3.5Å
982	T	89.9	Confident	84.8	Confident	36 Å²	36	54 Å²	54	22%	0.221	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	18.4	179.1	59.6	0	0	0	0	114.5	A951 L970 G971 L980 A984 M985 L986	A951-T982 VanDerWaalsContact CB-CB 3.49Å; A951-T982 HydrophobicContact CB-CG2 3.82Å; L970-T982 HydrophobicContact CD1-CG2 4.21Å; L970-T982 PolarHBondContact O-OG1 3.15Å; G971-T982 PolarHBondContact O-N 3.26Å; G971-T982 VanDerWaalsContact O-N 3.11Å; G971-T982 PolarHBondContact O-OG1 3.37Å; G971-T982 VanDerWaalsContact O-OG1 3.1Å; L980-T982 PolarHBondContact O-N 2.88Å; T982-A984 PolarHBondContact O-N 3.49Å; T982-A984 VanDerWaalsContact O-N 3.14Å; T982-M985 PolarHBondContact O-N 3.13Å; T982-L986 PolarHBondContact O-N 3.26Å; T982-L986 VanDerWaalsContact O-N 3.07Å
983	R	88.7	Confident	84.6	Confident	128 Å²	128	54.6 Å²	54.6	48%	0.483	29%	0.287	S	S	.	.	H	α-helix	trans	-39.7	-54.7	-172.7	-171.9	-179.8	174.9	144.1	3	115.6	L980 E981 M985 L986 E987 M1015	L980-R983 WeakPolarHBondContact O-CB 3.42Å; L980-R983 PolarHBondContact O-N 3.04Å; L980-R983 VanDerWaalsContact O-N 3.13Å; E981-R983 VanDerWaalsContact C-N 3.34Å; E981-R983 PolarHBondContact O-N 3.5Å; R983-M985 VanDerWaalsContact C-N 3.27Å; R983-M985 PolarHBondContact O-N 2.66Å; R983-L986 WeakPolarHBondContact O-CB 3.44Å; R983-L986 PolarHBondContact O-N 3.46Å; R983-L986 VanDerWaalsContact O-N 3.12Å; R983-E987 IonicContact CZ-OE1 3.64Å; R983-E987 IonicContact NE-OE1 2.75Å; R983-E987 PolarHBondContact NE-OE1 3.3Å; R983-E987 IonicContact NH2-OE1 3.89Å; R983-E987 WeakPolarHBondContact O-CG 3.46Å; R983-E987 PolarHBondContact O-N 3.09Å; R983-M1015 HydrophobicContact CG-SD 3.54Å; R983-M1015 VanDerWaalsContact CG-SD 3.54Å
984	A	82.5	Confident	84.4	Confident	65 Å²	65	55.5 Å²	55.5	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-34.1	-175.8	0	0	0	0	0	112.9	T982 I988	T982-A984 PolarHBondContact O-N 3.49Å; T982-A984 VanDerWaalsContact O-N 3.14Å; A984-I988 WeakPolarHBondContact O-CG1 3.21Å; A984-I988 PolarHBondContact O-N 2.91Å
985	M	91.7	Very high	84.8	Confident	96 Å²	96	54.9 Å²	54.9	47%	0.473	29%	0.29	S	S	.	.	H	α-helix	trans	-76.4	-37.2	175.9	-60.8	-60.2	177.8	0	0	111.3	A951 P953 T982 R983 E987 I988 I989	A951-M985 HydrophobicContact CB-CB 4.01Å; A951-M985 WeakPolarHBondContact O-CB 3.39Å; A951-M985 WeakPolarHBondContact O-CG 3.44Å; P953-M985 HydrophobicContact CG-SD 4.47Å; T982-M985 PolarHBondContact O-N 3.13Å; R983-M985 VanDerWaalsContact C-N 3.27Å; R983-M985 PolarHBondContact O-N 2.66Å; M985-E987 VanDerWaalsContact C-N 3.34Å; M985-I988 PolarHBondContact O-N 2.96Å; M985-I988 HydrophobicContact SD-CD1 4.3Å; M985-I989 WeakPolarHBondContact O-CD1 3.49Å; M985-I989 VanDerWaalsContact O-CG1 3.3Å; M985-I989 WeakPolarHBondContact O-CG1 3.44Å; M985-I989 PolarHBondContact O-N 2.91Å
986	L	90.8	Very high	85.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-43.4	172.9	-67.3	174.3	0	0	0	111.3	A951 P969 L980 T982 R983 I988 I989 I990 V999 M1015	A951-L986 HydrophobicContact CB-CD2 4.43Å; P969-L986 HydrophobicContact CB-CD2 3.84Å; P969-L986 HydrophobicContact CG-CD2 3.62Å; L980-L986 HydrophobicContact CB-CD1 4.48Å; L980-L986 HydrophobicContact CD2-CD1 3.87Å; T982-L986 PolarHBondContact O-N 3.26Å; T982-L986 VanDerWaalsContact O-N 3.07Å; R983-L986 WeakPolarHBondContact O-CB 3.44Å; R983-L986 PolarHBondContact O-N 3.46Å; R983-L986 VanDerWaalsContact O-N 3.12Å; L986-I988 VanDerWaalsContact C-N 3.31Å; L986-I988 PolarHBondContact O-N 3.2Å; L986-I989 PolarHBondContact O-N 3.42Å; L986-I990 HydrophobicContact CB-CD1 4.44Å; L986-I990 VanDerWaalsContact O-CB 3.32Å; L986-I990 WeakPolarHBondContact O-CB 3.42Å; L986-I990 WeakPolarHBondContact O-CD1 3.28Å; L986-I990 WeakPolarHBondContact O-CG1 3.29Å; L986-I990 PolarHBondContact O-N 3.33Å; L986-V999 HydrophobicContact CD1-CG1 4.18Å; L986-V999 HydrophobicContact CD1-CG2 4.37Å; L986-V999 HydrophobicContact CD2-CG2 4.25Å; L986-M1015 HydrophobicContact CB-CE 4.17Å; L986-M1015 HydrophobicContact CD1-CE 4.08Å
987	E	85	Confident	86.4	Confident	68 Å²	68	52.8 Å²	52.8	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-41.8	176	-72.9	170.5	179.9	0	0	111.5	R983 M985 Q991 M1015	R983-E987 IonicContact CZ-OE1 3.64Å; R983-E987 IonicContact NE-OE1 2.75Å; R983-E987 PolarHBondContact NE-OE1 3.3Å; R983-E987 IonicContact NH2-OE1 3.89Å; R983-E987 WeakPolarHBondContact O-CG 3.46Å; R983-E987 PolarHBondContact O-N 3.09Å; M985-E987 VanDerWaalsContact C-N 3.34Å; E987-Q991 WeakPolarHBondContact O-CB 3.21Å; E987-Q991 WeakPolarHBondContact O-CG 3.4Å; E987-Q991 PolarHBondContact O-N 3.07Å; E987-M1015 HydrophobicContact CG-CG 4.32Å; E987-M1015 HydrophobicContact CG-SD 3.77Å
988	I	84	Confident	87.1	Confident	63 Å²	63	49.8 Å²	49.8	32%	0.323	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-46.5	174.8	-62.2	166.5	0	0	0	111	P953 A984 M985 L986 Q991 Q992	P953-I988 HydrophobicContact CB-CG2 3.79Å; P953-I988 HydrophobicContact CG-CB 3.98Å; P953-I988 HydrophobicContact CG-CG2 3.61Å; A984-I988 WeakPolarHBondContact O-CG1 3.21Å; A984-I988 PolarHBondContact O-N 2.91Å; M985-I988 PolarHBondContact O-N 2.96Å; M985-I988 HydrophobicContact SD-CD1 4.3Å; L986-I988 VanDerWaalsContact C-N 3.31Å; L986-I988 PolarHBondContact O-N 3.2Å; I988-Q991 PolarHBondContact O-N 3.48Å; I988-Q992 HydrophobicContact CG2-CG 4.22Å; I988-Q992 VanDerWaalsContact O-CB 3.29Å; I988-Q992 WeakPolarHBondContact O-CB 3.25Å; I988-Q992 VanDerWaalsContact O-CG 3.27Å; I988-Q992 WeakPolarHBondContact O-CG 3.46Å; I988-Q992 PolarHBondContact O-N 3.47Å
989	I	89	Confident	87.6	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-46.2	-179.9	-68.4	158	0	0	0	110.5	A951 P953 C956 V967 P969 M985 L986 Q991 Q992 A993 V997	A951-I989 HydrophobicContact CB-CD1 4.29Å; P953-I989 HydrophobicContact CB-CG1 4.13Å; P953-I989 HydrophobicContact CG-CG1 4.01Å; C956-I989 HydrophobicContact CB-CG1 4.34Å; C956-I989 HydrophobicContact CB-CG2 4.11Å; V967-I989 HydrophobicContact CG2-CG2 4.25Å; P969-I989 HydrophobicContact CB-CD1 3.9Å; P969-I989 HydrophobicContact CG-CD1 4.26Å; P969-I989 HydrophobicContact CG-CG2 4.26Å; M985-I989 WeakPolarHBondContact O-CD1 3.49Å; M985-I989 VanDerWaalsContact O-CG1 3.3Å; M985-I989 WeakPolarHBondContact O-CG1 3.44Å; M985-I989 PolarHBondContact O-N 2.91Å; L986-I989 PolarHBondContact O-N 3.42Å; I989-Q991 VanDerWaalsContact C-N 3.33Å; I989-Q991 PolarHBondContact O-N 3.19Å; I989-Q992 PolarHBondContact O-N 3.45Å; I989-A993 HydrophobicContact CG2-CB 4.46Å; I989-A993 WeakPolarHBondContact O-CB 3.44Å; I989-A993 PolarHBondContact O-N 3.06Å; I989-V997 HydrophobicContact CG2-CG1 3.98Å; I989-V997 HydrophobicContact CG2-CG2 3.98Å
990	I	85.7	Confident	87.8	Confident	25 Å²	25	45 Å²	45	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-44.4	177.6	-72.1	162.7	0	0	0	111	L986 Q992 V997 M1015 G1016 A1017	L986-I990 HydrophobicContact CB-CD1 4.44Å; L986-I990 VanDerWaalsContact O-CB 3.32Å; L986-I990 WeakPolarHBondContact O-CB 3.42Å; L986-I990 WeakPolarHBondContact O-CD1 3.28Å; L986-I990 WeakPolarHBondContact O-CG1 3.29Å; L986-I990 PolarHBondContact O-N 3.33Å; I990-Q992 VanDerWaalsContact C-N 3.33Å; I990-Q992 PolarHBondContact O-N 3.38Å; I990-V997 HydrophobicContact CG1-CB 4.34Å; I990-V997 HydrophobicContact CG1-CG1 4.04Å; I990-M1015 HydrophobicContact CD1-CB 3.83Å; I990-M1015 HydrophobicContact CD1-CE 4.34Å; I990-M1015 WeakPolarHBondContact CG2-O 3.19Å; I990-G1016 WeakPolarHBondContact CG2-O 3.39Å; I990-A1017 HydrophobicContact CD1-CB 3.94Å; I990-A1017 HydrophobicContact CG1-CB 4.31Å
991	Q	78.2	Confident	87.6	Confident	125 Å²	125	44.4 Å²	44.4	58%	0.584	23%	0.23	S	C	*	.	H	α-helix	trans	-69.2	-31.5	178.9	-73.8	174.5	9.3	0	0	113.1	E987 I988 I989 Q1300	E987-Q991 WeakPolarHBondContact O-CB 3.21Å; E987-Q991 WeakPolarHBondContact O-CG 3.4Å; E987-Q991 PolarHBondContact O-N 3.07Å; I988-Q991 PolarHBondContact O-N 3.48Å; I989-Q991 VanDerWaalsContact C-N 3.33Å; I989-Q991 PolarHBondContact O-N 3.19Å; Q991-Q1300 PolarHBondContact O-NE2 2.91Å
992	Q	80.8	Confident	87.2	Confident	79 Å²	79	38.6 Å²	38.6	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-94.3	-38.4	-173.2	-70.6	-177.9	-4	0	0	113.3	K957 I988 I989 I990 Q1300	K957-Q992 WeakPolarHBondContact CE-O 3.32Å; K957-Q992 PolarHBondContact NZ-O 3.32Å; I988-Q992 HydrophobicContact CG2-CG 4.22Å; I988-Q992 VanDerWaalsContact O-CB 3.29Å; I988-Q992 WeakPolarHBondContact O-CB 3.25Å; I988-Q992 VanDerWaalsContact O-CG 3.27Å; I988-Q992 WeakPolarHBondContact O-CG 3.46Å; I988-Q992 PolarHBondContact O-N 3.47Å; I989-Q992 PolarHBondContact O-N 3.45Å; I990-Q992 VanDerWaalsContact C-N 3.33Å; I990-Q992 PolarHBondContact O-N 3.38Å; Q992-Q1300 WeakPolarHBondContact O-CG 3.36Å
993	A	82.9	Confident	87.2	Confident	13 Å²	13	37.2 Å²	37.2	11%	0.107	19%	0.194	C	C	.	.			trans	-62.3	143.4	-174.9	0	0	0	0	0	111.6	E960 V967 I989 V997 Q1300	E960-A993 WeakPolarHBondContact OE2-CA 3.18Å; V967-A993 HydrophobicContact CG2-CB 4.45Å; I989-A993 HydrophobicContact CG2-CB 4.46Å; I989-A993 WeakPolarHBondContact O-CB 3.44Å; I989-A993 PolarHBondContact O-N 3.06Å; A993-V997 HydrophobicContact CB-CG2 3.36Å; A993-Q1300 PolarHBondContact O-NE2 3.43Å
994	T	81.7	Confident	87	Confident	45 Å²	45	31.7 Å²	31.7	28%	0.276	18%	0.177	S	C	.	.	S	Bend	trans	-111.4	-13.1	176.4	68.4	0	0	0	0	111.5	E960 Q1300 H1301	E960-T994 PolarHBondContact OE1-OG1 2.92Å; E960-T994 PolarHBondContact OE2-N 3.49Å; E960-T994 PolarHBondContact OE2-OG1 2.91Å; T994-Q1300 HydrophobicContact CG2-CG 4.31Å; T994-H1301 VanDerWaalsContact CG2-CD2 3.41Å; T994-H1301 WeakPolarHBondContact CG2-CD2 3.25Å; T994-H1301 WeakPolarHBondContact CG2-NE2 3.48Å
995	V	87.9	Confident	87.3	Confident	27 Å²	27	31.5 Å²	31.5	16%	0.164	17%	0.169	C	C	.	.	S	Bend	trans	-92.9	154.8	165.6	-66.5	0	0	0	0	109.3	E960 V967 V997	E960-V995 HydrophobicContact CB-CG2 4.05Å; E960-V995 HydrophobicContact CG-CB 4.47Å; E960-V995 HydrophobicContact CG-CG1 3.88Å; E960-V995 HydrophobicContact CG-CG2 3.88Å; V967-V995 HydrophobicContact CG1-CG2 4.14Å; V967-V995 HydrophobicContact CG2-CG2 4.39Å; V995-V997 PolarHBondContact O-N 3.45Å
996	P	91.4	Very high	87.1	Confident	21 Å²	21	28.6 Å²	28.6	14%	0.136	16%	0.157	C	C	.	.			trans	-52.3	132.3	178.4	-31.3	38.6	0	0	0	113.1	L821 R822 I823 A966 V967 D1018	L821-P996 HydrophobicContact CD1-CB 4.08Å; L821-P996 HydrophobicContact CD1-CG 4.25Å; R822-P996 WeakPolarHBondContact O-CG 3.16Å; I823-P996 HydrophobicContact CG1-CB 4.14Å; I823-P996 HydrophobicContact CG1-CG 3.99Å; A966-P996 VanDerWaalsContact CA-O 3.29Å; A966-P996 WeakPolarHBondContact CA-O 3.3Å; A966-P996 HydrophobicContact CB-CB 4.26Å; A966-P996 VanDerWaalsContact CB-O 3.25Å; A966-P996 WeakPolarHBondContact CB-O 3.5Å; V967-P996 PolarHBondContact N-O 2.76Å; P996-D1018 VanDerWaalsContact CA-OD2 3.24Å; P996-D1018 WeakPolarHBondContact CA-OD2 3.35Å; P996-D1018 HydrophobicContact CB-CB 3.9Å
997	V	93	Very high	86.7	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-96.3	112.2	174.3	-177.8	0	0	0	0	108.9	V967 P969 I989 I990 A993 V995 D1018 A1019	V967-V997 HydrophobicContact CG2-CG2 4.01Å; P969-V997 HydrophobicContact CG-CG1 3.87Å; I989-V997 HydrophobicContact CG2-CG1 3.98Å; I989-V997 HydrophobicContact CG2-CG2 3.98Å; I990-V997 HydrophobicContact CG1-CB 4.34Å; I990-V997 HydrophobicContact CG1-CG1 4.04Å; A993-V997 HydrophobicContact CB-CG2 3.36Å; V995-V997 PolarHBondContact O-N 3.45Å; V997-D1018 PolarHBondContact N-OD2 2.89Å; V997-D1018 PolarHBondContact O-N 3.39Å; V997-A1019 PolarHBondContact O-N 2.79Å
998	V	94.7	Very high	87	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	108.3	177.2	179.1	0	0	0	0	107.8	I823 F833 A966 V967 M968 D1000 A1019 L1021	I823-V998 HydrophobicContact CD1-CG2 4.44Å; F833-V998 HydrophobicContact CD2-CG1 3.94Å; F833-V998 HydrophobicContact CD2-CG2 4.06Å; F833-V998 HydrophobicContact CE2-CG1 4.47Å; F833-V998 HydrophobicContact CE2-CG2 3.77Å; A966-V998 HydrophobicContact CB-CG2 4.39Å; V967-V998 PolarHBondContact O-N 3.1Å; M968-V998 WeakPolarHBondContact CA-O 3.22Å; M968-V998 HydrophobicContact CG-CB 3.98Å; M968-V998 HydrophobicContact SD-CG1 4.5Å; V998-D1000 PolarHBondContact O-N 3.29Å; V998-A1019 CarbonylContact C-O 3.53Å; V998-A1019 VanDerWaalsContact CA-O 3.28Å; V998-A1019 WeakPolarHBondContact CA-O 3.46Å; V998-A1019 HydrophobicContact CB-CB 4.45Å; V998-A1019 HydrophobicContact CG1-CB 4.2Å; V998-A1019 HydrophobicContact CG2-CB 3.96Å; V998-L1021 HydrophobicContact CG1-CB 3.72Å
999	V	93.8	Very high	87.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	110	174.4	-175.4	0	0	0	0	108	L980 L986 I1003 A1012 A1017 A1019 V1020 L1021	L980-V999 HydrophobicContact CD2-CG1 3.89Å; L986-V999 HydrophobicContact CD1-CG1 4.18Å; L986-V999 HydrophobicContact CD1-CG2 4.37Å; L986-V999 HydrophobicContact CD2-CG2 4.25Å; V999-I1003 HydrophobicContact CB-CD1 4.22Å; V999-I1003 HydrophobicContact CG1-CD1 4.05Å; V999-I1003 HydrophobicContact CG1-CG1 4.47Å; V999-A1012 HydrophobicContact CB-CB 4.34Å; V999-A1012 HydrophobicContact CG2-CB 4.09Å; V999-A1017 HydrophobicContact CG2-CB 3.57Å; V999-A1019 PolarHBondContact N-O 3.19Å; V999-V1020 HydrophobicContact CB-CG1 4.43Å; V999-V1020 WeakPolarHBondContact O-CA 3.22Å; V999-L1021 PolarHBondContact O-N 3.44Å
1000	D	92.3	Very high	86.8	Confident	6 Å²	6	28 Å²	28	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	159.8	174.8	-167.2	-2.3	0	0	0	108.5	K914 Y948 M968 P969 L970 G971 V998 L1021	K914-D1000 WeakPolarHBondContact CE-OD2 3.5Å; K914-D1000 IonicContact NZ-OD1 3.73Å; K914-D1000 IonicContact NZ-OD2 3.27Å; K914-D1000 PolarHBondContact NZ-OD2 3.35Å; Y948-D1000 HydrophobicContact CD2-CB 4.02Å; Y948-D1000 VanDerWaalsContact CD2-OD2 3.3Å; Y948-D1000 WeakPolarHBondContact CD2-OD2 3.19Å; Y948-D1000 HydrophobicContact CE2-CB 4.44Å; M968-D1000 HydrophobicContact CB-CB 4.01Å; P969-D1000 PolarHBondContact O-N 3.15Å; P969-D1000 VanDerWaalsContact O-N 3.08Å; L970-D1000 CarbonylContact C-O 3.51Å; L970-D1000 WeakPolarHBondContact CA-O 3.37Å; G971-D1000 PolarHBondContact N-O 3.38Å; V998-D1000 PolarHBondContact O-N 3.29Å; D1000-L1021 HydrophobicContact CB-CB 4.27Å; D1000-L1021 VanDerWaalsContact OD1-CD2 3.26Å; D1000-L1021 WeakPolarHBondContact OD1-CD2 3.31Å
1001	A	86.7	Confident	86.6	Confident	9 Å²	9	30.5 Å²	30.5	7%	0.074	17%	0.174	C	C	.	.	S	Bend	trans	59	166.5	172.5	0	0	0	0	0	115.4	Y948 L970 A972 I974 I1003	Y948-A1001 HydrophobicContact CE2-CB 3.94Å; L970-A1001 HydrophobicContact CB-CB 4.06Å; A972-A1001 CarbonylContact O-C 3.38Å; A972-A1001 WeakPolarHBondContact O-CB 3.22Å; I974-A1001 HydrophobicContact CB-CB 4.22Å; I974-A1001 HydrophobicContact CG1-CB 3.44Å; I974-A1001 VanDerWaalsContact CG1-CB 3.44Å; A1001-I1003 PolarHBondContact O-N 3.41Å
1002	G	81.8	Confident	87	Confident	2 Å²	2	24.5 Å²	24.5	2%	0.021	15%	0.146	C	C	.	.			trans	69.3	-28.2	176.3	0	0	0	0	0	117.9	A972 N977 Q978 G979 G1004	A972-G1002 PolarHBondContact O-N 3.4Å; N977-G1002 CarbonylContact C-O 3.54Å; N977-G1002 VanDerWaalsContact CA-O 3.25Å; N977-G1002 WeakPolarHBondContact CA-O 3.38Å; Q978-G1002 PolarHBondContact N-O 2.78Å; G979-G1002 WeakPolarHBondContact CA-O 3.27Å; G979-G1002 PolarHBondContact N-O 2.86Å; G979-G1002 CarbonylContact O-C 3.57Å; G1002-G1004 PolarHBondContact O-N 3.16Å; G1002-G1004 VanDerWaalsContact O-N 3.1Å
1003	I	88.3	Confident	87.2	Confident	6 Å²	6	21 Å²	21	3%	0.031	13%	0.13	C	C	.	.			trans	-67.9	109.4	-178.1	-63.1	174	0	0	0	110.5	L980 V999 A1001 H1008 A1009 A1012 V1020 V1022 A1025 F1039	L980-I1003 HydrophobicContact CD2-CG1 4.5Å; V999-I1003 HydrophobicContact CB-CD1 4.22Å; V999-I1003 HydrophobicContact CG1-CD1 4.05Å; V999-I1003 HydrophobicContact CG1-CG1 4.47Å; A1001-I1003 PolarHBondContact O-N 3.41Å; I1003-H1008 HydrophobicContact CG2-CB 4.03Å; I1003-A1009 HydrophobicContact CG2-CB 4.09Å; I1003-A1012 HydrophobicContact CD1-CB 4.49Å; I1003-V1020 HydrophobicContact CD1-CB 3.59Å; I1003-V1020 HydrophobicContact CD1-CG1 3.48Å; I1003-V1020 VanDerWaalsContact CD1-CG1 3.48Å; I1003-V1022 HydrophobicContact CB-CG2 3.99Å; I1003-V1022 HydrophobicContact CD1-CG2 4.06Å; I1003-V1022 HydrophobicContact CG2-CG1 4.28Å; I1003-V1022 HydrophobicContact CG2-CG2 3.67Å; I1003-A1025 VanDerWaalsContact O-CB 3.27Å; I1003-A1025 WeakPolarHBondContact O-CB 3.26Å; I1003-F1039 HydrophobicContact CG2-CD1 4.47Å; I1003-F1039 HydrophobicContact CG2-CE1 3.52Å; I1003-F1039 HydrophobicContact CG2-CZ 4.12Å
1004	G	85.1	Confident	86.8	Confident	12 Å²	12	26.8 Å²	26.8	12%	0.124	16%	0.155	C	C	.	.			trans	-102.9	-24.4	-175.2	0	0	0	0	0	116.4	G1002 H1008	G1002-G1004 PolarHBondContact O-N 3.16Å; G1002-G1004 VanDerWaalsContact O-N 3.1Å; G1004-H1008 PolarHBondContact N-ND1 2.61Å
1005	V	89.4	Confident	86.7	Confident	61 Å²	61	26.3 Å²	26.3	37%	0.37	15%	0.15	S	C	.	.	S	Bend	trans	-141.5	157.2	-178.6	-68.4	0	0	0	0	110.6	S1007 H1008 A1009 F1039	V1005-S1007 WeakPolarHBondContact CG2-OG 3.46Å; V1005-S1007 PolarHBondContact O-N 3.47Å; V1005-S1007 VanDerWaalsContact O-N 3.16Å; V1005-H1008 HydrophobicContact CG2-CB 4.35Å; V1005-H1008 WeakPolarHBondContact O-CB 3.24Å; V1005-H1008 PolarHBondContact O-N 3.19Å; V1005-A1009 PolarHBondContact O-N 3.32Å; V1005-F1039 VanDerWaalsContact C-CE1 3.45Å; V1005-F1039 VanDerWaalsContact C-CZ 3.49Å; V1005-F1039 WeakPolarHBondContact O-CE1 3.47Å
1006	P	86.9	Confident	86.4	Confident	35 Å²	35	26 Å²	26	23%	0.227	15%	0.153	C	C	.	.	H	α-helix	trans	-54.2	-32.2	178.2	-29.5	36.3	0	0	0	114.9	H1008 A1009 A1010 M1035 A1038 F1039 A1042	P1006-H1008 VanDerWaalsContact C-N 3.31Å; P1006-H1008 PolarHBondContact O-N 3.43Å; P1006-A1009 WeakPolarHBondContact O-CB 3.26Å; P1006-A1009 PolarHBondContact O-N 3.47Å; P1006-A1009 VanDerWaalsContact O-N 3.16Å; P1006-A1010 PolarHBondContact O-N 3.02Å; P1006-M1035 HydrophobicContact CG-SD 4.28Å; P1006-A1038 HydrophobicContact CG-CB 3.8Å; P1006-F1039 HydrophobicContact CG-CD1 4.46Å; P1006-F1039 HydrophobicContact CG-CD2 4.45Å; P1006-F1039 HydrophobicContact CG-CE1 4.47Å; P1006-F1039 HydrophobicContact CG-CE2 4.49Å; P1006-F1039 HydrophobicContact CG-CG 4.43Å; P1006-F1039 HydrophobicContact CG-CZ 4.49Å; P1006-A1042 HydrophobicContact CB-CB 4.42Å; P1006-A1042 WeakPolarHBondContact O-CB 3.35Å
1007	S	83.1	Confident	86.2	Confident	65 Å²	65	25 Å²	25	46%	0.455	15%	0.146	S	C	.	.	H	α-helix	trans	-66.8	-28.3	175.8	55.9	0	0	0	0	113.4	V1005 A1010 Q1011	V1005-S1007 WeakPolarHBondContact CG2-OG 3.46Å; V1005-S1007 PolarHBondContact O-N 3.47Å; V1005-S1007 VanDerWaalsContact O-N 3.16Å; S1007-A1010 PolarHBondContact O-N 3.05Å; S1007-Q1011 WeakPolarHBondContact O-CB 3.5Å; S1007-Q1011 VanDerWaalsContact O-CG 3.25Å; S1007-Q1011 WeakPolarHBondContact O-CG 3.36Å; S1007-Q1011 PolarHBondContact O-N 3.17Å
1008	H	90.7	Very high	86	Confident	39 Å²	39	27 Å²	27	18%	0.181	16%	0.157	C	C	.	.	H	α-helix	trans	-70.4	-37.8	171.8	-62.1	168	0	0	0	111	G979 I1003 G1004 V1005 P1006 Q1011 A1012	G979-H1008 VanDerWaalsContact CA-CE1 3.5Å; G979-H1008 WeakPolarHBondContact CA-CE1 3.44Å; G979-H1008 WeakPolarHBondContact CA-ND1 3.29Å; I1003-H1008 HydrophobicContact CG2-CB 4.03Å; G1004-H1008 PolarHBondContact N-ND1 2.61Å; V1005-H1008 HydrophobicContact CG2-CB 4.35Å; V1005-H1008 WeakPolarHBondContact O-CB 3.24Å; V1005-H1008 PolarHBondContact O-N 3.19Å; P1006-H1008 VanDerWaalsContact C-N 3.31Å; P1006-H1008 PolarHBondContact O-N 3.43Å; H1008-Q1011 PolarHBondContact O-N 3.5Å; H1008-A1012 PolarHBondContact O-N 2.95Å
1009	A	87.7	Confident	85.9	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-42.6	172.9	0	0	0	0	0	111.4	I1003 V1005 P1006 Q1011 A1012 L1013 V1020 F1039 A1042	I1003-A1009 HydrophobicContact CG2-CB 4.09Å; V1005-A1009 PolarHBondContact O-N 3.32Å; P1006-A1009 WeakPolarHBondContact O-CB 3.26Å; P1006-A1009 PolarHBondContact O-N 3.47Å; P1006-A1009 VanDerWaalsContact O-N 3.16Å; A1009-Q1011 PolarHBondContact O-N 3.09Å; A1009-A1012 PolarHBondContact O-N 2.94Å; A1009-L1013 VanDerWaalsContact O-CG 3.24Å; A1009-L1013 WeakPolarHBondContact O-CG 3.49Å; A1009-L1013 PolarHBondContact O-N 3.23Å; A1009-V1020 HydrophobicContact CB-CG1 4.4Å; A1009-V1020 HydrophobicContact CB-CG2 4.01Å; A1009-F1039 HydrophobicContact CB-CD1 3.68Å; A1009-F1039 HydrophobicContact CB-CE1 3.88Å; A1009-A1042 HydrophobicContact CB-CB 4.04Å
1010	A	80.4	Confident	85.8	Confident	17 Å²	17	27.1 Å²	27.1	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-49.6	174.1	0	0	0	0	0	110.9	P1006 S1007 A1012 L1013 E1014 A1042	P1006-A1010 PolarHBondContact O-N 3.02Å; S1007-A1010 PolarHBondContact O-N 3.05Å; A1010-A1012 VanDerWaalsContact C-N 3.33Å; A1010-A1012 PolarHBondContact O-N 2.79Å; A1010-L1013 PolarHBondContact O-N 3.37Å; A1010-E1014 WeakPolarHBondContact O-CB 3.47Å; A1010-E1014 VanDerWaalsContact O-CG 3.24Å; A1010-E1014 WeakPolarHBondContact O-CG 3.23Å; A1010-E1014 PolarHBondContact O-N 2.8Å; A1010-A1042 HydrophobicContact CB-CB 4.17Å
1011	Q	82.9	Confident	85.9	Confident	77 Å²	77	27.1 Å²	27.1	36%	0.36	16%	0.157	S	C	.	.	H	α-helix	trans	-58.6	-40	176.1	-73.8	172	8.6	0	0	113.1	L980 S1007 H1008 A1009 M1015	L980-Q1011 HydrophobicContact CD1-CB 3.73Å; S1007-Q1011 WeakPolarHBondContact O-CB 3.5Å; S1007-Q1011 VanDerWaalsContact O-CG 3.25Å; S1007-Q1011 WeakPolarHBondContact O-CG 3.36Å; S1007-Q1011 PolarHBondContact O-N 3.17Å; H1008-Q1011 PolarHBondContact O-N 3.5Å; A1009-Q1011 PolarHBondContact O-N 3.09Å; Q1011-M1015 WeakPolarHBondContact O-CG 3.45Å; Q1011-M1015 PolarHBondContact O-N 3.19Å
1012	A	85.4	Confident	86	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-45.2	176.7	0	0	0	0	0	112	L980 V999 I1003 H1008 A1009 A1010 M1015 A1017 V1020	L980-A1012 HydrophobicContact CD1-CB 4.25Å; L980-A1012 HydrophobicContact CD2-CB 4.13Å; V999-A1012 HydrophobicContact CB-CB 4.34Å; V999-A1012 HydrophobicContact CG2-CB 4.09Å; I1003-A1012 HydrophobicContact CD1-CB 4.49Å; H1008-A1012 PolarHBondContact O-N 2.95Å; A1009-A1012 PolarHBondContact O-N 2.94Å; A1010-A1012 VanDerWaalsContact C-N 3.33Å; A1010-A1012 PolarHBondContact O-N 2.79Å; A1012-M1015 PolarHBondContact O-N 3.4Å; A1012-A1017 WeakPolarHBondContact O-CB 3.21Å; A1012-A1017 PolarHBondContact O-N 3.26Å; A1012-V1020 HydrophobicContact CB-CG1 3.69Å
1013	L	85.5	Confident	86.4	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-71.1	-37.7	-179.9	-63.4	170.2	0	0	0	111.6	H831 A1009 A1010 M1015 G1016 A1017 V1020 P1043 R1046	H831-L1013 HydrophobicContact CB-CD2 4.31Å; A1009-L1013 VanDerWaalsContact O-CG 3.24Å; A1009-L1013 WeakPolarHBondContact O-CG 3.49Å; A1009-L1013 PolarHBondContact O-N 3.23Å; A1010-L1013 PolarHBondContact O-N 3.37Å; L1013-M1015 VanDerWaalsContact C-N 3.35Å; L1013-G1016 WeakPolarHBondContact O-CA 3.37Å; L1013-G1016 PolarHBondContact O-N 2.93Å; L1013-A1017 VanDerWaalsContact CD2-O 3.27Å; L1013-A1017 WeakPolarHBondContact CD2-O 3.38Å; L1013-V1020 HydrophobicContact CD2-CG1 4.3Å; L1013-V1020 HydrophobicContact CG-CG1 4.29Å; L1013-P1043 HydrophobicContact CD1-CB 3.62Å; L1013-P1043 HydrophobicContact CD1-CG 3.57Å; L1013-R1046 WeakPolarHBondContact O-CD 3.29Å; L1013-R1046 PolarHBondContact O-NE 2.94Å
1014	E	74.3	Confident	86.2	Confident	136 Å²	136	28.4 Å²	28.4	64%	0.636	16%	0.163	S	C	*	.	H	α-helix	trans	-62.6	-35.8	173.5	-76.1	168.6	-173.5	0	0	112.7	A1010 G1016	A1010-E1014 WeakPolarHBondContact O-CB 3.47Å; A1010-E1014 VanDerWaalsContact O-CG 3.24Å; A1010-E1014 WeakPolarHBondContact O-CG 3.23Å; A1010-E1014 PolarHBondContact O-N 2.8Å; E1014-G1016 PolarHBondContact O-N 2.92Å
1015	M	79.7	Confident	86.3	Confident	34 Å²	34	28.1 Å²	28.1	17%	0.167	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.7	171.6	-73.4	-172	-53.2	0	0	113.1	L980 R983 L986 E987 I990 Q1011 A1012 L1013	L980-M1015 HydrophobicContact CD1-CE 3.64Å; L980-M1015 HydrophobicContact CD2-CE 4.47Å; R983-M1015 HydrophobicContact CG-SD 3.54Å; R983-M1015 VanDerWaalsContact CG-SD 3.54Å; L986-M1015 HydrophobicContact CB-CE 4.17Å; L986-M1015 HydrophobicContact CD1-CE 4.08Å; E987-M1015 HydrophobicContact CG-CG 4.32Å; E987-M1015 HydrophobicContact CG-SD 3.77Å; I990-M1015 HydrophobicContact CD1-CB 3.83Å; I990-M1015 HydrophobicContact CD1-CE 4.34Å; I990-M1015 WeakPolarHBondContact CG2-O 3.19Å; Q1011-M1015 WeakPolarHBondContact O-CG 3.45Å; Q1011-M1015 PolarHBondContact O-N 3.19Å; A1012-M1015 PolarHBondContact O-N 3.4Å; L1013-M1015 VanDerWaalsContact C-N 3.35Å
1016	G	81.2	Confident	86.3	Confident	22 Å²	22	25.2 Å²	25.2	23%	0.227	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	18.1	-177	0	0	0	0	0	114.4	I990 L1013 E1014 R1046	I990-G1016 WeakPolarHBondContact CG2-O 3.39Å; L1013-G1016 WeakPolarHBondContact O-CA 3.37Å; L1013-G1016 PolarHBondContact O-N 2.93Å; E1014-G1016 PolarHBondContact O-N 2.92Å; G1016-R1046 PolarHBondContact O-NH2 3.3Å
1017	A	86.7	Confident	86.1	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.			trans	-69.8	138.5	168.9	0	0	0	0	0	111.7	I990 V999 A1012 L1013 R1046	I990-A1017 HydrophobicContact CD1-CB 3.94Å; I990-A1017 HydrophobicContact CG1-CB 4.31Å; V999-A1017 HydrophobicContact CG2-CB 3.57Å; A1012-A1017 WeakPolarHBondContact O-CB 3.21Å; A1012-A1017 PolarHBondContact O-N 3.26Å; L1013-A1017 VanDerWaalsContact CD2-O 3.27Å; L1013-A1017 WeakPolarHBondContact CD2-O 3.38Å; A1017-R1046 VanDerWaalsContact C-CZ 3.46Å; A1017-R1046 PolarHBondContact O-NE 2.86Å; A1017-R1046 VanDerWaalsContact O-NE 3.16Å; A1017-R1046 PolarHBondContact O-NH1 2.88Å; A1017-R1046 PolarHBondContact O-NH2 3.32Å
1018	D	89.5	Confident	86.1	Confident	43 Å²	43	23.6 Å²	23.6	23%	0.23	13%	0.129	C	C	.	.	S	Bend	trans	-74.8	-28.9	-174.2	-63.9	-57.8	0	0	0	114.5	L821 H831 P996 V997 R1046	L821-D1018 HydrophobicContact CD1-CB 3.91Å; H831-D1018 PolarHBondContact ND1-O 2.97Å; P996-D1018 VanDerWaalsContact CA-OD2 3.24Å; P996-D1018 WeakPolarHBondContact CA-OD2 3.35Å; P996-D1018 HydrophobicContact CB-CB 3.9Å; V997-D1018 PolarHBondContact N-OD2 2.89Å; V997-D1018 PolarHBondContact O-N 3.39Å; D1018-R1046 IonicContact OD1-CZ 2.73Å; D1018-R1046 IonicContact OD1-NH1 3.69Å; D1018-R1046 PolarHBondContact OD1-NH1 3.49Å; D1018-R1046 IonicContact OD1-NH2 2.65Å; D1018-R1046 PolarHBondContact OD1-NH2 3.48Å
1019	A	91.8	Very high	85.7	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	171.5	172.5	0	0	0	0	0	110.3	L821 H831 F833 V997 V998 V999	L821-A1019 HydrophobicContact CD2-CB 3.52Å; H831-A1019 CarbonylContact O-C 3.5Å; H831-A1019 WeakPolarHBondContact O-CA 3.34Å; H831-A1019 WeakPolarHBondContact O-CB 3.47Å; F833-A1019 HydrophobicContact CD2-CB 4.01Å; F833-A1019 HydrophobicContact CE2-CB 3.75Å; F833-A1019 HydrophobicContact CZ-CB 4.22Å; V997-A1019 PolarHBondContact O-N 2.79Å; V998-A1019 CarbonylContact C-O 3.53Å; V998-A1019 VanDerWaalsContact CA-O 3.28Å; V998-A1019 WeakPolarHBondContact CA-O 3.46Å; V998-A1019 HydrophobicContact CB-CB 4.45Å; V998-A1019 HydrophobicContact CG1-CB 4.2Å; V998-A1019 HydrophobicContact CG2-CB 3.96Å; V999-A1019 PolarHBondContact N-O 3.19Å
1020	V	92.7	Very high	85.2	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.1	169.7	-67.3	0	0	0	0	108.5	H831 L832 F833 V999 I1003 A1009 A1012 L1013 V1022	H831-V1020 PolarHBondContact O-N 2.81Å; L832-V1020 HydrophobicContact CD1-CG2 3.8Å; F833-V1020 PolarHBondContact N-O 3.18Å; V999-V1020 HydrophobicContact CB-CG1 4.43Å; V999-V1020 WeakPolarHBondContact O-CA 3.22Å; I1003-V1020 HydrophobicContact CD1-CB 3.59Å; I1003-V1020 HydrophobicContact CD1-CG1 3.48Å; I1003-V1020 VanDerWaalsContact CD1-CG1 3.48Å; A1009-V1020 HydrophobicContact CB-CG1 4.4Å; A1009-V1020 HydrophobicContact CB-CG2 4.01Å; A1012-V1020 HydrophobicContact CB-CG1 3.69Å; L1013-V1020 HydrophobicContact CD2-CG1 4.3Å; L1013-V1020 HydrophobicContact CG-CG1 4.29Å; V1020-V1022 HydrophobicContact CB-CG2 3.91Å; V1020-V1022 HydrophobicContact CG2-CG2 3.87Å
1021	L	93.3	Very high	85.3	Confident	6 Å²	6	23.5 Å²	23.5	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	101	171.2	-167.3	146.1	0	0	0	108.1	F833 K914 M968 V998 V999 D1000 N1023	F833-L1021 HydrophobicContact CB-CB 4.33Å; F833-L1021 HydrophobicContact CB-CD1 4.19Å; F833-L1021 HydrophobicContact CB-CG 4.16Å; F833-L1021 WeakPolarHBondContact O-CA 3.26Å; K914-L1021 HydrophobicContact CD-CD1 4.42Å; M968-L1021 HydrophobicContact SD-CD1 4.22Å; V998-L1021 HydrophobicContact CG1-CB 3.72Å; V999-L1021 PolarHBondContact O-N 3.44Å; D1000-L1021 HydrophobicContact CB-CB 4.27Å; D1000-L1021 VanDerWaalsContact OD1-CD2 3.26Å; D1000-L1021 WeakPolarHBondContact OD1-CD2 3.31Å; L1021-N1023 HydrophobicContact CD2-CB 4.5Å
1022	V	90.6	Very high	85.4	Confident	3 Å²	3	20 Å²	20	2%	0.018	11%	0.112	C	C	.	.			trans	-117.6	92.9	-176.1	-169.5	0	0	0	0	107.8	L832 F833 I1003 V1020 A1025 I1026 F1039	L832-V1022 HydrophobicContact CD1-CB 4Å; L832-V1022 HydrophobicContact CD1-CG2 3.97Å; F833-V1022 PolarHBondContact O-N 3.23Å; I1003-V1022 HydrophobicContact CB-CG2 3.99Å; I1003-V1022 HydrophobicContact CD1-CG2 4.06Å; I1003-V1022 HydrophobicContact CG2-CG1 4.28Å; I1003-V1022 HydrophobicContact CG2-CG2 3.67Å; V1020-V1022 HydrophobicContact CB-CG2 3.91Å; V1020-V1022 HydrophobicContact CG2-CG2 3.87Å; V1022-A1025 HydrophobicContact CG1-CB 3.72Å; V1022-I1026 HydrophobicContact CB-CD1 4.39Å; V1022-I1026 HydrophobicContact CB-CG1 4.49Å; V1022-I1026 HydrophobicContact CG1-CG1 4.15Å; V1022-I1026 WeakPolarHBondContact O-CD1 3.39Å; V1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; V1022-F1039 HydrophobicContact CB-CD1 4.47Å; V1022-F1039 HydrophobicContact CB-CE1 4.48Å; V1022-F1039 HydrophobicContact CG1-CD1 4.24Å; V1022-F1039 HydrophobicContact CG1-CD2 4.25Å; V1022-F1039 HydrophobicContact CG1-CE1 3.87Å; V1022-F1039 HydrophobicContact CG1-CE2 3.87Å; V1022-F1039 HydrophobicContact CG1-CG 4.43Å; V1022-F1039 HydrophobicContact CG1-CZ 3.68Å; V1022-F1039 HydrophobicContact CG2-CD1 4.16Å; V1022-F1039 HydrophobicContact CG2-CE1 4.15Å
1023	N	88.5	Confident	85.3	Confident	19 Å²	19	21 Å²	21	10%	0.102	12%	0.119	C	C	.	.	S	Bend	trans	-98.3	-54.9	172.4	-173.2	74.6	0	0	0	111.3	G835 G837 F839 L1021 A1025 I1026 A1027	G835-N1023 WeakPolarHBondContact CA-OD1 3.4Å; G835-N1023 PolarHBondContact N-OD1 3.11Å; G835-N1023 PolarHBondContact O-OD1 2.87Å; G837-N1023 PolarHBondContact O-ND2 2.89Å; F839-N1023 VanDerWaalsContact CE2-OD1 3.3Å; F839-N1023 WeakPolarHBondContact CE2-OD1 3.2Å; L1021-N1023 HydrophobicContact CD2-CB 4.5Å; N1023-A1025 PolarHBondContact O-N 3.3Å; N1023-I1026 PolarHBondContact O-N 3.43Å; N1023-I1026 VanDerWaalsContact O-N 3.15Å; N1023-A1027 VanDerWaalsContact O-CB 3.24Å; N1023-A1027 WeakPolarHBondContact O-CB 3.49Å; N1023-A1027 PolarHBondContact O-N 2.73Å
1024	T	85.8	Confident	85.1	Confident	22 Å²	22	22.7 Å²	22.7	14%	0.135	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-48.8	-171.7	-65.4	0	0	0	0	111.2	K838 I1026 A1027 V1028	K838-T1024 HydrophobicContact CD-CG2 4.22Å; K838-T1024 PolarHBondContact NZ-OG1 3.34Å; T1024-I1026 VanDerWaalsContact C-N 3.27Å; T1024-I1026 PolarHBondContact O-N 3.4Å; T1024-A1027 PolarHBondContact O-N 3.39Å; T1024-V1028 HydrophobicContact CG2-CG1 3.79Å; T1024-V1028 HydrophobicContact CG2-CG2 4.02Å; T1024-V1028 WeakPolarHBondContact O-CA 3.35Å; T1024-V1028 VanDerWaalsContact O-CB 3.3Å; T1024-V1028 WeakPolarHBondContact O-CB 3.46Å; T1024-V1028 VanDerWaalsContact O-CG1 3.28Å; T1024-V1028 WeakPolarHBondContact O-CG1 3.2Å; T1024-V1028 WeakPolarHBondContact O-CG2 3.34Å; T1024-V1028 PolarHBondContact O-N 3.42Å
1025	A	86.4	Confident	85.8	Confident	6 Å²	6	18.4 Å²	18.4	5%	0.05	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-25.5	-179.7	0	0	0	0	0	114	I1003 V1022 N1023 A1029 M1035 F1039	I1003-A1025 VanDerWaalsContact O-CB 3.27Å; I1003-A1025 WeakPolarHBondContact O-CB 3.26Å; V1022-A1025 HydrophobicContact CG1-CB 3.72Å; N1023-A1025 PolarHBondContact O-N 3.3Å; A1025-A1029 WeakPolarHBondContact O-CB 3.3Å; A1025-A1029 PolarHBondContact O-N 3.1Å; A1025-M1035 WeakPolarHBondContact O-CG 3.28Å; A1025-F1039 HydrophobicContact CB-CE2 3.86Å; A1025-F1039 HydrophobicContact CB-CZ 3.83Å
1026	I	88.6	Confident	86.2	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-78.8	-56.2	173.7	-66.7	-179.5	0	0	0	110	L832 T834 F839 V1022 N1023 T1024 V1028 A1029 P1032 M1035 A1036 F1039	L832-I1026 HydrophobicContact CD1-CD1 4.36Å; L832-I1026 HydrophobicContact CD2-CD1 4.27Å; T834-I1026 HydrophobicContact CG2-CD1 3.65Å; F839-I1026 HydrophobicContact CE1-CG2 4.37Å; F839-I1026 HydrophobicContact CZ-CG2 4.16Å; V1022-I1026 HydrophobicContact CB-CD1 4.39Å; V1022-I1026 HydrophobicContact CB-CG1 4.49Å; V1022-I1026 HydrophobicContact CG1-CG1 4.15Å; V1022-I1026 WeakPolarHBondContact O-CD1 3.39Å; V1022-I1026 WeakPolarHBondContact O-CG1 3.49Å; N1023-I1026 PolarHBondContact O-N 3.43Å; N1023-I1026 VanDerWaalsContact O-N 3.15Å; T1024-I1026 VanDerWaalsContact C-N 3.27Å; T1024-I1026 PolarHBondContact O-N 3.4Å; I1026-V1028 VanDerWaalsContact C-N 3.31Å; I1026-V1028 PolarHBondContact O-N 3.45Å; I1026-A1029 WeakPolarHBondContact O-CB 3.43Å; I1026-A1029 PolarHBondContact O-N 3.15Å; I1026-A1029 VanDerWaalsContact O-N 3.15Å; I1026-P1032 HydrophobicContact CG2-CB 4.28Å; I1026-P1032 WeakPolarHBondContact CG2-O 3.47Å; I1026-P1032 VanDerWaalsContact O-CA 3.23Å; I1026-P1032 WeakPolarHBondContact O-CA 3.29Å; I1026-P1032 VanDerWaalsContact O-CB 3.27Å; I1026-P1032 WeakPolarHBondContact O-CB 3.42Å; I1026-M1035 HydrophobicContact CG1-CG 4.42Å; I1026-A1036 HydrophobicContact CD1-CB 4.22Å; I1026-A1036 HydrophobicContact CG2-CB 3.85Å; I1026-F1039 HydrophobicContact CD1-CB 4.45Å; I1026-F1039 HydrophobicContact CD1-CD2 4.29Å; I1026-F1039 HydrophobicContact CG1-CD2 3.68Å; I1026-F1039 HydrophobicContact CG1-CE2 4.17Å; I1026-F1039 HydrophobicContact CG1-CG 4.42Å
1027	A	84.1	Confident	86.4	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-40.5	-176.7	0	0	0	0	0	111	I202 G837 K838 F839 N1023 T1024 A1029	I202-A1027 WeakPolarHBondContact CD1-O 3.28Å; G837-A1027 WeakPolarHBondContact O-CB 3.09Å; K838-A1027 HydrophobicContact CB-CB 3.76Å; F839-A1027 HydrophobicContact CD1-CB 4.43Å; F839-A1027 HydrophobicContact CD2-CB 4.19Å; F839-A1027 HydrophobicContact CE1-CB 4.21Å; F839-A1027 HydrophobicContact CE2-CB 3.95Å; F839-A1027 HydrophobicContact CG-CB 4.42Å; F839-A1027 HydrophobicContact CZ-CB 3.99Å; N1023-A1027 VanDerWaalsContact O-CB 3.24Å; N1023-A1027 WeakPolarHBondContact O-CB 3.49Å; N1023-A1027 PolarHBondContact O-N 2.73Å; T1024-A1027 PolarHBondContact O-N 3.39Å; A1027-A1029 VanDerWaalsContact C-N 3.34Å
1028	V	83.3	Confident	86.3	Confident	67 Å²	67	22.1 Å²	22.1	41%	0.406	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0	179.2	-48.8	0	0	0	0	113.8	K838 T1024 I1026	K838-V1028 HydrophobicContact CB-CG1 4.49Å; K838-V1028 HydrophobicContact CD-CG1 3.76Å; T1024-V1028 HydrophobicContact CG2-CG1 3.79Å; T1024-V1028 HydrophobicContact CG2-CG2 4.02Å; T1024-V1028 WeakPolarHBondContact O-CA 3.35Å; T1024-V1028 VanDerWaalsContact O-CB 3.3Å; T1024-V1028 WeakPolarHBondContact O-CB 3.46Å; T1024-V1028 VanDerWaalsContact O-CG1 3.28Å; T1024-V1028 WeakPolarHBondContact O-CG1 3.2Å; T1024-V1028 WeakPolarHBondContact O-CG2 3.34Å; T1024-V1028 PolarHBondContact O-N 3.42Å; I1026-V1028 VanDerWaalsContact C-N 3.31Å; I1026-V1028 PolarHBondContact O-N 3.45Å
1029	A	80.7	Confident	86.3	Confident	8 Å²	8	20.1 Å²	20.1	7%	0.066	11%	0.113	C	C	.	.	S	Bend	trans	-72.8	146.5	171.8	0	0	0	0	0	109.8	A1025 I1026 A1027 D1031 P1032 M1035	A1025-A1029 WeakPolarHBondContact O-CB 3.3Å; A1025-A1029 PolarHBondContact O-N 3.1Å; I1026-A1029 WeakPolarHBondContact O-CB 3.43Å; I1026-A1029 PolarHBondContact O-N 3.15Å; I1026-A1029 VanDerWaalsContact O-N 3.15Å; A1027-A1029 VanDerWaalsContact C-N 3.34Å; A1029-D1031 PolarHBondContact O-N 2.67Å; A1029-P1032 WeakPolarHBondContact O-CD 3.4Å; A1029-P1032 WeakPolarHBondContact O-CG 3.28Å; A1029-M1035 HydrophobicContact CB-CB 3.34Å; A1029-M1035 HydrophobicContact CB-CE 3.67Å; A1029-M1035 HydrophobicContact CB-CG 3.45Å; A1029-M1035 VanDerWaalsContact CB-CG 3.45Å; A1029-M1035 HydrophobicContact CB-SD 4.45Å
1030	D	77.6	Confident	86	Confident	44 Å²	44	26.7 Å²	26.7	24%	0.235	14%	0.138	C	C	.	.	S	Bend	trans	-66.6	-14.2	-178.2	-15.4	-57.3	0	0	0	111.6	M173 T199 I213	M173-D1030 HydrophobicContact CE-CB 3.5Å; M173-D1030 VanDerWaalsContact CE-CB 3.5Å; M173-D1030 VanDerWaalsContact CE-OD2 3.24Å; M173-D1030 WeakPolarHBondContact CE-OD2 3.48Å; M173-D1030 HydrophobicContact CG-CB 3.51Å; M173-D1030 HydrophobicContact SD-CB 3.53Å; M173-D1030 VanDerWaalsContact SD-CB 3.53Å; T199-D1030 CarbonylContact C-O 3.57Å; T199-D1030 VanDerWaalsContact C-O 3.27Å; T199-D1030 WeakPolarHBondContact CB-O 3.29Å; T199-D1030 HydrophobicContact CG2-CB 4.15Å; T199-D1030 WeakPolarHBondContact OG1-CA 3.44Å; T199-D1030 VanDerWaalsContact OG1-CB 3.28Å; T199-D1030 WeakPolarHBondContact OG1-CB 3.32Å; T199-D1030 PolarHBondContact OG1-O 3.39Å; T199-D1030 VanDerWaalsContact OG1-O 3.05Å; I213-D1030 HydrophobicContact CB-CB 4.13Å; I213-D1030 HydrophobicContact CD1-CB 3.98Å; I213-D1030 WeakPolarHBondContact CD1-OD1 3.49Å; I213-D1030 HydrophobicContact CG1-CB 4.48Å; I213-D1030 HydrophobicContact CG2-CB 3.44Å; I213-D1030 VanDerWaalsContact CG2-CB 3.44Å; I213-D1030 VanDerWaalsContact CG2-OD2 3.23Å; I213-D1030 WeakPolarHBondContact CG2-OD2 3.23Å
1031	D	83	Confident	85.2	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.011	17%	0.172	C	C	.	.			trans	-131.9	96.2	159.5	172.4	17.5	0	0	0	109.4	P172 M173 Q174 A1029 V1033 N1034 M1035	P172-D1031 HydrophobicContact CB-CB 4.13Å; M173-D1031 HydrophobicContact CB-CB 4.08Å; M173-D1031 HydrophobicContact CE-CB 4.19Å; M173-D1031 VanDerWaalsContact CE-N 3.28Å; M173-D1031 HydrophobicContact CG-CB 4.33Å; Q174-D1031 PolarHBondContact NE2-OD2 3.05Å; Q174-D1031 PolarHBondContact OE1-OD2 3.38Å; A1029-D1031 PolarHBondContact O-N 2.67Å; D1031-V1033 PolarHBondContact O-N 3.02Å; D1031-V1033 WeakPolarHBondContact OD1-CA 3.37Å; D1031-V1033 WeakPolarHBondContact OD1-CB 3.36Å; D1031-V1033 PolarHBondContact OD1-N 3.4Å; D1031-N1034 PolarHBondContact O-N 3.25Å; D1031-N1034 PolarHBondContact OD1-N 3.19Å; D1031-N1034 VanDerWaalsContact OD1-N 3.12Å; D1031-N1034 WeakPolarHBondContact OD2-CA 3.33Å; D1031-N1034 WeakPolarHBondContact OD2-CB 3.15Å; D1031-N1034 PolarHBondContact OD2-N 2.91Å; D1031-N1034 PolarHBondContact OD2-ND2 2.96Å; D1031-M1035 WeakPolarHBondContact O-CB 3.27Å; D1031-M1035 PolarHBondContact O-N 2.74Å
1032	P	85.1	Confident	83.7	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-28.5	177.8	-25.1	36.2	0	0	0	112.7	I202 F839 L844 A848 I1026 A1029 A1036	I202-P1032 HydrophobicContact CD1-CG 4.41Å; F839-P1032 HydrophobicContact CD1-CB 4.5Å; F839-P1032 HydrophobicContact CE1-CB 4.01Å; L844-P1032 HydrophobicContact CD2-CB 4.46Å; L844-P1032 HydrophobicContact CD2-CG 4.03Å; A848-P1032 HydrophobicContact CB-CB 4.07Å; I1026-P1032 HydrophobicContact CG2-CB 4.28Å; I1026-P1032 WeakPolarHBondContact CG2-O 3.47Å; I1026-P1032 VanDerWaalsContact O-CA 3.23Å; I1026-P1032 WeakPolarHBondContact O-CA 3.29Å; I1026-P1032 VanDerWaalsContact O-CB 3.27Å; I1026-P1032 WeakPolarHBondContact O-CB 3.42Å; A1029-P1032 WeakPolarHBondContact O-CD 3.4Å; A1029-P1032 WeakPolarHBondContact O-CG 3.28Å; P1032-A1036 WeakPolarHBondContact O-CB 3.42Å; P1032-A1036 PolarHBondContact O-N 3.1Å
1033	V	82.2	Confident	82	Confident	23 Å²	23	35.4 Å²	35.4	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-74.4	-46.4	-178.6	173.3	0	0	0	0	111.4	L844 E847 A848 A851 D1031 A1036 K1037	L844-V1033 HydrophobicContact CD1-CG2 4.04Å; E847-V1033 HydrophobicContact CB-CG2 4Å; A848-V1033 HydrophobicContact CB-CG2 4.27Å; A851-V1033 HydrophobicContact CB-CB 4.43Å; A851-V1033 HydrophobicContact CB-CG1 3.66Å; A851-V1033 WeakPolarHBondContact CB-O 3.31Å; D1031-V1033 PolarHBondContact O-N 3.02Å; D1031-V1033 WeakPolarHBondContact OD1-CA 3.37Å; D1031-V1033 WeakPolarHBondContact OD1-CB 3.36Å; D1031-V1033 PolarHBondContact OD1-N 3.4Å; V1033-A1036 WeakPolarHBondContact O-CB 3.27Å; V1033-K1037 WeakPolarHBondContact O-CG 3.48Å; V1033-K1037 PolarHBondContact O-N 2.7Å; V1033-K1037 VanDerWaalsContact O-N 3.1Å
1034	N	82.4	Confident	79.9	Confident	39 Å²	39	38.4 Å²	38.4	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-83.5	-28.2	172.3	-65.9	-34.8	0	0	0	114.9	Q174 D1031 A1036 K1037 A1038	Q174-N1034 WeakPolarHBondContact CB-ND2 3.49Å; Q174-N1034 WeakPolarHBondContact CG-ND2 3.3Å; Q174-N1034 PolarHBondContact NE2-ND2 3.42Å; Q174-N1034 PolarHBondContact OE1-ND2 3.07Å; D1031-N1034 PolarHBondContact O-N 3.25Å; D1031-N1034 PolarHBondContact OD1-N 3.19Å; D1031-N1034 VanDerWaalsContact OD1-N 3.12Å; D1031-N1034 WeakPolarHBondContact OD2-CA 3.33Å; D1031-N1034 WeakPolarHBondContact OD2-CB 3.15Å; D1031-N1034 PolarHBondContact OD2-N 2.91Å; D1031-N1034 PolarHBondContact OD2-ND2 2.96Å; N1034-A1036 PolarHBondContact O-N 3.2Å; N1034-K1037 CarbonylContact O-C 3.59Å; N1034-K1037 WeakPolarHBondContact O-CA 3.23Å; N1034-K1037 WeakPolarHBondContact O-CB 3.4Å; N1034-K1037 PolarHBondContact O-N 2.99Å; N1034-K1037 VanDerWaalsContact OD1-CD 3.32Å; N1034-K1037 WeakPolarHBondContact OD1-CD 3.32Å; N1034-K1037 WeakPolarHBondContact OD1-CE 3.08Å; N1034-K1037 PolarHBondContact OD1-NZ 3.48Å; N1034-A1038 WeakPolarHBondContact O-CB 3.33Å; N1034-A1038 PolarHBondContact O-N 2.73Å
1035	M	89.1	Confident	77.6	Confident	45 Å²	45	44 Å²	44	22%	0.222	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-41.9	169.5	-175.4	61.5	79.2	0	0	108.6	P1006 A1025 I1026 A1029 D1031 K1037 A1038 F1039	P1006-M1035 HydrophobicContact CG-SD 4.28Å; A1025-M1035 WeakPolarHBondContact O-CG 3.28Å; I1026-M1035 HydrophobicContact CG1-CG 4.42Å; A1029-M1035 HydrophobicContact CB-CB 3.34Å; A1029-M1035 HydrophobicContact CB-CE 3.67Å; A1029-M1035 HydrophobicContact CB-CG 3.45Å; A1029-M1035 VanDerWaalsContact CB-CG 3.45Å; A1029-M1035 HydrophobicContact CB-SD 4.45Å; D1031-M1035 WeakPolarHBondContact O-CB 3.27Å; D1031-M1035 PolarHBondContact O-N 2.74Å; M1035-K1037 VanDerWaalsContact C-N 3.35Å; M1035-K1037 PolarHBondContact O-N 3.43Å; M1035-A1038 PolarHBondContact O-N 3Å; M1035-A1038 VanDerWaalsContact O-N 3.14Å; M1035-F1039 HydrophobicContact CG-CD2 3.66Å; M1035-F1039 HydrophobicContact CG-CE2 3.6Å; M1035-F1039 VanDerWaalsContact O-CD2 3.3Å; M1035-F1039 WeakPolarHBondContact O-CD2 3.2Å; M1035-F1039 PolarHBondContact O-N 3.39Å; M1035-F1039 HydrophobicContact SD-CD2 3.76Å; M1035-F1039 HydrophobicContact SD-CE2 3.47Å; M1035-F1039 WeakPolarHBondContact SD-CE2 3.33Å; M1035-F1039 HydrophobicContact SD-CZ 4.48Å
