A0A093J736_STRCA Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinase that antagonizes the anaphase-promoting complex (APC/C) during G1/S transition by mediating deubiquitination of APC/C target proteins, thereby promoting S phase entry. Specifically mediates deubiquitination of 'Lys-11'-linked polyubiquitin chains, a specific ubiquitin-linkage type mediated by the APC/C complex.

AlphaFold DB , UniProt , Accession A0A093J736, Species STRCA (Struthio camelus australis), Gene n/a, Length 988 aa.

						>A0A093J736_STRCA|A0A093J736
MAPLKVHGPVRMRSMQTGITKWKEGSFEIVEKDNKVSLVVHYNVGGIPKTFQLSHNIKTVTLRPNGRKLCCLMLTLKDTSFLTIDKVPFKDANEMRMYLDAVHQDRVHTAGKPSQGSGSFGGVLGSRTTQKEANRQFSYIENQTPPKRATVESKDENPFRKVLGTPARTSVKNSPGTGTPSNRVNISASPASSVPHRAGLLENREKRKRTQPPGSEMSEDYPKENDSSTNNKALSDPAWKYLNSSREKQLNLKQAEENRTSGVLPLQSSSFYGSRSSSKEYSTGSSTLDRSNVSSQTPSAKRSLGFLSQPAPLSVKKMRSNQDYTGWNKPRVPLSTHPQQQLQGFSNLGNTCYMNAILQSLFSIQSFANDLLKQGIPWKKIPLNALIRRFAHLLAKKDVCSPEVKKELLKKVKSAISATAERFSGYMQNDAHEFLSQCLDQLKEDMEKLNKTWKSEPVPSEDNSPGRASDDLSATKVYTCPVISNLEFEVQHSIICKMCGETVTKREQFNDLSIDLPRRKKLLPSRSIQDSLDLFFRAEEIEYSCEKCNGKSAVVTHKFNRLPRVLILHLKRYSFNVALSLNHKVGQQVVIPRYLTLLSHCTESTRLPLTLGWSAHSAISRPLKASQMVNSCTVSTSTPCRKYTFKSKSSTALYVDSDSDDEPLKRSVAHSQRLCSIQSRDQQQLQEEPEKGSKRSKMECDKPELGNAGFDGMSEDELLAAVLEISKREASLSLSHDEDKPTSSPDTGFGEDEIQELPENLESVEVEKPKAALESGLASFTEITKDFDENKENKTPEGSQGEVDWLQQYDMEREREEQELQQALAQSLQEQEAREQKEDDDLKRATELSLQEFNSSLLEGVGSDEDSGNEDVLDMEYSEAEAEELKRNAETGELPHSYRLISIVSHIGSTSSSGHYISDVYDIKKQSWFTYNDLEVSRTLEATVQCDRDRSGYIFFYMHKDIFDELLETEKNAQPLSMEVGRSIRQPL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	78.1	Confident	212 Å²	212	66.1 Å²	66.1	100%	1.044	35%	0.352	S	S	*	.				0	-175.4	0	-70.3	175.2	171.9	0	0	108.4
2	A	43.3	Very low	79	Confident	87 Å²	87	60.9 Å²	60.9	72%	0.719	32%	0.324	S	S	*	.			trans	-67.8	149	161.9	0	0	0	0	0	109.5	L4	A2-L4 PolarHBondContact O-N 3.19Å
3	P	61.4	Low	79.2	Confident	84 Å²	84	66.5 Å²	66.5	55%	0.545	34%	0.338	S	S	.	.			trans	-64.6	125.6	175.5	27	-33.4	0	0	0	109.6	K5 E28	P3-K5 PolarHBondContact O-N 3.02Å; P3-E28 HydrophobicContact CB-CG 4.33Å
4	L	81.9	Confident	79.2	Confident	35 Å²	35	63.3 Å²	63.3	18%	0.183	33%	0.325	C	S	.	.			trans	-85.4	110.2	-175.8	-146.1	159.9	0	0	0	108	A2 I29 E94 M95 Y98	A2-L4 PolarHBondContact O-N 3.19Å; L4-I29 HydrophobicContact CB-CB 4.48Å; L4-I29 PolarHBondContact O-N 3.28Å; L4-E94 HydrophobicContact CD1-CG 4.34Å; L4-M95 HydrophobicContact CD2-CB 4.03Å; L4-M95 HydrophobicContact CD2-SD 3.74Å; L4-Y98 HydrophobicContact CD1-CD2 4.44Å
5	K	88.5	Confident	78.4	Confident	82 Å²	82	70.1 Å²	70.1	36%	0.357	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.3	-169.2	-170.4	169.5	-168	154.7	0	112	P3 S26 F27 E28	P3-K5 PolarHBondContact O-N 3.02Å; K5-S26 WeakPolarHBondContact CE-OG 3.29Å; K5-F27 CarbonylContact C-O 3.48Å; K5-F27 VanDerWaalsContact CA-O 3.3Å; K5-F27 WeakPolarHBondContact CA-O 3.46Å; K5-E28 HydrophobicContact CB-CB 4.37Å; K5-E28 HydrophobicContact CB-CG 4.28Å; K5-E28 HydrophobicContact CD-CB 4.13Å; K5-E28 HydrophobicContact CD-CG 4.17Å; K5-E28 WeakPolarHBondContact CD-OE2 3.41Å; K5-E28 VanDerWaalsContact CE-OE2 3.29Å; K5-E28 WeakPolarHBondContact CE-OE2 3.38Å; K5-E28 HydrophobicContact CG-CB 4Å; K5-E28 HydrophobicContact CG-CG 4.29Å; K5-E28 IonicContact NZ-OE2 3.53Å; K5-E28 PolarHBondContact NZ-OE2 3.1Å
6	V	90.6	Very high	77.3	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.9	179.2	-62.7	0	0	0	0	111.1	S26 F27 I84 V87 D91 M95	V6-S26 CarbonylContact O-C 3.57Å; V6-S26 WeakPolarHBondContact O-CA 3.21Å; V6-S26 WeakPolarHBondContact O-CB 3.2Å; V6-F27 HydrophobicContact CG2-CB 3.82Å; V6-F27 PolarHBondContact N-O 2.89Å; V6-F27 PolarHBondContact O-N 2.59Å; V6-I84 HydrophobicContact CG2-CD1 4.34Å; V6-V87 HydrophobicContact CB-CG1 3.84Å; V6-V87 HydrophobicContact CG1-CG1 4.14Å; V6-V87 HydrophobicContact CG2-CG1 4.46Å; V6-D91 HydrophobicContact CG1-CB 3.91Å; V6-M95 HydrophobicContact CG1-CB 4.24Å; V6-M95 HydrophobicContact CG2-CG 4.22Å; V6-M95 HydrophobicContact CG2-SD 4.28Å
7	H	89.9	Confident	76.5	Confident	106 Å²	106	75.9 Å²	75.9	49%	0.491	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149.1	-172.2	-70.7	-104.8	0	0	0	111.9	G25	H7-G25 WeakPolarHBondContact CA-O 3.24Å
8	G	89.3	Confident	76.3	Confident	4 Å²	4	73.9 Å²	73.9	4%	0.041	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157	-177.6	175.8	0	0	0	0	0	113.5	V10 E24 G25	G8-V10 PolarHBondContact O-N 2.65Å; G8-E24 VanDerWaalsContact CA-OE1 3.25Å; G8-E24 WeakPolarHBondContact CA-OE1 3.27Å; G8-G25 PolarHBondContact N-O 3.11Å; G8-G25 PolarHBondContact O-N 3.38Å
9	P	89.9	Confident	76.6	Confident	15 Å²	15	74.6 Å²	74.6	10%	0.097	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	117.4	171.2	-23.3	31.6	0	0	0	112.1	W22 E24 I84 D85 K86	P9-W22 HydrophobicContact CB-CE3 3.88Å; P9-W22 HydrophobicContact CB-CZ3 4.47Å; P9-W22 WeakPolarHBondContact O-CZ3 3.35Å; P9-E24 WeakPolarHBondContact CD-OE2 3.38Å; P9-E24 WeakPolarHBondContact CG-OE2 3.33Å; P9-I84 WeakPolarHBondContact O-CA 3.43Å; P9-D85 WeakPolarHBondContact CD-O 3.39Å; P9-D85 PolarHBondContact O-N 2.71Å; P9-K86 HydrophobicContact CG-CD 4.03Å; P9-K86 HydrophobicContact CG-CG 4.4Å
10	V	91	Very high	76.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.5	176.1	174.9	0	0	0	0	110.9	G8 M12 W22 K23 F27 V40 Y42 T83 I84	G8-V10 PolarHBondContact O-N 2.65Å; V10-M12 HydrophobicContact CG1-CG 4.15Å; V10-M12 HydrophobicContact CG1-SD 4.27Å; V10-W22 WeakPolarHBondContact O-CA 3.36Å; V10-K23 PolarHBondContact N-O 2.82Å; V10-K23 PolarHBondContact O-N 2.88Å; V10-F27 HydrophobicContact CB-CE1 4.49Å; V10-F27 HydrophobicContact CG1-CE1 3.77Å; V10-F27 HydrophobicContact CG1-CZ 4.47Å; V10-F27 HydrophobicContact CG2-CD1 4.11Å; V10-F27 HydrophobicContact CG2-CE1 3.88Å; V10-V40 HydrophobicContact CG1-CG1 3.84Å; V10-Y42 HydrophobicContact CB-CE1 4.45Å; V10-Y42 HydrophobicContact CG1-CE1 4.19Å; V10-T83 CarbonylContact C-O 3.6Å; V10-T83 WeakPolarHBondContact CA-O 3.43Å; V10-I84 HydrophobicContact CG2-CB 4.24Å; V10-I84 HydrophobicContact CG2-CD1 3.88Å; V10-I84 HydrophobicContact CG2-CG1 3.87Å
11	R	89.8	Confident	77.3	Confident	97 Å²	97	77.7 Å²	77.7	37%	0.366	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.3	168.2	-173.2	175.3	-167.4	-163.7	5.9	110.6	I19 T20 W22 T83	R11-I19 VanDerWaalsContact NH2-CG2 3.35Å; R11-T20 WeakPolarHBondContact CG-O 3.34Å; R11-T20 PolarHBondContact NE-O 2.98Å; R11-W22 HydrophobicContact CB-CD2 3.75Å; R11-W22 HydrophobicContact CB-CE3 3.47Å; R11-W22 VanDerWaalsContact CB-CE3 3.47Å; R11-W22 HydrophobicContact CB-CG 4.47Å; R11-W22 HydrophobicContact CB-CH2 4.02Å; R11-W22 HydrophobicContact CB-CZ2 4.28Å; R11-W22 HydrophobicContact CB-CZ3 3.6Å; R11-W22 HydrophobicContact CG-CD2 4.41Å; R11-T83 PolarHBondContact N-O 3.08Å; R11-T83 PolarHBondContact O-N 3.04Å; R11-T83 VanDerWaalsContact O-O 3.07Å
12	M	88.9	Confident	79.3	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.02	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.9	-177.1	-64.4	168.2	44.4	0	0	111.2	V10 T20 V40 Y42 K49 F51 F81 L82	V10-M12 HydrophobicContact CG1-CG 4.15Å; V10-M12 HydrophobicContact CG1-SD 4.27Å; M12-T20 HydrophobicContact CB-CG2 4.06Å; M12-T20 PolarHBondContact N-OG1 3.01Å; M12-T20 PolarHBondContact O-N 3.21Å; M12-V40 HydrophobicContact SD-CG1 4.03Å; M12-V40 HydrophobicContact SD-CG2 4.45Å; M12-Y42 PolarHBondContact SD-OH 3.36Å; M12-K49 HydrophobicContact CE-CD 3.91Å; M12-F51 HydrophobicContact CE-CE2 3.53Å; M12-F51 HydrophobicContact CE-CZ 3.32Å; M12-F51 HydrophobicContact SD-CE2 4.46Å; M12-F81 CarbonylContact C-O 3.51Å; M12-F81 WeakPolarHBondContact CA-O 3.43Å; M12-L82 HydrophobicContact CB-CD2 4.18Å; M12-L82 HydrophobicContact CE-CD2 3.73Å; M12-L82 HydrophobicContact CG-CD2 3.63Å; M12-L82 HydrophobicContact SD-CD2 4.05Å
13	R	81.6	Confident	81.3	Confident	133 Å²	133	75.4 Å²	75.4	50%	0.502	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127	168.6	177	-170.1	-61.4	-146.5	1.9	108.1	G18 I19 S80 F81	R13-G18 WeakPolarHBondContact CA-O 3.47Å; R13-I19 HydrophobicContact CB-CG1 4.28Å; R13-I19 HydrophobicContact CG-CG1 3.9Å; R13-S80 CarbonylContact O-C 3.52Å; R13-S80 WeakPolarHBondContact O-CA 3.35Å; R13-F81 HydrophobicContact CB-CB 4.31Å; R13-F81 PolarHBondContact N-O 3.37Å; R13-F81 PolarHBondContact O-N 2.94Å
14	S	79	Confident	82.7	Confident	22 Å²	22	76 Å²	76	15%	0.154	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.3	171.4	-173	0	0	0	0	109.4	Q16 T17 G18 S80	S14-Q16 PolarHBondContact O-N 3.39Å; S14-T17 PolarHBondContact O-N 3.34Å; S14-G18 PolarHBondContact N-O 3.48Å; S14-G18 VanDerWaalsContact N-O 3.16Å; S14-G18 PolarHBondContact O-N 2.96Å; S14-S80 WeakPolarHBondContact CB-OG 3.33Å; S14-S80 PolarHBondContact OG-OG 3.03Å
15	M	67.9	Low	83.1	Confident	166 Å²	166	74.3 Å²	74.3	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-40	-177.2	-67.8	-61.6	-69.1	0	0	112.3	T17	M15-T17 VanDerWaalsContact C-N 3.33Å; M15-T17 PolarHBondContact O-N 2.87Å
16	Q	59.9	Low	83.2	Confident	186 Å²	186	70.5 Å²	70.5	87%	0.869	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.7	-179.4	-65.8	175.9	-14.8	0	0	114.6	S14	S14-Q16 PolarHBondContact O-N 3.39Å
17	T	63.3	Low	83.3	Confident	53 Å²	53	70.3 Å²	70.3	33%	0.325	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	0.8	-169	68	0	0	0	0	114.3	S14 M15	S14-T17 PolarHBondContact O-N 3.34Å; M15-T17 VanDerWaalsContact C-N 3.33Å; M15-T17 PolarHBondContact O-N 2.87Å
18	G	72.8	Confident	83.4	Confident	40 Å²	40	67 Å²	67	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.2	-149.3	-167.3	0	0	0	0	0	112.2	R13 S14	R13-G18 WeakPolarHBondContact CA-O 3.47Å; S14-G18 PolarHBondContact N-O 3.48Å; S14-G18 VanDerWaalsContact N-O 3.16Å; S14-G18 PolarHBondContact O-N 2.96Å
19	I	81.8	Confident	83.4	Confident	86 Å²	86	67.1 Å²	67.1	44%	0.441	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.4	174.7	-52.4	167.1	0	0	0	108.8	R11 R13	R11-I19 VanDerWaalsContact NH2-CG2 3.35Å; R13-I19 HydrophobicContact CB-CG1 4.28Å; R13-I19 HydrophobicContact CG-CG1 3.9Å
20	T	83.2	Confident	83.2	Confident	34 Å²	34	69.2 Å²	69.2	21%	0.209	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.4	154.9	177.6	76.2	0	0	0	0	111.7	R11 M12	R11-T20 WeakPolarHBondContact CG-O 3.34Å; R11-T20 PolarHBondContact NE-O 2.98Å; M12-T20 HydrophobicContact CB-CG2 4.06Å; M12-T20 PolarHBondContact N-OG1 3.01Å; M12-T20 PolarHBondContact O-N 3.21Å
21	K	84.6	Confident	82.8	Confident	181 Å²	181	73.4 Å²	73.4	79%	0.787	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-64.6	158	155.8	-64.4	-177.4	179.5	179.8	0	109.1
22	W	86.4	Confident	82.1	Confident	119 Å²	119	75.8 Å²	75.8	45%	0.451	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.2	136.8	169.8	-67.1	102.8	0	0	0	109.8	P9 V10 R11 T83 D85	P9-W22 HydrophobicContact CB-CE3 3.88Å; P9-W22 HydrophobicContact CB-CZ3 4.47Å; P9-W22 WeakPolarHBondContact O-CZ3 3.35Å; V10-W22 WeakPolarHBondContact O-CA 3.36Å; R11-W22 HydrophobicContact CB-CD2 3.75Å; R11-W22 HydrophobicContact CB-CE3 3.47Å; R11-W22 VanDerWaalsContact CB-CE3 3.47Å; R11-W22 HydrophobicContact CB-CG 4.47Å; R11-W22 HydrophobicContact CB-CH2 4.02Å; R11-W22 HydrophobicContact CB-CZ2 4.28Å; R11-W22 HydrophobicContact CB-CZ3 3.6Å; R11-W22 HydrophobicContact CG-CD2 4.41Å; W22-T83 HydrophobicContact CH2-CG2 3.84Å; W22-T83 HydrophobicContact CZ3-CG2 4.21Å; W22-D85 HydrophobicContact CH2-CB 3.92Å; W22-D85 HydrophobicContact CZ3-CB 3.81Å
23	K	86.3	Confident	81.1	Confident	131 Å²	131	81.8 Å²	81.8	57%	0.57	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.7	174	-70.6	-168.9	174	-168.3	0	109.9	V10 Y42	V10-K23 PolarHBondContact N-O 2.82Å; V10-K23 PolarHBondContact O-N 2.88Å; K23-Y42 HydrophobicContact CB-CD1 3.97Å; K23-Y42 HydrophobicContact CB-CE1 4.4Å; K23-Y42 HydrophobicContact CD-CD1 4.37Å
24	E	90.2	Very high	80.3	Confident	96 Å²	96	80.9 Å²	80.9	45%	0.449	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.4	176.8	-155.7	63	-156.4	0	0	111	G8 P9 N43	G8-E24 VanDerWaalsContact CA-OE1 3.25Å; G8-E24 WeakPolarHBondContact CA-OE1 3.27Å; P9-E24 WeakPolarHBondContact CD-OE2 3.38Å; P9-E24 WeakPolarHBondContact CG-OE2 3.33Å; E24-N43 WeakPolarHBondContact CG-ND2 3.45Å; E24-N43 PolarHBondContact O-N 2.9Å
25	G	90	Very high	80.1	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-162.4	-173.7	0	0	0	0	0	114.2	H7 G8 H41	H7-G25 WeakPolarHBondContact CA-O 3.24Å; G8-G25 PolarHBondContact N-O 3.11Å; G8-G25 PolarHBondContact O-N 3.38Å; G25-H41 CarbonylContact C-O 3.6Å; G25-H41 WeakPolarHBondContact CA-O 3.29Å
26	S	90.6	Very high	81	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.014	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.1	173.6	52.6	0	0	0	0	112.5	K5 V6 V40 H41	K5-S26 WeakPolarHBondContact CE-OG 3.29Å; V6-S26 CarbonylContact O-C 3.57Å; V6-S26 WeakPolarHBondContact O-CA 3.21Å; V6-S26 WeakPolarHBondContact O-CB 3.2Å; S26-V40 WeakPolarHBondContact O-CA 3.41Å; S26-H41 PolarHBondContact N-O 2.83Å; S26-H41 PolarHBondContact O-N 3.48Å
27	F	92.6	Very high	82.3	Confident	1 Å²	1	70 Å²	70	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123	167.7	-82	11.7	0	0	0	107.8	K5 V6 V10 L38 V40 L82 I84 M95	K5-F27 CarbonylContact C-O 3.48Å; K5-F27 VanDerWaalsContact CA-O 3.3Å; K5-F27 WeakPolarHBondContact CA-O 3.46Å; V6-F27 HydrophobicContact CG2-CB 3.82Å; V6-F27 PolarHBondContact N-O 2.89Å; V6-F27 PolarHBondContact O-N 2.59Å; V10-F27 HydrophobicContact CB-CE1 4.49Å; V10-F27 HydrophobicContact CG1-CE1 3.77Å; V10-F27 HydrophobicContact CG1-CZ 4.47Å; V10-F27 HydrophobicContact CG2-CD1 4.11Å; V10-F27 HydrophobicContact CG2-CE1 3.88Å; F27-L38 HydrophobicContact CB-CD1 3.86Å; F27-L38 HydrophobicContact CD2-CD1 4.33Å; F27-L38 HydrophobicContact CD2-CD2 4.17Å; F27-L38 HydrophobicContact CE2-CD2 4.33Å; F27-L38 HydrophobicContact CG-CD1 4.12Å; F27-L38 HydrophobicContact CG-CD2 4.42Å; F27-V40 HydrophobicContact CD1-CB 4.46Å; F27-V40 HydrophobicContact CD1-CG1 4.2Å; F27-V40 HydrophobicContact CD1-CG2 3.84Å; F27-V40 HydrophobicContact CE1-CG1 4.05Å; F27-V40 HydrophobicContact CE1-CG2 3.75Å; F27-L82 HydrophobicContact CE2-CB 4.49Å; F27-L82 HydrophobicContact CZ-CB 3.97Å; F27-I84 HydrophobicContact CB-CD1 4.44Å; F27-I84 HydrophobicContact CD1-CB 4.47Å; F27-I84 HydrophobicContact CD1-CD1 4.29Å; F27-I84 HydrophobicContact CD2-CB 4.17Å; F27-I84 HydrophobicContact CD2-CG2 3.59Å; F27-I84 HydrophobicContact CE1-CB 4.24Å; F27-I84 HydrophobicContact CE2-CB 3.91Å; F27-I84 HydrophobicContact CE2-CG2 3.55Å; F27-I84 HydrophobicContact CG-CB 4.45Å; F27-I84 HydrophobicContact CG-CD1 4.23Å; F27-I84 HydrophobicContact CG-CG2 4.2Å; F27-I84 HydrophobicContact CZ-CB 3.94Å; F27-I84 HydrophobicContact CZ-CG2 4.12Å; F27-M95 HydrophobicContact CB-CE 3.91Å; F27-M95 HydrophobicContact CD2-CE 4.37Å
28	E	91.3	Very high	83.6	Confident	36 Å²	36	67.5 Å²	67.5	17%	0.168	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129	177.5	-177.6	166.7	-177.1	0	0	110.3	P3 K5 V30 V39 H41	P3-E28 HydrophobicContact CB-CG 4.33Å; K5-E28 HydrophobicContact CB-CB 4.37Å; K5-E28 HydrophobicContact CB-CG 4.28Å; K5-E28 HydrophobicContact CD-CB 4.13Å; K5-E28 HydrophobicContact CD-CG 4.17Å; K5-E28 WeakPolarHBondContact CD-OE2 3.41Å; K5-E28 VanDerWaalsContact CE-OE2 3.29Å; K5-E28 WeakPolarHBondContact CE-OE2 3.38Å; K5-E28 HydrophobicContact CG-CB 4Å; K5-E28 HydrophobicContact CG-CG 4.29Å; K5-E28 IonicContact NZ-OE2 3.53Å; K5-E28 PolarHBondContact NZ-OE2 3.1Å; E28-V30 HydrophobicContact CG-CG2 4.34Å; E28-V39 PolarHBondContact N-O 3.33Å; E28-V39 PolarHBondContact O-N 3.35Å; E28-H41 IonicContact OE2-CD2 3.8Å; E28-H41 IonicContact OE2-NE2 2.74Å
29	I	89.6	Confident	84.4	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.6	174.4	-56.7	-170.7	0	0	0	109.9	L4 V36 L38 M95 Y98 L99	L4-I29 HydrophobicContact CB-CB 4.48Å; L4-I29 PolarHBondContact O-N 3.28Å; I29-V36 HydrophobicContact CG2-CG1 3.78Å; I29-L38 HydrophobicContact CG1-CD1 4.35Å; I29-M95 HydrophobicContact CD1-CE 3.76Å; I29-M95 HydrophobicContact CD1-SD 3.67Å; I29-M95 HydrophobicContact CG1-CE 3.55Å; I29-M95 HydrophobicContact CG1-SD 3.84Å; I29-Y98 HydrophobicContact CD1-CD1 3.34Å; I29-Y98 HydrophobicContact CD1-CE1 3.77Å; I29-Y98 HydrophobicContact CD1-CG 4.02Å; I29-Y98 HydrophobicContact CG2-CD1 4.3Å; I29-Y98 HydrophobicContact CG2-CE1 3.64Å; I29-L99 HydrophobicContact CD1-CD2 4.15Å; I29-L99 HydrophobicContact CD1-CG 4.48Å
30	V	86.3	Confident	84.7	Confident	59 Å²	59	62.2 Å²	62.2	36%	0.358	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.4	175	-178.3	0	0	0	0	108.8	E28 S37 V39	E28-V30 HydrophobicContact CG-CG2 4.34Å; V30-S37 PolarHBondContact N-O 3.03Å; V30-S37 PolarHBondContact O-N 2.9Å; V30-V39 HydrophobicContact CB-CG2 4.25Å; V30-V39 HydrophobicContact CG2-CG2 3.68Å
31	E	82.5	Confident	84.9	Confident	89 Å²	89	63.5 Å²	63.5	42%	0.416	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119	176.4	-175.5	176.6	-179.9	0	0	108.6	V36 Y98	E31-V36 HydrophobicContact CG-CG2 4.29Å; E31-Y98 PolarHBondContact OE2-OH 3.33Å
32	K	74.6	Confident	85	Confident	147 Å²	147	56.5 Å²	56.5	64%	0.639	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	133.7	-178.9	-162.7	-164	172	-169.2	0	109.7	N34 K35	K32-N34 VanDerWaalsContact C-N 3.33Å; K32-N34 PolarHBondContact O-N 3.32Å; K32-K35 PolarHBondContact N-O 3.14Å; K32-K35 WeakPolarHBondContact O-CA 3.44Å; K32-K35 WeakPolarHBondContact O-CB 3.24Å; K32-K35 PolarHBondContact O-N 3.12Å; K32-K35 VanDerWaalsContact O-O 3.11Å
33	D	68.6	Low	84.4	Confident	130 Å²	130	55.6 Å²	55.6	70%	0.695	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	45.3	173.7	-46.8	-36.9	0	0	0	113.6	K35	D33-K35 PolarHBondContact O-N 3.05Å; D33-K35 VanDerWaalsContact O-N 3.13Å
34	N	64.8	Low	83.4	Confident	113 Å²	113	55.7 Å²	55.7	60%	0.604	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	14.3	-171.4	-74.8	10.5	0	0	0	115.9	K32	K32-N34 VanDerWaalsContact C-N 3.33Å; K32-N34 PolarHBondContact O-N 3.32Å
35	K	75.8	Confident	81.8	Confident	117 Å²	117	55.1 Å²	55.1	51%	0.509	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.7	172.4	-63.2	179.4	-175.7	177.6	0	110	K32 D33	K32-K35 PolarHBondContact N-O 3.14Å; K32-K35 WeakPolarHBondContact O-CA 3.44Å; K32-K35 WeakPolarHBondContact O-CB 3.24Å; K32-K35 PolarHBondContact O-N 3.12Å; K32-K35 VanDerWaalsContact O-O 3.11Å; D33-K35 PolarHBondContact O-N 3.05Å; D33-K35 VanDerWaalsContact O-N 3.13Å
36	V	85.3	Confident	80.5	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.5	173.6	-176.3	0	0	0	0	108.3	I29 E31 L53 S54 Y98 V102	I29-V36 HydrophobicContact CG2-CG1 3.78Å; E31-V36 HydrophobicContact CG-CG2 4.29Å; V36-L53 HydrophobicContact CG1-CB 4.32Å; V36-L53 HydrophobicContact CG1-CD1 4Å; V36-L53 WeakPolarHBondContact O-CB 3.24Å; V36-L53 PolarHBondContact O-N 2.84Å; V36-S54 PolarHBondContact N-OG 3.17Å; V36-S54 PolarHBondContact O-N 2.79Å; V36-Y98 HydrophobicContact CG1-CE1 3.86Å; V36-V102 HydrophobicContact CB-CG1 4.36Å; V36-V102 HydrophobicContact CB-CG2 4.43Å; V36-V102 HydrophobicContact CG1-CG1 4.43Å; V36-V102 HydrophobicContact CG1-CG2 4Å; V36-V102 HydrophobicContact CG2-CG2 4.3Å
37	S	88.4	Confident	79.7	Confident	24 Å²	24	63.7 Å²	63.7	17%	0.168	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.1	178.5	-57.8	0	0	0	0	111.6	V30 F51	V30-S37 PolarHBondContact N-O 3.03Å; V30-S37 PolarHBondContact O-N 2.9Å; S37-F51 CarbonylContact C-O 3.59Å; S37-F51 WeakPolarHBondContact CA-O 3.07Å
38	L	89.4	Confident	79.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.5	172.8	-179.8	64.5	0	0	0	109.3	F27 I29 V40 T50 F51 L53 L74 L82 M95	F27-L38 HydrophobicContact CB-CD1 3.86Å; F27-L38 HydrophobicContact CD2-CD1 4.33Å; F27-L38 HydrophobicContact CD2-CD2 4.17Å; F27-L38 HydrophobicContact CE2-CD2 4.33Å; F27-L38 HydrophobicContact CG-CD1 4.12Å; F27-L38 HydrophobicContact CG-CD2 4.42Å; I29-L38 HydrophobicContact CG1-CD1 4.35Å; L38-V40 HydrophobicContact CG-CG2 4.5Å; L38-T50 CarbonylContact O-C 3.54Å; L38-T50 WeakPolarHBondContact O-CA 3.49Å; L38-F51 HydrophobicContact CB-CB 4.43Å; L38-F51 PolarHBondContact N-O 3.04Å; L38-F51 PolarHBondContact O-N 3.28Å; L38-L53 HydrophobicContact CB-CD1 3.89Å; L38-L53 HydrophobicContact CB-CD2 3.93Å; L38-L53 HydrophobicContact CB-CG 3.93Å; L38-L74 HydrophobicContact CD2-CD2 3.63Å; L38-L82 HydrophobicContact CD2-CD1 3.83Å; L38-M95 HydrophobicContact CD1-CE 3.52Å
39	V	89.3	Confident	78.9	Confident	16 Å²	16	68.6 Å²	68.6	10%	0.097	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.9	173.8	-168.9	0	0	0	0	109.1	E28 V30 H41 P48 T50	E28-V39 PolarHBondContact N-O 3.33Å; E28-V39 PolarHBondContact O-N 3.35Å; V30-V39 HydrophobicContact CB-CG2 4.25Å; V30-V39 HydrophobicContact CG2-CG2 3.68Å; V39-H41 VanDerWaalsContact CG1-NE2 3.3Å; V39-H41 WeakPolarHBondContact CG1-NE2 3.46Å; V39-P48 HydrophobicContact CG1-CB 3.83Å; V39-T50 HydrophobicContact CG2-CG2 4.24Å
40	V	89.1	Confident	78.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.5	176.4	-177.4	0	0	0	0	108.6	V10 M12 S26 F27 L38 Y42 P48 K49 F51	V10-V40 HydrophobicContact CG1-CG1 3.84Å; M12-V40 HydrophobicContact SD-CG1 4.03Å; M12-V40 HydrophobicContact SD-CG2 4.45Å; S26-V40 WeakPolarHBondContact O-CA 3.41Å; F27-V40 HydrophobicContact CD1-CB 4.46Å; F27-V40 HydrophobicContact CD1-CG1 4.2Å; F27-V40 HydrophobicContact CD1-CG2 3.84Å; F27-V40 HydrophobicContact CE1-CG1 4.05Å; F27-V40 HydrophobicContact CE1-CG2 3.75Å; L38-V40 HydrophobicContact CG-CG2 4.5Å; V40-Y42 HydrophobicContact CG1-CE1 4.17Å; V40-P48 CarbonylContact O-C 3.58Å; V40-P48 VanDerWaalsContact O-CA 3.26Å; V40-P48 WeakPolarHBondContact O-CA 3.45Å; V40-K49 HydrophobicContact CB-CB 4.44Å; V40-K49 PolarHBondContact N-O 2.82Å; V40-K49 PolarHBondContact O-N 3.03Å; V40-F51 HydrophobicContact CG2-CD2 4.12Å; V40-F51 HydrophobicContact CG2-CE2 4.14Å
41	H	87.4	Confident	78.7	Confident	60 Å²	60	71.1 Å²	71.1	28%	0.278	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	144	174.2	-61.2	-94.3	0	0	0	110.4	G25 S26 E28 V39	G25-H41 CarbonylContact C-O 3.6Å; G25-H41 WeakPolarHBondContact CA-O 3.29Å; S26-H41 PolarHBondContact N-O 2.83Å; S26-H41 PolarHBondContact O-N 3.48Å; E28-H41 IonicContact OE2-CD2 3.8Å; E28-H41 IonicContact OE2-NE2 2.74Å; V39-H41 VanDerWaalsContact CG1-NE2 3.3Å; V39-H41 WeakPolarHBondContact CG1-NE2 3.46Å
42	Y	86.6	Confident	78.8	Confident	35 Å²	35	71.5 Å²	71.5	14%	0.137	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.7	171.1	-56	-73.8	0	0	0	109.9	V10 M12 K23 V40 V44	V10-Y42 HydrophobicContact CB-CE1 4.45Å; V10-Y42 HydrophobicContact CG1-CE1 4.19Å; M12-Y42 PolarHBondContact SD-OH 3.36Å; K23-Y42 HydrophobicContact CB-CD1 3.97Å; K23-Y42 HydrophobicContact CB-CE1 4.4Å; K23-Y42 HydrophobicContact CD-CD1 4.37Å; V40-Y42 HydrophobicContact CG1-CE1 4.17Å; Y42-V44 PolarHBondContact O-N 3.47Å; Y42-V44 VanDerWaalsContact O-N 3.15Å
43	N	73.9	Confident	79.3	Confident	99 Å²	99	64.5 Å²	64.5	53%	0.529	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.8	-173.2	-65	-3.5	0	0	0	113.6	E24	E24-N43 WeakPolarHBondContact CG-ND2 3.45Å; E24-N43 PolarHBondContact O-N 2.9Å
44	V	64.4	Low	79.7	Confident	133 Å²	133	59.2 Å²	59.2	81%	0.806	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	72.4	-178.5	-168.9	0	0	0	0	110.1	Y42 G46	Y42-V44 PolarHBondContact O-N 3.47Å; Y42-V44 VanDerWaalsContact O-N 3.15Å; V44-G46 PolarHBondContact O-N 3.39Å
45	G	56.9	Low	80.1	Confident	85 Å²	85	59.3 Å²	59.3	88%	0.876	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	14.6	164.6	0	0	0	0	0	117.8
46	G	64	Low	80.4	Confident	31 Å²	31	55.8 Å²	55.8	32%	0.32	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.7	-175.2	0	0	0	0	0	113.1	V44	V44-G46 PolarHBondContact O-N 3.39Å
47	I	73.1	Confident	80.4	Confident	151 Å²	151	55.6 Å²	55.6	77%	0.774	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	125.3	169.7	-58.4	173.5	0	0	0	108.7
48	P	82.8	Confident	80.2	Confident	60 Å²	60	60 Å²	60	39%	0.39	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	140.6	-179.2	28.1	-34.3	0	0	0	110.7	V39 V40	V39-P48 HydrophobicContact CG1-CB 3.83Å; V40-P48 CarbonylContact O-C 3.58Å; V40-P48 VanDerWaalsContact O-CA 3.26Å; V40-P48 WeakPolarHBondContact O-CA 3.45Å
49	K	83.7	Confident	80	Confident	79 Å²	79	63.2 Å²	63.2	34%	0.343	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.9	-179.5	-67.8	-165.6	170.5	-161.5	0	111	M12 V40 F51	M12-K49 HydrophobicContact CE-CD 3.91Å; V40-K49 HydrophobicContact CB-CB 4.44Å; V40-K49 PolarHBondContact N-O 2.82Å; V40-K49 PolarHBondContact O-N 3.03Å; K49-F51 HydrophobicContact CB-CE2 3.74Å; K49-F51 HydrophobicContact CB-CZ 4.31Å
50	T	87.4	Confident	79.9	Confident	88 Å²	88	63.4 Å²	63.4	54%	0.54	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.2	-179	-55.9	0	0	0	0	111	L38 V39	L38-T50 CarbonylContact O-C 3.54Å; L38-T50 WeakPolarHBondContact O-CA 3.49Å; V39-T50 HydrophobicContact CG2-CG2 4.24Å
51	F	84.8	Confident	79.9	Confident	32 Å²	32	66.7 Å²	66.7	14%	0.14	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.1	176.9	-66.7	-87.6	0	0	0	109.8	M12 S37 L38 V40 K49 L53 L76 L82	M12-F51 HydrophobicContact CE-CE2 3.53Å; M12-F51 HydrophobicContact CE-CZ 3.32Å; M12-F51 HydrophobicContact SD-CE2 4.46Å; S37-F51 CarbonylContact C-O 3.59Å; S37-F51 WeakPolarHBondContact CA-O 3.07Å; L38-F51 HydrophobicContact CB-CB 4.43Å; L38-F51 PolarHBondContact N-O 3.04Å; L38-F51 PolarHBondContact O-N 3.28Å; V40-F51 HydrophobicContact CG2-CD2 4.12Å; V40-F51 HydrophobicContact CG2-CE2 4.14Å; K49-F51 HydrophobicContact CB-CE2 3.74Å; K49-F51 HydrophobicContact CB-CZ 4.31Å; F51-L53 PolarHBondContact O-N 3.15Å; F51-L76 HydrophobicContact CB-CD1 4.09Å; F51-L76 HydrophobicContact CD1-CD1 3.77Å; F51-L76 HydrophobicContact CG-CD1 4.22Å; F51-L82 HydrophobicContact CB-CD1 4.29Å; F51-L82 HydrophobicContact CD1-CD1 4.24Å; F51-L82 HydrophobicContact CD2-CD1 3.81Å; F51-L82 HydrophobicContact CD2-CD2 4.35Å; F51-L82 HydrophobicContact CE1-CD2 4.17Å; F51-L82 HydrophobicContact CE2-CD1 4.24Å; F51-L82 HydrophobicContact CE2-CD2 3.94Å; F51-L82 HydrophobicContact CG-CD1 3.82Å; F51-L82 HydrophobicContact CZ-CD2 3.88Å
52	Q	84.9	Confident	79.9	Confident	96 Å²	96	65.4 Å²	65.4	45%	0.449	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126.3	172.8	-175.5	176.8	-30.5	0	0	109.4	N56	Q52-N56 WeakPolarHBondContact O-CB 3.31Å; Q52-N56 PolarHBondContact O-ND2 2.84Å
53	L	83.9	Confident	79.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	40%	0.395	C	S	.	.			trans	-97.5	-33.9	-177.1	-64.5	-179.6	0	0	0	113.2	V36 L38 F51 H55 N56 I57 L74 L76 L99 V102	V36-L53 HydrophobicContact CG1-CB 4.32Å; V36-L53 HydrophobicContact CG1-CD1 4Å; V36-L53 WeakPolarHBondContact O-CB 3.24Å; V36-L53 PolarHBondContact O-N 2.84Å; L38-L53 HydrophobicContact CB-CD1 3.89Å; L38-L53 HydrophobicContact CB-CD2 3.93Å; L38-L53 HydrophobicContact CB-CG 3.93Å; F51-L53 PolarHBondContact O-N 3.15Å; L53-H55 PolarHBondContact O-N 3.21Å; L53-H55 VanDerWaalsContact O-N 3.11Å; L53-N56 PolarHBondContact O-N 3.17Å; L53-I57 HydrophobicContact CB-CD1 4.22Å; L53-I57 HydrophobicContact CB-CG1 4.23Å; L53-I57 HydrophobicContact CD2-CD1 4.27Å; L53-I57 HydrophobicContact CD2-CG1 4.04Å; L53-I57 PolarHBondContact O-N 2.98Å; L53-L74 HydrophobicContact CD2-CD2 3.87Å; L53-L76 HydrophobicContact CD2-CD2 4.11Å; L53-L99 HydrophobicContact CD1-CD2 3.41Å; L53-L99 VanDerWaalsContact CD1-CD2 3.41Å; L53-L99 HydrophobicContact CD2-CD2 4.44Å; L53-V102 HydrophobicContact CB-CG1 4.02Å
54	S	77.3	Confident	80.1	Confident	20 Å²	20	71.2 Å²	71.2	14%	0.14	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	117.1	-178.9	-61.6	0	0	0	0	111.3	V36 N56	V36-S54 PolarHBondContact N-OG 3.17Å; V36-S54 PolarHBondContact O-N 2.79Å; S54-N56 PolarHBondContact O-N 2.68Å
55	H	73.9	Confident	80.2	Confident	115 Å²	115	68.6 Å²	68.6	53%	0.532	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	4.2	-173.1	-31	-72.9	0	0	0	117	L53 K77 D105	L53-H55 PolarHBondContact O-N 3.21Å; L53-H55 VanDerWaalsContact O-N 3.11Å; H55-K77 WeakPolarHBondContact O-CD 3.22Å; H55-K77 VanDerWaalsContact O-CE 3.22Å; H55-K77 WeakPolarHBondContact O-CE 2.91Å; H55-K77 PolarHBondContact O-NZ 2.98Å; H55-D105 IonicContact CE1-OD1 2.71Å; H55-D105 PolarHBondContact CE1-OD1 3.26Å; H55-D105 VanDerWaalsContact CE1-OD1 3.22Å; H55-D105 IonicContact CE1-OD2 2.79Å; H55-D105 PolarHBondContact CE1-OD2 2.72Å; H55-D105 IonicContact ND1-OD1 3.2Å; H55-D105 PolarHBondContact ND1-OD1 3.34Å; H55-D105 IonicContact ND1-OD2 3.71Å; H55-D105 PolarHBondContact ND1-OD2 3.07Å
56	N	82.5	Confident	80.5	Confident	42 Å²	42	67.5 Å²	67.5	23%	0.225	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-14.7	-175.5	-170	24.8	0	0	0	113.9	Q52 L53 S54 K58 L76 K77	Q52-N56 WeakPolarHBondContact O-CB 3.31Å; Q52-N56 PolarHBondContact O-ND2 2.84Å; L53-N56 PolarHBondContact O-N 3.17Å; S54-N56 PolarHBondContact O-N 2.68Å; N56-K58 PolarHBondContact O-N 3.25Å; N56-L76 CarbonylContact O-C 3.59Å; N56-L76 WeakPolarHBondContact O-CA 3.11Å; N56-K77 WeakPolarHBondContact O-CG 3.26Å; N56-K77 PolarHBondContact O-N 2.82Å; N56-K77 PolarHBondContact OD1-N 2.88Å
57	I	85	Confident	80.3	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.005	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.6	172.9	-59	178.6	0	0	0	109.7	L53 V60 L74 L76 K77 L99 V102 H103	L53-I57 HydrophobicContact CB-CD1 4.22Å; L53-I57 HydrophobicContact CB-CG1 4.23Å; L53-I57 HydrophobicContact CD2-CD1 4.27Å; L53-I57 HydrophobicContact CD2-CG1 4.04Å; L53-I57 PolarHBondContact O-N 2.98Å; I57-V60 HydrophobicContact CG2-CG2 3.78Å; I57-L74 HydrophobicContact CB-CD1 4.46Å; I57-L74 HydrophobicContact CD1-CD1 4.46Å; I57-L74 HydrophobicContact CG1-CD1 4.14Å; I57-L74 HydrophobicContact CG2-CD1 3.78Å; I57-L76 HydrophobicContact CG1-CD2 4.35Å; I57-K77 WeakPolarHBondContact O-CE 3.25Å; I57-L99 HydrophobicContact CD1-CB 4.2Å; I57-L99 HydrophobicContact CD1-CD2 4.03Å; I57-L99 WeakPolarHBondContact CD1-O 3.37Å; I57-V102 HydrophobicContact CD1-CB 4.13Å; I57-V102 HydrophobicContact CD1-CG1 3.96Å; I57-H103 HydrophobicContact CB-CB 4.02Å; I57-H103 HydrophobicContact CD1-CB 4.37Å; I57-H103 HydrophobicContact CG2-CB 3.88Å; I57-H103 PolarHBondContact O-CE1 2.91Å; I57-H103 PolarHBondContact O-ND1 3.15Å
58	K	84.3	Confident	80.3	Confident	118 Å²	118	79.5 Å²	79.5	51%	0.513	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-49.4	173.2	-174.7	177.9	-178.3	175.7	0	111.6	N56 T75 K77 H103	N56-K58 PolarHBondContact O-N 3.25Å; K58-T75 WeakPolarHBondContact CA-O 3.34Å; K58-T75 HydrophobicContact CB-CG2 4.39Å; K58-T75 WeakPolarHBondContact CB-O 3.29Å; K58-T75 HydrophobicContact CD-CG2 4.23Å; K58-T75 PolarHBondContact N-O 2.54Å; K58-K77 HydrophobicContact CB-CG 4Å; K58-H103 PolarHBondContact O-CE1 3.32Å
59	T	84.6	Confident	80.4	Confident	66 Å²	66	79.9 Å²	79.9	41%	0.405	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.2	171.5	56.3	0	0	0	0	111	T75	T59-T75 PolarHBondContact N-O 2.92Å; T59-T75 VanDerWaalsContact N-O 3.12Å; T59-T75 PolarHBondContact O-N 3.1Å; T59-T75 WeakPolarHBondContact OG1-CB 3.14Å; T59-T75 PolarHBondContact OG1-OG1 2.91Å; T59-T75 VanDerWaalsContact OG1-OG1 3.11Å
60	V	88.3	Confident	80.6	Confident	20 Å²	20	76.2 Å²	76.2	12%	0.121	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.7	165.5	-155.7	0	0	0	0	107.7	I57 L72 L74 R96 L99	I57-V60 HydrophobicContact CG2-CG2 3.78Å; V60-L72 HydrophobicContact CG1-CD1 3.92Å; V60-L74 HydrophobicContact CG2-CD1 4.18Å; V60-R96 HydrophobicContact CB-CG 4.18Å; V60-R96 HydrophobicContact CG1-CG 3.69Å; V60-L99 HydrophobicContact CG1-CB 4.12Å; V60-L99 HydrophobicContact CG1-CD1 3.94Å; V60-L99 HydrophobicContact CG2-CB 3.8Å
61	T	87.4	Confident	80.7	Confident	69 Å²	69	72.8 Å²	72.8	42%	0.423	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	127.7	-178.7	-60.2	0	0	0	0	110.2	M73	T61-M73 PolarHBondContact N-O 3.13Å; T61-M73 PolarHBondContact O-N 3.45Å
62	L	87.8	Confident	81	Confident	34 Å²	34	71.3 Å²	71.3	18%	0.178	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.3	177.5	-174.5	70.7	0	0	0	109.1	C70 L72 A92 N93	L62-C70 HydrophobicContact CD1-CB 3.58Å; L62-C70 HydrophobicContact CG-CB 4.2Å; L62-L72 HydrophobicContact CD1-CB 4.2Å; L62-L72 HydrophobicContact CD1-CD1 4.12Å; L62-A92 HydrophobicContact CD1-CB 3.59Å; L62-N93 HydrophobicContact CD2-CB 4.2Å
63	R	86.6	Confident	81.2	Confident	157 Å²	157	69.4 Å²	69.4	59%	0.592	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.5	176.9	-173.1	-178.4	-63.9	-173.1	-0.1	109.5	C70 C71	R63-C70 WeakPolarHBondContact O-CA 3.31Å; R63-C71 HydrophobicContact CB-CB 4.44Å; R63-C71 PolarHBondContact N-O 2.95Å; R63-C71 PolarHBondContact O-N 2.89Å
64	P	79.1	Confident	81.5	Confident	98 Å²	98	69.5 Å²	69.5	64%	0.636	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.1	173.4	27.8	-33.3	0	0	0	110.7
65	N	66.2	Low	81.9	Confident	79 Å²	79	69.4 Å²	69.4	42%	0.422	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	81	-179.1	-165.4	1.6	0	0	0	108.7	L69 D85	N65-L69 CarbonylContact C-O 3.48Å; N65-L69 PolarHBondContact N-O 2.92Å; N65-D85 PolarHBondContact ND2-OD1 3.34Å; N65-D85 PolarHBondContact ND2-OD2 3.46Å
66	G	64.1	Low	82.6	Confident	61 Å²	61	63.9 Å²	63.9	63%	0.629	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-176.8	-169	0	0	0	0	0	113.9	K68	G66-K68 VanDerWaalsContact C-N 3.3Å; G66-K68 PolarHBondContact O-N 2.7Å
67	R	59.8	Low	82.6	Confident	259 Å²	259	67.7 Å²	67.7	98%	0.977	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-6.1	-166.9	-70.9	-171.1	178.3	-172.4	0.9	116.5
68	K	72	Confident	82.3	Confident	175 Å²	175	71.3 Å²	71.3	76%	0.761	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.5	-12.8	-177.1	-70.2	-168.9	176.4	-176.5	0	115.9	G66 F89	G66-K68 VanDerWaalsContact C-N 3.3Å; G66-K68 PolarHBondContact O-N 2.7Å; K68-F89 PolarHBondContact O-N 3.34Å; K68-F89 VanDerWaalsContact O-N 3.08Å
69	L	85.2	Confident	81.8	Confident	69 Å²	69	69.1 Å²	69.1	36%	0.361	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	159.6	-176.1	-54.9	-178.9	0	0	0	110.8	N65 K86 V87	N65-L69 CarbonylContact C-O 3.48Å; N65-L69 PolarHBondContact N-O 2.92Å; L69-K86 HydrophobicContact CD1-CB 4.18Å; L69-V87 CarbonylContact C-O 3.59Å; L69-V87 WeakPolarHBondContact CA-O 3.14Å
70	C	86.9	Confident	81.7	Confident	1 Å²	1	66 Å²	66	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.6	-177.7	-70.1	0	0	0	0	112.1	L62 R63 K86 V87 F89 A92	L62-C70 HydrophobicContact CD1-CB 3.58Å; L62-C70 HydrophobicContact CG-CB 4.2Å; R63-C70 WeakPolarHBondContact O-CA 3.31Å; C70-K86 PolarHBondContact O-N 2.61Å; C70-V87 PolarHBondContact N-O 2.65Å; C70-V87 PolarHBondContact O-N 2.76Å; C70-F89 VanDerWaalsContact SG-CD2 3.54Å; C70-A92 HydrophobicContact CB-CB 4.05Å
71	C	89.7	Confident	81.7	Confident	16 Å²	16	69.1 Å²	69.1	11%	0.108	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.2	166.1	-177.4	0	0	0	0	108.7	R63 T83 I84 D85	R63-C71 HydrophobicContact CB-CB 4.44Å; R63-C71 PolarHBondContact N-O 2.95Å; R63-C71 PolarHBondContact O-N 2.89Å; C71-T83 WeakPolarHBondContact SG-CG2 3.45Å; C71-I84 CarbonylContact C-O 3.5Å; C71-I84 WeakPolarHBondContact CA-O 3.42Å; C71-D85 HydrophobicContact CB-CB 4.42Å; C71-D85 WeakPolarHBondContact CB-OD1 3.2Å
72	L	91.3	Very high	81.9	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.2	174.3	179.9	69.3	0	0	0	108.6	V60 L62 T83 I84 M95 R96 L99	V60-L72 HydrophobicContact CG1-CD1 3.92Å; L62-L72 HydrophobicContact CD1-CB 4.2Å; L62-L72 HydrophobicContact CD1-CD1 4.12Å; L72-T83 WeakPolarHBondContact O-CA 3.44Å; L72-I84 HydrophobicContact CB-CG2 3.92Å; L72-I84 HydrophobicContact CD2-CG2 4.46Å; L72-I84 PolarHBondContact N-O 2.98Å; L72-I84 PolarHBondContact O-N 2.74Å; L72-M95 HydrophobicContact CD2-CB 4.06Å; L72-M95 HydrophobicContact CD2-CG 3.48Å; L72-M95 VanDerWaalsContact CD2-CG 3.48Å; L72-R96 HydrophobicContact CD1-CB 4.08Å; L72-R96 HydrophobicContact CD1-CG 4.24Å; L72-L99 HydrophobicContact CD2-CD1 4.26Å
73	M	89.2	Confident	82	Confident	56 Å²	56	65.2 Å²	65.2	28%	0.276	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	177.9	-59.3	-178.8	70.5	0	0	109.3	T61 T83	T61-M73 PolarHBondContact N-O 3.13Å; T61-M73 PolarHBondContact O-N 3.45Å; M73-T83 HydrophobicContact CG-CG2 4.01Å
74	L	90.6	Very high	82.3	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.3	178.7	170.8	61.6	0	0	0	108.6	L38 L53 I57 V60 L76 L82 L99	L38-L74 HydrophobicContact CD2-CD2 3.63Å; L53-L74 HydrophobicContact CD2-CD2 3.87Å; I57-L74 HydrophobicContact CB-CD1 4.46Å; I57-L74 HydrophobicContact CD1-CD1 4.46Å; I57-L74 HydrophobicContact CG1-CD1 4.14Å; I57-L74 HydrophobicContact CG2-CD1 3.78Å; V60-L74 HydrophobicContact CG2-CD1 4.18Å; L74-L76 HydrophobicContact CD1-CD2 4.22Å; L74-L76 HydrophobicContact CD2-CD2 4.29Å; L74-L76 HydrophobicContact CG-CD2 4.14Å; L74-L82 HydrophobicContact CB-CB 4.35Å; L74-L82 HydrophobicContact CD2-CD1 4.18Å; L74-L82 PolarHBondContact N-O 2.83Å; L74-L82 PolarHBondContact O-N 2.9Å; L74-L99 HydrophobicContact CD2-CD1 4.42Å
75	T	86.4	Confident	82.8	Confident	18 Å²	18	54.2 Å²	54.2	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.6	173.6	-44.5	0	0	0	0	108.7	K58 T59 F81	K58-T75 WeakPolarHBondContact CA-O 3.34Å; K58-T75 HydrophobicContact CB-CG2 4.39Å; K58-T75 WeakPolarHBondContact CB-O 3.29Å; K58-T75 HydrophobicContact CD-CG2 4.23Å; K58-T75 PolarHBondContact N-O 2.54Å; T59-T75 PolarHBondContact N-O 2.92Å; T59-T75 VanDerWaalsContact N-O 3.12Å; T59-T75 PolarHBondContact O-N 3.1Å; T59-T75 WeakPolarHBondContact OG1-CB 3.14Å; T59-T75 PolarHBondContact OG1-OG1 2.91Å; T59-T75 VanDerWaalsContact OG1-OG1 3.11Å; T75-F81 HydrophobicContact CG2-CD1 3.71Å; T75-F81 HydrophobicContact CG2-CE1 3.45Å; T75-F81 VanDerWaalsContact CG2-CE1 3.45Å; T75-F81 HydrophobicContact CG2-CG 4.38Å; T75-F81 HydrophobicContact CG2-CZ 3.9Å
76	L	88.1	Confident	83.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	166	175.9	-61.9	-178.7	0	0	0	110.9	F51 L53 N56 I57 L74 D78 T79 S80 L82	F51-L76 HydrophobicContact CB-CD1 4.09Å; F51-L76 HydrophobicContact CD1-CD1 3.77Å; F51-L76 HydrophobicContact CG-CD1 4.22Å; L53-L76 HydrophobicContact CD2-CD2 4.11Å; N56-L76 CarbonylContact O-C 3.59Å; N56-L76 WeakPolarHBondContact O-CA 3.11Å; I57-L76 HydrophobicContact CG1-CD2 4.35Å; L74-L76 HydrophobicContact CD1-CD2 4.22Å; L74-L76 HydrophobicContact CD2-CD2 4.29Å; L74-L76 HydrophobicContact CG-CD2 4.14Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 WeakPolarHBondContact CB-OD1 3.49Å; L76-T79 PolarHBondContact O-N 3.46Å; L76-S80 PolarHBondContact N-O 2.81Å; L76-L82 HydrophobicContact CD1-CD1 4.13Å
77	K	81.9	Confident	85	Confident	122 Å²	122	53.5 Å²	53.5	53%	0.53	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.2	-176.3	-72.8	177.9	-176.8	174.9	0	113.1	H55 N56 I57 K58 T79	H55-K77 WeakPolarHBondContact O-CD 3.22Å; H55-K77 VanDerWaalsContact O-CE 3.22Å; H55-K77 WeakPolarHBondContact O-CE 2.91Å; H55-K77 PolarHBondContact O-NZ 2.98Å; N56-K77 WeakPolarHBondContact O-CG 3.26Å; N56-K77 PolarHBondContact O-N 2.82Å; N56-K77 PolarHBondContact OD1-N 2.88Å; I57-K77 WeakPolarHBondContact O-CE 3.25Å; K58-K77 HydrophobicContact CB-CG 4Å; K77-T79 PolarHBondContact O-N 3.1Å
78	D	78.3	Confident	86.4	Confident	77 Å²	77	43.8 Å²	43.8	41%	0.412	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	5	172.6	73.5	-27.4	0	0	0	114.5	L76 S80	L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 WeakPolarHBondContact CB-OD1 3.49Å; D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 VanDerWaalsContact CG-OG 3.29Å; D78-S80 PolarHBondContact O-N 3.05Å; D78-S80 VanDerWaalsContact OD1-CB 3.22Å; D78-S80 WeakPolarHBondContact OD1-CB 3.28Å; D78-S80 PolarHBondContact OD1-N 3.41Å; D78-S80 PolarHBondContact OD1-OG 2.61Å; D78-S80 VanDerWaalsContact OD2-CB 3.27Å; D78-S80 WeakPolarHBondContact OD2-CB 3.45Å; D78-S80 PolarHBondContact OD2-OG 2.83Å
79	T	73.9	Confident	87	Confident	72 Å²	72	41 Å²	41	44%	0.442	21%	0.205	S	C	.	.	S	Bend	trans	70.1	7.7	-171.4	75.6	0	0	0	0	116.1	L76 K77 F81	L76-T79 PolarHBondContact O-N 3.46Å; K77-T79 PolarHBondContact O-N 3.1Å; T79-F81 WeakPolarHBondContact O-CD2 3.35Å; T79-F81 VanDerWaalsContact O-CE2 3.3Å; T79-F81 WeakPolarHBondContact O-CE2 3.36Å
80	S	84.1	Confident	87	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.007	22%	0.217	C	C	.	.			trans	-70.4	131.6	170.3	-65.8	0	0	0	0	111	R13 S14 L76 D78	R13-S80 CarbonylContact O-C 3.52Å; R13-S80 WeakPolarHBondContact O-CA 3.35Å; S14-S80 WeakPolarHBondContact CB-OG 3.33Å; S14-S80 PolarHBondContact OG-OG 3.03Å; L76-S80 PolarHBondContact N-O 2.81Å; D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 VanDerWaalsContact CG-OG 3.29Å; D78-S80 PolarHBondContact O-N 3.05Å; D78-S80 VanDerWaalsContact OD1-CB 3.22Å; D78-S80 WeakPolarHBondContact OD1-CB 3.28Å; D78-S80 PolarHBondContact OD1-N 3.41Å; D78-S80 PolarHBondContact OD1-OG 2.61Å; D78-S80 VanDerWaalsContact OD2-CB 3.27Å; D78-S80 WeakPolarHBondContact OD2-CB 3.45Å; D78-S80 PolarHBondContact OD2-OG 2.83Å
81	F	87.6	Confident	87	Confident	84 Å²	84	47.3 Å²	47.3	37%	0.368	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.9	172.6	-62	-99.3	0	0	0	109.3	M12 R13 T75 T79	M12-F81 CarbonylContact C-O 3.51Å; M12-F81 WeakPolarHBondContact CA-O 3.43Å; R13-F81 HydrophobicContact CB-CB 4.31Å; R13-F81 PolarHBondContact N-O 3.37Å; R13-F81 PolarHBondContact O-N 2.94Å; T75-F81 HydrophobicContact CG2-CD1 3.71Å; T75-F81 HydrophobicContact CG2-CE1 3.45Å; T75-F81 VanDerWaalsContact CG2-CE1 3.45Å; T75-F81 HydrophobicContact CG2-CG 4.38Å; T75-F81 HydrophobicContact CG2-CZ 3.9Å; T79-F81 WeakPolarHBondContact O-CD2 3.35Å; T79-F81 VanDerWaalsContact O-CE2 3.3Å; T79-F81 WeakPolarHBondContact O-CE2 3.36Å
82	L	90.7	Very high	86.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.7	175.7	-49.8	178.3	0	0	0	108.2	M12 F27 L38 F51 L74 L76	M12-L82 HydrophobicContact CB-CD2 4.18Å; M12-L82 HydrophobicContact CE-CD2 3.73Å; M12-L82 HydrophobicContact CG-CD2 3.63Å; M12-L82 HydrophobicContact SD-CD2 4.05Å; F27-L82 HydrophobicContact CE2-CB 4.49Å; F27-L82 HydrophobicContact CZ-CB 3.97Å; L38-L82 HydrophobicContact CD2-CD1 3.83Å; F51-L82 HydrophobicContact CB-CD1 4.29Å; F51-L82 HydrophobicContact CD1-CD1 4.24Å; F51-L82 HydrophobicContact CD2-CD1 3.81Å; F51-L82 HydrophobicContact CD2-CD2 4.35Å; F51-L82 HydrophobicContact CE1-CD2 4.17Å; F51-L82 HydrophobicContact CE2-CD1 4.24Å; F51-L82 HydrophobicContact CE2-CD2 3.94Å; F51-L82 HydrophobicContact CG-CD1 3.82Å; F51-L82 HydrophobicContact CZ-CD2 3.88Å; L74-L82 HydrophobicContact CB-CB 4.35Å; L74-L82 HydrophobicContact CD2-CD1 4.18Å; L74-L82 PolarHBondContact N-O 2.83Å; L74-L82 PolarHBondContact O-N 2.9Å; L76-L82 HydrophobicContact CD1-CD1 4.13Å
83	T	91.4	Very high	86.6	Confident	19 Å²	19	48.6 Å²	48.6	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	134.1	-177.9	-61.7	0	0	0	0	110.3	V10 R11 W22 C71 L72 M73	V10-T83 CarbonylContact C-O 3.6Å; V10-T83 WeakPolarHBondContact CA-O 3.43Å; R11-T83 PolarHBondContact N-O 3.08Å; R11-T83 PolarHBondContact O-N 3.04Å; R11-T83 VanDerWaalsContact O-O 3.07Å; W22-T83 HydrophobicContact CH2-CG2 3.84Å; W22-T83 HydrophobicContact CZ3-CG2 4.21Å; C71-T83 WeakPolarHBondContact SG-CG2 3.45Å; L72-T83 WeakPolarHBondContact O-CA 3.44Å; M73-T83 HydrophobicContact CG-CG2 4.01Å
84	I	91.9	Very high	86.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.9	170.6	-169.4	172.9	0	0	0	108.9	V6 P9 V10 F27 C71 L72 V87	V6-I84 HydrophobicContact CG2-CD1 4.34Å; P9-I84 WeakPolarHBondContact O-CA 3.43Å; V10-I84 HydrophobicContact CG2-CB 4.24Å; V10-I84 HydrophobicContact CG2-CD1 3.88Å; V10-I84 HydrophobicContact CG2-CG1 3.87Å; F27-I84 HydrophobicContact CB-CD1 4.44Å; F27-I84 HydrophobicContact CD1-CB 4.47Å; F27-I84 HydrophobicContact CD1-CD1 4.29Å; F27-I84 HydrophobicContact CD2-CB 4.17Å; F27-I84 HydrophobicContact CD2-CG2 3.59Å; F27-I84 HydrophobicContact CE1-CB 4.24Å; F27-I84 HydrophobicContact CE2-CB 3.91Å; F27-I84 HydrophobicContact CE2-CG2 3.55Å; F27-I84 HydrophobicContact CG-CB 4.45Å; F27-I84 HydrophobicContact CG-CD1 4.23Å; F27-I84 HydrophobicContact CG-CG2 4.2Å; F27-I84 HydrophobicContact CZ-CB 3.94Å; F27-I84 HydrophobicContact CZ-CG2 4.12Å; C71-I84 CarbonylContact C-O 3.5Å; C71-I84 WeakPolarHBondContact CA-O 3.42Å; L72-I84 HydrophobicContact CB-CG2 3.92Å; L72-I84 HydrophobicContact CD2-CG2 4.46Å; L72-I84 PolarHBondContact N-O 2.98Å; L72-I84 PolarHBondContact O-N 2.74Å; I84-V87 HydrophobicContact CB-CG2 4.33Å; I84-V87 HydrophobicContact CD1-CG2 4.07Å; I84-V87 HydrophobicContact CG1-CG2 3.79Å; I84-V87 HydrophobicContact CG2-CG2 3.87Å
85	D	89.4	Confident	86.5	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.128	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	169.6	-177.6	-169	23.4	0	0	0	111.5	P9 W22 N65 C71 V87	P9-D85 WeakPolarHBondContact CD-O 3.39Å; P9-D85 PolarHBondContact O-N 2.71Å; W22-D85 HydrophobicContact CH2-CB 3.92Å; W22-D85 HydrophobicContact CZ3-CB 3.81Å; N65-D85 PolarHBondContact ND2-OD1 3.34Å; N65-D85 PolarHBondContact ND2-OD2 3.46Å; C71-D85 HydrophobicContact CB-CB 4.42Å; C71-D85 WeakPolarHBondContact CB-OD1 3.2Å; D85-V87 PolarHBondContact O-N 3.05Å; D85-V87 VanDerWaalsContact O-N 3.1Å
86	K	88.1	Confident	86.5	Confident	125 Å²	125	52.2 Å²	52.2	54%	0.543	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.4	18.6	176.9	-53.1	-175.1	-175	175	0	115.5	P9 L69 C70	P9-K86 HydrophobicContact CG-CD 4.03Å; P9-K86 HydrophobicContact CG-CG 4.4Å; L69-K86 HydrophobicContact CD1-CB 4.18Å; C70-K86 PolarHBondContact O-N 2.61Å
87	V	88.9	Confident	86.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.4	176.8	-172	0	0	0	0	109.8	V6 L69 C70 I84 D85 A92	V6-V87 HydrophobicContact CB-CG1 3.84Å; V6-V87 HydrophobicContact CG1-CG1 4.14Å; V6-V87 HydrophobicContact CG2-CG1 4.46Å; L69-V87 CarbonylContact C-O 3.59Å; L69-V87 WeakPolarHBondContact CA-O 3.14Å; C70-V87 PolarHBondContact N-O 2.65Å; C70-V87 PolarHBondContact O-N 2.76Å; I84-V87 HydrophobicContact CB-CG2 4.33Å; I84-V87 HydrophobicContact CD1-CG2 4.07Å; I84-V87 HydrophobicContact CG1-CG2 3.79Å; I84-V87 HydrophobicContact CG2-CG2 3.87Å; D85-V87 PolarHBondContact O-N 3.05Å; D85-V87 VanDerWaalsContact O-N 3.1Å; V87-A92 HydrophobicContact CB-CB 4Å; V87-A92 HydrophobicContact CG1-CB 3.74Å
88	P	89.6	Confident	86.7	Confident	56 Å²	56	53.8 Å²	53.8	36%	0.364	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	140.1	174.4	-23.9	34.7	0	0	0	112.4	K90 D91 A92	P88-K90 VanDerWaalsContact C-N 3.26Å; P88-K90 PolarHBondContact O-N 2.62Å; P88-K90 VanDerWaalsContact O-N 3.15Å; P88-D91 WeakPolarHBondContact CB-OD2 3.17Å; P88-D91 WeakPolarHBondContact CG-OD2 3.49Å; P88-D91 PolarHBondContact O-N 2.86Å; P88-A92 WeakPolarHBondContact O-CB 3.35Å; P88-A92 PolarHBondContact O-N 3.33Å
89	F	84	Confident	87	Confident	116 Å²	116	50.1 Å²	50.1	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-51.9	-42.2	-175.7	175.7	-84.9	0	0	0	113.4	K68 C70 N93	K68-F89 PolarHBondContact O-N 3.34Å; K68-F89 VanDerWaalsContact O-N 3.08Å; C70-F89 VanDerWaalsContact SG-CD2 3.54Å; F89-N93 HydrophobicContact CE1-CB 4.32Å; F89-N93 WeakPolarHBondContact O-CB 3.44Å; F89-N93 PolarHBondContact O-N 3.25Å
90	K	84.1	Confident	87.5	Confident	142 Å²	142	48.6 Å²	48.6	62%	0.617	23%	0.23	S	C	*	.	H	α-helix	trans	-59.2	-57.9	-178.6	-174.3	-161.2	170.1	-148.8	0	110.6	P88 A92 N93 E94	P88-K90 VanDerWaalsContact C-N 3.26Å; P88-K90 PolarHBondContact O-N 2.62Å; P88-K90 VanDerWaalsContact O-N 3.15Å; K90-A92 VanDerWaalsContact C-N 3.33Å; K90-A92 PolarHBondContact O-N 3.06Å; K90-N93 PolarHBondContact O-N 3.13Å; K90-E94 PolarHBondContact O-N 2.84Å
91	D	87.6	Confident	87.4	Confident	60 Å²	60	50.2 Å²	50.2	32%	0.321	24%	0.243	S	C	.	.	H	α-helix	trans	-68.6	-36.8	-172.8	-39	-29.9	0	0	0	110.4	V6 P88 E94 M95	V6-D91 HydrophobicContact CG1-CB 3.91Å; P88-D91 WeakPolarHBondContact CB-OD2 3.17Å; P88-D91 WeakPolarHBondContact CG-OD2 3.49Å; P88-D91 PolarHBondContact O-N 2.86Å; D91-E94 PolarHBondContact O-N 2.83Å; D91-M95 VanDerWaalsContact O-CB 3.24Å; D91-M95 WeakPolarHBondContact O-CB 3.27Å; D91-M95 PolarHBondContact O-N 2.89Å
92	A	86.9	Confident	87.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-34.1	174.1	0	0	0	0	0	113.2	L62 C70 V87 P88 K90 R96	L62-A92 HydrophobicContact CD1-CB 3.59Å; C70-A92 HydrophobicContact CB-CB 4.05Å; V87-A92 HydrophobicContact CB-CB 4Å; V87-A92 HydrophobicContact CG1-CB 3.74Å; P88-A92 WeakPolarHBondContact O-CB 3.35Å; P88-A92 PolarHBondContact O-N 3.33Å; K90-A92 VanDerWaalsContact C-N 3.33Å; K90-A92 PolarHBondContact O-N 3.06Å; A92-R96 WeakPolarHBondContact O-CB 3.35Å; A92-R96 PolarHBondContact O-N 3.36Å
93	N	86.1	Confident	86.6	Confident	44 Å²	44	50.8 Å²	50.8	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-74.4	-38.7	174.2	-178.6	83.7	0	0	0	111.8	L62 F89 K90 R96 M97	L62-N93 HydrophobicContact CD2-CB 4.2Å; F89-N93 HydrophobicContact CE1-CB 4.32Å; F89-N93 WeakPolarHBondContact O-CB 3.44Å; F89-N93 PolarHBondContact O-N 3.25Å; K90-N93 PolarHBondContact O-N 3.13Å; N93-R96 PolarHBondContact O-N 3.03Å; N93-R96 PolarHBondContact OD1-NH1 3.18Å; N93-R96 PolarHBondContact OD1-NH2 3.45Å; N93-R96 VanDerWaalsContact OD1-NH2 3.11Å; N93-M97 WeakPolarHBondContact O-CG 3.31Å; N93-M97 PolarHBondContact O-N 2.92Å
94	E	87.8	Confident	85.8	Confident	97 Å²	97	54.9 Å²	54.9	45%	0.453	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-47.5	174.6	-158.2	175.6	146.1	0	0	110.8	L4 K90 D91 R96 M97 Y98	L4-E94 HydrophobicContact CD1-CG 4.34Å; K90-E94 PolarHBondContact O-N 2.84Å; D91-E94 PolarHBondContact O-N 2.83Å; E94-R96 PolarHBondContact O-N 3.19Å; E94-M97 PolarHBondContact O-N 2.83Å; E94-Y98 PolarHBondContact O-N 3Å; E94-Y98 VanDerWaalsContact O-N 3.08Å
95	M	88.8	Confident	84.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-45.3	171.3	-172.5	76.5	176.3	0	0	112	L4 V6 F27 I29 L38 L72 D91 Y98 L99	L4-M95 HydrophobicContact CD2-CB 4.03Å; L4-M95 HydrophobicContact CD2-SD 3.74Å; V6-M95 HydrophobicContact CG1-CB 4.24Å; V6-M95 HydrophobicContact CG2-CG 4.22Å; V6-M95 HydrophobicContact CG2-SD 4.28Å; F27-M95 HydrophobicContact CB-CE 3.91Å; F27-M95 HydrophobicContact CD2-CE 4.37Å; I29-M95 HydrophobicContact CD1-CE 3.76Å; I29-M95 HydrophobicContact CD1-SD 3.67Å; I29-M95 HydrophobicContact CG1-CE 3.55Å; I29-M95 HydrophobicContact CG1-SD 3.84Å; L38-M95 HydrophobicContact CD1-CE 3.52Å; L72-M95 HydrophobicContact CD2-CB 4.06Å; L72-M95 HydrophobicContact CD2-CG 3.48Å; L72-M95 VanDerWaalsContact CD2-CG 3.48Å; D91-M95 VanDerWaalsContact O-CB 3.24Å; D91-M95 WeakPolarHBondContact O-CB 3.27Å; D91-M95 PolarHBondContact O-N 2.89Å; M95-Y98 PolarHBondContact O-N 3.14Å; M95-L99 HydrophobicContact CE-CD1 4.37Å; M95-L99 HydrophobicContact CG-CD1 4.18Å; M95-L99 VanDerWaalsContact O-CG 3.29Å; M95-L99 WeakPolarHBondContact O-CG 3.38Å; M95-L99 PolarHBondContact O-N 3.28Å
96	R	88.1	Confident	82.7	Confident	55 Å²	55	66.2 Å²	66.2	21%	0.208	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-47.2	176.5	-162.9	-156.6	64.7	-109.8	-9.1	111.2	V60 L72 A92 N93 E94 Y98 L99 D100	V60-R96 HydrophobicContact CB-CG 4.18Å; V60-R96 HydrophobicContact CG1-CG 3.69Å; L72-R96 HydrophobicContact CD1-CB 4.08Å; L72-R96 HydrophobicContact CD1-CG 4.24Å; A92-R96 WeakPolarHBondContact O-CB 3.35Å; A92-R96 PolarHBondContact O-N 3.36Å; N93-R96 PolarHBondContact O-N 3.03Å; N93-R96 PolarHBondContact OD1-NH1 3.18Å; N93-R96 PolarHBondContact OD1-NH2 3.45Å; N93-R96 VanDerWaalsContact OD1-NH2 3.11Å; E94-R96 PolarHBondContact O-N 3.19Å; R96-Y98 VanDerWaalsContact C-N 3.31Å; R96-Y98 PolarHBondContact O-N 2.89Å; R96-L99 CarbonylContact O-C 3.55Å; R96-L99 PolarHBondContact O-N 2.86Å; R96-L99 VanDerWaalsContact O-N 3.14Å; R96-D100 IonicContact CZ-OD2 2.67Å; R96-D100 IonicContact NE-OD2 2.71Å; R96-D100 PolarHBondContact NE-OD2 2.86Å; R96-D100 WeakPolarHBondContact O-CB 3.31Å; R96-D100 PolarHBondContact O-N 2.64Å
97	M	85.6	Confident	81.1	Confident	115 Å²	115	62.7 Å²	62.7	57%	0.567	30%	0.302	S	S	*	.	H	α-helix	trans	-64.3	-33.1	-178.4	-70.6	-160.8	73.9	0	0	113.3	N93 E94 A101	N93-M97 WeakPolarHBondContact O-CG 3.31Å; N93-M97 PolarHBondContact O-N 2.92Å; E94-M97 PolarHBondContact O-N 2.83Å; M97-A101 WeakPolarHBondContact O-CB 3.29Å; M97-A101 PolarHBondContact O-N 3.5Å; M97-A101 VanDerWaalsContact O-N 3.07Å
98	Y	86.9	Confident	79.2	Confident	40 Å²	40	67.8 Å²	67.8	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-67.5	-46.9	171	-171.4	-76.2	0	0	0	111.2	L4 I29 E31 V36 E94 M95 R96 D100 A101 V102	L4-Y98 HydrophobicContact CD1-CD2 4.44Å; I29-Y98 HydrophobicContact CD1-CD1 3.34Å; I29-Y98 HydrophobicContact CD1-CE1 3.77Å; I29-Y98 HydrophobicContact CD1-CG 4.02Å; I29-Y98 HydrophobicContact CG2-CD1 4.3Å; I29-Y98 HydrophobicContact CG2-CE1 3.64Å; E31-Y98 PolarHBondContact OE2-OH 3.33Å; V36-Y98 HydrophobicContact CG1-CE1 3.86Å; E94-Y98 PolarHBondContact O-N 3Å; E94-Y98 VanDerWaalsContact O-N 3.08Å; M95-Y98 PolarHBondContact O-N 3.14Å; R96-Y98 VanDerWaalsContact C-N 3.31Å; R96-Y98 PolarHBondContact O-N 2.89Å; Y98-D100 VanDerWaalsContact C-N 3.32Å; Y98-D100 PolarHBondContact O-N 3.06Å; Y98-A101 WeakPolarHBondContact O-CB 3.16Å; Y98-A101 PolarHBondContact O-N 3.46Å; Y98-A101 VanDerWaalsContact O-N 3.13Å; Y98-V102 HydrophobicContact CD1-CG2 3.75Å; Y98-V102 HydrophobicContact CE1-CG2 3.46Å; Y98-V102 VanDerWaalsContact CE1-CG2 3.46Å; Y98-V102 WeakPolarHBondContact O-CG2 3.18Å; Y98-V102 PolarHBondContact O-N 3.35Å
99	L	86.5	Confident	76.5	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-37.7	177	-66.3	171.9	0	0	0	112.5	I29 L53 I57 V60 L72 L74 M95 R96 V102 H103	I29-L99 HydrophobicContact CD1-CD2 4.15Å; I29-L99 HydrophobicContact CD1-CG 4.48Å; L53-L99 HydrophobicContact CD1-CD2 3.41Å; L53-L99 VanDerWaalsContact CD1-CD2 3.41Å; L53-L99 HydrophobicContact CD2-CD2 4.44Å; I57-L99 HydrophobicContact CD1-CB 4.2Å; I57-L99 HydrophobicContact CD1-CD2 4.03Å; I57-L99 WeakPolarHBondContact CD1-O 3.37Å; V60-L99 HydrophobicContact CG1-CB 4.12Å; V60-L99 HydrophobicContact CG1-CD1 3.94Å; V60-L99 HydrophobicContact CG2-CB 3.8Å; L72-L99 HydrophobicContact CD2-CD1 4.26Å; L74-L99 HydrophobicContact CD2-CD1 4.42Å; M95-L99 HydrophobicContact CE-CD1 4.37Å; M95-L99 HydrophobicContact CG-CD1 4.18Å; M95-L99 VanDerWaalsContact O-CG 3.29Å; M95-L99 WeakPolarHBondContact O-CG 3.38Å; M95-L99 PolarHBondContact O-N 3.28Å; R96-L99 CarbonylContact O-C 3.55Å; R96-L99 PolarHBondContact O-N 2.86Å; R96-L99 VanDerWaalsContact O-N 3.14Å; L99-V102 PolarHBondContact O-N 3.41Å; L99-H103 WeakPolarHBondContact O-CB 3.31Å; L99-H103 PolarHBondContact O-N 3.29Å
100	D	83.6	Confident	73.9	Confident	41 Å²	41	70 Å²	70	22%	0.219	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-40.1	173.7	-67.1	-30.2	0	0	0	110.8	R96 Y98 H103 Q104	R96-D100 IonicContact CZ-OD2 2.67Å; R96-D100 IonicContact NE-OD2 2.71Å; R96-D100 PolarHBondContact NE-OD2 2.86Å; R96-D100 WeakPolarHBondContact O-CB 3.31Å; R96-D100 PolarHBondContact O-N 2.64Å; Y98-D100 VanDerWaalsContact C-N 3.32Å; Y98-D100 PolarHBondContact O-N 3.06Å; D100-H103 PolarHBondContact O-N 3.29Å; D100-Q104 WeakPolarHBondContact O-CB 3.48Å; D100-Q104 VanDerWaalsContact O-CG 3.31Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 2.72Å
101	A	82.3	Confident	71.4	Confident	35 Å²	35	67 Å²	67	29%	0.289	37%	0.366	S	S	.	.	H	α-helix	trans	-69.7	-34.7	176.9	0	0	0	0	0	113.4	M97 Y98 Q104 D105 R106	M97-A101 WeakPolarHBondContact O-CB 3.29Å; M97-A101 PolarHBondContact O-N 3.5Å; M97-A101 VanDerWaalsContact O-N 3.07Å; Y98-A101 WeakPolarHBondContact O-CB 3.16Å; Y98-A101 PolarHBondContact O-N 3.46Å; Y98-A101 VanDerWaalsContact O-N 3.13Å; A101-Q104 PolarHBondContact O-N 2.76Å; A101-D105 PolarHBondContact O-N 2.73Å; A101-R106 PolarHBondContact O-N 2.83Å; A101-R106 VanDerWaalsContact O-N 3.08Å
102	V	81.9	Confident	68.6	Low	6 Å²	6	74 Å²	74	4%	0.036	39%	0.394	C	S	.	.	H	α-helix	trans	-68.1	-40.8	171.9	174.6	0	0	0	0	111	V36 L53 I57 Y98 L99 Q104 D105 V107	V36-V102 HydrophobicContact CB-CG1 4.36Å; V36-V102 HydrophobicContact CB-CG2 4.43Å; V36-V102 HydrophobicContact CG1-CG1 4.43Å; V36-V102 HydrophobicContact CG1-CG2 4Å; V36-V102 HydrophobicContact CG2-CG2 4.3Å; L53-V102 HydrophobicContact CB-CG1 4.02Å; I57-V102 HydrophobicContact CD1-CB 4.13Å; I57-V102 HydrophobicContact CD1-CG1 3.96Å; Y98-V102 HydrophobicContact CD1-CG2 3.75Å; Y98-V102 HydrophobicContact CE1-CG2 3.46Å; Y98-V102 VanDerWaalsContact CE1-CG2 3.46Å; Y98-V102 WeakPolarHBondContact O-CG2 3.18Å; Y98-V102 PolarHBondContact O-N 3.35Å; L99-V102 PolarHBondContact O-N 3.41Å; V102-Q104 VanDerWaalsContact C-N 3.3Å; V102-Q104 PolarHBondContact O-N 2.86Å; V102-D105 PolarHBondContact O-N 3.42Å; V102-V107 HydrophobicContact CG2-CG2 3.92Å
103	H	79.9	Confident	66	Low	91 Å²	91	80 Å²	80	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-65.6	-32.4	175.3	179	72.9	0	0	0	112.6	I57 K58 L99 D100 D105	I57-H103 HydrophobicContact CB-CB 4.02Å; I57-H103 HydrophobicContact CD1-CB 4.37Å; I57-H103 HydrophobicContact CG2-CB 3.88Å; I57-H103 PolarHBondContact O-CE1 2.91Å; I57-H103 PolarHBondContact O-ND1 3.15Å; K58-H103 PolarHBondContact O-CE1 3.32Å; L99-H103 WeakPolarHBondContact O-CB 3.31Å; L99-H103 PolarHBondContact O-N 3.29Å; D100-H103 PolarHBondContact O-N 3.29Å; H103-D105 VanDerWaalsContact C-N 3.34Å
104	Q	73.8	Confident	63.3	Low	106 Å²	106	83.2 Å²	83.2	50%	0.495	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.4	175.9	-67.8	178.6	25	0	0	114.4	D100 A101 V102 R106	D100-Q104 WeakPolarHBondContact O-CB 3.48Å; D100-Q104 VanDerWaalsContact O-CG 3.31Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 2.72Å; A101-Q104 PolarHBondContact O-N 2.76Å; V102-Q104 VanDerWaalsContact C-N 3.3Å; V102-Q104 PolarHBondContact O-N 2.86Å; Q104-R106 HydrophobicContact CB-CG 4.05Å; Q104-R106 WeakPolarHBondContact O-CG 3.23Å; Q104-R106 PolarHBondContact O-N 2.74Å; Q104-R106 VanDerWaalsContact O-N 3.14Å
105	D	62.8	Low	60.8	Low	91 Å²	91	88.2 Å²	88.2	49%	0.487	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	20.1	179.4	-121.9	-16.7	0	0	0	115.2	H55 A101 V102 H103 V107	H55-D105 IonicContact CE1-OD1 2.71Å; H55-D105 PolarHBondContact CE1-OD1 3.26Å; H55-D105 VanDerWaalsContact CE1-OD1 3.22Å; H55-D105 IonicContact CE1-OD2 2.79Å; H55-D105 PolarHBondContact CE1-OD2 2.72Å; H55-D105 IonicContact ND1-OD1 3.2Å; H55-D105 PolarHBondContact ND1-OD1 3.34Å; H55-D105 IonicContact ND1-OD2 3.71Å; H55-D105 PolarHBondContact ND1-OD2 3.07Å; A101-D105 PolarHBondContact O-N 2.73Å; V102-D105 PolarHBondContact O-N 3.42Å; H103-D105 VanDerWaalsContact C-N 3.34Å; D105-V107 VanDerWaalsContact C-N 3.35Å; D105-V107 PolarHBondContact O-N 3.39Å
106	R	53.7	Low	57.8	Low	170 Å²	170	92.1 Å²	92.1	64%	0.642	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-82.7	-6.7	-170.9	-71.3	-175.5	175.7	-169.7	-0.6	114.9	A101 Q104 H108 T109	A101-R106 PolarHBondContact O-N 2.83Å; A101-R106 VanDerWaalsContact O-N 3.08Å; Q104-R106 HydrophobicContact CB-CG 4.05Å; Q104-R106 WeakPolarHBondContact O-CG 3.23Å; Q104-R106 PolarHBondContact O-N 2.74Å; Q104-R106 VanDerWaalsContact O-N 3.14Å; R106-H108 PolarHBondContact O-N 2.8Å; R106-H108 VanDerWaalsContact O-N 3.15Å; R106-T109 PolarHBondContact O-N 3.03Å
107	V	54.3	Low	55	Low	52 Å²	52	95.8 Å²	95.8	32%	0.315	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-62.5	-24.3	-171.5	-173.9	0	0	0	0	112.8	V102 D105	V102-V107 HydrophobicContact CG2-CG2 3.92Å; D105-V107 VanDerWaalsContact C-N 3.35Å; D105-V107 PolarHBondContact O-N 3.39Å
108	H	48.7	Very low	52.2	Low	106 Å²	106	93.6 Å²	93.6	49%	0.491	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-103.6	6.5	-176.9	-63.3	-32.9	0	0	0	115.3	R106 A110	R106-H108 PolarHBondContact O-N 2.8Å; R106-H108 VanDerWaalsContact O-N 3.15Å; H108-A110 PolarHBondContact O-N 2.79Å
109	T	33.7	Very low	49.3	Very low	126 Å²	126	96.9 Å²	96.9	77%	0.773	59%	0.591	S	S	*	*			trans	-102.4	59.9	-177	-46.3	0	0	0	0	112.7	R106	R106-T109 PolarHBondContact O-N 3.03Å
110	A	29.7	Very low	46.4	Very low	94 Å²	94	107 Å²	107	78%	0.777	64%	0.636	S	S	*	*			trans	-131.3	101	167.6	0	0	0	0	0	109.5	H108	H108-A110 PolarHBondContact O-N 2.79Å
111	G	30.3	Very low	43.6	Very low	77 Å²	77	108.2 Å²	108.2	79%	0.794	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-71.9	141.9	-169.4	0	0	0	0	0	114.5	P113	G111-P113 WeakPolarHBondContact O-CD 3.44Å
112	K	29.3	Very low	41	Very low	209 Å²	209	110.1 Å²	110.1	91%	0.909	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-69.9	127.3	169.1	-63.3	176.7	-179	175.7	0	110.4
113	P	32.8	Very low	38.4	Very low	126 Å²	126	116 Å²	116	82%	0.818	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-73.1	156.9	154.2	32.3	-32.4	0	0	0	110.2	G111	G111-P113 WeakPolarHBondContact O-CD 3.44Å
114	S	29.9	Very low	35.8	Very low	110 Å²	110	119.6 Å²	119.6	77%	0.769	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-97.3	139.1	-172	56.4	0	0	0	0	114.2
115	Q	34.4	Very low	33.5	Very low	203 Å²	203	118 Å²	118	95%	0.949	75%	0.749	S	S	*	*			trans	59.2	128.1	163.2	-62.2	-167.6	-2.3	0	0	118.6
116	G	26.2	Very low	31.8	Very low	82 Å²	82	119.3 Å²	119.3	85%	0.845	77%	0.766	S	S	*	*			trans	-177.7	138.4	169.2	0	0	0	0	0	110.2
117	S	29.5	Very low	30.6	Very low	131 Å²	131	122 Å²	122	92%	0.916	78%	0.776	S	S	*	*			trans	-108.8	150.5	-178.8	-173.4	0	0	0	0	111.9
118	G	26.6	Very low	29.3	Very low	69 Å²	69	125.1 Å²	125.1	71%	0.711	80%	0.795	S	S	*	*			trans	79	172.1	177.4	0	0	0	0	0	114.9
119	S	26.3	Very low	28.3	Very low	109 Å²	109	124.9 Å²	124.9	76%	0.762	80%	0.801	S	S	*	*			cis	170.5	120.6	-20.2	170.1	0	0	0	0	106.6
120	F	24.6	Very low	28	Very low	214 Å²	214	125.9 Å²	125.9	94%	0.939	80%	0.797	S	S	*	*			trans	64.2	140.4	159.3	-120.9	-100.5	0	0	0	120.8
121	G	25.7	Very low	27.9	Very low	65 Å²	65	129.9 Å²	129.9	67%	0.67	80%	0.797	S	S	*	*				118.5	56.3	119.3	0	0	0	0	0	121.9