1036	A	88.5	Confident	75.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.3	-43.6	167.7	0	0	0	0	0	113	A848 A851 S852 I1026 P1032 V1033 N1034 R1040	A848-A1036 WeakPolarHBondContact O-CB 3.32Å; A851-A1036 HydrophobicContact CB-CB 4.26Å; S852-A1036 WeakPolarHBondContact CA-O 3.43Å; I1026-A1036 HydrophobicContact CD1-CB 4.22Å; I1026-A1036 HydrophobicContact CG2-CB 3.85Å; P1032-A1036 WeakPolarHBondContact O-CB 3.42Å; P1032-A1036 PolarHBondContact O-N 3.1Å; V1033-A1036 WeakPolarHBondContact O-CB 3.27Å; N1034-A1036 PolarHBondContact O-N 3.2Å; A1036-R1040 VanDerWaalsContact O-CB 3.32Å; A1036-R1040 WeakPolarHBondContact O-CB 3.21Å; A1036-R1040 PolarHBondContact O-N 3.49Å
1037	K	85.6	Confident	72.8	Confident	97 Å²	97	54.2 Å²	54.2	42%	0.422	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-37.1	172.6	-65.4	178.6	-158.6	154.4	0	113.7	A851 V1033 N1034 M1035 R1040 L1041	A851-K1037 HydrophobicContact CB-CG 4.18Å; V1033-K1037 WeakPolarHBondContact O-CG 3.48Å; V1033-K1037 PolarHBondContact O-N 2.7Å; V1033-K1037 VanDerWaalsContact O-N 3.1Å; N1034-K1037 CarbonylContact O-C 3.59Å; N1034-K1037 WeakPolarHBondContact O-CA 3.23Å; N1034-K1037 WeakPolarHBondContact O-CB 3.4Å; N1034-K1037 PolarHBondContact O-N 2.99Å; N1034-K1037 VanDerWaalsContact OD1-CD 3.32Å; N1034-K1037 WeakPolarHBondContact OD1-CD 3.32Å; N1034-K1037 WeakPolarHBondContact OD1-CE 3.08Å; N1034-K1037 PolarHBondContact OD1-NZ 3.48Å; M1035-K1037 VanDerWaalsContact C-N 3.35Å; M1035-K1037 PolarHBondContact O-N 3.43Å; K1037-R1040 VanDerWaalsContact O-CB 3.31Å; K1037-R1040 WeakPolarHBondContact O-CB 3.41Å; K1037-R1040 PolarHBondContact O-N 3.47Å; K1037-L1041 WeakPolarHBondContact O-CG 3.22Å; K1037-L1041 PolarHBondContact O-N 3.29Å; K1037-L1041 VanDerWaalsContact O-N 3.13Å
1038	A	84.3	Confident	70.3	Confident	37 Å²	37	59.2 Å²	59.2	31%	0.306	33%	0.326	S	S	.	.	H	α-helix	trans	-70	-43.6	-178.9	0	0	0	0	0	110.6	P1006 N1034 M1035 R1040 L1041 A1042	P1006-A1038 HydrophobicContact CG-CB 3.8Å; N1034-A1038 WeakPolarHBondContact O-CB 3.33Å; N1034-A1038 PolarHBondContact O-N 2.73Å; M1035-A1038 PolarHBondContact O-N 3Å; M1035-A1038 VanDerWaalsContact O-N 3.14Å; A1038-R1040 VanDerWaalsContact C-N 3.27Å; A1038-R1040 PolarHBondContact O-N 2.89Å; A1038-L1041 PolarHBondContact O-N 2.97Å; A1038-L1041 VanDerWaalsContact O-N 3.13Å; A1038-A1042 PolarHBondContact O-N 3.13Å
1039	F	88.1	Confident	67.8	Low	1 Å²	1	59.5 Å²	59.5	0%	0.004	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-35.9	168.4	-83.4	-71.9	0	0	0	112	L832 I1003 V1005 P1006 A1009 V1022 A1025 I1026 M1035 L1041 A1042	L832-F1039 HydrophobicContact CD1-CB 4.08Å; L832-F1039 HydrophobicContact CD2-CB 3.55Å; L832-F1039 HydrophobicContact CG-CB 4.48Å; I1003-F1039 HydrophobicContact CG2-CD1 4.47Å; I1003-F1039 HydrophobicContact CG2-CE1 3.52Å; I1003-F1039 HydrophobicContact CG2-CZ 4.12Å; V1005-F1039 VanDerWaalsContact C-CE1 3.45Å; V1005-F1039 VanDerWaalsContact C-CZ 3.49Å; V1005-F1039 WeakPolarHBondContact O-CE1 3.47Å; P1006-F1039 HydrophobicContact CG-CD1 4.46Å; P1006-F1039 HydrophobicContact CG-CD2 4.45Å; P1006-F1039 HydrophobicContact CG-CE1 4.47Å; P1006-F1039 HydrophobicContact CG-CE2 4.49Å; P1006-F1039 HydrophobicContact CG-CG 4.43Å; P1006-F1039 HydrophobicContact CG-CZ 4.49Å; A1009-F1039 HydrophobicContact CB-CD1 3.68Å; A1009-F1039 HydrophobicContact CB-CE1 3.88Å; V1022-F1039 HydrophobicContact CB-CD1 4.47Å; V1022-F1039 HydrophobicContact CB-CE1 4.48Å; V1022-F1039 HydrophobicContact CG1-CD1 4.24Å; V1022-F1039 HydrophobicContact CG1-CD2 4.25Å; V1022-F1039 HydrophobicContact CG1-CE1 3.87Å; V1022-F1039 HydrophobicContact CG1-CE2 3.87Å; V1022-F1039 HydrophobicContact CG1-CG 4.43Å; V1022-F1039 HydrophobicContact CG1-CZ 3.68Å; V1022-F1039 HydrophobicContact CG2-CD1 4.16Å; V1022-F1039 HydrophobicContact CG2-CE1 4.15Å; A1025-F1039 HydrophobicContact CB-CE2 3.86Å; A1025-F1039 HydrophobicContact CB-CZ 3.83Å; I1026-F1039 HydrophobicContact CD1-CB 4.45Å; I1026-F1039 HydrophobicContact CD1-CD2 4.29Å; I1026-F1039 HydrophobicContact CG1-CD2 3.68Å; I1026-F1039 HydrophobicContact CG1-CE2 4.17Å; I1026-F1039 HydrophobicContact CG1-CG 4.42Å; M1035-F1039 HydrophobicContact CG-CD2 3.66Å; M1035-F1039 HydrophobicContact CG-CE2 3.6Å; M1035-F1039 VanDerWaalsContact O-CD2 3.3Å; M1035-F1039 WeakPolarHBondContact O-CD2 3.2Å; M1035-F1039 PolarHBondContact O-N 3.39Å; M1035-F1039 HydrophobicContact SD-CD2 3.76Å; M1035-F1039 HydrophobicContact SD-CE2 3.47Å; M1035-F1039 WeakPolarHBondContact SD-CE2 3.33Å; M1035-F1039 HydrophobicContact SD-CZ 4.48Å; F1039-L1041 PolarHBondContact O-N 3.05Å; F1039-A1042 WeakPolarHBondContact O-CB 3.48Å; F1039-A1042 PolarHBondContact O-N 2.8Å
1040	R	85.5	Confident	65.5	Low	138 Å²	138	60.9 Å²	60.9	52%	0.521	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-25	174	-177.5	-178.9	179	165.4	2.2	113.3	L832 A851 S852 A1036 K1037 A1038 P1043	L832-R1040 HydrophobicContact CD2-CB 4.39Å; A851-R1040 WeakPolarHBondContact O-CD 3.34Å; A851-R1040 PolarHBondContact O-NH1 3.46Å; S852-R1040 WeakPolarHBondContact O-CG 3.34Å; A1036-R1040 VanDerWaalsContact O-CB 3.32Å; A1036-R1040 WeakPolarHBondContact O-CB 3.21Å; A1036-R1040 PolarHBondContact O-N 3.49Å; K1037-R1040 VanDerWaalsContact O-CB 3.31Å; K1037-R1040 WeakPolarHBondContact O-CB 3.41Å; K1037-R1040 PolarHBondContact O-N 3.47Å; A1038-R1040 VanDerWaalsContact C-N 3.27Å; A1038-R1040 PolarHBondContact O-N 2.89Å; R1040-P1043 VanDerWaalsContact O-CD 3.23Å; R1040-P1043 WeakPolarHBondContact O-CD 3.46Å
1041	L	75.9	Confident	63.3	Low	137 Å²	137	62.1 Å²	62.1	72%	0.717	36%	0.363	S	S	*	.	H	α-helix	trans	-88.1	-19.1	179.6	-68.1	173.7	0	0	0	114.4	K1037 A1038 F1039	K1037-L1041 WeakPolarHBondContact O-CG 3.22Å; K1037-L1041 PolarHBondContact O-N 3.29Å; K1037-L1041 VanDerWaalsContact O-N 3.13Å; A1038-L1041 PolarHBondContact O-N 2.97Å; A1038-L1041 VanDerWaalsContact O-N 3.13Å; F1039-L1041 PolarHBondContact O-N 3.05Å
1042	A	63.1	Low	61.3	Low	22 Å²	22	64.7 Å²	64.7	18%	0.182	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.2	177.2	0	0	0	0	0	116.8	P1006 A1009 A1010 A1038 F1039 A1044	P1006-A1042 HydrophobicContact CB-CB 4.42Å; P1006-A1042 WeakPolarHBondContact O-CB 3.35Å; A1009-A1042 HydrophobicContact CB-CB 4.04Å; A1010-A1042 HydrophobicContact CB-CB 4.17Å; A1038-A1042 PolarHBondContact O-N 3.13Å; F1039-A1042 WeakPolarHBondContact O-CB 3.48Å; F1039-A1042 PolarHBondContact O-N 2.8Å; A1042-A1044 VanDerWaalsContact C-N 3.31Å; A1042-A1044 PolarHBondContact O-N 3.13Å; A1042-A1044 VanDerWaalsContact O-N 3.13Å
1043	P	55	Low	60	Low	35 Å²	35	66.6 Å²	66.6	23%	0.227	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	14.3	-174.4	-20	32.8	0	0	0	118.8	L1013 R1040 D1045	L1013-P1043 HydrophobicContact CD1-CB 3.62Å; L1013-P1043 HydrophobicContact CD1-CG 3.57Å; R1040-P1043 VanDerWaalsContact O-CD 3.23Å; R1040-P1043 WeakPolarHBondContact O-CD 3.46Å; P1043-D1045 PolarHBondContact O-N 2.89Å
1044	A	43.6	Very low	59.3	Low	82 Å²	82	73.6 Å²	73.6	68%	0.678	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.8	-158.4	0	0	0	0	0	118.3	A1042	A1042-A1044 VanDerWaalsContact C-N 3.31Å; A1042-A1044 PolarHBondContact O-N 3.13Å; A1042-A1044 VanDerWaalsContact O-N 3.13Å
1045	D	37.7	Very low	59.4	Low	138 Å²	138	72.5 Å²	72.5	74%	0.738	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	34.2	-171.1	-74.3	-36.5	0	0	0	115.8	P1043	P1043-D1045 PolarHBondContact O-N 2.89Å
1046	R	39	Very low	59.5	Low	89 Å²	89	70.4 Å²	70.4	34%	0.336	41%	0.413	S	S	.	.			trans	-89.8	115.3	-179.3	-133.5	173.4	165.6	-128.2	-10.1	113.2	L1013 G1016 A1017 D1018	L1013-R1046 WeakPolarHBondContact O-CD 3.29Å; L1013-R1046 PolarHBondContact O-NE 2.94Å; G1016-R1046 PolarHBondContact O-NH2 3.3Å; A1017-R1046 VanDerWaalsContact C-CZ 3.46Å; A1017-R1046 PolarHBondContact O-NE 2.86Å; A1017-R1046 VanDerWaalsContact O-NE 3.16Å; A1017-R1046 PolarHBondContact O-NH1 2.88Å; A1017-R1046 PolarHBondContact O-NH2 3.32Å; D1018-R1046 IonicContact OD1-CZ 2.73Å; D1018-R1046 IonicContact OD1-NH1 3.69Å; D1018-R1046 PolarHBondContact OD1-NH1 3.49Å; D1018-R1046 IonicContact OD1-NH2 2.65Å; D1018-R1046 PolarHBondContact OD1-NH2 3.48Å
1047	I	34.4	Very low	59.7	Low	132 Å²	132	70.4 Å²	70.4	68%	0.677	41%	0.413	S	S	*	.			trans	-93	104.2	171.1	-65.4	174.9	0	0	0	109.9
1048	S	32.7	Very low	59.7	Low	105 Å²	105	68.1 Å²	68.1	73%	0.734	41%	0.405	S	S	*	.			trans	43.3	125.9	147.9	66.7	0	0	0	0	123.1
1049	G	30.5	Very low	59.8	Low	74 Å²	74	69 Å²	69	76%	0.763	40%	0.401	S	S	*	.			trans	118.5	117.7	138.5	0	0	0	0	0	115.3
1050	G	31.7	Very low	60	Low	36 Å²	36	70.5 Å²	70.5	37%	0.371	41%	0.406	S	S	.	.			cis	-179	147.5	3.1	0	0	0	0	0	110.4
1051	I	32.4	Very low	60.2	Low	71 Å²	71	70.3 Å²	70.3	36%	0.364	41%	0.405	S	S	.	.	S	Bend	trans	-72.2	126.6	-169.7	-62.4	162.5	0	0	0	112.7	E819 M820 R822 M1053	E819-I1051 HydrophobicContact CG-CD1 3.73Å; E819-I1051 WeakPolarHBondContact OE1-CD1 3.27Å; M820-I1051 VanDerWaalsContact O-CD1 3.29Å; M820-I1051 WeakPolarHBondContact O-CD1 3.43Å; R822-I1051 HydrophobicContact CB-CD1 4.4Å; R822-I1051 HydrophobicContact CB-CG2 3.79Å; R822-I1051 HydrophobicContact CG-CG2 4.32Å; I1051-M1053 PolarHBondContact O-N 3.44Å
1052	G	40.7	Very low	60.7	Low	56 Å²	56	68.8 Å²	68.8	58%	0.577	40%	0.395	S	S	*	.			trans	61.5	34.1	148.1	0	0	0	0	0	119.6
1053	M	57	Low	61.9	Low	42 Å²	42	69 Å²	69	21%	0.207	39%	0.393	C	S	.	.			trans	-73.2	134.2	172.8	-64	178.1	-78.3	0	0	110.8	I1051 D1058 R1059 Q1062 W1297	I1051-M1053 PolarHBondContact O-N 3.44Å; M1053-D1058 HydrophobicContact CB-CB 3.87Å; M1053-D1058 HydrophobicContact CG-CB 3.94Å; M1053-R1059 HydrophobicContact SD-CB 4.08Å; M1053-Q1062 PolarHBondContact SD-NE2 3.1Å; M1053-Q1062 PolarHBondContact SD-OE1 3.18Å; M1053-W1297 HydrophobicContact CB-CH2 3.44Å; M1053-W1297 VanDerWaalsContact CB-CH2 3.44Å; M1053-W1297 HydrophobicContact CB-CZ3 3.9Å; M1053-W1297 HydrophobicContact CE-CZ3 4.07Å; M1053-W1297 HydrophobicContact SD-CZ3 4.05Å
1054	K	68.3	Low	63.6	Low	169 Å²	169	71.9 Å²	71.9	74%	0.735	41%	0.406	S	S	*	.			trans	-106.9	-27.3	-175.7	-67.5	-171	-178.7	-174	0	114.3	D1058	K1054-D1058 PolarHBondContact N-OD2 3.47Å
1055	T	84.2	Confident	65.9	Low	17 Å²	17	69 Å²	69	10%	0.104	38%	0.378	C	S	.	.	S	Bend	trans	-136	162.9	179.4	68.3	0	0	0	0	110.8	S1057 D1058 E1259 W1297	T1055-S1057 PolarHBondContact O-N 2.92Å; T1055-S1057 VanDerWaalsContact O-N 3.13Å; T1055-S1057 WeakPolarHBondContact OG1-CB 3.32Å; T1055-S1057 PolarHBondContact OG1-N 2.77Å; T1055-D1058 PolarHBondContact N-OD2 2.6Å; T1055-D1058 WeakPolarHBondContact O-CB 3.41Å; T1055-D1058 PolarHBondContact O-N 3.29Å; T1055-E1259 HydrophobicContact CG2-CG 4.45Å; T1055-E1259 PolarHBondContact OG1-OE1 2.72Å; T1055-W1297 VanDerWaalsContact O-CZ2 3.23Å; T1055-W1297 WeakPolarHBondContact O-CZ2 3.28Å
1056	F	91	Very high	68.3	Low	0 Å²	0	67 Å²	67	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-24	176.5	-174.2	-112.9	0	0	0	112.2	D1058 R1059 W1060 Y1237 L1258 D1262 E1293 H1294 W1297	F1056-D1058 PolarHBondContact O-N 3.39Å; F1056-R1059 HydrophobicContact CD2-CB 4.05Å; F1056-R1059 HydrophobicContact CD2-CG 4.21Å; F1056-R1059 HydrophobicContact CE2-CB 4.28Å; F1056-R1059 HydrophobicContact CE2-CG 3.98Å; F1056-R1059 PolarHBondContact O-N 2.86Å; F1056-W1060 HydrophobicContact CD1-CB 4.41Å; F1056-W1060 HydrophobicContact CE1-CB 4.17Å; F1056-W1060 VanDerWaalsContact O-CB 3.31Å; F1056-W1060 WeakPolarHBondContact O-CB 3.31Å; F1056-W1060 PolarHBondContact O-N 2.75Å; F1056-Y1237 HydrophobicContact CD1-CE1 4.46Å; F1056-Y1237 HydrophobicContact CE1-CD1 4.08Å; F1056-Y1237 AromaticContact CE1-CE1 3.74Å; F1056-Y1237 HydrophobicContact CE1-CE1 3.74Å; F1056-L1258 HydrophobicContact CD1-CD1 3.82Å; F1056-L1258 HydrophobicContact CD1-CD2 4.34Å; F1056-L1258 HydrophobicContact CD1-CG 4.04Å; F1056-L1258 HydrophobicContact CE1-CD1 4.07Å; F1056-D1262 WeakPolarHBondContact CB-OD2 3.48Å; F1056-D1262 PolarHBondContact N-OD2 3.06Å; F1056-E1293 HydrophobicContact CE2-CB 4.14Å; F1056-E1293 HydrophobicContact CZ-CB 4.09Å; F1056-H1294 HydrophobicContact CD1-CB 3.97Å; F1056-H1294 AromaticContact CD1-CD2 3.43Å; F1056-H1294 VanDerWaalsContact CD1-CD2 3.43Å; F1056-H1294 WeakPolarHBondContact CD1-CD2 3.23Å; F1056-H1294 AromaticContact CD1-CE1 3.73Å; F1056-H1294 AromaticContact CD1-CG 3.45Å; F1056-H1294 VanDerWaalsContact CD1-CG 3.45Å; F1056-H1294 AromaticContact CD1-ND1 3.66Å; F1056-H1294 AromaticContact CD1-NE2 3.66Å; F1056-H1294 HydrophobicContact CD2-CB 4.28Å; F1056-H1294 AromaticContact CD2-CD2 3.77Å; F1056-H1294 HydrophobicContact CE1-CB 3.59Å; F1056-H1294 AromaticContact CE1-CG 3.59Å; F1056-H1294 AromaticContact CE1-ND1 3.89Å; F1056-H1294 HydrophobicContact CE2-CB 3.91Å; F1056-H1294 HydrophobicContact CG-CB 4.3Å; F1056-H1294 AromaticContact CG-CD2 3.28Å; F1056-H1294 WeakPolarHBondContact CG-CD2 3.39Å; F1056-H1294 AromaticContact CG-CG 3.76Å; F1056-H1294 AromaticContact CG-NE2 3.65Å; F1056-H1294 VanDerWaalsContact CZ-CA 3.5Å; F1056-H1294 HydrophobicContact CZ-CB 3.54Å; F1056-H1294 AromaticContact CZ-CG 4Å; F1056-W1297 HydrophobicContact CB-CD2 4.3Å; F1056-W1297 HydrophobicContact CB-CG 4Å; F1056-W1297 HydrophobicContact CD2-CB 3.49Å; F1056-W1297 VanDerWaalsContact CD2-CB 3.49Å; F1056-W1297 AromaticContact CD2-CD1 3.91Å; F1056-W1297 AromaticContact CD2-CD2 3.92Å; F1056-W1297 HydrophobicContact CD2-CD2 3.92Å; F1056-W1297 HydrophobicContact CD2-CE3 4.44Å; F1056-W1297 AromaticContact CD2-CG 3.47Å; F1056-W1297 HydrophobicContact CD2-CG 3.47Å; F1056-W1297 VanDerWaalsContact CD2-CG 3.47Å; F1056-W1297 HydrophobicContact CE2-CB 4Å; F1056-W1297 HydrophobicContact CE2-CG 4.42Å; F1056-W1297 HydrophobicContact CG-CB 4.47Å; F1056-W1297 HydrophobicContact CG-CG 4.17Å
1057	S	92.1	Very high	70.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-56.5	-38.4	171.8	-59.5	0	0	0	0	112.7	T1055 W1060 R1061 E1259	T1055-S1057 PolarHBondContact O-N 2.92Å; T1055-S1057 VanDerWaalsContact O-N 3.13Å; T1055-S1057 WeakPolarHBondContact OG1-CB 3.32Å; T1055-S1057 PolarHBondContact OG1-N 2.77Å; S1057-W1060 PolarHBondContact O-N 2.94Å; S1057-R1061 WeakPolarHBondContact O-CG 3.18Å; S1057-R1061 PolarHBondContact O-N 3.3Å; S1057-R1061 VanDerWaalsContact O-N 3.09Å; S1057-E1259 VanDerWaalsContact CB-OE1 3.32Å; S1057-E1259 WeakPolarHBondContact CB-OE1 3.37Å; S1057-E1259 VanDerWaalsContact OG-CD 3.31Å; S1057-E1259 WeakPolarHBondContact OG-CG 3.47Å; S1057-E1259 PolarHBondContact OG-OE1 3.47Å
1058	D	86.1	Confident	73.6	Confident	49 Å²	49	60.1 Å²	60.1	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-67.4	-41.1	179.3	-61.1	-31.1	0	0	0	110.7	M1053 K1054 T1055 F1056 R1061	M1053-D1058 HydrophobicContact CB-CB 3.87Å; M1053-D1058 HydrophobicContact CG-CB 3.94Å; K1054-D1058 PolarHBondContact N-OD2 3.47Å; T1055-D1058 PolarHBondContact N-OD2 2.6Å; T1055-D1058 WeakPolarHBondContact O-CB 3.41Å; T1055-D1058 PolarHBondContact O-N 3.29Å; F1056-D1058 PolarHBondContact O-N 3.39Å; D1058-R1061 IonicContact OD1-NH1 2.79Å; D1058-R1061 PolarHBondContact OD1-NH1 3.12Å
1059	R	86.8	Confident	76.5	Confident	57 Å²	57	59.5 Å²	59.5	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-45.8	173.9	178.4	56.6	179.8	172.4	0.1	112	M1053 F1056 R1061 Q1062 L1063 E1293 W1297	M1053-R1059 HydrophobicContact SD-CB 4.08Å; F1056-R1059 HydrophobicContact CD2-CB 4.05Å; F1056-R1059 HydrophobicContact CD2-CG 4.21Å; F1056-R1059 HydrophobicContact CE2-CB 4.28Å; F1056-R1059 HydrophobicContact CE2-CG 3.98Å; F1056-R1059 PolarHBondContact O-N 2.86Å; R1059-R1061 VanDerWaalsContact C-N 3.27Å; R1059-R1061 PolarHBondContact O-N 3.42Å; R1059-Q1062 WeakPolarHBondContact O-CB 3.43Å; R1059-Q1062 PolarHBondContact O-N 3.39Å; R1059-L1063 HydrophobicContact CG-CD1 4.48Å; R1059-E1293 IonicContact CZ-OE2 3.75Å; R1059-E1293 IonicContact NE-OE2 3.5Å; R1059-E1293 PolarHBondContact NE-OE2 3.03Å; R1059-E1293 IonicContact NH2-OE2 2.68Å; R1059-E1293 PolarHBondContact NH2-OE2 3.13Å; R1059-W1297 HydrophobicContact CB-CD2 4.36Å; R1059-W1297 HydrophobicContact CB-CE3 3.6Å; R1059-W1297 HydrophobicContact CB-CZ3 3.7Å; R1059-W1297 HydrophobicContact CG-CE3 3.98Å; R1059-W1297 HydrophobicContact CG-CZ3 4.38Å
1060	W	92.9	Very high	79.4	Confident	31 Å²	31	62 Å²	62	12%	0.117	32%	0.315	C	S	.	.	H	α-helix	trans	-58.2	-38.6	-179.9	178.5	90.8	0	0	0	111.8	F1056 S1057 Q1062 L1063 Y1237 E1239 F1254 F1255 L1258	F1056-W1060 HydrophobicContact CD1-CB 4.41Å; F1056-W1060 HydrophobicContact CE1-CB 4.17Å; F1056-W1060 VanDerWaalsContact O-CB 3.31Å; F1056-W1060 WeakPolarHBondContact O-CB 3.31Å; F1056-W1060 PolarHBondContact O-N 2.75Å; S1057-W1060 PolarHBondContact O-N 2.94Å; W1060-Q1062 PolarHBondContact O-N 2.82Å; W1060-L1063 WeakPolarHBondContact O-CB 3.16Å; W1060-L1063 PolarHBondContact O-N 3.26Å; W1060-Y1237 WeakPolarHBondContact CZ2-O 3.42Å; W1060-Y1237 PolarHBondContact NE1-O 3.03Å; W1060-E1239 HydrophobicContact CH2-CB 3.64Å; W1060-E1239 HydrophobicContact CH2-CG 4.47Å; W1060-E1239 WeakPolarHBondContact CH2-OE2 3.39Å; W1060-E1239 HydrophobicContact CZ2-CB 3.88Å; W1060-F1254 HydrophobicContact CD2-CE1 4.14Å; W1060-F1254 HydrophobicContact CD2-CZ 4.45Å; W1060-F1254 AromaticContact CE2-CE1 3.85Å; W1060-F1254 AromaticContact CE2-CZ 3.79Å; W1060-F1254 HydrophobicContact CE3-CE1 4.29Å; W1060-F1254 AromaticContact CH2-CE1 3.98Å; W1060-F1254 HydrophobicContact CH2-CE1 3.98Å; W1060-F1254 HydrophobicContact CH2-CZ 4.39Å; W1060-F1254 AromaticContact CZ2-CE1 3.78Å; W1060-F1254 HydrophobicContact CZ2-CE1 3.78Å; W1060-F1254 AromaticContact CZ2-CZ 3.76Å; W1060-F1254 HydrophobicContact CZ2-CZ 3.76Å; W1060-F1254 HydrophobicContact CZ3-CE1 4.22Å; W1060-F1254 AromaticContact NE1-CZ 3.98Å; W1060-F1255 AromaticContact CE3-CE1 3.88Å; W1060-F1255 HydrophobicContact CE3-CE1 3.88Å; W1060-F1255 HydrophobicContact CE3-CZ 4.26Å; W1060-F1255 AromaticContact CZ3-CE1 3.96Å; W1060-F1255 HydrophobicContact CZ3-CE1 3.96Å; W1060-F1255 AromaticContact CZ3-CZ 3.85Å; W1060-F1255 HydrophobicContact CZ3-CZ 3.85Å; W1060-L1258 HydrophobicContact CB-CD2 4.02Å; W1060-L1258 HydrophobicContact CD2-CD2 4.34Å; W1060-L1258 HydrophobicContact CG-CD2 3.97Å
1061	R	89.5	Confident	82.4	Confident	134 Å²	134	65.3 Å²	65.3	51%	0.506	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.4	176.2	-71.9	178.5	-161	111.2	3.4	114.1	S1057 D1058 R1059	S1057-R1061 WeakPolarHBondContact O-CG 3.18Å; S1057-R1061 PolarHBondContact O-N 3.3Å; S1057-R1061 VanDerWaalsContact O-N 3.09Å; D1058-R1061 IonicContact OD1-NH1 2.79Å; D1058-R1061 PolarHBondContact OD1-NH1 3.12Å; R1059-R1061 VanDerWaalsContact C-N 3.27Å; R1059-R1061 PolarHBondContact O-N 3.42Å
1062	Q	85.8	Confident	85.4	Confident	106 Å²	106	62 Å²	62	50%	0.495	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.6	175.1	-60.4	172.6	-4.1	0	0	112.7	M1053 R1059 W1060	M1053-Q1062 PolarHBondContact SD-NE2 3.1Å; M1053-Q1062 PolarHBondContact SD-OE1 3.18Å; R1059-Q1062 WeakPolarHBondContact O-CB 3.43Å; R1059-Q1062 PolarHBondContact O-N 3.39Å; W1060-Q1062 PolarHBondContact O-N 2.82Å
1063	L	89.3	Confident	87.8	Confident	27 Å²	27	63.2 Å²	63.2	14%	0.141	29%	0.292	C	S	.	.			trans	-97	117.1	-177	-62.8	176.5	0	0	0	109.6	R1059 W1060 I1068 M1290 E1293	R1059-L1063 HydrophobicContact CG-CD1 4.48Å; W1060-L1063 WeakPolarHBondContact O-CB 3.16Å; W1060-L1063 PolarHBondContact O-N 3.26Å; L1063-I1068 HydrophobicContact CB-CD1 3.95Å; L1063-I1068 HydrophobicContact CD2-CD1 4.39Å; L1063-M1290 HydrophobicContact CB-CE 3.91Å; L1063-M1290 HydrophobicContact CB-SD 4.24Å; L1063-M1290 HydrophobicContact CD1-SD 3.74Å; L1063-E1293 HydrophobicContact CD1-CB 4.02Å; L1063-E1293 HydrophobicContact CD1-CG 3.86Å
1064	D	90.1	Very high	89.5	Confident	95 Å²	95	63.9 Å²	63.9	51%	0.508	31%	0.31	S	S	.	.			trans	-88.5	121.5	176	-174.2	-72.2	0	0	0	110.7	D1066 D1067 I1068	D1064-D1066 VanDerWaalsContact C-N 3.31Å; D1064-D1066 PolarHBondContact O-N 3.2Å; D1064-D1066 WeakPolarHBondContact OD1-CA 3.37Å; D1064-D1066 PolarHBondContact OD1-N 3.32Å; D1064-D1067 HydrophobicContact CB-CB 3.87Å; D1064-D1067 PolarHBondContact OD1-N 3.33Å; D1064-I1068 WeakPolarHBondContact O-CB 2.98Å; D1064-I1068 WeakPolarHBondContact O-CD1 3.41Å; D1064-I1068 VanDerWaalsContact O-CG1 3.25Å; D1064-I1068 WeakPolarHBondContact O-CG1 3.3Å; D1064-I1068 PolarHBondContact O-N 3.03Å
1065	W	91.2	Very high	90.8	Very high	22 Å²	22	57.3 Å²	57.3	8%	0.083	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-38.7	-176.8	-176.6	-84.9	0	0	0	112.7	R1069 H1238 N1283 V1286 D1287 M1290	W1065-R1069 WeakPolarHBondContact O-CB 3.21Å; W1065-R1069 PolarHBondContact O-N 2.73Å; W1065-R1069 VanDerWaalsContact O-N 3.1Å; W1065-H1238 AromaticContact CD1-CD2 3.97Å; W1065-H1238 HydrophobicContact CD2-CB 4.04Å; W1065-H1238 AromaticContact CD2-CD2 3.58Å; W1065-H1238 AromaticContact CE2-CD2 3.88Å; W1065-H1238 HydrophobicContact CE3-CB 3.8Å; W1065-H1238 AromaticContact CE3-CD2 3.99Å; W1065-H1238 AromaticContact CG-CD2 3.7Å; W1065-H1238 HydrophobicContact CH2-CB 3.62Å; W1065-H1238 HydrophobicContact CZ2-CB 3.83Å; W1065-H1238 HydrophobicContact CZ3-CB 3.6Å; W1065-N1283 HydrophobicContact CZ2-CB 4.45Å; W1065-V1286 HydrophobicContact CD2-CB 4.23Å; W1065-V1286 HydrophobicContact CD2-CG1 3.45Å; W1065-V1286 VanDerWaalsContact CD2-CG1 3.45Å; W1065-V1286 HydrophobicContact CE3-CB 4.46Å; W1065-V1286 HydrophobicContact CE3-CG1 3.52Å; W1065-V1286 HydrophobicContact CG-CG1 4Å; W1065-V1286 HydrophobicContact CH2-CB 4.07Å; W1065-V1286 HydrophobicContact CH2-CG1 3.96Å; W1065-V1286 HydrophobicContact CZ2-CB 3.84Å; W1065-V1286 HydrophobicContact CZ2-CG1 3.93Å; W1065-V1286 HydrophobicContact CZ3-CB 4.38Å; W1065-V1286 HydrophobicContact CZ3-CG1 3.77Å; W1065-D1287 HydrophobicContact CH2-CB 4.22Å; W1065-D1287 WeakPolarHBondContact CH2-OD1 3.33Å; W1065-M1290 HydrophobicContact CE3-CE 4.04Å; W1065-M1290 HydrophobicContact CE3-CG 4.49Å; W1065-M1290 HydrophobicContact CZ3-CG 4.22Å
1066	D	89.2	Confident	91.3	Very high	94 Å²	94	59.9 Å²	59.9	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-82.1	-34.9	-176.8	-74.4	-33.2	0	0	0	112	D1064 R1069 L1070	D1064-D1066 VanDerWaalsContact C-N 3.31Å; D1064-D1066 PolarHBondContact O-N 3.2Å; D1064-D1066 WeakPolarHBondContact OD1-CA 3.37Å; D1064-D1066 PolarHBondContact OD1-N 3.32Å; D1066-R1069 WeakPolarHBondContact O-CB 3.47Å; D1066-R1069 PolarHBondContact O-N 3.15Å; D1066-L1070 WeakPolarHBondContact O-CG 3.31Å; D1066-L1070 PolarHBondContact O-N 3.25Å
1067	D	90.2	Very high	91.5	Very high	74 Å²	74	62.2 Å²	62.2	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-49.9	169.7	179.3	67.8	0	0	0	111	D1064 R1069 L1070 R1071	D1064-D1067 HydrophobicContact CB-CB 3.87Å; D1064-D1067 PolarHBondContact OD1-N 3.33Å; D1067-R1069 VanDerWaalsContact C-N 3.27Å; D1067-R1069 PolarHBondContact O-N 2.59Å; D1067-L1070 PolarHBondContact O-N 3.08Å; D1067-L1070 VanDerWaalsContact O-N 3.09Å; D1067-R1071 WeakPolarHBondContact O-CB 3.01Å; D1067-R1071 WeakPolarHBondContact O-CG 3.44Å; D1067-R1071 PolarHBondContact O-N 3.44Å; D1067-R1071 VanDerWaalsContact OD2-CD 3.24Å; D1067-R1071 WeakPolarHBondContact OD2-CD 3.42Å
1068	I	93.4	Very high	91.5	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-43.2	177.3	-69	164.7	0	0	0	110.1	L1063 D1064 L1070 R1071 I1072 M1095 V1286 Y1289 M1290	L1063-I1068 HydrophobicContact CB-CD1 3.95Å; L1063-I1068 HydrophobicContact CD2-CD1 4.39Å; D1064-I1068 WeakPolarHBondContact O-CB 2.98Å; D1064-I1068 WeakPolarHBondContact O-CD1 3.41Å; D1064-I1068 VanDerWaalsContact O-CG1 3.25Å; D1064-I1068 WeakPolarHBondContact O-CG1 3.3Å; D1064-I1068 PolarHBondContact O-N 3.03Å; I1068-L1070 PolarHBondContact O-N 2.83Å; I1068-R1071 PolarHBondContact O-N 3.43Å; I1068-I1072 HydrophobicContact CG2-CD1 3.68Å; I1068-I1072 HydrophobicContact CG2-CG1 4.32Å; I1068-I1072 WeakPolarHBondContact O-CB 3.29Å; I1068-I1072 VanDerWaalsContact O-CG1 3.28Å; I1068-I1072 WeakPolarHBondContact O-CG1 3.46Å; I1068-I1072 PolarHBondContact O-N 2.86Å; I1068-M1095 HydrophobicContact CG1-CE 4.14Å; I1068-M1095 HydrophobicContact CG2-CE 4.29Å; I1068-V1286 HydrophobicContact CB-CG1 4.37Å; I1068-V1286 HydrophobicContact CG2-CG1 3.98Å; I1068-V1286 HydrophobicContact CG2-CG2 4.33Å; I1068-Y1289 HydrophobicContact CD1-CD1 3.97Å; I1068-Y1289 HydrophobicContact CD1-CE1 3.83Å; I1068-Y1289 HydrophobicContact CG1-CD1 4.31Å; I1068-Y1289 HydrophobicContact CG1-CE1 4.09Å; I1068-Y1289 HydrophobicContact CG2-CD1 3.48Å; I1068-Y1289 VanDerWaalsContact CG2-CD1 3.48Å; I1068-Y1289 HydrophobicContact CG2-CE1 4.01Å; I1068-Y1289 HydrophobicContact CG2-CG 3.97Å; I1068-M1290 HydrophobicContact CD1-CE 3.6Å; I1068-M1290 HydrophobicContact CD1-SD 4.2Å
1069	R	93.6	Very high	91.9	Very high	92 Å²	92	64 Å²	64	35%	0.347	33%	0.332	S	S	.	.	H	α-helix	trans	-56.8	-48.3	174.3	173.3	176.1	-176.5	155.8	2.9	111.7	W1065 D1066 D1067 N1073 D1282 N1283 V1286	W1065-R1069 WeakPolarHBondContact O-CB 3.21Å; W1065-R1069 PolarHBondContact O-N 2.73Å; W1065-R1069 VanDerWaalsContact O-N 3.1Å; D1066-R1069 WeakPolarHBondContact O-CB 3.47Å; D1066-R1069 PolarHBondContact O-N 3.15Å; D1067-R1069 VanDerWaalsContact C-N 3.27Å; D1067-R1069 PolarHBondContact O-N 2.59Å; R1069-N1073 PolarHBondContact O-N 3.09Å; R1069-N1073 VanDerWaalsContact O-N 3.16Å; R1069-N1073 PolarHBondContact O-ND2 3.15Å; R1069-D1282 IonicContact NH1-OD2 2.73Å; R1069-D1282 PolarHBondContact NH1-OD2 3.45Å; R1069-D1282 VanDerWaalsContact NH1-OD2 3.09Å; R1069-N1283 WeakPolarHBondContact CG-ND2 3.11Å; R1069-V1286 HydrophobicContact CB-CG2 3.79Å
1070	L	91.3	Very high	92.3	Very high	126 Å²	126	61.2 Å²	61.2	66%	0.66	32%	0.322	S	S	*	.	H	α-helix	trans	-65.7	-44.3	-179.6	-73.4	170.3	0	0	0	111.3	D1066 D1067 I1068 N1073 G1074	D1066-L1070 WeakPolarHBondContact O-CG 3.31Å; D1066-L1070 PolarHBondContact O-N 3.25Å; D1067-L1070 PolarHBondContact O-N 3.08Å; D1067-L1070 VanDerWaalsContact O-N 3.09Å; I1068-L1070 PolarHBondContact O-N 2.83Å; L1070-N1073 PolarHBondContact O-N 2.67Å; L1070-G1074 PolarHBondContact O-N 3.43Å
1071	R	95	Very high	92.4	Very high	106 Å²	106	64 Å²	64	40%	0.4	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-47	178.2	-72.5	-179.3	62.7	173.1	0.1	112.3	D1067 I1068 N1073 G1074 K1075 D1092 M1095	D1067-R1071 WeakPolarHBondContact O-CB 3.01Å; D1067-R1071 WeakPolarHBondContact O-CG 3.44Å; D1067-R1071 PolarHBondContact O-N 3.44Å; D1067-R1071 VanDerWaalsContact OD2-CD 3.24Å; D1067-R1071 WeakPolarHBondContact OD2-CD 3.42Å; I1068-R1071 PolarHBondContact O-N 3.43Å; R1071-N1073 VanDerWaalsContact C-N 3.34Å; R1071-N1073 PolarHBondContact O-N 3.14Å; R1071-G1074 PolarHBondContact O-N 3.42Å; R1071-K1075 WeakPolarHBondContact O-CG 3.13Å; R1071-K1075 PolarHBondContact O-N 3.34Å; R1071-D1092 IonicContact CZ-OD1 3.55Å; R1071-D1092 IonicContact NE-OD1 3.56Å; R1071-D1092 IonicContact NH2-OD1 3.8Å; R1071-D1092 PolarHBondContact NH2-OD1 2.84Å; R1071-M1095 HydrophobicContact CB-SD 3.65Å
1072	I	94.8	Very high	92.5	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-43.9	176.6	-68.9	170.4	0	0	0	110.9	I1068 G1074 M1095 S1099 R1285 Y1289	I1068-I1072 HydrophobicContact CG2-CD1 3.68Å; I1068-I1072 HydrophobicContact CG2-CG1 4.32Å; I1068-I1072 WeakPolarHBondContact O-CB 3.29Å; I1068-I1072 VanDerWaalsContact O-CG1 3.28Å; I1068-I1072 WeakPolarHBondContact O-CG1 3.46Å; I1068-I1072 PolarHBondContact O-N 2.86Å; I1072-G1074 VanDerWaalsContact C-N 3.32Å; I1072-G1074 PolarHBondContact O-N 2.98Å; I1072-M1095 HydrophobicContact CG1-CB 3.74Å; I1072-M1095 HydrophobicContact CG1-CG 3.81Å; I1072-M1095 HydrophobicContact CG1-SD 4.34Å; I1072-S1099 WeakPolarHBondContact O-CB 3.43Å; I1072-R1285 HydrophobicContact CD1-CB 4.39Å; I1072-R1285 HydrophobicContact CG2-CB 4.3Å; I1072-Y1289 HydrophobicContact CD1-CG 4.32Å
1073	N	92.5	Very high	92.9	Very high	81 Å²	81	61.5 Å²	61.5	43%	0.433	32%	0.322	S	S	.	.	H	α-helix	trans	-74.6	-21	-179.4	-73.2	-63.9	0	0	0	113.5	R1069 L1070 R1071	R1069-N1073 PolarHBondContact O-N 3.09Å; R1069-N1073 VanDerWaalsContact O-N 3.16Å; R1069-N1073 PolarHBondContact O-ND2 3.15Å; L1070-N1073 PolarHBondContact O-N 2.67Å; R1071-N1073 VanDerWaalsContact C-N 3.34Å; R1071-N1073 PolarHBondContact O-N 3.14Å
1074	G	92.1	Very high	93	Very high	56 Å²	56	61.3 Å²	61.3	58%	0.577	32%	0.321	S	S	*	.	H	α-helix	trans	-83.1	-9.1	177.9	0	0	0	0	0	115.2	L1070 R1071 I1072	L1070-G1074 PolarHBondContact O-N 3.43Å; R1071-G1074 PolarHBondContact O-N 3.42Å; I1072-G1074 VanDerWaalsContact C-N 3.32Å; I1072-G1074 PolarHBondContact O-N 2.98Å
1075	K	96.3	Very high	93	Very high	31 Å²	31	63.3 Å²	63.3	14%	0.135	33%	0.332	C	S	.	.			trans	-65.2	139.2	179	-63.8	-67.5	179.6	-172.8	0	111.8	R1071 D1079 D1092 A1096 A1101	R1071-K1075 WeakPolarHBondContact O-CG 3.13Å; R1071-K1075 PolarHBondContact O-N 3.34Å; K1075-D1079 HydrophobicContact CB-CB 4.42Å; K1075-D1079 HydrophobicContact CD-CB 4.02Å; K1075-D1092 IonicContact NZ-OD1 2.73Å; K1075-D1092 PolarHBondContact NZ-OD1 2.59Å; K1075-D1092 IonicContact NZ-OD2 3.71Å; K1075-D1092 PolarHBondContact NZ-OD2 3.44Å; K1075-A1096 HydrophobicContact CB-CB 4.44Å; K1075-A1096 HydrophobicContact CD-CB 4.09Å; K1075-A1096 HydrophobicContact CG-CB 4.18Å; K1075-A1101 WeakPolarHBondContact O-CB 3.28Å
1076	T	94.5	Very high	92.7	Very high	72 Å²	72	63.5 Å²	63.5	44%	0.442	34%	0.338	S	S	.	.			trans	-100.9	171.3	-177.5	69.8	0	0	0	0	111.8	A1078 D1079 V1080	T1076-A1078 VanDerWaalsContact C-N 3.26Å; T1076-A1078 PolarHBondContact O-N 3.44Å; T1076-A1078 PolarHBondContact OG1-N 2.91Å; T1076-D1079 WeakPolarHBondContact CB-OD2 3.19Å; T1076-D1079 PolarHBondContact N-OD2 3.32Å; T1076-D1079 PolarHBondContact O-N 3.33Å; T1076-D1079 PolarHBondContact OG1-N 3.34Å; T1076-D1079 PolarHBondContact OG1-OD2 3.36Å; T1076-V1080 WeakPolarHBondContact O-CG2 2.9Å; T1076-V1080 PolarHBondContact O-N 3Å
1077	A	94.4	Very high	92.2	Very high	48 Å²	48	64.8 Å²	64.8	40%	0.397	36%	0.355	S	S	.	.	H	α-helix	trans	-57.8	-37.8	172	0	0	0	0	0	112.6	V1080 E1081 Y1105	A1077-V1080 WeakPolarHBondContact O-CB 3.26Å; A1077-V1080 PolarHBondContact O-N 2.95Å; A1077-E1081 WeakPolarHBondContact O-CG 3.13Å; A1077-E1081 PolarHBondContact O-N 3.07Å; A1077-Y1105 HydrophobicContact CB-CE2 4.13Å; A1077-Y1105 WeakPolarHBondContact CB-OH 3.31Å
1078	A	92	Very high	91.5	Very high	48 Å²	48	68.4 Å²	68.4	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-40	177.8	0	0	0	0	0	112.1	T1076 V1080 E1081 W1082	T1076-A1078 VanDerWaalsContact C-N 3.26Å; T1076-A1078 PolarHBondContact O-N 3.44Å; T1076-A1078 PolarHBondContact OG1-N 2.91Å; A1078-V1080 VanDerWaalsContact C-N 3.28Å; A1078-V1080 PolarHBondContact O-N 3.47Å; A1078-E1081 PolarHBondContact O-N 2.99Å; A1078-W1082 PolarHBondContact O-N 2.98Å
1079	D	95.5	Very high	91.2	Very high	38 Å²	38	69.4 Å²	69.4	20%	0.203	38%	0.375	C	S	.	.	H	α-helix	trans	-61.7	-39	175.1	-58.2	-57.5	0	0	0	111.3	K1075 T1076 W1082 A1083 A1096	K1075-D1079 HydrophobicContact CB-CB 4.42Å; K1075-D1079 HydrophobicContact CD-CB 4.02Å; T1076-D1079 WeakPolarHBondContact CB-OD2 3.19Å; T1076-D1079 PolarHBondContact N-OD2 3.32Å; T1076-D1079 PolarHBondContact O-N 3.33Å; T1076-D1079 PolarHBondContact OG1-N 3.34Å; T1076-D1079 PolarHBondContact OG1-OD2 3.36Å; D1079-W1082 PolarHBondContact O-N 3.48Å; D1079-A1083 WeakPolarHBondContact O-CB 3.3Å; D1079-A1083 PolarHBondContact O-N 2.86Å; D1079-A1096 HydrophobicContact CB-CB 4.15Å
1080	V	95.3	Very high	90.9	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-66.1	-41.4	175.4	178.2	0	0	0	0	111.1	T1076 A1077 A1078 A1083 L1084 A1096 L1097 A1101 A1102 Y1105	T1076-V1080 WeakPolarHBondContact O-CG2 2.9Å; T1076-V1080 PolarHBondContact O-N 3Å; A1077-V1080 WeakPolarHBondContact O-CB 3.26Å; A1077-V1080 PolarHBondContact O-N 2.95Å; A1078-V1080 VanDerWaalsContact C-N 3.28Å; A1078-V1080 PolarHBondContact O-N 3.47Å; V1080-A1083 PolarHBondContact O-N 2.8Å; V1080-L1084 HydrophobicContact CG1-CD1 3.96Å; V1080-L1084 HydrophobicContact CG1-CG 4.36Å; V1080-L1084 VanDerWaalsContact O-CB 3.32Å; V1080-L1084 WeakPolarHBondContact O-CB 3.42Å; V1080-L1084 VanDerWaalsContact O-CG 3.28Å; V1080-L1084 WeakPolarHBondContact O-CG 3.37Å; V1080-L1084 PolarHBondContact O-N 2.92Å; V1080-A1096 HydrophobicContact CG2-CB 4.49Å; V1080-L1097 HydrophobicContact CG1-CD2 4.39Å; V1080-A1101 HydrophobicContact CG2-CB 4.15Å; V1080-A1102 HydrophobicContact CG1-CB 4.12Å; V1080-A1102 HydrophobicContact CG2-CB 3.93Å; V1080-Y1105 HydrophobicContact CB-CD2 4.22Å; V1080-Y1105 HydrophobicContact CB-CE2 4.35Å; V1080-Y1105 HydrophobicContact CG1-CD1 4.32Å; V1080-Y1105 HydrophobicContact CG1-CD2 3.65Å; V1080-Y1105 HydrophobicContact CG1-CE2 4.23Å; V1080-Y1105 HydrophobicContact CG1-CG 3.71Å
1081	E	94.3	Very high	90.8	Very high	90 Å²	90	67.3 Å²	67.3	42%	0.421	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-39.4	176.4	-73.4	174.3	-176.1	0	0	112.4	A1077 A1078 L1084 N1085 Y1105	A1077-E1081 WeakPolarHBondContact O-CG 3.13Å; A1077-E1081 PolarHBondContact O-N 3.07Å; A1078-E1081 PolarHBondContact O-N 2.99Å; E1081-L1084 PolarHBondContact O-N 2.83Å; E1081-N1085 PolarHBondContact O-N 3.39Å; E1081-N1085 VanDerWaalsContact O-N 3.11Å; E1081-N1085 PolarHBondContact O-ND2 3.41Å; E1081-Y1105 HydrophobicContact CG-CE1 3.57Å; E1081-Y1105 WeakPolarHBondContact OE1-CE1 3.19Å; E1081-Y1105 PolarHBondContact OE1-OH 2.8Å
1082	W	92.2	Very high	90.6	Very high	186 Å²	186	64.9 Å²	64.9	71%	0.705	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-50.3	171.8	-80	-22.6	0	0	0	111.7	A1078 D1079 L1084 N1085 A1086	A1078-W1082 PolarHBondContact O-N 2.98Å; D1079-W1082 PolarHBondContact O-N 3.48Å; W1082-L1084 VanDerWaalsContact C-N 3.26Å; W1082-L1084 PolarHBondContact O-N 2.94Å; W1082-N1085 PolarHBondContact O-N 2.96Å; W1082-A1086 PolarHBondContact O-N 3.1Å
1083	A	94	Very high	90.6	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-59	-37.4	176.7	0	0	0	0	0	112.3	D1079 V1080 N1085 D1093 A1096 L1097 R1112	D1079-A1083 WeakPolarHBondContact O-CB 3.3Å; D1079-A1083 PolarHBondContact O-N 2.86Å; V1080-A1083 PolarHBondContact O-N 2.8Å; A1083-N1085 VanDerWaalsContact C-N 3.31Å; A1083-N1085 PolarHBondContact O-N 3.07Å; A1083-D1093 HydrophobicContact CB-CB 3.79Å; A1083-A1096 HydrophobicContact CB-CB 4.21Å; A1083-L1097 HydrophobicContact CB-CD2 3.73Å; A1083-L1097 HydrophobicContact CB-CG 4.09Å; A1083-R1112 PolarHBondContact O-NH1 3.33Å; A1083-R1112 VanDerWaalsContact O-NH1 3.14Å
1084	L	92.1	Very high	90.8	Very high	23 Å²	23	62.1 Å²	62.1	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-71	-20	176.5	-78.7	174.3	0	0	0	114.4	V1080 E1081 W1082 L1097 Y1105 Q1108 L1109 R1112 L1341	V1080-L1084 HydrophobicContact CG1-CD1 3.96Å; V1080-L1084 HydrophobicContact CG1-CG 4.36Å; V1080-L1084 VanDerWaalsContact O-CB 3.32Å; V1080-L1084 WeakPolarHBondContact O-CB 3.42Å; V1080-L1084 VanDerWaalsContact O-CG 3.28Å; V1080-L1084 WeakPolarHBondContact O-CG 3.37Å; V1080-L1084 PolarHBondContact O-N 2.92Å; E1081-L1084 PolarHBondContact O-N 2.83Å; W1082-L1084 VanDerWaalsContact C-N 3.26Å; W1082-L1084 PolarHBondContact O-N 2.94Å; L1084-L1097 HydrophobicContact CD2-CD2 4.46Å; L1084-L1097 HydrophobicContact CG-CD2 4.34Å; L1084-Y1105 HydrophobicContact CD1-CD1 3.84Å; L1084-Y1105 HydrophobicContact CD1-CG 4.17Å; L1084-Q1108 HydrophobicContact CD1-CB 4.07Å; L1084-L1109 HydrophobicContact CD2-CD2 4.26Å; L1084-L1109 HydrophobicContact CD2-CG 4.16Å; L1084-R1112 PolarHBondContact O-NH1 3.12Å; L1084-L1341 HydrophobicContact CD2-CD2 4.12Å
1085	N	89.8	Confident	91.1	Very high	137 Å²	137	59.6 Å²	59.6	73%	0.733	32%	0.32	S	S	*	.	H	α-helix	trans	-101.8	-16.1	177	-71	-49.9	0	0	0	113.5	E1081 W1082 A1083	E1081-N1085 PolarHBondContact O-N 3.39Å; E1081-N1085 VanDerWaalsContact O-N 3.11Å; E1081-N1085 PolarHBondContact O-ND2 3.41Å; W1082-N1085 PolarHBondContact O-N 2.96Å; A1083-N1085 VanDerWaalsContact C-N 3.31Å; A1083-N1085 PolarHBondContact O-N 3.07Å
1086	A	85.3	Confident	91.1	Very high	26 Å²	26	58.2 Å²	58.2	22%	0.215	31%	0.314	C	S	.	.			trans	-61	133.9	177.4	0	0	0	0	0	111.9	W1082 R1112	W1082-A1086 PolarHBondContact O-N 3.1Å; A1086-R1112 PolarHBondContact O-NH1 3.39Å; A1086-R1112 PolarHBondContact O-NH2 3.33Å
1087	S	77.2	Confident	91.3	Very high	121 Å²	121	54.8 Å²	54.8	85%	0.846	29%	0.293	S	S	*	.	S	Bend	trans	-71.8	-34	178	55.3	0	0	0	0	112.6
1088	Q	75.2	Confident	91.4	Very high	150 Å²	150	52.5 Å²	52.5	70%	0.701	27%	0.274	S	S	*	.	S	Bend	trans	-130.1	134.9	170.2	-66.4	-172.2	-1.8	0	0	108.8
1089	L	87.8	Confident	91.6	Very high	25 Å²	25	50.2 Å²	50.2	13%	0.131	26%	0.255	C	S	.	.			trans	-90.2	136	-177.5	-82.3	66.9	0	0	0	110.6	D1093 L1097 L1341 L1342	L1089-D1093 HydrophobicContact CB-CB 4.06Å; L1089-D1093 HydrophobicContact CG-CB 4.04Å; L1089-L1097 HydrophobicContact CD2-CD1 3.39Å; L1089-L1097 HydrophobicContact CD2-CG 4.46Å; L1089-L1341 HydrophobicContact CD2-CB 3.78Å; L1089-L1342 HydrophobicContact CB-CD1 4.28Å
1090	T	87.2	Confident	91.6	Very high	77 Å²	77	50.7 Å²	50.7	47%	0.472	26%	0.261	S	S	.	.			trans	-86.7	173	171.5	69.2	0	0	0	0	111.7	D1092 D1093 M1094	T1090-D1092 PolarHBondContact O-N 2.95Å; T1090-D1092 PolarHBondContact OG1-N 2.94Å; T1090-D1093 WeakPolarHBondContact CB-OD2 3.22Å; T1090-D1093 WeakPolarHBondContact CG2-OD2 3.23Å; T1090-D1093 PolarHBondContact N-OD2 3.25Å; T1090-D1093 PolarHBondContact O-N 3.43Å; T1090-D1093 VanDerWaalsContact OG1-CG 3.27Å; T1090-D1093 PolarHBondContact OG1-N 3.27Å; T1090-D1093 PolarHBondContact OG1-OD2 2.77Å; T1090-M1094 PolarHBondContact O-N 2.81Å; T1090-M1094 VanDerWaalsContact O-N 3.15Å
1091	R	90	Very high	91.6	Very high	98 Å²	98	52.2 Å²	52.2	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-57.1	-37.6	169.8	-71.2	171.6	171.5	90.5	1	111.9	M1094 M1095 Y1289 E1293 L1296	R1091-M1094 WeakPolarHBondContact O-CB 3.31Å; R1091-M1094 PolarHBondContact O-N 3.25Å; R1091-M1095 PolarHBondContact O-N 3.47Å; R1091-Y1289 WeakPolarHBondContact O-CE2 3.15Å; R1091-E1293 WeakPolarHBondContact CD-OE1 3.1Å; R1091-E1293 VanDerWaalsContact CG-OE1 3.26Å; R1091-E1293 WeakPolarHBondContact CG-OE1 3.32Å; R1091-E1293 IonicContact NE-OE1 2.78Å; R1091-E1293 PolarHBondContact NE-OE1 3.32Å; R1091-E1293 IonicContact NE-OE2 3.76Å; R1091-E1293 PolarHBondContact NE-OE2 2.77Å; R1091-L1296 HydrophobicContact CG-CD1 3.82Å
1092	D	91.1	Very high	91.7	Very high	54 Å²	54	48 Å²	48	29%	0.289	25%	0.254	S	S	.	.	H	α-helix	trans	-73.1	-34.8	179.9	-166.8	66.6	0	0	0	112.4	R1071 K1075 T1090 M1094 M1095 A1096	R1071-D1092 IonicContact CZ-OD1 3.55Å; R1071-D1092 IonicContact NE-OD1 3.56Å; R1071-D1092 IonicContact NH2-OD1 3.8Å; R1071-D1092 PolarHBondContact NH2-OD1 2.84Å; K1075-D1092 IonicContact NZ-OD1 2.73Å; K1075-D1092 PolarHBondContact NZ-OD1 2.59Å; K1075-D1092 IonicContact NZ-OD2 3.71Å; K1075-D1092 PolarHBondContact NZ-OD2 3.44Å; T1090-D1092 PolarHBondContact O-N 2.95Å; T1090-D1092 PolarHBondContact OG1-N 2.94Å; D1092-M1094 VanDerWaalsContact C-N 3.31Å; D1092-M1094 PolarHBondContact O-N 2.71Å; D1092-M1095 WeakPolarHBondContact O-CB 3.35Å; D1092-M1095 PolarHBondContact O-N 2.88Å; D1092-M1095 VanDerWaalsContact O-N 3.15Å; D1092-A1096 PolarHBondContact O-N 3.46Å; D1092-A1096 VanDerWaalsContact O-N 3.16Å
1093	D	94.9	Very high	91.8	Very high	24 Å²	24	41.9 Å²	41.9	13%	0.128	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-38.5	171.6	-62.9	-53.3	0	0	0	111.5	A1083 L1089 T1090 M1095 A1096 L1097	A1083-D1093 HydrophobicContact CB-CB 3.79Å; L1089-D1093 HydrophobicContact CB-CB 4.06Å; L1089-D1093 HydrophobicContact CG-CB 4.04Å; T1090-D1093 WeakPolarHBondContact CB-OD2 3.22Å; T1090-D1093 WeakPolarHBondContact CG2-OD2 3.23Å; T1090-D1093 PolarHBondContact N-OD2 3.25Å; T1090-D1093 PolarHBondContact O-N 3.43Å; T1090-D1093 VanDerWaalsContact OG1-CG 3.27Å; T1090-D1093 PolarHBondContact OG1-N 3.27Å; T1090-D1093 PolarHBondContact OG1-OD2 2.77Å; D1093-M1095 VanDerWaalsContact C-N 3.28Å; D1093-M1095 PolarHBondContact O-N 3.46Å; D1093-A1096 WeakPolarHBondContact O-CB 3.13Å; D1093-A1096 PolarHBondContact O-N 3.05Å; D1093-A1096 VanDerWaalsContact O-N 3.08Å; D1093-L1097 WeakPolarHBondContact O-CG 3.26Å; D1093-L1097 PolarHBondContact O-N 3.18Å
1094	M	96.3	Very high	91.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-37.8	174.3	-175.4	57.6	171.4	0	0	111.9	T1090 R1091 D1092 A1096 L1097 L1098 Y1289 A1292 A1338 F1339 L1342	T1090-M1094 PolarHBondContact O-N 2.81Å; T1090-M1094 VanDerWaalsContact O-N 3.15Å; R1091-M1094 WeakPolarHBondContact O-CB 3.31Å; R1091-M1094 PolarHBondContact O-N 3.25Å; D1092-M1094 VanDerWaalsContact C-N 3.31Å; D1092-M1094 PolarHBondContact O-N 2.71Å; M1094-A1096 VanDerWaalsContact C-N 3.34Å; M1094-L1097 PolarHBondContact O-N 2.84Å; M1094-L1098 HydrophobicContact CE-CD1 3.89Å; M1094-L1098 HydrophobicContact CE-CD2 4.19Å; M1094-L1098 HydrophobicContact CE-CG 4.03Å; M1094-L1098 HydrophobicContact CG-CD1 4.32Å; M1094-L1098 WeakPolarHBondContact O-CG 3.36Å; M1094-L1098 PolarHBondContact O-N 3.16Å; M1094-L1098 HydrophobicContact SD-CD1 4.47Å; M1094-L1098 HydrophobicContact SD-CG 4.3Å; M1094-Y1289 HydrophobicContact CG-CD2 4.26Å; M1094-A1292 HydrophobicContact CE-CB 3.98Å; M1094-A1292 HydrophobicContact CG-CB 4.16Å; M1094-A1338 HydrophobicContact CE-CB 4.17Å; M1094-A1338 HydrophobicContact SD-CB 3.99Å; M1094-F1339 HydrophobicContact CE-CD1 4.47Å; M1094-F1339 HydrophobicContact CE-CD2 3.6Å; M1094-F1339 HydrophobicContact CE-CE1 4.45Å; M1094-F1339 HydrophobicContact CE-CE2 3.59Å; M1094-F1339 HydrophobicContact CE-CG 4.08Å; M1094-F1339 HydrophobicContact CE-CZ 4.04Å; M1094-L1342 HydrophobicContact CB-CD1 4.3Å; M1094-L1342 HydrophobicContact CB-CD2 4.37Å; M1094-L1342 HydrophobicContact CE-CD2 4.19Å; M1094-L1342 HydrophobicContact CG-CD2 3.96Å; M1094-L1342 HydrophobicContact SD-CB 4.13Å; M1094-L1342 HydrophobicContact SD-CD2 3.96Å
1095	M	97.6	Very high	91.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-41.5	173.2	-63.1	-172.6	-179.6	0	0	111.6	I1068 R1071 I1072 R1091 D1092 D1093 L1098 S1099 Y1289	I1068-M1095 HydrophobicContact CG1-CE 4.14Å; I1068-M1095 HydrophobicContact CG2-CE 4.29Å; R1071-M1095 HydrophobicContact CB-SD 3.65Å; I1072-M1095 HydrophobicContact CG1-CB 3.74Å; I1072-M1095 HydrophobicContact CG1-CG 3.81Å; I1072-M1095 HydrophobicContact CG1-SD 4.34Å; R1091-M1095 PolarHBondContact O-N 3.47Å; D1092-M1095 WeakPolarHBondContact O-CB 3.35Å; D1092-M1095 PolarHBondContact O-N 2.88Å; D1092-M1095 VanDerWaalsContact O-N 3.15Å; D1093-M1095 VanDerWaalsContact C-N 3.28Å; D1093-M1095 PolarHBondContact O-N 3.46Å; M1095-L1098 PolarHBondContact O-N 2.78Å; M1095-S1099 PolarHBondContact O-N 3.23Å; M1095-Y1289 HydrophobicContact CE-CD1 4.48Å; M1095-Y1289 HydrophobicContact CE-CD2 4.45Å; M1095-Y1289 HydrophobicContact CE-CE1 3.73Å; M1095-Y1289 HydrophobicContact CE-CE2 3.69Å; M1095-Y1289 VanDerWaalsContact CE-OH 3.3Å; M1095-Y1289 WeakPolarHBondContact CE-OH 3.39Å; M1095-Y1289 HydrophobicContact CG-CD2 3.76Å; M1095-Y1289 HydrophobicContact CG-CE2 3.43Å; M1095-Y1289 VanDerWaalsContact CG-CE2 3.43Å; M1095-Y1289 HydrophobicContact SD-CE2 4.43Å
1096	A	97	Very high	92.2	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-45.3	175.8	0	0	0	0	0	111.8	K1075 D1079 V1080 A1083 D1092 D1093 M1094 L1098 S1099 A1102	K1075-A1096 HydrophobicContact CB-CB 4.44Å; K1075-A1096 HydrophobicContact CD-CB 4.09Å; K1075-A1096 HydrophobicContact CG-CB 4.18Å; D1079-A1096 HydrophobicContact CB-CB 4.15Å; V1080-A1096 HydrophobicContact CG2-CB 4.49Å; A1083-A1096 HydrophobicContact CB-CB 4.21Å; D1092-A1096 PolarHBondContact O-N 3.46Å; D1092-A1096 VanDerWaalsContact O-N 3.16Å; D1093-A1096 WeakPolarHBondContact O-CB 3.13Å; D1093-A1096 PolarHBondContact O-N 3.05Å; D1093-A1096 VanDerWaalsContact O-N 3.08Å; M1094-A1096 VanDerWaalsContact C-N 3.34Å; A1096-L1098 PolarHBondContact O-N 3.02Å; A1096-S1099 VanDerWaalsContact O-CB 3.26Å; A1096-S1099 WeakPolarHBondContact O-CB 3.14Å; A1096-S1099 PolarHBondContact O-N 2.66Å; A1096-S1099 PolarHBondContact O-OG 2.83Å; A1096-A1102 WeakPolarHBondContact O-CB 3.43Å
1097	L	97.4	Very high	92.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-72.1	-24.2	-179.1	-59.3	-171.4	0	0	0	114.2	V1080 A1083 L1084 L1089 D1093 M1094 A1102 L1109 Q1334 A1338 L1341	V1080-L1097 HydrophobicContact CG1-CD2 4.39Å; A1083-L1097 HydrophobicContact CB-CD2 3.73Å; A1083-L1097 HydrophobicContact CB-CG 4.09Å; L1084-L1097 HydrophobicContact CD2-CD2 4.46Å; L1084-L1097 HydrophobicContact CG-CD2 4.34Å; L1089-L1097 HydrophobicContact CD2-CD1 3.39Å; L1089-L1097 HydrophobicContact CD2-CG 4.46Å; D1093-L1097 WeakPolarHBondContact O-CG 3.26Å; D1093-L1097 PolarHBondContact O-N 3.18Å; M1094-L1097 PolarHBondContact O-N 2.84Å; L1097-A1102 WeakPolarHBondContact O-CB 3.46Å; L1097-L1109 HydrophobicContact CB-CD2 4.41Å; L1097-L1109 HydrophobicContact CD1-CD2 4.19Å; L1097-L1109 HydrophobicContact CD2-CD2 4Å; L1097-L1109 HydrophobicContact CG-CD2 4.43Å; L1097-Q1334 PolarHBondContact O-NE2 2.98Å; L1097-A1338 HydrophobicContact CB-CB 3.85Å; L1097-L1341 HydrophobicContact CD1-CB 4.11Å; L1097-L1341 HydrophobicContact CD1-CD2 3.74Å
1098	L	96.9	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-85.3	-14.5	171.9	-69.3	178.7	0	0	0	113.4	M1094 M1095 A1096 W1284 R1285 C1288 Q1334 T1335 A1338	M1094-L1098 HydrophobicContact CE-CD1 3.89Å; M1094-L1098 HydrophobicContact CE-CD2 4.19Å; M1094-L1098 HydrophobicContact CE-CG 4.03Å; M1094-L1098 HydrophobicContact CG-CD1 4.32Å; M1094-L1098 WeakPolarHBondContact O-CG 3.36Å; M1094-L1098 PolarHBondContact O-N 3.16Å; M1094-L1098 HydrophobicContact SD-CD1 4.47Å; M1094-L1098 HydrophobicContact SD-CG 4.3Å; M1095-L1098 PolarHBondContact O-N 2.78Å; A1096-L1098 PolarHBondContact O-N 3.02Å; L1098-W1284 HydrophobicContact CD2-CZ3 4.45Å; L1098-R1285 WeakPolarHBondContact O-CD 3.48Å; L1098-R1285 PolarHBondContact O-NE 3.16Å; L1098-C1288 HydrophobicContact CD1-CB 4.29Å; L1098-Q1334 PolarHBondContact O-NE2 3.05Å; L1098-T1335 HydrophobicContact CD2-CG2 4.2Å; L1098-A1338 HydrophobicContact CD2-CB 4.1Å
1099	S	96.9	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-61.4	159.5	-175.6	75.2	0	0	0	0	113.5	I1072 M1095 A1096 A1101 A1102 Q1334	I1072-S1099 WeakPolarHBondContact O-CB 3.43Å; M1095-S1099 PolarHBondContact O-N 3.23Å; A1096-S1099 VanDerWaalsContact O-CB 3.26Å; A1096-S1099 WeakPolarHBondContact O-CB 3.14Å; A1096-S1099 PolarHBondContact O-N 2.66Å; A1096-S1099 PolarHBondContact O-OG 2.83Å; S1099-A1101 PolarHBondContact O-N 3.13Å; S1099-A1101 PolarHBondContact OG-N 3.2Å; S1099-A1102 PolarHBondContact O-N 2.98Å; S1099-A1102 PolarHBondContact OG-N 3.28Å; S1099-Q1334 PolarHBondContact O-NE2 3.14Å
1100	P	95.4	Very high	94.9	Very high	49 Å²	49	35.7 Å²	35.7	32%	0.318	21%	0.205	S	C	.	.	S	Bend	trans	-58	-31.9	166.8	-24.2	35	0	0	0	113.5	A1102 S1103	P1100-A1102 VanDerWaalsContact C-N 3.27Å; P1100-A1102 PolarHBondContact O-N 3.47Å; P1100-S1103 VanDerWaalsContact O-CB 3.24Å; P1100-S1103 WeakPolarHBondContact O-CB 3.3Å; P1100-S1103 PolarHBondContact O-N 3.41Å; P1100-S1103 VanDerWaalsContact O-N 3.11Å; P1100-S1103 PolarHBondContact O-OG 2.97Å
1101	A	95.2	Very high	95.4	Very high	32 Å²	32	36 Å²	36	26%	0.264	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-62.6	-33.4	179.3	0	0	0	0	0	112.4	K1075 V1080 S1099 S1103 G1104	K1075-A1101 WeakPolarHBondContact O-CB 3.28Å; V1080-A1101 HydrophobicContact CG2-CB 4.15Å; S1099-A1101 PolarHBondContact O-N 3.13Å; S1099-A1101 PolarHBondContact OG-N 3.2Å; A1101-S1103 PolarHBondContact O-N 2.93Å; A1101-G1104 PolarHBondContact O-N 3.33Å
1102	A	96.7	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.6	-14.1	176.6	0	0	0	0	0	114.2	V1080 A1096 L1097 S1099 P1100 G1104 Y1105 L1109	V1080-A1102 HydrophobicContact CG1-CB 4.12Å; V1080-A1102 HydrophobicContact CG2-CB 3.93Å; A1096-A1102 WeakPolarHBondContact O-CB 3.43Å; L1097-A1102 WeakPolarHBondContact O-CB 3.46Å; S1099-A1102 PolarHBondContact O-N 2.98Å; S1099-A1102 PolarHBondContact OG-N 3.28Å; P1100-A1102 VanDerWaalsContact C-N 3.27Å; P1100-A1102 PolarHBondContact O-N 3.47Å; A1102-G1104 PolarHBondContact O-N 3.3Å; A1102-Y1105 PolarHBondContact O-N 2.94Å; A1102-L1109 HydrophobicContact CB-CD1 4.19Å
1103	S	93.8	Very high	95.8	Very high	59 Å²	59	30.5 Å²	30.5	41%	0.413	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-60.7	-27.5	177.7	66.6	0	0	0	0	113.7	P1100 A1101 Y1105	P1100-S1103 VanDerWaalsContact O-CB 3.24Å; P1100-S1103 WeakPolarHBondContact O-CB 3.3Å; P1100-S1103 PolarHBondContact O-N 3.41Å; P1100-S1103 VanDerWaalsContact O-N 3.11Å; P1100-S1103 PolarHBondContact O-OG 2.97Å; A1101-S1103 PolarHBondContact O-N 2.93Å; S1103-Y1105 VanDerWaalsContact C-N 3.31Å
1104	G	92.6	Very high	95.9	Very high	62 Å²	62	33.2 Å²	33.2	64%	0.639	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-76.4	-13.8	174	0	0	0	0	0	114.4	A1101 A1102	A1101-G1104 PolarHBondContact O-N 3.33Å; A1102-G1104 PolarHBondContact O-N 3.3Å
1105	Y	96.6	Very high	95.8	Very high	39 Å²	39	39.7 Å²	39.7	15%	0.153	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-111	16.4	-175.3	-64.6	-95.9	0	0	0	113	A1077 V1080 E1081 L1084 A1102 S1103 E1107 Q1108 L1109	A1077-Y1105 HydrophobicContact CB-CE2 4.13Å; A1077-Y1105 WeakPolarHBondContact CB-OH 3.31Å; V1080-Y1105 HydrophobicContact CB-CD2 4.22Å; V1080-Y1105 HydrophobicContact CB-CE2 4.35Å; V1080-Y1105 HydrophobicContact CG1-CD1 4.32Å; V1080-Y1105 HydrophobicContact CG1-CD2 3.65Å; V1080-Y1105 HydrophobicContact CG1-CE2 4.23Å; V1080-Y1105 HydrophobicContact CG1-CG 3.71Å; E1081-Y1105 HydrophobicContact CG-CE1 3.57Å; E1081-Y1105 WeakPolarHBondContact OE1-CE1 3.19Å; E1081-Y1105 PolarHBondContact OE1-OH 2.8Å; L1084-Y1105 HydrophobicContact CD1-CD1 3.84Å; L1084-Y1105 HydrophobicContact CD1-CG 4.17Å; A1102-Y1105 PolarHBondContact O-N 2.94Å; S1103-Y1105 VanDerWaalsContact C-N 3.31Å; Y1105-E1107 PolarHBondContact O-N 3.21Å; Y1105-Q1108 VanDerWaalsContact C-OE1 3.26Å; Y1105-Q1108 VanDerWaalsContact CA-OE1 3.24Å; Y1105-Q1108 PolarHBondContact O-N 3.42Å; Y1105-Q1108 VanDerWaalsContact O-N 3.14Å; Y1105-Q1108 PolarHBondContact O-OE1 3.29Å; Y1105-L1109 WeakPolarHBondContact O-CB 3.4Å; Y1105-L1109 PolarHBondContact O-N 3.41Å
1106	L	95	Very high	95.6	Very high	33 Å²	33	40.9 Å²	40.9	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-34.3	-172.2	-169.4	61.8	0	0	0	113	L1109 A1110 R1330 V1333 Q1334	L1106-L1109 WeakPolarHBondContact O-CB 3.33Å; L1106-A1110 VanDerWaalsContact O-CB 3.23Å; L1106-A1110 WeakPolarHBondContact O-CB 3.5Å; L1106-A1110 PolarHBondContact O-N 3.31Å; L1106-R1330 HydrophobicContact CD2-CB 4.29Å; L1106-V1333 HydrophobicContact CD1-CG1 4.09Å; L1106-Q1334 HydrophobicContact CD1-CB 3.76Å; L1106-Q1334 HydrophobicContact CD1-CG 4.43Å
1107	E	95.6	Very high	95.5	Very high	119 Å²	119	40.8 Å²	40.8	56%	0.556	22%	0.218	S	C	*	.	H	α-helix	trans	-68.3	-45.8	177.3	-176.9	58.9	-149.2	0	0	111.4	Y1105 L1109 A1110 Q1111	Y1105-E1107 PolarHBondContact O-N 3.21Å; E1107-L1109 PolarHBondContact O-N 2.85Å; E1107-A1110 PolarHBondContact O-N 3.07Å; E1107-Q1111 VanDerWaalsContact O-CG 3.3Å; E1107-Q1111 WeakPolarHBondContact O-CG 3.36Å; E1107-Q1111 PolarHBondContact O-N 2.92Å; E1107-Q1111 PolarHBondContact OE1-NE2 3.04Å
1108	Q	96	Very high	95.3	Very high	87 Å²	87	43.5 Å²	43.5	41%	0.407	23%	0.229	S	C	.	.	H	α-helix	trans	-64	-42.5	176.9	-62.3	89.9	-29.9	0	0	111.3	L1084 Y1105 R1112	L1084-Q1108 HydrophobicContact CD1-CB 4.07Å; Y1105-Q1108 VanDerWaalsContact C-OE1 3.26Å; Y1105-Q1108 VanDerWaalsContact CA-OE1 3.24Å; Y1105-Q1108 PolarHBondContact O-N 3.42Å; Y1105-Q1108 VanDerWaalsContact O-N 3.14Å; Y1105-Q1108 PolarHBondContact O-OE1 3.29Å; Q1108-R1112 WeakPolarHBondContact O-CB 3.32Å; Q1108-R1112 PolarHBondContact O-N 2.94Å
1109	L	95.2	Very high	95	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-50.9	171.4	-86.1	157.2	0	0	0	111.2	L1084 L1097 A1102 Y1105 L1106 E1107 R1112 A1113 Q1334 C1337 L1341	L1084-L1109 HydrophobicContact CD2-CD2 4.26Å; L1084-L1109 HydrophobicContact CD2-CG 4.16Å; L1097-L1109 HydrophobicContact CB-CD2 4.41Å; L1097-L1109 HydrophobicContact CD1-CD2 4.19Å; L1097-L1109 HydrophobicContact CD2-CD2 4Å; L1097-L1109 HydrophobicContact CG-CD2 4.43Å; A1102-L1109 HydrophobicContact CB-CD1 4.19Å; Y1105-L1109 WeakPolarHBondContact O-CB 3.4Å; Y1105-L1109 PolarHBondContact O-N 3.41Å; L1106-L1109 WeakPolarHBondContact O-CB 3.33Å; E1107-L1109 PolarHBondContact O-N 2.85Å; L1109-R1112 PolarHBondContact O-N 2.95Å; L1109-A1113 VanDerWaalsContact O-CB 3.28Å; L1109-A1113 WeakPolarHBondContact O-CB 3Å; L1109-A1113 PolarHBondContact O-N 3.15Å; L1109-Q1334 HydrophobicContact CD1-CG 4.41Å; L1109-C1337 HydrophobicContact CB-CB 4.24Å; L1109-L1341 HydrophobicContact CD2-CD2 4.02Å
1110	A	96	Very high	94.7	Very high	12 Å²	12	55.7 Å²	55.7	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-43.5	-178.6	0	0	0	0	0	112.3	L1106 E1107 A1113 Q1114	L1106-A1110 VanDerWaalsContact O-CB 3.23Å; L1106-A1110 WeakPolarHBondContact O-CB 3.5Å; L1106-A1110 PolarHBondContact O-N 3.31Å; E1107-A1110 PolarHBondContact O-N 3.07Å; A1110-A1113 PolarHBondContact O-N 3.38Å; A1110-Q1114 WeakPolarHBondContact O-CB 3.24Å; A1110-Q1114 PolarHBondContact O-N 2.9Å
1111	Q	96.4	Very high	94.5	Very high	82 Å²	82	55.5 Å²	55.5	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-43.4	176.8	-71.7	176	14.1	0	0	112	E1107 Q1114 R1115	E1107-Q1111 VanDerWaalsContact O-CG 3.3Å; E1107-Q1111 WeakPolarHBondContact O-CG 3.36Å; E1107-Q1111 PolarHBondContact O-N 2.92Å; E1107-Q1111 PolarHBondContact OE1-NE2 3.04Å; Q1111-Q1114 PolarHBondContact O-N 3.34Å; Q1111-R1115 WeakPolarHBondContact O-CG 3.5Å; Q1111-R1115 PolarHBondContact O-N 3.31Å
1112	R	95.1	Very high	94.2	Very high	37 Å²	37	55.6 Å²	55.6	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-42.6	176.8	-172.7	169.6	176.9	-166.7	-5.7	111.1	A1083 L1084 A1086 Q1108 L1109 Q1114 R1115 L1116 L1341	A1083-R1112 PolarHBondContact O-NH1 3.33Å; A1083-R1112 VanDerWaalsContact O-NH1 3.14Å; L1084-R1112 PolarHBondContact O-NH1 3.12Å; A1086-R1112 PolarHBondContact O-NH1 3.39Å; A1086-R1112 PolarHBondContact O-NH2 3.33Å; Q1108-R1112 WeakPolarHBondContact O-CB 3.32Å; Q1108-R1112 PolarHBondContact O-N 2.94Å; L1109-R1112 PolarHBondContact O-N 2.95Å; R1112-Q1114 PolarHBondContact O-N 3.06Å; R1112-R1115 PolarHBondContact O-N 3.09Å; R1112-L1116 HydrophobicContact CG-CD1 4.13Å; R1112-L1116 WeakPolarHBondContact O-CG 3.45Å; R1112-L1116 PolarHBondContact O-N 3.44Å; R1112-L1341 HydrophobicContact CB-CD1 4.17Å; R1112-L1341 HydrophobicContact CB-CD2 4.43Å; R1112-L1341 HydrophobicContact CG-CD1 4.07Å; R1112-L1341 HydrophobicContact CG-CD2 4.17Å; R1112-L1341 HydrophobicContact CG-CG 4.04Å
1113	A	96	Very high	94	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-41.6	176.6	0	0	0	0	0	111.9	L1109 A1110 L1116 T1117 C1337 R1340 L1341 L1365 A1366	L1109-A1113 VanDerWaalsContact O-CB 3.28Å; L1109-A1113 WeakPolarHBondContact O-CB 3Å; L1109-A1113 PolarHBondContact O-N 3.15Å; A1110-A1113 PolarHBondContact O-N 3.38Å; A1113-L1116 PolarHBondContact O-N 3.13Å; A1113-T1117 WeakPolarHBondContact O-CB 3.49Å; A1113-T1117 PolarHBondContact O-N 2.85Å; A1113-T1117 PolarHBondContact O-OG1 3.49Å; A1113-C1337 HydrophobicContact CB-CB 3.86Å; A1113-R1340 HydrophobicContact CB-CB 4.14Å; A1113-R1340 HydrophobicContact CB-CG 4.02Å; A1113-R1340 WeakPolarHBondContact O-CG 3.27Å; A1113-L1341 HydrophobicContact CB-CD1 3.76Å; A1113-L1365 CarbonylContact C-O 3.57Å; A1113-A1366 HydrophobicContact CB-CB 4.47Å
1114	Q	96.1	Very high	93.9	Very high	82 Å²	82	59.2 Å²	59.2	38%	0.383	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-49.5	175.2	-172.3	-178.4	43.7	0	0	111.4	A1110 Q1111 R1112 L1116 T1117 R1118 L1365	A1110-Q1114 WeakPolarHBondContact O-CB 3.24Å; A1110-Q1114 PolarHBondContact O-N 2.9Å; Q1111-Q1114 PolarHBondContact O-N 3.34Å; R1112-Q1114 PolarHBondContact O-N 3.06Å; Q1114-L1116 PolarHBondContact O-N 3.02Å; Q1114-T1117 PolarHBondContact O-N 2.97Å; Q1114-R1118 HydrophobicContact CG-CG 4.44Å; Q1114-R1118 WeakPolarHBondContact O-CG 3.29Å; Q1114-R1118 PolarHBondContact O-N 2.99Å; Q1114-L1365 WeakPolarHBondContact CA-O 3.45Å; Q1114-L1365 PolarHBondContact N-O 2.89Å
1115	R	94.4	Very high	93.9	Very high	136 Å²	136	56.2 Å²	56.2	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-55.8	-49.8	176.7	-74.2	-168.8	-60.5	-103.9	4.3	111.6	Q1111 R1112 T1117 R1118 Q1119	Q1111-R1115 WeakPolarHBondContact O-CG 3.5Å; Q1111-R1115 PolarHBondContact O-N 3.31Å; R1112-R1115 PolarHBondContact O-N 3.09Å; R1115-T1117 PolarHBondContact O-N 3.32Å; R1115-R1118 PolarHBondContact O-N 3.33Å; R1115-Q1119 WeakPolarHBondContact O-CB 3.47Å; R1115-Q1119 WeakPolarHBondContact O-CG 3.45Å; R1115-Q1119 PolarHBondContact O-N 2.71Å
1116	L	93.7	Very high	93.6	Very high	28 Å²	28	56.1 Å²	56.1	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-42.1	179.1	-70.8	171.3	0	0	0	112	R1112 A1113 Q1114 R1118 Q1119 R1120 R1340 L1341 P1344	R1112-L1116 HydrophobicContact CG-CD1 4.13Å; R1112-L1116 WeakPolarHBondContact O-CG 3.45Å; R1112-L1116 PolarHBondContact O-N 3.44Å; A1113-L1116 PolarHBondContact O-N 3.13Å; Q1114-L1116 PolarHBondContact O-N 3.02Å; L1116-R1118 PolarHBondContact O-N 2.7Å; L1116-Q1119 PolarHBondContact O-N 3.27Å; L1116-R1120 WeakPolarHBondContact O-CG 3.25Å; L1116-R1120 PolarHBondContact O-N 3.08Å; L1116-R1340 HydrophobicContact CB-CG 4.17Å; L1116-L1341 HydrophobicContact CD1-CD1 4.05Å; L1116-L1341 HydrophobicContact CD1-CG 4.04Å; L1116-P1344 HydrophobicContact CD1-CG 4.37Å; L1116-P1344 HydrophobicContact CD2-CB 4.43Å; L1116-P1344 HydrophobicContact CD2-CG 4.39Å
1117	T	94.5	Very high	93.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-43.6	178	-54.6	0	0	0	0	111.5	A1113 Q1114 R1115 R1120 F1121 R1340 L1365 A1366	A1113-T1117 WeakPolarHBondContact O-CB 3.49Å; A1113-T1117 PolarHBondContact O-N 2.85Å; A1113-T1117 PolarHBondContact O-OG1 3.49Å; Q1114-T1117 PolarHBondContact O-N 2.97Å; R1115-T1117 PolarHBondContact O-N 3.32Å; T1117-R1120 PolarHBondContact O-N 2.88Å; T1117-F1121 HydrophobicContact CG2-CD2 4.32Å; T1117-F1121 PolarHBondContact O-N 3.46Å; T1117-R1340 VanDerWaalsContact OG1-CD 3.32Å; T1117-R1340 WeakPolarHBondContact OG1-CD 3.36Å; T1117-R1340 WeakPolarHBondContact OG1-CG 3.39Å; T1117-R1340 PolarHBondContact OG1-NE 3.48Å; T1117-L1365 PolarHBondContact OG1-O 3.5Å; T1117-A1366 WeakPolarHBondContact OG1-CA 3.48Å
1118	R	93.8	Very high	93.4	Very high	56 Å²	56	49.6 Å²	49.6	21%	0.211	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-39.1	175.9	-64.5	-53.8	83.1	169.6	-0.8	112.2	Q1114 R1115 L1116 R1120 G1122 N1123	Q1114-R1118 HydrophobicContact CG-CG 4.44Å; Q1114-R1118 WeakPolarHBondContact O-CG 3.29Å; Q1114-R1118 PolarHBondContact O-N 2.99Å; R1115-R1118 PolarHBondContact O-N 3.33Å; L1116-R1118 PolarHBondContact O-N 2.7Å; R1118-R1120 VanDerWaalsContact C-N 3.29Å; R1118-R1120 PolarHBondContact O-N 2.86Å; R1118-G1122 PolarHBondContact NE-O 2.67Å; R1118-G1122 PolarHBondContact NH1-O 2.68Å; R1118-G1122 VanDerWaalsContact NH1-O 3.07Å; R1118-G1122 PolarHBondContact NH2-O 2.72Å; R1118-G1122 WeakPolarHBondContact O-CA 3.32Å; R1118-G1122 PolarHBondContact O-N 3.38Å; R1118-G1122 VanDerWaalsContact O-N 3.08Å; R1118-N1123 WeakPolarHBondContact CD-OD1 3.5Å; R1118-N1123 PolarHBondContact NH1-OD1 2.92Å
1119	Q	90.6	Very high	93.3	Very high	131 Å²	131	45.4 Å²	45.4	61%	0.612	22%	0.218	S	C	*	.	H	α-helix	trans	-62.2	-34.6	176	-77.6	172.8	-6.1	0	0	112.6	R1115 L1116	R1115-Q1119 WeakPolarHBondContact O-CB 3.47Å; R1115-Q1119 WeakPolarHBondContact O-CG 3.45Å; R1115-Q1119 PolarHBondContact O-N 2.71Å; L1116-Q1119 PolarHBondContact O-N 3.27Å
1120	R	90.5	Very high	93.2	Very high	125 Å²	125	45.9 Å²	45.9	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-94.9	-39.3	-176.3	-66	-55.7	-168.8	-133.7	8.8	115	L1116 T1117 R1118 P1344 E1345	L1116-R1120 WeakPolarHBondContact O-CG 3.25Å; L1116-R1120 PolarHBondContact O-N 3.08Å; T1117-R1120 PolarHBondContact O-N 2.88Å; R1118-R1120 VanDerWaalsContact C-N 3.29Å; R1118-R1120 PolarHBondContact O-N 2.86Å; R1120-P1344 HydrophobicContact CG-CB 4.21Å; R1120-E1345 WeakPolarHBondContact CD-OE2 3.29Å; R1120-E1345 IonicContact CZ-OE1 3.66Å; R1120-E1345 VanDerWaalsContact NE-CD 3.28Å; R1120-E1345 IonicContact NE-OE1 3.95Å; R1120-E1345 PolarHBondContact NE-OE1 2.92Å; R1120-E1345 IonicContact NE-OE2 2.82Å; R1120-E1345 PolarHBondContact NE-OE2 3.26Å; R1120-E1345 IonicContact NH2-OE1 2.8Å; R1120-E1345 PolarHBondContact NH2-OE1 3.5Å
1121	F	90.4	Very high	93.1	Very high	45 Å²	45	45.3 Å²	45.3	20%	0.197	22%	0.216	C	C	.	.	H	α-helix	trans	-116.9	1.8	-172.1	-57.4	-82.4	0	0	0	114	T1117 N1123 T1124 R1340 P1344 E1345 I1346 N1368	T1117-F1121 HydrophobicContact CG2-CD2 4.32Å; T1117-F1121 PolarHBondContact O-N 3.46Å; F1121-N1123 PolarHBondContact O-N 2.78Å; F1121-T1124 PolarHBondContact O-N 2.81Å; F1121-T1124 PolarHBondContact O-OG1 2.95Å; F1121-R1340 VanDerWaalsContact CE2-NH1 3.3Å; F1121-P1344 WeakPolarHBondContact CE2-O 3.35Å; F1121-E1345 WeakPolarHBondContact CZ-O 3.2Å; F1121-I1346 VanDerWaalsContact CZ-O 3.32Å; F1121-I1346 WeakPolarHBondContact CZ-O 3.28Å; F1121-N1368 HydrophobicContact CB-CB 4.33Å; F1121-N1368 HydrophobicContact CD1-CB 4.4Å; F1121-N1368 VanDerWaalsContact CD1-ND2 3.26Å; F1121-N1368 WeakPolarHBondContact CD1-ND2 3.47Å; F1121-N1368 HydrophobicContact CD2-CB 4.42Å; F1121-N1368 WeakPolarHBondContact CE1-ND2 3.28Å; F1121-N1368 HydrophobicContact CG-CB 4.11Å
1122	G	89.5	Confident	92.9	Very high	34 Å²	34	41.7 Å²	41.7	35%	0.351	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-138.3	-174	0	0	0	0	0	110.9	R1118	R1118-G1122 PolarHBondContact NE-O 2.67Å; R1118-G1122 PolarHBondContact NH1-O 2.68Å; R1118-G1122 VanDerWaalsContact NH1-O 3.07Å; R1118-G1122 PolarHBondContact NH2-O 2.72Å; R1118-G1122 WeakPolarHBondContact O-CA 3.32Å; R1118-G1122 PolarHBondContact O-N 3.38Å; R1118-G1122 VanDerWaalsContact O-N 3.08Å
1123	N	92	Very high	92.7	Very high	84 Å²	84	40 Å²	40	45%	0.449	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.3	177.3	-72	-28.2	0	0	0	115.2	R1118 F1121 L1411 Q1412	R1118-N1123 WeakPolarHBondContact CD-OD1 3.5Å; R1118-N1123 PolarHBondContact NH1-OD1 2.92Å; F1121-N1123 PolarHBondContact O-N 2.78Å; N1123-L1411 WeakPolarHBondContact O-CA 3.43Å; N1123-Q1412 PolarHBondContact O-N 2.9Å
1124	T	91.6	Very high	92.4	Very high	51 Å²	51	40 Å²	40	31%	0.313	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.1	-172	64.7	0	0	0	0	112.7	F1121 Q1412 V1414	F1121-T1124 PolarHBondContact O-N 2.81Å; F1121-T1124 PolarHBondContact O-OG1 2.95Å; T1124-Q1412 WeakPolarHBondContact CA-O 3.44Å; T1124-V1414 HydrophobicContact CG2-CG2 3.95Å
1125	V	92.5	Very high	92.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.7	172	-178.1	0	0	0	0	108.3	I1363 V1370 L1406 L1411 Q1412 V1414	V1125-I1363 HydrophobicContact CG1-CG2 4.08Å; V1125-I1363 HydrophobicContact CG2-CG2 3.84Å; V1125-V1370 HydrophobicContact CG1-CG1 4.22Å; V1125-V1370 HydrophobicContact CG1-CG2 3.85Å; V1125-L1406 HydrophobicContact CB-CD1 4.02Å; V1125-L1406 HydrophobicContact CG1-CD1 3.92Å; V1125-L1406 HydrophobicContact CG2-CD1 4.44Å; V1125-L1411 HydrophobicContact CG2-CB 4.26Å; V1125-L1411 HydrophobicContact CG2-CD1 4.06Å; V1125-Q1412 PolarHBondContact N-O 2.78Å; V1125-V1414 PolarHBondContact O-N 3.01Å
1126	S	91.7	Very high	91.9	Very high	37 Å²	37	31.4 Å²	31.4	26%	0.259	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138.1	-177.2	-65.6	0	0	0	0	111.9	N1368 N1369 V1370	S1126-N1368 PolarHBondContact N-O 2.82Å; S1126-N1369 WeakPolarHBondContact CB-OD1 3.36Å; S1126-N1369 CarbonylContact O-C 3.48Å; S1126-N1369 WeakPolarHBondContact O-CA 3.14Å; S1126-N1369 PolarHBondContact O-OD1 3.13Å; S1126-N1369 VanDerWaalsContact O-OD1 3.13Å; S1126-V1370 PolarHBondContact O-N 3.47Å
1127	F	92.9	Very high	91.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.9	175.2	-82.2	19.6	0	0	0	110.6	F1174 H1176 V1370 A1372 V1402 A1403 L1406 P1413 V1414 W1415	F1127-F1174 HydrophobicContact CB-CD1 4.36Å; F1127-F1174 HydrophobicContact CB-CE1 3.99Å; F1127-F1174 HydrophobicContact CD2-CE1 4.4Å; F1127-H1176 PolarHBondContact O-ND1 3.31Å; F1127-V1370 WeakPolarHBondContact CA-O 3.44Å; F1127-V1370 HydrophobicContact CD1-CG2 3.59Å; F1127-V1370 HydrophobicContact CE1-CG2 3.53Å; F1127-A1372 HydrophobicContact CE2-CB 4.5Å; F1127-V1402 HydrophobicContact CE1-CG1 4.43Å; F1127-V1402 HydrophobicContact CZ-CB 4.23Å; F1127-V1402 HydrophobicContact CZ-CG1 3.82Å; F1127-A1403 HydrophobicContact CE2-CB 4Å; F1127-A1403 HydrophobicContact CZ-CB 4.2Å; F1127-L1406 HydrophobicContact CE1-CD1 3.48Å; F1127-L1406 VanDerWaalsContact CE1-CD1 3.48Å; F1127-L1406 HydrophobicContact CZ-CD1 3.83Å; F1127-P1413 HydrophobicContact CE1-CB 4.01Å; F1127-P1413 HydrophobicContact CE2-CB 4.25Å; F1127-P1413 HydrophobicContact CZ-CB 3.83Å; F1127-V1414 PolarHBondContact N-O 3.39Å; F1127-W1415 HydrophobicContact CD2-CD2 4.23Å; F1127-W1415 HydrophobicContact CD2-CE3 4.24Å; F1127-W1415 HydrophobicContact CD2-CH2 4.19Å; F1127-W1415 HydrophobicContact CD2-CZ2 4.11Å; F1127-W1415 HydrophobicContact CD2-CZ3 4.22Å; F1127-W1415 HydrophobicContact CE2-CH2 4.39Å; F1127-W1415 HydrophobicContact CE2-CZ2 4.12Å
1128	Y	92.4	Very high	91.5	Very high	12 Å²	12	32.3 Å²	32.3	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	166.7	168	75.2	-85.5	0	0	0	110.9	F1174 H1176 L1178 N1369 V1370 S1371 A1372	Y1128-F1174 WeakPolarHBondContact O-CE1 3.4Å; Y1128-H1176 WeakPolarHBondContact CA-O 3.4Å; Y1128-L1178 HydrophobicContact CD2-CB 4.03Å; Y1128-L1178 HydrophobicContact CD2-CD2 4.3Å; Y1128-L1178 HydrophobicContact CE2-CB 4.38Å; Y1128-L1178 HydrophobicContact CE2-CD2 3.82Å; Y1128-N1369 VanDerWaalsContact CD1-ND2 3.29Å; Y1128-N1369 WeakPolarHBondContact CD1-ND2 3.42Å; Y1128-N1369 WeakPolarHBondContact CD1-OD1 3.38Å; Y1128-N1369 VanDerWaalsContact CE1-ND2 3.32Å; Y1128-N1369 WeakPolarHBondContact CE1-ND2 3.24Å; Y1128-V1370 VanDerWaalsContact CD1-C 3.43Å; Y1128-V1370 VanDerWaalsContact CD1-O 3.29Å; Y1128-V1370 WeakPolarHBondContact CD1-O 3.37Å; Y1128-V1370 PolarHBondContact N-O 2.93Å; Y1128-V1370 VanDerWaalsContact N-O 3.08Å; Y1128-S1371 VanDerWaalsContact CE1-N 3.27Å; Y1128-S1371 VanDerWaalsContact O-CA 3.25Å; Y1128-S1371 WeakPolarHBondContact O-CA 3.23Å; Y1128-A1372 PolarHBondContact O-N 3.31Å
1129	V	93.8	Very high	91.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.7	177.3	64.5	0	0	0	0	110.8	I1169 F1174 H1176 L1177 L1178 Y1381	V1129-I1169 HydrophobicContact CG1-CG2 3.55Å; V1129-F1174 HydrophobicContact CB-CD1 3.9Å; V1129-F1174 HydrophobicContact CB-CD2 3.87Å; V1129-F1174 HydrophobicContact CB-CE1 3.93Å; V1129-F1174 HydrophobicContact CB-CE2 3.88Å; V1129-F1174 HydrophobicContact CB-CG 3.86Å; V1129-F1174 HydrophobicContact CB-CZ 3.91Å; V1129-F1174 HydrophobicContact CG1-CB 3.67Å; V1129-F1174 HydrophobicContact CG1-CD1 3.94Å; V1129-F1174 HydrophobicContact CG1-CD2 3.75Å; V1129-F1174 HydrophobicContact CG1-CE1 4.46Å; V1129-F1174 HydrophobicContact CG1-CE2 4.29Å; V1129-F1174 HydrophobicContact CG1-CG 3.54Å; V1129-F1174 HydrophobicContact CG2-CD2 4.31Å; V1129-F1174 HydrophobicContact CG2-CE2 4.1Å; V1129-F1174 HydrophobicContact CG2-CZ 4.39Å; V1129-H1176 PolarHBondContact N-O 3.24Å; V1129-H1176 VanDerWaalsContact N-O 3.16Å; V1129-L1177 HydrophobicContact CG1-CD1 3.84Å; V1129-L1178 PolarHBondContact O-N 3.2Å; V1129-Y1381 HydrophobicContact CG2-CE1 3.83Å; V1129-Y1381 HydrophobicContact CG2-CE2 4.47Å; V1129-Y1381 WeakPolarHBondContact CG2-OH 3.04Å
1130	P	93.3	Very high	91.3	Very high	9 Å²	9	24.5 Å²	24.5	6%	0.058	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.2	178.2	31.8	-32.7	0	0	0	112.1	Y1132 L1178 V1180 S1374 Y1381	P1130-Y1132 HydrophobicContact CB-CD2 4.49Å; P1130-Y1132 HydrophobicContact CB-CE2 3.99Å; P1130-Y1132 HydrophobicContact CG-CE2 4.29Å; P1130-L1178 CarbonylContact C-O 3.33Å; P1130-L1178 WeakPolarHBondContact CA-O 3.45Å; P1130-L1178 HydrophobicContact CB-CB 4.45Å; P1130-L1178 HydrophobicContact CB-CD2 4.45Å; P1130-V1180 HydrophobicContact CB-CG2 3.97Å; P1130-S1374 WeakPolarHBondContact CD-OG 3.44Å; P1130-Y1381 WeakPolarHBondContact O-CE2 3.45Å; P1130-Y1381 VanDerWaalsContact O-CZ 3.28Å; P1130-Y1381 PolarHBondContact O-OH 3.14Å
1131	L	93.7	Very high	91.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113	170.5	171.2	61.4	0	0	0	110.2	L1133 L1157 E1165 I1169 L1177 L1178 L1179 V1180 L1200 Y1381	L1131-L1133 HydrophobicContact CD2-CD2 3.81Å; L1131-L1133 HydrophobicContact CG-CD2 3.91Å; L1131-L1133 PolarHBondContact O-N 3.28Å; L1131-L1157 HydrophobicContact CD1-CD1 4.39Å; L1131-E1165 HydrophobicContact CD1-CB 3.71Å; L1131-E1165 HydrophobicContact CD1-CG 3.9Å; L1131-E1165 HydrophobicContact CD2-CB 4.48Å; L1131-I1169 HydrophobicContact CB-CD1 4.01Å; L1131-I1169 HydrophobicContact CD1-CD1 4.13Å; L1131-I1169 HydrophobicContact CD2-CD1 4.37Å; L1131-I1169 HydrophobicContact CG-CD1 4.39Å; L1131-L1177 HydrophobicContact CB-CD1 3.69Å; L1131-L1177 HydrophobicContact CB-CD2 4.34Å; L1131-L1177 HydrophobicContact CB-CG 4.16Å; L1131-L1177 HydrophobicContact CD2-CD2 4.02Å; L1131-L1178 PolarHBondContact N-O 3.39Å; L1131-L1179 HydrophobicContact CB-CD2 4.25Å; L1131-L1179 HydrophobicContact CD2-CD2 4.14Å; L1131-L1179 HydrophobicContact CG-CD2 4.47Å; L1131-L1179 CarbonylContact O-C 3.57Å; L1131-L1179 WeakPolarHBondContact O-CA 3.4Å; L1131-V1180 PolarHBondContact O-N 3.19Å; L1131-L1200 HydrophobicContact CD2-CD2 4.34Å; L1131-Y1381 HydrophobicContact CD1-CD2 4.18Å; L1131-Y1381 HydrophobicContact CD1-CE2 4.41Å
1132	Y	92	Very high	91.3	Very high	6 Å²	6	18.2 Å²	18.2	2%	0.024	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.5	177.1	-74.2	-109.3	0	0	0	109.7	P1130 F1146 L1157 V1180 K1375 T1376 P1378 Q1390	P1130-Y1132 HydrophobicContact CB-CD2 4.49Å; P1130-Y1132 HydrophobicContact CB-CE2 3.99Å; P1130-Y1132 HydrophobicContact CG-CE2 4.29Å; Y1132-F1146 AromaticContact CD1-CE2 3.83Å; Y1132-F1146 HydrophobicContact CD1-CE2 3.83Å; Y1132-F1146 HydrophobicContact CD1-CZ 4.1Å; Y1132-F1146 HydrophobicContact CE1-CE2 4.07Å; Y1132-F1146 HydrophobicContact CE1-CZ 4.36Å; Y1132-L1157 WeakPolarHBondContact O-CD1 3.17Å; Y1132-V1180 CarbonylContact C-O 3.43Å; Y1132-V1180 VanDerWaalsContact CA-O 3.23Å; Y1132-V1180 WeakPolarHBondContact CA-O 3.43Å; Y1132-V1180 HydrophobicContact CD1-CB 3.86Å; Y1132-V1180 HydrophobicContact CD1-CG1 3.76Å; Y1132-V1180 HydrophobicContact CD2-CB 4.14Å; Y1132-V1180 HydrophobicContact CD2-CG2 4.37Å; Y1132-V1180 HydrophobicContact CE1-CB 3.93Å; Y1132-V1180 HydrophobicContact CE1-CG1 3.46Å; Y1132-V1180 VanDerWaalsContact CE1-CG1 3.46Å; Y1132-V1180 HydrophobicContact CE2-CB 4.14Å; Y1132-V1180 HydrophobicContact CE2-CG1 4.42Å; Y1132-V1180 HydrophobicContact CE2-CG2 4.07Å; Y1132-V1180 HydrophobicContact CG-CB 3.99Å; Y1132-V1180 HydrophobicContact CG-CG1 4.4Å; Y1132-K1375 WeakPolarHBondContact CD2-O 3.39Å; Y1132-K1375 WeakPolarHBondContact CE2-O 3.2Å; Y1132-T1376 VanDerWaalsContact CE2-CA 3.46Å; Y1132-T1376 HydrophobicContact CE2-CG2 4.35Å; Y1132-P1378 WeakPolarHBondContact O-CA 3.21Å; Y1132-Q1390 HydrophobicContact CE1-CB 4.11Å; Y1132-Q1390 PolarHBondContact OH-OE1 3.25Å
1133	L	91.2	Very high	91.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-23.8	-179.9	-52.7	167.4	0	0	0	112.1	L1131 T1156 L1157 I1162 L1179 V1180 T1181 Y1192 F1193	L1131-L1133 HydrophobicContact CD2-CD2 3.81Å; L1131-L1133 HydrophobicContact CG-CD2 3.91Å; L1131-L1133 PolarHBondContact O-N 3.28Å; L1133-T1156 WeakPolarHBondContact O-CA 3.33Å; L1133-L1157 WeakPolarHBondContact O-CG 3.31Å; L1133-L1157 PolarHBondContact O-N 3.49Å; L1133-I1162 HydrophobicContact CD2-CD1 4.27Å; L1133-I1162 HydrophobicContact CD2-CG1 4Å; L1133-L1179 HydrophobicContact CD1-CB 4.13Å; L1133-L1179 HydrophobicContact CD1-CD1 4.33Å; L1133-L1179 HydrophobicContact CD1-CD2 4.23Å; L1133-L1179 HydrophobicContact CD1-CG 4.46Å; L1133-L1179 HydrophobicContact CD2-CD2 4.45Å; L1133-L1179 HydrophobicContact CG-CD2 4.49Å; L1133-V1180 PolarHBondContact N-O 2.62Å; L1133-T1181 HydrophobicContact CB-CG2 3.84Å; L1133-T1181 HydrophobicContact CD1-CG2 4.06Å; L1133-T1181 HydrophobicContact CG-CG2 4.3Å; L1133-Y1192 HydrophobicContact CB-CE1 4.03Å; L1133-Y1192 HydrophobicContact CD1-CE1 4.08Å; L1133-F1193 HydrophobicContact CD1-CE1 4.31Å
1134	S	90.6	Very high	91.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	144.1	179.5	-177.3	0	0	0	0	112.5	L1136 K1155 T1156 T1181 G1182 V1188 P1378	S1134-L1136 WeakPolarHBondContact OG-CB 3.5Å; S1134-L1136 PolarHBondContact OG-N 2.77Å; S1134-L1136 VanDerWaalsContact OG-N 3.08Å; S1134-K1155 VanDerWaalsContact CA-O 3.3Å; S1134-K1155 WeakPolarHBondContact CA-O 3.49Å; S1134-K1155 PolarHBondContact OG-O 3.3Å; S1134-T1156 PolarHBondContact OG-OG1 2.7Å; S1134-T1181 CarbonylContact O-C 3.55Å; S1134-T1181 WeakPolarHBondContact O-CA 3.4Å; S1134-G1182 PolarHBondContact O-N 3.08Å; S1134-V1188 WeakPolarHBondContact OG-CG2 3.31Å; S1134-P1378 VanDerWaalsContact C-CG 3.5Å
1135	N	90.4	Very high	90.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.073	C	C	.	.			trans	-106.1	8.6	168.8	71.6	-5.8	0	0	0	112.9	C1137 F1146 K1153 R1154 K1155 P1378	N1135-C1137 PolarHBondContact O-N 3.06Å; N1135-F1146 HydrophobicContact CB-CD1 3.66Å; N1135-F1146 HydrophobicContact CB-CD2 3.77Å; N1135-F1146 HydrophobicContact CB-CE1 3.44Å; N1135-F1146 VanDerWaalsContact CB-CE1 3.44Å; N1135-F1146 HydrophobicContact CB-CE2 3.53Å; N1135-F1146 HydrophobicContact CB-CG 3.84Å; N1135-F1146 HydrophobicContact CB-CZ 3.36Å; N1135-K1153 PolarHBondContact ND2-O 3.18Å; N1135-R1154 PolarHBondContact O-NH1 2.99Å; N1135-R1154 WeakPolarHBondContact OD1-CA 3.5Å; N1135-K1155 PolarHBondContact N-O 2.8Å; N1135-K1155 VanDerWaalsContact N-O 3.11Å; N1135-K1155 PolarHBondContact OD1-N 2.89Å; N1135-K1155 PolarHBondContact OD1-O 2.97Å; N1135-P1378 HydrophobicContact CB-CG 3.72Å; N1135-P1378 VanDerWaalsContact N-CG 3.31Å
1136	L	89.7	Confident	90.7	Very high	37 Å²	37	12.1 Å²	12.1	19%	0.194	7%	0.074	C	C	.	.			trans	-75.2	117.9	173.7	-173.1	68	0	0	0	109.4	S1134 R1154 G1182 H1184 K1187	S1134-L1136 WeakPolarHBondContact OG-CB 3.5Å; S1134-L1136 PolarHBondContact OG-N 2.77Å; S1134-L1136 VanDerWaalsContact OG-N 3.08Å; L1136-R1154 HydrophobicContact CD1-CB 3.98Å; L1136-R1154 HydrophobicContact CD1-CG 3.9Å; L1136-G1182 CarbonylContact O-C 3.47Å; L1136-G1182 VanDerWaalsContact O-CA 3.26Å; L1136-G1182 WeakPolarHBondContact O-CA 2.75Å; L1136-H1184 HydrophobicContact CB-CB 4.45Å; L1136-H1184 HydrophobicContact CD2-CB 3.99Å; L1136-H1184 HydrophobicContact CG-CB 3.9Å; L1136-K1187 HydrophobicContact CD2-CB 3.72Å; L1136-K1187 HydrophobicContact CD2-CG 3.77Å
1137	C	88.5	Confident	90.6	Very high	15 Å²	15	10.5 Å²	10.5	10%	0.101	6%	0.063	C	C	.	.			trans	-134.9	139.7	-177.7	-168.6	0	0	0	0	110.3	N1135 N1139 F1146 E1183	N1135-C1137 PolarHBondContact O-N 3.06Å; C1137-N1139 PolarHBondContact SG-N 2.74Å; C1137-F1146 HydrophobicContact CB-CB 4.36Å; C1137-F1146 WeakPolarHBondContact CB-O 3.49Å; C1137-E1183 CarbonylContact C-O 3.58Å; C1137-E1183 PolarHBondContact SG-N 2.95Å
1138	A	89.4	Confident	90.3	Very high	32 Å²	32	15.1 Å²	15.1	26%	0.264	9%	0.085	S	C	.	.			trans	-93.1	-6.4	177.6	0	0	0	0	0	113.3	M1148 E1183	A1138-M1148 VanDerWaalsContact CA-CE 3.47Å; A1138-M1148 HydrophobicContact CB-CE 4.02Å; A1138-M1148 WeakPolarHBondContact O-CE 3Å; A1138-E1183 VanDerWaalsContact CB-O 3.28Å; A1138-E1183 WeakPolarHBondContact CB-O 3.48Å; A1138-E1183 PolarHBondContact N-O 2.98Å
1139	N	90.1	Very high	90	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	11%	0.106	C	C	.	.			trans	-92.6	147.9	-179.5	-56.3	-54.9	0	0	0	112.2	C1137 M1148 E1183 K1248 G1249 K1250 K1251	C1137-N1139 PolarHBondContact SG-N 2.74Å; N1139-M1148 PolarHBondContact O-N 2.59Å; N1139-E1183 VanDerWaalsContact ND2-CB 3.34Å; N1139-E1183 WeakPolarHBondContact ND2-CB 3.42Å; N1139-E1183 PolarHBondContact ND2-OE2 2.67Å; N1139-K1248 CarbonylContact C-O 3.57Å; N1139-K1248 VanDerWaalsContact CA-O 3.23Å; N1139-K1248 WeakPolarHBondContact CA-O 3.41Å; N1139-G1249 VanDerWaalsContact OD1-C 3.24Å; N1139-G1249 VanDerWaalsContact OD1-CA 3.3Å; N1139-G1249 WeakPolarHBondContact OD1-CA 3.48Å; N1139-K1250 PolarHBondContact OD1-N 3.38Å; N1139-K1251 HydrophobicContact CB-CB 4.04Å; N1139-K1251 VanDerWaalsContact CG-CB 3.41Å; N1139-K1251 WeakPolarHBondContact OD1-CB 3.34Å; N1139-K1251 PolarHBondContact OD1-N 2.87Å
1140	D	91.1	Very high	89.6	Confident	21 Å²	21	19.1 Å²	19.1	11%	0.112	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	102.1	168.9	-168.7	1.5	0	0	0	109.6	S1147 S1149 L1247 K1248	D1140-S1147 WeakPolarHBondContact CA-OG 3.45Å; D1140-S1147 PolarHBondContact OD1-OG 2.77Å; D1140-S1149 PolarHBondContact OD1-OG 2.83Å; D1140-S1149 PolarHBondContact OD2-OG 2.98Å; D1140-L1247 HydrophobicContact CB-CB 4.18Å; D1140-L1247 PolarHBondContact O-N 2.86Å; D1140-K1248 HydrophobicContact CB-CB 3.76Å; D1140-K1248 HydrophobicContact CB-CG 4.29Å; D1140-K1248 PolarHBondContact N-O 3.08Å
1141	C	90.9	Very high	89.1	Confident	6 Å²	6	30.9 Å²	30.9	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.5	-177.2	-52.8	0	0	0	0	109.3	Y1143 C1144 S1147 H1245	C1141-Y1143 HydrophobicContact CB-CE1 4.23Å; C1141-Y1143 PolarHBondContact O-N 3.17Å; C1141-C1144 HydrophobicContact CB-CB 3.88Å; C1141-C1144 PolarHBondContact O-N 3.28Å; C1141-C1144 VanDerWaalsContact O-N 3.16Å; C1141-S1147 PolarHBondContact N-OG 3Å; C1141-H1245 CarbonylContact C-O 3.1Å; C1141-H1245 VanDerWaalsContact CA-O 3.29Å; C1141-H1245 WeakPolarHBondContact CA-O 3.14Å
1142	T	90.5	Very high	88.6	Confident	31 Å²	31	32.5 Å²	32.5	19%	0.19	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	-173.6	54.6	0	0	0	0	115	H1245 L1247	T1142-H1245 PolarHBondContact N-O 3.36Å; T1142-H1245 WeakPolarHBondContact OG1-CA 3.35Å; T1142-H1245 WeakPolarHBondContact OG1-CB 3.17Å; T1142-H1245 PolarHBondContact OG1-ND1 3.18Å; T1142-H1245 PolarHBondContact OG1-O 3.04Å; T1142-L1247 HydrophobicContact CG2-CD1 3.76Å; T1142-L1247 HydrophobicContact CG2-CG 4.1Å
1143	Y	88.9	Confident	88.2	Confident	17 Å²	17	38.4 Å²	38.4	7%	0.067	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	1.9	-176.7	59.3	-99.2	0	0	0	114.2	C1141 E1235 H1245 H1246 K1251 L1277 L1280 C1317	C1141-Y1143 HydrophobicContact CB-CE1 4.23Å; C1141-Y1143 PolarHBondContact O-N 3.17Å; Y1143-E1235 VanDerWaalsContact OH-CG 3.27Å; Y1143-E1235 WeakPolarHBondContact OH-CG 3.47Å; Y1143-H1245 HydrophobicContact CD1-CB 3.95Å; Y1143-H1245 HydrophobicContact CE1-CB 3.95Å; Y1143-H1246 AromaticContact CE1-CE1 3.92Å; Y1143-H1246 AromaticContact CE1-NE2 3.54Å; Y1143-H1246 AromaticContact CZ-NE2 3.51Å; Y1143-H1246 PolarHBondContact OH-NE2 2.7Å; Y1143-K1251 VanDerWaalsContact OH-CE 3.3Å; Y1143-K1251 WeakPolarHBondContact OH-CE 3.44Å; Y1143-K1251 PolarHBondContact OH-NZ 3.29Å; Y1143-L1277 HydrophobicContact CD2-CD2 3.45Å; Y1143-L1277 VanDerWaalsContact CD2-CD2 3.45Å; Y1143-L1277 HydrophobicContact CE2-CD2 3.75Å; Y1143-L1277 HydrophobicContact CG-CD2 4Å; Y1143-L1280 HydrophobicContact CD1-CD1 3.84Å; Y1143-L1280 HydrophobicContact CD1-CD2 3.58Å; Y1143-L1280 HydrophobicContact CD1-CG 4.37Å; Y1143-L1280 HydrophobicContact CE1-CD1 3.77Å; Y1143-L1280 HydrophobicContact CE1-CD2 4.36Å; Y1143-L1280 HydrophobicContact CG-CD1 4.4Å; Y1143-L1280 HydrophobicContact CG-CD2 3.85Å; Y1143-C1317 PolarHBondContact O-SG 3.21Å
1144	C	87.7	Confident	88.1	Confident	20 Å²	20	41.8 Å²	41.8	14%	0.135	20%	0.203	C	C	.	.			trans	-115.8	127.8	-170.1	-176.2	0	0	0	0	112.4	C1141 F1146 S1147 N1150	C1141-C1144 HydrophobicContact CB-CB 3.88Å; C1141-C1144 PolarHBondContact O-N 3.28Å; C1141-C1144 VanDerWaalsContact O-N 3.16Å; C1144-F1146 PolarHBondContact O-N 2.73Å; C1144-F1146 VanDerWaalsContact O-N 3.15Å; C1144-F1146 PolarHBondContact SG-N 3.38Å; C1144-S1147 WeakPolarHBondContact O-CB 3.39Å; C1144-S1147 PolarHBondContact O-N 3.13Å; C1144-N1150 PolarHBondContact O-ND2 2.89Å
1145	G	86.6	Confident	88.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.3	176.3	0	0	0	0	0	113.7	S1147 N1150 I1152 Q1390	G1145-S1147 VanDerWaalsContact C-N 3.29Å; G1145-S1147 PolarHBondContact O-N 3.42Å; G1145-N1150 PolarHBondContact O-ND2 3.29Å; G1145-I1152 WeakPolarHBondContact O-CD1 3.36Å; G1145-Q1390 PolarHBondContact N-O 3.47Å
1146	F	89.7	Confident	88.1	Confident	4 Å²	4	46 Å²	46	2%	0.018	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.9	179	-63.6	-8.3	0	0	0	114.5	Y1132 N1135 C1137 C1144 M1148 I1152 R1154 L1388 Q1390	Y1132-F1146 AromaticContact CD1-CE2 3.83Å; Y1132-F1146 HydrophobicContact CD1-CE2 3.83Å; Y1132-F1146 HydrophobicContact CD1-CZ 4.1Å; Y1132-F1146 HydrophobicContact CE1-CE2 4.07Å; Y1132-F1146 HydrophobicContact CE1-CZ 4.36Å; N1135-F1146 HydrophobicContact CB-CD1 3.66Å; N1135-F1146 HydrophobicContact CB-CD2 3.77Å; N1135-F1146 HydrophobicContact CB-CE1 3.44Å; N1135-F1146 VanDerWaalsContact CB-CE1 3.44Å; N1135-F1146 HydrophobicContact CB-CE2 3.53Å; N1135-F1146 HydrophobicContact CB-CG 3.84Å; N1135-F1146 HydrophobicContact CB-CZ 3.36Å; C1137-F1146 HydrophobicContact CB-CB 4.36Å; C1137-F1146 WeakPolarHBondContact CB-O 3.49Å; C1144-F1146 PolarHBondContact O-N 2.73Å; C1144-F1146 VanDerWaalsContact O-N 3.15Å; C1144-F1146 PolarHBondContact SG-N 3.38Å; F1146-M1148 PolarHBondContact O-N 3.04Å; F1146-I1152 HydrophobicContact CD1-CD1 3.8Å; F1146-I1152 HydrophobicContact CE1-CD1 4.48Å; F1146-R1154 PolarHBondContact O-NH1 2.95Å; F1146-L1388 WeakPolarHBondContact CE1-O 3.34Å; F1146-Q1390 HydrophobicContact CD1-CB 4.25Å; F1146-Q1390 HydrophobicContact CD1-CG 4.36Å; F1146-Q1390 HydrophobicContact CD2-CB 4.37Å; F1146-Q1390 HydrophobicContact CD2-CG 4.13Å; F1146-Q1390 HydrophobicContact CE1-CB 3.8Å; F1146-Q1390 HydrophobicContact CE1-CG 4.39Å; F1146-Q1390 HydrophobicContact CE2-CB 3.95Å; F1146-Q1390 HydrophobicContact CE2-CG 4.18Å; F1146-Q1390 HydrophobicContact CG-CG 4.22Å; F1146-Q1390 HydrophobicContact CZ-CB 3.64Å; F1146-Q1390 HydrophobicContact CZ-CG 4.3Å
1147	S	88.4	Confident	88.2	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.028	22%	0.216	C	C	.	.			trans	-46.4	136.3	176.4	177.7	0	0	0	0	111.5	D1140 C1141 C1144 G1145 S1149 N1150 R1154	D1140-S1147 WeakPolarHBondContact CA-OG 3.45Å; D1140-S1147 PolarHBondContact OD1-OG 2.77Å; C1141-S1147 PolarHBondContact N-OG 3Å; C1144-S1147 WeakPolarHBondContact O-CB 3.39Å; C1144-S1147 PolarHBondContact O-N 3.13Å; G1145-S1147 VanDerWaalsContact C-N 3.29Å; G1145-S1147 PolarHBondContact O-N 3.42Å; S1147-S1149 PolarHBondContact O-N 3.07Å; S1147-S1149 VanDerWaalsContact O-N 3.15Å; S1147-S1149 PolarHBondContact OG-N 3.17Å; S1147-N1150 WeakPolarHBondContact O-CB 3.22Å; S1147-N1150 PolarHBondContact O-N 2.65Å; S1147-R1154 PolarHBondContact O-NH2 3.07Å
1148	M	86.8	Confident	88.4	Confident	98 Å²	98	47.7 Å²	47.7	48%	0.483	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36	179.2	176.7	-175	-89.1	0	0	111.9	A1138 N1139 F1146 N1150	A1138-M1148 VanDerWaalsContact CA-CE 3.47Å; A1138-M1148 HydrophobicContact CB-CE 4.02Å; A1138-M1148 WeakPolarHBondContact O-CE 3Å; N1139-M1148 PolarHBondContact O-N 2.59Å; F1146-M1148 PolarHBondContact O-N 3.04Å; M1148-N1150 PolarHBondContact O-N 3.39Å