122	G	26.2	Very low	27.7	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	80%	0.802	S	S	*	*			trans	65.8	-161.5	157.1	0	0	0	0	0	116.4
123	V	27.4	Very low	27.6	Very low	130 Å²	130	130.3 Å²	130.3	79%	0.788	80%	0.8	S	S	*	*			cis	-155.2	144.7	-15.7	108.9	0	0	0	0	110.6
124	L	26.9	Very low	27.2	Very low	166 Å²	166	131.2 Å²	131.2	87%	0.869	80%	0.798	S	S	*	*			trans	40.5	124.9	161.9	-63	172.1	0	0	0	122.6
125	G	25.5	Very low	27.2	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	81%	0.805	S	S	*	*			trans	86	162	137.6	0	0	0	0	0	117.8
126	S	26.4	Very low	26.8	Very low	119 Å²	119	134.8 Å²	134.8	83%	0.832	79%	0.792	S	S	*	*			cis	-167.2	166.3	-15.7	-123.7	0	0	0	0	110.7
127	R	28.6	Very low	26.7	Very low	228 Å²	228	139 Å²	139	86%	0.86	79%	0.787	S	S	*	*			trans	-12.8	153.3	156.4	-65.1	179.5	166.2	-165.5	-4.2	118.5
128	T	27.1	Very low	26.4	Very low	116 Å²	116	137.3 Å²	137.3	71%	0.712	78%	0.776	S	S	*	*			cis	-170.4	-169.4	-7.7	32.8	0	0	0	0	106.3
129	T	26.7	Very low	26.3	Very low	101 Å²	101	144.1 Å²	144.1	62%	0.62	78%	0.781	S	S	*	*			cis	-166.1	157.2	12.1	-14.8	0	0	0	0	110.2
130	Q	27.4	Very low	26.3	Very low	148 Å²	148	146 Å²	146	69%	0.692	78%	0.781	S	S	*	*			trans	66.4	162.1	156.2	-70.1	-179.9	60.6	0	0	117
131	K	27.8	Very low	26.4	Very low	178 Å²	178	142.4 Å²	142.4	77%	0.774	77%	0.767	S	S	*	*			cis	-148	158.3	-9.8	-135.6	171.9	-174.1	153.2	0	110.5
132	E	25.6	Very low	26.4	Very low	189 Å²	189	145.2 Å²	145.2	88%	0.883	77%	0.767	S	S	*	*			trans	-80.1	145.6	170.5	-61.2	165.4	111.5	0	0	112.3
133	A	27.3	Very low	26.3	Very low	106 Å²	106	150.7 Å²	150.7	88%	0.876	77%	0.772	S	S	*	*			trans	-146.2	126.5	155.1	0	0	0	0	0	108.4
134	N	26.1	Very low	26.2	Very low	144 Å²	144	150.7 Å²	150.7	77%	0.77	77%	0.772	S	S	*	*			trans	-132.7	126.4	-171.5	175.3	6.5	0	0	0	110.4
135	R	28.7	Very low	27.1	Very low	246 Å²	246	148.2 Å²	148.2	93%	0.928	77%	0.767	S	S	*	*			trans	-147.7	127.1	161.1	-97.2	-173.9	177.8	-175.3	-1.6	111.9
136	Q	26.2	Very low	28.2	Very low	143 Å²	143	149.3 Å²	149.3	67%	0.668	76%	0.76	S	S	*	*			trans	-54.1	165.3	164.6	-68.2	158.2	-93.2	0	0	112.4
137	F	24.5	Very low	28.3	Very low	170 Å²	170	153.2 Å²	153.2	75%	0.746	76%	0.762	S	S	*	*			cis	-155.3	166.4	36.7	-100.5	-78.4	0	0	0	114.3
138	S	22.4	Very low	28.3	Very low	96 Å²	96	153.6 Å²	153.6	67%	0.671	76%	0.764	S	S	*	*			trans	63.1	129.9	156	43.1	0	0	0	0	119.6
139	Y	24.1	Very low	28.2	Very low	212 Å²	212	152.2 Å²	152.2	83%	0.831	76%	0.764	S	S	*	*				58.9	124.5	67.6	-84.3	-71.1	0	0	0	111.3
140	I	28.1	Very low	28.3	Very low	149 Å²	149	153.2 Å²	153.2	76%	0.764	77%	0.771	S	S	*	*			cis	-151.9	157.2	22.3	-90.4	164.3	0	0	0	107.3
141	E	25.4	Very low	28.6	Very low	138 Å²	138	151.6 Å²	151.6	65%	0.645	77%	0.771	S	S	*	*			cis	-172	-166	-18.4	-172.7	161.2	132.8	0	0	108.8
142	N	25.6	Very low	28.7	Very low	123 Å²	123	150.3 Å²	150.3	66%	0.658	77%	0.767	S	S	*	*			trans	-12.2	139.3	170	-53.4	-32.9	0	0	0	118
143	Q	25	Very low	28.9	Very low	192 Å²	192	146.4 Å²	146.4	90%	0.897	76%	0.761	S	S	*	*				-158.3	161.7	59.9	-77.6	170.1	54.8	0	0	114.8
144	T	25.3	Very low	29.1	Very low	129 Å²	129	149.3 Å²	149.3	79%	0.791	75%	0.754	S	S	*	*			trans	-86.8	175.8	172.9	48.4	0	0	0	0	113.7
145	P	46.2	Very low	29.4	Very low	115 Å²	115	148.6 Å²	148.6	75%	0.747	75%	0.75	S	S	*	*			cis	-133	-124.6	-29.2	35.8	-13.7	0	0	0	110.7
146	P	47.9	Very low	29.3	Very low	93 Å²	93	144.8 Å²	144.8	60%	0.604	74%	0.743	S	S	*	*				-125.3	158.5	-57.8	35.1	-18.8	0	0	0	116.8
147	K	28.3	Very low	29.2	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	75%	0.747	S	S	*	*			trans	63.8	150	151.8	-61.9	160.4	-177.6	174	0	117.3
148	R	27.6	Very low	30.6	Very low	236 Å²	236	140.1 Å²	140.1	89%	0.891	73%	0.734	S	S	*	*			cis	-171.5	174.4	27.8	-152.2	177.1	-174.8	168.4	0.1	111
149	A	26.3	Very low	30.9	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	74%	0.738	S	S	*	*			trans	75	158.9	154.6	0	0	0	0	0	120.7
150	T	28.1	Very low	31.1	Very low	123 Å²	123	143.4 Å²	143.4	76%	0.755	74%	0.735	S	S	*	*			cis	-166.5	178.7	-43	-38.9	0	0	0	0	109
151	V	34.4	Very low	31	Very low	114 Å²	114	145 Å²	145	69%	0.691	74%	0.736	S	S	*	*			trans	79.9	139.5	153.6	162.9	0	0	0	0	117.4
152	E	28.7	Very low	31	Very low	151 Å²	151	145.2 Å²	145.2	71%	0.706	75%	0.747	S	S	*	*			cis	-163.3	154.6	-6.9	-143.7	71.6	-65.8	0	0	116.2
153	S	31	Very low	31.1	Very low	106 Å²	106	147.1 Å²	147.1	74%	0.741	76%	0.756	S	S	*	*			trans	68.3	167	148.3	81.1	0	0	0	0	120.9
154	K	32.1	Very low	31	Very low	168 Å²	168	141.5 Å²	141.5	73%	0.73	75%	0.749	S	S	*	*			cis	-162.4	143.9	8.2	-158	158.8	172.5	175.4	0	115.9
155	D	30.8	Very low	31.3	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	75%	0.752	S	S	*	*			trans	45.7	162.4	147.8	-59.4	0.4	0	0	0	123.4
156	E	27.2	Very low	31.6	Very low	166 Å²	166	141.9 Å²	141.9	78%	0.776	75%	0.752	S	S	*	*			cis	-155.4	-178.9	1.9	-124.2	-82.5	71.7	0	0	111.7
157	N	23.8	Very low	30.6	Very low	143 Å²	143	141.8 Å²	141.8	77%	0.765	76%	0.759	S	S	*	*			trans	-117.4	-87.9	-145.2	-167.1	-6.7	0	0	0	124.2
158	P	55.1	Low	30.7	Very low	71 Å²	71	143.3 Å²	143.3	46%	0.461	76%	0.759	S	S	.	*				-130.2	156.2	-129.8	31.5	-12.8	0	0	0	121.5
159	F	28.2	Very low	30.7	Very low	176 Å²	176	138 Å²	138	77%	0.772	75%	0.753	S	S	*	*				155.8	133.5	120.3	-85.3	-54.4	0	0	0	122.9
160	R	27.5	Very low	30.9	Very low	201 Å²	201	138.6 Å²	138.6	76%	0.758	75%	0.752	S	S	*	*			trans	60.1	121.6	133.9	-80.9	171.6	-179.6	-161.6	3.7	128.5
161	K	27.2	Very low	31.1	Very low	182 Å²	182	139.1 Å²	139.1	79%	0.791	76%	0.755	S	S	*	*				57	140.3	122.5	-71.5	-173.4	173.4	-170.8	0	125.1
162	V	24.2	Very low	31.1	Very low	143 Å²	143	141.9 Å²	141.9	87%	0.867	76%	0.758	S	S	*	*				-178.7	173.5	116.2	149.4	0	0	0	0	112
163	L	28.6	Very low	31.2	Very low	164 Å²	164	140.7 Å²	140.7	86%	0.859	76%	0.756	S	S	*	*			trans	-107.2	167.4	-162.8	-65.6	84.2	0	0	0	116.8
164	G	23.4	Very low	31.1	Very low	73 Å²	73	141 Å²	141	75%	0.753	76%	0.758	S	S	*	*			trans	-169.5	149.2	158.8	0	0	0	0	0	114.8
165	T	31.5	Very low	32.3	Very low	138 Å²	138	139.4 Å²	139.4	85%	0.847	77%	0.765	S	S	*	*			trans	-148.1	-174.6	179.9	64.8	0	0	0	0	109.9
166	P	51.5	Low	32.1	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	77%	0.769	S	S	*	*			cis	-139.6	-175.1	-6.1	40.2	-19.9	0	0	0	117.5
167	A	28	Very low	32.3	Very low	91 Å²	91	136.3 Å²	136.3	75%	0.752	78%	0.778	S	S	*	*			trans	112.3	127	135.2	0	0	0	0	0	125.4
168	R	30.1	Very low	32.5	Very low	232 Å²	232	133.3 Å²	133.3	88%	0.875	78%	0.78	S	S	*	*			trans	74.9	110.6	137.3	-86.1	-171.1	169	178	-3.4	126.8
169	T	26.4	Very low	31.4	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	80%	0.801	S	S	*	*				41.2	152.9	117.7	57.4	0	0	0	0	124.3
170	S	31	Very low	32.9	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	80%	0.801	S	S	*	*			cis	177.4	148	-15.4	-171.1	0	0	0	0	114.2
171	V	31.9	Very low	33	Very low	134 Å²	134	129.6 Å²	129.6	81%	0.812	80%	0.8	S	S	*	*			trans	65.1	169.3	148.5	156.4	0	0	0	0	122.5
172	K	33.9	Very low	33.1	Very low	171 Å²	171	127.7 Å²	127.7	74%	0.743	80%	0.798	S	S	*	*				178	164.1	-59.2	-140.4	-175.3	172	-174.9	0	113.2
173	N	31.3	Very low	33.2	Very low	126 Å²	126	132 Å²	132	67%	0.674	80%	0.799	S	S	*	*			trans	74.4	151.2	162.5	-56.3	-9.1	0	0	0	118.7
174	S	30.1	Very low	33.2	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	79%	0.791	S	S	*	*			cis	94.9	154.8	16.5	-53.6	0	0	0	0	116.2
175	P	55.8	Low	33.3	Very low	135 Å²	135	132.8 Å²	132.8	88%	0.877	79%	0.791	S	S	*	*			cis	-136.6	-160.4	-22.2	41.7	-21.4	0	0	0	114.8
176	G	27	Very low	33.1	Very low	75 Å²	75	133.3 Å²	133.3	77%	0.773	79%	0.787	S	S	*	*			trans	-176.2	163	170.2	0	0	0	0	0	117.4
177	T	32.2	Very low	31.9	Very low	156 Å²	156	132.7 Å²	132.7	96%	0.957	79%	0.785	S	S	*	*			trans	-138	158	-169.6	40.6	0	0	0	0	115.7
178	G	27.7	Very low	31.9	Very low	79 Å²	79	133.2 Å²	133.2	81%	0.814	79%	0.789	S	S	*	*			trans	-175.6	164.6	173	0	0	0	0	0	116.3
179	T	31.6	Very low	31.9	Very low	147 Å²	147	127.5 Å²	127.5	90%	0.902	79%	0.785	S	S	*	*			trans	-120.9	171.3	-168.6	26.6	0	0	0	0	114.9
180	P	60.2	Low	32.6	Very low	120 Å²	120	128 Å²	128	78%	0.779	79%	0.791	S	S	*	*			trans	-110.6	167.6	-154	41.3	-37.3	0	0	0	118.2
181	S	28.4	Very low	32.5	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	79%	0.792	S	S	*	*			trans	-164.4	129.3	154.8	-118.7	0	0	0	0	117.5
182	N	29.3	Very low	32.5	Very low	142 Å²	142	126.6 Å²	126.6	76%	0.759	79%	0.792	S	S	*	*			trans	61.9	144.8	131	-86	-56.2	0	0	0	125.7
183	R	27.5	Very low	32.2	Very low	232 Å²	232	124.1 Å²	124.1	88%	0.875	80%	0.796	S	S	*	*			trans	73.8	152.8	157.2	-71.9	178.8	-177.4	-170.5	1.3	119.6
184	V	27.5	Very low	32.3	Very low	113 Å²	113	124.3 Å²	124.3	69%	0.685	80%	0.802	S	S	*	*			cis	-172.3	144.1	-35.8	111.8	0	0	0	0	109.5
185	N	26	Very low	32.8	Very low	141 Å²	141	124.4 Å²	124.4	75%	0.754	80%	0.8	S	S	*	*			trans	60.5	169.3	167.5	-69.4	2	0	0	0	116.6
186	I	28.2	Very low	31.5	Very low	149 Å²	149	126 Å²	126	76%	0.764	80%	0.795	S	S	*	*			cis	-145.3	171.3	-1.9	-135.5	157.6	0	0	0	110.9
187	S	25.4	Very low	31.7	Very low	103 Å²	103	133.2 Å²	133.2	72%	0.72	80%	0.799	S	S	*	*			trans	-80.2	151.5	178.1	55.7	0	0	0	0	115.6
188	A	28.1	Very low	31.5	Very low	101 Å²	101	130.8 Å²	130.8	84%	0.835	80%	0.795	S	S	*	*			trans	-178	148.6	132.3	0	0	0	0	0	113.7
189	S	29.6	Very low	31.4	Very low	113 Å²	113	130.3 Å²	130.3	79%	0.79	79%	0.79	S	S	*	*			trans	-89.2	170.1	159.1	-49	0	0	0	0	110.2
190	P	41.5	Very low	31.2	Very low	134 Å²	134	131.2 Å²	131.2	87%	0.87	79%	0.788	S	S	*	*				-143.1	-170.7	95.5	39	-24.1	0	0	0	113.3
191	A	29.8	Very low	29.5	Very low	89 Å²	89	132.1 Å²	132.1	74%	0.736	79%	0.786	S	S	*	*			trans	-137.1	168.6	-169.4	0	0	0	0	0	114.2
192	S	30.4	Very low	29.5	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	79%	0.786	S	S	*	*			trans	75.8	133.7	157.2	78.3	0	0	0	0	120.5
193	S	28.9	Very low	29.5	Very low	119 Å²	119	134 Å²	134	83%	0.832	78%	0.783	S	S	*	*				-166.9	153.1	129	38.6	0	0	0	0	109.5
194	V	32.5	Very low	29.7	Very low	130 Å²	130	132.6 Å²	132.6	79%	0.788	78%	0.777	S	S	*	*			trans	-145.8	144.7	-174.5	-175.9	0	0	0	0	108.8
195	P	41.6	Very low	29.8	Very low	115 Å²	115	132.1 Å²	132.1	75%	0.747	77%	0.768	S	S	*	*			trans	-144	136.5	133.4	31.4	-13.8	0	0	0	116.2
196	H	28.8	Very low	30.1	Very low	169 Å²	169	132.5 Å²	132.5	78%	0.782	76%	0.763	S	S	*	*				15.8	150.9	123.5	-62.8	-53.2	0	0	0	121.2
197	R	30.4	Very low	30.1	Very low	226 Å²	226	135.9 Å²	135.9	85%	0.853	77%	0.766	S	S	*	*			cis	178.9	136.7	-3.9	168.1	-173.5	-163.2	177.5	5	111.4
198	A	27.1	Very low	30.5	Very low	105 Å²	105	140.3 Å²	140.3	87%	0.868	77%	0.772	S	S	*	*			trans	60.9	157.1	165.1	0	0	0	0	0	119.2
199	G	26.1	Very low	30.6	Very low	69 Å²	69	145.7 Å²	145.7	71%	0.711	77%	0.771	S	S	*	*			cis	170.3	161.7	-11.8	0	0	0	0	0	115.1
200	L	27	Very low	30.3	Very low	166 Å²	166	145.2 Å²	145.2	87%	0.869	76%	0.763	S	S	*	*			trans	75.7	143.7	163.3	-105.3	72.2	0	0	0	123.6
201	L	26.1	Very low	29.6	Very low	138 Å²	138	147.2 Å²	147.2	72%	0.723	76%	0.761	S	S	*	*			trans	80.2	102.6	151.8	-67.1	169.5	0	0	0	124.2
202	E	28.1	Very low	30.9	Very low	157 Å²	157	148 Å²	148	73%	0.734	76%	0.759	S	S	*	*				57.3	125.6	124	-76.8	-159.5	111.9	0	0	126.2
203	N	29.3	Very low	31.5	Very low	129 Å²	129	148.4 Å²	148.4	69%	0.69	76%	0.758	S	S	*	*				92.1	153.4	127.8	-88.4	-39.1	0	0	0	124.4
204	R	30.3	Very low	31.3	Very low	202 Å²	202	146.4 Å²	146.4	76%	0.762	76%	0.756	S	S	*	*			trans	76.1	138.4	159.9	-77.5	-173.8	125.6	101.5	17.6	118.4
205	E	31.4	Very low	31	Very low	103 Å²	103	146.1 Å²	146.1	48%	0.481	76%	0.761	S	S	.	*			cis	-172.9	170.6	-6.1	-137.4	176.7	162.8	0	0	114.7
206	K	31.1	Very low	30.3	Very low	150 Å²	150	148.4 Å²	148.4	65%	0.652	76%	0.761	S	S	*	*			trans	76.6	149	152.4	-74	151.5	-175.8	148.8	0	117.9
207	R	28.9	Very low	30.2	Very low	220 Å²	220	148.2 Å²	148.2	83%	0.83	76%	0.763	S	S	*	*			cis	-157.8	138.1	17.5	-134.6	163.2	-169.4	177.9	1.6	115.3
208	K	32.8	Very low	29.9	Very low	195 Å²	195	142.9 Å²	142.9	85%	0.848	76%	0.76	S	S	*	*			trans	26.5	148.4	141.7	-79.5	-170.9	-180	-173.7	0	121.3
209	R	30.7	Very low	30	Very low	215 Å²	215	146.4 Å²	146.4	81%	0.811	76%	0.758	S	S	*	*			cis	-167.3	-171.5	2.9	-150.7	-172.1	174.7	-149.2	-2.2	106.9
210	T	24.2	Very low	29.9	Very low	103 Å²	103	149.5 Å²	149.5	63%	0.632	76%	0.759	S	S	*	*			cis	-159.3	-163.8	13.4	-30.9	0	0	0	0	111.9
211	Q	26.1	Very low	29.8	Very low	175 Å²	175	151.2 Å²	151.2	82%	0.818	76%	0.755	S	S	*	*			trans	-165.1	-172.3	-177.3	-115.5	-168.7	8.4	0	0	108
212	P	57.1	Low	30	Very low	107 Å²	107	150 Å²	150	70%	0.695	76%	0.755	S	S	*	*			cis	-114.7	-134.5	-17.2	41.5	-24.5	0	0	0	108.5
213	P	43.1	Very low	30.1	Very low	123 Å²	123	151.7 Å²	151.7	80%	0.799	76%	0.76	S	S	*	*			cis	-115.3	-162.5	-32.7	40.5	-23.7	0	0	0	111.4
214	G	23.8	Very low	29.9	Very low	77 Å²	77	153.8 Å²	153.8	79%	0.794	77%	0.766	S	S	*	*			cis	125.5	122.7	-10	0	0	0	0	0	115.4
215	S	26.9	Very low	29.6	Very low	125 Å²	125	152 Å²	152	87%	0.874	77%	0.772	S	S	*	*			trans	-158.9	126.6	165.4	-176.7	0	0	0	0	112.8
216	E	26.9	Very low	29.3	Very low	163 Å²	163	154 Å²	154	76%	0.762	79%	0.786	S	S	*	*			trans	-41.6	155.8	168.3	-79.7	169.1	-175.3	0	0	117.9
217	M	26.9	Very low	29	Very low	164 Å²	164	152.1 Å²	152.1	81%	0.808	79%	0.791	S	S	*	*			cis	-128.9	-152.6	-0.8	-72.7	-147.7	164.8	0	0	110.3
218	S	25	Very low	28.8	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	78%	0.781	S	S	*	*			cis	-160.8	-166.9	13.3	66.1	0	0	0	0	114.4
219	E	28.2	Very low	28.5	Very low	179 Å²	179	142.5 Å²	142.5	84%	0.836	78%	0.777	S	S	*	*			trans	-64.4	160.3	-177.9	-58.2	162.2	153.1	0	0	113.6
220	D	24.3	Very low	28.2	Very low	134 Å²	134	137.7 Å²	137.7	72%	0.717	77%	0.767	S	S	*	*			cis	-151.3	160.6	19.5	-158.4	9.6	0	0	0	115.2
221	Y	25.3	Very low	28.2	Very low	203 Å²	203	140.5 Å²	140.5	80%	0.796	78%	0.779	S	S	*	*			trans	37.5	126.4	169.5	-95.2	-79.7	0	0	0	123.9
222	P	30.8	Very low	28.4	Very low	112 Å²	112	141.4 Å²	141.4	73%	0.727	78%	0.78	S	S	*	*			trans	-113.8	156.5	172.4	40.4	-32.3	0	0	0	115.9
223	K	28.6	Very low	26.9	Very low	192 Å²	192	140.7 Å²	140.7	84%	0.835	78%	0.783	S	S	*	*			trans	176.9	144.9	148.7	-105.1	-176.6	176.7	-179.3	0	110.8
224	E	25.6	Very low	26.1	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	79%	0.787	S	S	*	*			cis	-157.4	143.5	-39.4	-127.9	175.2	168.5	0	0	108.3
225	N	24.6	Very low	26.5	Very low	165 Å²	165	144.9 Å²	144.9	88%	0.882	79%	0.789	S	S	*	*			trans	-20.4	135.6	-176.6	-92.7	-14.5	0	0	0	122.3
226	D	23.9	Very low	26.5	Very low	146 Å²	146	143.4 Å²	143.4	78%	0.781	77%	0.771	S	S	*	*			trans	-52.3	169.3	141.6	-92.7	-60.4	0	0	0	113.9
227	S	24.5	Very low	26.7	Very low	110 Å²	110	140.8 Å²	140.8	77%	0.769	77%	0.769	S	S	*	*			trans	93.6	143.7	153.4	-54.3	0	0	0	0	118.9
228	S	25	Very low	27	Very low	89 Å²	89	135.3 Å²	135.3	62%	0.622	75%	0.749	S	S	*	*			cis	-173.3	166.9	-20.6	55.4	0	0	0	0	110.8
229	T	27.8	Very low	27.4	Very low	124 Å²	124	140.2 Å²	140.2	76%	0.761	75%	0.75	S	S	*	*			trans	70.9	159.4	165.5	80.3	0	0	0	0	116.4
230	N	23.3	Very low	27.5	Very low	113 Å²	113	140 Å²	140	60%	0.604	75%	0.747	S	S	*	*			cis	-147.2	147.6	3.8	-147.8	-22.3	0	0	0	112.4	K232	N230-K232 PolarHBondContact OD1-N 3.48Å; N230-K232 VanDerWaalsContact OD1-N 3.16Å
231	N	25.5	Very low	28.3	Very low	162 Å²	162	137.1 Å²	137.1	87%	0.866	73%	0.726	S	S	*	*				-164	98.7	124.7	-101.4	-29	0	0	0	110.9	A233	N231-A233 PolarHBondContact O-N 3.14Å
232	K	28.8	Very low	28.9	Very low	194 Å²	194	131.7 Å²	131.7	84%	0.843	71%	0.711	S	S	*	*			trans	-68.7	113.9	158.6	-77.1	-178.5	173.8	178.7	0	109.2	N230	N230-K232 PolarHBondContact OD1-N 3.48Å; N230-K232 VanDerWaalsContact OD1-N 3.16Å
233	A	25.7	Very low	28.9	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	70%	0.702	S	S	*	*			trans	-100.7	158.3	157.8	0	0	0	0	0	109.6	N231	N231-A233 PolarHBondContact O-N 3.14Å
234	L	26.3	Very low	29	Very low	168 Å²	168	123.6 Å²	123.6	88%	0.88	67%	0.673	S	S	*	*			trans	-75.1	151.7	-169.9	-74.6	79	0	0	0	112.7	D236	L234-D236 PolarHBondContact O-N 3.25Å
235	S	32	Very low	29.4	Very low	120 Å²	120	118.9 Å²	118.9	84%	0.839	66%	0.659	S	S	*	*			trans	-72.6	104.2	170.2	53.6	0	0	0	0	110.9
236	D	27.7	Very low	29.9	Very low	93 Å²	93	119.9 Å²	119.9	50%	0.497	65%	0.651	S	S	.	*			trans	-84.2	128	175.8	-171.5	-31.8	0	0	0	111.1	L234 A238	L234-D236 PolarHBondContact O-N 3.25Å; D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.4Å; D236-A238 VanDerWaalsContact OD1-CB 3.31Å; D236-A238 WeakPolarHBondContact OD1-CB 3.27Å; D236-A238 PolarHBondContact OD1-N 2.88Å
237	P	32.1	Very low	30.4	Very low	109 Å²	109	117.7 Å²	117.7	71%	0.708	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-57.9	-30.5	175.7	-25.3	35.5	0	0	0	115.2	W239 K240	P237-W239 VanDerWaalsContact C-N 3.27Å; P237-W239 PolarHBondContact O-N 2.82Å; P237-K240 PolarHBondContact O-N 3.07Å
238	A	31.4	Very low	30.9	Very low	48 Å²	48	117.1 Å²	117.1	40%	0.397	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-64.3	-28.1	-170.3	0	0	0	0	0	113.8	D236 K240 Y241	D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.4Å; D236-A238 VanDerWaalsContact OD1-CB 3.31Å; D236-A238 WeakPolarHBondContact OD1-CB 3.27Å; D236-A238 PolarHBondContact OD1-N 2.88Å; A238-K240 PolarHBondContact O-N 3.03Å; A238-K240 VanDerWaalsContact O-N 3.1Å; A238-Y241 PolarHBondContact O-N 3.47Å
239	W	33.3	Very low	31.7	Very low	217 Å²	217	120 Å²	120	82%	0.822	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-62.7	-20.3	-175.5	-89.2	66.3	0	0	0	114.7	P237 Y241	P237-W239 VanDerWaalsContact C-N 3.27Å; P237-W239 PolarHBondContact O-N 2.82Å; W239-Y241 VanDerWaalsContact C-N 3.31Å; W239-Y241 PolarHBondContact O-N 2.98Å
240	K	31.8	Very low	31.9	Very low	176 Å²	176	119.5 Å²	119.5	77%	0.765	62%	0.615	S	S	*	*	H	α-helix	trans	-75.4	-17.8	180	-67.3	-174.6	177.3	-178.3	0	113.8	P237 A238	P237-K240 PolarHBondContact O-N 3.07Å; A238-K240 PolarHBondContact O-N 3.03Å; A238-K240 VanDerWaalsContact O-N 3.1Å
241	Y	39.8	Very low	32.2	Very low	72 Å²	72	118 Å²	118	28%	0.282	61%	0.607	S	S	.	*	H	α-helix	trans	-81.8	-30.4	-171	-143	-89.2	0	0	0	114.1	A238 W239 S244 E542 Y543	A238-Y241 PolarHBondContact O-N 3.47Å; W239-Y241 VanDerWaalsContact C-N 3.31Å; W239-Y241 PolarHBondContact O-N 2.98Å; Y241-S244 WeakPolarHBondContact O-CB 3.25Å; Y241-S244 PolarHBondContact O-N 3.17Å; Y241-S244 VanDerWaalsContact O-N 3.15Å; Y241-E542 PolarHBondContact OH-O 3.37Å; Y241-Y543 HydrophobicContact CE1-CD2 4.2Å
242	L	38.8	Very low	32.6	Very low	89 Å²	89	116.4 Å²	116.4	47%	0.466	60%	0.598	S	S	.	*	H	α-helix	trans	-81.2	-30.1	-176.7	-66.2	178.7	0	0	0	113.6	S244 S245 K505	L242-S244 PolarHBondContact O-N 3.49Å; L242-S245 PolarHBondContact O-N 3.29Å; L242-K505 HydrophobicContact CD1-CD 4.08Å; L242-K505 HydrophobicContact CD2-CD 3.93Å
243	N	30.6	Very low	33	Very low	100 Å²	100	113.3 Å²	113.3	54%	0.535	59%	0.585	S	S	.	*	H	α-helix	trans	-61.6	-35.9	162.6	-83	3.6	0	0	0	110.5	S245 R246 E247	N243-S245 VanDerWaalsContact C-N 3.3Å; N243-S245 PolarHBondContact O-N 3.31Å; N243-R246 CarbonylContact O-C 3.57Å; N243-R246 PolarHBondContact O-N 2.64Å; N243-R246 VanDerWaalsContact O-N 3.1Å; N243-E247 VanDerWaalsContact O-CB 3.25Å; N243-E247 WeakPolarHBondContact O-CB 3.43Å; N243-E247 WeakPolarHBondContact O-CG 3.49Å; N243-E247 PolarHBondContact O-N 3.34Å
244	S	29.8	Very low	33.3	Very low	35 Å²	35	114.4 Å²	114.4	25%	0.245	57%	0.574	C	S	.	*	H	α-helix	trans	-59.7	-31.9	178.9	-164.2	0	0	0	0	114.1	Y241 L242 K248	Y241-S244 WeakPolarHBondContact O-CB 3.25Å; Y241-S244 PolarHBondContact O-N 3.17Å; Y241-S244 VanDerWaalsContact O-N 3.15Å; L242-S244 PolarHBondContact O-N 3.49Å; S244-K248 WeakPolarHBondContact O-CB 3.45Å; S244-K248 WeakPolarHBondContact O-CG 3.45Å; S244-K248 PolarHBondContact O-N 3.42Å
245	S	34.7	Very low	33.5	Very low	73 Å²	73	109.5 Å²	109.5	51%	0.51	56%	0.557	S	S	.	*	H	α-helix	trans	-71.2	-44.7	172.9	-63.6	0	0	0	0	112.3	L242 N243 E247 K248 Q249	L242-S245 PolarHBondContact O-N 3.29Å; N243-S245 VanDerWaalsContact C-N 3.3Å; N243-S245 PolarHBondContact O-N 3.31Å; S245-E247 VanDerWaalsContact C-N 3.3Å; S245-E247 PolarHBondContact O-N 3.22Å; S245-K248 PolarHBondContact O-N 2.82Å; S245-Q249 PolarHBondContact O-N 2.9Å
246	R	35.9	Very low	33.7	Very low	187 Å²	187	110.5 Å²	110.5	71%	0.706	55%	0.548	S	S	*	.	H	α-helix	trans	-65.8	-33.9	176.5	-166.4	175.9	-173.9	172.8	3.6	112	N243 L250	N243-R246 CarbonylContact O-C 3.57Å; N243-R246 PolarHBondContact O-N 2.64Å; N243-R246 VanDerWaalsContact O-N 3.1Å; R246-L250 WeakPolarHBondContact O-CG 3.35Å; R246-L250 PolarHBondContact O-N 2.93Å
247	E	34.5	Very low	34	Very low	99 Å²	99	112.3 Å²	112.3	46%	0.463	55%	0.554	S	S	.	*	H	α-helix	trans	-79.7	-30.2	174.4	-71.8	178.2	117.2	0	0	112.3	N243 S245 Q249 L250 N251	N243-E247 VanDerWaalsContact O-CB 3.25Å; N243-E247 WeakPolarHBondContact O-CB 3.43Å; N243-E247 WeakPolarHBondContact O-CG 3.49Å; N243-E247 PolarHBondContact O-N 3.34Å; S245-E247 VanDerWaalsContact C-N 3.3Å; S245-E247 PolarHBondContact O-N 3.22Å; E247-Q249 VanDerWaalsContact C-N 3.32Å; E247-L250 CarbonylContact O-C 3.54Å; E247-L250 PolarHBondContact O-N 2.7Å; E247-N251 VanDerWaalsContact O-CB 3.25Å; E247-N251 WeakPolarHBondContact O-CB 3.42Å; E247-N251 PolarHBondContact O-N 2.89Å; E247-N251 PolarHBondContact O-ND2 2.99Å
248	K	34.9	Very low	33.9	Very low	99 Å²	99	113.2 Å²	113.2	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-40	169.5	-83.8	173	179	-175	0	110.4	S244 S245 L250 N251 L252	S244-K248 WeakPolarHBondContact O-CB 3.45Å; S244-K248 WeakPolarHBondContact O-CG 3.45Å; S244-K248 PolarHBondContact O-N 3.42Å; S245-K248 PolarHBondContact O-N 2.82Å; K248-L250 PolarHBondContact O-N 3.19Å; K248-N251 PolarHBondContact O-N 3.39Å; K248-L252 WeakPolarHBondContact O-CB 3.01Å; K248-L252 PolarHBondContact O-N 3.17Å
249	Q	41.1	Very low	33.9	Very low	148 Å²	148	121.4 Å²	121.4	69%	0.692	57%	0.574	S	S	*	*	H	α-helix	trans	-63.4	-18.7	173.9	-159.6	176.2	19.1	0	0	113.8	S245 E247	S245-Q249 PolarHBondContact O-N 2.9Å; E247-Q249 VanDerWaalsContact C-N 3.32Å
250	L	32.9	Very low	33.7	Very low	114 Å²	114	118.1 Å²	118.1	60%	0.597	58%	0.577	S	S	*	*	H	α-helix	trans	-101.6	-40.5	175.5	-67.3	170.3	0	0	0	113	R246 E247 K248 L252 K253	R246-L250 WeakPolarHBondContact O-CG 3.35Å; R246-L250 PolarHBondContact O-N 2.93Å; E247-L250 CarbonylContact O-C 3.54Å; E247-L250 PolarHBondContact O-N 2.7Å; K248-L250 PolarHBondContact O-N 3.19Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 3.17Å; L250-K253 WeakPolarHBondContact O-CB 3.29Å; L250-K253 PolarHBondContact O-N 2.88Å
251	N	28.7	Very low	33.5	Very low	82 Å²	82	116 Å²	116	44%	0.439	59%	0.585	S	S	.	*	H	α-helix	trans	-70.7	-25.6	179.1	-81.1	-84.9	0	0	0	112.5	E247 K248 K253 Q254 A255	E247-N251 VanDerWaalsContact O-CB 3.25Å; E247-N251 WeakPolarHBondContact O-CB 3.42Å; E247-N251 PolarHBondContact O-N 2.89Å; E247-N251 PolarHBondContact O-ND2 2.99Å; K248-N251 PolarHBondContact O-N 3.39Å; N251-K253 PolarHBondContact O-N 2.85Å; N251-Q254 CarbonylContact O-C 3.47Å; N251-Q254 WeakPolarHBondContact O-CA 3.43Å; N251-Q254 PolarHBondContact O-N 2.76Å; N251-A255 WeakPolarHBondContact O-CB 3.5Å; N251-A255 PolarHBondContact O-N 2.72Å
252	L	34.6	Very low	32.8	Very low	128 Å²	128	116.1 Å²	116.1	67%	0.67	61%	0.608	S	S	*	*	H	α-helix	trans	-61.5	-32.1	173.6	-152.5	72.9	0	0	0	111.3	K248 L250 Q254	K248-L252 WeakPolarHBondContact O-CB 3.01Å; K248-L252 PolarHBondContact O-N 3.17Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 3.17Å; L252-Q254 VanDerWaalsContact C-N 3.25Å; L252-Q254 PolarHBondContact O-N 3.07Å
253	K	37.4	Very low	32.3	Very low	130 Å²	130	118.9 Å²	118.9	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-73.5	-9.2	170.9	-66.2	-171.2	172.8	-172.9	0	114.7	L250 N251	L250-K253 WeakPolarHBondContact O-CB 3.29Å; L250-K253 PolarHBondContact O-N 2.88Å; N251-K253 PolarHBondContact O-N 2.85Å
254	Q	32.1	Very low	32.2	Very low	116 Å²	116	121.9 Å²	121.9	54%	0.542	64%	0.644	S	S	.	*	H	α-helix	trans	-119.5	-15	-172.8	-153.1	165.1	44.2	0	0	113	N251 L252 N258	N251-Q254 CarbonylContact O-C 3.47Å; N251-Q254 WeakPolarHBondContact O-CA 3.43Å; N251-Q254 PolarHBondContact O-N 2.76Å; L252-Q254 VanDerWaalsContact C-N 3.25Å; L252-Q254 PolarHBondContact O-N 3.07Å; Q254-N258 PolarHBondContact O-ND2 3.28Å
255	A	29.9	Very low	32.2	Very low	64 Å²	64	125.3 Å²	125.3	53%	0.529	67%	0.665	S	S	.	*	H	α-helix	trans	-80.8	-32.4	175.2	0	0	0	0	0	112.8	N251 E257 N258	N251-A255 WeakPolarHBondContact O-CB 3.5Å; N251-A255 PolarHBondContact O-N 2.72Å; A255-E257 VanDerWaalsContact C-N 3.34Å; A255-N258 PolarHBondContact O-N 3.27Å
256	E	35	Very low	31.7	Very low	141 Å²	141	130.4 Å²	130.4	66%	0.659	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-70.7	-28.6	177.5	-65.2	-175.4	152.9	0	0	112.5	N258	E256-N258 PolarHBondContact O-N 3.48Å; E256-N258 VanDerWaalsContact O-N 3.14Å
257	E	34.4	Very low	31.1	Very low	131 Å²	131	130 Å²	130	61%	0.612	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-67.9	-8.8	177	-61.4	-172.6	126.8	0	0	114.3	A255	A255-E257 VanDerWaalsContact C-N 3.34Å
258	N	30.9	Very low	30.6	Very low	128 Å²	128	130.9 Å²	130.9	68%	0.684	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-115.4	20.5	-166.1	-79.7	-76.3	0	0	0	115.2	Q254 A255 E256	Q254-N258 PolarHBondContact O-ND2 3.28Å; A255-N258 PolarHBondContact O-N 3.27Å; E256-N258 PolarHBondContact O-N 3.48Å; E256-N258 VanDerWaalsContact O-N 3.14Å
259	R	30.5	Very low	30.1	Very low	221 Å²	221	132.2 Å²	132.2	83%	0.834	73%	0.731	S	S	*	*	S	Bend	trans	-126.9	150.4	168.8	-79.5	-173.1	169.2	176.9	-3	113.1
260	T	29.5	Very low	29.4	Very low	147 Å²	147	130.3 Å²	130.3	90%	0.902	73%	0.734	S	S	*	*			trans	55.8	59.7	170.7	41.4	0	0	0	0	117.3
261	S	26.8	Very low	28.9	Very low	132 Å²	132	132.8 Å²	132.8	92%	0.923	74%	0.74	S	S	*	*			trans	-80	120.7	140	-72.4	0	0	0	0	109.4
262	G	26.4	Very low	28.9	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	76%	0.76	S	S	*	*			trans	142.3	81.2	159.7	0	0	0	0	0	118.8
263	V	27.4	Very low	28.3	Very low	147 Å²	147	136.1 Å²	136.1	89%	0.891	76%	0.758	S	S	*	*			trans	-135.8	148.6	140.9	-177.3	0	0	0	0	107.4
264	L	28.9	Very low	27.8	Very low	163 Å²	163	135.2 Å²	135.2	85%	0.853	77%	0.768	S	S	*	*			trans	-102.3	160.1	-177.9	-83.3	171.5	0	0	0	112.3
265	P	30.1	Very low	27.5	Very low	106 Å²	106	141 Å²	141	69%	0.688	79%	0.785	S	S	*	*			trans	-89.2	163	-165.8	36.2	-37.3	0	0	0	114.2
266	L	23.2	Very low	27.3	Very low	180 Å²	180	142.8 Å²	142.8	94%	0.942	79%	0.794	S	S	*	*			trans	-112.2	143	155.7	-77.7	169.7	0	0	0	109.6
267	Q	23.6	Very low	26.7	Very low	178 Å²	178	140.7 Å²	140.7	83%	0.832	80%	0.795	S	S	*	*			trans	-104.5	147.3	-178.7	-74.2	-167.5	-33.4	0	0	112.6
268	S	24.6	Very low	26.4	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	80%	0.801	S	S	*	*			trans	19.9	123.1	142.8	-50.2	0	0	0	0	119.8
269	S	24.1	Very low	26.3	Very low	127 Å²	127	143.2 Å²	143.2	89%	0.888	81%	0.811	S	S	*	*			trans	-137.8	161.9	138.4	65.8	0	0	0	0	110.1
270	S	26.4	Very low	26	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	81%	0.807	S	S	*	*			trans	-126.5	-171.7	-176.7	62.1	0	0	0	0	110.7
271	F	22.9	Very low	25.9	Very low	167 Å²	167	143.7 Å²	143.7	73%	0.732	81%	0.805	S	S	*	*			trans	100.4	130.7	156.4	-122.3	-124.5	0	0	0	119.1
272	Y	28.2	Very low	25.9	Very low	217 Å²	217	142 Å²	142	85%	0.851	79%	0.793	S	S	*	*			trans	55	149.6	178.8	-67.2	-67.7	0	0	0	118
273	G	22.7	Very low	25.9	Very low	62 Å²	62	145.6 Å²	145.6	64%	0.639	80%	0.8	S	S	*	*			cis	152.7	110.7	-9	0	0	0	0	0	114.8
274	S	26	Very low	25.8	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	79%	0.789	S	S	*	*			trans	74.6	137	156.1	-61.9	0	0	0	0	122.2
275	R	26.2	Very low	25.6	Very low	237 Å²	237	139.5 Å²	139.5	89%	0.894	79%	0.788	S	S	*	*			trans	73	148.8	150.3	-68.6	164	-172	-126.7	0.6	117.8
276	S	25.8	Very low	25.5	Very low	102 Å²	102	138.7 Å²	138.7	71%	0.713	79%	0.785	S	S	*	*			cis	-172.2	153.7	-13.6	49.6	0	0	0	0	113.6
277	S	23.1	Very low	25.7	Very low	98 Å²	98	136 Å²	136	69%	0.685	78%	0.776	S	S	*	*			trans	69	111.1	142	173.7	0	0	0	0	121.9
278	S	28	Very low	26.2	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	77%	0.774	S	S	*	*				58.9	121.9	127.2	-32.2	0	0	0	0	121.9
279	K	28.1	Very low	26.2	Very low	208 Å²	208	134.9 Å²	134.9	90%	0.904	77%	0.765	S	S	*	*				-179.7	159.3	99.4	-103.1	-177.9	175.6	-178.3	0	114.7
280	E	25	Very low	26.5	Very low	162 Å²	162	139.5 Å²	139.5	76%	0.757	76%	0.764	S	S	*	*			trans	-88.6	152.3	166.8	-51	160.6	134	0	0	110.6
281	Y	26	Very low	26.5	Very low	216 Å²	216	139.6 Å²	139.6	85%	0.847	76%	0.764	S	S	*	*				-178.7	175.6	113.1	-116.8	-99.8	0	0	0	113.2
282	S	26.7	Very low	26.8	Very low	96 Å²	96	139 Å²	139	67%	0.671	77%	0.768	S	S	*	*			trans	-108.5	-168.9	-165.4	-42.8	0	0	0	0	115.6
283	T	26	Very low	26.9	Very low	150 Å²	150	135.2 Å²	135.2	92%	0.92	77%	0.768	S	S	*	*			trans	84.9	148.6	171.9	74.4	0	0	0	0	116.4
284	G	25.2	Very low	27.1	Very low	65 Å²	65	137.9 Å²	137.9	67%	0.67	78%	0.776	S	S	*	*			cis	-133.7	172.7	-0.7	0	0	0	0	0	112.7
285	S	25.4	Very low	27.1	Very low	118 Å²	118	138.1 Å²	138.1	83%	0.825	78%	0.778	S	S	*	*				71.2	130.4	76.4	-152.6	0	0	0	0	113
286	S	28.3	Very low	27.4	Very low	89 Å²	89	135.7 Å²	135.7	62%	0.622	78%	0.777	S	S	*	*			cis	-177.2	171.7	0.5	37	0	0	0	0	112.3
287	T	28.2	Very low	28.1	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	78%	0.778	S	S	*	*			trans	63.8	144.2	157.9	48.9	0	0	0	0	118.7
288	L	32.7	Very low	29.2	Very low	149 Å²	149	137.9 Å²	137.9	78%	0.78	79%	0.785	S	S	*	*			cis	-154.5	175.2	-4.6	-99.6	159.1	0	0	0	106.6
289	D	26.1	Very low	29.4	Very low	122 Å²	122	137.1 Å²	137.1	65%	0.652	78%	0.779	S	S	*	*			cis	-154.2	175.9	19.4	-154.4	-14.4	0	0	0	112.1
290	R	29.1	Very low	29.7	Very low	225 Å²	225	131.1 Å²	131.1	85%	0.849	77%	0.768	S	S	*	*			trans	-1.3	150.6	161.3	-96.1	166.5	155.7	148.2	-8.8	121.5
291	S	27.4	Very low	30.1	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	77%	0.766	S	S	*	*			cis	-156	169.3	22.6	50.3	0	0	0	0	115.5
292	N	28.7	Very low	30.4	Very low	154 Å²	154	132.5 Å²	132.5	82%	0.824	77%	0.769	S	S	*	*			trans	-81	177.3	-177.5	-60.4	-28	0	0	0	112.5
293	V	29.1	Very low	30.5	Very low	138 Å²	138	132.4 Å²	132.4	84%	0.836	77%	0.769	S	S	*	*			cis	-160.2	141	37.3	177.6	0	0	0	0	112.5
294	S	26.9	Very low	30.5	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	77%	0.767	S	S	*	*			trans	-162.1	161.8	138.3	-159.7	0	0	0	0	111.3
295	S	27.7	Very low	30.5	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	77%	0.771	S	S	*	*			trans	-105.7	161.5	-160.7	50.2	0	0	0	0	116.4
296	Q	31.8	Very low	30.6	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	77%	0.77	S	S	*	*			trans	-116.4	176	-173.7	-80.7	-166.8	3.3	0	0	115.2
297	T	41.4	Very low	30.5	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.724	78%	0.778	S	S	*	*			trans	-62	-179.5	172.6	60.7	0	0	0	0	116.1