1149	S	86	Confident	88.4	Confident	68 Å²	68	52.5 Å²	52.5	48%	0.476	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-19.2	-178.8	-61.4	0	0	0	0	113.3	D1140 S1147	D1140-S1149 PolarHBondContact OD1-OG 2.83Å; D1140-S1149 PolarHBondContact OD2-OG 2.98Å; S1147-S1149 PolarHBondContact O-N 3.07Å; S1147-S1149 VanDerWaalsContact O-N 3.15Å; S1147-S1149 PolarHBondContact OG-N 3.17Å
1150	N	85.8	Confident	88.5	Confident	29 Å²	29	55 Å²	55	16%	0.155	27%	0.271	C	S	.	.	S	Bend	trans	-75.6	126.5	174.6	-70.2	-20.4	0	0	0	110.8	C1144 G1145 S1147 M1148 I1152 R1154 T1318	C1144-N1150 PolarHBondContact O-ND2 2.89Å; G1145-N1150 PolarHBondContact O-ND2 3.29Å; S1147-N1150 WeakPolarHBondContact O-CB 3.22Å; S1147-N1150 PolarHBondContact O-N 2.65Å; M1148-N1150 PolarHBondContact O-N 3.39Å; N1150-I1152 HydrophobicContact CB-CG2 4.29Å; N1150-I1152 PolarHBondContact O-N 3.04Å; N1150-R1154 PolarHBondContact O-NH2 3.24Å; N1150-T1318 PolarHBondContact ND2-O 3.21Å
1151	R	83.2	Confident	88.5	Confident	256 Å²	256	55 Å²	55	97%	0.966	27%	0.272	S	S	*	.			trans	-80.8	67.7	176.3	-64.8	-175.7	179.2	-176.2	0.3	111
1152	I	82.7	Confident	88.6	Confident	33 Å²	33	55.1 Å²	55.1	17%	0.169	27%	0.271	C	S	.	.			trans	-105.8	155.4	175.2	61.4	165.2	0	0	0	111.2	G1145 F1146 N1150 R1154 T1318	G1145-I1152 WeakPolarHBondContact O-CD1 3.36Å; F1146-I1152 HydrophobicContact CD1-CD1 3.8Å; F1146-I1152 HydrophobicContact CE1-CD1 4.48Å; N1150-I1152 HydrophobicContact CB-CG2 4.29Å; N1150-I1152 PolarHBondContact O-N 3.04Å; I1152-R1154 PolarHBondContact O-N 3.06Å; I1152-T1318 HydrophobicContact CG2-CG2 4.37Å
1153	K	85.1	Confident	88.7	Confident	131 Å²	131	56 Å²	56	57%	0.57	28%	0.282	S	S	*	.			trans	-64.7	130.7	172.8	179.4	179.6	179.4	-172.7	0	108.8	N1135 L1388	N1135-K1153 PolarHBondContact ND2-O 3.18Å; K1153-L1388 HydrophobicContact CB-CD2 3.67Å; K1153-L1388 HydrophobicContact CD-CD2 4.24Å; K1153-L1388 HydrophobicContact CG-CD2 3.98Å; K1153-L1388 WeakPolarHBondContact O-CD2 3.38Å
1154	R	87.6	Confident	88.9	Confident	72 Å²	72	60 Å²	60	27%	0.272	30%	0.297	S	S	.	.			trans	-99.7	129.4	180	-54.5	-62	-179.8	159.4	-2.9	110.2	N1135 L1136 F1146 S1147 N1150 I1152	N1135-R1154 PolarHBondContact O-NH1 2.99Å; N1135-R1154 WeakPolarHBondContact OD1-CA 3.5Å; L1136-R1154 HydrophobicContact CD1-CB 3.98Å; L1136-R1154 HydrophobicContact CD1-CG 3.9Å; F1146-R1154 PolarHBondContact O-NH1 2.95Å; S1147-R1154 PolarHBondContact O-NH2 3.07Å; N1150-R1154 PolarHBondContact O-NH2 3.24Å; I1152-R1154 PolarHBondContact O-N 3.06Å
1155	K	90.3	Very high	89.2	Confident	41 Å²	41	59.2 Å²	59.2	18%	0.178	29%	0.291	C	S	.	.			trans	-132.5	135.2	177.1	-170.9	178.8	-176.3	-171.9	0	108.9	S1134 N1135 L1157 D1161 P1378 L1388	S1134-K1155 VanDerWaalsContact CA-O 3.3Å; S1134-K1155 WeakPolarHBondContact CA-O 3.49Å; S1134-K1155 PolarHBondContact OG-O 3.3Å; N1135-K1155 PolarHBondContact N-O 2.8Å; N1135-K1155 VanDerWaalsContact N-O 3.11Å; N1135-K1155 PolarHBondContact OD1-N 2.89Å; N1135-K1155 PolarHBondContact OD1-O 2.97Å; K1155-L1157 HydrophobicContact CD-CD2 3.99Å; K1155-L1157 HydrophobicContact CG-CD2 4.26Å; K1155-D1161 WeakPolarHBondContact CE-OD2 3.39Å; K1155-D1161 IonicContact NZ-OD2 3.88Å; K1155-P1378 HydrophobicContact CB-CB 4.49Å; K1155-L1388 HydrophobicContact CB-CD1 4.22Å; K1155-L1388 HydrophobicContact CD-CD1 4.19Å
1156	T	91.1	Very high	89.4	Confident	48 Å²	48	59.2 Å²	59.2	29%	0.294	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-123.6	125.9	167.3	-59.7	0	0	0	0	105.7	L1133 S1134 V1188 Y1192	L1133-T1156 WeakPolarHBondContact O-CA 3.33Å; S1134-T1156 PolarHBondContact OG-OG1 2.7Å; T1156-V1188 HydrophobicContact CG2-CG2 3.79Å; T1156-Y1192 HydrophobicContact CG2-CD2 4.31Å; T1156-Y1192 HydrophobicContact CG2-CE2 3.68Å
1157	L	92.5	Very high	89.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.312	C	S	.	.			trans	-70	135.6	-177.2	-57.1	-171.3	0	0	0	110	L1131 Y1132 L1133 K1155 D1161 I1162 E1165 Y1192 P1378	L1131-L1157 HydrophobicContact CD1-CD1 4.39Å; Y1132-L1157 WeakPolarHBondContact O-CD1 3.17Å; L1133-L1157 WeakPolarHBondContact O-CG 3.31Å; L1133-L1157 PolarHBondContact O-N 3.49Å; K1155-L1157 HydrophobicContact CD-CD2 3.99Å; K1155-L1157 HydrophobicContact CG-CD2 4.26Å; L1157-D1161 HydrophobicContact CB-CB 3.72Å; L1157-D1161 HydrophobicContact CD2-CB 3.95Å; L1157-D1161 HydrophobicContact CG-CB 4.27Å; L1157-I1162 HydrophobicContact CB-CG1 3.91Å; L1157-E1165 HydrophobicContact CD1-CG 3.81Å; L1157-Y1192 VanDerWaalsContact O-CE2 3.24Å; L1157-Y1192 WeakPolarHBondContact O-CE2 3.35Å; L1157-Y1192 VanDerWaalsContact O-CZ 3.32Å; L1157-Y1192 PolarHBondContact O-OH 3.19Å; L1157-P1378 HydrophobicContact CD2-CB 4.02Å; L1157-P1378 HydrophobicContact CG-CB 4.23Å
1158	D	91.1	Very high	89.7	Confident	87 Å²	87	62.4 Å²	62.4	47%	0.465	32%	0.319	S	S	.	.			trans	-88.4	-174.8	168.9	66.2	24.3	0	0	0	111.4	A1160 D1161 I1162	D1158-A1160 VanDerWaalsContact C-N 3.29Å; D1158-A1160 PolarHBondContact O-N 3.03Å; D1158-A1160 WeakPolarHBondContact OD1-CB 3.46Å; D1158-A1160 PolarHBondContact OD1-N 2.89Å; D1158-D1161 PolarHBondContact O-N 3.34Å; D1158-D1161 PolarHBondContact OD1-N 2.84Å; D1158-I1162 WeakPolarHBondContact O-CB 3.08Å; D1158-I1162 VanDerWaalsContact O-CG1 3.28Å; D1158-I1162 WeakPolarHBondContact O-CG1 3.23Å; D1158-I1162 PolarHBondContact O-N 3.27Å
1159	E	90.4	Very high	90	Very high	132 Å²	132	57.8 Å²	57.8	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-60.3	-37.8	-179.7	-163.9	172.3	161.6	0	0	112.8	A1163	E1159-A1163 WeakPolarHBondContact O-CB 3.25Å; E1159-A1163 PolarHBondContact O-N 3.01Å
1160	A	91.9	Very high	90.1	Very high	55 Å²	55	59.6 Å²	59.6	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-72.7	-39.9	179.3	0	0	0	0	0	111.2	D1158 R1164	D1158-A1160 VanDerWaalsContact C-N 3.29Å; D1158-A1160 PolarHBondContact O-N 3.03Å; D1158-A1160 WeakPolarHBondContact OD1-CB 3.46Å; D1158-A1160 PolarHBondContact OD1-N 2.89Å; A1160-R1164 WeakPolarHBondContact O-CG 3.28Å; A1160-R1164 PolarHBondContact O-N 3.04Å; A1160-R1164 VanDerWaalsContact O-N 3.15Å; A1160-R1164 PolarHBondContact O-NH1 3.21Å
1161	D	92.2	Very high	90.3	Very high	23 Å²	23	66.6 Å²	66.6	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-62	-48	173.1	-74.9	-12.6	0	0	0	111.2	K1155 L1157 D1158 A1163 R1164 E1165	K1155-D1161 WeakPolarHBondContact CE-OD2 3.39Å; K1155-D1161 IonicContact NZ-OD2 3.88Å; L1157-D1161 HydrophobicContact CB-CB 3.72Å; L1157-D1161 HydrophobicContact CD2-CB 3.95Å; L1157-D1161 HydrophobicContact CG-CB 4.27Å; D1158-D1161 PolarHBondContact O-N 3.34Å; D1158-D1161 PolarHBondContact OD1-N 2.84Å; D1161-A1163 VanDerWaalsContact C-N 3.32Å; D1161-A1163 PolarHBondContact O-N 2.65Å; D1161-R1164 PolarHBondContact O-N 2.79Å; D1161-R1164 IonicContact OD1-CZ 3.64Å; D1161-R1164 VanDerWaalsContact OD1-CZ 3.27Å; D1161-R1164 IonicContact OD1-NH1 3.75Å; D1161-R1164 PolarHBondContact OD1-NH1 2.99Å; D1161-R1164 IonicContact OD1-NH2 2.73Å; D1161-R1164 PolarHBondContact OD1-NH2 3.28Å; D1161-E1165 WeakPolarHBondContact O-CG 3.39Å; D1161-E1165 PolarHBondContact O-N 2.88Å
1162	I	92.8	Very high	90.6	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-41.6	178.8	-70.3	163.1	0	0	0	111.1	L1133 L1157 D1158 R1164 E1165 S1166 Y1192 H1196 L1200	L1133-I1162 HydrophobicContact CD2-CD1 4.27Å; L1133-I1162 HydrophobicContact CD2-CG1 4Å; L1157-I1162 HydrophobicContact CB-CG1 3.91Å; D1158-I1162 WeakPolarHBondContact O-CB 3.08Å; D1158-I1162 VanDerWaalsContact O-CG1 3.28Å; D1158-I1162 WeakPolarHBondContact O-CG1 3.23Å; D1158-I1162 PolarHBondContact O-N 3.27Å; I1162-R1164 PolarHBondContact O-N 3.26Å; I1162-E1165 PolarHBondContact O-N 3.45Å; I1162-S1166 VanDerWaalsContact O-CB 3.24Å; I1162-S1166 WeakPolarHBondContact O-CB 3.37Å; I1162-S1166 PolarHBondContact O-N 3.27Å; I1162-S1166 PolarHBondContact O-OG 2.78Å; I1162-Y1192 WeakPolarHBondContact CD1-OH 3.26Å; I1162-H1196 HydrophobicContact CD1-CB 3.78Å; I1162-L1200 HydrophobicContact CG2-CD1 4.41Å; I1162-L1200 HydrophobicContact CG2-CD2 3.76Å; I1162-L1200 HydrophobicContact CG2-CG 4.07Å
1163	A	91.6	Very high	90.8	Very high	50 Å²	50	55.4 Å²	55.4	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-41.3	177	0	0	0	0	0	112.1	E1159 D1161 S1166 A1167	E1159-A1163 WeakPolarHBondContact O-CB 3.25Å; E1159-A1163 PolarHBondContact O-N 3.01Å; D1161-A1163 VanDerWaalsContact C-N 3.32Å; D1161-A1163 PolarHBondContact O-N 2.65Å; A1163-S1166 PolarHBondContact O-N 3.49Å; A1163-A1167 WeakPolarHBondContact O-CB 3.33Å; A1163-A1167 PolarHBondContact O-N 3.32Å
1164	R	93.6	Very high	91	Very high	102 Å²	102	49.2 Å²	49.2	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-45.9	176.1	-68.3	-164.4	-46	-79.3	6.9	112.1	A1160 D1161 I1162 S1166 A1167 A1168 A1382 D1383	A1160-R1164 WeakPolarHBondContact O-CG 3.28Å; A1160-R1164 PolarHBondContact O-N 3.04Å; A1160-R1164 VanDerWaalsContact O-N 3.15Å; A1160-R1164 PolarHBondContact O-NH1 3.21Å; D1161-R1164 PolarHBondContact O-N 2.79Å; D1161-R1164 IonicContact OD1-CZ 3.64Å; D1161-R1164 VanDerWaalsContact OD1-CZ 3.27Å; D1161-R1164 IonicContact OD1-NH1 3.75Å; D1161-R1164 PolarHBondContact OD1-NH1 2.99Å; D1161-R1164 IonicContact OD1-NH2 2.73Å; D1161-R1164 PolarHBondContact OD1-NH2 3.28Å; I1162-R1164 PolarHBondContact O-N 3.26Å; R1164-S1166 VanDerWaalsContact C-N 3.34Å; R1164-S1166 PolarHBondContact O-N 3.24Å; R1164-A1167 PolarHBondContact O-N 3.02Å; R1164-A1168 PolarHBondContact O-N 3.31Å; R1164-A1382 HydrophobicContact CB-CB 3.97Å; R1164-D1383 IonicContact CZ-OD2 3.27Å; R1164-D1383 IonicContact NE-OD2 3.07Å; R1164-D1383 IonicContact NH2-OD2 2.68Å; R1164-D1383 PolarHBondContact NH2-OD2 2.81Å
1165	E	93.4	Very high	91	Very high	2 Å²	2	47 Å²	47	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-44.8	175.8	-70.3	-66	100.8	0	0	111.4	L1131 L1157 D1161 I1162 A1167 A1168 I1169 G1379 G1380 Y1381 A1382	L1131-E1165 HydrophobicContact CD1-CB 3.71Å; L1131-E1165 HydrophobicContact CD1-CG 3.9Å; L1131-E1165 HydrophobicContact CD2-CB 4.48Å; L1157-E1165 HydrophobicContact CD1-CG 3.81Å; D1161-E1165 WeakPolarHBondContact O-CG 3.39Å; D1161-E1165 PolarHBondContact O-N 2.88Å; I1162-E1165 PolarHBondContact O-N 3.45Å; E1165-A1167 VanDerWaalsContact C-N 3.34Å; E1165-A1167 PolarHBondContact O-N 3.08Å; E1165-A1168 PolarHBondContact O-N 3.13Å; E1165-I1169 WeakPolarHBondContact O-CB 3.39Å; E1165-I1169 VanDerWaalsContact O-CG1 3.27Å; E1165-I1169 WeakPolarHBondContact O-CG1 3.01Å; E1165-I1169 PolarHBondContact O-N 3.17Å; E1165-G1379 WeakPolarHBondContact OE1-CA 3.24Å; E1165-G1379 WeakPolarHBondContact OE2-CA 3.26Å; E1165-G1380 PolarHBondContact OE2-N 3.02Å; E1165-G1380 VanDerWaalsContact OE2-N 3.13Å; E1165-Y1381 PolarHBondContact OE1-N 3.48Å; E1165-Y1381 WeakPolarHBondContact OE2-CD2 3.35Å; E1165-Y1381 PolarHBondContact OE2-N 3.39Å; E1165-A1382 WeakPolarHBondContact OE1-CA 3.43Å; E1165-A1382 WeakPolarHBondContact OE1-CB 3.11Å; E1165-A1382 PolarHBondContact OE1-N 3.27Å
1166	S	92.3	Very high	91	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-42.7	179.7	-58.3	0	0	0	0	111.2	I1162 A1163 R1164 I1169 R1170 L1200 Q1203	I1162-S1166 VanDerWaalsContact O-CB 3.24Å; I1162-S1166 WeakPolarHBondContact O-CB 3.37Å; I1162-S1166 PolarHBondContact O-N 3.27Å; I1162-S1166 PolarHBondContact O-OG 2.78Å; A1163-S1166 PolarHBondContact O-N 3.49Å; R1164-S1166 VanDerWaalsContact C-N 3.34Å; R1164-S1166 PolarHBondContact O-N 3.24Å; S1166-I1169 PolarHBondContact O-N 2.88Å; S1166-R1170 WeakPolarHBondContact O-CB 3.48Å; S1166-R1170 VanDerWaalsContact O-CG 3.27Å; S1166-R1170 WeakPolarHBondContact O-CG 3.29Å; S1166-R1170 PolarHBondContact O-N 3.46Å; S1166-L1200 WeakPolarHBondContact OG-CD2 3.04Å; S1166-Q1203 VanDerWaalsContact CB-OE1 3.28Å
1167	A	91.4	Very high	91	Very high	56 Å²	56	43.3 Å²	43.3	46%	0.463	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-47	175.3	0	0	0	0	0	112	A1163 R1164 E1165 I1169 R1170 E1171	A1163-A1167 WeakPolarHBondContact O-CB 3.33Å; A1163-A1167 PolarHBondContact O-N 3.32Å; R1164-A1167 PolarHBondContact O-N 3.02Å; E1165-A1167 VanDerWaalsContact C-N 3.34Å; E1165-A1167 PolarHBondContact O-N 3.08Å; A1167-I1169 VanDerWaalsContact C-N 3.33Å; A1167-I1169 PolarHBondContact O-N 3.4Å; A1167-R1170 PolarHBondContact O-N 3.16Å; A1167-E1171 PolarHBondContact O-N 3.39Å
1168	A	92.2	Very high	91.1	Very high	20 Å²	20	43.5 Å²	43.5	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-38.3	178.4	0	0	0	0	0	112.5	R1164 E1165 A1382	R1164-A1168 PolarHBondContact O-N 3.31Å; E1165-A1168 PolarHBondContact O-N 3.13Å; A1168-A1382 HydrophobicContact CB-CB 4.45Å
1169	I	92.6	Very high	91.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.5	-43.8	176.6	-69.5	170.6	0	0	0	111.4	V1129 L1131 E1165 S1166 A1167 E1171 M1172 F1174 L1177 F1204 Y1381	V1129-I1169 HydrophobicContact CG1-CG2 3.55Å; L1131-I1169 HydrophobicContact CB-CD1 4.01Å; L1131-I1169 HydrophobicContact CD1-CD1 4.13Å; L1131-I1169 HydrophobicContact CD2-CD1 4.37Å; L1131-I1169 HydrophobicContact CG-CD1 4.39Å; E1165-I1169 WeakPolarHBondContact O-CB 3.39Å; E1165-I1169 VanDerWaalsContact O-CG1 3.27Å; E1165-I1169 WeakPolarHBondContact O-CG1 3.01Å; E1165-I1169 PolarHBondContact O-N 3.17Å; S1166-I1169 PolarHBondContact O-N 2.88Å; A1167-I1169 VanDerWaalsContact C-N 3.33Å; A1167-I1169 PolarHBondContact O-N 3.4Å; I1169-E1171 VanDerWaalsContact C-N 3.31Å; I1169-E1171 PolarHBondContact O-N 2.8Å; I1169-M1172 HydrophobicContact CG1-CE 4.31Å; I1169-M1172 WeakPolarHBondContact O-CB 3.34Å; I1169-M1172 PolarHBondContact O-N 3.48Å; I1169-M1172 VanDerWaalsContact O-N 3.09Å; I1169-F1174 HydrophobicContact CG2-CB 3.9Å; I1169-F1174 HydrophobicContact CG2-CD2 4.31Å; I1169-L1177 HydrophobicContact CD1-CD1 3.76Å; I1169-L1177 HydrophobicContact CG2-CD1 4.3Å; I1169-F1204 HydrophobicContact CB-CE1 4.44Å; I1169-F1204 HydrophobicContact CB-CZ 4.25Å; I1169-F1204 HydrophobicContact CG2-CE1 3.79Å; I1169-F1204 HydrophobicContact CG2-CZ 4.05Å; I1169-Y1381 HydrophobicContact CD1-CD2 3.6Å; I1169-Y1381 HydrophobicContact CD1-CE2 3.82Å; I1169-Y1381 HydrophobicContact CD1-CG 4.11Å; I1169-Y1381 HydrophobicContact CG1-CD1 4.07Å; I1169-Y1381 HydrophobicContact CG1-CD2 3.73Å; I1169-Y1381 HydrophobicContact CG1-CE1 4.47Å; I1169-Y1381 HydrophobicContact CG1-CE2 4.17Å; I1169-Y1381 HydrophobicContact CG1-CG 3.68Å
1170	R	89.3	Confident	91.3	Very high	106 Å²	106	33.3 Å²	33.3	40%	0.4	19%	0.189	S	C	.	.	H	α-helix	trans	-67.1	-32	179.6	-73	-175.4	71.7	-137.1	-2.7	112.6	S1166 A1167 M1172 G1173 Q1203 F1204	S1166-R1170 WeakPolarHBondContact O-CB 3.48Å; S1166-R1170 VanDerWaalsContact O-CG 3.27Å; S1166-R1170 WeakPolarHBondContact O-CG 3.29Å; S1166-R1170 PolarHBondContact O-N 3.46Å; A1167-R1170 PolarHBondContact O-N 3.16Å; R1170-M1172 PolarHBondContact O-N 3.33Å; R1170-G1173 PolarHBondContact O-N 3.41Å; R1170-Q1203 PolarHBondContact NE-O 3.03Å; R1170-F1204 HydrophobicContact CG-CD1 4.29Å; R1170-F1204 HydrophobicContact CG-CE1 3.5Å; R1170-F1204 VanDerWaalsContact CG-CE1 3.5Å; R1170-F1204 HydrophobicContact CG-CZ 3.7Å
1171	E	89.6	Confident	91.2	Very high	177 Å²	177	31.3 Å²	31.3	83%	0.827	17%	0.171	S	C	*	.	H	α-helix	trans	-59.7	-28.5	172.4	-169.2	177.6	177.6	0	0	112.1	A1167 I1169 G1173	A1167-E1171 PolarHBondContact O-N 3.39Å; I1169-E1171 VanDerWaalsContact C-N 3.31Å; I1169-E1171 PolarHBondContact O-N 2.8Å; E1171-G1173 VanDerWaalsContact C-N 3.33Å
1172	M	89	Confident	90.8	Very high	17 Å²	17	30.5 Å²	30.5	8%	0.084	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.4	173.9	-61	-175.1	-74.1	0	0	113.9	I1169 R1170 F1174 F1373 Y1381 P1399 W1415	I1169-M1172 HydrophobicContact CG1-CE 4.31Å; I1169-M1172 WeakPolarHBondContact O-CB 3.34Å; I1169-M1172 PolarHBondContact O-N 3.48Å; I1169-M1172 VanDerWaalsContact O-N 3.09Å; R1170-M1172 PolarHBondContact O-N 3.33Å; M1172-F1174 HydrophobicContact CB-CD2 4.02Å; M1172-F1174 HydrophobicContact CB-CE2 4.2Å; M1172-F1174 HydrophobicContact CE-CE2 4.48Å; M1172-F1373 HydrophobicContact CE-CD1 4.26Å; M1172-F1373 HydrophobicContact SD-CD1 3.55Å; M1172-F1373 VanDerWaalsContact SD-CD1 3.55Å; M1172-F1373 HydrophobicContact SD-CE1 3.99Å; M1172-Y1381 HydrophobicContact CE-CD1 3.65Å; M1172-Y1381 HydrophobicContact CE-CE1 4.03Å; M1172-P1399 HydrophobicContact CB-CG 4.42Å; M1172-P1399 HydrophobicContact SD-CG 4.3Å; M1172-W1415 WeakPolarHBondContact O-CZ3 3.09Å
1173	G	86.9	Confident	90.4	Very high	36 Å²	36	30.6 Å²	30.6	37%	0.371	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	7	175.2	0	0	0	0	0	116.3	R1170 E1171	R1170-G1173 PolarHBondContact O-N 3.41Å; E1171-G1173 VanDerWaalsContact C-N 3.33Å
1174	F	89.4	Confident	90.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	16%	0.16	C	C	.	.			trans	-75.5	129.2	177.1	-69.4	-80.3	0	0	0	112.3	F1127 Y1128 V1129 I1169 M1172 F1204 A1372 P1399 W1415	F1127-F1174 HydrophobicContact CB-CD1 4.36Å; F1127-F1174 HydrophobicContact CB-CE1 3.99Å; F1127-F1174 HydrophobicContact CD2-CE1 4.4Å; Y1128-F1174 WeakPolarHBondContact O-CE1 3.4Å; V1129-F1174 HydrophobicContact CB-CD1 3.9Å; V1129-F1174 HydrophobicContact CB-CD2 3.87Å; V1129-F1174 HydrophobicContact CB-CE1 3.93Å; V1129-F1174 HydrophobicContact CB-CE2 3.88Å; V1129-F1174 HydrophobicContact CB-CG 3.86Å; V1129-F1174 HydrophobicContact CB-CZ 3.91Å; V1129-F1174 HydrophobicContact CG1-CB 3.67Å; V1129-F1174 HydrophobicContact CG1-CD1 3.94Å; V1129-F1174 HydrophobicContact CG1-CD2 3.75Å; V1129-F1174 HydrophobicContact CG1-CE1 4.46Å; V1129-F1174 HydrophobicContact CG1-CE2 4.29Å; V1129-F1174 HydrophobicContact CG1-CG 3.54Å; V1129-F1174 HydrophobicContact CG2-CD2 4.31Å; V1129-F1174 HydrophobicContact CG2-CE2 4.1Å; V1129-F1174 HydrophobicContact CG2-CZ 4.39Å; I1169-F1174 HydrophobicContact CG2-CB 3.9Å; I1169-F1174 HydrophobicContact CG2-CD2 4.31Å; M1172-F1174 HydrophobicContact CB-CD2 4.02Å; M1172-F1174 HydrophobicContact CB-CE2 4.2Å; M1172-F1174 HydrophobicContact CE-CE2 4.48Å; F1174-F1204 WeakPolarHBondContact O-CE1 3.35Å; F1174-A1372 HydrophobicContact CZ-CB 4.04Å; F1174-A1372 WeakPolarHBondContact CZ-O 3.32Å; F1174-P1399 HydrophobicContact CE2-CB 4.03Å; F1174-P1399 HydrophobicContact CE2-CG 3.42Å; F1174-P1399 VanDerWaalsContact CE2-CG 3.42Å; F1174-P1399 HydrophobicContact CZ-CB 3.88Å; F1174-P1399 HydrophobicContact CZ-CG 3.6Å; F1174-W1415 HydrophobicContact CD1-CE3 4.39Å; F1174-W1415 HydrophobicContact CD1-CZ3 4.47Å; F1174-W1415 HydrophobicContact CE1-CZ3 4.42Å; F1174-W1415 HydrophobicContact CZ-CZ3 4.45Å
1175	E	87.6	Confident	89.4	Confident	26 Å²	26	29.7 Å²	29.7	12%	0.121	16%	0.16	C	C	.	.			trans	-106.5	-4.4	170.4	-68.9	-78.7	172.4	0	0	112.3	S1205 S1206 W1415 K1416	E1175-S1205 PolarHBondContact O-N 3.33Å; E1175-S1205 VanDerWaalsContact O-N 3.07Å; E1175-S1205 PolarHBondContact OE2-N 2.88Å; E1175-S1205 PolarHBondContact OE2-OG 3.34Å; E1175-S1206 PolarHBondContact O-N 2.73Å; E1175-W1415 WeakPolarHBondContact CB-O 3.41Å; E1175-K1416 HydrophobicContact CB-CB 4.44Å; E1175-K1416 WeakPolarHBondContact CB-O 3.49Å
1176	H	89.8	Confident	88.8	Confident	10 Å²	10	34 Å²	34	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	109.4	-174.4	-174.5	-167.2	0	0	0	110.9	F1127 Y1128 V1129 Q1208 K1416	F1127-H1176 PolarHBondContact O-ND1 3.31Å; Y1128-H1176 WeakPolarHBondContact CA-O 3.4Å; V1129-H1176 PolarHBondContact N-O 3.24Å; V1129-H1176 VanDerWaalsContact N-O 3.16Å; H1176-Q1208 PolarHBondContact CE1-NE2 2.94Å; H1176-Q1208 PolarHBondContact NE2-NE2 3.16Å; H1176-K1416 HydrophobicContact CB-CD 4.45Å
1177	L	92.5	Very high	88.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.4	-170	-166.9	66.5	0	0	0	111.2	V1129 L1131 I1169 L1179 L1200 F1204 S1206 L1207 Q1208	V1129-L1177 HydrophobicContact CG1-CD1 3.84Å; L1131-L1177 HydrophobicContact CB-CD1 3.69Å; L1131-L1177 HydrophobicContact CB-CD2 4.34Å; L1131-L1177 HydrophobicContact CB-CG 4.16Å; L1131-L1177 HydrophobicContact CD2-CD2 4.02Å; I1169-L1177 HydrophobicContact CD1-CD1 3.76Å; I1169-L1177 HydrophobicContact CG2-CD1 4.3Å; L1177-L1179 HydrophobicContact CD2-CD2 3.53Å; L1177-L1179 HydrophobicContact CG-CD2 3.9Å; L1177-L1200 HydrophobicContact CD2-CD2 3.98Å; L1177-F1204 HydrophobicContact CB-CD1 4.35Å; L1177-F1204 HydrophobicContact CB-CG 4.23Å; L1177-F1204 HydrophobicContact CD2-CD2 3.69Å; L1177-F1204 HydrophobicContact CD2-CE2 3.66Å; L1177-F1204 HydrophobicContact CD2-CG 4.2Å; L1177-F1204 HydrophobicContact CD2-CZ 4.12Å; L1177-S1206 PolarHBondContact N-O 2.87Å; L1177-L1207 HydrophobicContact CB-CD2 3.94Å; L1177-L1207 HydrophobicContact CD2-CD2 4.04Å; L1177-Q1208 PolarHBondContact O-N 3.18Å
1178	L	93.6	Very high	88.3	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	106.8	170.8	177	68	0	0	0	109.6	Y1128 V1129 P1130 L1131 V1180 Q1208 E1210 M1231	Y1128-L1178 HydrophobicContact CD2-CB 4.03Å; Y1128-L1178 HydrophobicContact CD2-CD2 4.3Å; Y1128-L1178 HydrophobicContact CE2-CB 4.38Å; Y1128-L1178 HydrophobicContact CE2-CD2 3.82Å; V1129-L1178 PolarHBondContact O-N 3.2Å; P1130-L1178 CarbonylContact C-O 3.33Å; P1130-L1178 WeakPolarHBondContact CA-O 3.45Å; P1130-L1178 HydrophobicContact CB-CB 4.45Å; P1130-L1178 HydrophobicContact CB-CD2 4.45Å; L1131-L1178 PolarHBondContact N-O 3.39Å; L1178-V1180 HydrophobicContact CD2-CG2 4.49Å; L1178-V1180 HydrophobicContact CG-CG2 4.24Å; L1178-Q1208 CarbonylContact C-O 3.58Å; L1178-Q1208 WeakPolarHBondContact CA-O 3.17Å; L1178-Q1208 HydrophobicContact CD1-CB 3.67Å; L1178-E1210 HydrophobicContact CD1-CB 4.15Å; L1178-E1210 HydrophobicContact CD2-CB 4.42Å; L1178-E1210 HydrophobicContact CG-CB 4.39Å; L1178-M1231 HydrophobicContact CD1-CG 3.75Å
1179	L	93.8	Very high	88	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.4	179.1	-55.5	178.3	0	0	0	110.5	L1131 L1133 L1177 L1200 Q1208 M1209 E1210	L1131-L1179 HydrophobicContact CB-CD2 4.25Å; L1131-L1179 HydrophobicContact CD2-CD2 4.14Å; L1131-L1179 HydrophobicContact CG-CD2 4.47Å; L1131-L1179 CarbonylContact O-C 3.57Å; L1131-L1179 WeakPolarHBondContact O-CA 3.4Å; L1133-L1179 HydrophobicContact CD1-CB 4.13Å; L1133-L1179 HydrophobicContact CD1-CD1 4.33Å; L1133-L1179 HydrophobicContact CD1-CD2 4.23Å; L1133-L1179 HydrophobicContact CD1-CG 4.46Å; L1133-L1179 HydrophobicContact CD2-CD2 4.45Å; L1133-L1179 HydrophobicContact CG-CD2 4.49Å; L1177-L1179 HydrophobicContact CD2-CD2 3.53Å; L1177-L1179 HydrophobicContact CG-CD2 3.9Å; L1179-L1200 HydrophobicContact CD1-CD1 3.87Å; L1179-L1200 HydrophobicContact CD2-CD1 3.82Å; L1179-Q1208 PolarHBondContact N-O 3.03Å; L1179-M1209 HydrophobicContact CB-CB 4.18Å; L1179-M1209 CarbonylContact O-C 3.18Å; L1179-M1209 WeakPolarHBondContact O-CA 3.46Å; L1179-E1210 PolarHBondContact O-N 2.88Å
1180	V	92.4	Very high	88	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.1	-178.5	-170	0	0	0	0	109.9	P1130 L1131 Y1132 L1133 L1178 E1210	P1130-V1180 HydrophobicContact CB-CG2 3.97Å; L1131-V1180 PolarHBondContact O-N 3.19Å; Y1132-V1180 CarbonylContact C-O 3.43Å; Y1132-V1180 VanDerWaalsContact CA-O 3.23Å; Y1132-V1180 WeakPolarHBondContact CA-O 3.43Å; Y1132-V1180 HydrophobicContact CD1-CB 3.86Å; Y1132-V1180 HydrophobicContact CD1-CG1 3.76Å; Y1132-V1180 HydrophobicContact CD2-CB 4.14Å; Y1132-V1180 HydrophobicContact CD2-CG2 4.37Å; Y1132-V1180 HydrophobicContact CE1-CB 3.93Å; Y1132-V1180 HydrophobicContact CE1-CG1 3.46Å; Y1132-V1180 VanDerWaalsContact CE1-CG1 3.46Å; Y1132-V1180 HydrophobicContact CE2-CB 4.14Å; Y1132-V1180 HydrophobicContact CE2-CG1 4.42Å; Y1132-V1180 HydrophobicContact CE2-CG2 4.07Å; Y1132-V1180 HydrophobicContact CG-CB 3.99Å; Y1132-V1180 HydrophobicContact CG-CG1 4.4Å; L1133-V1180 PolarHBondContact N-O 2.62Å; L1178-V1180 HydrophobicContact CD2-CG2 4.49Å; L1178-V1180 HydrophobicContact CG-CG2 4.24Å; V1180-E1210 HydrophobicContact CG2-CB 4.24Å
1181	T	88.4	Confident	88.1	Confident	14 Å²	14	37.9 Å²	37.9	9%	0.086	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.2	178	76.5	0	0	0	0	112	L1133 S1134 V1188 F1193 V1211	L1133-T1181 HydrophobicContact CB-CG2 3.84Å; L1133-T1181 HydrophobicContact CD1-CG2 4.06Å; L1133-T1181 HydrophobicContact CG-CG2 4.3Å; S1134-T1181 CarbonylContact O-C 3.55Å; S1134-T1181 WeakPolarHBondContact O-CA 3.4Å; T1181-V1188 HydrophobicContact CG2-CG1 3.88Å; T1181-F1193 HydrophobicContact CG2-CE1 4.17Å; T1181-F1193 HydrophobicContact CG2-CZ 4.17Å; T1181-V1211 HydrophobicContact CG2-CG1 3.82Å; T1181-V1211 VanDerWaalsContact OG1-CG1 3.29Å; T1181-V1211 WeakPolarHBondContact OG1-CG1 3.31Å
1182	G	84.6	Confident	88.3	Confident	5 Å²	5	30.1 Å²	30.1	5%	0.052	17%	0.172	C	C	.	.			trans	-64.3	155.3	158.2	0	0	0	0	0	111.5	S1134 L1136 H1184 Q1212	S1134-G1182 PolarHBondContact O-N 3.08Å; L1136-G1182 CarbonylContact O-C 3.47Å; L1136-G1182 VanDerWaalsContact O-CA 3.26Å; L1136-G1182 WeakPolarHBondContact O-CA 2.75Å; G1182-H1184 PolarHBondContact O-N 2.82Å; G1182-Q1212 PolarHBondContact O-OE1 3.32Å
1183	E	84.9	Confident	88.5	Confident	10 Å²	10	29.4 Å²	29.4	5%	0.047	17%	0.168	C	C	.	.			trans	-88	95.4	-176.9	179.1	166.2	-175.9	0	0	111.5	C1137 A1138 N1139 Q1212 K1250	C1137-E1183 CarbonylContact C-O 3.58Å; C1137-E1183 PolarHBondContact SG-N 2.95Å; A1138-E1183 VanDerWaalsContact CB-O 3.28Å; A1138-E1183 WeakPolarHBondContact CB-O 3.48Å; A1138-E1183 PolarHBondContact N-O 2.98Å; N1139-E1183 VanDerWaalsContact ND2-CB 3.34Å; N1139-E1183 WeakPolarHBondContact ND2-CB 3.42Å; N1139-E1183 PolarHBondContact ND2-OE2 2.67Å; E1183-Q1212 HydrophobicContact CB-CB 3.84Å; E1183-Q1212 VanDerWaalsContact CD-CB 3.42Å; E1183-Q1212 HydrophobicContact CG-CB 3.44Å; E1183-Q1212 VanDerWaalsContact CG-CB 3.44Å; E1183-Q1212 HydrophobicContact CG-CG 4.27Å; E1183-K1250 VanDerWaalsContact OE1-CB 3.31Å; E1183-K1250 WeakPolarHBondContact OE1-CB 3.32Å
1184	H	85.4	Confident	88.8	Confident	50 Å²	50	32.5 Å²	32.5	23%	0.231	17%	0.169	C	C	.	.			trans	-141.6	84.8	175.7	-167.8	-63.2	0	0	0	112	L1136 G1182 A1186 K1187 V1188	L1136-H1184 HydrophobicContact CB-CB 4.45Å; L1136-H1184 HydrophobicContact CD2-CB 3.99Å; L1136-H1184 HydrophobicContact CG-CB 3.9Å; G1182-H1184 PolarHBondContact O-N 2.82Å; H1184-A1186 VanDerWaalsContact C-N 3.28Å; H1184-A1186 PolarHBondContact O-N 3.14Å; H1184-K1187 PolarHBondContact ND1-N 2.88Å; H1184-K1187 PolarHBondContact O-N 3.15Å; H1184-V1188 PolarHBondContact O-N 3.15Å
1185	Q	78.2	Confident	88.9	Confident	82 Å²	82	39.6 Å²	39.6	38%	0.383	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-38.3	-170.2	-66.3	-164.6	-31.9	0	0	115.5	K1187 G1189	Q1185-K1187 VanDerWaalsContact C-N 3.28Å; Q1185-K1187 PolarHBondContact O-N 3.05Å; Q1185-G1189 WeakPolarHBondContact O-CA 3.47Å; Q1185-G1189 PolarHBondContact O-N 3.48Å; Q1185-G1189 VanDerWaalsContact O-N 3.13Å
1186	A	81.6	Confident	89.1	Confident	92 Å²	92	38.8 Å²	38.8	76%	0.76	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.9	-178.6	0	0	0	0	0	114.7	H1184	H1184-A1186 VanDerWaalsContact C-N 3.28Å; H1184-A1186 PolarHBondContact O-N 3.14Å
1187	K	85.5	Confident	89.2	Confident	138 Å²	138	38.4 Å²	38.4	60%	0.6	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-35.2	-176.2	-70	-67.4	-173.9	-179.1	0	112.3	L1136 H1184 Q1185	L1136-K1187 HydrophobicContact CD2-CB 3.72Å; L1136-K1187 HydrophobicContact CD2-CG 3.77Å; H1184-K1187 PolarHBondContact ND1-N 2.88Å; H1184-K1187 PolarHBondContact O-N 3.15Å; Q1185-K1187 VanDerWaalsContact C-N 3.28Å; Q1185-K1187 PolarHBondContact O-N 3.05Å
1188	V	86.2	Confident	89.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-132.9	49.9	-178.8	-160.9	0	0	0	0	108.8	S1134 T1156 T1181 H1184 Y1192 F1193 Q1212	S1134-V1188 WeakPolarHBondContact OG-CG2 3.31Å; T1156-V1188 HydrophobicContact CG2-CG2 3.79Å; T1181-V1188 HydrophobicContact CG2-CG1 3.88Å; H1184-V1188 PolarHBondContact O-N 3.15Å; V1188-Y1192 HydrophobicContact CG1-CD1 3.75Å; V1188-Y1192 HydrophobicContact CG1-CE1 4.07Å; V1188-Y1192 HydrophobicContact CG1-CG 4.24Å; V1188-F1193 HydrophobicContact CG1-CZ 4.33Å; V1188-Q1212 PolarHBondContact O-NE2 3.3Å
1189	G	87.5	Confident	89.1	Confident	7 Å²	7	42.1 Å²	42.1	7%	0.072	22%	0.217	C	C	.	.	S	Bend	trans	-100.2	-160.7	170.9	0	0	0	0	0	111.6	Q1185 D1191 Y1192 F1193	Q1185-G1189 WeakPolarHBondContact O-CA 3.47Å; Q1185-G1189 PolarHBondContact O-N 3.48Å; Q1185-G1189 VanDerWaalsContact O-N 3.13Å; G1189-D1191 VanDerWaalsContact C-N 3.28Å; G1189-D1191 PolarHBondContact O-N 3.26Å; G1189-Y1192 WeakPolarHBondContact O-CB 3.15Å; G1189-Y1192 PolarHBondContact O-N 2.88Å; G1189-F1193 WeakPolarHBondContact O-CD2 3.25Å; G1189-F1193 PolarHBondContact O-N 2.9Å
1190	M	91.5	Very high	89	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.044	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-34	-177.2	-76.2	-58.1	-68.3	0	0	114.6	Y1192 F1193 R1194 L1214 E1218 E1221 L1222	M1190-Y1192 PolarHBondContact O-N 2.91Å; M1190-F1193 PolarHBondContact O-N 3.42Å; M1190-F1193 HydrophobicContact SD-CD2 4.27Å; M1190-R1194 WeakPolarHBondContact O-CB 3.27Å; M1190-R1194 VanDerWaalsContact O-CG 3.28Å; M1190-R1194 WeakPolarHBondContact O-CG 3.4Å; M1190-R1194 PolarHBondContact O-N 3Å; M1190-L1214 HydrophobicContact SD-CD1 4.16Å; M1190-E1218 HydrophobicContact CE-CB 4.31Å; M1190-E1218 WeakPolarHBondContact CE-O 3.26Å; M1190-E1218 HydrophobicContact CG-CB 3.79Å; M1190-E1218 HydrophobicContact CG-CG 3.69Å; M1190-E1218 VanDerWaalsContact CG-OE1 3.24Å; M1190-E1218 WeakPolarHBondContact CG-OE1 3.48Å; M1190-E1218 HydrophobicContact SD-CB 3.81Å; M1190-E1218 HydrophobicContact SD-CG 4.4Å; M1190-E1221 HydrophobicContact CE-CB 3.81Å; M1190-E1221 HydrophobicContact CE-CG 3.73Å; M1190-E1221 WeakPolarHBondContact CE-OE2 3.41Å; M1190-L1222 HydrophobicContact CE-CD2 4.03Å; M1190-L1222 HydrophobicContact CE-CG 3.88Å; M1190-L1222 HydrophobicContact SD-CD1 4.02Å; M1190-L1222 HydrophobicContact SD-CD2 3.89Å; M1190-L1222 HydrophobicContact SD-CG 3.77Å
1191	D	91.8	Very high	88.8	Confident	111 Å²	111	45.7 Å²	45.7	59%	0.594	23%	0.231	S	C	*	.	H	α-helix	trans	-61.9	-31.4	176.1	-70.6	-19.8	0	0	0	113.3	G1189 R1194	G1189-D1191 VanDerWaalsContact C-N 3.28Å; G1189-D1191 PolarHBondContact O-N 3.26Å; D1191-R1194 IonicContact OD1-CZ 3.5Å; D1191-R1194 IonicContact OD1-NH1 2.68Å; D1191-R1194 PolarHBondContact OD1-NH1 3.01Å
1192	Y	93.1	Very high	88.8	Confident	13 Å²	13	51 Å²	51	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-73.1	-45.6	175.1	-176.6	-95.1	0	0	0	110.4	L1133 T1156 L1157 I1162 V1188 G1189 M1190 R1195 H1196	L1133-Y1192 HydrophobicContact CB-CE1 4.03Å; L1133-Y1192 HydrophobicContact CD1-CE1 4.08Å; T1156-Y1192 HydrophobicContact CG2-CD2 4.31Å; T1156-Y1192 HydrophobicContact CG2-CE2 3.68Å; L1157-Y1192 VanDerWaalsContact O-CE2 3.24Å; L1157-Y1192 WeakPolarHBondContact O-CE2 3.35Å; L1157-Y1192 VanDerWaalsContact O-CZ 3.32Å; L1157-Y1192 PolarHBondContact O-OH 3.19Å; I1162-Y1192 WeakPolarHBondContact CD1-OH 3.26Å; V1188-Y1192 HydrophobicContact CG1-CD1 3.75Å; V1188-Y1192 HydrophobicContact CG1-CE1 4.07Å; V1188-Y1192 HydrophobicContact CG1-CG 4.24Å; G1189-Y1192 WeakPolarHBondContact O-CB 3.15Å; G1189-Y1192 PolarHBondContact O-N 2.88Å; M1190-Y1192 PolarHBondContact O-N 2.91Å; Y1192-R1195 PolarHBondContact O-N 3.48Å; Y1192-H1196 AromaticContact CD2-CD2 3.56Å; Y1192-H1196 AromaticContact CD2-NE2 3.77Å; Y1192-H1196 AromaticContact CE1-CD2 3.94Å; Y1192-H1196 AromaticContact CE2-CD2 3.42Å; Y1192-H1196 VanDerWaalsContact CE2-CD2 3.42Å; Y1192-H1196 WeakPolarHBondContact CE2-CD2 3.3Å; Y1192-H1196 AromaticContact CE2-NE2 3.57Å; Y1192-H1196 AromaticContact CG-CD2 3.88Å; Y1192-H1196 AromaticContact CZ-CD2 3.64Å; Y1192-H1196 PolarHBondContact O-CD2 2.98Å; Y1192-H1196 PolarHBondContact O-N 3.1Å
1193	F	93.1	Very high	88.9	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-40.1	179	-61.3	-55	0	0	0	113.1	L1133 T1181 V1188 G1189 M1190 R1195 H1196 L1197 M1209 V1211 L1222	L1133-F1193 HydrophobicContact CD1-CE1 4.31Å; T1181-F1193 HydrophobicContact CG2-CE1 4.17Å; T1181-F1193 HydrophobicContact CG2-CZ 4.17Å; V1188-F1193 HydrophobicContact CG1-CZ 4.33Å; G1189-F1193 WeakPolarHBondContact O-CD2 3.25Å; G1189-F1193 PolarHBondContact O-N 2.9Å; M1190-F1193 PolarHBondContact O-N 3.42Å; M1190-F1193 HydrophobicContact SD-CD2 4.27Å; F1193-R1195 PolarHBondContact O-N 2.84Å; F1193-H1196 PolarHBondContact O-N 3.17Å; F1193-L1197 WeakPolarHBondContact O-CB 3.44Å; F1193-L1197 PolarHBondContact O-N 3.23Å; F1193-M1209 HydrophobicContact CD1-CE 4.31Å; F1193-M1209 HydrophobicContact CE1-CE 4.03Å; F1193-M1209 HydrophobicContact CE2-CE 4.37Å; F1193-M1209 HydrophobicContact CZ-CE 4.07Å; F1193-V1211 HydrophobicContact CZ-CG1 4.32Å; F1193-L1222 HydrophobicContact CB-CD2 3.53Å; F1193-L1222 HydrophobicContact CD2-CD2 4.17Å; F1193-L1222 HydrophobicContact CG-CD2 3.95Å
1194	R	93.1	Very high	89.1	Confident	101 Å²	101	53 Å²	53	38%	0.381	26%	0.263	S	S	.	.	H	α-helix	trans	-54.1	-37.9	172.9	-75.6	172.1	-170.5	129	7.1	112.6	M1190 D1191 E1221 L1225	M1190-R1194 WeakPolarHBondContact O-CB 3.27Å; M1190-R1194 VanDerWaalsContact O-CG 3.28Å; M1190-R1194 WeakPolarHBondContact O-CG 3.4Å; M1190-R1194 PolarHBondContact O-N 3Å; D1191-R1194 IonicContact OD1-CZ 3.5Å; D1191-R1194 IonicContact OD1-NH1 2.68Å; D1191-R1194 PolarHBondContact OD1-NH1 3.01Å; R1194-E1221 WeakPolarHBondContact CD-OE1 3.29Å; R1194-E1221 WeakPolarHBondContact CG-OE1 3Å; R1194-E1221 IonicContact CZ-OE1 3.09Å; R1194-E1221 IonicContact CZ-OE2 3.93Å; R1194-E1221 IonicContact NE-OE1 3.37Å; R1194-E1221 PolarHBondContact NE-OE1 3.29Å; R1194-E1221 IonicContact NE-OE2 3.53Å; R1194-E1221 PolarHBondContact NE-OE2 2.78Å; R1194-E1221 IonicContact NH2-OE1 3.72Å; R1194-E1221 PolarHBondContact NH2-OE1 3.44Å; R1194-E1221 IonicContact NH2-OE2 2.73Å; R1194-E1221 PolarHBondContact NH2-OE2 3.2Å; R1194-L1225 HydrophobicContact CG-CD1 4.13Å
1195	R	92.6	Very high	89	Confident	150 Å²	150	51.6 Å²	51.6	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-76.1	-37.4	-178.9	-168.2	-179.7	-59.3	120.9	4.8	112.7	Y1192 F1193	Y1192-R1195 PolarHBondContact O-N 3.48Å; F1193-R1195 PolarHBondContact O-N 2.84Å
1196	H	92.5	Very high	89.5	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.046	24%	0.24	C	C	.	.	H	α-helix	trans	-111.9	-27.4	-164.7	-61.8	-55.1	0	0	0	115	I1162 Y1192 F1193 A1199 L1200	I1162-H1196 HydrophobicContact CD1-CB 3.78Å; Y1192-H1196 AromaticContact CD2-CD2 3.56Å; Y1192-H1196 AromaticContact CD2-NE2 3.77Å; Y1192-H1196 AromaticContact CE1-CD2 3.94Å; Y1192-H1196 AromaticContact CE2-CD2 3.42Å; Y1192-H1196 VanDerWaalsContact CE2-CD2 3.42Å; Y1192-H1196 WeakPolarHBondContact CE2-CD2 3.3Å; Y1192-H1196 AromaticContact CE2-NE2 3.57Å; Y1192-H1196 AromaticContact CG-CD2 3.88Å; Y1192-H1196 AromaticContact CZ-CD2 3.64Å; Y1192-H1196 PolarHBondContact O-CD2 2.98Å; Y1192-H1196 PolarHBondContact O-N 3.1Å; F1193-H1196 PolarHBondContact O-N 3.17Å; H1196-A1199 PolarHBondContact O-N 2.96Å; H1196-L1200 PolarHBondContact O-N 3.26Å; H1196-L1200 VanDerWaalsContact O-N 3.16Å
1197	L	91.9	Very high	90	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-41.2	-176.2	-158.6	148.9	0	0	0	113	F1193 A1199 L1200 R1201 L1207 L1222 L1225 L1227	F1193-L1197 WeakPolarHBondContact O-CB 3.44Å; F1193-L1197 PolarHBondContact O-N 3.23Å; L1197-A1199 PolarHBondContact O-N 3.31Å; L1197-L1200 PolarHBondContact O-N 3.02Å; L1197-R1201 PolarHBondContact O-N 3.4Å; L1197-L1207 HydrophobicContact CD2-CD1 3.97Å; L1197-L1207 HydrophobicContact CG-CD1 4.19Å; L1197-L1222 HydrophobicContact CD1-CD2 3.76Å; L1197-L1225 HydrophobicContact CD2-CB 3.81Å; L1197-L1225 VanDerWaalsContact CD2-O 3.23Å; L1197-L1225 WeakPolarHBondContact CD2-O 3.4Å; L1197-L1227 HydrophobicContact CD1-CB 4.29Å; L1197-L1227 HydrophobicContact CD1-CD1 4.4Å; L1197-L1227 HydrophobicContact CD2-CB 4.39Å
1198	P	91.2	Very high	90.4	Very high	45 Å²	45	37.2 Å²	37.2	29%	0.292	18%	0.177	S	C	.	.	H	α-helix	trans	-57.7	-43.2	174.2	-27.9	37.4	0	0	0	113.6	L1200 R1201 E1202 L1225	P1198-L1200 VanDerWaalsContact C-N 3.33Å; P1198-L1200 PolarHBondContact O-N 3.15Å; P1198-R1201 WeakPolarHBondContact O-CB 3.13Å; P1198-R1201 PolarHBondContact O-N 3.36Å; P1198-R1201 VanDerWaalsContact O-N 3.1Å; P1198-E1202 PolarHBondContact O-N 2.9Å; P1198-E1202 VanDerWaalsContact O-N 3.07Å; P1198-L1225 HydrophobicContact CG-CB 4.45Å; P1198-L1225 HydrophobicContact CG-CD2 3.76Å
1199	A	90.8	Very high	90.7	Very high	37 Å²	37	37.2 Å²	37.2	31%	0.306	18%	0.177	S	C	.	.	H	α-helix	trans	-67.7	-31.8	179.1	0	0	0	0	0	112.9	H1196 L1197 Q1203	H1196-A1199 PolarHBondContact O-N 2.96Å; L1197-A1199 PolarHBondContact O-N 3.31Å; A1199-Q1203 WeakPolarHBondContact O-CG 3.47Å; A1199-Q1203 PolarHBondContact O-NE2 3.31Å
1200	L	92.2	Very high	90.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-70	-38.4	170.4	-74.2	166	0	0	0	111	L1131 I1162 S1166 L1177 L1179 H1196 L1197 P1198 E1202 Q1203 F1204 L1207	L1131-L1200 HydrophobicContact CD2-CD2 4.34Å; I1162-L1200 HydrophobicContact CG2-CD1 4.41Å; I1162-L1200 HydrophobicContact CG2-CD2 3.76Å; I1162-L1200 HydrophobicContact CG2-CG 4.07Å; S1166-L1200 WeakPolarHBondContact OG-CD2 3.04Å; L1177-L1200 HydrophobicContact CD2-CD2 3.98Å; L1179-L1200 HydrophobicContact CD1-CD1 3.87Å; L1179-L1200 HydrophobicContact CD2-CD1 3.82Å; H1196-L1200 PolarHBondContact O-N 3.26Å; H1196-L1200 VanDerWaalsContact O-N 3.16Å; L1197-L1200 PolarHBondContact O-N 3.02Å; P1198-L1200 VanDerWaalsContact C-N 3.33Å; P1198-L1200 PolarHBondContact O-N 3.15Å; L1200-E1202 VanDerWaalsContact C-N 3.3Å; L1200-E1202 PolarHBondContact O-N 2.67Å; L1200-Q1203 PolarHBondContact O-N 3.22Å; L1200-F1204 HydrophobicContact CD2-CD2 4.24Å; L1200-F1204 HydrophobicContact CD2-CE2 3.99Å; L1200-F1204 WeakPolarHBondContact O-CD2 3.39Å; L1200-F1204 PolarHBondContact O-N 3.29Å; L1200-L1207 HydrophobicContact CB-CD1 3.95Å; L1200-L1207 HydrophobicContact CB-CD2 4.19Å
1201	R	89.4	Confident	89.8	Confident	80 Å²	80	39 Å²	39	30%	0.302	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-35.6	-178.4	178.9	56.8	177.9	156.2	-13.6	111.9	L1197 P1198 Q1203 F1204 S1205 L1207 G1226 D1228	L1197-R1201 PolarHBondContact O-N 3.4Å; P1198-R1201 WeakPolarHBondContact O-CB 3.13Å; P1198-R1201 PolarHBondContact O-N 3.36Å; P1198-R1201 VanDerWaalsContact O-N 3.1Å; R1201-Q1203 PolarHBondContact O-N 3.47Å; R1201-F1204 PolarHBondContact NH1-O 3.21Å; R1201-F1204 VanDerWaalsContact NH1-O 3.13Å; R1201-F1204 VanDerWaalsContact O-O 3.14Å; R1201-S1205 PolarHBondContact NH1-O 2.71Å; R1201-L1207 HydrophobicContact CB-CD1 3.81Å; R1201-G1226 WeakPolarHBondContact CD-O 3.44Å; R1201-D1228 IonicContact NH2-OD1 3.34Å
1202	E	86.9	Confident	89	Confident	125 Å²	125	33.8 Å²	33.8	58%	0.584	16%	0.157	S	C	*	.	H	α-helix	trans	-64.2	-26.1	174	-71.9	176	178.6	0	0	112.9	P1198 L1200	P1198-E1202 PolarHBondContact O-N 2.9Å; P1198-E1202 VanDerWaalsContact O-N 3.07Å; L1200-E1202 VanDerWaalsContact C-N 3.3Å; L1200-E1202 PolarHBondContact O-N 2.67Å
1203	Q	87.3	Confident	88.5	Confident	56 Å²	56	33.3 Å²	33.3	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-98.5	-23.4	-174.5	-71.7	-180	72.8	0	0	114.3	S1166 R1170 A1199 L1200 R1201	S1166-Q1203 VanDerWaalsContact CB-OE1 3.28Å; R1170-Q1203 PolarHBondContact NE-O 3.03Å; A1199-Q1203 WeakPolarHBondContact O-CG 3.47Å; A1199-Q1203 PolarHBondContact O-NE2 3.31Å; L1200-Q1203 PolarHBondContact O-N 3.22Å; R1201-Q1203 PolarHBondContact O-N 3.47Å
1204	F	88.9	Confident	88.4	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.009	15%	0.154	C	C	.	.			trans	-128.2	132.3	-174.7	-63.2	-79.5	0	0	0	112.1	I1169 R1170 F1174 L1177 L1200 R1201 S1206 L1207	I1169-F1204 HydrophobicContact CB-CE1 4.44Å; I1169-F1204 HydrophobicContact CB-CZ 4.25Å; I1169-F1204 HydrophobicContact CG2-CE1 3.79Å; I1169-F1204 HydrophobicContact CG2-CZ 4.05Å; R1170-F1204 HydrophobicContact CG-CD1 4.29Å; R1170-F1204 HydrophobicContact CG-CE1 3.5Å; R1170-F1204 VanDerWaalsContact CG-CE1 3.5Å; R1170-F1204 HydrophobicContact CG-CZ 3.7Å; F1174-F1204 WeakPolarHBondContact O-CE1 3.35Å; L1177-F1204 HydrophobicContact CB-CD1 4.35Å; L1177-F1204 HydrophobicContact CB-CG 4.23Å; L1177-F1204 HydrophobicContact CD2-CD2 3.69Å; L1177-F1204 HydrophobicContact CD2-CE2 3.66Å; L1177-F1204 HydrophobicContact CD2-CG 4.2Å; L1177-F1204 HydrophobicContact CD2-CZ 4.12Å; L1200-F1204 HydrophobicContact CD2-CD2 4.24Å; L1200-F1204 HydrophobicContact CD2-CE2 3.99Å; L1200-F1204 WeakPolarHBondContact O-CD2 3.39Å; L1200-F1204 PolarHBondContact O-N 3.29Å; R1201-F1204 PolarHBondContact NH1-O 3.21Å; R1201-F1204 VanDerWaalsContact NH1-O 3.13Å; R1201-F1204 VanDerWaalsContact O-O 3.14Å; F1204-S1206 PolarHBondContact O-N 3.29Å; F1204-L1207 HydrophobicContact CB-CD2 3.85Å; F1204-L1207 HydrophobicContact CD2-CD2 4.36Å; F1204-L1207 HydrophobicContact CG-CD2 4.42Å
1205	S	83.5	Confident	88.3	Confident	19 Å²	19	30.1 Å²	30.1	13%	0.133	15%	0.151	C	C	.	.	S	Bend	trans	-68.7	-18.4	-179.6	-53.8	0	0	0	0	113.1	E1175 R1201	E1175-S1205 PolarHBondContact O-N 3.33Å; E1175-S1205 VanDerWaalsContact O-N 3.07Å; E1175-S1205 PolarHBondContact OE2-N 2.88Å; E1175-S1205 PolarHBondContact OE2-OG 3.34Å; R1201-S1205 PolarHBondContact NH1-O 2.71Å
1206	S	88.3	Confident	88.3	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.014	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132.8	171	-153.5	0	0	0	0	114.5	E1175 L1177 F1204 D1228 K1416	E1175-S1206 PolarHBondContact O-N 2.73Å; L1177-S1206 PolarHBondContact N-O 2.87Å; F1204-S1206 PolarHBondContact O-N 3.29Å; S1206-D1228 WeakPolarHBondContact CA-OD2 3.25Å; S1206-D1228 WeakPolarHBondContact CB-OD2 3.23Å; S1206-D1228 PolarHBondContact OG-OD2 2.71Å; S1206-K1416 PolarHBondContact OG-NZ 2.89Å