298	P	45.8	Very low	30.3	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	78%	0.783	S	S	*	*				-133	173.6	123	11.6	10.9	0	0	0	111.6
299	S	30.9	Very low	30	Very low	88 Å²	88	141.4 Å²	141.4	62%	0.615	79%	0.787	S	S	*	*			cis	-159.6	-146.4	-22.5	-158.3	0	0	0	0	105.2	K301	S299-K301 VanDerWaalsContact OG-CE 3.24Å; S299-K301 WeakPolarHBondContact OG-CE 3.32Å; S299-K301 PolarHBondContact OG-NZ 2.93Å; S299-K301 VanDerWaalsContact OG-NZ 3.1Å
300	A	34.4	Very low	30.5	Very low	82 Å²	82	140.6 Å²	140.6	68%	0.678	79%	0.788	S	S	*	*			cis	-169.3	174.4	-7.4	0	0	0	0	0	108.1
301	K	33.3	Very low	30.4	Very low	165 Å²	165	134.1 Å²	134.1	72%	0.717	78%	0.783	S	S	*	*			cis	-172.5	124.8	-39.3	-93.8	153.4	-170.6	155.5	0	109.8	S299	S299-K301 VanDerWaalsContact OG-CE 3.24Å; S299-K301 WeakPolarHBondContact OG-CE 3.32Å; S299-K301 PolarHBondContact OG-NZ 2.93Å; S299-K301 VanDerWaalsContact OG-NZ 3.1Å
302	R	33.2	Very low	30.6	Very low	241 Å²	241	134.7 Å²	134.7	91%	0.909	78%	0.784	S	S	*	*			trans	68.8	161.3	150.7	-70.7	179.4	176.4	170.9	-2.7	119.4
303	S	28.4	Very low	30.7	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	79%	0.788	S	S	*	*			cis	-174.9	143.4	-16.7	50.2	0	0	0	0	115.7
304	L	26.6	Very low	30.6	Very low	169 Å²	169	134.8 Å²	134.8	89%	0.885	79%	0.788	S	S	*	*			trans	62.9	169.1	159.6	-62.8	169.8	0	0	0	118.2
305	G	25.1	Very low	30.8	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	79%	0.789	S	S	*	*			cis	-167.8	-169.4	-1	0	0	0	0	0	110.1
306	F	27.6	Very low	30.8	Very low	184 Å²	184	139.7 Å²	139.7	81%	0.807	79%	0.791	S	S	*	*			cis	-146.5	-105.8	-1.7	-142.9	-75.7	0	0	0	114.2
307	L	25.6	Very low	30.7	Very low	152 Å²	152	140.6 Å²	140.6	80%	0.796	79%	0.792	S	S	*	*			trans	-151.3	146.7	-169.3	-75.3	174.7	0	0	0	119.2
308	S	23.8	Very low	29.9	Very low	123 Å²	123	143.7 Å²	143.7	86%	0.86	80%	0.801	S	S	*	*			trans	-170.2	161.7	142	-78.8	0	0	0	0	111.3
309	Q	26.7	Very low	28.9	Very low	185 Å²	185	148.6 Å²	148.6	86%	0.864	80%	0.803	S	S	*	*			trans	-153.6	175.1	-175.3	-108.6	-163.8	12	0	0	110.8
310	P	37.6	Very low	28.6	Very low	105 Å²	105	149.7 Å²	149.7	68%	0.682	81%	0.81	S	S	*	*			cis	-139.4	171.8	20.3	43.6	-25.7	0	0	0	118.8
311	A	26.9	Very low	28.2	Very low	89 Å²	89	153.2 Å²	153.2	74%	0.736	82%	0.818	S	S	*	*			trans	44.7	146.5	140.9	0	0	0	0	0	122.7
312	P	31.3	Very low	28.3	Very low	121 Å²	121	153 Å²	153	79%	0.786	82%	0.819	S	S	*	*			cis	-131.6	149.5	30	38.9	-22	0	0	0	119
313	L	29.5	Very low	28.2	Very low	174 Å²	174	148.9 Å²	148.9	91%	0.911	82%	0.815	S	S	*	*			trans	19.8	115.2	150.5	-56.8	176.2	0	0	0	120.9
314	S	28.8	Very low	28.8	Very low	119 Å²	119	153.6 Å²	153.6	83%	0.832	82%	0.82	S	S	*	*			trans	-143.1	166.3	145.7	-171.2	0	0	0	0	110.6
315	V	30.1	Very low	29	Very low	139 Å²	139	152 Å²	152	84%	0.842	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-56	134.7	-160.7	-175.6	0	0	0	0	114.4
316	K	28	Very low	29.5	Very low	199 Å²	199	151.6 Å²	151.6	87%	0.865	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87	130.8	171.9	-85	-177.7	175.5	174.5	0	112
317	K	30.1	Very low	30.1	Very low	205 Å²	205	152.4 Å²	152.4	89%	0.891	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.2	134.4	167.1	-71.6	178.9	173.4	178.4	0	111.7
318	M	25	Very low	30.4	Very low	184 Å²	184	152.9 Å²	152.9	91%	0.906	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.9	148	155.5	-169.6	66	103.6	0	0	109.3
319	R	24.6	Very low	30.9	Very low	231 Å²	231	155.8 Å²	155.8	87%	0.872	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.8	131.1	174.7	-71.7	-175.1	175.7	-168.7	-1.2	110.3
320	S	24.8	Very low	31.1	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.4	133.2	161.4	152.4	0	0	0	0	108.9
321	N	26.3	Very low	31.5	Very low	157 Å²	157	159.6 Å²	159.6	84%	0.84	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.7	139.7	161.9	-86.5	-25.9	0	0	0	109.1
322	Q	33.8	Very low	31.8	Very low	161 Å²	161	161 Å²	161	75%	0.752	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.3	128.7	174	-63.3	173	-83	0	0	109
323	D	32.6	Very low	31.9	Very low	154 Å²	154	161 Å²	161	82%	0.824	82%	0.82	S	S	*	*	S	Bend	trans	173.9	70.1	133	-89.3	-11.8	0	0	0	111.7
324	Y	40.3	Very low	32.2	Very low	193 Å²	193	159.9 Å²	159.9	76%	0.757	81%	0.814	S	S	*	*			trans	-169.5	43.2	146.2	-126	-92.3	0	0	0	113.5	G326	Y324-G326 PolarHBondContact O-N 3.04Å
325	T	30.2	Very low	32.2	Very low	136 Å²	136	159.2 Å²	159.2	83%	0.834	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	67.3	-173.3	53.7	0	0	0	0	114.2
326	G	35.1	Very low	32.6	Very low	62 Å²	62	159.5 Å²	159.5	64%	0.639	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-19.1	176.7	0	0	0	0	0	115.9	Y324	Y324-G326 PolarHBondContact O-N 3.04Å
327	W	41.7	Very low	32.8	Very low	202 Å²	202	157 Å²	157	77%	0.765	80%	0.803	S	S	*	*	S	Bend	trans	-97.9	1.9	-157.8	-86.8	78.6	0	0	0	117.2
328	N	32.2	Very low	32.9	Very low	162 Å²	162	153.7 Å²	153.7	87%	0.866	80%	0.802	S	S	*	*			trans	-118.8	78.7	178.9	-80.8	-57	0	0	0	112.4
329	K	33.5	Very low	33.7	Very low	184 Å²	184	151.8 Å²	151.8	80%	0.8	79%	0.791	S	S	*	*			trans	-134.9	111.3	158.7	-75.4	-171.3	178.1	-179.3	0	109.4	R331	K329-R331 PolarHBondContact O-N 3.46Å
330	P	31.9	Very low	34.8	Very low	133 Å²	133	149 Å²	149	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.7	121.4	166.4	-19.2	31.8	0	0	0	108.8
331	R	44.1	Very low	36.4	Very low	237 Å²	237	152.5 Å²	152.5	89%	0.894	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-88	120.9	171	-83.7	-170.9	-88.6	-153.5	-3.5	108.6	K329	K329-R331 PolarHBondContact O-N 3.46Å
332	V	33.6	Very low	38.6	Very low	119 Å²	119	146.8 Å²	146.8	72%	0.721	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.1	130	-179.6	-174.7	0	0	0	0	109.6	L334	V332-L334 HydrophobicContact CG1-CD1 4.06Å
333	P	34.6	Very low	40.9	Very low	120 Å²	120	142 Å²	142	78%	0.779	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-69.6	134.1	171.2	-14.4	29.2	0	0	0	110.8
334	L	34.2	Very low	43.6	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	70%	0.7	S	S	*	*			trans	-131.5	150.9	165.8	-100.7	96.3	0	0	0	111.2	V332	V332-L334 HydrophobicContact CG1-CD1 4.06Å
335	S	29.9	Very low	46.2	Very low	105 Å²	105	125.5 Å²	125.5	73%	0.734	66%	0.664	S	S	*	*			trans	65.5	105.5	-176.1	69.2	0	0	0	0	116.1	H337	S335-H337 PolarHBondContact O-N 3.32Å
336	T	38.1	Very low	49.2	Very low	146 Å²	146	119.6 Å²	119.6	90%	0.896	63%	0.628	S	S	*	*			trans	-79.2	97.5	166.6	44.3	0	0	0	0	110.7
337	H	32.4	Very low	52	Low	146 Å²	146	119.4 Å²	119.4	68%	0.676	61%	0.613	S	S	*	*			trans	-118.8	147.6	152.1	-78.8	-76.4	0	0	0	108.4	S335 Q339	S335-H337 PolarHBondContact O-N 3.32Å; H337-Q339 PolarHBondContact O-N 3.49Å
338	P	32.9	Very low	54.4	Low	135 Å²	135	111 Å²	111	88%	0.877	58%	0.583	S	S	*	*			trans	-74	67.4	175.4	32.5	-35.8	0	0	0	110.9	Q340	P338-Q340 PolarHBondContact O-N 2.84Å
339	Q	42.1	Very low	57.2	Low	144 Å²	144	104.8 Å²	104.8	67%	0.673	56%	0.557	S	S	*	*			trans	-66.8	129	166.1	-64.5	-172.8	7.2	0	0	108.1	H337 Q341	H337-Q339 PolarHBondContact O-N 3.49Å; Q339-Q341 PolarHBondContact O-N 3.3Å
340	Q	47.3	Very low	60.1	Low	172 Å²	172	99 Å²	99	80%	0.804	54%	0.535	S	S	*	.			trans	-53.7	113.9	169.4	-73.4	175.7	-30.8	0	0	108.9	P338 L342	P338-Q340 PolarHBondContact O-N 2.84Å; Q340-L342 PolarHBondContact O-N 3.32Å
341	Q	57	Low	63.1	Low	185 Å²	185	92.7 Å²	92.7	86%	0.864	49%	0.494	S	S	*	.			trans	-67.3	106.5	-174.4	-170.8	173.8	8.9	0	0	109.2	Q339 Q343	Q339-Q341 PolarHBondContact O-N 3.3Å; Q341-Q343 PolarHBondContact O-N 2.76Å
342	L	74.1	Confident	65.6	Low	36 Å²	36	81.6 Å²	81.6	19%	0.188	45%	0.452	C	S	.	.			trans	-56.4	122.9	174.3	-83.7	173.4	0	0	0	109	Q340 K925 F929 V936	Q340-L342 PolarHBondContact O-N 3.32Å; L342-K925 HydrophobicContact CD1-CD 4.46Å; L342-F929 HydrophobicContact CD1-CD1 3.69Å; L342-F929 HydrophobicContact CD1-CD2 4.43Å; L342-F929 HydrophobicContact CD1-CE1 3.49Å; L342-F929 VanDerWaalsContact CD1-CE1 3.49Å; L342-F929 HydrophobicContact CD1-CE2 4.26Å; L342-F929 HydrophobicContact CD1-CG 4.16Å; L342-F929 HydrophobicContact CD1-CZ 3.8Å; L342-V936 HydrophobicContact CB-CB 3.97Å; L342-V936 HydrophobicContact CB-CG1 3.93Å; L342-V936 HydrophobicContact CB-CG2 4.28Å; L342-V936 HydrophobicContact CD1-CG1 4.27Å; L342-V936 WeakPolarHBondContact O-CG2 3.33Å
343	Q	81	Confident	68.6	Low	61 Å²	61	76 Å²	76	29%	0.285	42%	0.418	S	S	.	.			trans	-126.4	125.6	-175.4	177.7	-172.5	76.7	0	0	108.7	Q341 L934	Q341-Q343 PolarHBondContact O-N 2.76Å; Q343-L934 HydrophobicContact CG-CD2 4.49Å
344	G	90.4	Very high	71.6	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.381	C	S	.	.			trans	-80.5	-145.6	-177.4	0	0	0	0	0	113.7	D933 L934 V936	G344-D933 CarbonylContact C-O 3.59Å; G344-D933 VanDerWaalsContact CA-O 3.26Å; G344-D933 WeakPolarHBondContact CA-O 3.49Å; G344-L934 PolarHBondContact N-O 3.43Å; G344-V936 VanDerWaalsContact N-CG2 3.35Å
345	F	94.6	Very high	74.6	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	35%	0.345	C	S	.	.			trans	-116.1	130.3	-173.3	-67.5	-31.4	0	0	0	111.8	N347 N355 L358 Q359 F362 L393 K397 L409 D933 L934	F345-N347 PolarHBondContact O-N 3.1Å; F345-N355 HydrophobicContact CB-CB 4.08Å; F345-N355 PolarHBondContact O-ND2 3.42Å; F345-L358 HydrophobicContact CD2-CB 4.15Å; F345-L358 HydrophobicContact CE2-CB 3.71Å; F345-Q359 HydrophobicContact CD2-CG 3.9Å; F345-Q359 VanDerWaalsContact CD2-NE2 3.3Å; F345-Q359 VanDerWaalsContact CE2-CD 3.45Å; F345-Q359 HydrophobicContact CE2-CG 3.92Å; F345-F362 HydrophobicContact CE2-CD2 4.19Å; F345-F362 HydrophobicContact CE2-CE2 4.33Å; F345-F362 AromaticContact CZ-CD2 3.97Å; F345-F362 HydrophobicContact CZ-CD2 3.97Å; F345-F362 HydrophobicContact CZ-CE2 4.12Å; F345-L393 HydrophobicContact CE1-CD1 4Å; F345-L393 HydrophobicContact CE1-CG 4.49Å; F345-L393 HydrophobicContact CZ-CD1 4.42Å; F345-L393 HydrophobicContact CZ-CD2 4.42Å; F345-L393 HydrophobicContact CZ-CG 4.42Å; F345-K397 HydrophobicContact CE1-CB 4.21Å; F345-K397 HydrophobicContact CZ-CB 4.34Å; F345-L409 HydrophobicContact CB-CD1 3.62Å; F345-L409 HydrophobicContact CB-CD2 4.02Å; F345-L409 HydrophobicContact CB-CG 4.47Å; F345-L409 HydrophobicContact CD1-CD1 4Å; F345-L409 HydrophobicContact CD1-CD2 4.12Å; F345-L409 HydrophobicContact CD1-CG 4.43Å; F345-L409 HydrophobicContact CD2-CD2 4.11Å; F345-L409 HydrophobicContact CG-CD1 4Å; F345-L409 HydrophobicContact CG-CD2 3.83Å; F345-L409 HydrophobicContact CG-CG 4.47Å; F345-D933 PolarHBondContact N-O 2.88Å; F345-D933 CarbonylContact O-C 3.57Å; F345-D933 VanDerWaalsContact O-CA 3.29Å; F345-D933 WeakPolarHBondContact O-CA 3.21Å; F345-D933 WeakPolarHBondContact O-CB 3.45Å; F345-L934 PolarHBondContact O-N 2.84Å
346	S	93.4	Very high	77.8	Confident	11 Å²	11	58.5 Å²	58.5	8%	0.077	31%	0.311	C	S	.	.			trans	-55	130.3	175	-63.8	0	0	0	0	111.6	L348 N355	S346-L348 PolarHBondContact O-N 3.01Å; S346-N355 PolarHBondContact O-ND2 3.12Å
347	N	93.4	Very high	80.7	Confident	59 Å²	59	51.6 Å²	51.6	32%	0.316	27%	0.269	S	S	.	.			trans	-67.4	127.5	162.7	-157.3	-48.9	0	0	0	108.6	F345 G349 N350 T351 D933	F345-N347 PolarHBondContact O-N 3.1Å; N347-G349 VanDerWaalsContact C-N 3.35Å; N347-G349 WeakPolarHBondContact OD1-CA 3.44Å; N347-G349 PolarHBondContact OD1-N 3.36Å; N347-N350 PolarHBondContact OD1-N 3.1Å; N347-T351 PolarHBondContact OD1-N 3.44Å; N347-D933 HydrophobicContact CB-CB 4.4Å; N347-D933 WeakPolarHBondContact CB-OD2 3.32Å; N347-D933 PolarHBondContact ND2-OD2 3.06Å
348	L	92.7	Very high	83.8	Confident	25 Å²	25	44.6 Å²	44.6	13%	0.131	24%	0.236	C	C	.	.			trans	-97.7	14.1	178.7	-54.1	179.4	0	0	0	112.2	S346 T351 M354 K406 L409 K410 Y426	S346-L348 PolarHBondContact O-N 3.01Å; L348-T351 HydrophobicContact CB-CG2 3.81Å; L348-T351 PolarHBondContact N-OG1 3.4Å; L348-M354 HydrophobicContact CD1-CE 4.14Å; L348-K406 HydrophobicContact CD2-CG 3.58Å; L348-L409 HydrophobicContact CD1-CB 3.9Å; L348-K410 HydrophobicContact CD1-CB 4.45Å; L348-K410 HydrophobicContact CD1-CG 3.88Å; L348-K410 HydrophobicContact CD2-CG 4.31Å; L348-Y426 WeakPolarHBondContact O-CD1 3.49Å; L348-Y426 WeakPolarHBondContact O-CE1 3.48Å
349	G	90.3	Very high	86.8	Confident	31 Å²	31	38.8 Å²	38.8	32%	0.32	20%	0.198	S	C	.	.	S	Bend	trans	101.7	96.9	-171.5	0	0	0	0	0	110.6	N347 T351	N347-G349 VanDerWaalsContact C-N 3.35Å; N347-G349 WeakPolarHBondContact OD1-CA 3.44Å; N347-G349 PolarHBondContact OD1-N 3.36Å; G349-T351 WeakPolarHBondContact O-CG2 3.41Å; G349-T351 PolarHBondContact O-N 2.97Å
350	N	93.4	Very high	89.5	Confident	63 Å²	63	32 Å²	32	34%	0.337	17%	0.165	S	C	.	.	S	Bend	trans	57.2	22.5	-175.5	-73	-51.3	0	0	0	115.4	N347 C352 Y353 Y426 Q428	N347-N350 PolarHBondContact OD1-N 3.1Å; N350-C352 PolarHBondContact O-N 3.07Å; N350-Y353 WeakPolarHBondContact O-CD1 3.35Å; N350-Y353 WeakPolarHBondContact O-CE1 3.49Å; N350-Y426 WeakPolarHBondContact CB-O 3.28Å; N350-Y426 PolarHBondContact ND2-O 3.46Å; N350-Q428 HydrophobicContact CB-CG 3.91Å; N350-Q428 WeakPolarHBondContact OD1-CG 3.17Å; N350-Q428 PolarHBondContact OD1-NE2 3.42Å
351	T	96.2	Very high	91.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	17.6	-176.8	68.9	0	0	0	0	114.8	N347 L348 G349 Y353 M354 N355 K413	N347-T351 PolarHBondContact OD1-N 3.44Å; L348-T351 HydrophobicContact CB-CG2 3.81Å; L348-T351 PolarHBondContact N-OG1 3.4Å; G349-T351 WeakPolarHBondContact O-CG2 3.41Å; G349-T351 PolarHBondContact O-N 2.97Å; T351-Y353 PolarHBondContact O-N 2.84Å; T351-M354 WeakPolarHBondContact O-CB 3.36Å; T351-M354 PolarHBondContact O-N 2.93Å; T351-M354 VanDerWaalsContact O-N 3.07Å; T351-N355 PolarHBondContact O-N 3.33Å; T351-K413 HydrophobicContact CG2-CD 4.42Å
352	C	96.1	Very high	93.7	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.02	9%	0.088	C	C	.	.	H	α-helix	trans	-60.7	-32	178.1	52.5	0	0	0	0	112.8	N350 M354 N355 A356 H915 Y916	N350-C352 PolarHBondContact O-N 3.07Å; C352-M354 VanDerWaalsContact C-N 3.32Å; C352-M354 PolarHBondContact O-N 3.03Å; C352-N355 PolarHBondContact O-N 3Å; C352-A356 WeakPolarHBondContact O-CB 3.41Å; C352-A356 PolarHBondContact O-N 3.04Å; C352-H915 WeakPolarHBondContact CB-CE1 3.47Å; C352-H915 VanDerWaalsContact CB-ND1 3.25Å; C352-H915 WeakPolarHBondContact CB-ND1 3.14Å; C352-H915 PolarHBondContact SG-ND1 2.88Å; C352-Y916 PolarHBondContact SG-N 3.27Å
353	Y	96.8	Very high	94.7	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-57.6	-43.4	172.2	69.6	-91.3	0	0	0	111.8	N350 T351 I357 F423 N429 F434	N350-Y353 WeakPolarHBondContact O-CD1 3.35Å; N350-Y353 WeakPolarHBondContact O-CE1 3.49Å; T351-Y353 PolarHBondContact O-N 2.84Å; Y353-I357 VanDerWaalsContact O-CG1 3.32Å; Y353-I357 WeakPolarHBondContact O-CG1 3.25Å; Y353-I357 PolarHBondContact O-N 2.79Å; Y353-F423 AromaticContact CE2-CD1 3.76Å; Y353-F423 HydrophobicContact CE2-CD1 3.76Å; Y353-F423 HydrophobicContact CE2-CE1 4.04Å; Y353-N429 HydrophobicContact CD1-CB 4.08Å; Y353-N429 HydrophobicContact CD2-CB 4.21Å; Y353-N429 HydrophobicContact CE1-CB 3.85Å; Y353-N429 HydrophobicContact CE2-CB 4.01Å; Y353-N429 HydrophobicContact CG-CB 4.27Å; Y353-F434 HydrophobicContact CD2-CB 3.71Å; Y353-F434 HydrophobicContact CD2-CD1 4.3Å; Y353-F434 HydrophobicContact CD2-CD2 4.14Å; Y353-F434 AromaticContact CD2-CG 3.79Å; Y353-F434 HydrophobicContact CD2-CG 3.79Å; Y353-F434 HydrophobicContact CE2-CB 3.95Å; Y353-F434 AromaticContact CE2-CD2 3.62Å; Y353-F434 HydrophobicContact CE2-CD2 3.62Å; Y353-F434 HydrophobicContact CE2-CE2 4.24Å; Y353-F434 AromaticContact CE2-CG 3.77Å; Y353-F434 HydrophobicContact CE2-CG 3.77Å
354	M	97.5	Very high	95.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.9	-47.2	175.2	168.1	179	87.3	0	0	110.6	L348 T351 C352 A356 I357 L358 L409 V412 K413 F434	L348-M354 HydrophobicContact CD1-CE 4.14Å; T351-M354 WeakPolarHBondContact O-CB 3.36Å; T351-M354 PolarHBondContact O-N 2.93Å; T351-M354 VanDerWaalsContact O-N 3.07Å; C352-M354 VanDerWaalsContact C-N 3.32Å; C352-M354 PolarHBondContact O-N 3.03Å; M354-A356 PolarHBondContact O-N 2.77Å; M354-I357 PolarHBondContact O-N 3.47Å; M354-L358 HydrophobicContact CG-CD1 3.57Å; M354-L358 HydrophobicContact CG-CG 4.14Å; M354-L358 WeakPolarHBondContact O-CB 3.2Å; M354-L358 VanDerWaalsContact O-CG 3.27Å; M354-L358 WeakPolarHBondContact O-CG 3.32Å; M354-L358 PolarHBondContact O-N 2.81Å; M354-L358 HydrophobicContact SD-CD1 4.27Å; M354-L409 HydrophobicContact CE-CB 4.19Å; M354-L409 HydrophobicContact CE-CD2 4.09Å; M354-V412 HydrophobicContact SD-CG1 4.32Å; M354-K413 HydrophobicContact CE-CB 4.46Å; M354-K413 HydrophobicContact SD-CB 4.09Å; M354-F434 HydrophobicContact CB-CD1 4.31Å; M354-F434 HydrophobicContact CB-CE1 3.79Å; M354-F434 HydrophobicContact CB-CE2 4.22Å; M354-F434 HydrophobicContact CB-CZ 3.75Å; M354-F434 HydrophobicContact CG-CE1 3.73Å; M354-F434 HydrophobicContact CG-CE2 4.24Å; M354-F434 HydrophobicContact CG-CZ 3.45Å; M354-F434 VanDerWaalsContact CG-CZ 3.45Å; M354-F434 HydrophobicContact SD-CZ 4.07Å
355	N	97.2	Very high	95.5	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-61.6	-44.2	-176.1	-68.9	-14.2	0	0	0	111.6	F345 S346 T351 C352 L358 Q359 D933	F345-N355 HydrophobicContact CB-CB 4.08Å; F345-N355 PolarHBondContact O-ND2 3.42Å; S346-N355 PolarHBondContact O-ND2 3.12Å; T351-N355 PolarHBondContact O-N 3.33Å; C352-N355 PolarHBondContact O-N 3Å; N355-L358 PolarHBondContact O-N 2.87Å; N355-Q359 WeakPolarHBondContact O-CG 3.28Å; N355-Q359 PolarHBondContact O-N 2.87Å; N355-D933 PolarHBondContact ND2-OD1 3.06Å
356	A	97.9	Very high	95.4	Very high	4 Å²	4	13.3 Å²	13.3	3%	0.033	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-44.4	177.6	0	0	0	0	0	112.7	C352 M354 Q359 S360 V904 S918	C352-A356 WeakPolarHBondContact O-CB 3.41Å; C352-A356 PolarHBondContact O-N 3.04Å; M354-A356 PolarHBondContact O-N 2.77Å; A356-Q359 PolarHBondContact O-N 2.86Å; A356-S360 PolarHBondContact O-N 2.9Å; A356-S360 VanDerWaalsContact O-N 3.11Å; A356-S360 PolarHBondContact O-OG 3.32Å; A356-V904 HydrophobicContact CB-CG1 3.85Å; A356-V904 HydrophobicContact CB-CG2 4.23Å; A356-S918 WeakPolarHBondContact O-CB 3.36Å; A356-S918 PolarHBondContact O-OG 2.87Å
357	I	98.4	Very high	95.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.2	-42.9	175.9	-70.5	-60.2	0	0	0	112	Y353 M354 S360 L361 A431 F434 L435 V904 I954	Y353-I357 VanDerWaalsContact O-CG1 3.32Å; Y353-I357 WeakPolarHBondContact O-CG1 3.25Å; Y353-I357 PolarHBondContact O-N 2.79Å; M354-I357 PolarHBondContact O-N 3.47Å; I357-S360 PolarHBondContact O-N 2.93Å; I357-L361 HydrophobicContact CG2-CD1 3.84Å; I357-L361 HydrophobicContact CG2-CG 4.33Å; I357-L361 WeakPolarHBondContact O-CG 3.5Å; I357-L361 PolarHBondContact O-N 3.05Å; I357-A431 HydrophobicContact CD1-CB 4.24Å; I357-A431 WeakPolarHBondContact CD1-O 3.46Å; I357-A431 HydrophobicContact CG1-CB 4.07Å; I357-A431 WeakPolarHBondContact CG1-O 3.3Å; I357-F434 HydrophobicContact CB-CD1 4.01Å; I357-F434 HydrophobicContact CB-CE1 4.29Å; I357-F434 HydrophobicContact CG1-CD1 4.21Å; I357-F434 HydrophobicContact CG2-CD1 3.94Å; I357-F434 HydrophobicContact CG2-CE1 4.09Å; I357-L435 HydrophobicContact CD1-CB 3.82Å; I357-L435 HydrophobicContact CD1-CD2 4.15Å; I357-L435 HydrophobicContact CD1-CG 4.38Å; I357-L435 HydrophobicContact CG1-CB 4.29Å; I357-L435 HydrophobicContact CG2-CB 4.21Å; I357-L435 HydrophobicContact CG2-CD1 3.99Å; I357-V904 HydrophobicContact CD1-CG2 4.28Å; I357-I954 HydrophobicContact CD1-CD1 3.84Å
358	L	97.7	Very high	95.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-42.1	179.4	-70.3	174.1	0	0	0	111.8	F345 M354 N355 L361 F362 F390 L393 L409 V412	F345-L358 HydrophobicContact CD2-CB 4.15Å; F345-L358 HydrophobicContact CE2-CB 3.71Å; M354-L358 HydrophobicContact CG-CD1 3.57Å; M354-L358 HydrophobicContact CG-CG 4.14Å; M354-L358 WeakPolarHBondContact O-CB 3.2Å; M354-L358 VanDerWaalsContact O-CG 3.27Å; M354-L358 WeakPolarHBondContact O-CG 3.32Å; M354-L358 PolarHBondContact O-N 2.81Å; M354-L358 HydrophobicContact SD-CD1 4.27Å; N355-L358 PolarHBondContact O-N 2.87Å; L358-L361 PolarHBondContact O-N 2.85Å; L358-F362 HydrophobicContact CB-CD2 4.29Å; L358-F362 HydrophobicContact CB-CE2 4.03Å; L358-F362 HydrophobicContact CD2-CE2 4.05Å; L358-F362 HydrophobicContact CD2-CZ 3.85Å; L358-F362 VanDerWaalsContact O-CB 3.27Å; L358-F362 WeakPolarHBondContact O-CB 3.42Å; L358-F362 VanDerWaalsContact O-CD2 3.22Å; L358-F362 WeakPolarHBondContact O-CD2 3.26Å; L358-F362 WeakPolarHBondContact O-CG 3.39Å; L358-F362 PolarHBondContact O-N 2.84Å; L358-F390 HydrophobicContact CD2-CD1 4.46Å; L358-F390 HydrophobicContact CD2-CE1 3.68Å; L358-F390 HydrophobicContact CD2-CE2 4.05Å; L358-F390 HydrophobicContact CD2-CZ 3.45Å; L358-F390 VanDerWaalsContact CD2-CZ 3.45Å; L358-L393 HydrophobicContact CD1-CD2 4.04Å; L358-L409 HydrophobicContact CD1-CD2 3.79Å; L358-V412 HydrophobicContact CD1-CG1 4.26Å; L358-V412 HydrophobicContact CD2-CG1 4.44Å
359	Q	96.1	Very high	95.4	Very high	13 Å²	13	10.8 Å²	10.8	6%	0.061	7%	0.068	C	C	.	.	H	α-helix	trans	-62.8	-42.1	175.2	-64.2	-66.5	10	0	0	111.7	F345 N355 A356 S363 Y931	F345-Q359 HydrophobicContact CD2-CG 3.9Å; F345-Q359 VanDerWaalsContact CD2-NE2 3.3Å; F345-Q359 VanDerWaalsContact CE2-CD 3.45Å; F345-Q359 HydrophobicContact CE2-CG 3.92Å; N355-Q359 WeakPolarHBondContact O-CG 3.28Å; N355-Q359 PolarHBondContact O-N 2.87Å; A356-Q359 PolarHBondContact O-N 2.86Å; Q359-S363 PolarHBondContact O-N 2.86Å; Q359-S363 VanDerWaalsContact O-N 3.17Å; Q359-Y931 HydrophobicContact CB-CD2 4.43Å; Q359-Y931 HydrophobicContact CB-CG 4.22Å; Q359-Y931 VanDerWaalsContact CD-CD1 3.45Å; Q359-Y931 HydrophobicContact CG-CD1 3.87Å; Q359-Y931 HydrophobicContact CG-CG 3.89Å
360	S	97.8	Very high	95.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.7	-50.8	175.4	-66.6	0	0	0	0	112.2	A356 I357 F362 S363 S902 V904 S918 F956	A356-S360 PolarHBondContact O-N 2.9Å; A356-S360 VanDerWaalsContact O-N 3.11Å; A356-S360 PolarHBondContact O-OG 3.32Å; I357-S360 PolarHBondContact O-N 2.93Å; S360-F362 PolarHBondContact O-N 3.49Å; S360-S363 PolarHBondContact O-N 3.1Å; S360-S363 PolarHBondContact O-OG 2.97Å; S360-S902 PolarHBondContact OG-OG 3.15Å; S360-V904 WeakPolarHBondContact OG-CG2 3.34Å; S360-S918 PolarHBondContact OG-OG 2.92Å; S360-F956 VanDerWaalsContact CB-CE2 3.47Å
361	L	97.5	Very high	95.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.5	-39.3	-178.2	-71.8	175.5	0	0	0	112.8	I357 L358 S363 I364 F367 F390 L435 L439 L486 F956	I357-L361 HydrophobicContact CG2-CD1 3.84Å; I357-L361 HydrophobicContact CG2-CG 4.33Å; I357-L361 WeakPolarHBondContact O-CG 3.5Å; I357-L361 PolarHBondContact O-N 3.05Å; L358-L361 PolarHBondContact O-N 2.85Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 2.97Å; L361-I364 HydrophobicContact CD2-CD1 4.45Å; L361-I364 PolarHBondContact O-N 2.79Å; L361-F367 HydrophobicContact CB-CE1 4.29Å; L361-F367 WeakPolarHBondContact O-CD1 3.45Å; L361-F390 HydrophobicContact CD1-CE2 4.17Å; L361-L435 HydrophobicContact CD1-CD1 3.92Å; L361-L435 HydrophobicContact CD2-CD1 4.02Å; L361-L435 HydrophobicContact CG-CD1 4.21Å; L361-L439 HydrophobicContact CD1-CD2 4.46Å; L361-L439 HydrophobicContact CD2-CD2 4.26Å; L361-L486 HydrophobicContact CD2-CD1 4.23Å; L361-F956 HydrophobicContact CD2-CE1 4.07Å
362	F	95.5	Very high	95.2	Very high	8 Å²	8	7.5 Å²	7.5	4%	0.035	4%	0.043	C	C	.	.	H	α-helix	trans	-76	-11.4	179.2	-63.6	-24.7	0	0	0	114	F345 L358 S360 F390 L393 L394 K397	F345-F362 HydrophobicContact CE2-CD2 4.19Å; F345-F362 HydrophobicContact CE2-CE2 4.33Å; F345-F362 AromaticContact CZ-CD2 3.97Å; F345-F362 HydrophobicContact CZ-CD2 3.97Å; F345-F362 HydrophobicContact CZ-CE2 4.12Å; L358-F362 HydrophobicContact CB-CD2 4.29Å; L358-F362 HydrophobicContact CB-CE2 4.03Å; L358-F362 HydrophobicContact CD2-CE2 4.05Å; L358-F362 HydrophobicContact CD2-CZ 3.85Å; L358-F362 VanDerWaalsContact O-CB 3.27Å; L358-F362 WeakPolarHBondContact O-CB 3.42Å; L358-F362 VanDerWaalsContact O-CD2 3.22Å; L358-F362 WeakPolarHBondContact O-CD2 3.26Å; L358-F362 WeakPolarHBondContact O-CG 3.39Å; L358-F362 PolarHBondContact O-N 2.84Å; S360-F362 PolarHBondContact O-N 3.49Å; F362-F390 HydrophobicContact CE1-CB 4.4Å; F362-F390 AromaticContact CE1-CD2 3.77Å; F362-F390 HydrophobicContact CE1-CD2 3.77Å; F362-F390 HydrophobicContact CE1-CE2 4.26Å; F362-F390 HydrophobicContact CE1-CG 4.17Å; F362-F390 HydrophobicContact CZ-CD2 4.22Å; F362-F390 HydrophobicContact CZ-CG 4.27Å; F362-L393 HydrophobicContact CE2-CB 4.46Å; F362-L393 HydrophobicContact CE2-CD2 3.74Å; F362-L393 HydrophobicContact CE2-CG 3.84Å; F362-L393 HydrophobicContact CZ-CB 4.48Å; F362-L393 HydrophobicContact CZ-CD2 4.16Å; F362-L393 HydrophobicContact CZ-CG 4.32Å; F362-L394 HydrophobicContact CB-CD1 3.76Å; F362-L394 HydrophobicContact CD1-CB 4.08Å; F362-L394 HydrophobicContact CD1-CD1 3.84Å; F362-L394 HydrophobicContact CD1-CD2 4.48Å; F362-L394 HydrophobicContact CD1-CG 4.34Å; F362-L394 HydrophobicContact CE1-CB 3.99Å; F362-L394 HydrophobicContact CG-CB 4.44Å; F362-L394 HydrophobicContact CG-CD1 3.8Å; F362-L394 HydrophobicContact CZ-CB 4.26Å; F362-K397 HydrophobicContact CB-CD 4.27Å; F362-K397 HydrophobicContact CD2-CD 4.49Å
363	S	93.9	Very high	94.8	Very high	26 Å²	26	11.7 Å²	11.7	18%	0.182	6%	0.061	C	C	.	.	H	α-helix	trans	-77.1	-23.9	171.5	75.9	0	0	0	0	113.4	Q359 S360 L361 Q365	Q359-S363 PolarHBondContact O-N 2.86Å; Q359-S363 VanDerWaalsContact O-N 3.17Å; S360-S363 PolarHBondContact O-N 3.1Å; S360-S363 PolarHBondContact O-OG 2.97Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 2.97Å; S363-Q365 PolarHBondContact O-N 2.7Å
364	I	95.7	Very high	94.3	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.068	C	C	.	.			trans	-71.4	91.9	179.1	-55.2	171.1	0	0	0	108.3	L361 S366 F367 A368 L486 V565 I901 F956 M958	L361-I364 HydrophobicContact CD2-CD1 4.45Å; L361-I364 PolarHBondContact O-N 2.79Å; I364-S366 PolarHBondContact O-N 2.9Å; I364-F367 HydrophobicContact CB-CB 3.89Å; I364-F367 HydrophobicContact CG2-CB 3.72Å; I364-F367 WeakPolarHBondContact O-CB 3.31Å; I364-F367 PolarHBondContact O-N 2.88Å; I364-A368 PolarHBondContact O-N 3.12Å; I364-L486 HydrophobicContact CD1-CD2 4.14Å; I364-V565 HydrophobicContact CD1-CG1 4.2Å; I364-V565 HydrophobicContact CD1-CG2 4.37Å; I364-V565 HydrophobicContact CG2-CG2 3.9Å; I364-I901 HydrophobicContact CG1-CD1 4.04Å; I364-F956 HydrophobicContact CD1-CD1 4.04Å; I364-F956 HydrophobicContact CD1-CE1 4.41Å; I364-M958 HydrophobicContact CG2-CE 4.2Å
365	Q	92.9	Very high	93.6	Very high	29 Å²	29	14.7 Å²	14.7	14%	0.136	8%	0.083	C	C	.	.	H	α-helix	trans	-50.9	-37.5	-174.9	-68.9	-170.2	-21.6	0	0	113.2	S363 A368 N369 I923 L966	S363-Q365 PolarHBondContact O-N 2.7Å; Q365-A368 PolarHBondContact O-N 2.81Å; Q365-N369 VanDerWaalsContact O-CB 3.32Å; Q365-N369 WeakPolarHBondContact O-CB 3.4Å; Q365-N369 PolarHBondContact O-N 3.38Å; Q365-N369 PolarHBondContact O-ND2 2.88Å; Q365-I923 HydrophobicContact CG-CD1 4.4Å; Q365-L966 HydrophobicContact CB-CD1 4.31Å; Q365-L966 HydrophobicContact CB-CD2 4.44Å
366	S	92.7	Very high	93	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.9	-41.4	179	55.7	0	0	0	0	112.9	I364 A368 N369 D370 N485 W613	I364-S366 PolarHBondContact O-N 2.9Å; S366-A368 VanDerWaalsContact C-N 3.34Å; S366-N369 PolarHBondContact O-N 3.46Å; S366-D370 WeakPolarHBondContact O-CB 3.36Å; S366-D370 PolarHBondContact O-N 3.34Å; S366-N485 WeakPolarHBondContact CB-OD1 3.21Å; S366-N485 PolarHBondContact OG-OD1 2.76Å; S366-W613 VanDerWaalsContact O-CH2 3.3Å; S366-W613 WeakPolarHBondContact O-CH2 3.47Å
367	F	94.8	Very high	92.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-40.4	172	175	-85.2	0	0	0	111.3	L361 I364 D370 L371 F390 L442 P481 V482 N485	L361-F367 HydrophobicContact CB-CE1 4.29Å; L361-F367 WeakPolarHBondContact O-CD1 3.45Å; I364-F367 HydrophobicContact CB-CB 3.89Å; I364-F367 HydrophobicContact CG2-CB 3.72Å; I364-F367 WeakPolarHBondContact O-CB 3.31Å; I364-F367 PolarHBondContact O-N 2.88Å; F367-D370 PolarHBondContact O-N 3.12Å; F367-L371 HydrophobicContact CD1-CD1 4.05Å; F367-L371 HydrophobicContact CE1-CD1 3.57Å; F367-L371 HydrophobicContact CZ-CD1 4.15Å; F367-L371 PolarHBondContact O-N 3Å; F367-F390 HydrophobicContact CZ-CD2 4.43Å; F367-L442 HydrophobicContact CE2-CD1 4.15Å; F367-L442 HydrophobicContact CZ-CD1 3.72Å; F367-P481 HydrophobicContact CD2-CB 3.68Å; F367-P481 HydrophobicContact CD2-CG 4.5Å; F367-P481 HydrophobicContact CE2-CB 3.91Å; F367-P481 HydrophobicContact CE2-CG 4.24Å; F367-P481 HydrophobicContact CG-CB 4.2Å; F367-V482 HydrophobicContact CE2-CG2 4.28Å; F367-N485 WeakPolarHBondContact CA-ND2 3.38Å
368	A	94	Very high	91.9	Very high	12 Å²	12	17.1 Å²	17.1	10%	0.099	10%	0.095	C	C	.	.	H	α-helix	trans	-65.5	-45	175.7	0	0	0	0	0	112.4	I364 Q365 S366 L371 L372 L394	I364-A368 PolarHBondContact O-N 3.12Å; Q365-A368 PolarHBondContact O-N 2.81Å; S366-A368 VanDerWaalsContact C-N 3.34Å; A368-L371 PolarHBondContact O-N 2.82Å; A368-L372 WeakPolarHBondContact O-CG 3.32Å; A368-L372 PolarHBondContact O-N 3.34Å; A368-L394 HydrophobicContact CB-CD1 4.01Å; A368-L394 HydrophobicContact CB-CD2 3.77Å; A368-L394 HydrophobicContact CB-CG 4.45Å
369	N	91.9	Very high	91.3	Very high	29 Å²	29	24.1 Å²	24.1	16%	0.155	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-40.7	173.9	-73.5	-27.2	0	0	0	111.7	Q365 S366 L371 L372 K373 W613	Q365-N369 VanDerWaalsContact O-CB 3.32Å; Q365-N369 WeakPolarHBondContact O-CB 3.4Å; Q365-N369 PolarHBondContact O-N 3.38Å; Q365-N369 PolarHBondContact O-ND2 2.88Å; S366-N369 PolarHBondContact O-N 3.46Å; N369-L371 VanDerWaalsContact C-N 3.31Å; N369-L371 PolarHBondContact O-N 2.98Å; N369-L372 PolarHBondContact O-N 3.49Å; N369-K373 HydrophobicContact CB-CD 4.15Å; N369-K373 WeakPolarHBondContact O-CB 3.38Å; N369-K373 PolarHBondContact O-N 3Å; N369-K373 WeakPolarHBondContact OD1-CD 3.25Å; N369-K373 VanDerWaalsContact OD1-CE 3.22Å; N369-K373 WeakPolarHBondContact OD1-CE 3.46Å; N369-K373 PolarHBondContact OD1-NZ 3.23Å; N369-W613 HydrophobicContact CB-CD2 4.29Å; N369-W613 HydrophobicContact CB-CE3 4.37Å; N369-W613 HydrophobicContact CB-CH2 3.51Å; N369-W613 HydrophobicContact CB-CZ2 3.3Å; N369-W613 HydrophobicContact CB-CZ3 4.01Å
370	D	91.4	Very high	90.6	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-35.6	177	-84.6	-39.6	0	0	0	111.9	S366 F367 Q374 P481 S484 N485 R564	S366-D370 WeakPolarHBondContact O-CB 3.36Å; S366-D370 PolarHBondContact O-N 3.34Å; F367-D370 PolarHBondContact O-N 3.12Å; D370-Q374 WeakPolarHBondContact O-CG 3.39Å; D370-Q374 PolarHBondContact O-NE2 3.07Å; D370-Q374 VanDerWaalsContact O-NE2 3.11Å; D370-Q374 PolarHBondContact OD1-NE2 2.96Å; D370-P481 HydrophobicContact CB-CB 3.78Å; D370-S484 PolarHBondContact OD2-OG 2.75Å; D370-N485 PolarHBondContact OD2-ND2 2.84Å; D370-R564 IonicContact OD2-NH1 2.74Å; D370-R564 PolarHBondContact OD2-NH1 3.28Å; D370-R564 VanDerWaalsContact OD2-NH1 3.09Å