1207	L	92.1	Very high	88.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.3	177	-63.2	-174.4	0	0	0	110.4	L1177 L1197 L1200 R1201 F1204 L1227 D1228 G1229	L1177-L1207 HydrophobicContact CB-CD2 3.94Å; L1177-L1207 HydrophobicContact CD2-CD2 4.04Å; L1197-L1207 HydrophobicContact CD2-CD1 3.97Å; L1197-L1207 HydrophobicContact CG-CD1 4.19Å; L1200-L1207 HydrophobicContact CB-CD1 3.95Å; L1200-L1207 HydrophobicContact CB-CD2 4.19Å; R1201-L1207 HydrophobicContact CB-CD1 3.81Å; F1204-L1207 HydrophobicContact CB-CD2 3.85Å; F1204-L1207 HydrophobicContact CD2-CD2 4.36Å; F1204-L1207 HydrophobicContact CG-CD2 4.42Å; L1207-L1227 HydrophobicContact CB-CD1 4.42Å; L1207-D1228 PolarHBondContact N-OD2 2.89Å; L1207-D1228 WeakPolarHBondContact O-CB 3.23Å; L1207-D1228 PolarHBondContact O-N 3.05Å; L1207-G1229 PolarHBondContact O-N 2.91Å
1208	Q	93.6	Very high	88.4	Confident	9 Å²	9	32.1 Å²	32.1	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	165	167.3	-66.7	176	12.5	0	0	109.6	H1176 L1177 L1178 L1179 G1229	H1176-Q1208 PolarHBondContact CE1-NE2 2.94Å; H1176-Q1208 PolarHBondContact NE2-NE2 3.16Å; L1177-Q1208 PolarHBondContact O-N 3.18Å; L1178-Q1208 CarbonylContact C-O 3.58Å; L1178-Q1208 WeakPolarHBondContact CA-O 3.17Å; L1178-Q1208 HydrophobicContact CD1-CB 3.67Å; L1179-Q1208 PolarHBondContact N-O 3.03Å; Q1208-G1229 CarbonylContact C-O 3.58Å; Q1208-G1229 WeakPolarHBondContact CA-O 3.36Å
1209	M	93.1	Very high	88.6	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.8	171.6	62.8	174.2	11.7	0	0	112.8	L1179 F1193 V1211 L1222 L1227 G1229 V1230 M1231	L1179-M1209 HydrophobicContact CB-CB 4.18Å; L1179-M1209 CarbonylContact O-C 3.18Å; L1179-M1209 WeakPolarHBondContact O-CA 3.46Å; F1193-M1209 HydrophobicContact CD1-CE 4.31Å; F1193-M1209 HydrophobicContact CE1-CE 4.03Å; F1193-M1209 HydrophobicContact CE2-CE 4.37Å; F1193-M1209 HydrophobicContact CZ-CE 4.07Å; M1209-V1211 HydrophobicContact CB-CG1 4.17Å; M1209-V1211 HydrophobicContact CB-CG2 4.09Å; M1209-V1211 HydrophobicContact CE-CG1 4.3Å; M1209-V1211 HydrophobicContact CE-CG2 3.5Å; M1209-V1211 VanDerWaalsContact CE-CG2 3.5Å; M1209-V1211 HydrophobicContact CG-CG2 3.85Å; M1209-V1211 HydrophobicContact SD-CG2 3.32Å; M1209-V1211 WeakPolarHBondContact SD-CG2 3.31Å; M1209-L1222 HydrophobicContact CE-CD1 3.95Å; M1209-L1222 HydrophobicContact CE-CD2 4.42Å; M1209-L1222 HydrophobicContact SD-CD1 3.74Å; M1209-L1227 HydrophobicContact CB-CD1 4.06Å; M1209-L1227 HydrophobicContact CE-CD2 4.28Å; M1209-L1227 HydrophobicContact CG-CD1 3.79Å; M1209-L1227 HydrophobicContact CG-CD2 3.74Å; M1209-L1227 HydrophobicContact CG-CG 4.36Å; M1209-L1227 HydrophobicContact SD-CD1 4.25Å; M1209-L1227 HydrophobicContact SD-CD2 3.39Å; M1209-L1227 WeakPolarHBondContact SD-CD2 3.48Å; M1209-L1227 HydrophobicContact SD-CG 4.47Å; M1209-G1229 PolarHBondContact N-O 2.93Å; M1209-V1230 HydrophobicContact CG-CB 4.27Å; M1209-V1230 HydrophobicContact CG-CG1 4.11Å; M1209-V1230 HydrophobicContact CG-CG2 3.68Å; M1209-V1230 CarbonylContact O-C 3.58Å; M1209-V1230 VanDerWaalsContact O-CA 3.3Å; M1209-V1230 WeakPolarHBondContact O-CA 3.12Å; M1209-V1230 HydrophobicContact SD-CG2 4.06Å; M1209-M1231 PolarHBondContact O-N 2.99Å
1210	E	89.7	Confident	88.7	Confident	40 Å²	40	29.9 Å²	29.9	19%	0.187	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	84.4	167.1	-173.2	-169.4	156.1	0	0	106.8	L1178 L1179 V1180 M1231	L1178-E1210 HydrophobicContact CD1-CB 4.15Å; L1178-E1210 HydrophobicContact CD2-CB 4.42Å; L1178-E1210 HydrophobicContact CG-CB 4.39Å; L1179-E1210 PolarHBondContact O-N 2.88Å; V1180-E1210 HydrophobicContact CG2-CB 4.24Å; E1210-M1231 HydrophobicContact CB-CB 4.22Å; E1210-M1231 HydrophobicContact CG-CB 4.35Å
1211	V	71.5	Confident	88.8	Confident	12 Å²	12	32.3 Å²	32.3	7%	0.073	18%	0.176	C	C	.	.			trans	-137.9	178.1	-173.8	-59.5	0	0	0	0	111.8	T1181 F1193 M1209	T1181-V1211 HydrophobicContact CG2-CG1 3.82Å; T1181-V1211 VanDerWaalsContact OG1-CG1 3.29Å; T1181-V1211 WeakPolarHBondContact OG1-CG1 3.31Å; F1193-V1211 HydrophobicContact CZ-CG1 4.32Å; M1209-V1211 HydrophobicContact CB-CG1 4.17Å; M1209-V1211 HydrophobicContact CB-CG2 4.09Å; M1209-V1211 HydrophobicContact CE-CG1 4.3Å; M1209-V1211 HydrophobicContact CE-CG2 3.5Å; M1209-V1211 VanDerWaalsContact CE-CG2 3.5Å; M1209-V1211 HydrophobicContact CG-CG2 3.85Å; M1209-V1211 HydrophobicContact SD-CG2 3.32Å; M1209-V1211 WeakPolarHBondContact SD-CG2 3.31Å
1212	Q	73.4	Confident	89	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.014	16%	0.161	C	C	.	.			trans	-47.4	148.3	-177.8	62.5	-121.3	22.8	0	0	114.8	G1182 E1183 V1188 L1214 Y1219	G1182-Q1212 PolarHBondContact O-OE1 3.32Å; E1183-Q1212 HydrophobicContact CB-CB 3.84Å; E1183-Q1212 VanDerWaalsContact CD-CB 3.42Å; E1183-Q1212 HydrophobicContact CG-CB 3.44Å; E1183-Q1212 VanDerWaalsContact CG-CB 3.44Å; E1183-Q1212 HydrophobicContact CG-CG 4.27Å; V1188-Q1212 PolarHBondContact O-NE2 3.3Å; Q1212-L1214 HydrophobicContact CG-CD2 3.64Å; Q1212-L1214 HydrophobicContact CG-CG 4.04Å; Q1212-L1214 PolarHBondContact O-N 3.11Å; Q1212-Y1219 PolarHBondContact O-OH 3.47Å
1213	P	83.3	Confident	89.2	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.013	15%	0.149	C	C	.	.			trans	-55.8	107.3	163	-28.3	39.1	0	0	0	111.4	W1256 R1257 T1260	P1213-W1256 PolarHBondContact O-NE1 3.37Å; P1213-R1257 HydrophobicContact CG-CB 4.26Å; P1213-R1257 HydrophobicContact CG-CG 4.01Å; P1213-T1260 HydrophobicContact CB-CG2 4.3Å; P1213-T1260 WeakPolarHBondContact CB-OG1 3.27Å
1214	L	90.1	Very high	89.5	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.174	C	C	.	.			trans	-96.7	166.8	174.3	-63.4	174	0	0	0	110.9	M1190 Q1212 E1218 Y1219 L1222 R1263	M1190-L1214 HydrophobicContact SD-CD1 4.16Å; Q1212-L1214 HydrophobicContact CG-CD2 3.64Å; Q1212-L1214 HydrophobicContact CG-CG 4.04Å; Q1212-L1214 PolarHBondContact O-N 3.11Å; L1214-E1218 HydrophobicContact CB-CB 3.99Å; L1214-E1218 WeakPolarHBondContact CB-OE2 3.43Å; L1214-E1218 HydrophobicContact CD1-CB 4.36Å; L1214-Y1219 HydrophobicContact CB-CD1 4.31Å; L1214-Y1219 HydrophobicContact CB-CD2 4.19Å; L1214-Y1219 HydrophobicContact CB-CE1 3.91Å; L1214-Y1219 HydrophobicContact CB-CE2 3.8Å; L1214-Y1219 HydrophobicContact CB-CG 4.43Å; L1214-Y1219 HydrophobicContact CD1-CD1 4.28Å; L1214-Y1219 HydrophobicContact CD1-CE1 3.95Å; L1214-Y1219 HydrophobicContact CG-CE1 4.19Å; L1214-Y1219 PolarHBondContact N-OH 2.89Å; L1214-Y1219 VanDerWaalsContact O-CE2 3.28Å; L1214-Y1219 WeakPolarHBondContact O-CE2 3.17Å; L1214-L1222 HydrophobicContact CD1-CD1 3.49Å; L1214-L1222 VanDerWaalsContact CD1-CD1 3.49Å; L1214-R1263 PolarHBondContact O-NE 3.33Å
1215	A	92	Very high	89.6	Confident	36 Å²	36	33.4 Å²	33.4	30%	0.298	18%	0.184	S	C	.	.			trans	-70	156.6	169.4	0	0	0	0	0	110.9	A1217 E1218 Y1219	A1215-A1217 VanDerWaalsContact C-N 3.35Å; A1215-A1217 PolarHBondContact O-N 3.5Å; A1215-E1218 HydrophobicContact CB-CG 4.19Å; A1215-E1218 PolarHBondContact N-OE2 2.66Å; A1215-E1218 WeakPolarHBondContact O-CB 3.5Å; A1215-E1218 PolarHBondContact O-N 2.74Å; A1215-E1218 VanDerWaalsContact O-N 3.07Å; A1215-Y1219 PolarHBondContact O-N 3.01Å; A1215-Y1219 VanDerWaalsContact O-N 3.15Å
1216	E	92.4	Very high	89.9	Confident	76 Å²	76	33.1 Å²	33.1	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-56.7	-44.4	-178.7	-174.6	175.9	132.9	0	0	113.1	E1218 Y1219 A1220 R1263 R1266 A1267	E1216-E1218 VanDerWaalsContact C-N 3.26Å; E1216-E1218 PolarHBondContact O-N 3.47Å; E1216-Y1219 PolarHBondContact O-N 3.37Å; E1216-Y1219 VanDerWaalsContact O-N 3.16Å; E1216-A1220 PolarHBondContact O-N 2.93Å; E1216-R1263 HydrophobicContact CB-CB 4.43Å; E1216-R1266 HydrophobicContact CG-CB 4.17Å; E1216-R1266 IonicContact OE2-CZ 3.79Å; E1216-R1266 IonicContact OE2-NE 2.69Å; E1216-R1266 PolarHBondContact OE2-NE 3.05Å; E1216-R1266 IonicContact OE2-NH2 3.93Å; E1216-A1267 HydrophobicContact CG-CB 4.35Å
1217	A	93.9	Very high	90.1	Very high	77 Å²	77	33.1 Å²	33.1	64%	0.636	19%	0.185	S	C	*	.	H	α-helix	trans	-62.2	-32.6	177.2	0	0	0	0	0	113.1	A1215 E1221	A1215-A1217 VanDerWaalsContact C-N 3.35Å; A1215-A1217 PolarHBondContact O-N 3.5Å; A1217-E1221 PolarHBondContact O-N 3.04Å
1218	E	93.7	Very high	90	Very high	52 Å²	52	34.2 Å²	34.2	24%	0.243	19%	0.19	C	C	.	.	H	α-helix	trans	-71	-39.6	176.7	-62.2	-179.6	118	0	0	110.6	M1190 L1214 A1215 E1216 E1221 L1222	M1190-E1218 HydrophobicContact CE-CB 4.31Å; M1190-E1218 WeakPolarHBondContact CE-O 3.26Å; M1190-E1218 HydrophobicContact CG-CB 3.79Å; M1190-E1218 HydrophobicContact CG-CG 3.69Å; M1190-E1218 VanDerWaalsContact CG-OE1 3.24Å; M1190-E1218 WeakPolarHBondContact CG-OE1 3.48Å; M1190-E1218 HydrophobicContact SD-CB 3.81Å; M1190-E1218 HydrophobicContact SD-CG 4.4Å; L1214-E1218 HydrophobicContact CB-CB 3.99Å; L1214-E1218 WeakPolarHBondContact CB-OE2 3.43Å; L1214-E1218 HydrophobicContact CD1-CB 4.36Å; A1215-E1218 HydrophobicContact CB-CG 4.19Å; A1215-E1218 PolarHBondContact N-OE2 2.66Å; A1215-E1218 WeakPolarHBondContact O-CB 3.5Å; A1215-E1218 PolarHBondContact O-N 2.74Å; A1215-E1218 VanDerWaalsContact O-N 3.07Å; E1216-E1218 VanDerWaalsContact C-N 3.26Å; E1216-E1218 PolarHBondContact O-N 3.47Å; E1218-E1221 PolarHBondContact O-N 3.03Å; E1218-L1222 VanDerWaalsContact O-CG 3.3Å; E1218-L1222 WeakPolarHBondContact O-CG 3.43Å; E1218-L1222 PolarHBondContact O-N 3.28Å
1219	Y	94.5	Very high	90	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-39.5	173.1	-72.1	-54.5	0	0	0	112.8	Q1212 L1214 A1215 E1216 E1221 L1222 K1223 V1230 T1260 R1263 L1264	Q1212-Y1219 PolarHBondContact O-OH 3.47Å; L1214-Y1219 HydrophobicContact CB-CD1 4.31Å; L1214-Y1219 HydrophobicContact CB-CD2 4.19Å; L1214-Y1219 HydrophobicContact CB-CE1 3.91Å; L1214-Y1219 HydrophobicContact CB-CE2 3.8Å; L1214-Y1219 HydrophobicContact CB-CG 4.43Å; L1214-Y1219 HydrophobicContact CD1-CD1 4.28Å; L1214-Y1219 HydrophobicContact CD1-CE1 3.95Å; L1214-Y1219 HydrophobicContact CG-CE1 4.19Å; L1214-Y1219 PolarHBondContact N-OH 2.89Å; L1214-Y1219 VanDerWaalsContact O-CE2 3.28Å; L1214-Y1219 WeakPolarHBondContact O-CE2 3.17Å; A1215-Y1219 PolarHBondContact O-N 3.01Å; A1215-Y1219 VanDerWaalsContact O-N 3.15Å; E1216-Y1219 PolarHBondContact O-N 3.37Å; E1216-Y1219 VanDerWaalsContact O-N 3.16Å; Y1219-E1221 VanDerWaalsContact C-N 3.29Å; Y1219-E1221 PolarHBondContact O-N 3.1Å; Y1219-L1222 HydrophobicContact CD1-CD1 4.03Å; Y1219-L1222 PolarHBondContact O-N 3.48Å; Y1219-K1223 PolarHBondContact O-N 3.17Å; Y1219-V1230 HydrophobicContact CD1-CG2 4.36Å; Y1219-V1230 HydrophobicContact CE1-CG1 4.32Å; Y1219-V1230 HydrophobicContact CE1-CG2 4.27Å; Y1219-T1260 HydrophobicContact CE2-CG2 3.91Å; Y1219-T1260 VanDerWaalsContact OH-CG2 3.26Å; Y1219-T1260 WeakPolarHBondContact OH-CG2 3.5Å; Y1219-R1263 HydrophobicContact CD2-CB 4.46Å; Y1219-L1264 HydrophobicContact CD1-CD2 3.49Å; Y1219-L1264 VanDerWaalsContact CD1-CD2 3.49Å; Y1219-L1264 HydrophobicContact CD2-CD2 3.69Å; Y1219-L1264 HydrophobicContact CD2-CG 4.38Å; Y1219-L1264 HydrophobicContact CE1-CD2 3.58Å; Y1219-L1264 HydrophobicContact CE2-CD2 3.74Å; Y1219-L1264 HydrophobicContact CE2-CG 4.24Å; Y1219-L1264 HydrophobicContact CG-CD2 3.57Å
1220	A	92.8	Very high	90	Very high	34 Å²	34	33.8 Å²	33.8	28%	0.281	19%	0.188	S	C	.	.	H	α-helix	trans	-61.3	-40.2	175	0	0	0	0	0	111.4	E1216 K1223 Q1224 A1267	E1216-A1220 PolarHBondContact O-N 2.93Å; A1220-K1223 PolarHBondContact O-N 2.99Å; A1220-Q1224 WeakPolarHBondContact O-CG 3.14Å; A1220-Q1224 PolarHBondContact O-N 3.48Å; A1220-Q1224 VanDerWaalsContact O-N 3.17Å; A1220-A1267 HydrophobicContact CB-CB 4.33Å
1221	E	95.2	Very high	90.2	Very high	52 Å²	52	32.2 Å²	32.2	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-44	172.8	-177.8	175.9	-167.8	0	0	112	M1190 R1194 A1217 E1218 Y1219 K1223 Q1224 L1225	M1190-E1221 HydrophobicContact CE-CB 3.81Å; M1190-E1221 HydrophobicContact CE-CG 3.73Å; M1190-E1221 WeakPolarHBondContact CE-OE2 3.41Å; R1194-E1221 WeakPolarHBondContact CD-OE1 3.29Å; R1194-E1221 WeakPolarHBondContact CG-OE1 3Å; R1194-E1221 IonicContact CZ-OE1 3.09Å; R1194-E1221 IonicContact CZ-OE2 3.93Å; R1194-E1221 IonicContact NE-OE1 3.37Å; R1194-E1221 PolarHBondContact NE-OE1 3.29Å; R1194-E1221 IonicContact NE-OE2 3.53Å; R1194-E1221 PolarHBondContact NE-OE2 2.78Å; R1194-E1221 IonicContact NH2-OE1 3.72Å; R1194-E1221 PolarHBondContact NH2-OE1 3.44Å; R1194-E1221 IonicContact NH2-OE2 2.73Å; R1194-E1221 PolarHBondContact NH2-OE2 3.2Å; A1217-E1221 PolarHBondContact O-N 3.04Å; E1218-E1221 PolarHBondContact O-N 3.03Å; Y1219-E1221 VanDerWaalsContact C-N 3.29Å; Y1219-E1221 PolarHBondContact O-N 3.1Å; E1221-K1223 VanDerWaalsContact C-N 3.29Å; E1221-K1223 PolarHBondContact O-N 3.26Å; E1221-Q1224 WeakPolarHBondContact O-CB 2.99Å; E1221-Q1224 PolarHBondContact O-N 3.44Å; E1221-Q1224 VanDerWaalsContact O-N 3.09Å; E1221-L1225 HydrophobicContact CG-CD1 4.21Å; E1221-L1225 WeakPolarHBondContact O-CG 3.36Å; E1221-L1225 PolarHBondContact O-N 3.17Å
1222	L	93.3	Very high	91.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-38.7	176.1	-71	169.6	0	0	0	112.3	M1190 F1193 L1197 M1209 L1214 E1218 Y1219 L1225 G1226 L1227	M1190-L1222 HydrophobicContact CE-CD2 4.03Å; M1190-L1222 HydrophobicContact CE-CG 3.88Å; M1190-L1222 HydrophobicContact SD-CD1 4.02Å; M1190-L1222 HydrophobicContact SD-CD2 3.89Å; M1190-L1222 HydrophobicContact SD-CG 3.77Å; F1193-L1222 HydrophobicContact CB-CD2 3.53Å; F1193-L1222 HydrophobicContact CD2-CD2 4.17Å; F1193-L1222 HydrophobicContact CG-CD2 3.95Å; L1197-L1222 HydrophobicContact CD1-CD2 3.76Å; M1209-L1222 HydrophobicContact CE-CD1 3.95Å; M1209-L1222 HydrophobicContact CE-CD2 4.42Å; M1209-L1222 HydrophobicContact SD-CD1 3.74Å; L1214-L1222 HydrophobicContact CD1-CD1 3.49Å; L1214-L1222 VanDerWaalsContact CD1-CD1 3.49Å; E1218-L1222 VanDerWaalsContact O-CG 3.3Å; E1218-L1222 WeakPolarHBondContact O-CG 3.43Å; E1218-L1222 PolarHBondContact O-N 3.28Å; Y1219-L1222 HydrophobicContact CD1-CD1 4.03Å; Y1219-L1222 PolarHBondContact O-N 3.48Å; L1222-L1225 PolarHBondContact O-N 2.99Å; L1222-G1226 PolarHBondContact O-N 3.26Å; L1222-L1227 HydrophobicContact CB-CB 4.17Å; L1222-L1227 HydrophobicContact CB-CD2 3.72Å; L1222-L1227 HydrophobicContact CD1-CD2 4.22Å; L1222-L1227 WeakPolarHBondContact O-CB 3.21Å; L1222-L1227 PolarHBondContact O-N 2.93Å
1223	K	91.5	Very high	92.1	Very high	76 Å²	76	32.7 Å²	32.7	33%	0.33	18%	0.183	S	C	.	.	H	α-helix	trans	-59.3	-46.1	172.6	178.8	166.1	170.7	156.7	0	111.2	Y1219 A1220 E1221 L1225 G1226 G1268 I1269 D1270	Y1219-K1223 PolarHBondContact O-N 3.17Å; A1220-K1223 PolarHBondContact O-N 2.99Å; E1221-K1223 VanDerWaalsContact C-N 3.29Å; E1221-K1223 PolarHBondContact O-N 3.26Å; K1223-L1225 VanDerWaalsContact C-N 3.26Å; K1223-L1225 PolarHBondContact O-N 2.75Å; K1223-G1226 PolarHBondContact O-N 3.36Å; K1223-G1268 VanDerWaalsContact CD-O 3.27Å; K1223-G1268 WeakPolarHBondContact CD-O 3.26Å; K1223-G1268 WeakPolarHBondContact CE-O 3.26Å; K1223-G1268 PolarHBondContact NZ-O 2.86Å; K1223-I1269 HydrophobicContact CB-CD1 3.94Å; K1223-D1270 IonicContact NZ-OD1 2.71Å; K1223-D1270 PolarHBondContact NZ-OD1 3.47Å
1224	Q	92	Very high	92.6	Very high	168 Å²	168	32.8 Å²	32.8	79%	0.785	18%	0.183	S	C	*	.	H	α-helix	trans	-62.6	-32.5	177	-69.4	175.6	-2	0	0	112.8	A1220 E1221 G1226	A1220-Q1224 WeakPolarHBondContact O-CG 3.14Å; A1220-Q1224 PolarHBondContact O-N 3.48Å; A1220-Q1224 VanDerWaalsContact O-N 3.17Å; E1221-Q1224 WeakPolarHBondContact O-CB 2.99Å; E1221-Q1224 PolarHBondContact O-N 3.44Å; E1221-Q1224 VanDerWaalsContact O-N 3.09Å; Q1224-G1226 PolarHBondContact O-N 2.96Å
1225	L	92.3	Very high	92.8	Very high	42 Å²	42	33.3 Å²	33.3	22%	0.22	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.1	174.9	-64.6	169.7	0	0	0	113.4	R1194 L1197 P1198 E1221 L1222 K1223	R1194-L1225 HydrophobicContact CG-CD1 4.13Å; L1197-L1225 HydrophobicContact CD2-CB 3.81Å; L1197-L1225 VanDerWaalsContact CD2-O 3.23Å; L1197-L1225 WeakPolarHBondContact CD2-O 3.4Å; P1198-L1225 HydrophobicContact CG-CB 4.45Å; P1198-L1225 HydrophobicContact CG-CD2 3.76Å; E1221-L1225 HydrophobicContact CG-CD1 4.21Å; E1221-L1225 WeakPolarHBondContact O-CG 3.36Å; E1221-L1225 PolarHBondContact O-N 3.17Å; L1222-L1225 PolarHBondContact O-N 2.99Å; K1223-L1225 VanDerWaalsContact C-N 3.26Å; K1223-L1225 PolarHBondContact O-N 2.75Å
1226	G	89.4	Confident	92.9	Very high	14 Å²	14	31.6 Å²	31.6	14%	0.144	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.4	16.1	173.8	0	0	0	0	0	116	R1201 L1222 K1223 Q1224	R1201-G1226 WeakPolarHBondContact CD-O 3.44Å; L1222-G1226 PolarHBondContact O-N 3.26Å; K1223-G1226 PolarHBondContact O-N 3.36Å; Q1224-G1226 PolarHBondContact O-N 2.96Å
1227	L	92.1	Very high	93	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.154	C	C	.	.			trans	-76.3	126.1	174.3	-175.3	72.7	0	0	0	111.2	L1197 L1207 M1209 L1222 V1230 I1269	L1197-L1227 HydrophobicContact CD1-CB 4.29Å; L1197-L1227 HydrophobicContact CD1-CD1 4.4Å; L1197-L1227 HydrophobicContact CD2-CB 4.39Å; L1207-L1227 HydrophobicContact CB-CD1 4.42Å; M1209-L1227 HydrophobicContact CB-CD1 4.06Å; M1209-L1227 HydrophobicContact CE-CD2 4.28Å; M1209-L1227 HydrophobicContact CG-CD1 3.79Å; M1209-L1227 HydrophobicContact CG-CD2 3.74Å; M1209-L1227 HydrophobicContact CG-CG 4.36Å; M1209-L1227 HydrophobicContact SD-CD1 4.25Å; M1209-L1227 HydrophobicContact SD-CD2 3.39Å; M1209-L1227 WeakPolarHBondContact SD-CD2 3.48Å; M1209-L1227 HydrophobicContact SD-CG 4.47Å; L1222-L1227 HydrophobicContact CB-CB 4.17Å; L1222-L1227 HydrophobicContact CB-CD2 3.72Å; L1222-L1227 HydrophobicContact CD1-CD2 4.22Å; L1222-L1227 WeakPolarHBondContact O-CB 3.21Å; L1222-L1227 PolarHBondContact O-N 2.93Å; L1227-V1230 HydrophobicContact CD2-CG2 3.73Å; L1227-I1269 HydrophobicContact CD2-CD1 4.2Å
1228	D	90.3	Very high	93.1	Very high	22 Å²	22	26.6 Å²	26.6	12%	0.118	13%	0.134	C	C	.	.			trans	-92.1	-31.2	-179.7	-50.7	-62.3	0	0	0	113	R1201 S1206 L1207 D1270 K1271	R1201-D1228 IonicContact NH2-OD1 3.34Å; S1206-D1228 WeakPolarHBondContact CA-OD2 3.25Å; S1206-D1228 WeakPolarHBondContact CB-OD2 3.23Å; S1206-D1228 PolarHBondContact OG-OD2 2.71Å; L1207-D1228 PolarHBondContact N-OD2 2.89Å; L1207-D1228 WeakPolarHBondContact O-CB 3.23Å; L1207-D1228 PolarHBondContact O-N 3.05Å; D1228-D1270 WeakPolarHBondContact O-CB 3.47Å; D1228-D1270 PolarHBondContact O-N 2.75Å; D1228-K1271 PolarHBondContact O-N 3.15Å
1229	G	92.5	Very high	93	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	158.1	-172.8	0	0	0	0	0	116.3	L1207 Q1208 M1209 K1271	L1207-G1229 PolarHBondContact O-N 2.91Å; Q1208-G1229 CarbonylContact C-O 3.58Å; Q1208-G1229 WeakPolarHBondContact CA-O 3.36Å; M1209-G1229 PolarHBondContact N-O 2.93Å; G1229-K1271 CarbonylContact C-O 3.55Å; G1229-K1271 WeakPolarHBondContact CA-O 3.43Å
1230	V	94.6	Very high	92.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127	-179.3	-176.4	0	0	0	0	110.5	M1209 Y1219 L1227 V1232 L1264 I1269 K1271 G1273	M1209-V1230 HydrophobicContact CG-CB 4.27Å; M1209-V1230 HydrophobicContact CG-CG1 4.11Å; M1209-V1230 HydrophobicContact CG-CG2 3.68Å; M1209-V1230 CarbonylContact O-C 3.58Å; M1209-V1230 VanDerWaalsContact O-CA 3.3Å; M1209-V1230 WeakPolarHBondContact O-CA 3.12Å; M1209-V1230 HydrophobicContact SD-CG2 4.06Å; Y1219-V1230 HydrophobicContact CD1-CG2 4.36Å; Y1219-V1230 HydrophobicContact CE1-CG1 4.32Å; Y1219-V1230 HydrophobicContact CE1-CG2 4.27Å; L1227-V1230 HydrophobicContact CD2-CG2 3.73Å; V1230-V1232 HydrophobicContact CG1-CG2 3.91Å; V1230-L1264 HydrophobicContact CB-CD1 3.62Å; V1230-L1264 HydrophobicContact CB-CD2 3.59Å; V1230-L1264 HydrophobicContact CB-CG 4.26Å; V1230-L1264 HydrophobicContact CG1-CD1 3.71Å; V1230-L1264 HydrophobicContact CG1-CD2 3.89Å; V1230-L1264 HydrophobicContact CG1-CG 4.45Å; V1230-L1264 HydrophobicContact CG2-CD1 4.47Å; V1230-L1264 HydrophobicContact CG2-CD2 3.5Å; V1230-L1264 VanDerWaalsContact CG2-CD2 3.5Å; V1230-I1269 HydrophobicContact CG2-CD1 4.43Å; V1230-I1269 HydrophobicContact CG2-CG2 4.2Å; V1230-K1271 PolarHBondContact N-O 2.98Å; V1230-G1273 PolarHBondContact O-N 3.45Å
1231	M	93.5	Very high	93	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.034	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.9	176.5	-54.2	-63.7	105.9	0	0	108.6	L1178 M1209 E1210 K1271 G1273	L1178-M1231 HydrophobicContact CD1-CG 3.75Å; M1209-M1231 PolarHBondContact O-N 2.99Å; E1210-M1231 HydrophobicContact CB-CB 4.22Å; E1210-M1231 HydrophobicContact CG-CB 4.35Å; M1231-K1271 HydrophobicContact CE-CD 4.27Å; M1231-K1271 HydrophobicContact CE-CG 4.25Å; M1231-G1273 VanDerWaalsContact SD-CA 3.57Å
1232	V	92	Very high	92.9	Very high	7 Å²	7	27 Å²	27	4%	0.042	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.4	179.4	-173.9	0	0	0	0	109.4	V1230 T1260 P1261 L1264 G1273	V1230-V1232 HydrophobicContact CG1-CG2 3.91Å; V1232-T1260 HydrophobicContact CG1-CG2 4.33Å; V1232-T1260 HydrophobicContact CG2-CG2 3.83Å; V1232-P1261 HydrophobicContact CB-CG 4.3Å; V1232-P1261 HydrophobicContact CG1-CG 4.42Å; V1232-L1264 HydrophobicContact CG2-CD1 3.58Å; V1232-G1273 PolarHBondContact N-O 3.28Å
1233	Y	93.1	Very high	92.9	Very high	19 Å²	19	30 Å²	30	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.1	169.5	-56	-22.4	0	0	0	109.2	E1235 R1257 G1275 S1310 P1312	Y1233-E1235 PolarHBondContact O-N 2.86Å; Y1233-R1257 VanDerWaalsContact O-CZ 3.31Å; Y1233-R1257 PolarHBondContact O-NE 2.72Å; Y1233-R1257 PolarHBondContact O-NH2 3.45Å; Y1233-G1275 WeakPolarHBondContact CA-O 3.13Å; Y1233-S1310 VanDerWaalsContact OH-CB 3.31Å; Y1233-S1310 WeakPolarHBondContact OH-CB 3.49Å; Y1233-S1310 PolarHBondContact OH-OG 3.08Å; Y1233-P1312 HydrophobicContact CD2-CG 4.22Å; Y1233-P1312 HydrophobicContact CE2-CG 4.12Å
1234	Q	93.5	Very high	92.9	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-14.8	172.3	-178.2	54.3	23	0	0	111.3	T1236 Y1237 Y1242 F1254 L1258 G1275	Q1234-T1236 PolarHBondContact O-N 2.72Å; Q1234-Y1237 HydrophobicContact CB-CD2 4.19Å; Q1234-Y1237 HydrophobicContact CB-CE1 4.14Å; Q1234-Y1237 HydrophobicContact CB-CE2 3.65Å; Q1234-Y1237 HydrophobicContact CG-CD1 3.97Å; Q1234-Y1237 HydrophobicContact CG-CD2 4.06Å; Q1234-Y1237 HydrophobicContact CG-CE1 3.91Å; Q1234-Y1237 HydrophobicContact CG-CE2 3.97Å; Q1234-Y1237 HydrophobicContact CG-CG 4.05Å; Q1234-Y1242 VanDerWaalsContact O-CE2 3.28Å; Q1234-Y1242 WeakPolarHBondContact O-CE2 3.34Å; Q1234-F1254 VanDerWaalsContact NE2-CD2 3.35Å; Q1234-L1258 HydrophobicContact CG-CD1 3.95Å; Q1234-L1258 VanDerWaalsContact OE1-N 3.16Å; Q1234-G1275 PolarHBondContact N-O 2.8Å; Q1234-G1275 VanDerWaalsContact N-O 3.08Å
1235	E	93.3	Very high	93	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72	-60	-177.8	-40.4	-67.5	-176.6	0	0	111.6	Y1143 Y1233 K1251 R1257 L1277 L1280	Y1143-E1235 VanDerWaalsContact OH-CG 3.27Å; Y1143-E1235 WeakPolarHBondContact OH-CG 3.47Å; Y1233-E1235 PolarHBondContact O-N 2.86Å; E1235-K1251 IonicContact OE1-NZ 2.77Å; E1235-K1251 PolarHBondContact OE1-NZ 2.92Å; E1235-R1257 IonicContact OE1-CZ 3.72Å; E1235-R1257 IonicContact OE1-NH2 2.7Å; E1235-R1257 PolarHBondContact OE1-NH2 2.85Å; E1235-L1277 HydrophobicContact CB-CB 4.49Å; E1235-L1277 PolarHBondContact O-N 2.86Å; E1235-L1280 HydrophobicContact CB-CD1 3.76Å
1236	T	94.6	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.			trans	-150.8	142.1	168	-179.4	0	0	0	0	109.6	Q1234 H1238 T1241 Y1242 D1287	Q1234-T1236 PolarHBondContact O-N 2.72Å; T1236-H1238 VanDerWaalsContact C-N 3.32Å; T1236-H1238 PolarHBondContact OG1-N 2.78Å; T1236-T1241 HydrophobicContact CG2-CG2 4.08Å; T1236-Y1242 HydrophobicContact CG2-CD2 4.23Å; T1236-D1287 WeakPolarHBondContact CA-OD1 3.29Å; T1236-D1287 PolarHBondContact OG1-OD1 3.32Å; T1236-D1287 VanDerWaalsContact OG1-OD1 3.13Å; T1236-D1287 PolarHBondContact OG1-OD2 2.83Å
1237	Y	95.6	Very high	93.1	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.151	C	C	.	.	S	Bend	trans	-86.4	-2.7	177.4	-72.7	-97.2	0	0	0	112.5	F1056 W1060 Q1234 E1239 L1258 A1276 D1287 M1290 V1291 H1294	F1056-Y1237 HydrophobicContact CD1-CE1 4.46Å; F1056-Y1237 HydrophobicContact CE1-CD1 4.08Å; F1056-Y1237 AromaticContact CE1-CE1 3.74Å; F1056-Y1237 HydrophobicContact CE1-CE1 3.74Å; W1060-Y1237 WeakPolarHBondContact CZ2-O 3.42Å; W1060-Y1237 PolarHBondContact NE1-O 3.03Å; Q1234-Y1237 HydrophobicContact CB-CD2 4.19Å; Q1234-Y1237 HydrophobicContact CB-CE1 4.14Å; Q1234-Y1237 HydrophobicContact CB-CE2 3.65Å; Q1234-Y1237 HydrophobicContact CG-CD1 3.97Å; Q1234-Y1237 HydrophobicContact CG-CD2 4.06Å; Q1234-Y1237 HydrophobicContact CG-CE1 3.91Å; Q1234-Y1237 HydrophobicContact CG-CE2 3.97Å; Q1234-Y1237 HydrophobicContact CG-CG 4.05Å; Y1237-E1239 PolarHBondContact O-N 3.02Å; Y1237-L1258 HydrophobicContact CD1-CD1 3.73Å; Y1237-L1258 HydrophobicContact CE1-CD1 3.59Å; Y1237-A1276 HydrophobicContact CD2-CB 4.49Å; Y1237-A1276 HydrophobicContact CE2-CB 4.41Å; Y1237-D1287 PolarHBondContact N-OD1 3.26Å; Y1237-M1290 HydrophobicContact CD1-CB 3.87Å; Y1237-M1290 HydrophobicContact CD2-CB 3.85Å; Y1237-M1290 HydrophobicContact CG-CB 3.48Å; Y1237-M1290 VanDerWaalsContact CG-CB 3.48Å; Y1237-M1290 HydrophobicContact CG-CG 4.28Å; Y1237-V1291 HydrophobicContact CD2-CG2 4.22Å; Y1237-V1291 HydrophobicContact CE2-CB 4.41Å; Y1237-V1291 HydrophobicContact CE2-CG2 3.46Å; Y1237-V1291 VanDerWaalsContact CE2-CG2 3.46Å; Y1237-H1294 HydrophobicContact CE1-CB 4.1Å; Y1237-H1294 AromaticContact CE1-ND1 3.55Å; Y1237-H1294 AromaticContact CZ-ND1 3.69Å; Y1237-H1294 PolarHBondContact OH-ND1 3.09Å
1238	H	94.4	Very high	93	Very high	48 Å²	48	35 Å²	35	22%	0.222	18%	0.176	C	C	.	.			trans	-86.3	103.8	173.7	-171.7	-119.1	0	0	0	110.4	W1065 T1236 A1240 T1241 Y1242	W1065-H1238 AromaticContact CD1-CD2 3.97Å; W1065-H1238 HydrophobicContact CD2-CB 4.04Å; W1065-H1238 AromaticContact CD2-CD2 3.58Å; W1065-H1238 AromaticContact CE2-CD2 3.88Å; W1065-H1238 HydrophobicContact CE3-CB 3.8Å; W1065-H1238 AromaticContact CE3-CD2 3.99Å; W1065-H1238 AromaticContact CG-CD2 3.7Å; W1065-H1238 HydrophobicContact CH2-CB 3.62Å; W1065-H1238 HydrophobicContact CZ2-CB 3.83Å; W1065-H1238 HydrophobicContact CZ3-CB 3.6Å; T1236-H1238 VanDerWaalsContact C-N 3.32Å; T1236-H1238 PolarHBondContact OG1-N 2.78Å; H1238-A1240 VanDerWaalsContact C-N 3.32Å; H1238-A1240 PolarHBondContact O-N 3.49Å; H1238-T1241 WeakPolarHBondContact ND1-CB 3.3Å; H1238-T1241 PolarHBondContact ND1-N 3.15Å; H1238-T1241 PolarHBondContact ND1-OG1 2.89Å; H1238-T1241 PolarHBondContact O-N 3.39Å; H1238-Y1242 PolarHBondContact O-N 2.84Å
1239	E	93.5	Very high	92.8	Very high	86 Å²	86	35.3 Å²	35.3	40%	0.402	19%	0.185	S	C	.	.	H	α-helix	trans	-51.4	-46.6	-174.8	-178.4	-178.4	-165.8	0	0	112.9	W1060 Y1237 T1241 Y1242 A1243 F1254	W1060-E1239 HydrophobicContact CH2-CB 3.64Å; W1060-E1239 HydrophobicContact CH2-CG 4.47Å; W1060-E1239 WeakPolarHBondContact CH2-OE2 3.39Å; W1060-E1239 HydrophobicContact CZ2-CB 3.88Å; Y1237-E1239 PolarHBondContact O-N 3.02Å; E1239-T1241 VanDerWaalsContact C-N 3.31Å; E1239-T1241 PolarHBondContact O-N 3.05Å; E1239-Y1242 WeakPolarHBondContact O-CB 3.45Å; E1239-Y1242 PolarHBondContact O-N 3.23Å; E1239-A1243 PolarHBondContact O-N 2.6Å; E1239-F1254 HydrophobicContact CB-CD1 4.27Å; E1239-F1254 HydrophobicContact CB-CE1 4.15Å; E1239-F1254 HydrophobicContact CB-CE2 4.37Å; E1239-F1254 HydrophobicContact CB-CG 4.45Å; E1239-F1254 HydrophobicContact CB-CZ 4.2Å; E1239-F1254 HydrophobicContact CG-CD1 4.1Å; E1239-F1254 HydrophobicContact CG-CE1 4.46Å; E1239-F1254 HydrophobicContact CG-CG 4.18Å
1240	A	92.3	Very high	92.5	Very high	49 Å²	49	40.1 Å²	40.1	41%	0.405	21%	0.206	S	C	.	.	H	α-helix	trans	-65	-34	-179.8	0	0	0	0	0	112.7	H1238 R1244	H1238-A1240 VanDerWaalsContact C-N 3.32Å; H1238-A1240 PolarHBondContact O-N 3.49Å; A1240-R1244 WeakPolarHBondContact O-CG 3.41Å; A1240-R1244 PolarHBondContact O-N 3.37Å
1241	T	93.1	Very high	92.2	Very high	11 Å²	11	41 Å²	41	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-74.4	-40.4	173.7	-64.8	0	0	0	0	110.7	T1236 H1238 E1239 A1243 R1244 H1245 L1280	T1236-T1241 HydrophobicContact CG2-CG2 4.08Å; H1238-T1241 WeakPolarHBondContact ND1-CB 3.3Å; H1238-T1241 PolarHBondContact ND1-N 3.15Å; H1238-T1241 PolarHBondContact ND1-OG1 2.89Å; H1238-T1241 PolarHBondContact O-N 3.39Å; E1239-T1241 VanDerWaalsContact C-N 3.31Å; E1239-T1241 PolarHBondContact O-N 3.05Å; T1241-A1243 VanDerWaalsContact C-N 3.33Å; T1241-A1243 PolarHBondContact O-N 3.31Å; T1241-R1244 WeakPolarHBondContact O-CB 3.45Å; T1241-R1244 PolarHBondContact O-N 3.02Å; T1241-R1244 VanDerWaalsContact O-N 3.12Å; T1241-H1245 PolarHBondContact O-CD2 2.9Å; T1241-H1245 PolarHBondContact O-N 2.91Å; T1241-L1280 VanDerWaalsContact CG2-O 3.29Å; T1241-L1280 WeakPolarHBondContact CG2-O 3.02Å
1242	Y	94.2	Very high	92.1	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-46.2	176.6	-172.3	-84.1	0	0	0	111.5	Q1234 T1236 H1238 E1239 R1244 H1245 H1246 K1251 F1254 R1257	Q1234-Y1242 VanDerWaalsContact O-CE2 3.28Å; Q1234-Y1242 WeakPolarHBondContact O-CE2 3.34Å; T1236-Y1242 HydrophobicContact CG2-CD2 4.23Å; H1238-Y1242 PolarHBondContact O-N 2.84Å; E1239-Y1242 WeakPolarHBondContact O-CB 3.45Å; E1239-Y1242 PolarHBondContact O-N 3.23Å; Y1242-R1244 VanDerWaalsContact C-N 3.28Å; Y1242-R1244 PolarHBondContact O-N 2.87Å; Y1242-H1245 PolarHBondContact O-N 2.74Å; Y1242-H1245 VanDerWaalsContact O-N 3.1Å; Y1242-H1246 HydrophobicContact CD1-CB 4.42Å; Y1242-H1246 AromaticContact CD1-CE1 3.99Å; Y1242-H1246 AromaticContact CD1-ND1 3.3Å; Y1242-H1246 VanDerWaalsContact CD1-ND1 3.3Å; Y1242-H1246 WeakPolarHBondContact CD1-ND1 3.32Å; Y1242-H1246 AromaticContact CD2-CE1 3.33Å; Y1242-H1246 WeakPolarHBondContact CD2-CE1 3.15Å; Y1242-H1246 AromaticContact CD2-ND1 3.51Å; Y1242-H1246 HydrophobicContact CE1-CB 4.09Å; Y1242-H1246 AromaticContact CE1-CE1 3.84Å; Y1242-H1246 AromaticContact CE1-CG 3.71Å; Y1242-H1246 AromaticContact CE1-ND1 3.28Å; Y1242-H1246 VanDerWaalsContact CE1-ND1 3.28Å; Y1242-H1246 WeakPolarHBondContact CE1-ND1 3.49Å; Y1242-H1246 AromaticContact CE2-CE1 3.15Å; Y1242-H1246 WeakPolarHBondContact CE2-CE1 3.14Å; Y1242-H1246 AromaticContact CE2-ND1 3.49Å; Y1242-H1246 WeakPolarHBondContact CE2-ND1 3.49Å; Y1242-H1246 AromaticContact CE2-NE2 3.89Å; Y1242-H1246 AromaticContact CG-CE1 3.73Å; Y1242-H1246 AromaticContact CG-ND1 3.39Å; Y1242-H1246 AromaticContact CZ-CE1 3.41Å; Y1242-H1246 VanDerWaalsContact CZ-CE1 3.41Å; Y1242-H1246 AromaticContact CZ-CG 3.84Å; Y1242-H1246 AromaticContact CZ-ND1 3.36Å; Y1242-H1246 AromaticContact CZ-NE2 3.94Å; Y1242-H1246 PolarHBondContact O-N 2.77Å; Y1242-H1246 PolarHBondContact O-ND1 3Å; Y1242-K1251 WeakPolarHBondContact CE1-O 3.33Å; Y1242-K1251 VanDerWaalsContact CZ-O 3.26Å; Y1242-K1251 WeakPolarHBondContact OH-CG 3.49Å; Y1242-K1251 PolarHBondContact OH-O 3.23Å; Y1242-F1254 HydrophobicContact CD1-CB 3.91Å; Y1242-F1254 AromaticContact CD1-CD2 3.7Å; Y1242-F1254 HydrophobicContact CD1-CD2 3.7Å; Y1242-F1254 HydrophobicContact CD1-CG 4.31Å; Y1242-F1254 AromaticContact CD2-CD2 3.79Å; Y1242-F1254 HydrophobicContact CD2-CD2 3.79Å; Y1242-F1254 HydrophobicContact CD2-CE2 4.23Å; Y1242-F1254 HydrophobicContact CE1-CB 4.08Å; Y1242-F1254 HydrophobicContact CE1-CD2 4.26Å; Y1242-F1254 HydrophobicContact CE2-CD2 4.33Å; Y1242-F1254 AromaticContact CG-CD2 3.46Å; Y1242-F1254 HydrophobicContact CG-CD2 3.46Å; Y1242-F1254 VanDerWaalsContact CG-CD2 3.46Å; Y1242-F1254 HydrophobicContact CG-CE2 4.14Å; Y1242-F1254 HydrophobicContact CG-CG 4.47Å; Y1242-R1257 WeakPolarHBondContact OH-CD 3.46Å
1243	A	92.6	Very high	92.2	Very high	61 Å²	61	49.1 Å²	49.1	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-32.3	177.8	0	0	0	0	0	113.2	E1239 T1241 H1245	E1239-A1243 PolarHBondContact O-N 2.6Å; T1241-A1243 VanDerWaalsContact C-N 3.33Å; T1241-A1243 PolarHBondContact O-N 3.31Å; A1243-H1245 VanDerWaalsContact C-N 3.3Å; A1243-H1245 PolarHBondContact O-N 3.42Å
1244	R	92.8	Very high	92.2	Very high	173 Å²	173	48.7 Å²	48.7	65%	0.653	25%	0.248	S	C	*	.	H	α-helix	trans	-70.1	-25.8	175.8	-69	171.7	-166.6	178	4.4	113.1	A1240 T1241 Y1242 L1247	A1240-R1244 WeakPolarHBondContact O-CG 3.41Å; A1240-R1244 PolarHBondContact O-N 3.37Å; T1241-R1244 WeakPolarHBondContact O-CB 3.45Å; T1241-R1244 PolarHBondContact O-N 3.02Å; T1241-R1244 VanDerWaalsContact O-N 3.12Å; Y1242-R1244 VanDerWaalsContact C-N 3.28Å; Y1242-R1244 PolarHBondContact O-N 2.87Å; R1244-L1247 WeakPolarHBondContact O-CD2 3.28Å
1245	H	92.5	Very high	92.2	Very high	27 Å²	27	50.7 Å²	50.7	13%	0.125	26%	0.257	C	S	.	.	H	α-helix	trans	-99.7	-21.3	-176.3	-67.9	-60.4	0	0	0	114.4	C1141 T1142 Y1143 T1241 Y1242 A1243 L1280 I1321	C1141-H1245 CarbonylContact C-O 3.1Å; C1141-H1245 VanDerWaalsContact CA-O 3.29Å; C1141-H1245 WeakPolarHBondContact CA-O 3.14Å; T1142-H1245 PolarHBondContact N-O 3.36Å; T1142-H1245 WeakPolarHBondContact OG1-CA 3.35Å; T1142-H1245 WeakPolarHBondContact OG1-CB 3.17Å; T1142-H1245 PolarHBondContact OG1-ND1 3.18Å; T1142-H1245 PolarHBondContact OG1-O 3.04Å; Y1143-H1245 HydrophobicContact CD1-CB 3.95Å; Y1143-H1245 HydrophobicContact CE1-CB 3.95Å; T1241-H1245 PolarHBondContact O-CD2 2.9Å; T1241-H1245 PolarHBondContact O-N 2.91Å; Y1242-H1245 PolarHBondContact O-N 2.74Å; Y1242-H1245 VanDerWaalsContact O-N 3.1Å; A1243-H1245 VanDerWaalsContact C-N 3.3Å; A1243-H1245 PolarHBondContact O-N 3.42Å; H1245-L1280 PolarHBondContact NE2-O 3.18Å; H1245-I1321 WeakPolarHBondContact CE1-CD1 3.4Å; H1245-I1321 WeakPolarHBondContact ND1-CD1 3.3Å
1246	H	91.9	Very high	92.2	Very high	2 Å²	2	54 Å²	54	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	93.8	179.2	-55.3	96.5	0	0	0	109.7	Y1143 Y1242 K1251 Q1252	Y1143-H1246 AromaticContact CE1-CE1 3.92Å; Y1143-H1246 AromaticContact CE1-NE2 3.54Å; Y1143-H1246 AromaticContact CZ-NE2 3.51Å; Y1143-H1246 PolarHBondContact OH-NE2 2.7Å; Y1242-H1246 HydrophobicContact CD1-CB 4.42Å; Y1242-H1246 AromaticContact CD1-CE1 3.99Å; Y1242-H1246 AromaticContact CD1-ND1 3.3Å; Y1242-H1246 VanDerWaalsContact CD1-ND1 3.3Å; Y1242-H1246 WeakPolarHBondContact CD1-ND1 3.32Å; Y1242-H1246 AromaticContact CD2-CE1 3.33Å; Y1242-H1246 WeakPolarHBondContact CD2-CE1 3.15Å; Y1242-H1246 AromaticContact CD2-ND1 3.51Å; Y1242-H1246 HydrophobicContact CE1-CB 4.09Å; Y1242-H1246 AromaticContact CE1-CE1 3.84Å; Y1242-H1246 AromaticContact CE1-CG 3.71Å; Y1242-H1246 AromaticContact CE1-ND1 3.28Å; Y1242-H1246 VanDerWaalsContact CE1-ND1 3.28Å; Y1242-H1246 WeakPolarHBondContact CE1-ND1 3.49Å; Y1242-H1246 AromaticContact CE2-CE1 3.15Å; Y1242-H1246 WeakPolarHBondContact CE2-CE1 3.14Å; Y1242-H1246 AromaticContact CE2-ND1 3.49Å; Y1242-H1246 WeakPolarHBondContact CE2-ND1 3.49Å; Y1242-H1246 AromaticContact CE2-NE2 3.89Å; Y1242-H1246 AromaticContact CG-CE1 3.73Å; Y1242-H1246 AromaticContact CG-ND1 3.39Å; Y1242-H1246 AromaticContact CZ-CE1 3.41Å; Y1242-H1246 VanDerWaalsContact CZ-CE1 3.41Å; Y1242-H1246 AromaticContact CZ-CG 3.84Å; Y1242-H1246 AromaticContact CZ-ND1 3.36Å; Y1242-H1246 AromaticContact CZ-NE2 3.94Å; Y1242-H1246 PolarHBondContact O-N 2.77Å; Y1242-H1246 PolarHBondContact O-ND1 3Å; H1246-K1251 WeakPolarHBondContact CB-O 3.11Å; H1246-K1251 VanDerWaalsContact NE2-CE 3.33Å; H1246-K1251 WeakPolarHBondContact NE2-CE 3.49Å; H1246-Q1252 WeakPolarHBondContact O-CG 3.47Å; H1246-Q1252 PolarHBondContact O-NE2 2.92Å
1247	L	91.8	Very high	92.1	Very high	80 Å²	80	55 Å²	55	42%	0.419	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-25.3	-165	-57.5	180	0	0	0	114.3	D1140 T1142 R1244 Q1252	D1140-L1247 HydrophobicContact CB-CB 4.18Å; D1140-L1247 PolarHBondContact O-N 2.86Å; T1142-L1247 HydrophobicContact CG2-CD1 3.76Å; T1142-L1247 HydrophobicContact CG2-CG 4.1Å; R1244-L1247 WeakPolarHBondContact O-CD2 3.28Å; L1247-Q1252 VanDerWaalsContact C-CD 3.5Å; L1247-Q1252 PolarHBondContact O-NE2 3.37Å
1248	K	90.4	Very high	92	Very high	126 Å²	126	54.9 Å²	54.9	55%	0.548	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.2	177.7	-64.7	-173.4	179.7	171.3	0	111.1	N1139 D1140	N1139-K1248 CarbonylContact C-O 3.57Å; N1139-K1248 VanDerWaalsContact CA-O 3.23Å; N1139-K1248 WeakPolarHBondContact CA-O 3.41Å; D1140-K1248 HydrophobicContact CB-CB 3.76Å; D1140-K1248 HydrophobicContact CB-CG 4.29Å; D1140-K1248 PolarHBondContact N-O 3.08Å
1249	G	86.7	Confident	92	Very high	29 Å²	29	54.8 Å²	54.8	30%	0.299	27%	0.272	S	S	.	.	S	Bend	trans	94.8	-178.4	174.1	0	0	0	0	0	113.4	N1139 K1251 Q1252	N1139-G1249 VanDerWaalsContact OD1-C 3.24Å; N1139-G1249 VanDerWaalsContact OD1-CA 3.3Å; N1139-G1249 WeakPolarHBondContact OD1-CA 3.48Å; G1249-K1251 PolarHBondContact O-N 3.16Å; G1249-Q1252 WeakPolarHBondContact O-CB 3.48Å; G1249-Q1252 VanDerWaalsContact O-CG 3.22Å; G1249-Q1252 WeakPolarHBondContact O-CG 3.4Å; G1249-Q1252 PolarHBondContact O-N 2.91Å; G1249-Q1252 VanDerWaalsContact O-N 3.14Å
1250	K	85.3	Confident	92	Very high	101 Å²	101	50.8 Å²	50.8	44%	0.439	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.3	-25.3	-177.5	-70.7	-166.3	175.7	-162	0	113.1	N1139 E1183 Q1252 D1253	N1139-K1250 PolarHBondContact OD1-N 3.38Å; E1183-K1250 VanDerWaalsContact OE1-CB 3.31Å; E1183-K1250 WeakPolarHBondContact OE1-CB 3.32Å; K1250-Q1252 PolarHBondContact O-N 3.48Å; K1250-Q1252 VanDerWaalsContact O-N 3.15Å; K1250-D1253 PolarHBondContact O-N 3.34Å; K1250-D1253 VanDerWaalsContact O-N 3.15Å
1251	K	89.8	Confident	92.1	Very high	19 Å²	19	48.5 Å²	48.5	8%	0.083	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-68	-8	176.2	-157.8	172.2	177.4	179.3	0	113.2	N1139 Y1143 E1235 Y1242 H1246 G1249 D1253	N1139-K1251 HydrophobicContact CB-CB 4.04Å; N1139-K1251 VanDerWaalsContact CG-CB 3.41Å; N1139-K1251 WeakPolarHBondContact OD1-CB 3.34Å; N1139-K1251 PolarHBondContact OD1-N 2.87Å; Y1143-K1251 VanDerWaalsContact OH-CE 3.3Å; Y1143-K1251 WeakPolarHBondContact OH-CE 3.44Å; Y1143-K1251 PolarHBondContact OH-NZ 3.29Å; E1235-K1251 IonicContact OE1-NZ 2.77Å; E1235-K1251 PolarHBondContact OE1-NZ 2.92Å; Y1242-K1251 WeakPolarHBondContact CE1-O 3.33Å; Y1242-K1251 VanDerWaalsContact CZ-O 3.26Å; Y1242-K1251 WeakPolarHBondContact OH-CG 3.49Å; Y1242-K1251 PolarHBondContact OH-O 3.23Å; H1246-K1251 WeakPolarHBondContact CB-O 3.11Å; H1246-K1251 VanDerWaalsContact NE2-CE 3.33Å; H1246-K1251 WeakPolarHBondContact NE2-CE 3.49Å; G1249-K1251 PolarHBondContact O-N 3.16Å; K1251-D1253 PolarHBondContact O-N 2.77Å
1252	Q	91.7	Very high	92.1	Very high	100 Å²	100	48 Å²	48	47%	0.467	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-66	-28.6	169.8	-63.7	-166.7	-86.7	0	0	113.1	H1246 L1247 G1249 K1250 F1254	H1246-Q1252 WeakPolarHBondContact O-CG 3.47Å; H1246-Q1252 PolarHBondContact O-NE2 2.92Å; L1247-Q1252 VanDerWaalsContact C-CD 3.5Å; L1247-Q1252 PolarHBondContact O-NE2 3.37Å; G1249-Q1252 WeakPolarHBondContact O-CB 3.48Å; G1249-Q1252 VanDerWaalsContact O-CG 3.22Å; G1249-Q1252 WeakPolarHBondContact O-CG 3.4Å; G1249-Q1252 PolarHBondContact O-N 2.91Å; G1249-Q1252 VanDerWaalsContact O-N 3.14Å; K1250-Q1252 PolarHBondContact O-N 3.48Å; K1250-Q1252 VanDerWaalsContact O-N 3.15Å; Q1252-F1254 PolarHBondContact O-N 3.5Å
1253	D	92.7	Very high	92.1	Very high	83 Å²	83	48.4 Å²	48.4	44%	0.444	23%	0.233	S	C	.	.			trans	-76.1	98.1	-179.9	-170.6	-23.9	0	0	0	109.5	K1250 K1251 F1255 W1256 R1257	K1250-D1253 PolarHBondContact O-N 3.34Å; K1250-D1253 VanDerWaalsContact O-N 3.15Å; K1251-D1253 PolarHBondContact O-N 2.77Å; D1253-F1255 PolarHBondContact OD1-N 2.94Å; D1253-W1256 HydrophobicContact CB-CB 3.68Å; D1253-W1256 PolarHBondContact O-N 3.37Å; D1253-W1256 WeakPolarHBondContact OD1-CB 3.4Å; D1253-W1256 PolarHBondContact OD1-N 3.15Å; D1253-W1256 WeakPolarHBondContact OD2-CB 3.42Å; D1253-R1257 PolarHBondContact O-N 3.44Å
1254	F	93.7	Very high	92.2	Very high	10 Å²	10	45.5 Å²	45.5	4%	0.044	21%	0.209	C	C	.	.	H	α-helix	trans	-56.6	-48.2	-179.5	174.9	-101.6	0	0	0	111.7	W1060 Q1234 E1239 Y1242 Q1252 R1257 L1258	W1060-F1254 HydrophobicContact CD2-CE1 4.14Å; W1060-F1254 HydrophobicContact CD2-CZ 4.45Å; W1060-F1254 AromaticContact CE2-CE1 3.85Å; W1060-F1254 AromaticContact CE2-CZ 3.79Å; W1060-F1254 HydrophobicContact CE3-CE1 4.29Å; W1060-F1254 AromaticContact CH2-CE1 3.98Å; W1060-F1254 HydrophobicContact CH2-CE1 3.98Å; W1060-F1254 HydrophobicContact CH2-CZ 4.39Å; W1060-F1254 AromaticContact CZ2-CE1 3.78Å; W1060-F1254 HydrophobicContact CZ2-CE1 3.78Å; W1060-F1254 AromaticContact CZ2-CZ 3.76Å; W1060-F1254 HydrophobicContact CZ2-CZ 3.76Å; W1060-F1254 HydrophobicContact CZ3-CE1 4.22Å; W1060-F1254 AromaticContact NE1-CZ 3.98Å; Q1234-F1254 VanDerWaalsContact NE2-CD2 3.35Å; E1239-F1254 HydrophobicContact CB-CD1 4.27Å; E1239-F1254 HydrophobicContact CB-CE1 4.15Å; E1239-F1254 HydrophobicContact CB-CE2 4.37Å; E1239-F1254 HydrophobicContact CB-CG 4.45Å; E1239-F1254 HydrophobicContact CB-CZ 4.2Å; E1239-F1254 HydrophobicContact CG-CD1 4.1Å; E1239-F1254 HydrophobicContact CG-CE1 4.46Å; E1239-F1254 HydrophobicContact CG-CG 4.18Å; Y1242-F1254 HydrophobicContact CD1-CB 3.91Å; Y1242-F1254 AromaticContact CD1-CD2 3.7Å; Y1242-F1254 HydrophobicContact CD1-CD2 3.7Å; Y1242-F1254 HydrophobicContact CD1-CG 4.31Å; Y1242-F1254 AromaticContact CD2-CD2 3.79Å; Y1242-F1254 HydrophobicContact CD2-CD2 3.79Å; Y1242-F1254 HydrophobicContact CD2-CE2 4.23Å; Y1242-F1254 HydrophobicContact CE1-CB 4.08Å; Y1242-F1254 HydrophobicContact CE1-CD2 4.26Å; Y1242-F1254 HydrophobicContact CE2-CD2 4.33Å; Y1242-F1254 AromaticContact CG-CD2 3.46Å; Y1242-F1254 HydrophobicContact CG-CD2 3.46Å; Y1242-F1254 VanDerWaalsContact CG-CD2 3.46Å; Y1242-F1254 HydrophobicContact CG-CE2 4.14Å; Y1242-F1254 HydrophobicContact CG-CG 4.47Å; Q1252-F1254 PolarHBondContact O-N 3.5Å; F1254-R1257 PolarHBondContact O-N 3.48Å; F1254-L1258 HydrophobicContact CE1-CD2 3.83Å; F1254-L1258 HydrophobicContact CZ-CD2 4.29Å; F1254-L1258 WeakPolarHBondContact O-CB 3.37Å; F1254-L1258 PolarHBondContact O-N 2.75Å