371	L	91.7	Very high	90.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.1	-51.4	170.3	-76.5	169.4	0	0	0	112.7	F367 A368 N369 W378 I387 F390 L394 P481	F367-L371 HydrophobicContact CD1-CD1 4.05Å; F367-L371 HydrophobicContact CE1-CD1 3.57Å; F367-L371 HydrophobicContact CZ-CD1 4.15Å; F367-L371 PolarHBondContact O-N 3Å; A368-L371 PolarHBondContact O-N 2.82Å; N369-L371 VanDerWaalsContact C-N 3.31Å; N369-L371 PolarHBondContact O-N 2.98Å; L371-W378 WeakPolarHBondContact O-CZ2 3.35Å; L371-I387 HydrophobicContact CD2-CD1 4.2Å; L371-I387 HydrophobicContact CD2-CG1 3.61Å; L371-F390 HydrophobicContact CD1-CB 4.45Å; L371-L394 HydrophobicContact CB-CD2 4.13Å; L371-L394 HydrophobicContact CD1-CD2 3.89Å; L371-P481 HydrophobicContact CD2-CG 3.91Å; L371-P481 HydrophobicContact CG-CB 4.31Å; L371-P481 HydrophobicContact CG-CG 4.06Å
372	L	91.2	Very high	89.8	Confident	20 Å²	20	33.7 Å²	33.7	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-87.5	-39.8	-166	-58.1	-175.1	0	0	0	114.5	A368 N369 A391 L394 A395 L723	A368-L372 WeakPolarHBondContact O-CG 3.32Å; A368-L372 PolarHBondContact O-N 3.34Å; N369-L372 PolarHBondContact O-N 3.49Å; L372-A391 HydrophobicContact CD2-CB 4.23Å; L372-L394 HydrophobicContact CD1-CD2 4.06Å; L372-L394 HydrophobicContact CD1-CG 4.09Å; L372-L394 HydrophobicContact CD2-CD2 4.01Å; L372-L394 HydrophobicContact CD2-CG 4.37Å; L372-L394 HydrophobicContact CG-CD2 3.82Å; L372-L394 HydrophobicContact CG-CG 4.33Å; L372-A395 HydrophobicContact CD1-CB 4.31Å; L372-A395 HydrophobicContact CD2-CB 3.89Å; L372-L723 HydrophobicContact CB-CD2 4.09Å; L372-L723 HydrophobicContact CD2-CD2 3.74Å; L372-L723 HydrophobicContact CG-CD2 4.44Å
373	K	88	Confident	89.4	Confident	91 Å²	91	37.2 Å²	37.2	40%	0.396	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-19.1	-162.9	-66.5	-179.6	175.3	164.5	0	114.8	N369 G375	N369-K373 HydrophobicContact CB-CD 4.15Å; N369-K373 WeakPolarHBondContact O-CB 3.38Å; N369-K373 PolarHBondContact O-N 3Å; N369-K373 WeakPolarHBondContact OD1-CD 3.25Å; N369-K373 VanDerWaalsContact OD1-CE 3.22Å; N369-K373 WeakPolarHBondContact OD1-CE 3.46Å; N369-K373 PolarHBondContact OD1-NZ 3.23Å; K373-G375 PolarHBondContact O-N 3.11Å; K373-G375 VanDerWaalsContact O-N 3.07Å
374	Q	85.9	Confident	89.2	Confident	33 Å²	33	41.1 Å²	41.1	15%	0.154	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.2	-176.4	-63.9	-176	21.9	0	0	114.7	D370 I376 K476 Y478 T479	D370-Q374 WeakPolarHBondContact O-CG 3.39Å; D370-Q374 PolarHBondContact O-NE2 3.07Å; D370-Q374 VanDerWaalsContact O-NE2 3.11Å; D370-Q374 PolarHBondContact OD1-NE2 2.96Å; Q374-I376 HydrophobicContact CB-CG1 4.45Å; Q374-K476 PolarHBondContact O-NZ 3.1Å; Q374-Y478 HydrophobicContact CB-CD1 4.49Å; Q374-T479 PolarHBondContact NE2-O 2.87Å; Q374-T479 PolarHBondContact OE1-O 3.39Å
375	G	82.8	Confident	89.1	Confident	31 Å²	31	41.7 Å²	41.7	32%	0.32	22%	0.22	S	C	.	.			trans	72.2	51.6	-178.7	0	0	0	0	0	112.4	K373 Y478	K373-G375 PolarHBondContact O-N 3.11Å; K373-G375 VanDerWaalsContact O-N 3.07Å; G375-Y478 WeakPolarHBondContact O-CE1 3.42Å
376	I	86.3	Confident	89.3	Confident	10 Å²	10	40.4 Å²	40.4	5%	0.051	21%	0.214	C	C	.	.			trans	-69	137	176.9	-70	172.1	0	0	0	109.9	Q374 W378 I381 M446 L449 Y478	Q374-I376 HydrophobicContact CB-CG1 4.45Å; I376-W378 VanDerWaalsContact C-N 3.3Å; I376-W378 HydrophobicContact CB-CD2 4.2Å; I376-W378 HydrophobicContact CB-CH2 4.17Å; I376-W378 HydrophobicContact CB-CZ2 3.68Å; I376-W378 HydrophobicContact CD1-CH2 3.79Å; I376-W378 HydrophobicContact CD1-CZ2 3.84Å; I376-W378 HydrophobicContact CG1-CZ2 4.31Å; I376-W378 HydrophobicContact CG2-CD2 3.69Å; I376-W378 HydrophobicContact CG2-CE3 3.79Å; I376-W378 HydrophobicContact CG2-CG 4.33Å; I376-W378 HydrophobicContact CG2-CH2 3.87Å; I376-W378 HydrophobicContact CG2-CZ2 3.8Å; I376-W378 HydrophobicContact CG2-CZ3 3.86Å; I376-W378 PolarHBondContact O-N 2.9Å; I376-W378 PolarHBondContact O-NE1 3.25Å; I376-I381 HydrophobicContact CG2-CD1 3.35Å; I376-M446 HydrophobicContact CD1-CE 4Å; I376-L449 HydrophobicContact CG2-CD2 4.01Å; I376-Y478 HydrophobicContact CG1-CD1 3.67Å; I376-Y478 HydrophobicContact CG1-CE1 4.11Å; I376-Y478 HydrophobicContact CG1-CG 4.35Å
377	P	85.4	Confident	89.4	Confident	31 Å²	31	40.5 Å²	40.5	20%	0.201	22%	0.215	C	C	.	.			trans	-84.6	69.5	-176	34.7	-35.7	0	0	0	110.7	K379 K380 L449 W453 Y478	P377-K379 PolarHBondContact O-N 2.82Å; P377-K380 PolarHBondContact O-N 2.76Å; P377-L449 HydrophobicContact CG-CD1 4.31Å; P377-W453 HydrophobicContact CB-CH2 4.37Å; P377-W453 HydrophobicContact CB-CZ3 3.95Å; P377-W453 HydrophobicContact CG-CE3 3.89Å; P377-W453 HydrophobicContact CG-CH2 4.26Å; P377-W453 HydrophobicContact CG-CZ3 3.59Å; P377-Y478 WeakPolarHBondContact CD-OH 3.15Å
378	W	87.5	Confident	89.4	Confident	18 Å²	18	40.7 Å²	40.7	7%	0.068	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-52.5	-29.3	-170.8	-56.8	104.9	0	0	0	115.4	L371 I376 K380 I381 I387 R388 A391 L719 L723	L371-W378 WeakPolarHBondContact O-CZ2 3.35Å; I376-W378 VanDerWaalsContact C-N 3.3Å; I376-W378 HydrophobicContact CB-CD2 4.2Å; I376-W378 HydrophobicContact CB-CH2 4.17Å; I376-W378 HydrophobicContact CB-CZ2 3.68Å; I376-W378 HydrophobicContact CD1-CH2 3.79Å; I376-W378 HydrophobicContact CD1-CZ2 3.84Å; I376-W378 HydrophobicContact CG1-CZ2 4.31Å; I376-W378 HydrophobicContact CG2-CD2 3.69Å; I376-W378 HydrophobicContact CG2-CE3 3.79Å; I376-W378 HydrophobicContact CG2-CG 4.33Å; I376-W378 HydrophobicContact CG2-CH2 3.87Å; I376-W378 HydrophobicContact CG2-CZ2 3.8Å; I376-W378 HydrophobicContact CG2-CZ3 3.86Å; I376-W378 PolarHBondContact O-N 2.9Å; I376-W378 PolarHBondContact O-NE1 3.25Å; W378-K380 PolarHBondContact O-N 3.01Å; W378-I381 HydrophobicContact CE3-CD1 3.74Å; W378-I381 HydrophobicContact CZ3-CD1 4.03Å; W378-I381 PolarHBondContact O-N 2.92Å; W378-I387 HydrophobicContact CH2-CG1 4.35Å; W378-I387 HydrophobicContact CZ3-CG1 4.29Å; W378-I387 HydrophobicContact CZ3-CG2 4.41Å; W378-R388 HydrophobicContact CE3-CB 4.04Å; W378-R388 HydrophobicContact CE3-CG 4.01Å; W378-R388 HydrophobicContact CZ3-CB 4.21Å; W378-R388 PolarHBondContact O-NH1 2.76Å; W378-A391 HydrophobicContact CH2-CB 3.35Å; W378-A391 HydrophobicContact CZ2-CB 3.6Å; W378-A391 HydrophobicContact CZ3-CB 3.85Å; W378-L719 HydrophobicContact CB-CD2 3.47Å; W378-L719 VanDerWaalsContact CB-CD2 3.47Å; W378-L719 HydrophobicContact CD2-CD2 3.97Å; W378-L719 HydrophobicContact CG-CD2 3.36Å; W378-L723 HydrophobicContact CG-CD1 4.49Å
379	K	83.7	Confident	89.5	Confident	148 Å²	148	40.8 Å²	40.8	64%	0.643	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-59.3	-29.5	174.6	-58	-161.1	175.3	-169.5	0	113.5	P377 D716	P377-K379 PolarHBondContact O-N 2.82Å; K379-D716 WeakPolarHBondContact CA-OD2 3.14Å; K379-D716 HydrophobicContact CG-CB 4.36Å
380	K	82.9	Confident	89.7	Confident	107 Å²	107	39.4 Å²	39.4	47%	0.465	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-85.7	-7.4	174.4	-64.6	-162.9	-174.8	-179.2	0	113.5	P377 W378 W453 E456	P377-K380 PolarHBondContact O-N 2.76Å; W378-K380 PolarHBondContact O-N 3.01Å; K380-W453 HydrophobicContact CD-CE3 4.43Å; K380-W453 HydrophobicContact CD-CZ3 3.97Å; K380-E456 IonicContact NZ-OE1 3.8Å; K380-E456 PolarHBondContact NZ-OE1 2.84Å; K380-E456 IonicContact NZ-OE2 3.09Å; K380-E456 PolarHBondContact NZ-OE2 3.01Å
381	I	87.9	Confident	89.8	Confident	11 Å²	11	39 Å²	39	6%	0.056	20%	0.204	C	C	.	.	S	Bend	trans	-94.2	127.7	-179	-62.6	177.4	0	0	0	109	I376 W378 L383 A385 I387 R388 L449	I376-I381 HydrophobicContact CG2-CD1 3.35Å; W378-I381 HydrophobicContact CE3-CD1 3.74Å; W378-I381 HydrophobicContact CZ3-CD1 4.03Å; W378-I381 PolarHBondContact O-N 2.92Å; I381-L383 PolarHBondContact O-N 2.84Å; I381-A385 HydrophobicContact CG2-CB 3.61Å; I381-I387 HydrophobicContact CG2-CG2 4.25Å; I381-R388 HydrophobicContact CG2-CB 3.88Å; I381-R388 PolarHBondContact O-NH1 3.4Å; I381-R388 VanDerWaalsContact O-NH1 3.07Å; I381-L449 HydrophobicContact CD1-CD1 4.12Å; I381-L449 HydrophobicContact CD1-CD2 3.9Å; I381-L449 HydrophobicContact CG1-CD1 3.98Å
382	P	89.8	Confident	89.9	Confident	96 Å²	96	39.3 Å²	39.3	62%	0.623	21%	0.205	S	C	*	.			trans	-50.2	135.7	178	-28.4	35.1	0	0	0	111.9	N384 A385	P382-N384 PolarHBondContact O-N 3.48Å; P382-N384 VanDerWaalsContact O-N 3.08Å; P382-A385 VanDerWaalsContact O-CB 3.25Å; P382-A385 WeakPolarHBondContact O-CB 3.42Å; P382-A385 PolarHBondContact O-N 2.63Å
383	L	86.9	Confident	90.1	Very high	82 Å²	82	38.4 Å²	38.4	43%	0.429	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.3	-176.5	-79.4	165.1	0	0	0	112.6	I381 R389	I381-L383 PolarHBondContact O-N 2.84Å; L383-R389 WeakPolarHBondContact O-CD 3.28Å; L383-R389 PolarHBondContact O-NE 3.49Å; L383-R389 PolarHBondContact O-NH2 2.87Å; L383-R389 VanDerWaalsContact O-NH2 3.16Å
384	N	89.4	Confident	90.3	Very high	108 Å²	108	34.5 Å²	34.5	58%	0.578	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	5.7	-177.5	-64.5	-15.1	0	0	0	114.7	P382 R389 A415	P382-N384 PolarHBondContact O-N 3.48Å; P382-N384 VanDerWaalsContact O-N 3.08Å; N384-R389 PolarHBondContact OD1-NH2 2.91Å; N384-A415 WeakPolarHBondContact O-CB 3.49Å
385	A	94.4	Very high	90.5	Very high	13 Å²	13	33.8 Å²	33.8	11%	0.107	18%	0.183	C	C	.	.			trans	-63.6	137.2	171.7	0	0	0	0	0	110.6	I381 P382 I387 R388 R389	I381-A385 HydrophobicContact CG2-CB 3.61Å; P382-A385 VanDerWaalsContact O-CB 3.25Å; P382-A385 WeakPolarHBondContact O-CB 3.42Å; P382-A385 PolarHBondContact O-N 2.63Å; A385-I387 HydrophobicContact CB-CG2 4.38Å; A385-I387 PolarHBondContact O-N 3.43Å; A385-R388 HydrophobicContact CB-CB 4.39Å; A385-R388 PolarHBondContact O-N 2.89Å; A385-R389 PolarHBondContact O-N 3.4Å; A385-R389 VanDerWaalsContact O-N 3.12Å
386	L	96.3	Very high	90.8	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-43.9	-176.5	-175.4	69	0	0	0	111.3	R388 R389 F390 V412 A415 I416 C438 Q441 L442 D445	L386-R388 PolarHBondContact O-N 3.07Å; L386-R389 PolarHBondContact O-N 3.15Å; L386-R389 VanDerWaalsContact O-N 3.12Å; L386-F390 HydrophobicContact CD1-CD1 3.7Å; L386-F390 HydrophobicContact CD1-CE1 3.53Å; L386-F390 HydrophobicContact CD2-CE1 4.27Å; L386-F390 HydrophobicContact CG-CD1 3.86Å; L386-F390 HydrophobicContact CG-CE1 3.88Å; L386-F390 WeakPolarHBondContact O-CB 3.49Å; L386-F390 PolarHBondContact O-N 3.29Å; L386-V412 HydrophobicContact CD1-CG1 4.47Å; L386-A415 HydrophobicContact CD1-CB 4.08Å; L386-I416 HydrophobicContact CD1-CD1 3.59Å; L386-I416 HydrophobicContact CD1-CG1 3.7Å; L386-I416 HydrophobicContact CD2-CD1 3.52Å; L386-I416 HydrophobicContact CG-CD1 4.18Å; L386-C438 HydrophobicContact CD2-CB 4.37Å; L386-Q441 HydrophobicContact CB-CG 3.8Å; L386-Q441 HydrophobicContact CD2-CB 3.69Å; L386-Q441 HydrophobicContact CD2-CG 3.88Å; L386-Q441 HydrophobicContact CG-CG 4.5Å; L386-L442 HydrophobicContact CD2-CD2 4.23Å; L386-L442 HydrophobicContact CD2-CG 4Å; L386-L442 HydrophobicContact CG-CD2 4.25Å; L386-D445 WeakPolarHBondContact CA-OD2 3.28Å; L386-D445 PolarHBondContact N-OD2 2.68Å
387	I	95.1	Very high	90.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-56.1	-37.3	179.5	-166.7	171.9	0	0	0	112	L371 W378 I381 A385 A391 L442 D445 M446	L371-I387 HydrophobicContact CD2-CD1 4.2Å; L371-I387 HydrophobicContact CD2-CG1 3.61Å; W378-I387 HydrophobicContact CH2-CG1 4.35Å; W378-I387 HydrophobicContact CZ3-CG1 4.29Å; W378-I387 HydrophobicContact CZ3-CG2 4.41Å; I381-I387 HydrophobicContact CG2-CG2 4.25Å; A385-I387 HydrophobicContact CB-CG2 4.38Å; A385-I387 PolarHBondContact O-N 3.43Å; I387-A391 WeakPolarHBondContact O-CB 3.36Å; I387-A391 PolarHBondContact O-N 3.02Å; I387-L442 HydrophobicContact CB-CD2 3.84Å; I387-L442 HydrophobicContact CG1-CD2 4.1Å; I387-D445 HydrophobicContact CB-CB 4Å; I387-D445 HydrophobicContact CG2-CB 3.7Å; I387-D445 PolarHBondContact N-OD2 2.85Å; I387-M446 HydrophobicContact CD1-CB 4.33Å; I387-M446 HydrophobicContact CD1-CE 3.55Å; I387-M446 HydrophobicContact CD1-SD 4.31Å
388	R	94.4	Very high	90.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-72.2	-45.8	178.2	-175.8	166.2	179.3	-177.5	-5	111	W378 I381 A385 L386 F390 A391 H392 D716	W378-R388 HydrophobicContact CE3-CB 4.04Å; W378-R388 HydrophobicContact CE3-CG 4.01Å; W378-R388 HydrophobicContact CZ3-CB 4.21Å; W378-R388 PolarHBondContact O-NH1 2.76Å; I381-R388 HydrophobicContact CG2-CB 3.88Å; I381-R388 PolarHBondContact O-NH1 3.4Å; I381-R388 VanDerWaalsContact O-NH1 3.07Å; A385-R388 HydrophobicContact CB-CB 4.39Å; A385-R388 PolarHBondContact O-N 2.89Å; L386-R388 PolarHBondContact O-N 3.07Å; R388-F390 VanDerWaalsContact C-N 3.34Å; R388-F390 PolarHBondContact O-N 2.85Å; R388-A391 PolarHBondContact O-N 2.82Å; R388-H392 WeakPolarHBondContact CG-NE2 3.31Å; R388-H392 PolarHBondContact NE-NE2 2.72Å; R388-H392 PolarHBondContact O-CD2 2.77Å; R388-H392 PolarHBondContact O-N 2.91Å; R388-D716 IonicContact CZ-OD1 2.65Å; R388-D716 IonicContact CZ-OD2 3.13Å; R388-D716 IonicContact NH1-OD1 2.66Å; R388-D716 IonicContact NH1-OD2 3.97Å; R388-D716 PolarHBondContact NH1-OD2 3.35Å; R388-D716 IonicContact NH2-OD1 3.47Å; R388-D716 PolarHBondContact NH2-OD1 2.82Å; R388-D716 IonicContact NH2-OD2 3.22Å; R388-D716 PolarHBondContact NH2-OD2 3.45Å; R388-D716 VanDerWaalsContact NH2-OD2 3.09Å
389	R	95.8	Very high	90.3	Very high	14 Å²	14	43.5 Å²	43.5	5%	0.053	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-36	176.3	-60.4	-50.2	-166	-165.2	-7.7	112.7	L383 N384 A385 L386 H392 L393 K411 V412 A415 E715	L383-R389 WeakPolarHBondContact O-CD 3.28Å; L383-R389 PolarHBondContact O-NE 3.49Å; L383-R389 PolarHBondContact O-NH2 2.87Å; L383-R389 VanDerWaalsContact O-NH2 3.16Å; N384-R389 PolarHBondContact OD1-NH2 2.91Å; A385-R389 PolarHBondContact O-N 3.4Å; A385-R389 VanDerWaalsContact O-N 3.12Å; L386-R389 PolarHBondContact O-N 3.15Å; L386-R389 VanDerWaalsContact O-N 3.12Å; R389-H392 PolarHBondContact O-N 2.78Å; R389-L393 WeakPolarHBondContact O-CB 3.24Å; R389-L393 PolarHBondContact O-N 2.63Å; R389-K411 HydrophobicContact CG-CB 4.37Å; R389-V412 HydrophobicContact CB-CG2 3.82Å; R389-A415 HydrophobicContact CG-CB 4.27Å; R389-E715 IonicContact CZ-OE2 3.63Å; R389-E715 VanDerWaalsContact NH1-CD 3.26Å; R389-E715 IonicContact NH1-OE1 2.99Å; R389-E715 PolarHBondContact NH1-OE1 3.25Å; R389-E715 IonicContact NH1-OE2 3.5Å; R389-E715 PolarHBondContact NH1-OE2 2.92Å
390	F	96.5	Very high	90.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-49.6	171.6	-93.8	43.3	0	0	0	111.4	L358 L361 F362 F367 L371 L386 R388 H392 L393 L394 V412 C438 L442	L358-F390 HydrophobicContact CD2-CD1 4.46Å; L358-F390 HydrophobicContact CD2-CE1 3.68Å; L358-F390 HydrophobicContact CD2-CE2 4.05Å; L358-F390 HydrophobicContact CD2-CZ 3.45Å; L358-F390 VanDerWaalsContact CD2-CZ 3.45Å; L361-F390 HydrophobicContact CD1-CE2 4.17Å; F362-F390 HydrophobicContact CE1-CB 4.4Å; F362-F390 AromaticContact CE1-CD2 3.77Å; F362-F390 HydrophobicContact CE1-CD2 3.77Å; F362-F390 HydrophobicContact CE1-CE2 4.26Å; F362-F390 HydrophobicContact CE1-CG 4.17Å; F362-F390 HydrophobicContact CZ-CD2 4.22Å; F362-F390 HydrophobicContact CZ-CG 4.27Å; F367-F390 HydrophobicContact CZ-CD2 4.43Å; L371-F390 HydrophobicContact CD1-CB 4.45Å; L386-F390 HydrophobicContact CD1-CD1 3.7Å; L386-F390 HydrophobicContact CD1-CE1 3.53Å; L386-F390 HydrophobicContact CD2-CE1 4.27Å; L386-F390 HydrophobicContact CG-CD1 3.86Å; L386-F390 HydrophobicContact CG-CE1 3.88Å; L386-F390 WeakPolarHBondContact O-CB 3.49Å; L386-F390 PolarHBondContact O-N 3.29Å; R388-F390 VanDerWaalsContact C-N 3.34Å; R388-F390 PolarHBondContact O-N 2.85Å; F390-H392 PolarHBondContact O-N 2.86Å; F390-L393 PolarHBondContact O-N 2.91Å; F390-L394 WeakPolarHBondContact O-CB 3.44Å; F390-L394 PolarHBondContact O-N 2.88Å; F390-V412 HydrophobicContact CD1-CG1 4.22Å; F390-V412 HydrophobicContact CD1-CG2 4.33Å; F390-V412 HydrophobicContact CE1-CG1 3.79Å; F390-C438 HydrophobicContact CZ-CB 4.11Å; F390-L442 HydrophobicContact CD2-CD1 3.89Å; F390-L442 HydrophobicContact CD2-CD2 4.19Å; F390-L442 HydrophobicContact CE2-CD1 3.82Å; F390-L442 HydrophobicContact CG-CD2 4.34Å
391	A	94.8	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-42.3	177.2	0	0	0	0	0	112.9	L372 W378 I387 R388 L393 A395	L372-A391 HydrophobicContact CD2-CB 4.23Å; W378-A391 HydrophobicContact CH2-CB 3.35Å; W378-A391 HydrophobicContact CZ2-CB 3.6Å; W378-A391 HydrophobicContact CZ3-CB 3.85Å; I387-A391 WeakPolarHBondContact O-CB 3.36Å; I387-A391 PolarHBondContact O-N 3.02Å; R388-A391 PolarHBondContact O-N 2.82Å; A391-L393 VanDerWaalsContact C-N 3.34Å; A391-L393 PolarHBondContact O-N 2.76Å; A391-A395 WeakPolarHBondContact O-CB 3.38Å; A391-A395 PolarHBondContact O-N 2.97Å
392	H	92.8	Very high	90.1	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.028	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-40.3	176.1	-72.3	-152.7	0	0	0	112.4	R388 R389 F390 L408 E715 L719	R388-H392 WeakPolarHBondContact CG-NE2 3.31Å; R388-H392 PolarHBondContact NE-NE2 2.72Å; R388-H392 PolarHBondContact O-CD2 2.77Å; R388-H392 PolarHBondContact O-N 2.91Å; R389-H392 PolarHBondContact O-N 2.78Å; F390-H392 PolarHBondContact O-N 2.86Å; H392-L408 HydrophobicContact CB-CD2 3.94Å; H392-E715 VanDerWaalsContact CE1-CD 3.48Å; H392-E715 IonicContact CE1-OE1 2.62Å; H392-E715 PolarHBondContact CE1-OE1 2.79Å; H392-E715 VanDerWaalsContact CE1-OE1 3.3Å; H392-E715 IonicContact ND1-OE1 2.75Å; H392-E715 PolarHBondContact ND1-OE1 3.16Å; H392-L719 VanDerWaalsContact CD2-CD1 3.48Å; H392-L719 WeakPolarHBondContact CD2-CD1 3.45Å; H392-L719 WeakPolarHBondContact NE2-CD2 3.33Å
393	L	94.8	Very high	90	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-74.5	-50.5	179.5	177.3	58.9	0	0	0	111.4	F345 L358 F362 R389 F390 A391 A395 K396 K397 L408 L409 V412	F345-L393 HydrophobicContact CE1-CD1 4Å; F345-L393 HydrophobicContact CE1-CG 4.49Å; F345-L393 HydrophobicContact CZ-CD1 4.42Å; F345-L393 HydrophobicContact CZ-CD2 4.42Å; F345-L393 HydrophobicContact CZ-CG 4.42Å; L358-L393 HydrophobicContact CD1-CD2 4.04Å; F362-L393 HydrophobicContact CE2-CB 4.46Å; F362-L393 HydrophobicContact CE2-CD2 3.74Å; F362-L393 HydrophobicContact CE2-CG 3.84Å; F362-L393 HydrophobicContact CZ-CB 4.48Å; F362-L393 HydrophobicContact CZ-CD2 4.16Å; F362-L393 HydrophobicContact CZ-CG 4.32Å; R389-L393 WeakPolarHBondContact O-CB 3.24Å; R389-L393 PolarHBondContact O-N 2.63Å; F390-L393 PolarHBondContact O-N 2.91Å; A391-L393 VanDerWaalsContact C-N 3.34Å; A391-L393 PolarHBondContact O-N 2.76Å; L393-A395 VanDerWaalsContact C-N 3.34Å; L393-A395 PolarHBondContact O-N 2.92Å; L393-K396 PolarHBondContact O-N 2.89Å; L393-K396 VanDerWaalsContact O-N 3.12Å; L393-K397 PolarHBondContact O-N 2.8Å; L393-L408 HydrophobicContact CB-CB 4.37Å; L393-L408 HydrophobicContact CD1-CB 3.81Å; L393-L408 HydrophobicContact CD1-CD1 4.43Å; L393-L409 HydrophobicContact CD1-CG 4.42Å; L393-L409 HydrophobicContact CD2-CD2 3.73Å; L393-L409 HydrophobicContact CD2-CG 4.34Å; L393-V412 HydrophobicContact CB-CG2 4.43Å; L393-V412 HydrophobicContact CD2-CG2 3.97Å
394	L	93.2	Very high	90.2	Very high	10 Å²	10	36 Å²	36	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-54.8	-47.6	178.7	172.1	64.5	0	0	0	111.8	F362 A368 L371 L372 F390 K396 K397	F362-L394 HydrophobicContact CB-CD1 3.76Å; F362-L394 HydrophobicContact CD1-CB 4.08Å; F362-L394 HydrophobicContact CD1-CD1 3.84Å; F362-L394 HydrophobicContact CD1-CD2 4.48Å; F362-L394 HydrophobicContact CD1-CG 4.34Å; F362-L394 HydrophobicContact CE1-CB 3.99Å; F362-L394 HydrophobicContact CG-CB 4.44Å; F362-L394 HydrophobicContact CG-CD1 3.8Å; F362-L394 HydrophobicContact CZ-CB 4.26Å; A368-L394 HydrophobicContact CB-CD1 4.01Å; A368-L394 HydrophobicContact CB-CD2 3.77Å; A368-L394 HydrophobicContact CB-CG 4.45Å; L371-L394 HydrophobicContact CB-CD2 4.13Å; L371-L394 HydrophobicContact CD1-CD2 3.89Å; L372-L394 HydrophobicContact CD1-CD2 4.06Å; L372-L394 HydrophobicContact CD1-CG 4.09Å; L372-L394 HydrophobicContact CD2-CD2 4.01Å; L372-L394 HydrophobicContact CD2-CG 4.37Å; L372-L394 HydrophobicContact CG-CD2 3.82Å; L372-L394 HydrophobicContact CG-CG 4.33Å; F390-L394 WeakPolarHBondContact O-CB 3.44Å; F390-L394 PolarHBondContact O-N 2.88Å; L394-K396 PolarHBondContact O-N 2.97Å; L394-K397 HydrophobicContact CD1-CD 4.28Å; L394-K397 WeakPolarHBondContact O-CG 3.34Å; L394-K397 PolarHBondContact O-N 2.84Å
395	A	90.9	Very high	90.2	Very high	17 Å²	17	31.3 Å²	31.3	14%	0.14	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.6	-177.6	0	0	0	0	0	114.1	L372 A391 L393 V722	L372-A395 HydrophobicContact CD1-CB 4.31Å; L372-A395 HydrophobicContact CD2-CB 3.89Å; A391-A395 WeakPolarHBondContact O-CB 3.38Å; A391-A395 PolarHBondContact O-N 2.97Å; L393-A395 VanDerWaalsContact C-N 3.34Å; L393-A395 PolarHBondContact O-N 2.92Å; A395-V722 HydrophobicContact CB-CG1 3.74Å; A395-V722 WeakPolarHBondContact O-CG1 3.42Å
396	K	88.3	Confident	90.2	Very high	40 Å²	40	35.2 Å²	35.2	17%	0.174	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-7.9	-179.5	-71.1	-174.1	168.7	-171	0	114.3	L393 L394 D398 V399 C400 L408 V722	L393-K396 PolarHBondContact O-N 2.89Å; L393-K396 VanDerWaalsContact O-N 3.12Å; L394-K396 PolarHBondContact O-N 2.97Å; K396-D398 PolarHBondContact O-N 3.09Å; K396-V399 PolarHBondContact O-N 3.29Å; K396-C400 HydrophobicContact CB-CB 4.31Å; K396-C400 PolarHBondContact O-N 2.95Å; K396-C400 VanDerWaalsContact O-N 3.13Å; K396-C400 PolarHBondContact O-SG 3.46Å; K396-L408 HydrophobicContact CB-CD1 4.12Å; K396-L408 HydrophobicContact CD-CD1 3.93Å; K396-V722 HydrophobicContact CG-CG1 4.37Å
397	K	85.3	Confident	90.1	Very high	38 Å²	38	39.2 Å²	39.2	17%	0.165	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.9	-168.4	77.1	177.8	-179.6	58.7	0	114.3	F345 F362 L393 L394 K405	F345-K397 HydrophobicContact CE1-CB 4.21Å; F345-K397 HydrophobicContact CZ-CB 4.34Å; F362-K397 HydrophobicContact CB-CD 4.27Å; F362-K397 HydrophobicContact CD2-CD 4.49Å; L393-K397 PolarHBondContact O-N 2.8Å; L394-K397 HydrophobicContact CD1-CD 4.28Å; L394-K397 WeakPolarHBondContact O-CG 3.34Å; L394-K397 PolarHBondContact O-N 2.84Å; K397-K405 WeakPolarHBondContact O-CE 3.44Å; K397-K405 PolarHBondContact O-NZ 2.72Å
398	D	82.6	Confident	90	Very high	91 Å²	91	39.7 Å²	39.7	49%	0.487	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-9.5	-177.7	-54.2	-60.1	0	0	0	113.7	K396	K396-D398 PolarHBondContact O-N 3.09Å
399	V	79.9	Confident	90.1	Very high	125 Å²	125	39.5 Å²	39.5	76%	0.758	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-32.7	-164.4	-174.4	0	0	0	0	114.1	K396	K396-V399 PolarHBondContact O-N 3.29Å
400	C	80.8	Confident	90.1	Very high	26 Å²	26	43.4 Å²	43.4	18%	0.176	23%	0.228	C	C	.	.	S	Bend	trans	-89.8	166.3	-175.3	70.1	0	0	0	0	114.3	K396 V404 K405	K396-C400 HydrophobicContact CB-CB 4.31Å; K396-C400 PolarHBondContact O-N 2.95Å; K396-C400 VanDerWaalsContact O-N 3.13Å; K396-C400 PolarHBondContact O-SG 3.46Å; C400-V404 HydrophobicContact CB-CB 3.91Å; C400-V404 HydrophobicContact CB-CG1 3.79Å; C400-K405 WeakPolarHBondContact O-CE 3.45Å; C400-K405 WeakPolarHBondContact SG-CG 3.43Å
401	S	84.9	Confident	90.1	Very high	50 Å²	50	46.7 Å²	46.7	35%	0.35	24%	0.242	S	C	.	.			trans	-67.6	158	177.5	91.1	0	0	0	0	112.3	E403 V404 K405	S401-E403 WeakPolarHBondContact CB-OE2 3.47Å; S401-E403 PolarHBondContact O-N 2.76Å; S401-E403 PolarHBondContact OG-N 2.74Å; S401-E403 PolarHBondContact OG-OE2 3.24Å; S401-V404 PolarHBondContact O-N 2.73Å; S401-V404 VanDerWaalsContact O-N 3.11Å; S401-V404 PolarHBondContact OG-N 3.35Å; S401-K405 PolarHBondContact O-N 3.47Å
402	P	85	Confident	90.1	Very high	37 Å²	37	46.7 Å²	46.7	24%	0.24	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-28.7	179.1	18.3	-26.3	0	0	0	113.6	K405 K406	P402-K405 PolarHBondContact O-N 3.11Å; P402-K406 WeakPolarHBondContact O-CB 3.45Å; P402-K406 PolarHBondContact O-N 3.11Å
403	E	88.3	Confident	90.3	Very high	117 Å²	117	47.2 Å²	47.2	55%	0.547	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-48.2	174.4	-58.5	63.6	-134.1	0	0	110.5	S401 K405 K406 E407	S401-E403 WeakPolarHBondContact CB-OE2 3.47Å; S401-E403 PolarHBondContact O-N 2.76Å; S401-E403 PolarHBondContact OG-N 2.74Å; S401-E403 PolarHBondContact OG-OE2 3.24Å; E403-K405 VanDerWaalsContact C-N 3.31Å; E403-K405 PolarHBondContact O-N 3.42Å; E403-K406 VanDerWaalsContact O-CB 3.31Å; E403-K406 WeakPolarHBondContact O-CB 3.34Å; E403-K406 PolarHBondContact O-N 3Å; E403-K406 VanDerWaalsContact O-N 3.1Å; E403-E407 PolarHBondContact O-N 2.98Å
404	V	90	Very high	90.3	Very high	58 Å²	58	50.4 Å²	50.4	35%	0.352	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-38.5	177.2	179.8	0	0	0	0	110.6	C400 S401 E407 L408	C400-V404 HydrophobicContact CB-CB 3.91Å; C400-V404 HydrophobicContact CB-CG1 3.79Å; S401-V404 PolarHBondContact O-N 2.73Å; S401-V404 VanDerWaalsContact O-N 3.11Å; S401-V404 PolarHBondContact OG-N 3.35Å; V404-E407 PolarHBondContact O-N 3.05Å; V404-L408 HydrophobicContact CG1-CD1 4Å; V404-L408 WeakPolarHBondContact O-CB 3.24Å; V404-L408 WeakPolarHBondContact O-CD1 3.5Å; V404-L408 VanDerWaalsContact O-CG 3.25Å; V404-L408 WeakPolarHBondContact O-CG 3.36Å; V404-L408 PolarHBondContact O-N 3.46Å
405	K	90.4	Very high	90.5	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-45.3	171.2	-65	177.7	-171.1	172.2	0	111.3	K397 C400 S401 P402 E403 E407 L408 L409	K397-K405 WeakPolarHBondContact O-CE 3.44Å; K397-K405 PolarHBondContact O-NZ 2.72Å; C400-K405 WeakPolarHBondContact O-CE 3.45Å; C400-K405 WeakPolarHBondContact SG-CG 3.43Å; S401-K405 PolarHBondContact O-N 3.47Å; P402-K405 PolarHBondContact O-N 3.11Å; E403-K405 VanDerWaalsContact C-N 3.31Å; E403-K405 PolarHBondContact O-N 3.42Å; K405-E407 PolarHBondContact O-N 3.26Å; K405-L408 PolarHBondContact O-N 3.25Å; K405-L409 WeakPolarHBondContact O-CB 3.3Å; K405-L409 WeakPolarHBondContact O-CD1 3.42Å; K405-L409 WeakPolarHBondContact O-CG 3.37Å; K405-L409 PolarHBondContact O-N 2.92Å
406	K	93.2	Very high	90.7	Very high	95 Å²	95	49.4 Å²	49.4	41%	0.413	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-44.6	178.8	-163.8	177.9	-174.2	174.8	0	111.7	L348 P402 E403 L409 K410	L348-K406 HydrophobicContact CD2-CG 3.58Å; P402-K406 WeakPolarHBondContact O-CB 3.45Å; P402-K406 PolarHBondContact O-N 3.11Å; E403-K406 VanDerWaalsContact O-CB 3.31Å; E403-K406 WeakPolarHBondContact O-CB 3.34Å; E403-K406 PolarHBondContact O-N 3Å; E403-K406 VanDerWaalsContact O-N 3.1Å; K406-L409 PolarHBondContact O-N 2.95Å; K406-K410 WeakPolarHBondContact O-CG 3.27Å; K406-K410 PolarHBondContact O-N 3.2Å
407	E	94.4	Very high	91	Very high	86 Å²	86	48.6 Å²	48.6	40%	0.402	26%	0.26	S	S	.	.	H	α-helix	trans	-70.3	-36.4	176.4	-60.4	-44.5	121.5	0	0	113.1	E403 V404 K405 K410 K411	E403-E407 PolarHBondContact O-N 2.98Å; V404-E407 PolarHBondContact O-N 3.05Å; K405-E407 PolarHBondContact O-N 3.26Å; E407-K410 PolarHBondContact O-N 3.5Å; E407-K410 WeakPolarHBondContact OE1-CE 3.31Å; E407-K410 IonicContact OE1-NZ 3.92Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; E407-K410 WeakPolarHBondContact OE2-CD 3.24Å; E407-K410 WeakPolarHBondContact OE2-CE 3.43Å; E407-K410 IonicContact OE2-NZ 3.38Å; E407-K410 PolarHBondContact OE2-NZ 3.21Å; E407-K411 WeakPolarHBondContact O-CG 3.48Å; E407-K411 PolarHBondContact O-N 2.9Å
408	L	94.6	Very high	91.4	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-39.6	173.3	-70.7	166.5	0	0	0	111.8	H392 L393 K396 V404 K405 K411 V412	H392-L408 HydrophobicContact CB-CD2 3.94Å; L393-L408 HydrophobicContact CB-CB 4.37Å; L393-L408 HydrophobicContact CD1-CB 3.81Å; L393-L408 HydrophobicContact CD1-CD1 4.43Å; K396-L408 HydrophobicContact CB-CD1 4.12Å; K396-L408 HydrophobicContact CD-CD1 3.93Å; V404-L408 HydrophobicContact CG1-CD1 4Å; V404-L408 WeakPolarHBondContact O-CB 3.24Å; V404-L408 WeakPolarHBondContact O-CD1 3.5Å; V404-L408 VanDerWaalsContact O-CG 3.25Å; V404-L408 WeakPolarHBondContact O-CG 3.36Å; V404-L408 PolarHBondContact O-N 3.46Å; K405-L408 PolarHBondContact O-N 3.25Å; L408-K411 WeakPolarHBondContact O-CB 3.43Å; L408-K411 PolarHBondContact O-N 3.02Å; L408-V412 PolarHBondContact O-N 3.1Å
409	L	95.5	Very high	91.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-40.2	173.6	-69.2	159.7	0	0	0	111.6	F345 L348 M354 L358 L393 K405 K406 K411 V412 K413	F345-L409 HydrophobicContact CB-CD1 3.62Å; F345-L409 HydrophobicContact CB-CD2 4.02Å; F345-L409 HydrophobicContact CB-CG 4.47Å; F345-L409 HydrophobicContact CD1-CD1 4Å; F345-L409 HydrophobicContact CD1-CD2 4.12Å; F345-L409 HydrophobicContact CD1-CG 4.43Å; F345-L409 HydrophobicContact CD2-CD2 4.11Å; F345-L409 HydrophobicContact CG-CD1 4Å; F345-L409 HydrophobicContact CG-CD2 3.83Å; F345-L409 HydrophobicContact CG-CG 4.47Å; L348-L409 HydrophobicContact CD1-CB 3.9Å; M354-L409 HydrophobicContact CE-CB 4.19Å; M354-L409 HydrophobicContact CE-CD2 4.09Å; L358-L409 HydrophobicContact CD1-CD2 3.79Å; L393-L409 HydrophobicContact CD1-CG 4.42Å; L393-L409 HydrophobicContact CD2-CD2 3.73Å; L393-L409 HydrophobicContact CD2-CG 4.34Å; K405-L409 WeakPolarHBondContact O-CB 3.3Å; K405-L409 WeakPolarHBondContact O-CD1 3.42Å; K405-L409 WeakPolarHBondContact O-CG 3.37Å; K405-L409 PolarHBondContact O-N 2.92Å; K406-L409 PolarHBondContact O-N 2.95Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 3.22Å; L409-V412 PolarHBondContact O-N 3.31Å; L409-K413 WeakPolarHBondContact O-CB 3.47Å; L409-K413 PolarHBondContact O-N 3.37Å
410	K	95.7	Very high	92.5	Very high	96 Å²	96	44.5 Å²	44.5	42%	0.417	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-42.6	171	-71.6	-175.8	-153.1	161.9	0	111.6	L348 K406 E407 K413 S414	L348-K410 HydrophobicContact CD1-CB 4.45Å; L348-K410 HydrophobicContact CD1-CG 3.88Å; L348-K410 HydrophobicContact CD2-CG 4.31Å; K406-K410 WeakPolarHBondContact O-CG 3.27Å; K406-K410 PolarHBondContact O-N 3.2Å; E407-K410 PolarHBondContact O-N 3.5Å; E407-K410 WeakPolarHBondContact OE1-CE 3.31Å; E407-K410 IonicContact OE1-NZ 3.92Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; E407-K410 WeakPolarHBondContact OE2-CD 3.24Å; E407-K410 WeakPolarHBondContact OE2-CE 3.43Å; E407-K410 IonicContact OE2-NZ 3.38Å; E407-K410 PolarHBondContact OE2-NZ 3.21Å; K410-K413 PolarHBondContact O-N 3.32Å; K410-S414 VanDerWaalsContact O-CB 3.29Å; K410-S414 WeakPolarHBondContact O-CB 3.33Å; K410-S414 PolarHBondContact O-N 3.4Å
411	K	96.1	Very high	93.1	Very high	69 Å²	69	51 Å²	51	30%	0.3	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-40	176.6	-75.7	174.3	171.4	-173.6	0	112.1	R389 E407 L408 L409 A415 E715	R389-K411 HydrophobicContact CG-CB 4.37Å; E407-K411 WeakPolarHBondContact O-CG 3.48Å; E407-K411 PolarHBondContact O-N 2.9Å; L408-K411 WeakPolarHBondContact O-CB 3.43Å; L408-K411 PolarHBondContact O-N 3.02Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 3.22Å; K411-A415 PolarHBondContact O-N 2.82Å; K411-A415 VanDerWaalsContact O-N 3.07Å; K411-E715 IonicContact NZ-OE1 3.6Å; K411-E715 PolarHBondContact NZ-OE1 2.65Å; K411-E715 IonicContact NZ-OE2 2.73Å; K411-E715 PolarHBondContact NZ-OE2 3.43Å