1255	F	93.2	Very high	92.1	Very high	46 Å²	46	37.8 Å²	37.8	20%	0.202	18%	0.183	C	C	.	.	H	α-helix	trans	-72.9	-36.7	-176.6	-66.8	-71.9	0	0	0	111.6	W1060 D1253 R1257 L1258 E1259	W1060-F1255 AromaticContact CE3-CE1 3.88Å; W1060-F1255 HydrophobicContact CE3-CE1 3.88Å; W1060-F1255 HydrophobicContact CE3-CZ 4.26Å; W1060-F1255 AromaticContact CZ3-CE1 3.96Å; W1060-F1255 HydrophobicContact CZ3-CE1 3.96Å; W1060-F1255 AromaticContact CZ3-CZ 3.85Å; W1060-F1255 HydrophobicContact CZ3-CZ 3.85Å; D1253-F1255 PolarHBondContact OD1-N 2.94Å; F1255-R1257 PolarHBondContact O-N 3Å; F1255-L1258 HydrophobicContact CD1-CD2 4.2Å; F1255-L1258 HydrophobicContact CE1-CD2 4.49Å; F1255-L1258 PolarHBondContact O-N 2.95Å; F1255-E1259 WeakPolarHBondContact O-CB 3.11Å; F1255-E1259 VanDerWaalsContact O-CG 3.29Å; F1255-E1259 WeakPolarHBondContact O-CG 3.42Å; F1255-E1259 PolarHBondContact O-N 3.37Å
1256	W	92.6	Very high	92.1	Very high	81 Å²	81	41.3 Å²	41.3	31%	0.307	20%	0.195	S	C	.	.	H	α-helix	trans	-58	-39.1	173.3	-178.4	-110.9	0	0	0	112.3	P1213 D1253 T1260 R1263	P1213-W1256 PolarHBondContact O-NE1 3.37Å; D1253-W1256 HydrophobicContact CB-CB 3.68Å; D1253-W1256 PolarHBondContact O-N 3.37Å; D1253-W1256 WeakPolarHBondContact OD1-CB 3.4Å; D1253-W1256 PolarHBondContact OD1-N 3.15Å; D1253-W1256 WeakPolarHBondContact OD2-CB 3.42Å; W1256-T1260 PolarHBondContact O-OG1 3.26Å; W1256-T1260 VanDerWaalsContact O-OG1 3.12Å; W1256-R1263 PolarHBondContact O-NH1 2.99Å; W1256-R1263 PolarHBondContact O-NH2 3.07Å
1257	R	92.7	Very high	92.1	Very high	20 Å²	20	41.9 Å²	41.9	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-74.2	-44.8	174.6	-166.6	164.2	-176.6	99.5	-4.1	111.9	P1213 Y1233 E1235 Y1242 D1253 F1254 F1255 E1259 T1260	P1213-R1257 HydrophobicContact CG-CB 4.26Å; P1213-R1257 HydrophobicContact CG-CG 4.01Å; Y1233-R1257 VanDerWaalsContact O-CZ 3.31Å; Y1233-R1257 PolarHBondContact O-NE 2.72Å; Y1233-R1257 PolarHBondContact O-NH2 3.45Å; E1235-R1257 IonicContact OE1-CZ 3.72Å; E1235-R1257 IonicContact OE1-NH2 2.7Å; E1235-R1257 PolarHBondContact OE1-NH2 2.85Å; Y1242-R1257 WeakPolarHBondContact OH-CD 3.46Å; D1253-R1257 PolarHBondContact O-N 3.44Å; F1254-R1257 PolarHBondContact O-N 3.48Å; F1255-R1257 PolarHBondContact O-N 3Å; R1257-E1259 VanDerWaalsContact C-N 3.27Å; R1257-E1259 PolarHBondContact O-N 2.86Å; R1257-T1260 WeakPolarHBondContact CA-OG1 3.42Å; R1257-T1260 VanDerWaalsContact O-CB 3.26Å; R1257-T1260 WeakPolarHBondContact O-CB 3.3Å; R1257-T1260 PolarHBondContact O-N 2.94Å; R1257-T1260 PolarHBondContact O-OG1 2.87Å
1258	L	94	Very high	92	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-38.1	-179.7	-170.8	67.6	0	0	0	112.4	F1056 W1060 Q1234 Y1237 F1254 F1255 T1260 P1261 H1294	F1056-L1258 HydrophobicContact CD1-CD1 3.82Å; F1056-L1258 HydrophobicContact CD1-CD2 4.34Å; F1056-L1258 HydrophobicContact CD1-CG 4.04Å; F1056-L1258 HydrophobicContact CE1-CD1 4.07Å; W1060-L1258 HydrophobicContact CB-CD2 4.02Å; W1060-L1258 HydrophobicContact CD2-CD2 4.34Å; W1060-L1258 HydrophobicContact CG-CD2 3.97Å; Q1234-L1258 HydrophobicContact CG-CD1 3.95Å; Q1234-L1258 VanDerWaalsContact OE1-N 3.16Å; Y1237-L1258 HydrophobicContact CD1-CD1 3.73Å; Y1237-L1258 HydrophobicContact CE1-CD1 3.59Å; F1254-L1258 HydrophobicContact CE1-CD2 3.83Å; F1254-L1258 HydrophobicContact CZ-CD2 4.29Å; F1254-L1258 WeakPolarHBondContact O-CB 3.37Å; F1254-L1258 PolarHBondContact O-N 2.75Å; F1255-L1258 HydrophobicContact CD1-CD2 4.2Å; F1255-L1258 HydrophobicContact CE1-CD2 4.49Å; F1255-L1258 PolarHBondContact O-N 2.95Å; L1258-T1260 VanDerWaalsContact C-N 3.31Å; L1258-T1260 PolarHBondContact O-N 2.7Å; L1258-P1261 VanDerWaalsContact O-CD 3.27Å; L1258-P1261 WeakPolarHBondContact O-CD 3.24Å; L1258-H1294 PolarHBondContact O-CE1 2.84Å; L1258-H1294 VanDerWaalsContact O-CE1 3.32Å
1259	E	93.7	Very high	92.1	Very high	46 Å²	46	33.2 Å²	33.2	22%	0.215	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.7	179.7	-64.7	176.7	178.5	0	0	113.8	T1055 S1057 F1255 R1257 D1262 R1263	T1055-E1259 HydrophobicContact CG2-CG 4.45Å; T1055-E1259 PolarHBondContact OG1-OE1 2.72Å; S1057-E1259 VanDerWaalsContact CB-OE1 3.32Å; S1057-E1259 WeakPolarHBondContact CB-OE1 3.37Å; S1057-E1259 VanDerWaalsContact OG-CD 3.31Å; S1057-E1259 WeakPolarHBondContact OG-CG 3.47Å; S1057-E1259 PolarHBondContact OG-OE1 3.47Å; F1255-E1259 WeakPolarHBondContact O-CB 3.11Å; F1255-E1259 VanDerWaalsContact O-CG 3.29Å; F1255-E1259 WeakPolarHBondContact O-CG 3.42Å; F1255-E1259 PolarHBondContact O-N 3.37Å; R1257-E1259 VanDerWaalsContact C-N 3.27Å; R1257-E1259 PolarHBondContact O-N 2.86Å; E1259-D1262 WeakPolarHBondContact O-CB 3.23Å; E1259-D1262 PolarHBondContact O-N 2.77Å; E1259-R1263 PolarHBondContact O-N 3.5Å
1260	T	94.5	Very high	92.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-45.3	179.3	-47.8	0	0	0	0	111.9	P1213 Y1219 V1232 W1256 R1257 L1258 D1262 R1263 L1264	P1213-T1260 HydrophobicContact CB-CG2 4.3Å; P1213-T1260 WeakPolarHBondContact CB-OG1 3.27Å; Y1219-T1260 HydrophobicContact CE2-CG2 3.91Å; Y1219-T1260 VanDerWaalsContact OH-CG2 3.26Å; Y1219-T1260 WeakPolarHBondContact OH-CG2 3.5Å; V1232-T1260 HydrophobicContact CG1-CG2 4.33Å; V1232-T1260 HydrophobicContact CG2-CG2 3.83Å; W1256-T1260 PolarHBondContact O-OG1 3.26Å; W1256-T1260 VanDerWaalsContact O-OG1 3.12Å; R1257-T1260 WeakPolarHBondContact CA-OG1 3.42Å; R1257-T1260 VanDerWaalsContact O-CB 3.26Å; R1257-T1260 WeakPolarHBondContact O-CB 3.3Å; R1257-T1260 PolarHBondContact O-N 2.94Å; R1257-T1260 PolarHBondContact O-OG1 2.87Å; L1258-T1260 VanDerWaalsContact C-N 3.31Å; L1258-T1260 PolarHBondContact O-N 2.7Å; T1260-D1262 VanDerWaalsContact C-N 3.29Å; T1260-D1262 PolarHBondContact O-N 2.8Å; T1260-R1263 WeakPolarHBondContact O-CB 3.27Å; T1260-R1263 PolarHBondContact O-N 2.81Å; T1260-R1263 PolarHBondContact OG1-NH2 2.96Å; T1260-L1264 HydrophobicContact CG2-CD1 4.39Å; T1260-L1264 HydrophobicContact CG2-CG 4.44Å; T1260-L1264 WeakPolarHBondContact O-CG 3.22Å; T1260-L1264 PolarHBondContact O-N 3.31Å
1261	P	94.7	Very high	92.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.013	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-37.8	175.2	-26.8	40.4	0	0	0	113.6	V1232 L1258 L1264 G1265 I1272 L1274 L1298	V1232-P1261 HydrophobicContact CB-CG 4.3Å; V1232-P1261 HydrophobicContact CG1-CG 4.42Å; L1258-P1261 VanDerWaalsContact O-CD 3.27Å; L1258-P1261 WeakPolarHBondContact O-CD 3.24Å; P1261-L1264 WeakPolarHBondContact O-CB 3.24Å; P1261-L1264 PolarHBondContact O-N 3.12Å; P1261-G1265 PolarHBondContact O-N 2.88Å; P1261-I1272 HydrophobicContact CB-CG2 4.09Å; P1261-L1274 HydrophobicContact CB-CD2 4.1Å; P1261-L1274 HydrophobicContact CG-CD2 3.69Å; P1261-L1298 HydrophobicContact CB-CD1 3.54Å; P1261-L1298 HydrophobicContact CB-CD2 3.78Å; P1261-L1298 HydrophobicContact CB-CG 4.28Å
1262	D	92.8	Very high	92.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-44.6	171.4	-75.9	-76.1	0	0	0	111.9	F1056 E1259 T1260 L1264 G1265 R1266 W1297 Y1302	F1056-D1262 WeakPolarHBondContact CB-OD2 3.48Å; F1056-D1262 PolarHBondContact N-OD2 3.06Å; E1259-D1262 WeakPolarHBondContact O-CB 3.23Å; E1259-D1262 PolarHBondContact O-N 2.77Å; T1260-D1262 VanDerWaalsContact C-N 3.29Å; T1260-D1262 PolarHBondContact O-N 2.8Å; D1262-L1264 VanDerWaalsContact C-N 3.33Å; D1262-L1264 PolarHBondContact O-N 2.84Å; D1262-G1265 PolarHBondContact O-N 3.44Å; D1262-R1266 PolarHBondContact O-N 2.83Å; D1262-W1297 PolarHBondContact OD1-NE1 3.36Å; D1262-Y1302 WeakPolarHBondContact CA-OH 3.34Å; D1262-Y1302 HydrophobicContact CB-CE2 4.1Å; D1262-Y1302 VanDerWaalsContact CB-OH 3.26Å; D1262-Y1302 WeakPolarHBondContact CB-OH 3.31Å; D1262-Y1302 PolarHBondContact O-OH 2.75Å; D1262-Y1302 WeakPolarHBondContact OD1-CE2 3.34Å; D1262-Y1302 PolarHBondContact OD1-OH 3.35Å
1263	R	94.4	Very high	93.1	Very high	9 Å²	9	25 Å²	25	3%	0.034	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-36.3	175.3	-68.9	-167.6	-59.9	-80.7	1.6	112.7	L1214 E1216 Y1219 W1256 E1259 T1260 A1267	L1214-R1263 PolarHBondContact O-NE 3.33Å; E1216-R1263 HydrophobicContact CB-CB 4.43Å; Y1219-R1263 HydrophobicContact CD2-CB 4.46Å; W1256-R1263 PolarHBondContact O-NH1 2.99Å; W1256-R1263 PolarHBondContact O-NH2 3.07Å; E1259-R1263 PolarHBondContact O-N 3.5Å; T1260-R1263 WeakPolarHBondContact O-CB 3.27Å; T1260-R1263 PolarHBondContact O-N 2.81Å; T1260-R1263 PolarHBondContact OG1-NH2 2.96Å; R1263-A1267 VanDerWaalsContact O-CB 3.3Å; R1263-A1267 WeakPolarHBondContact O-CB 3.27Å; R1263-A1267 PolarHBondContact O-N 2.99Å
1264	L	94.7	Very high	93.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.7	-42.5	177.1	-68.3	170.2	0	0	0	111.9	Y1219 V1230 V1232 T1260 P1261 D1262 A1267 G1268 I1269 I1272	Y1219-L1264 HydrophobicContact CD1-CD2 3.49Å; Y1219-L1264 VanDerWaalsContact CD1-CD2 3.49Å; Y1219-L1264 HydrophobicContact CD2-CD2 3.69Å; Y1219-L1264 HydrophobicContact CD2-CG 4.38Å; Y1219-L1264 HydrophobicContact CE1-CD2 3.58Å; Y1219-L1264 HydrophobicContact CE2-CD2 3.74Å; Y1219-L1264 HydrophobicContact CE2-CG 4.24Å; Y1219-L1264 HydrophobicContact CG-CD2 3.57Å; V1230-L1264 HydrophobicContact CB-CD1 3.62Å; V1230-L1264 HydrophobicContact CB-CD2 3.59Å; V1230-L1264 HydrophobicContact CB-CG 4.26Å; V1230-L1264 HydrophobicContact CG1-CD1 3.71Å; V1230-L1264 HydrophobicContact CG1-CD2 3.89Å; V1230-L1264 HydrophobicContact CG1-CG 4.45Å; V1230-L1264 HydrophobicContact CG2-CD1 4.47Å; V1230-L1264 HydrophobicContact CG2-CD2 3.5Å; V1230-L1264 VanDerWaalsContact CG2-CD2 3.5Å; V1232-L1264 HydrophobicContact CG2-CD1 3.58Å; T1260-L1264 HydrophobicContact CG2-CD1 4.39Å; T1260-L1264 HydrophobicContact CG2-CG 4.44Å; T1260-L1264 WeakPolarHBondContact O-CG 3.22Å; T1260-L1264 PolarHBondContact O-N 3.31Å; P1261-L1264 WeakPolarHBondContact O-CB 3.24Å; P1261-L1264 PolarHBondContact O-N 3.12Å; D1262-L1264 VanDerWaalsContact C-N 3.33Å; D1262-L1264 PolarHBondContact O-N 2.84Å; L1264-A1267 PolarHBondContact O-N 2.97Å; L1264-G1268 PolarHBondContact O-N 3.07Å; L1264-I1269 HydrophobicContact CB-CB 4.39Å; L1264-I1269 HydrophobicContact CB-CG1 4.46Å; L1264-I1269 HydrophobicContact CD2-CB 4.5Å; L1264-I1269 HydrophobicContact CD2-CG1 3.92Å; L1264-I1269 PolarHBondContact O-N 3.38Å; L1264-I1272 HydrophobicContact CB-CD1 3.79Å; L1264-I1272 HydrophobicContact CB-CG1 3.94Å; L1264-I1272 HydrophobicContact CD1-CG1 4.45Å; L1264-I1272 HydrophobicContact CD1-CG2 4.12Å
1265	G	90.9	Very high	93.2	Very high	11 Å²	11	20.6 Å²	20.6	11%	0.113	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-47.3	174.7	0	0	0	0	0	111.6	P1261 D1262 A1267 G1268	P1261-G1265 PolarHBondContact O-N 2.88Å; D1262-G1265 PolarHBondContact O-N 3.44Å; G1265-A1267 PolarHBondContact O-N 2.89Å; G1265-G1268 WeakPolarHBondContact O-CA 3.08Å; G1265-G1268 PolarHBondContact O-N 2.74Å
1266	R	91.7	Very high	93.3	Very high	102 Å²	102	18.6 Å²	18.6	39%	0.385	9%	0.092	S	C	.	.	H	α-helix	trans	-65.5	-35.3	175.8	-69.2	-168.2	-63.8	-87.2	1.4	114.1	E1216 D1262 G1268 Y1302	E1216-R1266 HydrophobicContact CG-CB 4.17Å; E1216-R1266 IonicContact OE2-CZ 3.79Å; E1216-R1266 IonicContact OE2-NE 2.69Å; E1216-R1266 PolarHBondContact OE2-NE 3.05Å; E1216-R1266 IonicContact OE2-NH2 3.93Å; D1262-R1266 PolarHBondContact O-N 2.83Å; R1266-G1268 PolarHBondContact O-N 3.42Å; R1266-Y1302 HydrophobicContact CG-CE1 3.63Å; R1266-Y1302 PolarHBondContact NH1-OH 2.86Å; R1266-Y1302 VanDerWaalsContact NH1-OH 3.1Å
1267	A	92.4	Very high	93.4	Very high	13 Å²	13	15 Å²	15	11%	0.107	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-6.4	171.7	0	0	0	0	0	113.2	E1216 A1220 R1263 L1264 G1265 I1269	E1216-A1267 HydrophobicContact CG-CB 4.35Å; A1220-A1267 HydrophobicContact CB-CB 4.33Å; R1263-A1267 VanDerWaalsContact O-CB 3.3Å; R1263-A1267 WeakPolarHBondContact O-CB 3.27Å; R1263-A1267 PolarHBondContact O-N 2.99Å; L1264-A1267 PolarHBondContact O-N 2.97Å; G1265-A1267 PolarHBondContact O-N 2.89Å; A1267-I1269 HydrophobicContact CB-CG1 4.39Å
1268	G	90.2	Very high	93.4	Very high	25 Å²	25	14.5 Å²	14.5	26%	0.258	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	23.6	178	0	0	0	0	0	113.8	K1223 L1264 G1265 R1266 D1270	K1223-G1268 VanDerWaalsContact CD-O 3.27Å; K1223-G1268 WeakPolarHBondContact CD-O 3.26Å; K1223-G1268 WeakPolarHBondContact CE-O 3.26Å; K1223-G1268 PolarHBondContact NZ-O 2.86Å; L1264-G1268 PolarHBondContact O-N 3.07Å; G1265-G1268 WeakPolarHBondContact O-CA 3.08Å; G1265-G1268 PolarHBondContact O-N 2.74Å; R1266-G1268 PolarHBondContact O-N 3.42Å; G1268-D1270 PolarHBondContact O-N 2.91Å
1269	I	92.6	Very high	93.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.			trans	-60.3	132.6	-179.7	-68.1	-73.8	0	0	0	110.7	K1223 L1227 V1230 L1264 A1267 K1271 S1305	K1223-I1269 HydrophobicContact CB-CD1 3.94Å; L1227-I1269 HydrophobicContact CD2-CD1 4.2Å; V1230-I1269 HydrophobicContact CG2-CD1 4.43Å; V1230-I1269 HydrophobicContact CG2-CG2 4.2Å; L1264-I1269 HydrophobicContact CB-CB 4.39Å; L1264-I1269 HydrophobicContact CB-CG1 4.46Å; L1264-I1269 HydrophobicContact CD2-CB 4.5Å; L1264-I1269 HydrophobicContact CD2-CG1 3.92Å; L1264-I1269 PolarHBondContact O-N 3.38Å; A1267-I1269 HydrophobicContact CB-CG1 4.39Å; I1269-K1271 VanDerWaalsContact C-N 3.31Å; I1269-K1271 WeakPolarHBondContact CG2-O 3.28Å; I1269-K1271 PolarHBondContact O-N 2.85Å; I1269-S1305 WeakPolarHBondContact O-CB 3.4Å; I1269-S1305 PolarHBondContact O-OG 3.09Å
1270	D	90.4	Very high	93.3	Very high	64 Å²	64	12.4 Å²	12.4	34%	0.342	7%	0.069	S	C	.	.	S	Bend	trans	-71.2	-24.8	-169	-56.9	-24.9	0	0	0	113.3	K1223 D1228 G1268 R1306	K1223-D1270 IonicContact NZ-OD1 2.71Å; K1223-D1270 PolarHBondContact NZ-OD1 3.47Å; D1228-D1270 WeakPolarHBondContact O-CB 3.47Å; D1228-D1270 PolarHBondContact O-N 2.75Å; G1268-D1270 PolarHBondContact O-N 2.91Å; D1270-R1306 PolarHBondContact O-N 3.45Å
1271	K	93	Very high	93.1	Very high	11 Å²	11	12.4 Å²	12.4	5%	0.048	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	127.9	176.1	-175.5	-177.1	173.5	-174.6	0	113	D1228 G1229 V1230 M1231 I1269 R1306 S1308 E1347	D1228-K1271 PolarHBondContact O-N 3.15Å; G1229-K1271 CarbonylContact C-O 3.55Å; G1229-K1271 WeakPolarHBondContact CA-O 3.43Å; V1230-K1271 PolarHBondContact N-O 2.98Å; M1231-K1271 HydrophobicContact CE-CD 4.27Å; M1231-K1271 HydrophobicContact CE-CG 4.25Å; I1269-K1271 VanDerWaalsContact C-N 3.31Å; I1269-K1271 WeakPolarHBondContact CG2-O 3.28Å; I1269-K1271 PolarHBondContact O-N 2.85Å; K1271-R1306 CarbonylContact C-O 3.47Å; K1271-R1306 VanDerWaalsContact CA-O 3.28Å; K1271-R1306 WeakPolarHBondContact CA-O 3.46Å; K1271-S1308 VanDerWaalsContact CE-OG 3.31Å; K1271-S1308 WeakPolarHBondContact CE-OG 3.47Å; K1271-E1347 IonicContact NZ-OE1 2.75Å; K1271-E1347 PolarHBondContact NZ-OE1 2.69Å; K1271-E1347 IonicContact NZ-OE2 3.94Å; K1271-E1347 PolarHBondContact NZ-OE2 3.41Å
1272	I	94.9	Very high	92.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.3	176.4	-57.5	171.7	0	0	0	109.3	P1261 L1264 L1298 R1306 Y1307 S1308	P1261-I1272 HydrophobicContact CB-CG2 4.09Å; L1264-I1272 HydrophobicContact CB-CD1 3.79Å; L1264-I1272 HydrophobicContact CB-CG1 3.94Å; L1264-I1272 HydrophobicContact CD1-CG1 4.45Å; L1264-I1272 HydrophobicContact CD1-CG2 4.12Å; I1272-L1298 HydrophobicContact CG2-CD1 4.31Å; I1272-R1306 PolarHBondContact N-O 2.7Å; I1272-Y1307 HydrophobicContact CB-CD1 4.18Å; I1272-Y1307 HydrophobicContact CB-CE1 4.15Å; I1272-Y1307 HydrophobicContact CD1-CE1 4.26Å; I1272-Y1307 WeakPolarHBondContact O-CA 3.27Å; I1272-S1308 PolarHBondContact O-N 2.74Å
1273	G	94.4	Very high	92.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.4	175.6	0	0	0	0	0	112.5	V1230 M1231 V1232 S1308	V1230-G1273 PolarHBondContact O-N 3.45Å; M1231-G1273 VanDerWaalsContact SD-CA 3.57Å; V1232-G1273 PolarHBondContact N-O 3.28Å; G1273-S1308 CarbonylContact C-O 3.54Å; G1273-S1308 WeakPolarHBondContact CA-O 3.06Å; G1273-S1308 VanDerWaalsContact CA-OG 3.26Å; G1273-S1308 WeakPolarHBondContact CA-OG 3.27Å
1274	L	95.6	Very high	92.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	158.3	176.2	-63.7	177.7	0	0	0	111.4	P1261 V1291 H1294 L1295 L1298 S1308 V1309 S1310	P1261-L1274 HydrophobicContact CB-CD2 4.1Å; P1261-L1274 HydrophobicContact CG-CD2 3.69Å; L1274-V1291 HydrophobicContact CB-CG1 4.38Å; L1274-H1294 HydrophobicContact CD1-CB 4.34Å; L1274-L1295 HydrophobicContact CD1-CB 4.01Å; L1274-L1298 HydrophobicContact CD1-CD1 3.76Å; L1274-L1298 HydrophobicContact CD2-CD1 3.93Å; L1274-L1298 HydrophobicContact CG-CD1 4.13Å; L1274-S1308 PolarHBondContact N-O 3.27Å; L1274-V1309 WeakPolarHBondContact O-CA 3.39Å; L1274-S1310 PolarHBondContact O-N 3.11Å
1275	G	94.5	Very high	92.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	159	171.5	0	0	0	0	0	112.1	Y1233 Q1234	Y1233-G1275 WeakPolarHBondContact CA-O 3.13Å; Q1234-G1275 PolarHBondContact N-O 2.8Å; Q1234-G1275 VanDerWaalsContact N-O 3.08Å
1276	A	94.4	Very high	93.1	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.033	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.6	166.1	0	0	0	0	0	108.3	Y1237 I1278 D1287 V1291	Y1237-A1276 HydrophobicContact CD2-CB 4.49Å; Y1237-A1276 HydrophobicContact CE2-CB 4.41Å; A1276-I1278 PolarHBondContact O-N 2.92Å; A1276-I1278 VanDerWaalsContact O-N 3.1Å; A1276-D1287 HydrophobicContact CB-CB 4.28Å; A1276-V1291 HydrophobicContact CB-CG2 3.81Å
1277	L	94.1	Very high	93.3	Very high	7 Å²	7	13.5 Å²	13.5	4%	0.037	8%	0.077	C	C	.	.			trans	-79.6	93.1	176	-175.1	60.4	0	0	0	108.4	Y1143 E1235 G1279 L1280 P1312 L1314	Y1143-L1277 HydrophobicContact CD2-CD2 3.45Å; Y1143-L1277 VanDerWaalsContact CD2-CD2 3.45Å; Y1143-L1277 HydrophobicContact CE2-CD2 3.75Å; Y1143-L1277 HydrophobicContact CG-CD2 4Å; E1235-L1277 HydrophobicContact CB-CB 4.49Å; E1235-L1277 PolarHBondContact O-N 2.86Å; L1277-G1279 PolarHBondContact O-N 3.37Å; L1277-L1280 HydrophobicContact CB-CD1 3.94Å; L1277-L1280 HydrophobicContact CB-CG 4.17Å; L1277-L1280 HydrophobicContact CD2-CD1 3.94Å; L1277-L1280 HydrophobicContact CD2-CD2 4.34Å; L1277-L1280 HydrophobicContact CD2-CG 4.06Å; L1277-L1280 HydrophobicContact CG-CD1 4.26Å; L1277-L1280 HydrophobicContact CG-CG 4.15Å; L1277-L1280 PolarHBondContact O-N 3.07Å; L1277-P1312 HydrophobicContact CD1-CB 4.12Å; L1277-P1312 HydrophobicContact CD1-CG 4.41Å; L1277-L1314 HydrophobicContact CD2-CD1 3.71Å; L1277-L1314 HydrophobicContact CG-CD1 4.16Å
1278	I	94.3	Very high	93.5	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.041	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-61.1	123.2	-173	-63.6	161.7	0	0	0	109.2	A1276 W1284 F1311 P1312 R1313 L1314 M1327	A1276-I1278 PolarHBondContact O-N 2.92Å; A1276-I1278 VanDerWaalsContact O-N 3.1Å; I1278-W1284 HydrophobicContact CG2-CB 4Å; I1278-F1311 HydrophobicContact CD1-CB 4.31Å; I1278-P1312 PolarHBondContact N-O 2.93Å; I1278-R1313 HydrophobicContact CB-CG 4.28Å; I1278-R1313 HydrophobicContact CG2-CG 4.42Å; I1278-L1314 PolarHBondContact O-N 3.48Å; I1278-M1327 HydrophobicContact CD1-CE 3.89Å; I1278-M1327 HydrophobicContact CD1-SD 3.96Å; I1278-M1327 HydrophobicContact CG1-CE 4.37Å; I1278-M1327 HydrophobicContact CG2-CB 3.8Å; I1278-M1327 HydrophobicContact CG2-CE 3.74Å; I1278-M1327 HydrophobicContact CG2-CG 4.49Å; I1278-M1327 HydrophobicContact CG2-SD 3.94Å
1279	G	91.9	Very high	93.8	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.1	-4.2	-177.9	0	0	0	0	0	114.9	L1277 P1323 A1324 S1325	L1277-G1279 PolarHBondContact O-N 3.37Å; G1279-P1323 CarbonylContact O-C 3.54Å; G1279-P1323 WeakPolarHBondContact O-CA 3.07Å; G1279-A1324 PolarHBondContact O-N 3.08Å; G1279-S1325 VanDerWaalsContact CA-O 3.31Å; G1279-S1325 WeakPolarHBondContact CA-O 3.36Å
1280	L	92.2	Very high	94	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.01	6%	0.063	C	C	.	.	S	Bend	trans	-74.7	-41.7	170.7	-71.1	-174.9	0	0	0	112.9	Y1143 E1235 T1241 H1245 L1277 L1314 I1321 A1324	Y1143-L1280 HydrophobicContact CD1-CD1 3.84Å; Y1143-L1280 HydrophobicContact CD1-CD2 3.58Å; Y1143-L1280 HydrophobicContact CD1-CG 4.37Å; Y1143-L1280 HydrophobicContact CE1-CD1 3.77Å; Y1143-L1280 HydrophobicContact CE1-CD2 4.36Å; Y1143-L1280 HydrophobicContact CG-CD1 4.4Å; Y1143-L1280 HydrophobicContact CG-CD2 3.85Å; E1235-L1280 HydrophobicContact CB-CD1 3.76Å; T1241-L1280 VanDerWaalsContact CG2-O 3.29Å; T1241-L1280 WeakPolarHBondContact CG2-O 3.02Å; H1245-L1280 PolarHBondContact NE2-O 3.18Å; L1277-L1280 HydrophobicContact CB-CD1 3.94Å; L1277-L1280 HydrophobicContact CB-CG 4.17Å; L1277-L1280 HydrophobicContact CD2-CD1 3.94Å; L1277-L1280 HydrophobicContact CD2-CD2 4.34Å; L1277-L1280 HydrophobicContact CD2-CG 4.06Å; L1277-L1280 HydrophobicContact CG-CD1 4.26Å; L1277-L1280 HydrophobicContact CG-CG 4.15Å; L1277-L1280 PolarHBondContact O-N 3.07Å; L1280-L1314 HydrophobicContact CD2-CD1 4.39Å; L1280-L1314 HydrophobicContact CD2-CD2 4.49Å; L1280-I1321 HydrophobicContact CD2-CD1 4.01Å; L1280-A1324 WeakPolarHBondContact O-CB 3.47Å
1281	S	91.7	Very high	94.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-89.4	163	173.6	72.2	0	0	0	0	112.3	N1283 D1287 S1325	S1281-N1283 PolarHBondContact O-N 3.22Å; S1281-N1283 PolarHBondContact OG-N 2.87Å; S1281-N1283 PolarHBondContact OG-O 3.44Å; S1281-D1287 WeakPolarHBondContact CB-OD2 3.47Å; S1281-D1287 PolarHBondContact OG-OD2 3.38Å; S1281-S1325 VanDerWaalsContact O-CB 3.3Å; S1281-S1325 WeakPolarHBondContact O-CB 3.48Å; S1281-S1325 PolarHBondContact O-N 3.34Å; S1281-S1325 PolarHBondContact O-OG 3.41Å
1282	D	89.3	Confident	94.5	Very high	84 Å²	84	9.3 Å²	9.3	45%	0.449	5%	0.047	S	C	.	.	S	Bend	trans	-73.8	-9.4	174.3	70.9	-40.4	0	0	0	112.7	R1069	R1069-D1282 IonicContact NH1-OD2 2.73Å; R1069-D1282 PolarHBondContact NH1-OD2 3.45Å; R1069-D1282 VanDerWaalsContact NH1-OD2 3.09Å
1283	N	92.1	Very high	94.5	Very high	15 Å²	15	9.4 Å²	9.4	8%	0.08	5%	0.047	C	C	.	.			trans	-140.2	90.4	-177.1	-164.8	-28.8	0	0	0	112.8	W1065 R1069 S1281 R1285 V1286 D1287	W1065-N1283 HydrophobicContact CZ2-CB 4.45Å; R1069-N1283 WeakPolarHBondContact CG-ND2 3.11Å; S1281-N1283 PolarHBondContact O-N 3.22Å; S1281-N1283 PolarHBondContact OG-N 2.87Å; S1281-N1283 PolarHBondContact OG-O 3.44Å; N1283-R1285 PolarHBondContact O-N 3.36Å; N1283-R1285 WeakPolarHBondContact OD1-CB 3.44Å; N1283-R1285 PolarHBondContact OD1-N 2.89Å; N1283-R1285 VanDerWaalsContact OD1-N 3.07Å; N1283-V1286 HydrophobicContact CB-CG2 4.25Å; N1283-V1286 PolarHBondContact O-N 3.01Å; N1283-V1286 PolarHBondContact OD1-N 3.15Å; N1283-D1287 PolarHBondContact O-N 3.45Å
1284	W	94.3	Very high	94.6	Very high	11 Å²	11	9.4 Å²	9.4	4%	0.042	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-28.7	176.4	68.8	-104.2	0	0	0	113.9	L1098 I1278 D1287 C1288 M1327 Q1331 T1335	L1098-W1284 HydrophobicContact CD2-CZ3 4.45Å; I1278-W1284 HydrophobicContact CG2-CB 4Å; W1284-D1287 PolarHBondContact O-N 3.03Å; W1284-C1288 WeakPolarHBondContact O-CB 3.35Å; W1284-C1288 PolarHBondContact O-N 2.87Å; W1284-C1288 PolarHBondContact O-SG 2.81Å; W1284-M1327 HydrophobicContact CB-CE 4.01Å; W1284-M1327 HydrophobicContact CD2-CE 3.29Å; W1284-M1327 HydrophobicContact CE3-CE 3.13Å; W1284-M1327 HydrophobicContact CG-CE 3.71Å; W1284-M1327 HydrophobicContact CH2-CE 4.3Å; W1284-M1327 HydrophobicContact CZ2-CE 4.43Å; W1284-M1327 HydrophobicContact CZ3-CE 3.69Å; W1284-Q1331 HydrophobicContact CH2-CB 4.12Å; W1284-Q1331 HydrophobicContact CZ2-CB 3.68Å; W1284-Q1331 HydrophobicContact CZ2-CG 3.84Å; W1284-T1335 WeakPolarHBondContact CZ3-OG1 3.39Å
1285	R	95.4	Very high	94.6	Very high	37 Å²	37	9.4 Å²	9.4	14%	0.14	5%	0.047	C	C	.	.	H	α-helix	trans	-66.4	-41.6	-178.4	-70.5	-178.4	168.8	84.4	2.1	111	I1072 L1098 N1283 C1288 Y1289	I1072-R1285 HydrophobicContact CD1-CB 4.39Å; I1072-R1285 HydrophobicContact CG2-CB 4.3Å; L1098-R1285 WeakPolarHBondContact O-CD 3.48Å; L1098-R1285 PolarHBondContact O-NE 3.16Å; N1283-R1285 PolarHBondContact O-N 3.36Å; N1283-R1285 WeakPolarHBondContact OD1-CB 3.44Å; N1283-R1285 PolarHBondContact OD1-N 2.89Å; N1283-R1285 VanDerWaalsContact OD1-N 3.07Å; R1285-C1288 PolarHBondContact O-N 3.19Å; R1285-Y1289 WeakPolarHBondContact O-CB 3.33Å; R1285-Y1289 PolarHBondContact O-N 3.48Å
1286	V	96.1	Very high	94.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-70.1	-43.6	178	-175.6	0	0	0	0	110.1	W1065 I1068 R1069 N1283 C1288 Y1289 M1290	W1065-V1286 HydrophobicContact CD2-CB 4.23Å; W1065-V1286 HydrophobicContact CD2-CG1 3.45Å; W1065-V1286 VanDerWaalsContact CD2-CG1 3.45Å; W1065-V1286 HydrophobicContact CE3-CB 4.46Å; W1065-V1286 HydrophobicContact CE3-CG1 3.52Å; W1065-V1286 HydrophobicContact CG-CG1 4Å; W1065-V1286 HydrophobicContact CH2-CB 4.07Å; W1065-V1286 HydrophobicContact CH2-CG1 3.96Å; W1065-V1286 HydrophobicContact CZ2-CB 3.84Å; W1065-V1286 HydrophobicContact CZ2-CG1 3.93Å; W1065-V1286 HydrophobicContact CZ3-CB 4.38Å; W1065-V1286 HydrophobicContact CZ3-CG1 3.77Å; I1068-V1286 HydrophobicContact CB-CG1 4.37Å; I1068-V1286 HydrophobicContact CG2-CG1 3.98Å; I1068-V1286 HydrophobicContact CG2-CG2 4.33Å; R1069-V1286 HydrophobicContact CB-CG2 3.79Å; N1283-V1286 HydrophobicContact CB-CG2 4.25Å; N1283-V1286 PolarHBondContact O-N 3.01Å; N1283-V1286 PolarHBondContact OD1-N 3.15Å; V1286-C1288 VanDerWaalsContact C-N 3.33Å; V1286-C1288 PolarHBondContact O-N 2.85Å; V1286-Y1289 PolarHBondContact O-N 3.42Å; V1286-M1290 HydrophobicContact CG1-CE 4.43Å; V1286-M1290 HydrophobicContact CG1-CG 4.37Å; V1286-M1290 VanDerWaalsContact O-CG 3.26Å; V1286-M1290 WeakPolarHBondContact O-CG 3.33Å; V1286-M1290 PolarHBondContact O-N 3.03Å
1287	D	95.4	Very high	94.3	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-56.8	-45.5	173.3	-101	-33.3	0	0	0	111.8	W1065 T1236 Y1237 A1276 S1281 N1283 W1284 M1290 V1291	W1065-D1287 HydrophobicContact CH2-CB 4.22Å; W1065-D1287 WeakPolarHBondContact CH2-OD1 3.33Å; T1236-D1287 WeakPolarHBondContact CA-OD1 3.29Å; T1236-D1287 PolarHBondContact OG1-OD1 3.32Å; T1236-D1287 VanDerWaalsContact OG1-OD1 3.13Å; T1236-D1287 PolarHBondContact OG1-OD2 2.83Å; Y1237-D1287 PolarHBondContact N-OD1 3.26Å; A1276-D1287 HydrophobicContact CB-CB 4.28Å; S1281-D1287 WeakPolarHBondContact CB-OD2 3.47Å; S1281-D1287 PolarHBondContact OG-OD2 3.38Å; N1283-D1287 PolarHBondContact O-N 3.45Å; W1284-D1287 PolarHBondContact O-N 3.03Å; D1287-M1290 PolarHBondContact O-N 3.39Å; D1287-V1291 WeakPolarHBondContact O-CG2 3.32Å; D1287-V1291 PolarHBondContact O-N 2.82Å
1288	C	96.8	Very high	94.1	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.034	6%	0.055	C	C	.	.	H	α-helix	trans	-65.2	-38.9	176.5	-72.5	0	0	0	0	112.5	L1098 W1284 R1285 V1286 V1291 A1292 T1335 F1339	L1098-C1288 HydrophobicContact CD1-CB 4.29Å; W1284-C1288 WeakPolarHBondContact O-CB 3.35Å; W1284-C1288 PolarHBondContact O-N 2.87Å; W1284-C1288 PolarHBondContact O-SG 2.81Å; R1285-C1288 PolarHBondContact O-N 3.19Å; V1286-C1288 VanDerWaalsContact C-N 3.33Å; V1286-C1288 PolarHBondContact O-N 2.85Å; C1288-V1291 PolarHBondContact O-N 2.83Å; C1288-A1292 PolarHBondContact O-N 2.89Å; C1288-A1292 VanDerWaalsContact O-N 3.12Å; C1288-T1335 HydrophobicContact CB-CG2 4.12Å; C1288-F1339 HydrophobicContact CB-CE2 4.25Å; C1288-F1339 VanDerWaalsContact O-CZ 3.26Å; C1288-F1339 WeakPolarHBondContact O-CZ 3.28Å
1289	Y	97.2	Very high	93.9	Very high	10 Å²	10	13.8 Å²	13.8	4%	0.039	7%	0.068	C	C	.	.	H	α-helix	trans	-63.8	-40.4	173.1	179.5	-94.2	0	0	0	111.8	I1068 I1072 R1091 M1094 M1095 R1285 V1286 V1291 A1292 E1293	I1068-Y1289 HydrophobicContact CD1-CD1 3.97Å; I1068-Y1289 HydrophobicContact CD1-CE1 3.83Å; I1068-Y1289 HydrophobicContact CG1-CD1 4.31Å; I1068-Y1289 HydrophobicContact CG1-CE1 4.09Å; I1068-Y1289 HydrophobicContact CG2-CD1 3.48Å; I1068-Y1289 VanDerWaalsContact CG2-CD1 3.48Å; I1068-Y1289 HydrophobicContact CG2-CE1 4.01Å; I1068-Y1289 HydrophobicContact CG2-CG 3.97Å; I1072-Y1289 HydrophobicContact CD1-CG 4.32Å; R1091-Y1289 WeakPolarHBondContact O-CE2 3.15Å; M1094-Y1289 HydrophobicContact CG-CD2 4.26Å; M1095-Y1289 HydrophobicContact CE-CD1 4.48Å; M1095-Y1289 HydrophobicContact CE-CD2 4.45Å; M1095-Y1289 HydrophobicContact CE-CE1 3.73Å; M1095-Y1289 HydrophobicContact CE-CE2 3.69Å; M1095-Y1289 VanDerWaalsContact CE-OH 3.3Å; M1095-Y1289 WeakPolarHBondContact CE-OH 3.39Å; M1095-Y1289 HydrophobicContact CG-CD2 3.76Å; M1095-Y1289 HydrophobicContact CG-CE2 3.43Å; M1095-Y1289 VanDerWaalsContact CG-CE2 3.43Å; M1095-Y1289 HydrophobicContact SD-CE2 4.43Å; R1285-Y1289 WeakPolarHBondContact O-CB 3.33Å; R1285-Y1289 PolarHBondContact O-N 3.48Å; V1286-Y1289 PolarHBondContact O-N 3.42Å; Y1289-V1291 VanDerWaalsContact C-N 3.34Å; Y1289-V1291 PolarHBondContact O-N 2.79Å; Y1289-A1292 CarbonylContact O-C 3.48Å; Y1289-A1292 WeakPolarHBondContact O-CA 3.3Å; Y1289-A1292 VanDerWaalsContact O-CB 3.3Å; Y1289-A1292 WeakPolarHBondContact O-CB 3.33Å; Y1289-A1292 PolarHBondContact O-N 2.91Å; Y1289-E1293 HydrophobicContact CD1-CG 4.11Å; Y1289-E1293 HydrophobicContact CE1-CG 3.5Å; Y1289-E1293 VanDerWaalsContact CE1-CG 3.5Å; Y1289-E1293 VanDerWaalsContact CZ-OE1 3.25Å; Y1289-E1293 PolarHBondContact O-N 2.76Å; Y1289-E1293 PolarHBondContact OH-OE1 3.32Å
1290	M	96.6	Very high	93.4	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-36	176	-68.6	-67.5	-165.5	0	0	112.3	L1063 W1065 I1068 Y1237 V1286 D1287 A1292 E1293 H1294	L1063-M1290 HydrophobicContact CB-CE 3.91Å; L1063-M1290 HydrophobicContact CB-SD 4.24Å; L1063-M1290 HydrophobicContact CD1-SD 3.74Å; W1065-M1290 HydrophobicContact CE3-CE 4.04Å; W1065-M1290 HydrophobicContact CE3-CG 4.49Å; W1065-M1290 HydrophobicContact CZ3-CG 4.22Å; I1068-M1290 HydrophobicContact CD1-CE 3.6Å; I1068-M1290 HydrophobicContact CD1-SD 4.2Å; Y1237-M1290 HydrophobicContact CD1-CB 3.87Å; Y1237-M1290 HydrophobicContact CD2-CB 3.85Å; Y1237-M1290 HydrophobicContact CG-CB 3.48Å; Y1237-M1290 VanDerWaalsContact CG-CB 3.48Å; Y1237-M1290 HydrophobicContact CG-CG 4.28Å; V1286-M1290 HydrophobicContact CG1-CE 4.43Å; V1286-M1290 HydrophobicContact CG1-CG 4.37Å; V1286-M1290 VanDerWaalsContact O-CG 3.26Å; V1286-M1290 WeakPolarHBondContact O-CG 3.33Å; V1286-M1290 PolarHBondContact O-N 3.03Å; D1287-M1290 PolarHBondContact O-N 3.39Å; M1290-A1292 VanDerWaalsContact C-N 3.29Å; M1290-A1292 PolarHBondContact O-N 2.98Å; M1290-E1293 PolarHBondContact O-N 3.18Å; M1290-H1294 WeakPolarHBondContact O-CB 3.04Å; M1290-H1294 PolarHBondContact O-N 2.69Å
1291	V	97.1	Very high	93	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.03	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-40.3	169.6	173.9	0	0	0	0	110.8	Y1237 L1274 A1276 D1287 C1288 Y1289 H1294 L1295 V1309 F1339	Y1237-V1291 HydrophobicContact CD2-CG2 4.22Å; Y1237-V1291 HydrophobicContact CE2-CB 4.41Å; Y1237-V1291 HydrophobicContact CE2-CG2 3.46Å; Y1237-V1291 VanDerWaalsContact CE2-CG2 3.46Å; L1274-V1291 HydrophobicContact CB-CG1 4.38Å; A1276-V1291 HydrophobicContact CB-CG2 3.81Å; D1287-V1291 WeakPolarHBondContact O-CG2 3.32Å; D1287-V1291 PolarHBondContact O-N 2.82Å; C1288-V1291 PolarHBondContact O-N 2.83Å; Y1289-V1291 VanDerWaalsContact C-N 3.34Å; Y1289-V1291 PolarHBondContact O-N 2.79Å; V1291-H1294 PolarHBondContact O-N 2.82Å; V1291-L1295 WeakPolarHBondContact O-CB 3.23Å; V1291-L1295 PolarHBondContact O-N 3.24Å; V1291-V1309 HydrophobicContact CG1-CG1 4.04Å; V1291-V1309 HydrophobicContact CG1-CG2 4.37Å; V1291-F1339 HydrophobicContact CB-CE1 4.49Å; V1291-F1339 HydrophobicContact CB-CZ 4Å; V1291-F1339 HydrophobicContact CG1-CE1 3.9Å; V1291-F1339 HydrophobicContact CG1-CZ 3.82Å
1292	A	96.4	Very high	92.8	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.017	9%	0.088	C	C	.	.	H	α-helix	trans	-66.4	-43.6	176.4	0	0	0	0	0	112.3	M1094 C1288 Y1289 M1290 H1294 L1295 L1296 F1339 L1342	M1094-A1292 HydrophobicContact CE-CB 3.98Å; M1094-A1292 HydrophobicContact CG-CB 4.16Å; C1288-A1292 PolarHBondContact O-N 2.89Å; C1288-A1292 VanDerWaalsContact O-N 3.12Å; Y1289-A1292 CarbonylContact O-C 3.48Å; Y1289-A1292 WeakPolarHBondContact O-CA 3.3Å; Y1289-A1292 VanDerWaalsContact O-CB 3.3Å; Y1289-A1292 WeakPolarHBondContact O-CB 3.33Å; Y1289-A1292 PolarHBondContact O-N 2.91Å; M1290-A1292 VanDerWaalsContact C-N 3.29Å; M1290-A1292 PolarHBondContact O-N 2.98Å; A1292-H1294 VanDerWaalsContact C-N 3.34Å; A1292-H1294 PolarHBondContact O-N 3.38Å; A1292-L1295 PolarHBondContact O-N 3.22Å; A1292-L1296 VanDerWaalsContact O-CG 3.31Å; A1292-L1296 WeakPolarHBondContact O-CG 3.45Å; A1292-L1296 PolarHBondContact O-N 3.23Å; A1292-F1339 HydrophobicContact CB-CE1 4.1Å; A1292-F1339 HydrophobicContact CB-CZ 4.08Å; A1292-L1342 HydrophobicContact CB-CD2 3.65Å
1293	E	95.1	Very high	92.5	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-59.5	-43.3	173	-76	-70	146.1	0	0	111.9	F1056 R1059 L1063 R1091 Y1289 M1290 L1296 W1297	F1056-E1293 HydrophobicContact CE2-CB 4.14Å; F1056-E1293 HydrophobicContact CZ-CB 4.09Å; R1059-E1293 IonicContact CZ-OE2 3.75Å; R1059-E1293 IonicContact NE-OE2 3.5Å; R1059-E1293 PolarHBondContact NE-OE2 3.03Å; R1059-E1293 IonicContact NH2-OE2 2.68Å; R1059-E1293 PolarHBondContact NH2-OE2 3.13Å; L1063-E1293 HydrophobicContact CD1-CB 4.02Å; L1063-E1293 HydrophobicContact CD1-CG 3.86Å; R1091-E1293 WeakPolarHBondContact CD-OE1 3.1Å; R1091-E1293 VanDerWaalsContact CG-OE1 3.26Å; R1091-E1293 WeakPolarHBondContact CG-OE1 3.32Å; R1091-E1293 IonicContact NE-OE1 2.78Å; R1091-E1293 PolarHBondContact NE-OE1 3.32Å; R1091-E1293 IonicContact NE-OE2 3.76Å; R1091-E1293 PolarHBondContact NE-OE2 2.77Å; Y1289-E1293 HydrophobicContact CD1-CG 4.11Å; Y1289-E1293 HydrophobicContact CE1-CG 3.5Å; Y1289-E1293 VanDerWaalsContact CE1-CG 3.5Å; Y1289-E1293 VanDerWaalsContact CZ-OE1 3.25Å; Y1289-E1293 PolarHBondContact O-N 2.76Å; Y1289-E1293 PolarHBondContact OH-OE1 3.32Å; M1290-E1293 PolarHBondContact O-N 3.18Å; E1293-L1296 PolarHBondContact O-N 2.69Å; E1293-W1297 WeakPolarHBondContact O-CB 3.45Å; E1293-W1297 PolarHBondContact O-N 3.23Å
1294	H	96.1	Very high	92.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.6	-40.6	178.3	-161.5	174.7	0	0	0	111.7	F1056 Y1237 L1258 L1274 M1290 V1291 A1292 W1297 L1298	F1056-H1294 HydrophobicContact CD1-CB 3.97Å; F1056-H1294 AromaticContact CD1-CD2 3.43Å; F1056-H1294 VanDerWaalsContact CD1-CD2 3.43Å; F1056-H1294 WeakPolarHBondContact CD1-CD2 3.23Å; F1056-H1294 AromaticContact CD1-CE1 3.73Å; F1056-H1294 AromaticContact CD1-CG 3.45Å; F1056-H1294 VanDerWaalsContact CD1-CG 3.45Å; F1056-H1294 AromaticContact CD1-ND1 3.66Å; F1056-H1294 AromaticContact CD1-NE2 3.66Å; F1056-H1294 HydrophobicContact CD2-CB 4.28Å; F1056-H1294 AromaticContact CD2-CD2 3.77Å; F1056-H1294 HydrophobicContact CE1-CB 3.59Å; F1056-H1294 AromaticContact CE1-CG 3.59Å; F1056-H1294 AromaticContact CE1-ND1 3.89Å; F1056-H1294 HydrophobicContact CE2-CB 3.91Å; F1056-H1294 HydrophobicContact CG-CB 4.3Å; F1056-H1294 AromaticContact CG-CD2 3.28Å; F1056-H1294 WeakPolarHBondContact CG-CD2 3.39Å; F1056-H1294 AromaticContact CG-CG 3.76Å; F1056-H1294 AromaticContact CG-NE2 3.65Å; F1056-H1294 VanDerWaalsContact CZ-CA 3.5Å; F1056-H1294 HydrophobicContact CZ-CB 3.54Å; F1056-H1294 AromaticContact CZ-CG 4Å; Y1237-H1294 HydrophobicContact CE1-CB 4.1Å; Y1237-H1294 AromaticContact CE1-ND1 3.55Å; Y1237-H1294 AromaticContact CZ-ND1 3.69Å; Y1237-H1294 PolarHBondContact OH-ND1 3.09Å; L1258-H1294 PolarHBondContact O-CE1 2.84Å; L1258-H1294 VanDerWaalsContact O-CE1 3.32Å; L1274-H1294 HydrophobicContact CD1-CB 4.34Å; M1290-H1294 WeakPolarHBondContact O-CB 3.04Å; M1290-H1294 PolarHBondContact O-N 2.69Å; V1291-H1294 PolarHBondContact O-N 2.82Å; A1292-H1294 VanDerWaalsContact C-N 3.34Å; A1292-H1294 PolarHBondContact O-N 3.38Å; H1294-W1297 WeakPolarHBondContact O-CB 3.23Å; H1294-W1297 PolarHBondContact O-N 3Å; H1294-L1298 VanDerWaalsContact O-CG 3.29Å; H1294-L1298 WeakPolarHBondContact O-CG 3.39Å; H1294-L1298 PolarHBondContact O-N 2.97Å
1295	L	94.9	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.1	-50.7	173.7	172.3	67	0	0	0	111.4	L1274 V1291 A1292 W1297 L1298 Q1299 Y1307 V1309 A1343 I1346	L1274-L1295 HydrophobicContact CD1-CB 4.01Å; V1291-L1295 WeakPolarHBondContact O-CB 3.23Å; V1291-L1295 PolarHBondContact O-N 3.24Å; A1292-L1295 PolarHBondContact O-N 3.22Å; L1295-W1297 VanDerWaalsContact C-N 3.29Å; L1295-W1297 PolarHBondContact O-N 3.42Å; L1295-L1298 PolarHBondContact O-N 2.75Å; L1295-Q1299 HydrophobicContact CD1-CG 4.2Å; L1295-Q1299 WeakPolarHBondContact O-CG 3.36Å; L1295-Q1299 PolarHBondContact O-N 2.6Å; L1295-Y1307 HydrophobicContact CD1-CD1 4.17Å; L1295-Y1307 HydrophobicContact CD1-CD2 4.48Å; L1295-Y1307 HydrophobicContact CD1-CG 3.79Å; L1295-V1309 HydrophobicContact CD2-CG2 4.28Å; L1295-A1343 HydrophobicContact CD2-CB 3.93Å; L1295-I1346 HydrophobicContact CD1-CG2 4.37Å; L1295-I1346 HydrophobicContact CD2-CD1 3.55Å; L1295-I1346 HydrophobicContact CD2-CG2 4.46Å
1296	L	91.1	Very high	91.7	Very high	39 Å²	39	28.9 Å²	28.9	20%	0.204	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-39.4	179.9	-68.5	174.1	0	0	0	111.2	R1091 A1292 E1293 Q1299 Q1300	R1091-L1296 HydrophobicContact CG-CD1 3.82Å; A1292-L1296 VanDerWaalsContact O-CG 3.31Å; A1292-L1296 WeakPolarHBondContact O-CG 3.45Å; A1292-L1296 PolarHBondContact O-N 3.23Å; E1293-L1296 PolarHBondContact O-N 2.69Å; L1296-Q1299 PolarHBondContact O-N 3.36Å; L1296-Q1300 WeakPolarHBondContact O-CB 3.2Å; L1296-Q1300 PolarHBondContact O-N 2.63Å
1297	W	91.4	Very high	91.6	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-56.9	-51.8	172.3	173.8	-89.1	0	0	0	111.7	M1053 T1055 F1056 R1059 D1262 E1293 H1294 L1295 Q1299 Q1300 H1301	M1053-W1297 HydrophobicContact CB-CH2 3.44Å; M1053-W1297 VanDerWaalsContact CB-CH2 3.44Å; M1053-W1297 HydrophobicContact CB-CZ3 3.9Å; M1053-W1297 HydrophobicContact CE-CZ3 4.07Å; M1053-W1297 HydrophobicContact SD-CZ3 4.05Å; T1055-W1297 VanDerWaalsContact O-CZ2 3.23Å; T1055-W1297 WeakPolarHBondContact O-CZ2 3.28Å; F1056-W1297 HydrophobicContact CB-CD2 4.3Å; F1056-W1297 HydrophobicContact CB-CG 4Å; F1056-W1297 HydrophobicContact CD2-CB 3.49Å; F1056-W1297 VanDerWaalsContact CD2-CB 3.49Å; F1056-W1297 AromaticContact CD2-CD1 3.91Å; F1056-W1297 AromaticContact CD2-CD2 3.92Å; F1056-W1297 HydrophobicContact CD2-CD2 3.92Å; F1056-W1297 HydrophobicContact CD2-CE3 4.44Å; F1056-W1297 AromaticContact CD2-CG 3.47Å; F1056-W1297 HydrophobicContact CD2-CG 3.47Å; F1056-W1297 VanDerWaalsContact CD2-CG 3.47Å; F1056-W1297 HydrophobicContact CE2-CB 4Å; F1056-W1297 HydrophobicContact CE2-CG 4.42Å; F1056-W1297 HydrophobicContact CG-CB 4.47Å; F1056-W1297 HydrophobicContact CG-CG 4.17Å; R1059-W1297 HydrophobicContact CB-CD2 4.36Å; R1059-W1297 HydrophobicContact CB-CE3 3.6Å; R1059-W1297 HydrophobicContact CB-CZ3 3.7Å; R1059-W1297 HydrophobicContact CG-CE3 3.98Å; R1059-W1297 HydrophobicContact CG-CZ3 4.38Å; D1262-W1297 PolarHBondContact OD1-NE1 3.36Å; E1293-W1297 WeakPolarHBondContact O-CB 3.45Å; E1293-W1297 PolarHBondContact O-N 3.23Å; H1294-W1297 WeakPolarHBondContact O-CB 3.23Å; H1294-W1297 PolarHBondContact O-N 3Å; L1295-W1297 VanDerWaalsContact C-N 3.29Å; L1295-W1297 PolarHBondContact O-N 3.42Å; W1297-Q1299 PolarHBondContact O-N 3.45Å; W1297-Q1300 WeakPolarHBondContact O-CB 3.41Å; W1297-Q1300 PolarHBondContact O-N 3.04Å; W1297-H1301 AromaticContact CD2-CE1 3.47Å; W1297-H1301 VanDerWaalsContact CD2-CE1 3.47Å; W1297-H1301 AromaticContact CD2-ND1 3.59Å; W1297-H1301 AromaticContact CE2-CE1 3.55Å; W1297-H1301 AromaticContact CE2-CG 3.93Å; W1297-H1301 AromaticContact CE2-ND1 3.61Å; W1297-H1301 AromaticContact CE2-NE2 3.81Å; W1297-H1301 AromaticContact CE3-CE1 3.36Å; W1297-H1301 AromaticContact CE3-ND1 3.94Å; W1297-H1301 AromaticContact CG-ND1 3.94Å; W1297-H1301 AromaticContact CH2-CE1 3.37Å; W1297-H1301 WeakPolarHBondContact CH2-CE1 3.35Å; W1297-H1301 AromaticContact CH2-NE2 3.16Å; W1297-H1301 WeakPolarHBondContact CH2-NE2 3.44Å; W1297-H1301 AromaticContact CZ2-CD2 3.66Å; W1297-H1301 AromaticContact CZ2-CE1 3.51Å; W1297-H1301 AromaticContact CZ2-ND1 3.94Å; W1297-H1301 AromaticContact CZ2-NE2 3.31Å; W1297-H1301 VanDerWaalsContact CZ2-NE2 3.31Å; W1297-H1301 WeakPolarHBondContact CZ2-NE2 3.19Å; W1297-H1301 AromaticContact CZ3-CE1 3.32Å; W1297-H1301 WeakPolarHBondContact CZ3-CE1 3.34Å; W1297-H1301 AromaticContact CZ3-NE2 3.6Å; W1297-H1301 AromaticContact NE1-ND1 3.99Å; W1297-H1301 PolarHBondContact O-N 2.91Å; W1297-H1301 PolarHBondContact O-ND1 2.92Å
1298	L	91.7	Very high	91.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-41	-178.6	-63.5	172.2	0	0	0	111.9	P1261 I1272 L1274 H1294 L1295 Q1300 H1301 Y1302 Y1307	P1261-L1298 HydrophobicContact CB-CD1 3.54Å; P1261-L1298 HydrophobicContact CB-CD2 3.78Å; P1261-L1298 HydrophobicContact CB-CG 4.28Å; I1272-L1298 HydrophobicContact CG2-CD1 4.31Å; L1274-L1298 HydrophobicContact CD1-CD1 3.76Å; L1274-L1298 HydrophobicContact CD2-CD1 3.93Å; L1274-L1298 HydrophobicContact CG-CD1 4.13Å; H1294-L1298 VanDerWaalsContact O-CG 3.29Å; H1294-L1298 WeakPolarHBondContact O-CG 3.39Å; H1294-L1298 PolarHBondContact O-N 2.97Å; L1295-L1298 PolarHBondContact O-N 2.75Å; L1298-Q1300 PolarHBondContact O-N 3.4Å; L1298-H1301 PolarHBondContact O-N 3.07Å; L1298-Y1302 HydrophobicContact CB-CD2 4.36Å; L1298-Y1302 HydrophobicContact CD2-CD2 3.56Å; L1298-Y1302 HydrophobicContact CD2-CE2 3.65Å; L1298-Y1302 CarbonylContact O-C 3.51Å; L1298-Y1302 WeakPolarHBondContact O-CA 3.13Å; L1298-Y1302 PolarHBondContact O-N 2.84Å; L1298-Y1307 VanDerWaalsContact C-OH 3.25Å; L1298-Y1307 HydrophobicContact CB-CD1 4.24Å; L1298-Y1307 HydrophobicContact CB-CE1 3.39Å; L1298-Y1307 HydrophobicContact CD1-CD1 4.35Å; L1298-Y1307 HydrophobicContact CD1-CE1 3.94Å; L1298-Y1307 HydrophobicContact CG-CE1 4.29Å; L1298-Y1307 PolarHBondContact O-OH 2.98Å
1299	Q	88.5	Confident	91.6	Very high	65 Å²	65	29.4 Å²	29.4	30%	0.304	13%	0.128	S	C	.	.	H	α-helix	trans	-59.5	-34.7	175.6	-73.3	-174.4	-68.3	0	0	112.3	L1295 L1296 W1297 Y1307	L1295-Q1299 HydrophobicContact CD1-CG 4.2Å; L1295-Q1299 WeakPolarHBondContact O-CG 3.36Å; L1295-Q1299 PolarHBondContact O-N 2.6Å; L1296-Q1299 PolarHBondContact O-N 3.36Å; W1297-Q1299 PolarHBondContact O-N 3.45Å; Q1299-Y1307 HydrophobicContact CB-CE2 4.33Å; Q1299-Y1307 HydrophobicContact CG-CD2 3.53Å; Q1299-Y1307 HydrophobicContact CG-CE2 3.62Å; Q1299-Y1307 HydrophobicContact CG-CG 4.28Å
1300	Q	81.1	Confident	91.5	Very high	44 Å²	44	29.4 Å²	29.4	21%	0.206	13%	0.129	C	C	.	.	H	α-helix	trans	-73.4	-38.8	177.3	-173.5	176.8	2.4	0	0	112.9	K957 Q991 Q992 A993 T994 L1296 W1297 L1298	K957-Q1300 VanDerWaalsContact CE-O 3.31Å; K957-Q1300 WeakPolarHBondContact CE-O 3.43Å; K957-Q1300 PolarHBondContact NZ-O 3.39Å; K957-Q1300 VanDerWaalsContact NZ-O 3.08Å; Q991-Q1300 PolarHBondContact O-NE2 2.91Å; Q992-Q1300 WeakPolarHBondContact O-CG 3.36Å; A993-Q1300 PolarHBondContact O-NE2 3.43Å; T994-Q1300 HydrophobicContact CG2-CG 4.31Å; L1296-Q1300 WeakPolarHBondContact O-CB 3.2Å; L1296-Q1300 PolarHBondContact O-N 2.63Å; W1297-Q1300 WeakPolarHBondContact O-CB 3.41Å; W1297-Q1300 PolarHBondContact O-N 3.04Å; L1298-Q1300 PolarHBondContact O-N 3.4Å
1301	H	84	Confident	91.5	Very high	28 Å²	28	29.7 Å²	29.7	13%	0.13	13%	0.131	C	C	.	.	H	α-helix	trans	-97.3	-29.6	-172	-65.5	73.3	0	0	0	114	T994 W1297 L1298	T994-H1301 VanDerWaalsContact CG2-CD2 3.41Å; T994-H1301 WeakPolarHBondContact CG2-CD2 3.25Å; T994-H1301 WeakPolarHBondContact CG2-NE2 3.48Å; W1297-H1301 AromaticContact CD2-CE1 3.47Å; W1297-H1301 VanDerWaalsContact CD2-CE1 3.47Å; W1297-H1301 AromaticContact CD2-ND1 3.59Å; W1297-H1301 AromaticContact CE2-CE1 3.55Å; W1297-H1301 AromaticContact CE2-CG 3.93Å; W1297-H1301 AromaticContact CE2-ND1 3.61Å; W1297-H1301 AromaticContact CE2-NE2 3.81Å; W1297-H1301 AromaticContact CE3-CE1 3.36Å; W1297-H1301 AromaticContact CE3-ND1 3.94Å; W1297-H1301 AromaticContact CG-ND1 3.94Å; W1297-H1301 AromaticContact CH2-CE1 3.37Å; W1297-H1301 WeakPolarHBondContact CH2-CE1 3.35Å; W1297-H1301 AromaticContact CH2-NE2 3.16Å; W1297-H1301 WeakPolarHBondContact CH2-NE2 3.44Å; W1297-H1301 AromaticContact CZ2-CD2 3.66Å; W1297-H1301 AromaticContact CZ2-CE1 3.51Å; W1297-H1301 AromaticContact CZ2-ND1 3.94Å; W1297-H1301 AromaticContact CZ2-NE2 3.31Å; W1297-H1301 VanDerWaalsContact CZ2-NE2 3.31Å; W1297-H1301 WeakPolarHBondContact CZ2-NE2 3.19Å; W1297-H1301 AromaticContact CZ3-CE1 3.32Å; W1297-H1301 WeakPolarHBondContact CZ3-CE1 3.34Å; W1297-H1301 AromaticContact CZ3-NE2 3.6Å; W1297-H1301 AromaticContact NE1-ND1 3.99Å; W1297-H1301 PolarHBondContact O-N 2.91Å; W1297-H1301 PolarHBondContact O-ND1 2.92Å; L1298-H1301 PolarHBondContact O-N 3.07Å
1302	Y	88.4	Confident	91.3	Very high	27 Å²	27	29.6 Å²	29.6	11%	0.106	13%	0.13	C	C	.	.			trans	-130.5	52.3	-175.5	-45.2	-73.7	0	0	0	111.1	D1262 R1266 L1298 Q1304 S1305 Y1307	D1262-Y1302 WeakPolarHBondContact CA-OH 3.34Å; D1262-Y1302 HydrophobicContact CB-CE2 4.1Å; D1262-Y1302 VanDerWaalsContact CB-OH 3.26Å; D1262-Y1302 WeakPolarHBondContact CB-OH 3.31Å; D1262-Y1302 PolarHBondContact O-OH 2.75Å; D1262-Y1302 WeakPolarHBondContact OD1-CE2 3.34Å; D1262-Y1302 PolarHBondContact OD1-OH 3.35Å; R1266-Y1302 HydrophobicContact CG-CE1 3.63Å; R1266-Y1302 PolarHBondContact NH1-OH 2.86Å; R1266-Y1302 VanDerWaalsContact NH1-OH 3.1Å; L1298-Y1302 HydrophobicContact CB-CD2 4.36Å; L1298-Y1302 HydrophobicContact CD2-CD2 3.56Å; L1298-Y1302 HydrophobicContact CD2-CE2 3.65Å; L1298-Y1302 CarbonylContact O-C 3.51Å; L1298-Y1302 WeakPolarHBondContact O-CA 3.13Å; L1298-Y1302 PolarHBondContact O-N 2.84Å; Y1302-Q1304 PolarHBondContact O-N 2.74Å; Y1302-S1305 PolarHBondContact O-N 3.26Å; Y1302-S1305 VanDerWaalsContact O-N 3.09Å; Y1302-Y1307 WeakPolarHBondContact CB-OH 3.1Å; Y1302-Y1307 PolarHBondContact O-OH 3.31Å
1303	W	82.2	Confident	91.1	Very high	82 Å²	82	31.8 Å²	31.8	31%	0.311	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.2	-174.8	62.4	-81.9	0	0	0	115.2	V954 K957 E961 S1305	V954-W1303 HydrophobicContact CG1-CH2 3.88Å; V954-W1303 HydrophobicContact CG1-CZ3 4.45Å; K957-W1303 HydrophobicContact CB-CZ2 4.28Å; E961-W1303 PolarHBondContact OE1-NE1 3.25Å; W1303-S1305 VanDerWaalsContact C-N 3.33Å
1304	Q	84	Confident	90.9	Very high	121 Å²	121	32.8 Å²	32.8	57%	0.565	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.6	177.9	-62.5	178.8	-11.3	0	0	113.5	Y1302	Y1302-Q1304 PolarHBondContact O-N 2.74Å
1305	S	88.9	Confident	90.4	Very high	10 Å²	10	36 Å²	36	7%	0.07	16%	0.155	C	C	.	.	S	Bend	trans	-89.3	149.4	177	-63.2	0	0	0	0	111.5	I1269 Y1302 W1303 Y1307	I1269-S1305 WeakPolarHBondContact O-CB 3.4Å; I1269-S1305 PolarHBondContact O-OG 3.09Å; Y1302-S1305 PolarHBondContact O-N 3.26Å; Y1302-S1305 VanDerWaalsContact O-N 3.09Å; W1303-S1305 VanDerWaalsContact C-N 3.33Å; S1305-Y1307 WeakPolarHBondContact O-CE2 3.42Å
1306	R	92	Very high	89.8	Confident	154 Å²	154	40.5 Å²	40.5	58%	0.581	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	153.2	168	-66.2	178.2	-66.1	174.8	-2.6	110.7	D1270 K1271 I1272	D1270-R1306 PolarHBondContact O-N 3.45Å; K1271-R1306 CarbonylContact C-O 3.47Å; K1271-R1306 VanDerWaalsContact CA-O 3.28Å; K1271-R1306 WeakPolarHBondContact CA-O 3.46Å; I1272-R1306 PolarHBondContact N-O 2.7Å
1307	Y	95	Very high	89.3	Confident	17 Å²	17	40 Å²	40	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.9	-176.4	-61.4	-77.1	0	0	0	113	I1272 L1295 L1298 Q1299 Y1302 S1305 E1347	I1272-Y1307 HydrophobicContact CB-CD1 4.18Å; I1272-Y1307 HydrophobicContact CB-CE1 4.15Å; I1272-Y1307 HydrophobicContact CD1-CE1 4.26Å; I1272-Y1307 WeakPolarHBondContact O-CA 3.27Å; L1295-Y1307 HydrophobicContact CD1-CD1 4.17Å; L1295-Y1307 HydrophobicContact CD1-CD2 4.48Å; L1295-Y1307 HydrophobicContact CD1-CG 3.79Å; L1298-Y1307 VanDerWaalsContact C-OH 3.25Å; L1298-Y1307 HydrophobicContact CB-CD1 4.24Å; L1298-Y1307 HydrophobicContact CB-CE1 3.39Å; L1298-Y1307 HydrophobicContact CD1-CD1 4.35Å; L1298-Y1307 HydrophobicContact CD1-CE1 3.94Å; L1298-Y1307 HydrophobicContact CG-CE1 4.29Å; L1298-Y1307 PolarHBondContact O-OH 2.98Å; Q1299-Y1307 HydrophobicContact CB-CE2 4.33Å; Q1299-Y1307 HydrophobicContact CG-CD2 3.53Å; Q1299-Y1307 HydrophobicContact CG-CE2 3.62Å; Q1299-Y1307 HydrophobicContact CG-CG 4.28Å; Y1302-Y1307 WeakPolarHBondContact CB-OH 3.1Å; Y1302-Y1307 PolarHBondContact O-OH 3.31Å; S1305-Y1307 WeakPolarHBondContact O-CE2 3.42Å; Y1307-E1347 PolarHBondContact O-N 3.44Å
1308	S	95	Very high	88.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.3	169.6	59	0	0	0	0	111.4	K1271 I1272 G1273 L1274 E1347	K1271-S1308 VanDerWaalsContact CE-OG 3.31Å; K1271-S1308 WeakPolarHBondContact CE-OG 3.47Å; I1272-S1308 PolarHBondContact O-N 2.74Å; G1273-S1308 CarbonylContact C-O 3.54Å; G1273-S1308 WeakPolarHBondContact CA-O 3.06Å; G1273-S1308 VanDerWaalsContact CA-OG 3.26Å; G1273-S1308 WeakPolarHBondContact CA-OG 3.27Å; L1274-S1308 PolarHBondContact N-O 3.27Å; S1308-E1347 CarbonylContact C-O 3.39Å; S1308-E1347 WeakPolarHBondContact CA-O 3.45Å; S1308-E1347 WeakPolarHBondContact CB-O 3.43Å
1309	V	97.1	Very high	88	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.5	174.8	175.2	0	0	0	0	109.1	L1274 V1291 L1295 F1311 F1339 I1346 E1347 L1348 S1349	L1274-V1309 WeakPolarHBondContact O-CA 3.39Å; V1291-V1309 HydrophobicContact CG1-CG1 4.04Å; V1291-V1309 HydrophobicContact CG1-CG2 4.37Å; L1295-V1309 HydrophobicContact CD2-CG2 4.28Å; V1309-F1311 HydrophobicContact CB-CZ 4.48Å; V1309-F1311 HydrophobicContact CG1-CE1 3.95Å; V1309-F1311 HydrophobicContact CG1-CE2 4.21Å; V1309-F1311 HydrophobicContact CG1-CZ 3.75Å; V1309-F1339 HydrophobicContact CB-CD1 4.46Å; V1309-F1339 HydrophobicContact CG1-CD1 4.13Å; V1309-F1339 HydrophobicContact CG1-CE1 4.02Å; V1309-F1339 HydrophobicContact CG1-CZ 4.47Å; V1309-F1339 HydrophobicContact CG2-CD1 4.23Å; V1309-F1339 HydrophobicContact CG2-CE1 4.18Å; V1309-I1346 HydrophobicContact CB-CD1 4.26Å; V1309-I1346 HydrophobicContact CG2-CD1 3.73Å; V1309-E1347 PolarHBondContact N-O 3.32Å; V1309-L1348 HydrophobicContact CB-CD2 4.05Å; V1309-S1349 PolarHBondContact O-N 3.14Å
1310	S	95.1	Very high	87.4	Confident	9 Å²	9	45 Å²	45	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.2	173.8	-60.3	0	0	0	0	110.6	Y1233 L1274 P1312	Y1233-S1310 VanDerWaalsContact OH-CB 3.31Å; Y1233-S1310 WeakPolarHBondContact OH-CB 3.49Å; Y1233-S1310 PolarHBondContact OH-OG 3.08Å; L1274-S1310 PolarHBondContact O-N 3.11Å; S1310-P1312 WeakPolarHBondContact O-CD 3.49Å
1311	F	95.5	Very high	87.6	Confident	9 Å²	9	45.9 Å²	45.9	4%	0.039	24%	0.244	C	C	.	.			trans	-117.1	59.3	-179	-53.4	-87.8	0	0	0	112.1	I1278 V1309 R1313 L1332 T1335 I1336 F1339 L1348	I1278-F1311 HydrophobicContact CD1-CB 4.31Å; V1309-F1311 HydrophobicContact CB-CZ 4.48Å; V1309-F1311 HydrophobicContact CG1-CE1 3.95Å; V1309-F1311 HydrophobicContact CG1-CE2 4.21Å; V1309-F1311 HydrophobicContact CG1-CZ 3.75Å; F1311-R1313 PolarHBondContact O-N 3.04Å; F1311-L1332 HydrophobicContact CB-CD1 3.85Å; F1311-L1332 HydrophobicContact CG-CD1 4.42Å; F1311-T1335 HydrophobicContact CD1-CG2 4.13Å; F1311-T1335 HydrophobicContact CE1-CG2 3.95Å; F1311-I1336 HydrophobicContact CD1-CG1 4.31Å; F1311-I1336 HydrophobicContact CD2-CD1 4.46Å; F1311-I1336 HydrophobicContact CD2-CG1 3.8Å; F1311-I1336 HydrophobicContact CE1-CG1 4.34Å; F1311-I1336 HydrophobicContact CE2-CG1 3.84Å; F1311-I1336 HydrophobicContact CG-CG1 4.04Å; F1311-I1336 HydrophobicContact CZ-CG1 4.11Å; F1311-F1339 AromaticContact CE1-CD2 3.68Å; F1311-F1339 HydrophobicContact CE1-CD2 3.68Å; F1311-F1339 HydrophobicContact CE1-CE2 4.03Å; F1311-F1339 HydrophobicContact CE1-CG 4.08Å; F1311-F1339 HydrophobicContact CZ-CB 4.02Å; F1311-F1339 HydrophobicContact CZ-CD2 4.05Å; F1311-F1339 AromaticContact CZ-CG 3.98Å; F1311-F1339 HydrophobicContact CZ-CG 3.98Å; F1311-L1348 HydrophobicContact CE2-CB 4.29Å; F1311-L1348 HydrophobicContact CE2-CD2 4.02Å; F1311-L1348 HydrophobicContact CZ-CD2 4.05Å
1312	P	93	Very high	87.7	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.019	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-71.6	120.8	-177.3	30.3	-33.2	0	0	0	110.7	Y1233 L1277 I1278 S1310	Y1233-P1312 HydrophobicContact CD2-CG 4.22Å; Y1233-P1312 HydrophobicContact CE2-CG 4.12Å; L1277-P1312 HydrophobicContact CD1-CB 4.12Å; L1277-P1312 HydrophobicContact CD1-CG 4.41Å; I1278-P1312 PolarHBondContact N-O 2.93Å; S1310-P1312 WeakPolarHBondContact O-CD 3.49Å
1313	R	93.4	Very high	87.5	Confident	47 Å²	47	53.8 Å²	53.8	18%	0.177	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-83.3	148	165.1	-62.7	-169.4	-70.2	178.1	-3.7	110.9	I1278 F1311 R1315 M1327 R1353 E1354	I1278-R1313 HydrophobicContact CB-CG 4.28Å; I1278-R1313 HydrophobicContact CG2-CG 4.42Å; F1311-R1313 PolarHBondContact O-N 3.04Å; R1313-R1315 PolarHBondContact O-N 3.38Å; R1313-M1327 PolarHBondContact NH1-O 2.92Å; R1313-R1353 PolarHBondContact O-NH1 3.35Å; R1313-R1353 VanDerWaalsContact O-NH1 3.09Å; R1313-E1354 IonicContact CZ-OE1 3.85Å; R1313-E1354 IonicContact CZ-OE2 2.82Å; R1313-E1354 IonicContact NE-OE1 3.75Å; R1313-E1354 PolarHBondContact NE-OE1 3.29Å; R1313-E1354 IonicContact NE-OE2 3.47Å; R1313-E1354 PolarHBondContact NE-OE2 3.27Å; R1313-E1354 IonicContact NH2-OE1 3.87Å; R1313-E1354 IonicContact NH2-OE2 3.92Å; R1313-E1354 PolarHBondContact NH2-OE2 2.87Å
1314	L	90	Very high	87.8	Confident	23 Å²	23	53 Å²	53	12%	0.12	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-57.9	136	173.8	-170.6	66.1	0	0	0	110.4	L1277 I1278 L1280 I1321 P1323	L1277-L1314 HydrophobicContact CD2-CD1 3.71Å; L1277-L1314 HydrophobicContact CG-CD1 4.16Å; I1278-L1314 PolarHBondContact O-N 3.48Å; L1280-L1314 HydrophobicContact CD2-CD1 4.39Å; L1280-L1314 HydrophobicContact CD2-CD2 4.49Å; L1314-I1321 HydrophobicContact CD2-CG1 4.04Å; L1314-P1323 HydrophobicContact CB-CG 4.48Å; L1314-P1323 HydrophobicContact CD2-CB 4.3Å; L1314-P1323 HydrophobicContact CD2-CG 4.09Å
1315	R	86.8	Confident	87.9	Confident	69 Å²	69	47.9 Å²	47.9	26%	0.26	28%	0.275	S	S	.	.			trans	-126.8	151.7	179.9	-71.4	-67	-66.8	174.7	-4.8	110.1	R1313 C1317 R1353 F1391	R1313-R1315 PolarHBondContact O-N 3.38Å; R1315-C1317 PolarHBondContact O-N 3.34Å; R1315-R1353 HydrophobicContact CG-CB 4.17Å; R1315-R1353 HydrophobicContact CG-CG 4.17Å; R1315-F1391 HydrophobicContact CB-CB 4.37Å; R1315-F1391 HydrophobicContact CB-CD2 4.49Å
1316	P	82.3	Confident	87.8	Confident	95 Å²	95	54.3 Å²	54.3	62%	0.617	31%	0.307	S	S	*	.			trans	-55.9	138.1	175	-24.6	34.4	0	0	0	112.1
1317	C	80.9	Confident	87.8	Confident	29 Å²	29	47.4 Å²	47.4	20%	0.196	28%	0.281	C	S	.	.			trans	-150.3	168.3	176.1	70.7	0	0	0	0	110.2	Y1143 R1315 G1319 G1320 Q1390	Y1143-C1317 PolarHBondContact O-SG 3.21Å; R1315-C1317 PolarHBondContact O-N 3.34Å; C1317-G1319 PolarHBondContact O-N 2.9Å; C1317-G1320 PolarHBondContact O-N 2.75Å; C1317-G1320 VanDerWaalsContact SG-CA 3.56Å; C1317-Q1390 VanDerWaalsContact CB-O 3.29Å; C1317-Q1390 WeakPolarHBondContact CB-O 3.44Å
1318	T	77.9	Confident	87.7	Confident	86 Å²	86	50 Å²	50	53%	0.528	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	119.6	174.9	-58.1	0	0	0	0	110.4	N1150 I1152 G1320	N1150-T1318 PolarHBondContact ND2-O 3.21Å; I1152-T1318 HydrophobicContact CG2-CG2 4.37Å; T1318-G1320 VanDerWaalsContact C-N 3.27Å; T1318-G1320 PolarHBondContact O-N 3.21Å
1319	G	76.2	Confident	87.6	Confident	56 Å²	56	53.5 Å²	53.5	58%	0.577	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	10.3	-178.3	0	0	0	0	0	115	C1317	C1317-G1319 PolarHBondContact O-N 2.9Å
1320	G	76.2	Confident	87.5	Confident	36 Å²	36	61.3 Å²	61.3	37%	0.371	34%	0.342	S	S	.	.			trans	-67.2	172	-178.3	0	0	0	0	0	114.7	C1317 T1318	C1317-G1320 PolarHBondContact O-N 2.75Å; C1317-G1320 VanDerWaalsContact SG-CA 3.56Å; T1318-G1320 VanDerWaalsContact C-N 3.27Å; T1318-G1320 PolarHBondContact O-N 3.21Å
1321	I	85.7	Confident	87.6	Confident	61 Å²	61	62.8 Å²	62.8	31%	0.313	35%	0.348	S	S	.	.			trans	-115.3	162	-178.3	58.2	173.6	0	0	0	111.3	H1245 L1280 L1314	H1245-I1321 WeakPolarHBondContact CE1-CD1 3.4Å; H1245-I1321 WeakPolarHBondContact ND1-CD1 3.3Å; L1280-I1321 HydrophobicContact CD2-CD1 4.01Å; L1314-I1321 HydrophobicContact CD2-CG1 4.04Å
1322	E	85.5	Confident	87.6	Confident	172 Å²	172	62.3 Å²	62.3	80%	0.804	35%	0.346	S	S	*	.			trans	-73.2	142.9	166.6	-67.5	-59.1	144.4	0	0	110.8
1323	P	85.8	Confident	87.8	Confident	49 Å²	49	63.3 Å²	63.3	32%	0.318	35%	0.352	S	S	.	.			trans	-63.1	134	176.6	-17.4	28.4	0	0	0	112.6	G1279 L1314	G1279-P1323 CarbonylContact O-C 3.54Å; G1279-P1323 WeakPolarHBondContact O-CA 3.07Å; L1314-P1323 HydrophobicContact CB-CG 4.48Å; L1314-P1323 HydrophobicContact CD2-CB 4.3Å; L1314-P1323 HydrophobicContact CD2-CG 4.09Å
1324	A	86.7	Confident	87.9	Confident	66 Å²	66	61.3 Å²	61.3	55%	0.545	34%	0.344	S	S	.	.	S	Bend	trans	-71.6	-27.4	174.2	0	0	0	0	0	113.2	G1279 L1280	G1279-A1324 PolarHBondContact O-N 3.08Å; L1280-A1324 WeakPolarHBondContact O-CB 3.47Å
1325	S	87.4	Confident	88.3	Confident	14 Å²	14	60.2 Å²	60.2	10%	0.098	34%	0.338	C	S	.	.	S	Bend	trans	-134.7	133.1	169.3	59.4	0	0	0	0	110.8	G1279 S1281	G1279-S1325 VanDerWaalsContact CA-O 3.31Å; G1279-S1325 WeakPolarHBondContact CA-O 3.36Å; S1281-S1325 VanDerWaalsContact O-CB 3.3Å; S1281-S1325 WeakPolarHBondContact O-CB 3.48Å; S1281-S1325 PolarHBondContact O-N 3.34Å; S1281-S1325 PolarHBondContact O-OG 3.41Å
1326	I	85.9	Confident	88.8	Confident	144 Å²	144	57 Å²	57	74%	0.738	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-97.4	117	179.1	-59.9	176	0	0	0	108.2
1327	M	93	Very high	89.5	Confident	9 Å²	9	52.5 Å²	52.5	4%	0.044	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-95.9	116.6	171.3	179.3	-172.5	-80.9	0	0	109.8	I1278 W1284 R1313 Q1331 L1332	I1278-M1327 HydrophobicContact CD1-CE 3.89Å; I1278-M1327 HydrophobicContact CD1-SD 3.96Å; I1278-M1327 HydrophobicContact CG1-CE 4.37Å; I1278-M1327 HydrophobicContact CG2-CB 3.8Å; I1278-M1327 HydrophobicContact CG2-CE 3.74Å; I1278-M1327 HydrophobicContact CG2-CG 4.49Å; I1278-M1327 HydrophobicContact CG2-SD 3.94Å; W1284-M1327 HydrophobicContact CB-CE 4.01Å; W1284-M1327 HydrophobicContact CD2-CE 3.29Å; W1284-M1327 HydrophobicContact CE3-CE 3.13Å; W1284-M1327 HydrophobicContact CG-CE 3.71Å; W1284-M1327 HydrophobicContact CH2-CE 4.3Å; W1284-M1327 HydrophobicContact CZ2-CE 4.43Å; W1284-M1327 HydrophobicContact CZ3-CE 3.69Å; R1313-M1327 PolarHBondContact NH1-O 2.92Å; M1327-Q1331 HydrophobicContact CG-CB 3.74Å; M1327-L1332 HydrophobicContact CG-CB 4.28Å; M1327-L1332 HydrophobicContact SD-CB 3.73Å; M1327-L1332 HydrophobicContact SD-CD1 3.78Å; M1327-L1332 HydrophobicContact SD-CG 4.3Å
1328	D	92.8	Very high	90.3	Very high	71 Å²	71	51.1 Å²	51.1	38%	0.38	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-75	170.9	173.7	71.3	44.1	0	0	0	112.4	R1330 Q1331 L1332	D1328-R1330 VanDerWaalsContact C-N 3.32Å; D1328-R1330 PolarHBondContact O-N 2.85Å; D1328-R1330 WeakPolarHBondContact OD1-CA 3.28Å; D1328-R1330 WeakPolarHBondContact OD1-CB 3.43Å; D1328-R1330 PolarHBondContact OD1-N 3.15Å; D1328-Q1331 PolarHBondContact O-N 3.41Å; D1328-Q1331 WeakPolarHBondContact OD1-CG 3.37Å; D1328-Q1331 PolarHBondContact OD1-N 3.35Å; D1328-Q1331 PolarHBondContact OD2-NE2 3.32Å; D1328-L1332 PolarHBondContact O-N 3.07Å
1329	E	93.6	Very high	91.2	Very high	74 Å²	74	47 Å²	47	35%	0.346	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-31.1	-178.4	-66.8	-176.7	153.9	0	0	113.3	L1332 V1333 W1357 F1358	E1329-L1332 PolarHBondContact O-N 3.22Å; E1329-V1333 WeakPolarHBondContact O-CG2 3.44Å; E1329-V1333 PolarHBondContact O-N 3.01Å; E1329-W1357 VanDerWaalsContact OE2-CZ3 3.3Å; E1329-W1357 WeakPolarHBondContact OE2-CZ3 3.28Å; E1329-F1358 HydrophobicContact CB-CD2 3.93Å; E1329-F1358 HydrophobicContact CB-CE2 3.79Å; E1329-F1358 HydrophobicContact CG-CD2 3.81Å; E1329-F1358 HydrophobicContact CG-CE2 4.08Å
1330	R	94.5	Very high	92.1	Very high	165 Å²	165	44.4 Å²	44.4	62%	0.623	24%	0.236	S	C	*	.	H	α-helix	trans	-69.7	-42.2	178.1	-65.6	179.3	66.8	169.8	-0.8	110.7	L1106 D1328 L1332 V1333 Q1334	L1106-R1330 HydrophobicContact CD2-CB 4.29Å; D1328-R1330 VanDerWaalsContact C-N 3.32Å; D1328-R1330 PolarHBondContact O-N 2.85Å; D1328-R1330 WeakPolarHBondContact OD1-CA 3.28Å; D1328-R1330 WeakPolarHBondContact OD1-CB 3.43Å; D1328-R1330 PolarHBondContact OD1-N 3.15Å; R1330-L1332 VanDerWaalsContact C-N 3.34Å; R1330-V1333 PolarHBondContact O-N 2.76Å; R1330-Q1334 PolarHBondContact O-N 3.42Å
1331	Q	95.9	Very high	93.1	Very high	40 Å²	40	42.9 Å²	42.9	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-38	176.3	-68.8	173.1	0.5	0	0	111.6	W1284 M1327 D1328 Q1334 T1335	W1284-Q1331 HydrophobicContact CH2-CB 4.12Å; W1284-Q1331 HydrophobicContact CZ2-CB 3.68Å; W1284-Q1331 HydrophobicContact CZ2-CG 3.84Å; M1327-Q1331 HydrophobicContact CG-CB 3.74Å; D1328-Q1331 PolarHBondContact O-N 3.41Å; D1328-Q1331 WeakPolarHBondContact OD1-CG 3.37Å; D1328-Q1331 PolarHBondContact OD1-N 3.35Å; D1328-Q1331 PolarHBondContact OD2-NE2 3.32Å; Q1331-Q1334 PolarHBondContact O-N 2.87Å; Q1331-T1335 WeakPolarHBondContact O-CB 3.06Å; Q1331-T1335 PolarHBondContact O-N 2.94Å; Q1331-T1335 PolarHBondContact O-OG1 3.16Å
1332	L	96.1	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-43.8	173.7	-177	54.9	0	0	0	111.6	F1311 M1327 D1328 E1329 R1330 T1335 I1336 F1358	F1311-L1332 HydrophobicContact CB-CD1 3.85Å; F1311-L1332 HydrophobicContact CG-CD1 4.42Å; M1327-L1332 HydrophobicContact CG-CB 4.28Å; M1327-L1332 HydrophobicContact SD-CB 3.73Å; M1327-L1332 HydrophobicContact SD-CD1 3.78Å; M1327-L1332 HydrophobicContact SD-CG 4.3Å; D1328-L1332 PolarHBondContact O-N 3.07Å; E1329-L1332 PolarHBondContact O-N 3.22Å; R1330-L1332 VanDerWaalsContact C-N 3.34Å; L1332-T1335 PolarHBondContact O-N 2.89Å; L1332-I1336 HydrophobicContact CD1-CD1 3.95Å; L1332-I1336 HydrophobicContact CD1-CG1 4.23Å; L1332-I1336 HydrophobicContact CG-CD1 3.89Å; L1332-I1336 VanDerWaalsContact O-CG1 3.28Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.3Å; L1332-I1336 PolarHBondContact O-N 3.25Å; L1332-F1358 HydrophobicContact CB-CZ 4.17Å; L1332-F1358 HydrophobicContact CD2-CE1 3.51Å; L1332-F1358 HydrophobicContact CD2-CZ 3.54Å; L1332-F1358 HydrophobicContact CG-CE1 4.17Å; L1332-F1358 HydrophobicContact CG-CZ 3.8Å
1333	V	96.9	Very high	93.8	Very high	23 Å²	23	33 Å²	33	14%	0.139	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-45.8	174.1	173.2	0	0	0	0	111.2	L1106 E1329 R1330 T1335 I1336 C1337 F1358 V1362 L1365	L1106-V1333 HydrophobicContact CD1-CG1 4.09Å; E1329-V1333 WeakPolarHBondContact O-CG2 3.44Å; E1329-V1333 PolarHBondContact O-N 3.01Å; R1330-V1333 PolarHBondContact O-N 2.76Å; V1333-T1335 VanDerWaalsContact C-N 3.31Å; V1333-T1335 PolarHBondContact O-N 3.31Å; V1333-I1336 PolarHBondContact O-N 3.03Å; V1333-C1337 WeakPolarHBondContact O-CB 3.18Å; V1333-C1337 PolarHBondContact O-N 2.92Å; V1333-C1337 PolarHBondContact O-SG 3.39Å; V1333-F1358 HydrophobicContact CG2-CE2 3.9Å; V1333-F1358 HydrophobicContact CG2-CZ 4.12Å; V1333-V1362 HydrophobicContact CG2-CG2 4.31Å; V1333-L1365 HydrophobicContact CG1-CD1 4.4Å
1334	Q	97.1	Very high	94.1	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-55	-48.3	176.5	-177.5	-175.8	-25	0	0	111.2	L1097 L1098 S1099 L1106 L1109 R1330 Q1331 C1337 A1338	L1097-Q1334 PolarHBondContact O-NE2 2.98Å; L1098-Q1334 PolarHBondContact O-NE2 3.05Å; S1099-Q1334 PolarHBondContact O-NE2 3.14Å; L1106-Q1334 HydrophobicContact CD1-CB 3.76Å; L1106-Q1334 HydrophobicContact CD1-CG 4.43Å; L1109-Q1334 HydrophobicContact CD1-CG 4.41Å; R1330-Q1334 PolarHBondContact O-N 3.42Å; Q1331-Q1334 PolarHBondContact O-N 2.87Å; Q1334-C1337 PolarHBondContact O-N 3.36Å; Q1334-A1338 WeakPolarHBondContact O-CB 3.42Å; Q1334-A1338 PolarHBondContact O-N 3.45Å
1335	T	96.9	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-49	-179.6	-54.8	0	0	0	0	111.1	L1098 W1284 C1288 F1311 Q1331 L1332 V1333 C1337 A1338 F1339	L1098-T1335 HydrophobicContact CD2-CG2 4.2Å; W1284-T1335 WeakPolarHBondContact CZ3-OG1 3.39Å; C1288-T1335 HydrophobicContact CB-CG2 4.12Å; F1311-T1335 HydrophobicContact CD1-CG2 4.13Å; F1311-T1335 HydrophobicContact CE1-CG2 3.95Å; Q1331-T1335 WeakPolarHBondContact O-CB 3.06Å; Q1331-T1335 PolarHBondContact O-N 2.94Å; Q1331-T1335 PolarHBondContact O-OG1 3.16Å; L1332-T1335 PolarHBondContact O-N 2.89Å; V1333-T1335 VanDerWaalsContact C-N 3.31Å; V1333-T1335 PolarHBondContact O-N 3.31Å; T1335-C1337 VanDerWaalsContact C-N 3.32Å; T1335-C1337 PolarHBondContact O-N 3.44Å; T1335-A1338 PolarHBondContact O-N 2.87Å; T1335-F1339 HydrophobicContact CG2-CD2 4.01Å; T1335-F1339 HydrophobicContact CG2-CE2 4.02Å; T1335-F1339 WeakPolarHBondContact O-CD2 3.48Å; T1335-F1339 PolarHBondContact O-N 3.23Å
1336	I	97.5	Very high	94.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-44.5	178.6	-69.6	165.2	0	0	0	110.7	F1311 L1332 V1333 F1339 R1340 L1348 V1362 A1366 I1367	F1311-I1336 HydrophobicContact CD1-CG1 4.31Å; F1311-I1336 HydrophobicContact CD2-CD1 4.46Å; F1311-I1336 HydrophobicContact CD2-CG1 3.8Å; F1311-I1336 HydrophobicContact CE1-CG1 4.34Å; F1311-I1336 HydrophobicContact CE2-CG1 3.84Å; F1311-I1336 HydrophobicContact CG-CG1 4.04Å; F1311-I1336 HydrophobicContact CZ-CG1 4.11Å; L1332-I1336 HydrophobicContact CD1-CD1 3.95Å; L1332-I1336 HydrophobicContact CD1-CG1 4.23Å; L1332-I1336 HydrophobicContact CG-CD1 3.89Å; L1332-I1336 VanDerWaalsContact O-CG1 3.28Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.3Å; L1332-I1336 PolarHBondContact O-N 3.25Å; V1333-I1336 PolarHBondContact O-N 3.03Å; I1336-F1339 PolarHBondContact O-N 3.33Å; I1336-R1340 PolarHBondContact O-N 3.23Å; I1336-R1340 VanDerWaalsContact O-N 3.11Å; I1336-L1348 HydrophobicContact CG2-CD1 4.19Å; I1336-V1362 HydrophobicContact CD1-CG2 3.83Å; I1336-A1366 HydrophobicContact CG2-CB 3.51Å; I1336-I1367 HydrophobicContact CD1-CD1 4.2Å; I1336-I1367 HydrophobicContact CG1-CD1 4.43Å; I1336-I1367 HydrophobicContact CG2-CD1 3.83Å; I1336-I1367 HydrophobicContact CG2-CG1 4.43Å
1337	C	97.2	Very high	94.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-44.1	177	-69.4	0	0	0	0	112	L1109 A1113 V1333 Q1334 T1335 F1339 R1340 L1341	L1109-C1337 HydrophobicContact CB-CB 4.24Å; A1113-C1337 HydrophobicContact CB-CB 3.86Å; V1333-C1337 WeakPolarHBondContact O-CB 3.18Å; V1333-C1337 PolarHBondContact O-N 2.92Å; V1333-C1337 PolarHBondContact O-SG 3.39Å; Q1334-C1337 PolarHBondContact O-N 3.36Å; T1335-C1337 VanDerWaalsContact C-N 3.32Å; T1335-C1337 PolarHBondContact O-N 3.44Å; C1337-F1339 VanDerWaalsContact C-N 3.34Å; C1337-F1339 PolarHBondContact O-N 2.94Å; C1337-R1340 PolarHBondContact O-N 3.21Å; C1337-L1341 VanDerWaalsContact O-CD1 3.23Å; C1337-L1341 WeakPolarHBondContact O-CD1 3.18Å; C1337-L1341 PolarHBondContact O-N 3.49Å
1338	A	97.2	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-44.7	177.4	0	0	0	0	0	111.8	M1094 L1097 L1098 Q1334 T1335 R1340 L1341 L1342	M1094-A1338 HydrophobicContact CE-CB 4.17Å; M1094-A1338 HydrophobicContact SD-CB 3.99Å; L1097-A1338 HydrophobicContact CB-CB 3.85Å; L1098-A1338 HydrophobicContact CD2-CB 4.1Å; Q1334-A1338 WeakPolarHBondContact O-CB 3.42Å; Q1334-A1338 PolarHBondContact O-N 3.45Å; T1335-A1338 PolarHBondContact O-N 2.87Å; A1338-R1340 PolarHBondContact O-N 3.44Å; A1338-L1341 PolarHBondContact O-N 2.99Å; A1338-L1342 PolarHBondContact O-N 3.41Å
1339	F	97.2	Very high	95.2	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-39.9	175.1	-90.6	-91.3	0	0	0	113.2	M1094 C1288 V1291 A1292 V1309 F1311 T1335 I1336 C1337 L1341 L1342 A1343 L1348	M1094-F1339 HydrophobicContact CE-CD1 4.47Å; M1094-F1339 HydrophobicContact CE-CD2 3.6Å; M1094-F1339 HydrophobicContact CE-CE1 4.45Å; M1094-F1339 HydrophobicContact CE-CE2 3.59Å; M1094-F1339 HydrophobicContact CE-CG 4.08Å; M1094-F1339 HydrophobicContact CE-CZ 4.04Å; C1288-F1339 HydrophobicContact CB-CE2 4.25Å; C1288-F1339 VanDerWaalsContact O-CZ 3.26Å; C1288-F1339 WeakPolarHBondContact O-CZ 3.28Å; V1291-F1339 HydrophobicContact CB-CE1 4.49Å; V1291-F1339 HydrophobicContact CB-CZ 4Å; V1291-F1339 HydrophobicContact CG1-CE1 3.9Å; V1291-F1339 HydrophobicContact CG1-CZ 3.82Å; A1292-F1339 HydrophobicContact CB-CE1 4.1Å; A1292-F1339 HydrophobicContact CB-CZ 4.08Å; V1309-F1339 HydrophobicContact CB-CD1 4.46Å; V1309-F1339 HydrophobicContact CG1-CD1 4.13Å; V1309-F1339 HydrophobicContact CG1-CE1 4.02Å; V1309-F1339 HydrophobicContact CG1-CZ 4.47Å; V1309-F1339 HydrophobicContact CG2-CD1 4.23Å; V1309-F1339 HydrophobicContact CG2-CE1 4.18Å; F1311-F1339 AromaticContact CE1-CD2 3.68Å; F1311-F1339 HydrophobicContact CE1-CD2 3.68Å; F1311-F1339 HydrophobicContact CE1-CE2 4.03Å; F1311-F1339 HydrophobicContact CE1-CG 4.08Å; F1311-F1339 HydrophobicContact CZ-CB 4.02Å; F1311-F1339 HydrophobicContact CZ-CD2 4.05Å; F1311-F1339 AromaticContact CZ-CG 3.98Å; F1311-F1339 HydrophobicContact CZ-CG 3.98Å; T1335-F1339 HydrophobicContact CG2-CD2 4.01Å; T1335-F1339 HydrophobicContact CG2-CE2 4.02Å; T1335-F1339 WeakPolarHBondContact O-CD2 3.48Å; T1335-F1339 PolarHBondContact O-N 3.23Å; I1336-F1339 PolarHBondContact O-N 3.33Å; C1337-F1339 VanDerWaalsContact C-N 3.34Å; C1337-F1339 PolarHBondContact O-N 2.94Å; F1339-L1341 VanDerWaalsContact C-N 3.31Å; F1339-L1341 PolarHBondContact O-N 3.17Å; F1339-L1342 PolarHBondContact O-N 2.96Å; F1339-A1343 PolarHBondContact O-N 3.37Å; F1339-L1348 HydrophobicContact CB-CD2 4.27Å
1340	R	96.1	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-35	175.4	175.5	57.1	70	-144.2	-3.4	112.3	A1113 L1116 T1117 F1121 I1336 C1337 A1338 P1344 I1346 L1348 A1366 N1368	A1113-R1340 HydrophobicContact CB-CB 4.14Å; A1113-R1340 HydrophobicContact CB-CG 4.02Å; A1113-R1340 WeakPolarHBondContact O-CG 3.27Å; L1116-R1340 HydrophobicContact CB-CG 4.17Å; T1117-R1340 VanDerWaalsContact OG1-CD 3.32Å; T1117-R1340 WeakPolarHBondContact OG1-CD 3.36Å; T1117-R1340 WeakPolarHBondContact OG1-CG 3.39Å; T1117-R1340 PolarHBondContact OG1-NE 3.48Å; F1121-R1340 VanDerWaalsContact CE2-NH1 3.3Å; I1336-R1340 PolarHBondContact O-N 3.23Å; I1336-R1340 VanDerWaalsContact O-N 3.11Å; C1337-R1340 PolarHBondContact O-N 3.21Å; A1338-R1340 PolarHBondContact O-N 3.44Å; R1340-P1344 PolarHBondContact NH1-O 3.29Å; R1340-P1344 WeakPolarHBondContact O-CA 3.2Å; R1340-I1346 PolarHBondContact NH1-O 3.46Å; R1340-I1346 PolarHBondContact NH2-O 2.84Å; R1340-L1348 HydrophobicContact CB-CD1 4Å; R1340-A1366 HydrophobicContact CB-CB 4.34Å; R1340-A1366 PolarHBondContact NH2-O 2.91Å; R1340-N1368 PolarHBondContact NH2-OD1 2.96Å
1341	L	95.7	Very high	95.2	Very high	5 Å²	5	14.9 Å²	14.9	3%	0.026	8%	0.078	C	C	.	.	H	α-helix	trans	-72.7	-41.7	176.5	-90.8	64.9	0	0	0	111.7	L1084 L1089 L1097 L1109 R1112 A1113 L1116 C1337 A1338 F1339	L1084-L1341 HydrophobicContact CD2-CD2 4.12Å; L1089-L1341 HydrophobicContact CD2-CB 3.78Å; L1097-L1341 HydrophobicContact CD1-CB 4.11Å; L1097-L1341 HydrophobicContact CD1-CD2 3.74Å; L1109-L1341 HydrophobicContact CD2-CD2 4.02Å; R1112-L1341 HydrophobicContact CB-CD1 4.17Å; R1112-L1341 HydrophobicContact CB-CD2 4.43Å; R1112-L1341 HydrophobicContact CG-CD1 4.07Å; R1112-L1341 HydrophobicContact CG-CD2 4.17Å; R1112-L1341 HydrophobicContact CG-CG 4.04Å; A1113-L1341 HydrophobicContact CB-CD1 3.76Å; L1116-L1341 HydrophobicContact CD1-CD1 4.05Å; L1116-L1341 HydrophobicContact CD1-CG 4.04Å; C1337-L1341 VanDerWaalsContact O-CD1 3.23Å; C1337-L1341 WeakPolarHBondContact O-CD1 3.18Å; C1337-L1341 PolarHBondContact O-N 3.49Å; A1338-L1341 PolarHBondContact O-N 2.99Å; F1339-L1341 VanDerWaalsContact C-N 3.31Å; F1339-L1341 PolarHBondContact O-N 3.17Å
1342	L	94.4	Very high	95.1	Very high	19 Å²	19	13 Å²	13	10%	0.099	7%	0.07	C	C	.	.	H	α-helix	trans	-65.5	-46.6	178.9	178.6	67.5	0	0	0	112.2	L1089 M1094 A1292 A1338 F1339	L1089-L1342 HydrophobicContact CB-CD1 4.28Å; M1094-L1342 HydrophobicContact CB-CD1 4.3Å; M1094-L1342 HydrophobicContact CB-CD2 4.37Å; M1094-L1342 HydrophobicContact CE-CD2 4.19Å; M1094-L1342 HydrophobicContact CG-CD2 3.96Å; M1094-L1342 HydrophobicContact SD-CB 4.13Å; M1094-L1342 HydrophobicContact SD-CD2 3.96Å; A1292-L1342 HydrophobicContact CB-CD2 3.65Å; A1338-L1342 PolarHBondContact O-N 3.41Å; F1339-L1342 PolarHBondContact O-N 2.96Å
1343	A	92.5	Very high	94.9	Very high	6 Å²	6	14.4 Å²	14.4	5%	0.05	8%	0.075	C	C	.	.			trans	-132	78.7	-174.9	0	0	0	0	0	110.9	L1295 F1339 E1345 I1346	L1295-A1343 HydrophobicContact CD2-CB 3.93Å; F1339-A1343 PolarHBondContact O-N 3.37Å; A1343-E1345 PolarHBondContact O-N 2.82Å; A1343-E1345 VanDerWaalsContact O-N 3.1Å; A1343-I1346 HydrophobicContact CB-CD1 3.96Å; A1343-I1346 HydrophobicContact CB-CG1 4.16Å; A1343-I1346 HydrophobicContact CB-CG2 3.87Å; A1343-I1346 WeakPolarHBondContact O-CG1 3.04Å; A1343-I1346 PolarHBondContact O-N 2.99Å
1344	P	92	Very high	94.8	Very high	30 Å²	30	13.5 Å²	13.5	20%	0.195	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.4	-173.9	-25.8	35.1	0	0	0	114.8	L1116 R1120 F1121 R1340	L1116-P1344 HydrophobicContact CD1-CG 4.37Å; L1116-P1344 HydrophobicContact CD2-CB 4.43Å; L1116-P1344 HydrophobicContact CD2-CG 4.39Å; R1120-P1344 HydrophobicContact CG-CB 4.21Å; F1121-P1344 WeakPolarHBondContact CE2-O 3.35Å; R1340-P1344 PolarHBondContact NH1-O 3.29Å; R1340-P1344 WeakPolarHBondContact O-CA 3.2Å
1345	E	89.4	Confident	94.6	Very high	115 Å²	115	14 Å²	14	54%	0.537	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.2	-174.1	-48.5	-64.3	155.7	0	0	114.5	R1120 F1121 A1343	R1120-E1345 WeakPolarHBondContact CD-OE2 3.29Å; R1120-E1345 IonicContact CZ-OE1 3.66Å; R1120-E1345 VanDerWaalsContact NE-CD 3.28Å; R1120-E1345 IonicContact NE-OE1 3.95Å; R1120-E1345 PolarHBondContact NE-OE1 2.92Å; R1120-E1345 IonicContact NE-OE2 2.82Å; R1120-E1345 PolarHBondContact NE-OE2 3.26Å; R1120-E1345 IonicContact NH2-OE1 2.8Å; R1120-E1345 PolarHBondContact NH2-OE1 3.5Å; F1121-E1345 WeakPolarHBondContact CZ-O 3.2Å; A1343-E1345 PolarHBondContact O-N 2.82Å; A1343-E1345 VanDerWaalsContact O-N 3.1Å
1346	I	93.1	Very high	94.5	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.031	9%	0.085	C	C	.	.	S	Bend	trans	-85.9	156.6	-171.3	76.9	177	0	0	0	112.5	F1121 L1295 V1309 R1340 A1343 L1348	F1121-I1346 VanDerWaalsContact CZ-O 3.32Å; F1121-I1346 WeakPolarHBondContact CZ-O 3.28Å; L1295-I1346 HydrophobicContact CD1-CG2 4.37Å; L1295-I1346 HydrophobicContact CD2-CD1 3.55Å; L1295-I1346 HydrophobicContact CD2-CG2 4.46Å; V1309-I1346 HydrophobicContact CB-CD1 4.26Å; V1309-I1346 HydrophobicContact CG2-CD1 3.73Å; R1340-I1346 PolarHBondContact NH1-O 3.46Å; R1340-I1346 PolarHBondContact NH2-O 2.84Å; A1343-I1346 HydrophobicContact CB-CD1 3.96Å; A1343-I1346 HydrophobicContact CB-CG1 4.16Å; A1343-I1346 HydrophobicContact CB-CG2 3.87Å; A1343-I1346 WeakPolarHBondContact O-CG1 3.04Å; A1343-I1346 PolarHBondContact O-N 2.99Å; I1346-L1348 HydrophobicContact CD1-CD2 3.81Å; I1346-L1348 HydrophobicContact CG1-CD2 3.88Å
1347	E	94	Very high	94.3	Very high	32 Å²	32	22.4 Å²	22.4	15%	0.15	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.4	172.9	-170.8	-166.2	99.8	0	0	111	K1271 Y1307 S1308 V1309 S1349 N1369	K1271-E1347 IonicContact NZ-OE1 2.75Å; K1271-E1347 PolarHBondContact NZ-OE1 2.69Å; K1271-E1347 IonicContact NZ-OE2 3.94Å; K1271-E1347 PolarHBondContact NZ-OE2 3.41Å; Y1307-E1347 PolarHBondContact O-N 3.44Å; S1308-E1347 CarbonylContact C-O 3.39Å; S1308-E1347 WeakPolarHBondContact CA-O 3.45Å; S1308-E1347 WeakPolarHBondContact CB-O 3.43Å; V1309-E1347 PolarHBondContact N-O 3.32Å; E1347-S1349 PolarHBondContact OE1-OG 3.35Å; E1347-N1369 HydrophobicContact CG-CB 3.45Å; E1347-N1369 VanDerWaalsContact CG-CB 3.45Å; E1347-N1369 WeakPolarHBondContact OE1-CB 3.47Å; E1347-N1369 PolarHBondContact OE1-ND2 3.34Å
1348	L	96.9	Very high	94.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.2	172.5	-60.5	-174.5	0	0	0	109.1	V1309 F1311 I1336 F1339 R1340 I1346 A1366 I1367 N1368 N1369	V1309-L1348 HydrophobicContact CB-CD2 4.05Å; F1311-L1348 HydrophobicContact CE2-CB 4.29Å; F1311-L1348 HydrophobicContact CE2-CD2 4.02Å; F1311-L1348 HydrophobicContact CZ-CD2 4.05Å; I1336-L1348 HydrophobicContact CG2-CD1 4.19Å; F1339-L1348 HydrophobicContact CB-CD2 4.27Å; R1340-L1348 HydrophobicContact CB-CD1 4Å; I1346-L1348 HydrophobicContact CD1-CD2 3.81Å; I1346-L1348 HydrophobicContact CG1-CD2 3.88Å; L1348-A1366 HydrophobicContact CD1-CB 4.45Å; L1348-I1367 HydrophobicContact CB-CD1 3.9Å; L1348-I1367 WeakPolarHBondContact O-CG2 3.2Å; L1348-N1368 PolarHBondContact N-OD1 3.4Å; L1348-N1368 PolarHBondContact O-N 3.19Å; L1348-N1369 PolarHBondContact O-N 2.93Å
1349	S	94.5	Very high	94.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.3	-172	-73.9	0	0	0	0	112.8	V1309 E1347 N1369	V1309-S1349 PolarHBondContact O-N 3.14Å; E1347-S1349 PolarHBondContact OE1-OG 3.35Å; S1349-N1369 VanDerWaalsContact CA-O 3.28Å; S1349-N1369 WeakPolarHBondContact CA-O 3.44Å; S1349-N1369 PolarHBondContact OG-ND2 3.04Å
1350	L	94.8	Very high	94	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.1	175.4	-161.7	69.2	0	0	0	112.2	E1354 F1358 R1359 V1362 I1367 N1369 V1370 S1371	L1350-E1354 HydrophobicContact CD1-CG 3.93Å; L1350-E1354 HydrophobicContact CG-CG 4.29Å; L1350-F1358 HydrophobicContact CD2-CE1 4.39Å; L1350-R1359 HydrophobicContact CD2-CB 4.46Å; L1350-R1359 HydrophobicContact CD2-CG 3.93Å; L1350-R1359 PolarHBondContact O-NH2 3.07Å; L1350-V1362 HydrophobicContact CD2-CG1 3.43Å; L1350-V1362 VanDerWaalsContact CD2-CG1 3.43Å; L1350-I1367 HydrophobicContact CB-CD1 4.25Å; L1350-I1367 HydrophobicContact CB-CG1 4.19Å; L1350-I1367 HydrophobicContact CB-CG2 3.82Å; L1350-I1367 HydrophobicContact CD2-CG1 4.4Å; L1350-N1369 PolarHBondContact N-O 2.93Å; L1350-V1370 HydrophobicContact CB-CG1 4.39Å; L1350-V1370 WeakPolarHBondContact O-CA 3.3Å; L1350-S1371 PolarHBondContact O-N 3.01Å
1351	S	93.4	Very high	93.9	Very high	22 Å²	22	30.3 Å²	30.3	15%	0.154	14%	0.142	C	C	.	.			trans	-88.3	174.8	-177.1	68.1	0	0	0	0	113.3	R1353 R1359 S1371	S1351-R1353 PolarHBondContact O-N 2.74Å; S1351-R1353 VanDerWaalsContact O-N 3.17Å; S1351-R1353 WeakPolarHBondContact OG-CG 3.49Å; S1351-R1353 PolarHBondContact OG-N 3.03Å; S1351-R1359 PolarHBondContact O-NE 3.1Å; S1351-S1371 VanDerWaalsContact CA-OG 3.29Å; S1351-S1371 WeakPolarHBondContact CA-OG 3.47Å
1352	T	94.2	Very high	93.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	5.7	174.3	48.5	0	0	0	0	113.8	E1354 S1371 S1374 H1394 D1395	T1352-E1354 PolarHBondContact O-N 3.37Å; T1352-S1371 WeakPolarHBondContact CG2-O 3.4Å; T1352-S1371 WeakPolarHBondContact CG2-OG 3.34Å; T1352-S1371 PolarHBondContact N-OG 3.08Å; T1352-S1374 WeakPolarHBondContact CG2-OG 3.41Å; T1352-S1374 VanDerWaalsContact OG1-CB 3.24Å; T1352-S1374 WeakPolarHBondContact OG1-CB 3.33Å; T1352-S1374 PolarHBondContact OG1-OG 3.2Å; T1352-H1394 PolarHBondContact O-N 2.69Å; T1352-D1395 WeakPolarHBondContact CB-O 3.48Å; T1352-D1395 HydrophobicContact CG2-CB 4.43Å; T1352-D1395 WeakPolarHBondContact CG2-O 3.28Å; T1352-D1395 PolarHBondContact O-N 3.38Å; T1352-D1395 VanDerWaalsContact O-N 3.09Å
1353	R	92.2	Very high	93.9	Very high	29 Å²	29	29.4 Å²	29.4	11%	0.109	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.4	169.4	-72	176.6	175	-106.1	-2.1	112.7	R1313 R1315 S1351 F1391 H1394	R1313-R1353 PolarHBondContact O-NH1 3.35Å; R1313-R1353 VanDerWaalsContact O-NH1 3.09Å; R1315-R1353 HydrophobicContact CG-CB 4.17Å; R1315-R1353 HydrophobicContact CG-CG 4.17Å; S1351-R1353 PolarHBondContact O-N 2.74Å; S1351-R1353 VanDerWaalsContact O-N 3.17Å; S1351-R1353 WeakPolarHBondContact OG-CG 3.49Å; S1351-R1353 PolarHBondContact OG-N 3.03Å; R1353-F1391 HydrophobicContact CG-CD2 4.13Å; R1353-F1391 HydrophobicContact CG-CE2 3.45Å; R1353-F1391 VanDerWaalsContact CG-CE2 3.45Å; R1353-F1391 HydrophobicContact CG-CZ 3.84Å; R1353-H1394 VanDerWaalsContact O-CB 3.29Å; R1353-H1394 WeakPolarHBondContact O-CB 3.47Å
1354	E	94.2	Very high	93.9	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.023	14%	0.143	C	C	.	.	S	Bend	trans	-96.4	153.4	-175.9	-57.7	-54.3	158.8	0	0	112.7	R1313 L1350 T1352 F1358 R1359	R1313-E1354 IonicContact CZ-OE1 3.85Å; R1313-E1354 IonicContact CZ-OE2 2.82Å; R1313-E1354 IonicContact NE-OE1 3.75Å; R1313-E1354 PolarHBondContact NE-OE1 3.29Å; R1313-E1354 IonicContact NE-OE2 3.47Å; R1313-E1354 PolarHBondContact NE-OE2 3.27Å; R1313-E1354 IonicContact NH2-OE1 3.87Å; R1313-E1354 IonicContact NH2-OE2 3.92Å; R1313-E1354 PolarHBondContact NH2-OE2 2.87Å; L1350-E1354 HydrophobicContact CD1-CG 3.93Å; L1350-E1354 HydrophobicContact CG-CG 4.29Å; T1352-E1354 PolarHBondContact O-N 3.37Å; E1354-F1358 HydrophobicContact CB-CD1 4.1Å; E1354-F1358 HydrophobicContact CG-CD1 4.37Å; E1354-R1359 HydrophobicContact CB-CG 3.74Å; E1354-R1359 WeakPolarHBondContact O-CD 3.41Å
1355	S	93.4	Very high	94	Very high	16 Å²	16	30.8 Å²	30.8	11%	0.112	14%	0.143	C	C	.	.			trans	-66.3	148.8	-176.4	75	0	0	0	0	111.5	W1357 F1358 R1359 H1394	S1355-W1357 PolarHBondContact O-N 3.37Å; S1355-F1358 PolarHBondContact O-N 3.49Å; S1355-F1358 WeakPolarHBondContact OG-CB 3.47Å; S1355-F1358 PolarHBondContact OG-N 3.27Å; S1355-F1358 VanDerWaalsContact OG-N 3.12Å; S1355-R1359 WeakPolarHBondContact O-CB 3.24Å; S1355-R1359 VanDerWaalsContact O-CG 3.24Å; S1355-R1359 WeakPolarHBondContact O-CG 3.35Å; S1355-R1359 PolarHBondContact O-N 2.79Å; S1355-H1394 VanDerWaalsContact CB-CE1 3.4Å; S1355-H1394 WeakPolarHBondContact CB-CE1 3.18Å; S1355-H1394 PolarHBondContact N-ND1 3.31Å
1356	P	93.9	Very high	94.3	Very high	38 Å²	38	25.3 Å²	25.3	25%	0.247	12%	0.118	C	C	.	.	H	α-helix	trans	-49.6	-42.1	171.8	-29.2	34.7	0	0	0	113	F1358 R1359 D1360 D1395	P1356-F1358 PolarHBondContact O-N 3.45Å; P1356-R1359 PolarHBondContact O-N 3.13Å; P1356-D1360 WeakPolarHBondContact O-CB 3.41Å; P1356-D1360 PolarHBondContact O-N 3.03Å; P1356-D1395 HydrophobicContact CG-CB 4.02Å
1357	W	94.5	Very high	94.4	Very high	138 Å²	138	25 Å²	25	52%	0.523	12%	0.116	S	C	.	.	H	α-helix	trans	-63	-42.1	-178.3	-179.3	100	0	0	0	113.4	E1329 S1355 R1361	E1329-W1357 VanDerWaalsContact OE2-CZ3 3.3Å; E1329-W1357 WeakPolarHBondContact OE2-CZ3 3.28Å; S1355-W1357 PolarHBondContact O-N 3.37Å; W1357-R1361 VanDerWaalsContact CE2-NH1 3.27Å; W1357-R1361 VanDerWaalsContact CG-NH1 3.31Å; W1357-R1361 PolarHBondContact O-NH1 3.13Å
1358	F	95.1	Very high	94.4	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-73.1	-45.9	179.5	178.7	-100.2	0	0	0	110.7	E1329 L1332 V1333 L1350 E1354 S1355 P1356 D1360 R1361 V1362	E1329-F1358 HydrophobicContact CB-CD2 3.93Å; E1329-F1358 HydrophobicContact CB-CE2 3.79Å; E1329-F1358 HydrophobicContact CG-CD2 3.81Å; E1329-F1358 HydrophobicContact CG-CE2 4.08Å; L1332-F1358 HydrophobicContact CB-CZ 4.17Å; L1332-F1358 HydrophobicContact CD2-CE1 3.51Å; L1332-F1358 HydrophobicContact CD2-CZ 3.54Å; L1332-F1358 HydrophobicContact CG-CE1 4.17Å; L1332-F1358 HydrophobicContact CG-CZ 3.8Å; V1333-F1358 HydrophobicContact CG2-CE2 3.9Å; V1333-F1358 HydrophobicContact CG2-CZ 4.12Å; L1350-F1358 HydrophobicContact CD2-CE1 4.39Å; E1354-F1358 HydrophobicContact CB-CD1 4.1Å; E1354-F1358 HydrophobicContact CG-CD1 4.37Å; S1355-F1358 PolarHBondContact O-N 3.49Å; S1355-F1358 WeakPolarHBondContact OG-CB 3.47Å; S1355-F1358 PolarHBondContact OG-N 3.27Å; S1355-F1358 VanDerWaalsContact OG-N 3.12Å; P1356-F1358 PolarHBondContact O-N 3.45Å; F1358-D1360 PolarHBondContact O-N 2.99Å; F1358-R1361 PolarHBondContact O-N 2.94Å; F1358-V1362 HydrophobicContact CD1-CG1 4.16Å; F1358-V1362 HydrophobicContact CE1-CB 4.25Å; F1358-V1362 HydrophobicContact CE1-CG1 3.84Å; F1358-V1362 HydrophobicContact CZ-CB 4.22Å; F1358-V1362 HydrophobicContact CZ-CG1 4.32Å; F1358-V1362 HydrophobicContact CZ-CG2 4.31Å; F1358-V1362 PolarHBondContact O-N 3.49Å