412	V	96.6	Very high	93.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-49.2	172.9	169.8	0	0	0	0	111.6	M354 L358 L386 R389 F390 L393 L408 L409 S414 A415 I416	M354-V412 HydrophobicContact SD-CG1 4.32Å; L358-V412 HydrophobicContact CD1-CG1 4.26Å; L358-V412 HydrophobicContact CD2-CG1 4.44Å; L386-V412 HydrophobicContact CD1-CG1 4.47Å; R389-V412 HydrophobicContact CB-CG2 3.82Å; F390-V412 HydrophobicContact CD1-CG1 4.22Å; F390-V412 HydrophobicContact CD1-CG2 4.33Å; F390-V412 HydrophobicContact CE1-CG1 3.79Å; L393-V412 HydrophobicContact CB-CG2 4.43Å; L393-V412 HydrophobicContact CD2-CG2 3.97Å; L408-V412 PolarHBondContact O-N 3.1Å; L409-V412 PolarHBondContact O-N 3.31Å; V412-S414 VanDerWaalsContact C-N 3.28Å; V412-S414 PolarHBondContact O-N 3.03Å; V412-A415 PolarHBondContact O-N 3.33Å; V412-I416 PolarHBondContact O-N 2.79Å; V412-I416 VanDerWaalsContact O-N 3.15Å
413	K	96	Very high	93.8	Very high	17 Å²	17	52.5 Å²	52.5	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-55.2	-45.4	176.1	-170.2	-164.6	178.1	-165.9	0	111	T351 M354 L409 K410 I416 S417 F423 S424 G425	T351-K413 HydrophobicContact CG2-CD 4.42Å; M354-K413 HydrophobicContact CE-CB 4.46Å; M354-K413 HydrophobicContact SD-CB 4.09Å; L409-K413 WeakPolarHBondContact O-CB 3.47Å; L409-K413 PolarHBondContact O-N 3.37Å; K410-K413 PolarHBondContact O-N 3.32Å; K413-I416 PolarHBondContact O-N 2.6Å; K413-S417 VanDerWaalsContact O-CB 3.28Å; K413-S417 WeakPolarHBondContact O-CB 3.23Å; K413-S417 PolarHBondContact O-N 3.2Å; K413-S417 PolarHBondContact O-OG 2.79Å; K413-F423 WeakPolarHBondContact CE-O 3.48Å; K413-S424 PolarHBondContact NZ-O 2.71Å; K413-G425 WeakPolarHBondContact CE-O 3.22Å; K413-G425 PolarHBondContact NZ-O 3.07Å
414	S	95.6	Very high	93.9	Very high	67 Å²	67	49.9 Å²	49.9	47%	0.469	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-43.1	179	-171.9	0	0	0	0	112.5	K410 V412 I416 S417 A418	K410-S414 VanDerWaalsContact O-CB 3.29Å; K410-S414 WeakPolarHBondContact O-CB 3.33Å; K410-S414 PolarHBondContact O-N 3.4Å; V412-S414 VanDerWaalsContact C-N 3.28Å; V412-S414 PolarHBondContact O-N 3.03Å; S414-I416 PolarHBondContact O-N 2.76Å; S414-S417 PolarHBondContact O-N 2.78Å; S414-A418 WeakPolarHBondContact O-CB 3.26Å; S414-A418 PolarHBondContact O-N 2.83Å
415	A	96.3	Very high	93.9	Very high	6 Å²	6	48.6 Å²	48.6	5%	0.05	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-44.7	176.7	0	0	0	0	0	112.5	N384 L386 R389 K411 V412	N384-A415 WeakPolarHBondContact O-CB 3.49Å; L386-A415 HydrophobicContact CD1-CB 4.08Å; R389-A415 HydrophobicContact CG-CB 4.27Å; K411-A415 PolarHBondContact O-N 2.82Å; K411-A415 VanDerWaalsContact O-N 3.07Å; V412-A415 PolarHBondContact O-N 3.33Å
416	I	95.8	Very high	94	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-42	173.6	-65.9	-67.5	0	0	0	111.7	L386 V412 K413 S414 A418 T419 A420 F423 F434 Q437	L386-I416 HydrophobicContact CD1-CD1 3.59Å; L386-I416 HydrophobicContact CD1-CG1 3.7Å; L386-I416 HydrophobicContact CD2-CD1 3.52Å; L386-I416 HydrophobicContact CG-CD1 4.18Å; V412-I416 PolarHBondContact O-N 2.79Å; V412-I416 VanDerWaalsContact O-N 3.15Å; K413-I416 PolarHBondContact O-N 2.6Å; S414-I416 PolarHBondContact O-N 2.76Å; I416-A418 PolarHBondContact O-N 2.88Å; I416-T419 PolarHBondContact O-N 2.95Å; I416-T419 VanDerWaalsContact O-N 3.09Å; I416-T419 PolarHBondContact O-OG1 2.71Å; I416-A420 PolarHBondContact O-N 3.26Å; I416-F423 HydrophobicContact CG2-CB 4.01Å; I416-F423 HydrophobicContact CG2-CD2 3.43Å; I416-F423 VanDerWaalsContact CG2-CD2 3.43Å; I416-F423 HydrophobicContact CG2-CE2 4.13Å; I416-F423 HydrophobicContact CG2-CG 3.91Å; I416-F434 HydrophobicContact CB-CE2 4.22Å; I416-F434 HydrophobicContact CG1-CE2 3.89Å; I416-F434 HydrophobicContact CG1-CZ 4.26Å; I416-F434 HydrophobicContact CG2-CD2 4.22Å; I416-F434 HydrophobicContact CG2-CE2 3.89Å; I416-Q437 HydrophobicContact CD1-CG 4.41Å; I416-Q437 HydrophobicContact CG2-CG 4.18Å
417	S	94.7	Very high	93.9	Very high	23 Å²	23	58 Å²	58	16%	0.161	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-26.6	-177.8	-58.6	0	0	0	0	113	K413 S414 T419 F423 S424	K413-S417 VanDerWaalsContact O-CB 3.28Å; K413-S417 WeakPolarHBondContact O-CB 3.23Å; K413-S417 PolarHBondContact O-N 3.2Å; K413-S417 PolarHBondContact O-OG 2.79Å; S414-S417 PolarHBondContact O-N 2.78Å; S417-T419 VanDerWaalsContact C-N 3.32Å; S417-F423 PolarHBondContact OG-O 2.8Å; S417-S424 VanDerWaalsContact OG-CA 3.31Å; S417-S424 WeakPolarHBondContact OG-CA 3.48Å; S417-S424 PolarHBondContact OG-N 2.94Å
418	A	93.3	Very high	93.6	Very high	84 Å²	84	56.5 Å²	56.5	69%	0.694	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.4	176.3	0	0	0	0	0	113.6	S414 I416	S414-A418 WeakPolarHBondContact O-CB 3.26Å; S414-A418 PolarHBondContact O-N 2.83Å; I416-A418 PolarHBondContact O-N 2.88Å
419	T	91.8	Very high	93.6	Very high	72 Å²	72	57 Å²	57	44%	0.442	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-23.4	178	64.3	0	0	0	0	113	I416 S417 Q441	I416-T419 PolarHBondContact O-N 2.95Å; I416-T419 VanDerWaalsContact O-N 3.09Å; I416-T419 PolarHBondContact O-OG1 2.71Å; S417-T419 VanDerWaalsContact C-N 3.32Å; T419-Q441 PolarHBondContact OG1-OE1 2.59Å
420	A	93.3	Very high	93.5	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	31%	0.31	C	S	.	.			trans	-135.8	93	173.1	0	0	0	0	0	111.4	I416 R422 F423 Q437	I416-A420 PolarHBondContact O-N 3.26Å; A420-R422 HydrophobicContact CB-CG 4.33Å; A420-R422 PolarHBondContact O-N 2.86Å; A420-F423 HydrophobicContact CB-CD2 3.7Å; A420-F423 HydrophobicContact CB-CE2 3.86Å; A420-F423 PolarHBondContact O-N 2.86Å; A420-F423 VanDerWaalsContact O-N 3.1Å; A420-Q437 HydrophobicContact CB-CG 3.85Å
421	E	93.1	Very high	93.5	Very high	161 Å²	161	53.8 Å²	53.8	75%	0.752	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-50.4	-31.2	-174.1	-173.5	-178.2	-173.6	0	0	114	F423 S424	E421-F423 PolarHBondContact O-N 2.85Å; E421-S424 WeakPolarHBondContact O-CB 3.36Å; E421-S424 PolarHBondContact O-N 2.82Å; E421-S424 PolarHBondContact O-OG 2.83Å
422	R	91.8	Very high	93.5	Very high	117 Å²	117	51.6 Å²	51.6	44%	0.442	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-53.4	-26.3	178.3	63.9	174.4	-64.5	169.3	0.4	115.2	A420 N429 E433	A420-R422 HydrophobicContact CB-CG 4.33Å; A420-R422 PolarHBondContact O-N 2.86Å; R422-N429 PolarHBondContact NE-OD1 2.89Å; R422-N429 VanDerWaalsContact NE-OD1 3.13Å; R422-N429 PolarHBondContact NH2-OD1 2.89Å; R422-N429 PolarHBondContact O-ND2 2.91Å; R422-E433 IonicContact CZ-OE1 3.39Å; R422-E433 IonicContact CZ-OE2 2.87Å; R422-E433 VanDerWaalsContact CZ-OE2 3.26Å; R422-E433 IonicContact NH1-OE1 3.09Å; R422-E433 PolarHBondContact NH1-OE1 3.28Å; R422-E433 IonicContact NH1-OE2 3.64Å; R422-E433 PolarHBondContact NH1-OE2 3.45Å; R422-E433 VanDerWaalsContact NH1-OE2 3.1Å; R422-E433 IonicContact NH2-OE1 2.72Å; R422-E433 IonicContact NH2-OE2 3.95Å; R422-E433 PolarHBondContact NH2-OE2 3.36Å
423	F	93.6	Very high	93.5	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.013	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-91	-4.1	-180	-58.1	-68.5	0	0	0	113.4	Y353 K413 I416 S417 A420 E421 N429 F434 Q437	Y353-F423 AromaticContact CE2-CD1 3.76Å; Y353-F423 HydrophobicContact CE2-CD1 3.76Å; Y353-F423 HydrophobicContact CE2-CE1 4.04Å; K413-F423 WeakPolarHBondContact CE-O 3.48Å; I416-F423 HydrophobicContact CG2-CB 4.01Å; I416-F423 HydrophobicContact CG2-CD2 3.43Å; I416-F423 VanDerWaalsContact CG2-CD2 3.43Å; I416-F423 HydrophobicContact CG2-CE2 4.13Å; I416-F423 HydrophobicContact CG2-CG 3.91Å; S417-F423 PolarHBondContact OG-O 2.8Å; A420-F423 HydrophobicContact CB-CD2 3.7Å; A420-F423 HydrophobicContact CB-CE2 3.86Å; A420-F423 PolarHBondContact O-N 2.86Å; A420-F423 VanDerWaalsContact O-N 3.1Å; E421-F423 PolarHBondContact O-N 2.85Å; F423-N429 HydrophobicContact CD1-CB 4.04Å; F423-N429 HydrophobicContact CE1-CB 3.89Å; F423-F434 AromaticContact CD1-CD2 3.96Å; F423-F434 HydrophobicContact CD1-CD2 3.96Å; F423-F434 HydrophobicContact CE1-CB 3.83Å; F423-F434 AromaticContact CE1-CD2 3.92Å; F423-F434 HydrophobicContact CE1-CD2 3.92Å; F423-F434 HydrophobicContact CE1-CG 4.38Å; F423-F434 HydrophobicContact CG-CD2 4.29Å; F423-F434 HydrophobicContact CZ-CB 4.03Å; F423-F434 HydrophobicContact CZ-CD2 4.21Å; F423-Q437 HydrophobicContact CE2-CB 4.08Å; F423-Q437 HydrophobicContact CE2-CG 4.04Å
424	S	91.1	Very high	93.5	Very high	62 Å²	62	54.9 Å²	54.9	43%	0.434	30%	0.296	S	S	.	.	S	Bend	trans	-64.4	-40.5	-178.9	63.4	0	0	0	0	113.6	K413 S417 E421	K413-S424 PolarHBondContact NZ-O 2.71Å; S417-S424 VanDerWaalsContact OG-CA 3.31Å; S417-S424 WeakPolarHBondContact OG-CA 3.48Å; S417-S424 PolarHBondContact OG-N 2.94Å; E421-S424 WeakPolarHBondContact O-CB 3.36Å; E421-S424 PolarHBondContact O-N 2.82Å; E421-S424 PolarHBondContact O-OG 2.83Å
425	G	89.8	Confident	93.7	Very high	30 Å²	30	51.7 Å²	51.7	31%	0.309	27%	0.274	S	S	.	.	S	Bend	trans	-72.8	-173.7	-177.1	0	0	0	0	0	114.6	K413	K413-G425 WeakPolarHBondContact CE-O 3.22Å; K413-G425 PolarHBondContact NZ-O 3.07Å
426	Y	91.4	Very high	93.7	Very high	157 Å²	157	52.9 Å²	52.9	62%	0.616	28%	0.282	S	S	*	.	S	Bend	trans	-110.7	31.7	177.4	-57.1	-81.1	0	0	0	111.5	L348 N350	L348-Y426 WeakPolarHBondContact O-CD1 3.49Å; L348-Y426 WeakPolarHBondContact O-CE1 3.48Å; N350-Y426 WeakPolarHBondContact CB-O 3.28Å; N350-Y426 PolarHBondContact ND2-O 3.46Å
427	M	90.8	Very high	93.8	Very high	145 Å²	145	55.4 Å²	55.4	71%	0.714	29%	0.294	S	S	*	.	S	Bend	trans	-90.5	149.2	175.7	-65.3	178.9	68.1	0	0	110.2	N429	M427-N429 PolarHBondContact O-ND2 3.38Å
428	Q	89.9	Confident	94	Very high	54 Å²	54	54.3 Å²	54.3	25%	0.252	29%	0.286	S	S	.	.			trans	-59.4	140.3	168.4	-58.1	-156.8	-16	0	0	109.8	N350 S912 G914	N350-Q428 HydrophobicContact CB-CG 3.91Å; N350-Q428 WeakPolarHBondContact OD1-CG 3.17Å; N350-Q428 PolarHBondContact OD1-NE2 3.42Å; Q428-S912 PolarHBondContact OE1-O 3.18Å; Q428-G914 PolarHBondContact NE2-O 3.43Å; Q428-G914 VanDerWaalsContact OE1-N 3.1Å; Q428-G914 PolarHBondContact OE1-O 2.87Å
429	N	92.9	Very high	94.2	Very high	22 Å²	22	50.3 Å²	50.3	12%	0.118	25%	0.253	C	S	.	.			trans	-134.7	163	178.7	-90.8	-91.2	0	0	0	108.8	Y353 R422 F423 M427	Y353-N429 HydrophobicContact CD1-CB 4.08Å; Y353-N429 HydrophobicContact CD2-CB 4.21Å; Y353-N429 HydrophobicContact CE1-CB 3.85Å; Y353-N429 HydrophobicContact CE2-CB 4.01Å; Y353-N429 HydrophobicContact CG-CB 4.27Å; R422-N429 PolarHBondContact NE-OD1 2.89Å; R422-N429 VanDerWaalsContact NE-OD1 3.13Å; R422-N429 PolarHBondContact NH2-OD1 2.89Å; R422-N429 PolarHBondContact O-ND2 2.91Å; F423-N429 HydrophobicContact CD1-CB 4.04Å; F423-N429 HydrophobicContact CE1-CB 3.89Å; M427-N429 PolarHBondContact O-ND2 3.38Å
430	D	93.8	Very high	94.4	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.144	25%	0.254	C	S	.	.			trans	-74.8	137.3	176.8	-160.6	-72.5	0	0	0	111.9	H432 E433 F434 Y953	D430-H432 WeakPolarHBondContact OD1-CB 3.28Å; D430-H432 PolarHBondContact OD1-N 2.77Å; D430-E433 HydrophobicContact CB-CB 4.15Å; D430-E433 HydrophobicContact CB-CG 3.92Å; D430-E433 WeakPolarHBondContact CB-OE2 3.45Å; D430-F434 PolarHBondContact O-N 3.48Å; D430-F434 VanDerWaalsContact O-N 3.16Å; D430-Y953 WeakPolarHBondContact OD1-CE1 3.44Å; D430-Y953 PolarHBondContact OD1-OH 3Å; D430-Y953 VanDerWaalsContact OD1-OH 3.06Å; D430-Y953 PolarHBondContact OD2-OH 2.91Å; D430-Y953 VanDerWaalsContact OD2-OH 3.12Å
431	A	96.1	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.4	-30.9	179.2	0	0	0	0	0	113	I357 L435 V904 Y916 I954	I357-A431 HydrophobicContact CD1-CB 4.24Å; I357-A431 WeakPolarHBondContact CD1-O 3.46Å; I357-A431 HydrophobicContact CG1-CB 4.07Å; I357-A431 WeakPolarHBondContact CG1-O 3.3Å; A431-L435 VanDerWaalsContact O-CB 3.3Å; A431-L435 WeakPolarHBondContact O-CB 3.36Å; A431-L435 PolarHBondContact O-N 2.89Å; A431-V904 HydrophobicContact CB-CG1 4.32Å; A431-Y916 HydrophobicContact CB-CD1 3.85Å; A431-Y916 HydrophobicContact CB-CE1 3.56Å; A431-Y916 HydrophobicContact CB-CE2 4.45Å; A431-Y916 HydrophobicContact CB-CG 4.41Å; A431-I954 HydrophobicContact CB-CD1 4.09Å
432	H	96.1	Very high	94.7	Very high	23 Å²	23	43.8 Å²	43.8	11%	0.106	22%	0.218	C	C	.	.	H	α-helix	trans	-72.6	-41.5	177.6	178.4	-104	0	0	0	111	D430 F434 L435 S436 D511 S513 H569 Y953 I954	D430-H432 WeakPolarHBondContact OD1-CB 3.28Å; D430-H432 PolarHBondContact OD1-N 2.77Å; H432-F434 PolarHBondContact O-N 3.29Å; H432-L435 WeakPolarHBondContact O-CB 3.34Å; H432-L435 PolarHBondContact O-N 2.8Å; H432-S436 WeakPolarHBondContact O-CB 3.49Å; H432-S436 PolarHBondContact O-N 2.83Å; H432-S436 PolarHBondContact O-OG 3.46Å; H432-D511 IonicContact CD2-OD2 2.74Å; H432-D511 IonicContact CE1-OD2 2.72Å; H432-D511 IonicContact NE2-OD2 3.69Å; H432-D511 PolarHBondContact NE2-OD2 3.31Å; H432-S513 PolarHBondContact CE1-OG 3.19Å; H432-S513 VanDerWaalsContact CE1-OG 3.31Å; H432-S513 PolarHBondContact NE2-OG 3.19Å; H432-H569 AromaticContact CD2-CG 3.67Å; H432-H569 AromaticContact CD2-ND1 3.54Å; H432-H569 AromaticContact CE1-ND1 3.55Å; H432-H569 AromaticContact CG-CE1 3.85Å; H432-H569 AromaticContact CG-CG 3.75Å; H432-H569 AromaticContact CG-ND1 3.37Å; H432-H569 AromaticContact ND1-CE1 3.74Å; H432-H569 AromaticContact ND1-ND1 3.38Å; H432-H569 PolarHBondContact ND1-ND1 2.98Å; H432-H569 AromaticContact NE2-ND1 3.63Å; H432-Y953 HydrophobicContact CB-CE1 4.17Å; H432-I954 HydrophobicContact CB-CD1 3.92Å; H432-I954 HydrophobicContact CB-CG1 4.46Å
433	E	95.9	Very high	94.9	Very high	86 Å²	86	40.2 Å²	40.2	40%	0.402	21%	0.206	S	C	.	.	H	α-helix	trans	-65.3	-39.1	175.1	-62.4	-174.2	103	0	0	111.7	R422 D430 Q437	R422-E433 IonicContact CZ-OE1 3.39Å; R422-E433 IonicContact CZ-OE2 2.87Å; R422-E433 VanDerWaalsContact CZ-OE2 3.26Å; R422-E433 IonicContact NH1-OE1 3.09Å; R422-E433 PolarHBondContact NH1-OE1 3.28Å; R422-E433 IonicContact NH1-OE2 3.64Å; R422-E433 PolarHBondContact NH1-OE2 3.45Å; R422-E433 VanDerWaalsContact NH1-OE2 3.1Å; R422-E433 IonicContact NH2-OE1 2.72Å; R422-E433 IonicContact NH2-OE2 3.95Å; R422-E433 PolarHBondContact NH2-OE2 3.36Å; D430-E433 HydrophobicContact CB-CB 4.15Å; D430-E433 HydrophobicContact CB-CG 3.92Å; D430-E433 WeakPolarHBondContact CB-OE2 3.45Å; E433-Q437 WeakPolarHBondContact O-CB 3.5Å; E433-Q437 PolarHBondContact O-N 3.06Å; E433-Q437 VanDerWaalsContact O-N 3.1Å
434	F	97.6	Very high	95	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-43.9	172.9	-179.3	-100.7	0	0	0	112.2	Y353 M354 I357 I416 F423 D430 H432 Q437 C438	Y353-F434 HydrophobicContact CD2-CB 3.71Å; Y353-F434 HydrophobicContact CD2-CD1 4.3Å; Y353-F434 HydrophobicContact CD2-CD2 4.14Å; Y353-F434 AromaticContact CD2-CG 3.79Å; Y353-F434 HydrophobicContact CD2-CG 3.79Å; Y353-F434 HydrophobicContact CE2-CB 3.95Å; Y353-F434 AromaticContact CE2-CD2 3.62Å; Y353-F434 HydrophobicContact CE2-CD2 3.62Å; Y353-F434 HydrophobicContact CE2-CE2 4.24Å; Y353-F434 AromaticContact CE2-CG 3.77Å; Y353-F434 HydrophobicContact CE2-CG 3.77Å; M354-F434 HydrophobicContact CB-CD1 4.31Å; M354-F434 HydrophobicContact CB-CE1 3.79Å; M354-F434 HydrophobicContact CB-CE2 4.22Å; M354-F434 HydrophobicContact CB-CZ 3.75Å; M354-F434 HydrophobicContact CG-CE1 3.73Å; M354-F434 HydrophobicContact CG-CE2 4.24Å; M354-F434 HydrophobicContact CG-CZ 3.45Å; M354-F434 VanDerWaalsContact CG-CZ 3.45Å; M354-F434 HydrophobicContact SD-CZ 4.07Å; I357-F434 HydrophobicContact CB-CD1 4.01Å; I357-F434 HydrophobicContact CB-CE1 4.29Å; I357-F434 HydrophobicContact CG1-CD1 4.21Å; I357-F434 HydrophobicContact CG2-CD1 3.94Å; I357-F434 HydrophobicContact CG2-CE1 4.09Å; I416-F434 HydrophobicContact CB-CE2 4.22Å; I416-F434 HydrophobicContact CG1-CE2 3.89Å; I416-F434 HydrophobicContact CG1-CZ 4.26Å; I416-F434 HydrophobicContact CG2-CD2 4.22Å; I416-F434 HydrophobicContact CG2-CE2 3.89Å; F423-F434 AromaticContact CD1-CD2 3.96Å; F423-F434 HydrophobicContact CD1-CD2 3.96Å; F423-F434 HydrophobicContact CE1-CB 3.83Å; F423-F434 AromaticContact CE1-CD2 3.92Å; F423-F434 HydrophobicContact CE1-CD2 3.92Å; F423-F434 HydrophobicContact CE1-CG 4.38Å; F423-F434 HydrophobicContact CG-CD2 4.29Å; F423-F434 HydrophobicContact CZ-CB 4.03Å; F423-F434 HydrophobicContact CZ-CD2 4.21Å; D430-F434 PolarHBondContact O-N 3.48Å; D430-F434 VanDerWaalsContact O-N 3.16Å; H432-F434 PolarHBondContact O-N 3.29Å; F434-Q437 PolarHBondContact O-N 2.68Å; F434-C438 WeakPolarHBondContact CE1-SG 3.42Å; F434-C438 VanDerWaalsContact CZ-SG 3.52Å; F434-C438 PolarHBondContact O-N 3.44Å; F434-C438 PolarHBondContact O-SG 3.07Å
435	L	98.2	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.5	-51.6	174.9	174.3	59	0	0	0	111.3	I357 L361 A431 H432 Q437 C438 L439 I567 I954 F956	I357-L435 HydrophobicContact CD1-CB 3.82Å; I357-L435 HydrophobicContact CD1-CD2 4.15Å; I357-L435 HydrophobicContact CD1-CG 4.38Å; I357-L435 HydrophobicContact CG1-CB 4.29Å; I357-L435 HydrophobicContact CG2-CB 4.21Å; I357-L435 HydrophobicContact CG2-CD1 3.99Å; L361-L435 HydrophobicContact CD1-CD1 3.92Å; L361-L435 HydrophobicContact CD2-CD1 4.02Å; L361-L435 HydrophobicContact CG-CD1 4.21Å; A431-L435 VanDerWaalsContact O-CB 3.3Å; A431-L435 WeakPolarHBondContact O-CB 3.36Å; A431-L435 PolarHBondContact O-N 2.89Å; H432-L435 WeakPolarHBondContact O-CB 3.34Å; H432-L435 PolarHBondContact O-N 2.8Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 3.28Å; L435-C438 WeakPolarHBondContact O-CB 3.13Å; L435-C438 PolarHBondContact O-N 3.44Å; L435-C438 VanDerWaalsContact O-N 3.1Å; L435-L439 HydrophobicContact CD1-CD1 4.1Å; L435-L439 HydrophobicContact CD1-CD2 4.14Å; L435-L439 HydrophobicContact CD1-CG 3.95Å; L435-L439 HydrophobicContact CG-CD1 4.35Å; L435-L439 HydrophobicContact CG-CG 4.44Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.41Å; L435-I567 HydrophobicContact CD2-CD1 4.38Å; L435-I567 HydrophobicContact CD2-CG2 4.04Å; L435-I954 HydrophobicContact CD2-CD1 4.4Å; L435-I954 HydrophobicContact CD2-CG2 4.18Å; L435-F956 HydrophobicContact CD2-CZ 4.2Å
436	S	97.3	Very high	95.3	Very high	30 Å²	30	40.4 Å²	40.4	21%	0.21	19%	0.193	C	C	.	.	H	α-helix	trans	-55.6	-48.6	179.4	-56.6	0	0	0	0	111.1	H432 C438 L439 D440	H432-S436 WeakPolarHBondContact O-CB 3.49Å; H432-S436 PolarHBondContact O-N 2.83Å; H432-S436 PolarHBondContact O-OG 3.46Å; S436-C438 VanDerWaalsContact C-N 3.33Å; S436-C438 PolarHBondContact O-N 2.95Å; S436-L439 PolarHBondContact O-N 3.48Å; S436-D440 PolarHBondContact O-N 3.22Å
437	Q	97.8	Very high	95.3	Very high	55 Å²	55	37.9 Å²	37.9	26%	0.257	19%	0.186	S	C	.	.	H	α-helix	trans	-61.2	-37.6	177.4	-173.4	61.6	69	0	0	113	I416 A420 F423 E433 F434 L435 Q441	I416-Q437 HydrophobicContact CD1-CG 4.41Å; I416-Q437 HydrophobicContact CG2-CG 4.18Å; A420-Q437 HydrophobicContact CB-CG 3.85Å; F423-Q437 HydrophobicContact CE2-CB 4.08Å; F423-Q437 HydrophobicContact CE2-CG 4.04Å; E433-Q437 WeakPolarHBondContact O-CB 3.5Å; E433-Q437 PolarHBondContact O-N 3.06Å; E433-Q437 VanDerWaalsContact O-N 3.1Å; F434-Q437 PolarHBondContact O-N 2.68Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 3.28Å; Q437-Q441 VanDerWaalsContact O-CB 3.3Å; Q437-Q441 WeakPolarHBondContact O-CB 3.3Å; Q437-Q441 PolarHBondContact O-N 3.14Å
438	C	98	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-46	173.6	-70.5	0	0	0	0	112	L386 F390 F434 L435 S436 Q441 L442	L386-C438 HydrophobicContact CD2-CB 4.37Å; F390-C438 HydrophobicContact CZ-CB 4.11Å; F434-C438 WeakPolarHBondContact CE1-SG 3.42Å; F434-C438 VanDerWaalsContact CZ-SG 3.52Å; F434-C438 PolarHBondContact O-N 3.44Å; F434-C438 PolarHBondContact O-SG 3.07Å; L435-C438 WeakPolarHBondContact O-CB 3.13Å; L435-C438 PolarHBondContact O-N 3.44Å; L435-C438 VanDerWaalsContact O-N 3.1Å; S436-C438 VanDerWaalsContact C-N 3.33Å; S436-C438 PolarHBondContact O-N 2.95Å; C438-Q441 PolarHBondContact O-N 3Å; C438-L442 WeakPolarHBondContact O-CB 3.37Å; C438-L442 WeakPolarHBondContact O-CG 3.34Å; C438-L442 PolarHBondContact O-N 3.46Å
439	L	97.8	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-44	-176.6	-63.7	-167.8	0	0	0	111.8	L361 L435 S436 L442 K443 V482 L486 N510 I567	L361-L439 HydrophobicContact CD1-CD2 4.46Å; L361-L439 HydrophobicContact CD2-CD2 4.26Å; L435-L439 HydrophobicContact CD1-CD1 4.1Å; L435-L439 HydrophobicContact CD1-CD2 4.14Å; L435-L439 HydrophobicContact CD1-CG 3.95Å; L435-L439 HydrophobicContact CG-CD1 4.35Å; L435-L439 HydrophobicContact CG-CG 4.44Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.41Å; S436-L439 PolarHBondContact O-N 3.48Å; L439-L442 PolarHBondContact O-N 2.83Å; L439-K443 WeakPolarHBondContact O-CG 3.26Å; L439-K443 PolarHBondContact O-N 3.26Å; L439-V482 HydrophobicContact CB-CG1 4.03Å; L439-V482 HydrophobicContact CD2-CG1 4.26Å; L439-V482 HydrophobicContact CD2-CG2 4.08Å; L439-V482 HydrophobicContact CG-CG1 4.48Å; L439-L486 HydrophobicContact CD1-CD1 3.79Å; L439-L486 HydrophobicContact CD2-CD1 3.53Å; L439-L486 HydrophobicContact CG-CD1 4.32Å; L439-N510 HydrophobicContact CD1-CB 3.77Å; L439-I567 HydrophobicContact CD1-CD1 4.35Å
440	D	96.6	Very high	95	Very high	88 Å²	88	33.4 Å²	33.4	47%	0.471	16%	0.162	S	C	.	.	H	α-helix	trans	-68.4	-40.2	179.2	-71.6	-16.5	0	0	0	112	S436 L442 K443 E444 N510	S436-D440 PolarHBondContact O-N 3.22Å; D440-L442 PolarHBondContact O-N 3.21Å; D440-K443 WeakPolarHBondContact O-CB 3.45Å; D440-K443 PolarHBondContact O-N 2.88Å; D440-E444 PolarHBondContact O-N 3.45Å; D440-N510 PolarHBondContact OD1-ND2 3.31Å
441	Q	97	Very high	94.7	Very high	19 Å²	19	37.6 Å²	37.6	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-36.1	176	-169.2	62.5	56.8	0	0	112.4	L386 T419 Q437 C438 K443 E444 D445	L386-Q441 HydrophobicContact CB-CG 3.8Å; L386-Q441 HydrophobicContact CD2-CB 3.69Å; L386-Q441 HydrophobicContact CD2-CG 3.88Å; L386-Q441 HydrophobicContact CG-CG 4.5Å; T419-Q441 PolarHBondContact OG1-OE1 2.59Å; Q437-Q441 VanDerWaalsContact O-CB 3.3Å; Q437-Q441 WeakPolarHBondContact O-CB 3.3Å; Q437-Q441 PolarHBondContact O-N 3.14Å; C438-Q441 PolarHBondContact O-N 3Å; Q441-K443 VanDerWaalsContact C-N 3.34Å; Q441-E444 PolarHBondContact NE2-OE2 2.74Å; Q441-E444 PolarHBondContact O-N 2.86Å; Q441-D445 PolarHBondContact NE2-OD1 2.81Å; Q441-D445 WeakPolarHBondContact O-CB 3.34Å; Q441-D445 VanDerWaalsContact O-CG 3.29Å; Q441-D445 PolarHBondContact O-N 2.86Å
442	L	96.3	Very high	94.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-32.5	173.4	-73.6	174.1	0	0	0	112.8	F367 L386 I387 F390 C438 L439 D440 M446 V482	F367-L442 HydrophobicContact CE2-CD1 4.15Å; F367-L442 HydrophobicContact CZ-CD1 3.72Å; L386-L442 HydrophobicContact CD2-CD2 4.23Å; L386-L442 HydrophobicContact CD2-CG 4Å; L386-L442 HydrophobicContact CG-CD2 4.25Å; I387-L442 HydrophobicContact CB-CD2 3.84Å; I387-L442 HydrophobicContact CG1-CD2 4.1Å; F390-L442 HydrophobicContact CD2-CD1 3.89Å; F390-L442 HydrophobicContact CD2-CD2 4.19Å; F390-L442 HydrophobicContact CE2-CD1 3.82Å; F390-L442 HydrophobicContact CG-CD2 4.34Å; C438-L442 WeakPolarHBondContact O-CB 3.37Å; C438-L442 WeakPolarHBondContact O-CG 3.34Å; C438-L442 PolarHBondContact O-N 3.46Å; L439-L442 PolarHBondContact O-N 2.83Å; D440-L442 PolarHBondContact O-N 3.21Å; L442-M446 WeakPolarHBondContact O-CB 3.38Å; L442-M446 PolarHBondContact O-N 2.8Å; L442-V482 HydrophobicContact CB-CG2 3.63Å; L442-V482 HydrophobicContact CD1-CG2 4.05Å
443	K	95.4	Very high	93.1	Very high	43 Å²	43	43.7 Å²	43.7	19%	0.187	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-49.4	169.7	-71.5	-172.2	-172.7	-170.2	0	110.6	L439 D440 Q441 M446 E447 V482 I483 E487 N510	L439-K443 WeakPolarHBondContact O-CG 3.26Å; L439-K443 PolarHBondContact O-N 3.26Å; D440-K443 WeakPolarHBondContact O-CB 3.45Å; D440-K443 PolarHBondContact O-N 2.88Å; Q441-K443 VanDerWaalsContact C-N 3.34Å; K443-M446 PolarHBondContact O-N 3.41Å; K443-E447 WeakPolarHBondContact O-CB 3.42Å; K443-E447 PolarHBondContact O-N 3.35Å; K443-V482 HydrophobicContact CD-CG1 4.35Å; K443-V482 VanDerWaalsContact CE-CG1 3.44Å; K443-V482 HydrophobicContact CG-CB 3.97Å; K443-V482 HydrophobicContact CG-CG1 4.04Å; K443-V482 HydrophobicContact CG-CG2 4.46Å; K443-I483 HydrophobicContact CD-CG1 4.3Å; K443-I483 HydrophobicContact CG-CG1 4.26Å; K443-E487 IonicContact NZ-OE2 3Å; K443-E487 PolarHBondContact NZ-OE2 2.86Å; K443-N510 WeakPolarHBondContact CE-OD1 3.14Å; K443-N510 PolarHBondContact NZ-OD1 3.46Å
444	E	95.3	Very high	91.9	Very high	80 Å²	80	45.8 Å²	45.8	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-45.2	-176.8	-157.5	-146.3	-172.5	0	0	112.4	D440 Q441 M446 E447 K448	D440-E444 PolarHBondContact O-N 3.45Å; Q441-E444 PolarHBondContact NE2-OE2 2.74Å; Q441-E444 PolarHBondContact O-N 2.86Å; E444-M446 VanDerWaalsContact C-N 3.33Å; E444-M446 PolarHBondContact O-N 2.88Å; E444-E447 PolarHBondContact O-N 3Å; E444-K448 HydrophobicContact CG-CD 4.42Å; E444-K448 WeakPolarHBondContact O-CB 3.26Å; E444-K448 VanDerWaalsContact O-CG 3.29Å; E444-K448 WeakPolarHBondContact O-CG 3.45Å; E444-K448 PolarHBondContact O-N 3.46Å; E444-K448 WeakPolarHBondContact OE1-CE 3.5Å; E444-K448 IonicContact OE1-NZ 3.6Å; E444-K448 PolarHBondContact OE1-NZ 2.96Å; E444-K448 IonicContact OE2-NZ 3.82Å; E444-K448 PolarHBondContact OE2-NZ 3.16Å
445	D	94.2	Very high	90.3	Very high	18 Å²	18	49.8 Å²	49.8	10%	0.096	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-44	175.3	-78.3	5.5	0	0	0	111.7	L386 I387 Q441 L449	L386-D445 WeakPolarHBondContact CA-OD2 3.28Å; L386-D445 PolarHBondContact N-OD2 2.68Å; I387-D445 HydrophobicContact CB-CB 4Å; I387-D445 HydrophobicContact CG2-CB 3.7Å; I387-D445 PolarHBondContact N-OD2 2.85Å; Q441-D445 PolarHBondContact NE2-OD1 2.81Å; Q441-D445 WeakPolarHBondContact O-CB 3.34Å; Q441-D445 VanDerWaalsContact O-CG 3.29Å; Q441-D445 PolarHBondContact O-N 2.86Å; D445-L449 PolarHBondContact O-N 3.43Å
446	M	91.9	Very high	88.2	Confident	1 Å²	1	55 Å²	55	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-73.3	-33	179.6	-174.7	63.4	88.4	0	0	112.4	I376 I387 L442 K443 E444 L449 N450 Y478 C480	I376-M446 HydrophobicContact CD1-CE 4Å; I387-M446 HydrophobicContact CD1-CB 4.33Å; I387-M446 HydrophobicContact CD1-CE 3.55Å; I387-M446 HydrophobicContact CD1-SD 4.31Å; L442-M446 WeakPolarHBondContact O-CB 3.38Å; L442-M446 PolarHBondContact O-N 2.8Å; K443-M446 PolarHBondContact O-N 3.41Å; E444-M446 VanDerWaalsContact C-N 3.33Å; E444-M446 PolarHBondContact O-N 2.88Å; M446-L449 HydrophobicContact SD-CD2 3.87Å; M446-N450 WeakPolarHBondContact O-CB 3.42Å; M446-N450 PolarHBondContact O-N 3.42Å; M446-N450 PolarHBondContact O-ND2 2.77Å; M446-Y478 VanDerWaalsContact SD-CB 3.56Å; M446-C480 HydrophobicContact CB-CB 4.11Å; M446-C480 HydrophobicContact CG-CB 3.66Å
447	E	91.8	Very high	85.9	Confident	103 Å²	103	58.9 Å²	58.9	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-41.5	174.2	-156.2	-148.2	-176.5	0	0	110.7	K443 E444 N450 K451	K443-E447 WeakPolarHBondContact O-CB 3.42Å; K443-E447 PolarHBondContact O-N 3.35Å; E444-E447 PolarHBondContact O-N 3Å; E447-N450 PolarHBondContact O-N 3.1Å; E447-K451 HydrophobicContact CG-CD 4.44Å; E447-K451 WeakPolarHBondContact O-CB 3.42Å; E447-K451 VanDerWaalsContact O-CG 3.29Å; E447-K451 WeakPolarHBondContact O-CG 3.35Å; E447-K451 PolarHBondContact O-N 2.87Å; E447-K451 WeakPolarHBondContact OE1-CE 3.33Å; E447-K451 IonicContact OE1-NZ 2.72Å; E447-K451 PolarHBondContact OE1-NZ 3.34Å; E447-K451 IonicContact OE2-NZ 3.7Å; E447-K451 PolarHBondContact OE2-NZ 3.45Å
448	K	90.8	Very high	83.3	Confident	99 Å²	99	61.8 Å²	61.8	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-58	-48.4	171.7	-74.4	166.7	177.4	170.7	0	111.7	E444 N450 K451 T452	E444-K448 HydrophobicContact CG-CD 4.42Å; E444-K448 WeakPolarHBondContact O-CB 3.26Å; E444-K448 VanDerWaalsContact O-CG 3.29Å; E444-K448 WeakPolarHBondContact O-CG 3.45Å; E444-K448 PolarHBondContact O-N 3.46Å; E444-K448 WeakPolarHBondContact OE1-CE 3.5Å; E444-K448 IonicContact OE1-NZ 3.6Å; E444-K448 PolarHBondContact OE1-NZ 2.96Å; E444-K448 IonicContact OE2-NZ 3.82Å; E444-K448 PolarHBondContact OE2-NZ 3.16Å; K448-N450 PolarHBondContact O-N 3.23Å; K448-K451 PolarHBondContact O-N 3.48Å; K448-T452 PolarHBondContact O-N 3.38Å; K448-T452 PolarHBondContact O-OG1 3.16Å
449	L	87.8	Confident	80.7	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-45.7	175.6	176.7	65.3	0	0	0	112.3	I376 P377 I381 D445 M446 K451 T452 W453 Y478	I376-L449 HydrophobicContact CG2-CD2 4.01Å; P377-L449 HydrophobicContact CG-CD1 4.31Å; I381-L449 HydrophobicContact CD1-CD1 4.12Å; I381-L449 HydrophobicContact CD1-CD2 3.9Å; I381-L449 HydrophobicContact CG1-CD1 3.98Å; D445-L449 PolarHBondContact O-N 3.43Å; M446-L449 HydrophobicContact SD-CD2 3.87Å; L449-K451 VanDerWaalsContact C-N 3.3Å; L449-K451 PolarHBondContact O-N 3.39Å; L449-T452 PolarHBondContact O-N 3.22Å; L449-T452 PolarHBondContact O-OG1 2.71Å; L449-T452 VanDerWaalsContact O-OG1 3.08Å; L449-W453 VanDerWaalsContact O-CB 3.31Å; L449-W453 WeakPolarHBondContact O-CB 3.33Å; L449-W453 PolarHBondContact O-N 3.49Å; L449-Y478 HydrophobicContact CD2-CD2 4.02Å; L449-Y478 HydrophobicContact CD2-CG 4.21Å; L449-Y478 HydrophobicContact CG-CD2 4.26Å
450	N	88.8	Confident	77.9	Confident	18 Å²	18	72.9 Å²	72.9	10%	0.096	39%	0.391	C	S	.	.	H	α-helix	trans	-71.1	-25	179.4	-81.7	-59.2	0	0	0	113.1	M446 E447 K448 K454 V477 Y478	M446-N450 WeakPolarHBondContact O-CB 3.42Å; M446-N450 PolarHBondContact O-N 3.42Å; M446-N450 PolarHBondContact O-ND2 2.77Å; E447-N450 PolarHBondContact O-N 3.1Å; K448-N450 PolarHBondContact O-N 3.23Å; N450-K454 WeakPolarHBondContact O-CB 3.31Å; N450-K454 WeakPolarHBondContact O-CD 3.48Å; N450-K454 WeakPolarHBondContact O-CG 3.45Å; N450-K454 PolarHBondContact O-N 3.31Å; N450-V477 WeakPolarHBondContact OD1-CA 3.19Å; N450-V477 VanDerWaalsContact OD1-CG1 3.32Å; N450-V477 WeakPolarHBondContact OD1-CG1 3.26Å; N450-Y478 PolarHBondContact ND2-O 3.18Å; N450-Y478 PolarHBondContact OD1-N 2.8Å
451	K	87.9	Confident	75.5	Confident	115 Å²	115	77.2 Å²	77.2	50%	0.5	41%	0.408	S	S	.	.	H	α-helix	trans	-70.9	-51.1	170.8	-77.6	166.9	177.2	169	0	110.8	E447 K448 L449 W453 K454 S455	E447-K451 HydrophobicContact CG-CD 4.44Å; E447-K451 WeakPolarHBondContact O-CB 3.42Å; E447-K451 VanDerWaalsContact O-CG 3.29Å; E447-K451 WeakPolarHBondContact O-CG 3.35Å; E447-K451 PolarHBondContact O-N 2.87Å; E447-K451 WeakPolarHBondContact OE1-CE 3.33Å; E447-K451 IonicContact OE1-NZ 2.72Å; E447-K451 PolarHBondContact OE1-NZ 3.34Å; E447-K451 IonicContact OE2-NZ 3.7Å; E447-K451 PolarHBondContact OE2-NZ 3.45Å; K448-K451 PolarHBondContact O-N 3.48Å; L449-K451 VanDerWaalsContact C-N 3.3Å; L449-K451 PolarHBondContact O-N 3.39Å; K451-W453 PolarHBondContact O-N 3.07Å; K451-K454 PolarHBondContact O-N 2.88Å; K451-S455 PolarHBondContact O-N 3.11Å; K451-S455 PolarHBondContact O-OG 3.28Å