1359	R	95.4	Very high	94.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.6	-48.7	-180	-67.6	-178	76.8	-158.5	6.8	111.2	L1350 S1351 E1354 S1355 P1356 R1361 V1362 I1363 S1371 D1395	L1350-R1359 HydrophobicContact CD2-CB 4.46Å; L1350-R1359 HydrophobicContact CD2-CG 3.93Å; L1350-R1359 PolarHBondContact O-NH2 3.07Å; S1351-R1359 PolarHBondContact O-NE 3.1Å; E1354-R1359 HydrophobicContact CB-CG 3.74Å; E1354-R1359 WeakPolarHBondContact O-CD 3.41Å; S1355-R1359 WeakPolarHBondContact O-CB 3.24Å; S1355-R1359 VanDerWaalsContact O-CG 3.24Å; S1355-R1359 WeakPolarHBondContact O-CG 3.35Å; S1355-R1359 PolarHBondContact O-N 2.79Å; P1356-R1359 PolarHBondContact O-N 3.13Å; R1359-R1361 PolarHBondContact O-N 3.17Å; R1359-V1362 PolarHBondContact O-N 3.23Å; R1359-I1363 HydrophobicContact CB-CD1 4.27Å; R1359-I1363 WeakPolarHBondContact O-CD1 3.21Å; R1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; R1359-I1363 PolarHBondContact O-N 3.36Å; R1359-S1371 PolarHBondContact NH1-O 3.42Å; R1359-S1371 PolarHBondContact NH2-O 3.32Å; R1359-D1395 WeakPolarHBondContact CD-OD2 3.23Å; R1359-D1395 IonicContact CZ-OD2 3.63Å; R1359-D1395 IonicContact NE-OD2 2.66Å; R1359-D1395 VanDerWaalsContact NH1-CG 3.34Å; R1359-D1395 IonicContact NH1-OD2 3.23Å; R1359-D1395 PolarHBondContact NH1-OD2 3.01Å
1360	D	94.3	Very high	94.3	Very high	30 Å²	30	23.8 Å²	23.8	16%	0.16	11%	0.111	C	C	.	.	H	α-helix	trans	-62.4	-18	-179.7	-65.9	-3.6	0	0	0	113	P1356 F1358 R1397 Q1409	P1356-D1360 WeakPolarHBondContact O-CB 3.41Å; P1356-D1360 PolarHBondContact O-N 3.03Å; F1358-D1360 PolarHBondContact O-N 2.99Å; D1360-R1397 IonicContact OD1-CZ 3.54Å; D1360-R1397 IonicContact OD1-NH1 3.93Å; D1360-R1397 PolarHBondContact OD1-NH1 3.48Å; D1360-R1397 IonicContact OD1-NH2 3.86Å; D1360-R1397 PolarHBondContact OD1-NH2 3.3Å; D1360-R1397 IonicContact OD2-CZ 2.77Å; D1360-R1397 IonicContact OD2-NH1 3.89Å; D1360-R1397 PolarHBondContact OD2-NH1 2.99Å; D1360-R1397 IonicContact OD2-NH2 2.8Å; D1360-Q1409 VanDerWaalsContact O-CD 3.3Å; D1360-Q1409 PolarHBondContact O-NE2 2.68Å; D1360-Q1409 PolarHBondContact O-OE1 2.87Å
1361	R	94.2	Very high	94.2	Very high	133 Å²	133	23.7 Å²	23.7	50%	0.502	11%	0.11	S	C	.	.	H	α-helix	trans	-100.1	-31.9	-179.6	-74.3	175.3	176.8	69.7	2.3	114.4	W1357 F1358 R1359	W1357-R1361 VanDerWaalsContact CE2-NH1 3.27Å; W1357-R1361 VanDerWaalsContact CG-NH1 3.31Å; W1357-R1361 PolarHBondContact O-NH1 3.13Å; F1358-R1361 PolarHBondContact O-N 2.94Å; R1359-R1361 PolarHBondContact O-N 3.17Å
1362	V	94.4	Very high	94.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-85.3	-25.3	-178.3	74	0	0	0	0	112.4	V1333 I1336 L1350 F1358 R1359 L1365 A1366 I1367	V1333-V1362 HydrophobicContact CG2-CG2 4.31Å; I1336-V1362 HydrophobicContact CD1-CG2 3.83Å; L1350-V1362 HydrophobicContact CD2-CG1 3.43Å; L1350-V1362 VanDerWaalsContact CD2-CG1 3.43Å; F1358-V1362 HydrophobicContact CD1-CG1 4.16Å; F1358-V1362 HydrophobicContact CE1-CB 4.25Å; F1358-V1362 HydrophobicContact CE1-CG1 3.84Å; F1358-V1362 HydrophobicContact CZ-CB 4.22Å; F1358-V1362 HydrophobicContact CZ-CG1 4.32Å; F1358-V1362 HydrophobicContact CZ-CG2 4.31Å; F1358-V1362 PolarHBondContact O-N 3.49Å; R1359-V1362 PolarHBondContact O-N 3.23Å; V1362-L1365 WeakPolarHBondContact O-CB 3.41Å; V1362-L1365 PolarHBondContact O-N 3.48Å; V1362-L1365 VanDerWaalsContact O-N 3.1Å; V1362-A1366 PolarHBondContact O-N 2.77Å; V1362-I1367 HydrophobicContact CG1-CG1 4.25Å; V1362-I1367 HydrophobicContact CG2-CG1 4.42Å
1363	I	95.6	Very high	94	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-45.8	-180	-65.7	163.2	0	0	0	112.7	V1125 R1359 L1365 I1367 V1370 L1406 L1411	V1125-I1363 HydrophobicContact CG1-CG2 4.08Å; V1125-I1363 HydrophobicContact CG2-CG2 3.84Å; R1359-I1363 HydrophobicContact CB-CD1 4.27Å; R1359-I1363 WeakPolarHBondContact O-CD1 3.21Å; R1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; R1359-I1363 PolarHBondContact O-N 3.36Å; I1363-L1365 PolarHBondContact O-N 3.03Å; I1363-L1365 VanDerWaalsContact O-N 3.11Å; I1363-I1367 HydrophobicContact CG1-CB 4.29Å; I1363-I1367 HydrophobicContact CG1-CG2 4.27Å; I1363-V1370 HydrophobicContact CD1-CG1 3.85Å; I1363-V1370 HydrophobicContact CG1-CG1 4.03Å; I1363-L1406 HydrophobicContact CB-CD2 4.2Å; I1363-L1406 HydrophobicContact CD1-CD2 3.86Å; I1363-L1406 HydrophobicContact CG2-CD2 3.71Å; I1363-L1411 HydrophobicContact CG2-CD1 3.71Å
1364	P	93.2	Very high	94	Very high	25 Å²	25	23.3 Å²	23.3	16%	0.162	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.3	174.6	-27	34.9	0	0	0	116	L1411	P1364-L1411 HydrophobicContact CB-CD1 4.47Å; P1364-L1411 HydrophobicContact CG-CD1 4.09Å
1365	L	93.7	Very high	93.8	Very high	40 Å²	40	25.3 Å²	25.3	21%	0.209	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-49.8	-173.6	-59.5	179.6	0	0	0	112.2	A1113 Q1114 T1117 V1333 V1362 I1363	A1113-L1365 CarbonylContact C-O 3.57Å; Q1114-L1365 WeakPolarHBondContact CA-O 3.45Å; Q1114-L1365 PolarHBondContact N-O 2.89Å; T1117-L1365 PolarHBondContact OG1-O 3.5Å; V1333-L1365 HydrophobicContact CG1-CD1 4.4Å; V1362-L1365 WeakPolarHBondContact O-CB 3.41Å; V1362-L1365 PolarHBondContact O-N 3.48Å; V1362-L1365 VanDerWaalsContact O-N 3.1Å; I1363-L1365 PolarHBondContact O-N 3.03Å; I1363-L1365 VanDerWaalsContact O-N 3.11Å
1366	A	94.9	Very high	93.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.8	-22.8	-168	0	0	0	0	0	116.8	A1113 T1117 I1336 R1340 L1348 V1362	A1113-A1366 HydrophobicContact CB-CB 4.47Å; T1117-A1366 WeakPolarHBondContact OG1-CA 3.48Å; I1336-A1366 HydrophobicContact CG2-CB 3.51Å; R1340-A1366 HydrophobicContact CB-CB 4.34Å; R1340-A1366 PolarHBondContact NH2-O 2.91Å; L1348-A1366 HydrophobicContact CD1-CB 4.45Å; V1362-A1366 PolarHBondContact O-N 2.77Å
1367	I	95.9	Very high	93.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.099	C	C	.	.			trans	-80.7	136.6	-177.2	-57.7	-60.4	0	0	0	110.2	I1336 L1348 L1350 V1362 I1363 N1369 V1370	I1336-I1367 HydrophobicContact CD1-CD1 4.2Å; I1336-I1367 HydrophobicContact CG1-CD1 4.43Å; I1336-I1367 HydrophobicContact CG2-CD1 3.83Å; I1336-I1367 HydrophobicContact CG2-CG1 4.43Å; L1348-I1367 HydrophobicContact CB-CD1 3.9Å; L1348-I1367 WeakPolarHBondContact O-CG2 3.2Å; L1350-I1367 HydrophobicContact CB-CD1 4.25Å; L1350-I1367 HydrophobicContact CB-CG1 4.19Å; L1350-I1367 HydrophobicContact CB-CG2 3.82Å; L1350-I1367 HydrophobicContact CD2-CG1 4.4Å; V1362-I1367 HydrophobicContact CG1-CG1 4.25Å; V1362-I1367 HydrophobicContact CG2-CG1 4.42Å; I1363-I1367 HydrophobicContact CG1-CB 4.29Å; I1363-I1367 HydrophobicContact CG1-CG2 4.27Å; I1367-N1369 WeakPolarHBondContact CG2-O 3.31Å; I1367-V1370 HydrophobicContact CG2-CG1 3.63Å
1368	N	93.9	Very high	92.7	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.037	8%	0.075	C	C	.	.			trans	-130.6	3.6	-179.5	67.7	-68.2	0	0	0	114.1	F1121 S1126 R1340 L1348	F1121-N1368 HydrophobicContact CB-CB 4.33Å; F1121-N1368 HydrophobicContact CD1-CB 4.4Å; F1121-N1368 VanDerWaalsContact CD1-ND2 3.26Å; F1121-N1368 WeakPolarHBondContact CD1-ND2 3.47Å; F1121-N1368 HydrophobicContact CD2-CB 4.42Å; F1121-N1368 WeakPolarHBondContact CE1-ND2 3.28Å; F1121-N1368 HydrophobicContact CG-CB 4.11Å; S1126-N1368 PolarHBondContact N-O 2.82Å; R1340-N1368 PolarHBondContact NH2-OD1 2.96Å; L1348-N1368 PolarHBondContact N-OD1 3.4Å; L1348-N1368 PolarHBondContact O-N 3.19Å
1369	N	93.9	Very high	92.2	Very high	2 Å²	2	16 Å²	16	1%	0.011	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135	171	-177	53.7	0	0	0	111.4	S1126 Y1128 E1347 L1348 S1349 L1350 I1367	S1126-N1369 WeakPolarHBondContact CB-OD1 3.36Å; S1126-N1369 CarbonylContact O-C 3.48Å; S1126-N1369 WeakPolarHBondContact O-CA 3.14Å; S1126-N1369 PolarHBondContact O-OD1 3.13Å; S1126-N1369 VanDerWaalsContact O-OD1 3.13Å; Y1128-N1369 VanDerWaalsContact CD1-ND2 3.29Å; Y1128-N1369 WeakPolarHBondContact CD1-ND2 3.42Å; Y1128-N1369 WeakPolarHBondContact CD1-OD1 3.38Å; Y1128-N1369 VanDerWaalsContact CE1-ND2 3.32Å; Y1128-N1369 WeakPolarHBondContact CE1-ND2 3.24Å; E1347-N1369 HydrophobicContact CG-CB 3.45Å; E1347-N1369 VanDerWaalsContact CG-CB 3.45Å; E1347-N1369 WeakPolarHBondContact OE1-CB 3.47Å; E1347-N1369 PolarHBondContact OE1-ND2 3.34Å; L1348-N1369 PolarHBondContact O-N 2.93Å; S1349-N1369 VanDerWaalsContact CA-O 3.28Å; S1349-N1369 WeakPolarHBondContact CA-O 3.44Å; S1349-N1369 PolarHBondContact OG-ND2 3.04Å; L1350-N1369 PolarHBondContact N-O 2.93Å; I1367-N1369 WeakPolarHBondContact CG2-O 3.31Å
1370	V	94.9	Very high	91.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.7	-174.1	-63.5	0	0	0	0	112.8	V1125 S1126 F1127 Y1128 L1350 I1363 I1367	V1125-V1370 HydrophobicContact CG1-CG1 4.22Å; V1125-V1370 HydrophobicContact CG1-CG2 3.85Å; S1126-V1370 PolarHBondContact O-N 3.47Å; F1127-V1370 WeakPolarHBondContact CA-O 3.44Å; F1127-V1370 HydrophobicContact CD1-CG2 3.59Å; F1127-V1370 HydrophobicContact CE1-CG2 3.53Å; Y1128-V1370 VanDerWaalsContact CD1-C 3.43Å; Y1128-V1370 VanDerWaalsContact CD1-O 3.29Å; Y1128-V1370 WeakPolarHBondContact CD1-O 3.37Å; Y1128-V1370 PolarHBondContact N-O 2.93Å; Y1128-V1370 VanDerWaalsContact N-O 3.08Å; L1350-V1370 HydrophobicContact CB-CG1 4.39Å; L1350-V1370 WeakPolarHBondContact O-CA 3.3Å; I1363-V1370 HydrophobicContact CD1-CG1 3.85Å; I1363-V1370 HydrophobicContact CG1-CG1 4.03Å; I1367-V1370 HydrophobicContact CG2-CG1 3.63Å
1371	S	93.6	Very high	91.6	Very high	1 Å²	1	16 Å²	16	1%	0.007	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.2	169.7	65.7	0	0	0	0	111.2	Y1128 L1350 S1351 T1352 R1359 S1374	Y1128-S1371 VanDerWaalsContact CE1-N 3.27Å; Y1128-S1371 VanDerWaalsContact O-CA 3.25Å; Y1128-S1371 WeakPolarHBondContact O-CA 3.23Å; L1350-S1371 PolarHBondContact O-N 3.01Å; S1351-S1371 VanDerWaalsContact CA-OG 3.29Å; S1351-S1371 WeakPolarHBondContact CA-OG 3.47Å; T1352-S1371 WeakPolarHBondContact CG2-O 3.4Å; T1352-S1371 WeakPolarHBondContact CG2-OG 3.34Å; T1352-S1371 PolarHBondContact N-OG 3.08Å; R1359-S1371 PolarHBondContact NH1-O 3.42Å; R1359-S1371 PolarHBondContact NH2-O 3.32Å; S1371-S1374 WeakPolarHBondContact CB-OG 3.27Å; S1371-S1374 PolarHBondContact OG-OG 3.1Å
1372	A	91.9	Very high	91.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.			trans	-127.2	143.6	170.5	0	0	0	0	0	111.4	F1127 Y1128 F1174 S1374 P1399 V1402	F1127-A1372 HydrophobicContact CE2-CB 4.5Å; Y1128-A1372 PolarHBondContact O-N 3.31Å; F1174-A1372 HydrophobicContact CZ-CB 4.04Å; F1174-A1372 WeakPolarHBondContact CZ-O 3.32Å; A1372-S1374 VanDerWaalsContact C-N 3.31Å; A1372-S1374 PolarHBondContact O-N 3.09Å; A1372-P1399 HydrophobicContact CB-CB 4.18Å; A1372-P1399 HydrophobicContact CB-CG 4.36Å; A1372-V1402 HydrophobicContact CB-CB 4.26Å; A1372-V1402 HydrophobicContact CB-CG1 4.48Å; A1372-V1402 HydrophobicContact CB-CG2 4.05Å
1373	F	92.1	Very high	90.3	Very high	35 Å²	35	14 Å²	14	15%	0.154	8%	0.077	C	C	.	.	S	Bend	trans	51.1	42.5	179	-161.8	-115.8	0	0	0	115.3	M1172 K1375 Y1381 D1396 R1397 R1398 P1399	M1172-F1373 HydrophobicContact CE-CD1 4.26Å; M1172-F1373 HydrophobicContact SD-CD1 3.55Å; M1172-F1373 VanDerWaalsContact SD-CD1 3.55Å; M1172-F1373 HydrophobicContact SD-CE1 3.99Å; F1373-K1375 PolarHBondContact O-N 3.21Å; F1373-Y1381 WeakPolarHBondContact O-CE1 3.28Å; F1373-D1396 WeakPolarHBondContact CD2-O 3.48Å; F1373-R1397 PolarHBondContact N-O 3.4Å; F1373-R1398 HydrophobicContact CD2-CG 4.14Å; F1373-R1398 HydrophobicContact CE2-CG 4.01Å; F1373-R1398 HydrophobicContact CZ-CG 4.46Å; F1373-P1399 HydrophobicContact CB-CG 3.77Å
1374	S	91	Very high	89.2	Confident	9 Å²	9	18.8 Å²	18.8	6%	0.063	10%	0.103	C	C	.	.			trans	-66.2	130.2	-177.5	-50.1	0	0	0	0	112.2	P1130 T1352 S1371 A1372	P1130-S1374 WeakPolarHBondContact CD-OG 3.44Å; T1352-S1374 WeakPolarHBondContact CG2-OG 3.41Å; T1352-S1374 VanDerWaalsContact OG1-CB 3.24Å; T1352-S1374 WeakPolarHBondContact OG1-CB 3.33Å; T1352-S1374 PolarHBondContact OG1-OG 3.2Å; S1371-S1374 WeakPolarHBondContact CB-OG 3.27Å; S1371-S1374 PolarHBondContact OG-OG 3.1Å; A1372-S1374 VanDerWaalsContact C-N 3.31Å; A1372-S1374 PolarHBondContact O-N 3.09Å
1375	K	90.3	Very high	88.2	Confident	47 Å²	47	21 Å²	21	20%	0.204	11%	0.111	C	C	.	.			trans	-102.1	119.3	166.5	-61	-66.5	-176.2	-179.4	0	108.6	Y1132 F1373 Q1377 G1380 Y1381	Y1132-K1375 WeakPolarHBondContact CD2-O 3.39Å; Y1132-K1375 WeakPolarHBondContact CE2-O 3.2Å; F1373-K1375 PolarHBondContact O-N 3.21Å; K1375-Q1377 VanDerWaalsContact C-N 3.29Å; K1375-Q1377 VanDerWaalsContact C-OE1 3.3Å; K1375-Q1377 PolarHBondContact O-N 3.03Å; K1375-G1380 WeakPolarHBondContact CG-O 3.34Å; K1375-Y1381 HydrophobicContact CB-CD1 4.25Å; K1375-Y1381 HydrophobicContact CB-CD2 4.35Å; K1375-Y1381 HydrophobicContact CB-CE1 3.85Å; K1375-Y1381 HydrophobicContact CB-CE2 3.96Å; K1375-Y1381 HydrophobicContact CB-CG 4.48Å; K1375-Y1381 HydrophobicContact CG-CD1 3.66Å; K1375-Y1381 HydrophobicContact CG-CE1 3.48Å; K1375-Y1381 VanDerWaalsContact CG-CE1 3.48Å; K1375-Y1381 HydrophobicContact CG-CE2 4.43Å; K1375-Y1381 HydrophobicContact CG-CG 4.22Å; K1375-Y1381 PolarHBondContact N-OH 3.02Å
1376	T	85.9	Confident	87	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.122	C	C	.	.			trans	-92.9	20.1	-171.9	55.1	0	0	0	0	113.5	Y1132 Q1390 F1391 P1393	Y1132-T1376 VanDerWaalsContact CE2-CA 3.46Å; Y1132-T1376 HydrophobicContact CE2-CG2 4.35Å; T1376-Q1390 PolarHBondContact O-N 3.04Å; T1376-F1391 WeakPolarHBondContact CB-O 3.3Å; T1376-F1391 HydrophobicContact CG2-CD1 4.31Å; T1376-F1391 HydrophobicContact CG2-CD2 4.29Å; T1376-F1391 HydrophobicContact CG2-CE1 3.81Å; T1376-F1391 HydrophobicContact CG2-CE2 3.78Å; T1376-F1391 HydrophobicContact CG2-CZ 3.53Å; T1376-F1391 PolarHBondContact OG1-O 2.95Å; T1376-P1393 HydrophobicContact CG2-CG 3.91Å
1377	Q	85.8	Confident	85.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-129.7	150.2	-178.9	67.1	-88.8	53.1	0	0	112.7	K1375 G1379 G1380 L1388 E1389	K1375-Q1377 VanDerWaalsContact C-N 3.29Å; K1375-Q1377 VanDerWaalsContact C-OE1 3.3Å; K1375-Q1377 PolarHBondContact O-N 3.03Å; Q1377-G1379 PolarHBondContact O-N 3.24Å; Q1377-G1380 PolarHBondContact O-N 3.45Å; Q1377-L1388 VanDerWaalsContact CB-C 3.47Å; Q1377-L1388 HydrophobicContact CB-CB 3.74Å; Q1377-L1388 WeakPolarHBondContact CB-O 3.44Å; Q1377-E1389 HydrophobicContact CB-CG 4.21Å
1378	P	86.9	Confident	84.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	122.7	173	-17.4	29.5	0	0	0	113.1	Y1132 S1134 N1135 K1155 L1157	Y1132-P1378 WeakPolarHBondContact O-CA 3.21Å; S1134-P1378 VanDerWaalsContact C-CG 3.5Å; N1135-P1378 HydrophobicContact CB-CG 3.72Å; N1135-P1378 VanDerWaalsContact N-CG 3.31Å; K1155-P1378 HydrophobicContact CB-CB 4.49Å; L1157-P1378 HydrophobicContact CD2-CB 4.02Å; L1157-P1378 HydrophobicContact CG-CB 4.23Å
1379	G	84	Confident	84	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	9.6	-178.4	0	0	0	0	0	113.9	E1165 Q1377 Y1381 D1383	E1165-G1379 WeakPolarHBondContact OE1-CA 3.24Å; E1165-G1379 WeakPolarHBondContact OE2-CA 3.26Å; Q1377-G1379 PolarHBondContact O-N 3.24Å; G1379-Y1381 VanDerWaalsContact C-N 3.25Å; G1379-Y1381 PolarHBondContact O-N 3.47Å; G1379-D1383 CarbonylContact O-C 3.56Å; G1379-D1383 WeakPolarHBondContact O-CA 3.36Å; G1379-D1383 PolarHBondContact O-N 3Å
1380	G	86.6	Confident	83.2	Confident	2 Å²	2	31.1 Å²	31.1	2%	0.021	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.8	-169.5	0	0	0	0	0	116.1	E1165 K1375 Q1377	E1165-G1380 PolarHBondContact OE2-N 3.02Å; E1165-G1380 VanDerWaalsContact OE2-N 3.13Å; K1375-G1380 WeakPolarHBondContact CG-O 3.34Å; Q1377-G1380 PolarHBondContact O-N 3.45Å
1381	Y	90.4	Very high	82.5	Confident	29 Å²	29	32 Å²	32	11%	0.114	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-40.1	-178.1	-64.9	-74.5	0	0	0	113.2	V1129 P1130 L1131 E1165 I1169 M1172 F1373 K1375 G1379	V1129-Y1381 HydrophobicContact CG2-CE1 3.83Å; V1129-Y1381 HydrophobicContact CG2-CE2 4.47Å; V1129-Y1381 WeakPolarHBondContact CG2-OH 3.04Å; P1130-Y1381 WeakPolarHBondContact O-CE2 3.45Å; P1130-Y1381 VanDerWaalsContact O-CZ 3.28Å; P1130-Y1381 PolarHBondContact O-OH 3.14Å; L1131-Y1381 HydrophobicContact CD1-CD2 4.18Å; L1131-Y1381 HydrophobicContact CD1-CE2 4.41Å; E1165-Y1381 PolarHBondContact OE1-N 3.48Å; E1165-Y1381 WeakPolarHBondContact OE2-CD2 3.35Å; E1165-Y1381 PolarHBondContact OE2-N 3.39Å; I1169-Y1381 HydrophobicContact CD1-CD2 3.6Å; I1169-Y1381 HydrophobicContact CD1-CE2 3.82Å; I1169-Y1381 HydrophobicContact CD1-CG 4.11Å; I1169-Y1381 HydrophobicContact CG1-CD1 4.07Å; I1169-Y1381 HydrophobicContact CG1-CD2 3.73Å; I1169-Y1381 HydrophobicContact CG1-CE1 4.47Å; I1169-Y1381 HydrophobicContact CG1-CE2 4.17Å; I1169-Y1381 HydrophobicContact CG1-CG 3.68Å; M1172-Y1381 HydrophobicContact CE-CD1 3.65Å; M1172-Y1381 HydrophobicContact CE-CE1 4.03Å; F1373-Y1381 WeakPolarHBondContact O-CE1 3.28Å; K1375-Y1381 HydrophobicContact CB-CD1 4.25Å; K1375-Y1381 HydrophobicContact CB-CD2 4.35Å; K1375-Y1381 HydrophobicContact CB-CE1 3.85Å; K1375-Y1381 HydrophobicContact CB-CE2 3.96Å; K1375-Y1381 HydrophobicContact CB-CG 4.48Å; K1375-Y1381 HydrophobicContact CG-CD1 3.66Å; K1375-Y1381 HydrophobicContact CG-CE1 3.48Å; K1375-Y1381 VanDerWaalsContact CG-CE1 3.48Å; K1375-Y1381 HydrophobicContact CG-CE2 4.43Å; K1375-Y1381 HydrophobicContact CG-CG 4.22Å; K1375-Y1381 PolarHBondContact N-OH 3.02Å; G1379-Y1381 VanDerWaalsContact C-N 3.25Å; G1379-Y1381 PolarHBondContact O-N 3.47Å
1382	A	86.9	Confident	81.9	Confident	40 Å²	40	34.9 Å²	34.9	33%	0.331	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-42.4	175.7	0	0	0	0	0	111.6	R1164 E1165 A1168	R1164-A1382 HydrophobicContact CB-CB 3.97Å; E1165-A1382 WeakPolarHBondContact OE1-CA 3.43Å; E1165-A1382 WeakPolarHBondContact OE1-CB 3.11Å; E1165-A1382 PolarHBondContact OE1-N 3.27Å; A1168-A1382 HydrophobicContact CB-CB 4.45Å
1383	D	74.5	Confident	81.7	Confident	54 Å²	54	36.6 Å²	36.6	29%	0.289	20%	0.198	S	C	.	.	S	Bend	trans	-124.4	86.7	-172.7	-61.6	-40.1	0	0	0	110.8	R1164 G1379 H1385	R1164-D1383 IonicContact CZ-OD2 3.27Å; R1164-D1383 IonicContact NE-OD2 3.07Å; R1164-D1383 IonicContact NH2-OD2 2.68Å; R1164-D1383 PolarHBondContact NH2-OD2 2.81Å; G1379-D1383 CarbonylContact O-C 3.56Å; G1379-D1383 WeakPolarHBondContact O-CA 3.36Å; G1379-D1383 PolarHBondContact O-N 3Å; D1383-H1385 PolarHBondContact O-CD2 3.21Å; D1383-H1385 VanDerWaalsContact O-CD2 3.31Å; D1383-H1385 PolarHBondContact O-N 3.18Å
1384	N	72.7	Confident	81.6	Confident	101 Å²	101	39 Å²	39	54%	0.54	21%	0.209	S	C	.	.			trans	-67.3	86.8	-172.8	-172.6	41.5	0	0	0	113.9	P1386	N1384-P1386 VanDerWaalsContact O-CD 3.23Å; N1384-P1386 WeakPolarHBondContact O-CD 3.42Å
1385	H	72.4	Confident	81.7	Confident	73 Å²	73	38.6 Å²	38.6	34%	0.338	21%	0.207	S	C	.	.			trans	-106.6	85.5	176.1	-73.3	-70.4	0	0	0	111.8	D1383 E1387 L1388	D1383-H1385 PolarHBondContact O-CD2 3.21Å; D1383-H1385 VanDerWaalsContact O-CD2 3.31Å; D1383-H1385 PolarHBondContact O-N 3.18Å; H1385-E1387 VanDerWaalsContact C-OE2 3.22Å; H1385-E1387 WeakPolarHBondContact CA-OE2 3.17Å; H1385-E1387 IonicContact CG-OE1 3.45Å; H1385-E1387 IonicContact ND1-OE1 3.76Å; H1385-E1387 PolarHBondContact ND1-OE1 2.92Å; H1385-E1387 PolarHBondContact O-N 3.34Å; H1385-L1388 HydrophobicContact CB-CD1 3.94Å; H1385-L1388 HydrophobicContact CB-CG 4.3Å; H1385-L1388 PolarHBondContact O-N 3.38Å
1386	P	68.8	Low	81.6	Confident	69 Å²	69	42.3 Å²	42.3	45%	0.448	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-65.3	-18.8	-173.7	25.4	-33.5	0	0	0	114.1	N1384 L1388 E1389	N1384-P1386 VanDerWaalsContact O-CD 3.23Å; N1384-P1386 WeakPolarHBondContact O-CD 3.42Å; P1386-L1388 PolarHBondContact O-N 3.3Å; P1386-E1389 VanDerWaalsContact O-CG 3.31Å; P1386-E1389 WeakPolarHBondContact O-CG 3.28Å; P1386-E1389 PolarHBondContact O-N 2.71Å
1387	E	68.8	Low	82	Confident	101 Å²	101	44.6 Å²	44.6	47%	0.472	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.9	-5.9	176.3	72	-82.9	-166.5	0	0	114.3	H1385	H1385-E1387 VanDerWaalsContact C-OE2 3.22Å; H1385-E1387 WeakPolarHBondContact CA-OE2 3.17Å; H1385-E1387 IonicContact CG-OE1 3.45Å; H1385-E1387 IonicContact ND1-OE1 3.76Å; H1385-E1387 PolarHBondContact ND1-OE1 2.92Å; H1385-E1387 PolarHBondContact O-N 3.34Å
1388	L	74.2	Confident	82.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-107.1	9	-177.7	-59.3	179.6	0	0	0	113.3	F1146 K1153 K1155 Q1377 H1385 P1386	F1146-L1388 WeakPolarHBondContact CE1-O 3.34Å; K1153-L1388 HydrophobicContact CB-CD2 3.67Å; K1153-L1388 HydrophobicContact CD-CD2 4.24Å; K1153-L1388 HydrophobicContact CG-CD2 3.98Å; K1153-L1388 WeakPolarHBondContact O-CD2 3.38Å; K1155-L1388 HydrophobicContact CB-CD1 4.22Å; K1155-L1388 HydrophobicContact CD-CD1 4.19Å; Q1377-L1388 VanDerWaalsContact CB-C 3.47Å; Q1377-L1388 HydrophobicContact CB-CB 3.74Å; Q1377-L1388 WeakPolarHBondContact CB-O 3.44Å; H1385-L1388 HydrophobicContact CB-CD1 3.94Å; H1385-L1388 HydrophobicContact CB-CG 4.3Å; H1385-L1388 PolarHBondContact O-N 3.38Å; P1386-L1388 PolarHBondContact O-N 3.3Å
1389	E	78.1	Confident	82.5	Confident	55 Å²	55	50.4 Å²	50.4	26%	0.257	26%	0.259	S	S	.	.			trans	-70	143.1	-175.8	-73.5	177.3	-178.2	0	0	114.1	Q1377 P1386	Q1377-E1389 HydrophobicContact CB-CG 4.21Å; P1386-E1389 VanDerWaalsContact O-CG 3.31Å; P1386-E1389 WeakPolarHBondContact O-CG 3.28Å; P1386-E1389 PolarHBondContact O-N 2.71Å
1390	Q	77.3	Confident	82.9	Confident	35 Å²	35	54.8 Å²	54.8	16%	0.164	28%	0.279	C	S	.	.	S	Bend	trans	-77.5	-41.4	172.5	-166.2	-170.4	31.5	0	0	112.5	Y1132 G1145 F1146 C1317 T1376	Y1132-Q1390 HydrophobicContact CE1-CB 4.11Å; Y1132-Q1390 PolarHBondContact OH-OE1 3.25Å; G1145-Q1390 PolarHBondContact N-O 3.47Å; F1146-Q1390 HydrophobicContact CD1-CB 4.25Å; F1146-Q1390 HydrophobicContact CD1-CG 4.36Å; F1146-Q1390 HydrophobicContact CD2-CB 4.37Å; F1146-Q1390 HydrophobicContact CD2-CG 4.13Å; F1146-Q1390 HydrophobicContact CE1-CB 3.8Å; F1146-Q1390 HydrophobicContact CE1-CG 4.39Å; F1146-Q1390 HydrophobicContact CE2-CB 3.95Å; F1146-Q1390 HydrophobicContact CE2-CG 4.18Å; F1146-Q1390 HydrophobicContact CG-CG 4.22Å; F1146-Q1390 HydrophobicContact CZ-CB 3.64Å; F1146-Q1390 HydrophobicContact CZ-CG 4.3Å; C1317-Q1390 VanDerWaalsContact CB-O 3.29Å; C1317-Q1390 WeakPolarHBondContact CB-O 3.44Å; T1376-Q1390 PolarHBondContact O-N 3.04Å
1391	F	79.8	Confident	83.2	Confident	17 Å²	17	57 Å²	57	8%	0.075	30%	0.298	C	S	.	.	S	Bend	trans	-157.7	156.1	175.4	64.9	-91.3	0	0	0	108.3	R1315 R1353 T1376 P1393	R1315-F1391 HydrophobicContact CB-CB 4.37Å; R1315-F1391 HydrophobicContact CB-CD2 4.49Å; R1353-F1391 HydrophobicContact CG-CD2 4.13Å; R1353-F1391 HydrophobicContact CG-CE2 3.45Å; R1353-F1391 VanDerWaalsContact CG-CE2 3.45Å; R1353-F1391 HydrophobicContact CG-CZ 3.84Å; T1376-F1391 WeakPolarHBondContact CB-O 3.3Å; T1376-F1391 HydrophobicContact CG2-CD1 4.31Å; T1376-F1391 HydrophobicContact CG2-CD2 4.29Å; T1376-F1391 HydrophobicContact CG2-CE1 3.81Å; T1376-F1391 HydrophobicContact CG2-CE2 3.78Å; T1376-F1391 HydrophobicContact CG2-CZ 3.53Å; T1376-F1391 PolarHBondContact OG1-O 2.95Å; F1391-P1393 WeakPolarHBondContact O-CD 3.23Å
1392	S	81.6	Confident	83.4	Confident	62 Å²	62	55.7 Å²	55.7	43%	0.434	29%	0.293	S	S	.	.			trans	-81.2	120.2	177.6	-55	0	0	0	0	111.8
1393	P	86.8	Confident	83.7	Confident	36 Å²	36	54.3 Å²	54.3	23%	0.234	28%	0.282	C	S	.	.			trans	-58.3	149.7	170.3	-21.5	33.7	0	0	0	111.5	T1376 F1391	T1376-P1393 HydrophobicContact CG2-CG 3.91Å; F1391-P1393 WeakPolarHBondContact O-CD 3.23Å
1394	H	90.6	Very high	84.6	Confident	85 Å²	85	54.7 Å²	54.7	39%	0.394	29%	0.292	S	S	.	.	S	Bend	trans	-100.9	-28.9	175.2	-162.8	177.4	0	0	0	112	T1352 R1353 S1355	T1352-H1394 PolarHBondContact O-N 2.69Å; R1353-H1394 VanDerWaalsContact O-CB 3.29Å; R1353-H1394 WeakPolarHBondContact O-CB 3.47Å; S1355-H1394 VanDerWaalsContact CB-CE1 3.4Å; S1355-H1394 WeakPolarHBondContact CB-CE1 3.18Å; S1355-H1394 PolarHBondContact N-ND1 3.31Å
1395	D	92.4	Very high	85.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.274	C	S	.	.			trans	-106.8	103.3	171.3	-170.7	-7.3	0	0	0	109.9	T1352 P1356 R1359 R1397	T1352-D1395 WeakPolarHBondContact CB-O 3.48Å; T1352-D1395 HydrophobicContact CG2-CB 4.43Å; T1352-D1395 WeakPolarHBondContact CG2-O 3.28Å; T1352-D1395 PolarHBondContact O-N 3.38Å; T1352-D1395 VanDerWaalsContact O-N 3.09Å; P1356-D1395 HydrophobicContact CG-CB 4.02Å; R1359-D1395 WeakPolarHBondContact CD-OD2 3.23Å; R1359-D1395 IonicContact CZ-OD2 3.63Å; R1359-D1395 IonicContact NE-OD2 2.66Å; R1359-D1395 VanDerWaalsContact NH1-CG 3.34Å; R1359-D1395 IonicContact NH1-OD2 3.23Å; R1359-D1395 PolarHBondContact NH1-OD2 3.01Å; D1395-R1397 WeakPolarHBondContact OD1-CB 3.24Å; D1395-R1397 WeakPolarHBondContact OD1-CG 3.42Å; D1395-R1397 IonicContact OD1-CZ 3.06Å; D1395-R1397 PolarHBondContact OD1-N 2.95Å; D1395-R1397 VanDerWaalsContact OD1-N 3.13Å; D1395-R1397 IonicContact OD1-NE 2.89Å; D1395-R1397 PolarHBondContact OD1-NE 3.22Å; D1395-R1397 IonicContact OD1-NH2 3.94Å; D1395-R1397 IonicContact OD2-CZ 3.52Å; D1395-R1397 IonicContact OD2-NE 3.34Å; D1395-R1397 PolarHBondContact OD2-NE 2.93Å; D1395-R1397 IonicContact OD2-NH2 3.02Å; D1395-R1397 PolarHBondContact OD2-NH2 3.1Å
1396	D	89.6	Confident	86.6	Confident	125 Å²	125	47.4 Å²	47.4	67%	0.668	26%	0.258	S	S	*	.			trans	-98.8	8.6	179.4	66.7	-20.8	0	0	0	112.8	F1373 R1398	F1373-D1396 WeakPolarHBondContact CD2-O 3.48Å; D1396-R1398 PolarHBondContact O-N 2.82Å
1397	R	93.4	Very high	87.8	Confident	49 Å²	49	48 Å²	48	19%	0.185	26%	0.261	C	S	.	.			trans	-60.6	138.4	178.7	-66.6	179.9	-63.9	176.9	-0.7	110.7	D1360 F1373 D1395 A1401 V1402	D1360-R1397 IonicContact OD1-CZ 3.54Å; D1360-R1397 IonicContact OD1-NH1 3.93Å; D1360-R1397 PolarHBondContact OD1-NH1 3.48Å; D1360-R1397 IonicContact OD1-NH2 3.86Å; D1360-R1397 PolarHBondContact OD1-NH2 3.3Å; D1360-R1397 IonicContact OD2-CZ 2.77Å; D1360-R1397 IonicContact OD2-NH1 3.89Å; D1360-R1397 PolarHBondContact OD2-NH1 2.99Å; D1360-R1397 IonicContact OD2-NH2 2.8Å; F1373-R1397 PolarHBondContact N-O 3.4Å; D1395-R1397 WeakPolarHBondContact OD1-CB 3.24Å; D1395-R1397 WeakPolarHBondContact OD1-CG 3.42Å; D1395-R1397 IonicContact OD1-CZ 3.06Å; D1395-R1397 PolarHBondContact OD1-N 2.95Å; D1395-R1397 VanDerWaalsContact OD1-N 3.13Å; D1395-R1397 IonicContact OD1-NE 2.89Å; D1395-R1397 PolarHBondContact OD1-NE 3.22Å; D1395-R1397 IonicContact OD1-NH2 3.94Å; D1395-R1397 IonicContact OD2-CZ 3.52Å; D1395-R1397 IonicContact OD2-NE 3.34Å; D1395-R1397 PolarHBondContact OD2-NE 2.93Å; D1395-R1397 IonicContact OD2-NH2 3.02Å; D1395-R1397 PolarHBondContact OD2-NH2 3.1Å; R1397-A1401 HydrophobicContact CB-CB 4.3Å; R1397-V1402 HydrophobicContact CB-CG2 3.94Å
1398	R	91.8	Very high	89	Confident	122 Å²	122	47.6 Å²	47.6	46%	0.46	27%	0.274	S	S	.	.			trans	-62.3	153.4	170.8	-64.9	-167.3	65.2	90.8	0.7	111.1	F1373 D1396 E1400 A1401 V1402	F1373-R1398 HydrophobicContact CD2-CG 4.14Å; F1373-R1398 HydrophobicContact CE2-CG 4.01Å; F1373-R1398 HydrophobicContact CZ-CG 4.46Å; D1396-R1398 PolarHBondContact O-N 2.82Å; R1398-E1400 WeakPolarHBondContact CB-OE2 3.16Å; R1398-E1400 IonicContact NE-OE2 3.72Å; R1398-E1400 PolarHBondContact O-N 3.01Å; R1398-E1400 VanDerWaalsContact O-N 3.17Å; R1398-A1401 WeakPolarHBondContact O-CB 3.37Å; R1398-A1401 PolarHBondContact O-N 3.38Å; R1398-V1402 PolarHBondContact O-N 2.58Å
1399	P	91.4	Very high	89.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-34.1	-173.9	-26.7	39.5	0	0	0	114	M1172 F1174 A1372 F1373 A1401 V1402 A1403 W1415	M1172-P1399 HydrophobicContact CB-CG 4.42Å; M1172-P1399 HydrophobicContact SD-CG 4.3Å; F1174-P1399 HydrophobicContact CE2-CB 4.03Å; F1174-P1399 HydrophobicContact CE2-CG 3.42Å; F1174-P1399 VanDerWaalsContact CE2-CG 3.42Å; F1174-P1399 HydrophobicContact CZ-CB 3.88Å; F1174-P1399 HydrophobicContact CZ-CG 3.6Å; A1372-P1399 HydrophobicContact CB-CB 4.18Å; A1372-P1399 HydrophobicContact CB-CG 4.36Å; F1373-P1399 HydrophobicContact CB-CG 3.77Å; P1399-A1401 VanDerWaalsContact C-N 3.33Å; P1399-A1401 PolarHBondContact O-N 2.9Å; P1399-V1402 PolarHBondContact O-N 3.11Å; P1399-A1403 WeakPolarHBondContact O-CB 3.47Å; P1399-A1403 PolarHBondContact O-N 3.19Å; P1399-W1415 HydrophobicContact CB-CH2 3.46Å; P1399-W1415 VanDerWaalsContact CB-CH2 3.46Å; P1399-W1415 HydrophobicContact CB-CZ3 3.82Å
1400	E	92	Very high	90.4	Very high	93 Å²	93	51.2 Å²	51.2	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-66.1	-36	179.7	-50.6	82.1	178.8	0	0	111.8	R1398 A1403 A1404	R1398-E1400 WeakPolarHBondContact CB-OE2 3.16Å; R1398-E1400 IonicContact NE-OE2 3.72Å; R1398-E1400 PolarHBondContact O-N 3.01Å; R1398-E1400 VanDerWaalsContact O-N 3.17Å; E1400-A1403 PolarHBondContact O-N 3.23Å; E1400-A1404 WeakPolarHBondContact O-CB 3.43Å; E1400-A1404 PolarHBondContact O-N 2.85Å
1401	A	94	Very high	91.2	Very high	49 Å²	49	50 Å²	50	41%	0.405	30%	0.3	S	S	.	.	H	α-helix	trans	-71.2	-38	176.8	0	0	0	0	0	111.8	R1397 R1398 P1399 A1404 A1405	R1397-A1401 HydrophobicContact CB-CB 4.3Å; R1398-A1401 WeakPolarHBondContact O-CB 3.37Å; R1398-A1401 PolarHBondContact O-N 3.38Å; P1399-A1401 VanDerWaalsContact C-N 3.33Å; P1399-A1401 PolarHBondContact O-N 2.9Å; A1401-A1404 PolarHBondContact O-N 3.33Å; A1401-A1405 PolarHBondContact O-N 3.09Å
1402	V	93.4	Very high	91.7	Very high	1 Å²	1	55 Å²	55	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-45.6	173.6	-175.9	0	0	0	0	109.9	F1127 A1372 R1397 R1398 P1399 A1404 A1405 L1406	F1127-V1402 HydrophobicContact CE1-CG1 4.43Å; F1127-V1402 HydrophobicContact CZ-CB 4.23Å; F1127-V1402 HydrophobicContact CZ-CG1 3.82Å; A1372-V1402 HydrophobicContact CB-CB 4.26Å; A1372-V1402 HydrophobicContact CB-CG1 4.48Å; A1372-V1402 HydrophobicContact CB-CG2 4.05Å; R1397-V1402 HydrophobicContact CB-CG2 3.94Å; R1398-V1402 PolarHBondContact O-N 2.58Å; P1399-V1402 PolarHBondContact O-N 3.11Å; V1402-A1404 VanDerWaalsContact C-N 3.33Å; V1402-A1404 PolarHBondContact O-N 3.21Å; V1402-A1405 PolarHBondContact O-N 3.17Å; V1402-L1406 WeakPolarHBondContact O-CG 3.44Å; V1402-L1406 PolarHBondContact O-N 2.86Å
1403	A	93.3	Very high	92.2	Very high	12 Å²	12	53.1 Å²	53.1	10%	0.099	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-42.9	176.6	0	0	0	0	0	112.2	F1127 P1399 E1400 L1406 T1407 P1413 W1415	F1127-A1403 HydrophobicContact CE2-CB 4Å; F1127-A1403 HydrophobicContact CZ-CB 4.2Å; P1399-A1403 WeakPolarHBondContact O-CB 3.47Å; P1399-A1403 PolarHBondContact O-N 3.19Å; E1400-A1403 PolarHBondContact O-N 3.23Å; A1403-L1406 PolarHBondContact O-N 3.29Å; A1403-T1407 WeakPolarHBondContact O-CB 3.16Å; A1403-T1407 PolarHBondContact O-N 3.46Å; A1403-T1407 PolarHBondContact O-OG1 3.13Å; A1403-P1413 HydrophobicContact CB-CB 4.05Å; A1403-P1413 HydrophobicContact CB-CG 3.9Å; A1403-W1415 HydrophobicContact CB-CZ2 4.06Å
1404	A	94.1	Very high	92.2	Very high	61 Å²	61	52.6 Å²	52.6	50%	0.504	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-42	176.5	0	0	0	0	0	112.2	E1400 A1401 V1402 L1406 T1407 A1408	E1400-A1404 WeakPolarHBondContact O-CB 3.43Å; E1400-A1404 PolarHBondContact O-N 2.85Å; A1401-A1404 PolarHBondContact O-N 3.33Å; V1402-A1404 VanDerWaalsContact C-N 3.33Å; V1402-A1404 PolarHBondContact O-N 3.21Å; A1404-L1406 PolarHBondContact O-N 2.98Å; A1404-T1407 PolarHBondContact O-N 3.29Å; A1404-A1408 WeakPolarHBondContact O-CB 3.43Å; A1404-A1408 PolarHBondContact O-N 2.96Å
1405	A	93.6	Very high	92	Very high	21 Å²	21	51.7 Å²	51.7	17%	0.174	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-41.5	176.8	0	0	0	0	0	112.2	A1401 V1402	A1401-A1405 PolarHBondContact O-N 3.09Å; V1402-A1405 PolarHBondContact O-N 3.17Å
1406	L	93.5	Very high	90.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-43	175.7	-62.9	-170.8	0	0	0	112.2	V1125 F1127 I1363 V1402 A1403 A1404 A1408 Q1409 G1410 L1411	V1125-L1406 HydrophobicContact CB-CD1 4.02Å; V1125-L1406 HydrophobicContact CG1-CD1 3.92Å; V1125-L1406 HydrophobicContact CG2-CD1 4.44Å; F1127-L1406 HydrophobicContact CE1-CD1 3.48Å; F1127-L1406 VanDerWaalsContact CE1-CD1 3.48Å; F1127-L1406 HydrophobicContact CZ-CD1 3.83Å; I1363-L1406 HydrophobicContact CB-CD2 4.2Å; I1363-L1406 HydrophobicContact CD1-CD2 3.86Å; I1363-L1406 HydrophobicContact CG2-CD2 3.71Å; V1402-L1406 WeakPolarHBondContact O-CG 3.44Å; V1402-L1406 PolarHBondContact O-N 2.86Å; A1403-L1406 PolarHBondContact O-N 3.29Å; A1404-L1406 PolarHBondContact O-N 2.98Å; L1406-A1408 VanDerWaalsContact C-N 3.29Å; L1406-A1408 PolarHBondContact O-N 2.68Å; L1406-Q1409 PolarHBondContact O-N 3.07Å; L1406-G1410 PolarHBondContact O-N 3.15Å; L1406-L1411 CarbonylContact C-O 3.56Å; L1406-L1411 HydrophobicContact CB-CB 4.13Å; L1406-L1411 HydrophobicContact CD2-CD1 4.21Å; L1406-L1411 WeakPolarHBondContact O-CB 3.39Å; L1406-L1411 PolarHBondContact O-N 3.42Å
1407	T	94	Very high	89.3	Confident	83 Å²	83	52.1 Å²	52.1	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-40.4	178.6	-56.5	0	0	0	0	111.3	A1403 A1404 Q1409 G1410 L1411	A1403-T1407 WeakPolarHBondContact O-CB 3.16Å; A1403-T1407 PolarHBondContact O-N 3.46Å; A1403-T1407 PolarHBondContact O-OG1 3.13Å; A1404-T1407 PolarHBondContact O-N 3.29Å; T1407-Q1409 PolarHBondContact O-N 3.29Å; T1407-Q1409 VanDerWaalsContact O-N 3.13Å; T1407-G1410 PolarHBondContact O-N 3.03Å; T1407-L1411 WeakPolarHBondContact CA-O 3.31Å
1408	A	93.3	Very high	87.8	Confident	91 Å²	91	55.4 Å²	55.4	75%	0.752	31%	0.312	S	S	*	.	H	α-helix	trans	-62	-19.1	176.4	0	0	0	0	0	113.5	A1404 L1406	A1404-A1408 WeakPolarHBondContact O-CB 3.43Å; A1404-A1408 PolarHBondContact O-N 2.96Å; L1406-A1408 VanDerWaalsContact C-N 3.29Å; L1406-A1408 PolarHBondContact O-N 2.68Å
1409	Q	91.7	Very high	86.3	Confident	82 Å²	82	50.3 Å²	50.3	38%	0.383	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	9.4	177.1	-62.9	179.6	-1.5	0	0	113.3	D1360 L1406 T1407 L1411	D1360-Q1409 VanDerWaalsContact O-CD 3.3Å; D1360-Q1409 PolarHBondContact O-NE2 2.68Å; D1360-Q1409 PolarHBondContact O-OE1 2.87Å; L1406-Q1409 PolarHBondContact O-N 3.07Å; T1407-Q1409 PolarHBondContact O-N 3.29Å; T1407-Q1409 VanDerWaalsContact O-N 3.13Å; Q1409-L1411 VanDerWaalsContact C-N 3.31Å
1410	G	90.9	Very high	84.4	Confident	51 Å²	51	53 Å²	53	53%	0.526	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	15.6	-179.1	0	0	0	0	0	114.2	L1406 T1407	L1406-G1410 PolarHBondContact O-N 3.15Å; T1407-G1410 PolarHBondContact O-N 3.03Å
1411	L	93	Very high	82.7	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.052	33%	0.328	C	S	.	.			trans	-95.9	149.6	175.1	-56.7	-179.9	0	0	0	110.8	N1123 V1125 I1363 P1364 L1406 T1407 Q1409 P1413	N1123-L1411 WeakPolarHBondContact O-CA 3.43Å; V1125-L1411 HydrophobicContact CG2-CB 4.26Å; V1125-L1411 HydrophobicContact CG2-CD1 4.06Å; I1363-L1411 HydrophobicContact CG2-CD1 3.71Å; P1364-L1411 HydrophobicContact CB-CD1 4.47Å; P1364-L1411 HydrophobicContact CG-CD1 4.09Å; L1406-L1411 CarbonylContact C-O 3.56Å; L1406-L1411 HydrophobicContact CB-CB 4.13Å; L1406-L1411 HydrophobicContact CD2-CD1 4.21Å; L1406-L1411 WeakPolarHBondContact O-CB 3.39Å; L1406-L1411 PolarHBondContact O-N 3.42Å; T1407-L1411 WeakPolarHBondContact CA-O 3.31Å; Q1409-L1411 VanDerWaalsContact C-N 3.31Å; L1411-P1413 WeakPolarHBondContact O-CD 3.42Å
1412	Q	92.2	Very high	80.2	Confident	120 Å²	120	60.9 Å²	60.9	56%	0.561	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.1	179.9	-175.3	175.6	-2	0	0	109.9	N1123 T1124 V1125 V1414	N1123-Q1412 PolarHBondContact O-N 2.9Å; T1124-Q1412 WeakPolarHBondContact CA-O 3.44Å; V1125-Q1412 PolarHBondContact N-O 2.78Å; Q1412-V1414 PolarHBondContact O-N 3.21Å
1413	P	90.9	Very high	77.8	Confident	24 Å²	24	64.1 Å²	64.1	16%	0.156	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.5	172.1	26.9	-32.2	0	0	0	110	F1127 A1403 L1411	F1127-P1413 HydrophobicContact CE1-CB 4.01Å; F1127-P1413 HydrophobicContact CE2-CB 4.25Å; F1127-P1413 HydrophobicContact CZ-CB 3.83Å; A1403-P1413 HydrophobicContact CB-CB 4.05Å; A1403-P1413 HydrophobicContact CB-CG 3.9Å; L1411-P1413 WeakPolarHBondContact O-CD 3.42Å
1414	V	88.3	Confident	75.7	Confident	25 Å²	25	71.1 Å²	71.1	15%	0.152	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.7	-179.6	176	0	0	0	0	109.7	T1124 V1125 F1127 Q1412	T1124-V1414 HydrophobicContact CG2-CG2 3.95Å; V1125-V1414 PolarHBondContact O-N 3.01Å; F1127-V1414 PolarHBondContact N-O 3.39Å; Q1412-V1414 PolarHBondContact O-N 3.21Å
1415	W	85.5	Confident	73.2	Confident	66 Å²	66	72.3 Å²	72.3	25%	0.25	40%	0.404	C	S	.	.			trans	-88.7	-2.7	-179.6	-58.8	81.1	0	0	0	113.7	F1127 M1172 F1174 E1175 P1399 A1403	F1127-W1415 HydrophobicContact CD2-CD2 4.23Å; F1127-W1415 HydrophobicContact CD2-CE3 4.24Å; F1127-W1415 HydrophobicContact CD2-CH2 4.19Å; F1127-W1415 HydrophobicContact CD2-CZ2 4.11Å; F1127-W1415 HydrophobicContact CD2-CZ3 4.22Å; F1127-W1415 HydrophobicContact CE2-CH2 4.39Å; F1127-W1415 HydrophobicContact CE2-CZ2 4.12Å; M1172-W1415 WeakPolarHBondContact O-CZ3 3.09Å; F1174-W1415 HydrophobicContact CD1-CE3 4.39Å; F1174-W1415 HydrophobicContact CD1-CZ3 4.47Å; F1174-W1415 HydrophobicContact CE1-CZ3 4.42Å; F1174-W1415 HydrophobicContact CZ-CZ3 4.45Å; E1175-W1415 WeakPolarHBondContact CB-O 3.41Å; P1399-W1415 HydrophobicContact CB-CH2 3.46Å; P1399-W1415 VanDerWaalsContact CB-CH2 3.46Å; P1399-W1415 HydrophobicContact CB-CZ3 3.82Å; A1403-W1415 HydrophobicContact CB-CZ2 4.06Å
1416	K	68.6	Low	70.9	Confident	37 Å²	37	73.2 Å²	73.2	16%	0.161	41%	0.409	C	S	.	.			trans	69.3	68.5	-176.4	-164.7	174	175.2	166.8	0	114.3	E1175 H1176 S1206	E1175-K1416 HydrophobicContact CB-CB 4.44Å; E1175-K1416 WeakPolarHBondContact CB-O 3.49Å; H1176-K1416 HydrophobicContact CB-CD 4.45Å; S1206-K1416 PolarHBondContact OG-NZ 2.89Å
1417	D	56.1	Low	68.6	Low	97 Å²	97	80.1 Å²	80.1	52%	0.519	44%	0.441	S	S	.	.			trans	-107.2	0.9	179.8	68.5	-17.6	0	0	0	115.1	S1420	D1417-S1420 PolarHBondContact O-OG 3.16Å; D1417-S1420 VanDerWaalsContact O-OG 3.08Å
1418	W	62.5	Low	66.1	Low	118 Å²	118	83.5 Å²	83.5	45%	0.447	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-88.3	-11.2	-168.5	56.7	-93.7	0	0	0	115.8	S1420 Y1421 L1422	W1418-S1420 PolarHBondContact O-N 3Å; W1418-S1420 VanDerWaalsContact O-N 3.14Å; W1418-Y1421 WeakPolarHBondContact O-CB 3.44Å; W1418-Y1421 PolarHBondContact O-N 3.38Å; W1418-L1422 HydrophobicContact CE3-CD1 4.01Å; W1418-L1422 HydrophobicContact CE3-CG 4.27Å; W1418-L1422 HydrophobicContact CZ3-CD1 3.52Å; W1418-L1422 HydrophobicContact CZ3-CG 4.28Å
1419	D	59.7	Low	63.2	Low	16 Å²	16	88.3 Å²	88.3	9%	0.086	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-56.9	-32.3	178.2	-83.3	-54.3	0	0	0	111.7	Y1421 L1422 R1424	D1419-Y1421 PolarHBondContact O-N 3.41Å; D1419-L1422 PolarHBondContact O-N 3.43Å; D1419-R1424 CarbonylContact C-O 3.44Å; D1419-R1424 HydrophobicContact CB-CB 4.31Å; D1419-R1424 WeakPolarHBondContact O-CB 3.25Å; D1419-R1424 PolarHBondContact O-N 3.38Å; D1419-R1424 IonicContact OD1-NH1 3.49Å
1420	S	52.6	Low	61.8	Low	55 Å²	55	88.6 Å²	88.6	39%	0.385	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-58	-31.9	172.8	63.6	0	0	0	0	113.7	D1417 W1418 L1422 G1423 R1424	D1417-S1420 PolarHBondContact O-OG 3.16Å; D1417-S1420 VanDerWaalsContact O-OG 3.08Å; W1418-S1420 PolarHBondContact O-N 3Å; W1418-S1420 VanDerWaalsContact O-N 3.14Å; S1420-L1422 VanDerWaalsContact C-N 3.34Å; S1420-G1423 PolarHBondContact O-N 3.07Å; S1420-R1424 WeakPolarHBondContact CA-O 3.46Å
1421	Y	55.6	Low	60.3	Low	195 Å²	195	90.6 Å²	90.6	77%	0.765	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-77.1	-18	177.1	-70.9	-95.3	0	0	0	113.4	W1418 D1419 G1423	W1418-Y1421 WeakPolarHBondContact O-CB 3.44Å; W1418-Y1421 PolarHBondContact O-N 3.38Å; D1419-Y1421 PolarHBondContact O-N 3.41Å; Y1421-G1423 VanDerWaalsContact C-N 3.29Å
1422	L	42.3	Very low	58.4	Low	114 Å²	114	95.1 Å²	95.1	60%	0.597	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-89.1	10	172.6	-68	-172.7	0	0	0	113.2	W1418 D1419 S1420 R1424	W1418-L1422 HydrophobicContact CE3-CD1 4.01Å; W1418-L1422 HydrophobicContact CE3-CG 4.27Å; W1418-L1422 HydrophobicContact CZ3-CD1 3.52Å; W1418-L1422 HydrophobicContact CZ3-CG 4.28Å; D1419-L1422 PolarHBondContact O-N 3.43Å; S1420-L1422 VanDerWaalsContact C-N 3.34Å; L1422-R1424 PolarHBondContact O-N 2.96Å
1423	G	42	Very low	56.5	Low	69 Å²	69	93.6 Å²	93.6	71%	0.711	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	6.8	-176	0	0	0	0	0	113.6	S1420 Y1421 A1425	S1420-G1423 PolarHBondContact O-N 3.07Å; Y1421-G1423 VanDerWaalsContact C-N 3.29Å; G1423-A1425 PolarHBondContact O-N 3.17Å; G1423-A1425 VanDerWaalsContact O-N 3.13Å
1424	R	49.3	Very low	54.3	Low	159 Å²	159	97.9 Å²	97.9	60%	0.6	51%	0.51	S	S	*	.			trans	-78.5	96.2	166.2	-64.3	179.9	177.3	-170.8	-4.3	105.9	D1419 S1420 L1422 S1426	D1419-R1424 CarbonylContact C-O 3.44Å; D1419-R1424 HydrophobicContact CB-CB 4.31Å; D1419-R1424 WeakPolarHBondContact O-CB 3.25Å; D1419-R1424 PolarHBondContact O-N 3.38Å; D1419-R1424 IonicContact OD1-NH1 3.49Å; S1420-R1424 WeakPolarHBondContact CA-O 3.46Å; L1422-R1424 PolarHBondContact O-N 2.96Å; R1424-S1426 PolarHBondContact O-N 3.5Å
1425	A	42.9	Very low	52.1	Low	85 Å²	85	102.8 Å²	102.8	70%	0.702	53%	0.534	S	S	*	.			trans	-53.6	108.1	178.5	0	0	0	0	0	108.7	G1423 Q1427	G1423-A1425 PolarHBondContact O-N 3.17Å; G1423-A1425 VanDerWaalsContact O-N 3.13Å; A1425-Q1427 PolarHBondContact O-N 2.73Å; A1425-Q1427 VanDerWaalsContact O-N 3.17Å
1426	S	45.3	Very low	49.7	Very low	40 Å²	40	105.4 Å²	105.4	28%	0.28	55%	0.554	S	S	.	*			trans	-56.6	121.6	153.1	63.7	0	0	0	0	104	R1424 R1428	R1424-S1426 PolarHBondContact O-N 3.5Å; S1426-R1428 PolarHBondContact O-N 2.68Å
1427	Q	44.1	Very low	48.2	Very low	145 Å²	145	110.7 Å²	110.7	68%	0.678	58%	0.584	S	S	*	*			trans	-69.8	57.3	172.7	-66.7	-166.4	8.2	0	0	109.8	A1425 P1429	A1425-Q1427 PolarHBondContact O-N 2.73Å; A1425-Q1427 VanDerWaalsContact O-N 3.17Å; Q1427-P1429 VanDerWaalsContact O-CD 3.25Å; Q1427-P1429 WeakPolarHBondContact O-CD 3.45Å
1428	R	41.4	Very low	47.6	Very low	155 Å²	155	111.8 Å²	111.8	59%	0.585	59%	0.59	S	S	*	*			trans	-74.2	117.2	163.6	-77.6	-175.8	-179.3	-177.5	2.4	106.2	S1426	S1426-R1428 PolarHBondContact O-N 2.68Å
1429	P	33.2	Very low	46.2	Very low	191 Å²	191	111.3 Å²	111.3	100%	1.24	60%	0.603	S	S	*	*			trans	-61.5	0	150.7	26.6	-27.7	0	0	0	110.4	Q1427	Q1427-P1429 VanDerWaalsContact O-CD 3.25Å; Q1427-P1429 WeakPolarHBondContact O-CD 3.45Å

Retrieved 1,429 of 1,429 residues in 550.1 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).