452	T	82.9	Confident	72.8	Confident	79 Å²	79	83.9 Å²	83.9	49%	0.485	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-41.7	-179.8	54.8	0	0	0	0	112.2	K448 L449 K454 S455 E456	K448-T452 PolarHBondContact O-N 3.38Å; K448-T452 PolarHBondContact O-OG1 3.16Å; L449-T452 PolarHBondContact O-N 3.22Å; L449-T452 PolarHBondContact O-OG1 2.71Å; L449-T452 VanDerWaalsContact O-OG1 3.08Å; T452-K454 VanDerWaalsContact C-N 3.31Å; T452-K454 PolarHBondContact O-N 2.88Å; T452-S455 WeakPolarHBondContact CA-OG 3.37Å; T452-S455 PolarHBondContact O-N 3.06Å; T452-S455 PolarHBondContact O-OG 2.88Å; T452-E456 PolarHBondContact O-N 2.94Å
453	W	75.8	Confident	70.3	Confident	73 Å²	73	92.1 Å²	92.1	28%	0.277	49%	0.489	S	S	.	.	H	α-helix	trans	-69.5	-24.2	178.6	-159.9	-92.7	0	0	0	113.9	P377 K380 L449 K451 S455 Y478	P377-W453 HydrophobicContact CB-CH2 4.37Å; P377-W453 HydrophobicContact CB-CZ3 3.95Å; P377-W453 HydrophobicContact CG-CE3 3.89Å; P377-W453 HydrophobicContact CG-CH2 4.26Å; P377-W453 HydrophobicContact CG-CZ3 3.59Å; K380-W453 HydrophobicContact CD-CE3 4.43Å; K380-W453 HydrophobicContact CD-CZ3 3.97Å; L449-W453 VanDerWaalsContact O-CB 3.31Å; L449-W453 WeakPolarHBondContact O-CB 3.33Å; L449-W453 PolarHBondContact O-N 3.49Å; K451-W453 PolarHBondContact O-N 3.07Å; W453-S455 VanDerWaalsContact C-N 3.33Å; W453-Y478 HydrophobicContact CD2-CE2 4.14Å; W453-Y478 HydrophobicContact CG-CE2 4.04Å
454	K	70.6	Confident	67.4	Low	129 Å²	129	94.9 Å²	94.9	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-81.3	-10.9	170.7	-75.3	174.3	-175.7	179.5	0	113.8	N450 K451 T452 T475	N450-K454 WeakPolarHBondContact O-CB 3.31Å; N450-K454 WeakPolarHBondContact O-CD 3.48Å; N450-K454 WeakPolarHBondContact O-CG 3.45Å; N450-K454 PolarHBondContact O-N 3.31Å; K451-K454 PolarHBondContact O-N 2.88Å; T452-K454 VanDerWaalsContact C-N 3.31Å; T452-K454 PolarHBondContact O-N 2.88Å; K454-T475 HydrophobicContact CG-CG2 3.95Å
455	S	63.7	Low	65	Low	85 Å²	85	97.9 Å²	97.9	59%	0.594	54%	0.54	S	S	*	.	S	Bend	trans	-105.2	-2.2	-176.6	60.9	0	0	0	0	115	K451 T452 W453 P457	K451-S455 PolarHBondContact O-N 3.11Å; K451-S455 PolarHBondContact O-OG 3.28Å; T452-S455 WeakPolarHBondContact CA-OG 3.37Å; T452-S455 PolarHBondContact O-N 3.06Å; T452-S455 PolarHBondContact O-OG 2.88Å; W453-S455 VanDerWaalsContact C-N 3.33Å; S455-P457 WeakPolarHBondContact O-CD 3.44Å
456	E	53.8	Low	62.5	Low	111 Å²	111	99.6 Å²	99.6	52%	0.519	56%	0.562	S	S	.	*			trans	-83.8	110.9	168.5	-79.4	-177.4	-165	0	0	109.9	K380 T452	K380-E456 IonicContact NZ-OE1 3.8Å; K380-E456 PolarHBondContact NZ-OE1 2.84Å; K380-E456 IonicContact NZ-OE2 3.09Å; K380-E456 PolarHBondContact NZ-OE2 3.01Å; T452-E456 PolarHBondContact O-N 2.94Å
457	P	49.1	Very low	59.8	Low	110 Å²	110	111.2 Å²	111.2	71%	0.714	61%	0.606	S	S	*	*			trans	-69.5	142.8	165.2	31.2	-33.5	0	0	0	109.1	S455	S455-P457 WeakPolarHBondContact O-CD 3.44Å
458	V	44.1	Very low	57.5	Low	117 Å²	117	111.8 Å²	111.8	71%	0.709	63%	0.628	S	S	*	*			trans	-61.4	130.5	167.6	-179.3	0	0	0	0	108	S460	V458-S460 PolarHBondContact O-N 3.1Å
459	P	43	Very low	54.9	Low	118 Å²	118	112.1 Å²	112.1	77%	0.766	64%	0.642	S	S	*	*			trans	-65.7	101	171.2	-16.4	30.3	0	0	0	109.1	E461	P459-E461 PolarHBondContact O-N 3.39Å
460	S	40.1	Very low	52.8	Low	114 Å²	114	118.9 Å²	118.9	80%	0.797	68%	0.679	S	S	*	*			trans	-80.2	91.4	173.9	57.9	0	0	0	0	109.4	V458	V458-S460 PolarHBondContact O-N 3.1Å
461	E	45.9	Very low	50.4	Low	179 Å²	179	124.8 Å²	124.8	84%	0.836	71%	0.71	S	S	*	*			trans	-72	162.2	155.5	-63	-159.1	132.2	0	0	110.1	P459	P459-E461 PolarHBondContact O-N 3.39Å
462	D	39.4	Very low	48.4	Very low	160 Å²	160	126.1 Å²	126.1	86%	0.856	72%	0.722	S	S	*	*			trans	61.9	106.3	-175.3	-71.3	-18.9	0	0	0	119.1	S464	D462-S464 PolarHBondContact O-N 2.95Å
463	N	43.4	Very low	46.5	Very low	173 Å²	173	126.6 Å²	126.6	93%	0.925	73%	0.728	S	S	*	*			trans	-71.5	109.6	164.8	-73.2	-79.8	0	0	0	110.7
464	S	36.1	Very low	45	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	75%	0.75	S	S	*	*			trans	-137.5	110.1	161.5	74.3	0	0	0	0	111.8	D462 G466	D462-S464 PolarHBondContact O-N 2.95Å; S464-G466 PolarHBondContact O-N 3.35Å
465	P	44.6	Very low	44.3	Very low	143 Å²	143	125 Å²	125	93%	0.929	75%	0.747	S	S	*	*			trans	-84.5	78.4	-177.9	32.9	-33.6	0	0	0	110.6
466	G	42.2	Very low	44.5	Very low	54 Å²	54	126 Å²	126	56%	0.557	74%	0.741	S	S	*	*			trans	-157.6	19.1	-160.7	0	0	0	0	0	121.7	S464	S464-G466 PolarHBondContact O-N 3.35Å
467	R	34	Very low	45.8	Very low	245 Å²	245	124.5 Å²	124.5	93%	0.925	74%	0.739	S	S	*	*			trans	-172.2	123	156.6	-102.6	147	-146.3	-116.5	6.5	112
468	A	43.7	Very low	47.6	Very low	115 Å²	115	119.7 Å²	119.7	95%	0.95	71%	0.706	S	S	*	*			trans	-79.3	115.7	159.6	0	0	0	0	0	108.3
469	S	36.8	Very low	49.8	Very low	105 Å²	105	117.4 Å²	117.4	73%	0.734	69%	0.693	S	S	*	*			trans	-140.3	132.8	173.1	-173.6	0	0	0	0	107.5	D471	S469-D471 PolarHBondContact O-N 2.93Å
470	D	43.4	Very low	52.2	Low	153 Å²	153	112.4 Å²	112.4	82%	0.818	66%	0.66	S	S	*	*			trans	-67.8	104.8	174.2	-77	-57.8	0	0	0	109.8
471	D	38.3	Very low	54.7	Low	141 Å²	141	107 Å²	107	75%	0.754	62%	0.622	S	S	*	*			trans	-135.1	84.9	157.5	-165.6	7.9	0	0	0	108.9	S469 S473	S469-D471 PolarHBondContact O-N 2.93Å; D471-S473 PolarHBondContact O-N 2.8Å
472	L	46.2	Very low	57.1	Low	144 Å²	144	98.4 Å²	98.4	75%	0.754	58%	0.582	S	S	*	*			trans	-69.4	89.7	169.4	-79	87	0	0	0	107.8	A474	L472-A474 PolarHBondContact O-N 2.73Å
473	S	42.4	Very low	59.8	Low	88 Å²	88	94 Å²	94	62%	0.615	56%	0.558	S	S	*	*			trans	-47.3	108.1	179.2	57	0	0	0	0	110.5	D471 T475	D471-S473 PolarHBondContact O-N 2.8Å; S473-T475 VanDerWaalsContact C-N 3.34Å; S473-T475 PolarHBondContact O-N 3.16Å; S473-T475 PolarHBondContact O-OG1 2.76Å
474	A	44.1	Very low	62.2	Low	89 Å²	89	86 Å²	86	74%	0.736	52%	0.516	S	S	*	.			trans	-70.2	89.9	-166.1	0	0	0	0	0	110.2	L472 K476	L472-A474 PolarHBondContact O-N 2.73Å; A474-K476 PolarHBondContact O-N 3.32Å
475	T	56.8	Low	65	Low	80 Å²	80	81.2 Å²	81.2	49%	0.491	48%	0.482	S	S	.	.			trans	-56.6	106.6	-173.9	-38.7	0	0	0	0	109.3	K454 S473 V477	K454-T475 HydrophobicContact CG-CG2 3.95Å; S473-T475 VanDerWaalsContact C-N 3.34Å; S473-T475 PolarHBondContact O-N 3.16Å; S473-T475 PolarHBondContact O-OG1 2.76Å; T475-V477 WeakPolarHBondContact O-CG2 3.46Å; T475-V477 PolarHBondContact O-N 2.94Å
476	K	66.3	Low	67.5	Low	107 Å²	107	74.4 Å²	74.4	47%	0.465	44%	0.438	S	S	.	.			trans	-62.6	102.7	-170.9	-174.5	-177.9	174.8	-176.2	0	110.3	Q374 A474 Y478	Q374-K476 PolarHBondContact O-NZ 3.1Å; A474-K476 PolarHBondContact O-N 3.32Å; K476-Y478 HydrophobicContact CD-CE1 4.29Å
477	V	81.4	Confident	70.2	Confident	78 Å²	78	72.5 Å²	72.5	47%	0.473	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-84.3	126.4	174	-174.3	0	0	0	0	108.6	N450 T475	N450-V477 WeakPolarHBondContact OD1-CA 3.19Å; N450-V477 VanDerWaalsContact OD1-CG1 3.32Å; N450-V477 WeakPolarHBondContact OD1-CG1 3.26Å; T475-V477 WeakPolarHBondContact O-CG2 3.46Å; T475-V477 PolarHBondContact O-N 2.94Å
478	Y	87.3	Confident	73.2	Confident	10 Å²	10	60.8 Å²	60.8	4%	0.039	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-80.1	129.7	174.3	-62.6	-81.8	0	0	0	109.6	Q374 G375 I376 P377 M446 L449 N450 W453 K476 C480	Q374-Y478 HydrophobicContact CB-CD1 4.49Å; G375-Y478 WeakPolarHBondContact O-CE1 3.42Å; I376-Y478 HydrophobicContact CG1-CD1 3.67Å; I376-Y478 HydrophobicContact CG1-CE1 4.11Å; I376-Y478 HydrophobicContact CG1-CG 4.35Å; P377-Y478 WeakPolarHBondContact CD-OH 3.15Å; M446-Y478 VanDerWaalsContact SD-CB 3.56Å; L449-Y478 HydrophobicContact CD2-CD2 4.02Å; L449-Y478 HydrophobicContact CD2-CG 4.21Å; L449-Y478 HydrophobicContact CG-CD2 4.26Å; N450-Y478 PolarHBondContact ND2-O 3.18Å; N450-Y478 PolarHBondContact OD1-N 2.8Å; W453-Y478 HydrophobicContact CD2-CE2 4.14Å; W453-Y478 HydrophobicContact CG-CE2 4.04Å; K476-Y478 HydrophobicContact CD-CE1 4.29Å; Y478-C480 PolarHBondContact O-N 2.92Å
479	T	89.6	Confident	75.7	Confident	69 Å²	69	56.4 Å²	56.4	42%	0.423	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-79.8	117.5	-176.6	-72.7	0	0	0	0	109.3	Q374	Q374-T479 PolarHBondContact NE2-O 2.87Å; Q374-T479 PolarHBondContact OE1-O 3.39Å
480	C	93.1	Very high	78.6	Confident	12 Å²	12	51.5 Å²	51.5	8%	0.081	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-64.5	123.6	179.6	-180	0	0	0	0	110.9	M446 Y478 V482 I483 S484	M446-C480 HydrophobicContact CB-CB 4.11Å; M446-C480 HydrophobicContact CG-CB 3.66Å; Y478-C480 PolarHBondContact O-N 2.92Å; C480-V482 PolarHBondContact O-N 3.39Å; C480-I483 HydrophobicContact CB-CB 3.99Å; C480-I483 HydrophobicContact CB-CD1 3.84Å; C480-I483 HydrophobicContact CB-CG1 3.84Å; C480-I483 PolarHBondContact O-N 3.14Å; C480-I483 VanDerWaalsContact O-N 3.16Å; C480-S484 PolarHBondContact O-N 3Å; C480-S484 PolarHBondContact O-OG 3.38Å
481	P	93.9	Very high	81.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-27.3	-176.3	27.3	-36.6	0	0	0	112.5	F367 D370 L371 S484 N485	F367-P481 HydrophobicContact CD2-CB 3.68Å; F367-P481 HydrophobicContact CD2-CG 4.5Å; F367-P481 HydrophobicContact CE2-CB 3.91Å; F367-P481 HydrophobicContact CE2-CG 4.24Å; F367-P481 HydrophobicContact CG-CB 4.2Å; D370-P481 HydrophobicContact CB-CB 3.78Å; L371-P481 HydrophobicContact CD2-CG 3.91Å; L371-P481 HydrophobicContact CG-CB 4.31Å; L371-P481 HydrophobicContact CG-CG 4.06Å; P481-S484 WeakPolarHBondContact CA-OG 3.42Å; P481-S484 PolarHBondContact O-OG 3.45Å; P481-N485 VanDerWaalsContact O-CB 3.32Å; P481-N485 WeakPolarHBondContact O-CB 3.41Å; P481-N485 PolarHBondContact O-N 3.38Å; P481-N485 PolarHBondContact O-ND2 3.11Å
482	V	96.4	Very high	83.9	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.1	-49	174.9	-174.5	0	0	0	0	110.7	F367 L439 L442 K443 C480 S484 N485 L486 E487	F367-V482 HydrophobicContact CE2-CG2 4.28Å; L439-V482 HydrophobicContact CB-CG1 4.03Å; L439-V482 HydrophobicContact CD2-CG1 4.26Å; L439-V482 HydrophobicContact CD2-CG2 4.08Å; L439-V482 HydrophobicContact CG-CG1 4.48Å; L442-V482 HydrophobicContact CB-CG2 3.63Å; L442-V482 HydrophobicContact CD1-CG2 4.05Å; K443-V482 HydrophobicContact CD-CG1 4.35Å; K443-V482 VanDerWaalsContact CE-CG1 3.44Å; K443-V482 HydrophobicContact CG-CB 3.97Å; K443-V482 HydrophobicContact CG-CG1 4.04Å; K443-V482 HydrophobicContact CG-CG2 4.46Å; C480-V482 PolarHBondContact O-N 3.39Å; V482-S484 PolarHBondContact O-N 3.06Å; V482-N485 PolarHBondContact O-N 2.82Å; V482-L486 HydrophobicContact CG1-CB 4.4Å; V482-L486 HydrophobicContact CG1-CD1 4.38Å; V482-L486 WeakPolarHBondContact O-CA 3.45Å; V482-L486 WeakPolarHBondContact O-CB 3.34Å; V482-L486 PolarHBondContact O-N 3.45Å; V482-E487 PolarHBondContact O-N 3.38Å; V482-E487 VanDerWaalsContact O-N 3.14Å
483	I	94.8	Very high	86.2	Confident	66 Å²	66	35 Å²	35	34%	0.338	21%	0.208	S	C	.	.	H	α-helix	trans	-65.7	-38.9	-177.8	-59.6	179.1	0	0	0	111.3	K443 C480	K443-I483 HydrophobicContact CD-CG1 4.3Å; K443-I483 HydrophobicContact CG-CG1 4.26Å; C480-I483 HydrophobicContact CB-CB 3.99Å; C480-I483 HydrophobicContact CB-CD1 3.84Å; C480-I483 HydrophobicContact CB-CG1 3.84Å; C480-I483 PolarHBondContact O-N 3.14Å; C480-I483 VanDerWaalsContact O-N 3.16Å
484	S	93.9	Very high	88.8	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-75.3	-26.9	-178.6	56.4	0	0	0	0	114.3	D370 C480 P481 V482 R564	D370-S484 PolarHBondContact OD2-OG 2.75Å; C480-S484 PolarHBondContact O-N 3Å; C480-S484 PolarHBondContact O-OG 3.38Å; P481-S484 WeakPolarHBondContact CA-OG 3.42Å; P481-S484 PolarHBondContact O-OG 3.45Å; V482-S484 PolarHBondContact O-N 3.06Å; S484-R564 WeakPolarHBondContact O-CD 3.47Å; S484-R564 PolarHBondContact O-NE 3.42Å
485	N	96.3	Very high	91.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-110.7	-42.2	-173.3	-63	-79.1	0	0	0	114	S366 F367 D370 P481 V482 R564 V565	S366-N485 WeakPolarHBondContact CB-OD1 3.21Å; S366-N485 PolarHBondContact OG-OD1 2.76Å; F367-N485 WeakPolarHBondContact CA-ND2 3.38Å; D370-N485 PolarHBondContact OD2-ND2 2.84Å; P481-N485 VanDerWaalsContact O-CB 3.32Å; P481-N485 WeakPolarHBondContact O-CB 3.41Å; P481-N485 PolarHBondContact O-N 3.38Å; P481-N485 PolarHBondContact O-ND2 3.11Å; V482-N485 PolarHBondContact O-N 2.82Å; N485-R564 WeakPolarHBondContact O-CA 3.43Å; N485-R564 WeakPolarHBondContact O-CB 3.32Å; N485-R564 PolarHBondContact O-N 2.74Å; N485-R564 VanDerWaalsContact OD1-CD 3.26Å; N485-R564 WeakPolarHBondContact OD1-CD 3.44Å; N485-R564 PolarHBondContact OD1-NH1 3.48Å; N485-V565 PolarHBondContact O-N 3.25Å
486	L	97.6	Very high	93.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-26.7	-164.9	-50.5	-178.5	0	0	0	113.3	L361 I364 L439 V482 F488 V565 I567	L361-L486 HydrophobicContact CD2-CD1 4.23Å; I364-L486 HydrophobicContact CD1-CD2 4.14Å; L439-L486 HydrophobicContact CD1-CD1 3.79Å; L439-L486 HydrophobicContact CD2-CD1 3.53Å; L439-L486 HydrophobicContact CG-CD1 4.32Å; V482-L486 HydrophobicContact CG1-CB 4.4Å; V482-L486 HydrophobicContact CG1-CD1 4.38Å; V482-L486 WeakPolarHBondContact O-CA 3.45Å; V482-L486 WeakPolarHBondContact O-CB 3.34Å; V482-L486 PolarHBondContact O-N 3.45Å; L486-F488 WeakPolarHBondContact O-CD1 3.46Å; L486-V565 HydrophobicContact CD2-CB 3.88Å; L486-V565 HydrophobicContact CD2-CG1 4.31Å; L486-I567 HydrophobicContact CD1-CD1 3.99Å; L486-I567 HydrophobicContact CD2-CD1 4.04Å; L486-I567 HydrophobicContact CD2-CG1 4.45Å; L486-I567 HydrophobicContact CG-CD1 4.44Å
487	E	97.1	Very high	94.5	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.065	14%	0.143	C	C	.	.			trans	-79.4	131.8	-173.6	-171.2	-168.5	88.6	0	0	112.8	K443 V482 F509 R561	K443-E487 IonicContact NZ-OE2 3Å; K443-E487 PolarHBondContact NZ-OE2 2.86Å; V482-E487 PolarHBondContact O-N 3.38Å; V482-E487 VanDerWaalsContact O-N 3.14Å; E487-F509 CarbonylContact C-O 3.5Å; E487-F509 VanDerWaalsContact CA-O 3.3Å; E487-F509 WeakPolarHBondContact CA-O 3.49Å; E487-R561 VanDerWaalsContact C-NH2 3.29Å; E487-R561 PolarHBondContact O-NE 2.75Å; E487-R561 PolarHBondContact O-NH2 2.97Å; E487-R561 IonicContact OE1-CZ 3.6Å; E487-R561 IonicContact OE1-NH1 2.85Å; E487-R561 PolarHBondContact OE1-NH1 2.79Å; E487-R561 IonicContact OE1-NH2 3.77Å; E487-R561 PolarHBondContact OE1-NH2 3Å
488	F	97.2	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	165.7	176.1	59.5	-87.2	0	0	0	112.1	L486 V490 Q508 F509 L512 F559 R561 P563 L566	L486-F488 WeakPolarHBondContact O-CD1 3.46Å; F488-V490 HydrophobicContact CD2-CG2 4.07Å; F488-V490 HydrophobicContact CE2-CG2 4.03Å; F488-Q508 WeakPolarHBondContact O-CA 3.5Å; F488-F509 HydrophobicContact CD1-CB 4.37Å; F488-F509 WeakPolarHBondContact CD1-O 3.48Å; F488-F509 HydrophobicContact CD2-CB 4.02Å; F488-F509 HydrophobicContact CE1-CB 3.84Å; F488-F509 HydrophobicContact CE2-CB 3.45Å; F488-F509 VanDerWaalsContact CE2-CB 3.45Å; F488-F509 HydrophobicContact CE2-CD2 4.14Å; F488-F509 HydrophobicContact CE2-CG 4.03Å; F488-F509 HydrophobicContact CG-CB 4.43Å; F488-F509 HydrophobicContact CZ-CB 3.33Å; F488-F509 HydrophobicContact CZ-CG 4.22Å; F488-F509 PolarHBondContact N-O 3.12Å; F488-F509 PolarHBondContact O-N 3.06Å; F488-L512 HydrophobicContact CE2-CD2 3.8Å; F488-L512 HydrophobicContact CE2-CG 4.17Å; F488-L512 HydrophobicContact CZ-CD1 4.42Å; F488-L512 HydrophobicContact CZ-CD2 3.62Å; F488-L512 HydrophobicContact CZ-CG 3.69Å; F488-F559 HydrophobicContact CD2-CD1 4.01Å; F488-F559 AromaticContact CD2-CE1 3.59Å; F488-F559 HydrophobicContact CD2-CE1 3.59Å; F488-F559 AromaticContact CE2-CE1 3.85Å; F488-F559 HydrophobicContact CE2-CE1 3.85Å; F488-F559 HydrophobicContact CG-CE1 4.34Å; F488-R561 VanDerWaalsContact CB-O 3.28Å; F488-R561 WeakPolarHBondContact CB-O 3.48Å; F488-P563 HydrophobicContact CB-CB 4.01Å; F488-P563 HydrophobicContact CB-CG 3.96Å; F488-P563 HydrophobicContact CD1-CB 4.03Å; F488-P563 HydrophobicContact CD1-CG 3.81Å; F488-P563 HydrophobicContact CG-CB 4.45Å; F488-P563 HydrophobicContact CG-CG 4.13Å; F488-L566 HydrophobicContact CD1-CD1 4.49Å; F488-L566 HydrophobicContact CE1-CD1 4.02Å; F488-L566 HydrophobicContact CZ-CD1 4.19Å
489	E	97.1	Very high	95.4	Very high	22 Å²	22	32.7 Å²	32.7	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.1	-178.9	-172.5	176.8	-59.6	0	0	110	R506 E507 Q508 N560 R561	E489-R506 HydrophobicContact CG-CB 4.21Å; E489-R506 WeakPolarHBondContact OE2-CD 3.5Å; E489-R506 WeakPolarHBondContact OE2-CG 3.34Å; E489-R506 IonicContact OE2-CZ 2.66Å; E489-R506 IonicContact OE2-NE 2.8Å; E489-R506 IonicContact OE2-NH1 2.7Å; E489-R506 PolarHBondContact OE2-NH1 3Å; E489-E507 CarbonylContact C-O 3.57Å; E489-E507 WeakPolarHBondContact CA-O 3.32Å; E489-Q508 HydrophobicContact CB-CG 4.34Å; E489-Q508 HydrophobicContact CG-CG 4.21Å; E489-Q508 PolarHBondContact OE1-NE2 3.47Å; E489-N560 HydrophobicContact CG-CB 4.42Å; E489-N560 WeakPolarHBondContact O-CA 3.29Å; E489-N560 PolarHBondContact O-N 3.3Å; E489-N560 PolarHBondContact OE2-ND2 2.85Å; E489-R561 HydrophobicContact CB-CB 4.05Å; E489-R561 PolarHBondContact N-O 3.43Å; E489-R561 VanDerWaalsContact N-O 3.12Å; E489-R561 PolarHBondContact O-N 3.25Å
490	V	97.1	Very high	95.6	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.5	173.4	179.7	0	0	0	0	108.7	F488 R506 E507 F509 F536 H557 F559	F488-V490 HydrophobicContact CD2-CG2 4.07Å; F488-V490 HydrophobicContact CE2-CG2 4.03Å; V490-R506 WeakPolarHBondContact O-CA 3.35Å; V490-E507 PolarHBondContact N-O 2.85Å; V490-E507 PolarHBondContact O-N 2.89Å; V490-F509 HydrophobicContact CB-CD2 4.28Å; V490-F509 HydrophobicContact CB-CE2 3.94Å; V490-F509 HydrophobicContact CG2-CD2 3.93Å; V490-F509 HydrophobicContact CG2-CE2 3.99Å; V490-F536 HydrophobicContact CG1-CE1 4.13Å; V490-F536 HydrophobicContact CG2-CE1 4.19Å; V490-F536 HydrophobicContact CG2-CZ 4.36Å; V490-H557 HydrophobicContact CG1-CB 4.41Å; V490-F559 HydrophobicContact CG2-CD1 4.38Å; V490-F559 HydrophobicContact CG2-CE1 4.46Å
491	Q	96.3	Very high	95.7	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.224	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.6	168	-168.9	177.5	-78.1	0	0	109.4	K505 R506 K558 N560	Q491-K505 CarbonylContact C-O 3.53Å; Q491-K505 WeakPolarHBondContact CA-O 3.42Å; Q491-R506 HydrophobicContact CG-CG 4.34Å; Q491-K558 PolarHBondContact N-O 3.06Å; Q491-K558 PolarHBondContact O-N 3.3Å; Q491-N560 HydrophobicContact CB-CB 4.33Å
492	H	96	Very high	95.7	Very high	24 Å²	24	37.1 Å²	37.1	11%	0.111	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128	171.2	-52.9	-93	0	0	0	108.1	T504 K505 E507 V555 T556 H557	H492-T504 CarbonylContact O-C 3.48Å; H492-T504 VanDerWaalsContact O-CA 3.31Å; H492-T504 WeakPolarHBondContact O-CA 3.15Å; H492-K505 PolarHBondContact N-O 3.47Å; H492-K505 PolarHBondContact O-N 2.71Å; H492-E507 IonicContact NE2-OE2 2.82Å; H492-V555 HydrophobicContact CB-CG2 4.38Å; H492-T556 CarbonylContact C-O 3.03Å; H492-T556 WeakPolarHBondContact CA-O 3.48Å; H492-H557 AromaticContact CE1-CE1 3.64Å; H492-H557 AromaticContact CE1-ND1 3.48Å; H492-H557 PolarHBondContact CE1-ND1 2.82Å; H492-H557 AromaticContact ND1-CE1 3.27Å; H492-H557 PolarHBondContact ND1-CE1 3.37Å; H492-H557 VanDerWaalsContact ND1-CE1 3.27Å; H492-H557 AromaticContact ND1-CG 3.81Å; H492-H557 AromaticContact ND1-ND1 3.28Å; H492-H557 PolarHBondContact ND1-ND1 3.41Å; H492-H557 AromaticContact ND1-NE2 3.73Å
493	S	96	Very high	95.7	Very high	19 Å²	19	39.9 Å²	39.9	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	110	176.3	-44.7	0	0	0	0	108.8	T556	S493-T556 PolarHBondContact N-O 2.78Å; S493-T556 PolarHBondContact O-N 3.08Å; S493-T556 PolarHBondContact O-OG1 3.22Å; S493-T556 VanDerWaalsContact O-OG1 3.06Å
494	I	96	Very high	95.7	Very high	30 Å²	30	40.6 Å²	40.6	15%	0.154	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113	-178.4	-60.6	170.3	0	0	0	107.8	T502 V503 I541 Y543 A553 V555	I494-T502 CarbonylContact O-C 3.56Å; I494-T502 WeakPolarHBondContact O-CA 3.05Å; I494-V503 PolarHBondContact N-O 3.47Å; I494-V503 PolarHBondContact O-N 3Å; I494-I541 HydrophobicContact CD1-CD1 4.43Å; I494-I541 HydrophobicContact CG1-CD1 4.37Å; I494-I541 HydrophobicContact CG2-CD1 4.15Å; I494-Y543 HydrophobicContact CG2-CD1 3.75Å; I494-Y543 HydrophobicContact CG2-CD2 4.37Å; I494-Y543 HydrophobicContact CG2-CE1 4.05Å; I494-Y543 HydrophobicContact CG2-CG 3.92Å; I494-A553 HydrophobicContact CG2-CB 3.57Å; I494-V555 HydrophobicContact CG1-CB 4.32Å; I494-V555 HydrophobicContact CG1-CG2 3.88Å
495	I	96.2	Very high	95.8	Very high	63 Å²	63	43.3 Å²	43.3	32%	0.323	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.6	-174.3	-52.1	174.4	0	0	0	108.9	K497 E501 T502 A553 V554	I495-K497 PolarHBondContact O-N 3.33Å; I495-E501 WeakPolarHBondContact CA-O 3.38Å; I495-T502 HydrophobicContact CG1-CG2 4.06Å; I495-A553 CarbonylContact O-C 3.47Å; I495-A553 WeakPolarHBondContact O-CA 3.22Å; I495-A553 VanDerWaalsContact O-CB 3.29Å; I495-A553 WeakPolarHBondContact O-CB 3.17Å; I495-V554 PolarHBondContact N-O 3.48Å; I495-V554 PolarHBondContact O-N 3.34Å
496	C	96.3	Very high	95.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.2	179.6	-178.2	0	0	0	0	111.6	M498 C499 G500 E501 C545 S552	C496-M498 PolarHBondContact O-N 3.17Å; C496-C499 PolarHBondContact O-N 3Å; C496-G500 WeakPolarHBondContact O-CA 3.21Å; C496-G500 PolarHBondContact O-N 3.48Å; C496-E501 PolarHBondContact N-O 2.93Å; C496-C545 HydrophobicContact CB-CB 3.84Å; C496-C545 WeakPolarHBondContact SG-CB 3.21Å; C496-S552 PolarHBondContact SG-O 2.69Å
497	K	95.1	Very high	95.7	Very high	108 Å²	108	52.3 Å²	52.3	47%	0.47	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25	180	-77.5	-162	169.3	-174.4	0	114.2	I495 E540 S552 V554	I495-K497 PolarHBondContact O-N 3.33Å; K497-E540 WeakPolarHBondContact CE-OE1 3.41Å; K497-E540 VanDerWaalsContact CE-OE2 3.31Å; K497-E540 WeakPolarHBondContact CE-OE2 3.19Å; K497-E540 IonicContact NZ-OE1 2.67Å; K497-E540 PolarHBondContact NZ-OE1 3.42Å; K497-E540 IonicContact NZ-OE2 3.26Å; K497-E540 PolarHBondContact NZ-OE2 2.9Å; K497-S552 PolarHBondContact N-O 3.11Å; K497-V554 HydrophobicContact CD-CG2 4.46Å; K497-V554 HydrophobicContact CG-CG2 4.14Å
498	M	93.6	Very high	95.7	Very high	138 Å²	138	57 Å²	57	68%	0.68	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-25.8	-173.2	-57.2	-54.2	-61.2	0	0	114	C496	C496-M498 PolarHBondContact O-N 3.17Å
499	C	94.6	Very high	95.7	Very high	63 Å²	63	59.4 Å²	59.4	43%	0.426	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	-3.2	-173.4	67.6	0	0	0	0	114.9	C496 E501 C545 C548	C496-C499 PolarHBondContact O-N 3Å; C499-E501 PolarHBondContact O-N 3.05Å; C499-E501 VanDerWaalsContact SG-CB 3.57Å; C499-C545 VanDerWaalsContact SG-SG 3.63Å; C499-C548 HydrophobicContact CB-CB 4.06Å
500	G	93.4	Very high	95.7	Very high	47 Å²	47	59.1 Å²	59.1	49%	0.485	31%	0.308	S	S	.	.			trans	75.4	0.4	-178.3	0	0	0	0	0	115.3	C496 T502	C496-G500 WeakPolarHBondContact O-CA 3.21Å; C496-G500 PolarHBondContact O-N 3.48Å; G500-T502 PolarHBondContact O-N 2.77Å; G500-T502 PolarHBondContact O-OG1 3.5Å
501	E	94.8	Very high	95.7	Very high	60 Å²	60	60.1 Å²	60.1	28%	0.28	31%	0.313	S	S	.	.			trans	-60.2	128.2	-179	-177.1	64.7	173.8	0	0	111.2	I495 C496 C499 K547	I495-E501 WeakPolarHBondContact CA-O 3.38Å; C496-E501 PolarHBondContact N-O 2.93Å; C499-E501 PolarHBondContact O-N 3.05Å; C499-E501 VanDerWaalsContact SG-CB 3.57Å; E501-K547 HydrophobicContact CB-CD 4.36Å; E501-K547 VanDerWaalsContact CD-CD 3.47Å; E501-K547 HydrophobicContact CG-CD 3.92Å; E501-K547 HydrophobicContact CG-CG 4.32Å; E501-K547 WeakPolarHBondContact OE1-CE 3.48Å; E501-K547 IonicContact OE1-NZ 2.74Å; E501-K547 PolarHBondContact OE1-NZ 3.33Å; E501-K547 WeakPolarHBondContact OE2-CD 3.32Å; E501-K547 WeakPolarHBondContact OE2-CE 3.45Å; E501-K547 IonicContact OE2-NZ 2.66Å; E501-K547 PolarHBondContact OE2-NZ 3.33Å
502	T	95.1	Very high	95.8	Very high	67 Å²	67	58 Å²	58	41%	0.411	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.7	-175.6	-59.5	0	0	0	0	111	I494 I495 G500 T504	I494-T502 CarbonylContact O-C 3.56Å; I494-T502 WeakPolarHBondContact O-CA 3.05Å; I495-T502 HydrophobicContact CG1-CG2 4.06Å; G500-T502 PolarHBondContact O-N 2.77Å; G500-T502 PolarHBondContact O-OG1 3.5Å; T502-T504 HydrophobicContact CG2-CG2 4.29Å
503	V	95.1	Very high	95.8	Very high	59 Å²	59	58.5 Å²	58.5	36%	0.358	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123	174.5	179.5	0	0	0	0	109.1	I494	I494-V503 PolarHBondContact N-O 3.47Å; I494-V503 PolarHBondContact O-N 3Å
504	T	95.2	Very high	95.7	Very high	81 Å²	81	57.6 Å²	57.6	50%	0.497	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.2	179.6	59.3	0	0	0	0	112.1	H492 T502	H492-T504 CarbonylContact O-C 3.48Å; H492-T504 VanDerWaalsContact O-CA 3.31Å; H492-T504 WeakPolarHBondContact O-CA 3.15Å; T502-T504 HydrophobicContact CG2-CG2 4.29Å
505	K	94.9	Very high	95.4	Very high	62 Å²	62	60.5 Å²	60.5	27%	0.27	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145	171.5	-175.3	-163.2	170.1	-163.9	0	109.8	L242 Q491 H492 E507	L242-K505 HydrophobicContact CD1-CD 4.08Å; L242-K505 HydrophobicContact CD2-CD 3.93Å; Q491-K505 CarbonylContact C-O 3.53Å; Q491-K505 WeakPolarHBondContact CA-O 3.42Å; H492-K505 PolarHBondContact N-O 3.47Å; H492-K505 PolarHBondContact O-N 2.71Å; K505-E507 WeakPolarHBondContact CE-OE2 3.48Å; K505-E507 IonicContact NZ-OE1 2.82Å; K505-E507 IonicContact NZ-OE2 3.3Å; K505-E507 PolarHBondContact NZ-OE2 2.9Å
506	R	96.1	Very high	94.9	Very high	115 Å²	115	58.7 Å²	58.7	43%	0.434	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143	169.1	-71.1	154.3	178.1	-90.1	-16.9	110.3	E489 V490 Q491 N560	E489-R506 HydrophobicContact CG-CB 4.21Å; E489-R506 WeakPolarHBondContact OE2-CD 3.5Å; E489-R506 WeakPolarHBondContact OE2-CG 3.34Å; E489-R506 IonicContact OE2-CZ 2.66Å; E489-R506 IonicContact OE2-NE 2.8Å; E489-R506 IonicContact OE2-NH1 2.7Å; E489-R506 PolarHBondContact OE2-NH1 3Å; V490-R506 WeakPolarHBondContact O-CA 3.35Å; Q491-R506 HydrophobicContact CG-CG 4.34Å; R506-N560 VanDerWaalsContact CZ-OD1 3.23Å; R506-N560 PolarHBondContact NH1-ND2 3.22Å; R506-N560 VanDerWaalsContact NH1-ND2 3.12Å; R506-N560 PolarHBondContact NH1-OD1 2.88Å; R506-N560 PolarHBondContact NH2-OD1 3.07Å
507	E	96.4	Very high	93.8	Very high	75 Å²	75	58.7 Å²	58.7	35%	0.35	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.8	178.8	-168	158.8	-179.2	0	0	110.4	E489 V490 H492 K505 F509	E489-E507 CarbonylContact C-O 3.57Å; E489-E507 WeakPolarHBondContact CA-O 3.32Å; V490-E507 PolarHBondContact N-O 2.85Å; V490-E507 PolarHBondContact O-N 2.89Å; H492-E507 IonicContact NE2-OE2 2.82Å; K505-E507 WeakPolarHBondContact CE-OE2 3.48Å; K505-E507 IonicContact NZ-OE1 2.82Å; K505-E507 IonicContact NZ-OE2 3.3Å; K505-E507 PolarHBondContact NZ-OE2 2.9Å; E507-F509 HydrophobicContact CB-CE2 3.73Å; E507-F509 HydrophobicContact CB-CZ 4.12Å; E507-F509 HydrophobicContact CG-CE2 3.71Å; E507-F509 HydrophobicContact CG-CZ 3.69Å
508	Q	96.6	Very high	92.5	Very high	112 Å²	112	62.5 Å²	62.5	52%	0.523	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.5	-171	-70.3	175	-10.8	0	0	110.4	F488 E489	F488-Q508 WeakPolarHBondContact O-CA 3.5Å; E489-Q508 HydrophobicContact CB-CG 4.34Å; E489-Q508 HydrophobicContact CG-CG 4.21Å; E489-Q508 PolarHBondContact OE1-NE2 3.47Å
509	F	97.7	Very high	90.8	Very high	50 Å²	50	61.8 Å²	61.8	22%	0.219	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.4	-170.6	-63.9	-90.3	0	0	0	110.5	E487 F488 V490 E507	E487-F509 CarbonylContact C-O 3.5Å; E487-F509 VanDerWaalsContact CA-O 3.3Å; E487-F509 WeakPolarHBondContact CA-O 3.49Å; F488-F509 HydrophobicContact CD1-CB 4.37Å; F488-F509 WeakPolarHBondContact CD1-O 3.48Å; F488-F509 HydrophobicContact CD2-CB 4.02Å; F488-F509 HydrophobicContact CE1-CB 3.84Å; F488-F509 HydrophobicContact CE2-CB 3.45Å; F488-F509 VanDerWaalsContact CE2-CB 3.45Å; F488-F509 HydrophobicContact CE2-CD2 4.14Å; F488-F509 HydrophobicContact CE2-CG 4.03Å; F488-F509 HydrophobicContact CG-CB 4.43Å; F488-F509 HydrophobicContact CZ-CB 3.33Å; F488-F509 HydrophobicContact CZ-CG 4.22Å; F488-F509 PolarHBondContact N-O 3.12Å; F488-F509 PolarHBondContact O-N 3.06Å; V490-F509 HydrophobicContact CB-CD2 4.28Å; V490-F509 HydrophobicContact CB-CE2 3.94Å; V490-F509 HydrophobicContact CG2-CD2 3.93Å; V490-F509 HydrophobicContact CG2-CE2 3.99Å; E507-F509 HydrophobicContact CB-CE2 3.73Å; E507-F509 HydrophobicContact CB-CZ 4.12Å; E507-F509 HydrophobicContact CG-CE2 3.71Å; E507-F509 HydrophobicContact CG-CZ 3.69Å
510	N	97.3	Very high	88.8	Confident	17 Å²	17	63.4 Å²	63.4	9%	0.091	31%	0.311	C	S	.	.	S	Bend	trans	-103.2	-25.8	170.9	-58.6	-36.6	0	0	0	112.1	L439 D440 K443	L439-N510 HydrophobicContact CD1-CB 3.77Å; D440-N510 PolarHBondContact OD1-ND2 3.31Å; K443-N510 WeakPolarHBondContact CE-OD1 3.14Å; K443-N510 PolarHBondContact NZ-OD1 3.46Å
511	D	97.7	Very high	86.7	Confident	24 Å²	24	70.5 Å²	70.5	13%	0.128	33%	0.328	C	S	.	.			trans	-154.9	167.2	-174.1	67.3	-78.9	0	0	0	110.1	H432 I567	H432-D511 IonicContact CD2-OD2 2.74Å; H432-D511 IonicContact CE1-OD2 2.72Å; H432-D511 IonicContact NE2-OD2 3.69Å; H432-D511 PolarHBondContact NE2-OD2 3.31Å; D511-I567 CarbonylContact C-O 3.56Å; D511-I567 VanDerWaalsContact CA-O 3.28Å; D511-I567 WeakPolarHBondContact CA-O 3.18Å; D511-I567 HydrophobicContact CB-CB 3.74Å; D511-I567 HydrophobicContact CB-CG2 3.78Å
512	L	97.5	Very high	84.5	Confident	3 Å²	3	75.8 Å²	75.8	2%	0.016	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.1	168.7	-59.1	176.9	0	0	0	110.5	F488 I514 L532 F535 F536 L566 I567 L568 H569	F488-L512 HydrophobicContact CE2-CD2 3.8Å; F488-L512 HydrophobicContact CE2-CG 4.17Å; F488-L512 HydrophobicContact CZ-CD1 4.42Å; F488-L512 HydrophobicContact CZ-CD2 3.62Å; F488-L512 HydrophobicContact CZ-CG 3.69Å; L512-I514 HydrophobicContact CB-CG2 3.92Å; L512-I514 PolarHBondContact O-N 2.75Å; L512-L532 HydrophobicContact CD1-CD1 3.76Å; L512-F535 HydrophobicContact CD1-CD1 4.35Å; L512-F535 HydrophobicContact CD1-CE1 4.21Å; L512-F535 HydrophobicContact CD2-CE1 3.73Å; L512-F535 HydrophobicContact CD2-CZ 3.93Å; L512-F535 HydrophobicContact CG-CE1 4.45Å; L512-F536 HydrophobicContact CD1-CE2 3.5Å; L512-F536 HydrophobicContact CD1-CZ 3.81Å; L512-L566 HydrophobicContact CD1-CD1 4.45Å; L512-I567 PolarHBondContact N-O 2.98Å; L512-L568 HydrophobicContact CB-CD2 3.83Å; L512-L568 HydrophobicContact CD1-CD2 4.04Å; L512-L568 HydrophobicContact CG-CD2 4.29Å; L512-L568 WeakPolarHBondContact O-CA 3.27Å; L512-H569 PolarHBondContact O-N 2.94Å
513	S	96.6	Very high	82.6	Confident	35 Å²	35	76.7 Å²	76.7	25%	0.245	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	98.9	169.5	-64.1	0	0	0	0	109.6	H432 H569 K571	H432-S513 PolarHBondContact CE1-OG 3.19Å; H432-S513 VanDerWaalsContact CE1-OG 3.31Å; H432-S513 PolarHBondContact NE2-OG 3.19Å; S513-H569 CarbonylContact C-O 3.54Å; S513-H569 WeakPolarHBondContact CA-O 3.47Å; S513-H569 WeakPolarHBondContact CB-ND1 3.25Å; S513-H569 PolarHBondContact OG-ND1 3.3Å; S513-K571 WeakPolarHBondContact O-CE 3.41Å; S513-K571 PolarHBondContact O-NZ 2.76Å
514	I	94	Very high	80.9	Confident	0 Å²	0	79 Å²	79	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.9	-174.6	70.5	-173.5	0	0	0	111.7	L512 I528 L532 F535 L568 H569 L570 K571	L512-I514 HydrophobicContact CB-CG2 3.92Å; L512-I514 PolarHBondContact O-N 2.75Å; I514-I528 HydrophobicContact CD1-CG2 4.39Å; I514-L532 HydrophobicContact CD1-CB 4.48Å; I514-F535 HydrophobicContact CG2-CB 3.98Å; I514-F535 HydrophobicContact CG2-CD2 3.93Å; I514-F535 HydrophobicContact CG2-CG 3.91Å; I514-L568 HydrophobicContact CD1-CD1 4.38Å; I514-H569 PolarHBondContact N-O 2.82Å; I514-L570 HydrophobicContact CD1-CD2 3.93Å; I514-L570 HydrophobicContact CG1-CD2 3.68Å; I514-K571 WeakPolarHBondContact O-CG 3.3Å; I514-K571 PolarHBondContact O-N 2.95Å
515	D	89.8	Confident	79.4	Confident	91 Å²	91	77.1 Å²	77.1	49%	0.487	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-79.7	153.9	-177.9	-57.1	-90	0	0	0	111.5	S531 K571	D515-S531 WeakPolarHBondContact O-CB 3.46Å; D515-S531 PolarHBondContact O-OG 3.43Å; D515-K571 HydrophobicContact CB-CD 4.36Å; D515-K571 WeakPolarHBondContact OD1-CD 3.47Å; D515-K571 IonicContact OD1-NZ 3.88Å; D515-K571 PolarHBondContact OD1-NZ 2.89Å; D515-K571 IonicContact OD2-NZ 2.98Å; D515-K571 PolarHBondContact OD2-NZ 3.47Å
516	L	84.9	Confident	78.8	Confident	25 Å²	25	76.2 Å²	76.2	13%	0.131	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-68.3	141.6	176.1	-79.8	86.7	0	0	0	110.3	R518 K571 R572 V585 Q587 V589	L516-R518 PolarHBondContact O-N 3.1Å; L516-K571 VanDerWaalsContact CD1-C 3.43Å; L516-K571 WeakPolarHBondContact CD1-O 3.42Å; L516-R572 HydrophobicContact CD1-CB 4.5Å; L516-R572 HydrophobicContact CD1-CG 3.95Å; L516-R572 HydrophobicContact CD2-CG 4.29Å; L516-V585 HydrophobicContact CD2-CB 4.18Å; L516-V585 HydrophobicContact CD2-CG1 3.88Å; L516-Q587 HydrophobicContact CD2-CB 3.88Å; L516-Q587 HydrophobicContact CD2-CG 4.25Å; L516-V589 HydrophobicContact CD2-CG2 4.14Å; L516-V589 HydrophobicContact CG-CG2 4.49Å
517	P	72.4	Confident	78.5	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.006	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-73.6	119.1	-173.4	29.9	-30	0	0	0	108.6	R519 R526 S531 L534 Q587 V589	P517-R519 PolarHBondContact O-N 2.72Å; P517-R526 HydrophobicContact CB-CB 3.5Å; P517-R526 HydrophobicContact CB-CG 4.12Å; P517-R526 HydrophobicContact CG-CB 3.53Å; P517-S531 WeakPolarHBondContact CD-OG 3.49Å; P517-L534 HydrophobicContact CB-CD1 4.47Å; P517-Q587 PolarHBondContact O-NE2 3.37Å; P517-V589 HydrophobicContact CG-CG1 4.3Å; P517-V589 HydrophobicContact CG-CG2 4.27Å
518	R	68.1	Low	78.4	Confident	187 Å²	187	68.1 Å²	68.1	71%	0.706	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-60.3	137.5	-172.6	-66.4	-175.1	179.7	-171.4	0.7	110.7	L516	L516-R518 PolarHBondContact O-N 3.1Å
519	R	59.1	Low	78.3	Confident	124 Å²	124	63.3 Å²	63.3	47%	0.468	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-101.2	124.1	178.8	-72.1	-178.6	172.2	-153.1	-5.5	111.6	P517 Q588	P517-R519 PolarHBondContact O-N 2.72Å; R519-Q588 PolarHBondContact NH2-O 3.02Å
520	K	53.1	Low	78	Confident	97 Å²	97	62 Å²	62	42%	0.422	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-79.6	147.8	147.1	-70.1	-179.8	-177.5	160.2	0	109.2	L522 L523 D874	K520-L522 PolarHBondContact O-N 3.47Å; K520-L523 HydrophobicContact CB-CD1 4.48Å; K520-L523 PolarHBondContact O-N 3.15Å; K520-D874 VanDerWaalsContact CD-OD2 3.29Å; K520-D874 WeakPolarHBondContact CD-OD2 3.22Å; K520-D874 WeakPolarHBondContact CE-OD2 3.32Å; K520-D874 IonicContact NZ-OD2 2.71Å; K520-D874 PolarHBondContact NZ-OD2 3.13Å
521	K	49.1	Very low	77.7	Confident	195 Å²	195	61.3 Å²	61.3	85%	0.848	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	3.6	-169.1	-66.4	-178.8	178.6	175.4	0	116.1
522	L	48.3	Very low	77.5	Confident	172 Å²	172	60.1 Å²	60.1	90%	0.901	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-1.7	-171.7	-74.8	164.9	0	0	0	114.8	K520	K520-L522 PolarHBondContact O-N 3.47Å
523	L	55.1	Low	77.3	Confident	86 Å²	86	60.5 Å²	60.5	45%	0.45	30%	0.295	S	S	.	.	S	Bend	trans	-100	156.1	-176.9	-68.5	178.2	0	0	0	112.7	K520 D874	K520-L523 HydrophobicContact CB-CD1 4.48Å; K520-L523 PolarHBondContact O-N 3.15Å; L523-D874 WeakPolarHBondContact CD1-OD1 3.42Å
524	P	59.1	Low	76.9	Confident	106 Å²	106	60.5 Å²	60.5	69%	0.688	29%	0.292	S	S	*	.			trans	-55.8	161.8	175.6	-26.3	35.5	0	0	0	113.8	R526	P524-R526 PolarHBondContact O-N 3.41Å
525	S	63.8	Low	76.8	Confident	42 Å²	42	63.8 Å²	63.8	29%	0.294	31%	0.306	S	S	.	.			trans	-64.2	98.8	171.3	50.5	0	0	0	0	110.7	V590	S525-V590 WeakPolarHBondContact O-CG2 3.22Å; S525-V590 VanDerWaalsContact OG-CG2 3.31Å; S525-V590 WeakPolarHBondContact OG-CG2 3.47Å
526	R	81.9	Confident	77	Confident	44 Å²	44	59.6 Å²	59.6	17%	0.166	28%	0.284	C	S	.	.			trans	-49.2	146.1	171.6	-64.2	-75.9	-171.1	176.5	4.7	111.6	P517 P524 D530 V590 D874 M875	P517-R526 HydrophobicContact CB-CB 3.5Å; P517-R526 HydrophobicContact CB-CG 4.12Å; P517-R526 HydrophobicContact CG-CB 3.53Å; P524-R526 PolarHBondContact O-N 3.41Å; R526-D530 WeakPolarHBondContact CA-OD2 3.48Å; R526-D530 HydrophobicContact CB-CB 4.22Å; R526-D530 VanDerWaalsContact CB-OD2 3.26Å; R526-D530 WeakPolarHBondContact CB-OD2 3.3Å; R526-D530 WeakPolarHBondContact CD-OD2 3.35Å; R526-D530 IonicContact NH1-OD2 3.8Å; R526-V590 PolarHBondContact O-N 3.2Å; R526-V590 VanDerWaalsContact O-N 3.17Å; R526-D874 IonicContact CZ-OD1 3.49Å; R526-D874 IonicContact NE-OD1 3.64Å; R526-D874 IonicContact NH2-OD1 2.77Å; R526-D874 PolarHBondContact NH2-OD1 2.75Å; R526-M875 PolarHBondContact NH1-O 2.84Å; R526-M875 PolarHBondContact NH2-O 3.26Å
527	S	90.9	Very high	77.2	Confident	19 Å²	19	62.1 Å²	62.1	13%	0.133	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-96.3	175.6	-174.5	88.9	0	0	0	0	114.2	Q529 D530 S531 V590	S527-Q529 VanDerWaalsContact C-N 3.26Å; S527-Q529 PolarHBondContact O-N 3.06Å; S527-Q529 WeakPolarHBondContact OG-CB 3.35Å; S527-Q529 PolarHBondContact OG-N 3.48Å; S527-D530 WeakPolarHBondContact CA-OD1 3.33Å; S527-D530 VanDerWaalsContact CB-OD1 3.25Å; S527-D530 WeakPolarHBondContact CB-OD1 3.36Å; S527-D530 PolarHBondContact N-OD1 3.1Å; S527-D530 VanDerWaalsContact N-OD1 3.1Å; S527-D530 PolarHBondContact N-OD2 3.07Å; S527-D530 VanDerWaalsContact N-OD2 3.13Å; S527-D530 WeakPolarHBondContact O-CB 3.46Å; S527-D530 PolarHBondContact O-N 3.46Å; S527-D530 PolarHBondContact OG-N 2.87Å; S527-D530 PolarHBondContact OG-OD1 3.44Å; S527-S531 PolarHBondContact O-N 2.91Å; S527-V590 CarbonylContact C-O 3.51Å; S527-V590 WeakPolarHBondContact CA-O 3.32Å
528	I	93.5	Very high	78.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-31.5	169.4	-65.3	178.7	0	0	0	111.7	I514 D530 S531 L532 L568 L570 V589 V590 I591 L595 F955	I514-I528 HydrophobicContact CD1-CG2 4.39Å; I528-D530 VanDerWaalsContact C-N 3.33Å; I528-S531 PolarHBondContact O-N 2.98Å; I528-L532 WeakPolarHBondContact O-CB 3.38Å; I528-L532 PolarHBondContact O-N 3.1Å; I528-L568 HydrophobicContact CG2-CD1 3.68Å; I528-L570 HydrophobicContact CG1-CD1 4.44Å; I528-V589 HydrophobicContact CG1-CG1 3.89Å; I528-V590 PolarHBondContact N-O 3.12Å; I528-I591 HydrophobicContact CD1-CB 4.36Å; I528-I591 HydrophobicContact CD1-CG1 4.03Å; I528-I591 HydrophobicContact CD1-CG2 4.23Å; I528-L595 HydrophobicContact CB-CD2 4.44Å; I528-L595 HydrophobicContact CG2-CD1 4.07Å; I528-L595 HydrophobicContact CG2-CD2 4.21Å; I528-F955 HydrophobicContact CD1-CD1 3.67Å; I528-F955 HydrophobicContact CD1-CD2 4.03Å; I528-F955 HydrophobicContact CD1-CE1 3.55Å; I528-F955 HydrophobicContact CD1-CE2 3.95Å; I528-F955 HydrophobicContact CD1-CG 3.92Å; I528-F955 HydrophobicContact CD1-CZ 3.7Å
529	Q	94	Very high	79.3	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-43	173.9	-171.9	72.5	57.2	0	0	110.3	S527 S531 L532 D533 L595 T596 L885	S527-Q529 VanDerWaalsContact C-N 3.26Å; S527-Q529 PolarHBondContact O-N 3.06Å; S527-Q529 WeakPolarHBondContact OG-CB 3.35Å; S527-Q529 PolarHBondContact OG-N 3.48Å; Q529-S531 VanDerWaalsContact C-N 3.35Å; Q529-S531 PolarHBondContact O-N 2.97Å; Q529-L532 WeakPolarHBondContact O-CB 3.47Å; Q529-L532 PolarHBondContact O-N 2.97Å; Q529-L532 VanDerWaalsContact O-N 3.1Å; Q529-D533 PolarHBondContact NE2-OD1 3.07Å; Q529-D533 WeakPolarHBondContact O-CB 3.31Å; Q529-D533 VanDerWaalsContact O-CG 3.29Å; Q529-D533 PolarHBondContact O-N 3.3Å; Q529-L595 HydrophobicContact CB-CD2 3.79Å; Q529-L595 HydrophobicContact CG-CD2 4.49Å; Q529-T596 PolarHBondContact NE2-O 3.49Å; Q529-T596 PolarHBondContact OE1-O 3.31Å; Q529-L885 HydrophobicContact CG-CD2 4.31Å
530	D	91	Very high	81	Confident	21 Å²	21	60.9 Å²	60.9	11%	0.112	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-44	179.3	-44.9	27.5	0	0	0	111	R526 S527 I528 L534	R526-D530 WeakPolarHBondContact CA-OD2 3.48Å; R526-D530 HydrophobicContact CB-CB 4.22Å; R526-D530 VanDerWaalsContact CB-OD2 3.26Å; R526-D530 WeakPolarHBondContact CB-OD2 3.3Å; R526-D530 WeakPolarHBondContact CD-OD2 3.35Å; R526-D530 IonicContact NH1-OD2 3.8Å; S527-D530 WeakPolarHBondContact CA-OD1 3.33Å; S527-D530 VanDerWaalsContact CB-OD1 3.25Å; S527-D530 WeakPolarHBondContact CB-OD1 3.36Å; S527-D530 PolarHBondContact N-OD1 3.1Å; S527-D530 VanDerWaalsContact N-OD1 3.1Å; S527-D530 PolarHBondContact N-OD2 3.07Å; S527-D530 VanDerWaalsContact N-OD2 3.13Å; S527-D530 WeakPolarHBondContact O-CB 3.46Å; S527-D530 PolarHBondContact O-N 3.46Å; S527-D530 PolarHBondContact OG-N 2.87Å; S527-D530 PolarHBondContact OG-OD1 3.44Å; I528-D530 VanDerWaalsContact C-N 3.33Å; D530-L534 WeakPolarHBondContact O-CB 3.49Å; D530-L534 WeakPolarHBondContact O-CD1 3.42Å; D530-L534 WeakPolarHBondContact O-CG 3.41Å; D530-L534 PolarHBondContact O-N 2.89Å
531	S	91.6	Very high	82.9	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-34.8	174.5	-86.3	0	0	0	0	113.3	D515 P517 S527 I528 Q529 F535	D515-S531 WeakPolarHBondContact O-CB 3.46Å; D515-S531 PolarHBondContact O-OG 3.43Å; P517-S531 WeakPolarHBondContact CD-OG 3.49Å; S527-S531 PolarHBondContact O-N 2.91Å; I528-S531 PolarHBondContact O-N 2.98Å; Q529-S531 VanDerWaalsContact C-N 3.35Å; Q529-S531 PolarHBondContact O-N 2.97Å; S531-F535 PolarHBondContact O-N 3.39Å
532	L	93.9	Very high	85	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.5	-43.7	177.9	-175.8	62.1	0	0	0	111	L512 I514 I528 Q529 F535 F536 L568 L595 L597	L512-L532 HydrophobicContact CD1-CD1 3.76Å; I514-L532 HydrophobicContact CD1-CB 4.48Å; I528-L532 WeakPolarHBondContact O-CB 3.38Å; I528-L532 PolarHBondContact O-N 3.1Å; Q529-L532 WeakPolarHBondContact O-CB 3.47Å; Q529-L532 PolarHBondContact O-N 2.97Å; Q529-L532 VanDerWaalsContact O-N 3.1Å; L532-F535 WeakPolarHBondContact O-CB 3.4Å; L532-F535 PolarHBondContact O-N 3.24Å; L532-F535 VanDerWaalsContact O-N 3.17Å; L532-F536 HydrophobicContact CD1-CD2 4.07Å; L532-F536 HydrophobicContact CD1-CE2 3.83Å; L532-F536 HydrophobicContact CG-CD2 4.43Å; L532-F536 WeakPolarHBondContact O-CD2 3.47Å; L532-F536 PolarHBondContact O-N 2.79Å; L532-F536 VanDerWaalsContact O-N 3.17Å; L532-L568 HydrophobicContact CD1-CD2 3.92Å; L532-L568 HydrophobicContact CD2-CD1 4.36Å; L532-L595 HydrophobicContact CD2-CD1 4.27Å; L532-L597 HydrophobicContact CD2-CD2 3.72Å
533	D	92.4	Very high	87	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.053	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-36.4	177.1	-68.3	1.9	0	0	0	111.5	Q529 F535 F536 R537 H600 M875 Y877	Q529-D533 PolarHBondContact NE2-OD1 3.07Å; Q529-D533 WeakPolarHBondContact O-CB 3.31Å; Q529-D533 VanDerWaalsContact O-CG 3.29Å; Q529-D533 PolarHBondContact O-N 3.3Å; D533-F535 VanDerWaalsContact C-N 3.31Å; D533-F535 PolarHBondContact O-N 2.85Å; D533-F536 PolarHBondContact O-N 2.91Å; D533-R537 PolarHBondContact O-N 2.9Å; D533-H600 IonicContact OD1-CD2 3.28Å; D533-H600 IonicContact OD1-CE1 2.76Å; D533-H600 IonicContact OD1-NE2 3.75Å; D533-H600 PolarHBondContact OD1-NE2 3.22Å; D533-M875 VanDerWaalsContact C-CE 3.47Å; D533-M875 HydrophobicContact CB-CE 3.72Å; D533-Y877 WeakPolarHBondContact OD2-CE1 3.44Å; D533-Y877 PolarHBondContact OD2-OH 3Å
534	L	89.6	Confident	88.8	Confident	35 Å²	35	46.5 Å²	46.5	18%	0.183	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-39	170.2	-80.1	167.5	0	0	0	112.1	P517 D530 R537 M875	P517-L534 HydrophobicContact CB-CD1 4.47Å; D530-L534 WeakPolarHBondContact O-CB 3.49Å; D530-L534 WeakPolarHBondContact O-CD1 3.42Å; D530-L534 WeakPolarHBondContact O-CG 3.41Å; D530-L534 PolarHBondContact O-N 2.89Å; L534-R537 WeakPolarHBondContact O-CB 3.5Å; L534-M875 HydrophobicContact CB-CE 4.35Å; L534-M875 HydrophobicContact CD2-CE 3.87Å; L534-M875 HydrophobicContact CG-CE 3.81Å
535	F	91.6	Very high	90.4	Very high	69 Å²	69	41.5 Å²	41.5	30%	0.303	22%	0.215	S	C	.	.	H	α-helix	trans	-70.9	-28.9	178.7	178.8	-85.1	0	0	0	113.5	L512 I514 S531 L532 D533	L512-F535 HydrophobicContact CD1-CD1 4.35Å; L512-F535 HydrophobicContact CD1-CE1 4.21Å; L512-F535 HydrophobicContact CD2-CE1 3.73Å; L512-F535 HydrophobicContact CD2-CZ 3.93Å; L512-F535 HydrophobicContact CG-CE1 4.45Å; I514-F535 HydrophobicContact CG2-CB 3.98Å; I514-F535 HydrophobicContact CG2-CD2 3.93Å; I514-F535 HydrophobicContact CG2-CG 3.91Å; S531-F535 PolarHBondContact O-N 3.39Å; L532-F535 WeakPolarHBondContact O-CB 3.4Å; L532-F535 PolarHBondContact O-N 3.24Å; L532-F535 VanDerWaalsContact O-N 3.17Å; D533-F535 VanDerWaalsContact C-N 3.31Å; D533-F535 PolarHBondContact O-N 2.85Å
536	F	92.9	Very high	91.8	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-97.1	0.8	177.7	-79.8	-79	0	0	0	114.5	V490 L512 L532 D533 H557 F559 H600	V490-F536 HydrophobicContact CG1-CE1 4.13Å; V490-F536 HydrophobicContact CG2-CE1 4.19Å; V490-F536 HydrophobicContact CG2-CZ 4.36Å; L512-F536 HydrophobicContact CD1-CE2 3.5Å; L512-F536 HydrophobicContact CD1-CZ 3.81Å; L532-F536 HydrophobicContact CD1-CD2 4.07Å; L532-F536 HydrophobicContact CD1-CE2 3.83Å; L532-F536 HydrophobicContact CG-CD2 4.43Å; L532-F536 WeakPolarHBondContact O-CD2 3.47Å; L532-F536 PolarHBondContact O-N 2.79Å; L532-F536 VanDerWaalsContact O-N 3.17Å; D533-F536 PolarHBondContact O-N 2.91Å; F536-H557 HydrophobicContact CD1-CB 3.61Å; F536-H557 HydrophobicContact CE1-CB 4.19Å; F536-F559 HydrophobicContact CD1-CE2 4.43Å; F536-F559 HydrophobicContact CD2-CE2 4.3Å; F536-F559 HydrophobicContact CE1-CD2 4.23Å; F536-F559 AromaticContact CE1-CE2 3.76Å; F536-F559 HydrophobicContact CE1-CE2 3.76Å; F536-F559 HydrophobicContact CE1-CZ 4.11Å; F536-F559 AromaticContact CE2-CE2 3.6Å; F536-F559 HydrophobicContact CE2-CE2 3.6Å; F536-F559 AromaticContact CE2-CZ 3.65Å; F536-F559 HydrophobicContact CE2-CZ 3.65Å; F536-F559 HydrophobicContact CZ-CD2 4.19Å; F536-F559 HydrophobicContact CZ-CE1 4.14Å; F536-F559 AromaticContact CZ-CE2 3.31Å; F536-F559 HydrophobicContact CZ-CE2 3.31Å; F536-F559 AromaticContact CZ-CZ 3.29Å; F536-F559 HydrophobicContact CZ-CZ 3.29Å; F536-H600 HydrophobicContact CB-CB 4.46Å; F536-H600 VanDerWaalsContact CB-CE1 3.49Å; F536-H600 WeakPolarHBondContact CB-CE1 3.26Å; F536-H600 VanDerWaalsContact CB-ND1 3.28Å; F536-H600 WeakPolarHBondContact CB-ND1 3.46Å; F536-H600 HydrophobicContact CD1-CB 4.36Å; F536-H600 AromaticContact CD2-CD2 3.99Å; F536-H600 HydrophobicContact CG-CB 4.23Å; F536-H600 AromaticContact CG-CG 3.8Å; F536-H600 AromaticContact CG-ND1 3.95Å
537	R	90.6	Very high	92.3	Very high	77 Å²	77	51.3 Å²	51.3	29%	0.291	26%	0.255	S	S	.	.	S	Bend	trans	-58.8	151.4	177.1	-169	177	58.4	-174.4	-4.4	110.9	D533 L534	D533-R537 PolarHBondContact O-N 2.9Å; L534-R537 WeakPolarHBondContact O-CB 3.5Å
538	A	91.9	Very high	92.4	Very high	56 Å²	56	52.8 Å²	52.8	46%	0.463	27%	0.265	S	S	.	.			trans	-67.4	133.1	171	0	0	0	0	0	110.2	V554 V555 T556	A538-V554 HydrophobicContact CB-CG1 3.91Å; A538-V555 WeakPolarHBondContact CA-O 3.46Å; A538-T556 HydrophobicContact CB-CG2 3.95Å
539	E	92.2	Very high	92.2	Very high	97 Å²	97	59.1 Å²	59.1	45%	0.453	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.8	179.9	-61.7	-159.2	141	0	0	111.6	V554 V555	E539-V554 CarbonylContact O-C 3.41Å; E539-V554 WeakPolarHBondContact O-CA 3.38Å; E539-V555 HydrophobicContact CB-CG1 4.07Å; E539-V555 PolarHBondContact N-O 2.77Å; E539-V555 PolarHBondContact O-N 2.91Å
540	E	93.8	Very high	92	Very high	133 Å²	133	59.2 Å²	59.2	62%	0.621	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.2	173.9	-58.2	-151.6	-174.1	0	0	110.6	K497	K497-E540 WeakPolarHBondContact CE-OE1 3.41Å; K497-E540 VanDerWaalsContact CE-OE2 3.31Å; K497-E540 WeakPolarHBondContact CE-OE2 3.19Å; K497-E540 IonicContact NZ-OE1 2.67Å; K497-E540 PolarHBondContact NZ-OE1 3.42Å; K497-E540 IonicContact NZ-OE2 3.26Å; K497-E540 PolarHBondContact NZ-OE2 2.9Å
541	I	93.1	Very high	92.1	Very high	48 Å²	48	64.7 Å²	64.7	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.3	-180	61	168.4	0	0	0	111.1	I494 Y543 A553 V555	I494-I541 HydrophobicContact CD1-CD1 4.43Å; I494-I541 HydrophobicContact CG1-CD1 4.37Å; I494-I541 HydrophobicContact CG2-CD1 4.15Å; I541-Y543 PolarHBondContact O-N 2.94Å; I541-A553 HydrophobicContact CG1-CB 4.24Å; I541-A553 PolarHBondContact N-O 3.06Å; I541-A553 PolarHBondContact O-N 3.02Å; I541-V555 HydrophobicContact CD1-CB 4.09Å; I541-V555 HydrophobicContact CD1-CG1 4.48Å; I541-V555 HydrophobicContact CG1-CB 4.47Å; I541-V555 HydrophobicContact CG2-CG1 3.95Å
542	E	93.1	Very high	92.2	Very high	109 Å²	109	66.3 Å²	66.3	51%	0.509	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	122	156.6	-170.6	-173.7	-156.2	0	0	107.5	Y241 K551	Y241-E542 PolarHBondContact OH-O 3.37Å; E542-K551 CarbonylContact C-O 3.54Å; E542-K551 VanDerWaalsContact CA-O 3.23Å; E542-K551 WeakPolarHBondContact CA-O 3.39Å; E542-K551 HydrophobicContact CG-CB 4.49Å; E542-K551 WeakPolarHBondContact CG-O 3.21Å; E542-K551 IonicContact OE1-NZ 3.79Å
543	Y	91	Very high	92.3	Very high	22 Å²	22	66.3 Å²	66.3	9%	0.086	34%	0.337	C	S	.	.			trans	-152	126.3	176.5	169.6	-102.4	0	0	0	109.6	Y241 I494 I541 C545 K551 S552 A553	Y241-Y543 HydrophobicContact CE1-CD2 4.2Å; I494-Y543 HydrophobicContact CG2-CD1 3.75Å; I494-Y543 HydrophobicContact CG2-CD2 4.37Å; I494-Y543 HydrophobicContact CG2-CE1 4.05Å; I494-Y543 HydrophobicContact CG2-CG 3.92Å; I541-Y543 PolarHBondContact O-N 2.94Å; Y543-C545 HydrophobicContact CE1-CB 4.22Å; Y543-C545 PolarHBondContact O-N 2.86Å; Y543-K551 PolarHBondContact N-O 2.93Å; Y543-K551 CarbonylContact O-C 3.38Å; Y543-K551 VanDerWaalsContact O-CA 3.25Å; Y543-K551 WeakPolarHBondContact O-CA 3.44Å; Y543-S552 PolarHBondContact O-N 3.47Å; Y543-A553 HydrophobicContact CD1-CB 3.89Å; Y543-A553 HydrophobicContact CG-CB 4.27Å
544	S	92.7	Very high	92.5	Very high	69 Å²	69	67.5 Å²	67.5	48%	0.483	35%	0.345	S	S	.	.			trans	-83.9	99.3	-179.6	-62.9	0	0	0	0	110.9	E546	S544-E546 PolarHBondContact O-N 2.87Å
545	C	92.4	Very high	92.8	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.014	34%	0.34	C	S	.	.			trans	-68	128	-179	178.4	0	0	0	0	112.7	C496 C499 Y543 K547 C548 N549 G550	C496-C545 HydrophobicContact CB-CB 3.84Å; C496-C545 WeakPolarHBondContact SG-CB 3.21Å; C499-C545 VanDerWaalsContact SG-SG 3.63Å; Y543-C545 HydrophobicContact CE1-CB 4.22Å; Y543-C545 PolarHBondContact O-N 2.86Å; C545-K547 VanDerWaalsContact C-N 3.3Å; C545-K547 PolarHBondContact O-N 3.47Å; C545-C548 PolarHBondContact O-N 3.44Å; C545-N549 VanDerWaalsContact O-CA 3.24Å; C545-N549 WeakPolarHBondContact O-CA 3.42Å; C545-N549 PolarHBondContact O-N 3.42Å; C545-G550 PolarHBondContact N-O 2.75Å
546	E	93.8	Very high	92.9	Very high	148 Å²	148	65 Å²	65	69%	0.692	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.5	-178.5	-61.8	179.3	-176.8	0	0	114	S544	S544-E546 PolarHBondContact O-N 2.87Å
547	K	92.6	Very high	93	Very high	144 Å²	144	66.4 Å²	66.4	63%	0.626	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-22.4	-178.2	-72.7	-167.9	-178.6	167.2	0	115.3	E501 C545	E501-K547 HydrophobicContact CB-CD 4.36Å; E501-K547 VanDerWaalsContact CD-CD 3.47Å; E501-K547 HydrophobicContact CG-CD 3.92Å; E501-K547 HydrophobicContact CG-CG 4.32Å; E501-K547 WeakPolarHBondContact OE1-CE 3.48Å; E501-K547 IonicContact OE1-NZ 2.74Å; E501-K547 PolarHBondContact OE1-NZ 3.33Å; E501-K547 WeakPolarHBondContact OE2-CD 3.32Å; E501-K547 WeakPolarHBondContact OE2-CE 3.45Å; E501-K547 IonicContact OE2-NZ 2.66Å; E501-K547 PolarHBondContact OE2-NZ 3.33Å; C545-K547 VanDerWaalsContact C-N 3.3Å; C545-K547 PolarHBondContact O-N 3.47Å
548	C	92.2	Very high	93.3	Very high	49 Å²	49	66 Å²	66	33%	0.331	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	0.5	-173.3	75.7	0	0	0	0	115.1	C499 C545 G550	C499-C548 HydrophobicContact CB-CB 4.06Å; C545-C548 PolarHBondContact O-N 3.44Å; C548-G550 PolarHBondContact O-N 3.18Å; C548-G550 PolarHBondContact SG-N 2.98Å
549	N	90.1	Very high	93.5	Very high	134 Å²	134	63.4 Å²	63.4	72%	0.717	32%	0.322	S	S	*	.			trans	55.7	11.7	-176.3	-56.5	96.8	0	0	0	115.5	C545	C545-N549 VanDerWaalsContact O-CA 3.24Å; C545-N549 WeakPolarHBondContact O-CA 3.42Å; C545-N549 PolarHBondContact O-N 3.42Å
550	G	89.4	Confident	93.7	Very high	13 Å²	13	59.3 Å²	59.3	13%	0.134	30%	0.303	C	S	.	.			trans	-63.4	140.4	171	0	0	0	0	0	110.5	C545 C548	C545-G550 PolarHBondContact N-O 2.75Å; C548-G550 PolarHBondContact O-N 3.18Å; C548-G550 PolarHBondContact SG-N 2.98Å
551	K	93.3	Very high	93.8	Very high	136 Å²	136	55 Å²	55	59%	0.591	28%	0.281	S	S	*	.			trans	-95.1	1.4	-172.6	-70.5	-168.8	170.6	-160.7	0	115.5	E542 Y543	E542-K551 CarbonylContact C-O 3.54Å; E542-K551 VanDerWaalsContact CA-O 3.23Å; E542-K551 WeakPolarHBondContact CA-O 3.39Å; E542-K551 HydrophobicContact CG-CB 4.49Å; E542-K551 WeakPolarHBondContact CG-O 3.21Å; E542-K551 IonicContact OE1-NZ 3.79Å; Y543-K551 PolarHBondContact N-O 2.93Å; Y543-K551 CarbonylContact O-C 3.38Å; Y543-K551 VanDerWaalsContact O-CA 3.25Å; Y543-K551 WeakPolarHBondContact O-CA 3.44Å
552	S	93.6	Very high	94	Very high	37 Å²	37	52.8 Å²	52.8	26%	0.259	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.1	-175.4	176.3	0	0	0	0	111.2	C496 K497 Y543	C496-S552 PolarHBondContact SG-O 2.69Å; K497-S552 PolarHBondContact N-O 3.11Å; Y543-S552 PolarHBondContact O-N 3.47Å
553	A	96.1	Very high	94.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.1	171.8	0	0	0	0	0	110.8	I494 I495 I541 Y543	I494-A553 HydrophobicContact CG2-CB 3.57Å; I495-A553 CarbonylContact O-C 3.47Å; I495-A553 WeakPolarHBondContact O-CA 3.22Å; I495-A553 VanDerWaalsContact O-CB 3.29Å; I495-A553 WeakPolarHBondContact O-CB 3.17Å; I541-A553 HydrophobicContact CG1-CB 4.24Å; I541-A553 PolarHBondContact N-O 3.06Å; I541-A553 PolarHBondContact O-N 3.02Å; Y543-A553 HydrophobicContact CD1-CB 3.89Å; Y543-A553 HydrophobicContact CG-CB 4.27Å
554	V	96.4	Very high	94.5	Very high	36 Å²	36	47.1 Å²	47.1	22%	0.218	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128	165.9	-176.9	0	0	0	0	107.7	I495 K497 A538 E539 T556	I495-V554 PolarHBondContact N-O 3.48Å; I495-V554 PolarHBondContact O-N 3.34Å; K497-V554 HydrophobicContact CD-CG2 4.46Å; K497-V554 HydrophobicContact CG-CG2 4.14Å; A538-V554 HydrophobicContact CB-CG1 3.91Å; E539-V554 CarbonylContact O-C 3.41Å; E539-V554 WeakPolarHBondContact O-CA 3.38Å; V554-T556 HydrophobicContact CG1-CG2 4.26Å
555	V	95.3	Very high	94.8	Very high	13 Å²	13	43.9 Å²	43.9	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.3	168.9	67.7	0	0	0	0	109.7	H492 I494 A538 E539 I541	H492-V555 HydrophobicContact CB-CG2 4.38Å; I494-V555 HydrophobicContact CG1-CB 4.32Å; I494-V555 HydrophobicContact CG1-CG2 3.88Å; A538-V555 WeakPolarHBondContact CA-O 3.46Å; E539-V555 HydrophobicContact CB-CG1 4.07Å; E539-V555 PolarHBondContact N-O 2.77Å; E539-V555 PolarHBondContact O-N 2.91Å; I541-V555 HydrophobicContact CD1-CB 4.09Å; I541-V555 HydrophobicContact CD1-CG1 4.48Å; I541-V555 HydrophobicContact CG1-CB 4.47Å; I541-V555 HydrophobicContact CG2-CG1 3.95Å
556	T	94.7	Very high	95.1	Very high	39 Å²	39	43.8 Å²	43.8	24%	0.239	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.9	177.1	56.4	0	0	0	0	109.9	H492 S493 A538 V554	H492-T556 CarbonylContact C-O 3.03Å; H492-T556 WeakPolarHBondContact CA-O 3.48Å; S493-T556 PolarHBondContact N-O 2.78Å; S493-T556 PolarHBondContact O-N 3.08Å; S493-T556 PolarHBondContact O-OG1 3.22Å; S493-T556 VanDerWaalsContact O-OG1 3.06Å; A538-T556 HydrophobicContact CB-CG2 3.95Å; V554-T556 HydrophobicContact CG1-CG2 4.26Å
557	H	95.3	Very high	95.3	Very high	32 Å²	32	36.7 Å²	36.7	15%	0.148	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.9	-170.7	-65.8	-133.6	0	0	0	109.1	V490 H492 F536	V490-H557 HydrophobicContact CG1-CB 4.41Å; H492-H557 AromaticContact CE1-CE1 3.64Å; H492-H557 AromaticContact CE1-ND1 3.48Å; H492-H557 PolarHBondContact CE1-ND1 2.82Å; H492-H557 AromaticContact ND1-CE1 3.27Å; H492-H557 PolarHBondContact ND1-CE1 3.37Å; H492-H557 VanDerWaalsContact ND1-CE1 3.27Å; H492-H557 AromaticContact ND1-CG 3.81Å; H492-H557 AromaticContact ND1-ND1 3.28Å; H492-H557 PolarHBondContact ND1-ND1 3.41Å; H492-H557 AromaticContact ND1-NE2 3.73Å; F536-H557 HydrophobicContact CD1-CB 3.61Å; F536-H557 HydrophobicContact CE1-CB 4.19Å
558	K	95.6	Very high	95.6	Very high	69 Å²	69	29.9 Å²	29.9	30%	0.3	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.7	174.9	-63.9	-63.9	167.7	-156.8	0	111.9	Q491 N560 S599 H600 T602	Q491-K558 PolarHBondContact N-O 3.06Å; Q491-K558 PolarHBondContact O-N 3.3Å; K558-N560 PolarHBondContact O-N 2.84Å; K558-S599 PolarHBondContact NZ-O 3.35Å; K558-H600 CarbonylContact C-O 3.51Å; K558-H600 VanDerWaalsContact CA-O 3.25Å; K558-H600 WeakPolarHBondContact CA-O 3.32Å; K558-H600 WeakPolarHBondContact CB-O 3.25Å; K558-H600 VanDerWaalsContact CD-O 3.27Å; K558-H600 WeakPolarHBondContact CD-O 3.43Å; K558-T602 HydrophobicContact CB-CG2 4.23Å; K558-T602 HydrophobicContact CG-CG2 4.11Å
559	F	97	Very high	95.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128	174.9	-72.3	-91.4	0	0	0	111	F488 V490 F536 L562 L597 H600 T605	F488-F559 HydrophobicContact CD2-CD1 4.01Å; F488-F559 AromaticContact CD2-CE1 3.59Å; F488-F559 HydrophobicContact CD2-CE1 3.59Å; F488-F559 AromaticContact CE2-CE1 3.85Å; F488-F559 HydrophobicContact CE2-CE1 3.85Å; F488-F559 HydrophobicContact CG-CE1 4.34Å; V490-F559 HydrophobicContact CG2-CD1 4.38Å; V490-F559 HydrophobicContact CG2-CE1 4.46Å; F536-F559 HydrophobicContact CD1-CE2 4.43Å; F536-F559 HydrophobicContact CD2-CE2 4.3Å; F536-F559 HydrophobicContact CE1-CD2 4.23Å; F536-F559 AromaticContact CE1-CE2 3.76Å; F536-F559 HydrophobicContact CE1-CE2 3.76Å; F536-F559 HydrophobicContact CE1-CZ 4.11Å; F536-F559 AromaticContact CE2-CE2 3.6Å; F536-F559 HydrophobicContact CE2-CE2 3.6Å; F536-F559 AromaticContact CE2-CZ 3.65Å; F536-F559 HydrophobicContact CE2-CZ 3.65Å; F536-F559 HydrophobicContact CZ-CD2 4.19Å; F536-F559 HydrophobicContact CZ-CE1 4.14Å; F536-F559 AromaticContact CZ-CE2 3.31Å; F536-F559 HydrophobicContact CZ-CE2 3.31Å; F536-F559 AromaticContact CZ-CZ 3.29Å; F536-F559 HydrophobicContact CZ-CZ 3.29Å; F559-L562 HydrophobicContact CB-CD2 3.83Å; F559-L562 HydrophobicContact CD1-CD2 3.79Å; F559-L562 HydrophobicContact CD2-CD2 4.44Å; F559-L562 HydrophobicContact CE1-CD2 4.45Å; F559-L562 HydrophobicContact CG-CD2 3.77Å; F559-L597 HydrophobicContact CD2-CD1 4.38Å; F559-L597 HydrophobicContact CE1-CD1 4.17Å; F559-L597 HydrophobicContact CE2-CB 4.39Å; F559-L597 HydrophobicContact CE2-CD1 3.96Å; F559-L597 HydrophobicContact CE2-CD2 3.89Å; F559-L597 HydrophobicContact CE2-CG 4.31Å; F559-L597 HydrophobicContact CZ-CD1 3.83Å; F559-L597 HydrophobicContact CZ-CD2 4.06Å; F559-H600 HydrophobicContact CD2-CB 3.74Å; F559-H600 HydrophobicContact CE2-CB 3.85Å; F559-H600 PolarHBondContact N-O 2.88Å; F559-T605 HydrophobicContact CB-CG2 4.02Å; F559-T605 WeakPolarHBondContact O-CB 3.34Å; F559-T605 WeakPolarHBondContact O-CG2 3.46Å; F559-T605 PolarHBondContact O-OG1 2.85Å
560	N	96.2	Very high	96	Very high	11 Å²	11	21.9 Å²	21.9	6%	0.059	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-32	168.6	166.8	94.2	0	0	0	112.1	E489 Q491 R506 K558 R606	E489-N560 HydrophobicContact CG-CB 4.42Å; E489-N560 WeakPolarHBondContact O-CA 3.29Å; E489-N560 PolarHBondContact O-N 3.3Å; E489-N560 PolarHBondContact OE2-ND2 2.85Å; Q491-N560 HydrophobicContact CB-CB 4.33Å; R506-N560 VanDerWaalsContact CZ-OD1 3.23Å; R506-N560 PolarHBondContact NH1-ND2 3.22Å; R506-N560 VanDerWaalsContact NH1-ND2 3.12Å; R506-N560 PolarHBondContact NH1-OD1 2.88Å; R506-N560 PolarHBondContact NH2-OD1 3.07Å; K558-N560 PolarHBondContact O-N 2.84Å; N560-R606 WeakPolarHBondContact O-CB 3.3Å; N560-R606 PolarHBondContact O-N 2.87Å
561	R	96.4	Very high	96.1	Very high	41 Å²	41	24.6 Å²	24.6	16%	0.155	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.2	169.7	-172.5	-177	83	-154	5.5	109.2	E487 F488 E489 R606	E487-R561 VanDerWaalsContact C-NH2 3.29Å; E487-R561 PolarHBondContact O-NE 2.75Å; E487-R561 PolarHBondContact O-NH2 2.97Å; E487-R561 IonicContact OE1-CZ 3.6Å; E487-R561 IonicContact OE1-NH1 2.85Å; E487-R561 PolarHBondContact OE1-NH1 2.79Å; E487-R561 IonicContact OE1-NH2 3.77Å; E487-R561 PolarHBondContact OE1-NH2 3Å; F488-R561 VanDerWaalsContact CB-O 3.28Å; F488-R561 WeakPolarHBondContact CB-O 3.48Å; E489-R561 HydrophobicContact CB-CB 4.05Å; E489-R561 PolarHBondContact N-O 3.43Å; E489-R561 VanDerWaalsContact N-O 3.12Å; E489-R561 PolarHBondContact O-N 3.25Å; R561-R606 WeakPolarHBondContact CA-O 3.34Å; R561-R606 HydrophobicContact CB-CB 4.32Å; R561-R606 HydrophobicContact CG-CB 4.2Å
562	L	97.3	Very high	95.9	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	9%	0.091	C	C	.	.			trans	-90	147.1	176.3	-71.4	-175.3	0	0	0	112.6	F559 L597 T605 R606 P608 H896 Y898	F559-L562 HydrophobicContact CB-CD2 3.83Å; F559-L562 HydrophobicContact CD1-CD2 3.79Å; F559-L562 HydrophobicContact CD2-CD2 4.44Å; F559-L562 HydrophobicContact CE1-CD2 4.45Å; F559-L562 HydrophobicContact CG-CD2 3.77Å; L562-L597 HydrophobicContact CD2-CD1 3.59Å; L562-T605 HydrophobicContact CD1-CG2 4.24Å; L562-T605 HydrophobicContact CD2-CG2 4.26Å; L562-T605 HydrophobicContact CG-CG2 3.78Å; L562-R606 PolarHBondContact N-O 2.91Å; L562-P608 HydrophobicContact CB-CG 3.95Å; L562-P608 WeakPolarHBondContact O-CA 3.34Å; L562-H896 HydrophobicContact CD1-CB 4.11Å; L562-Y898 WeakPolarHBondContact CB-OH 3.24Å
563	P	97.4	Very high	95.5	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.013	9%	0.087	C	C	.	.			trans	-86	159.3	172.8	35.2	-32.4	0	0	0	111.3	F488 V565 L566 P608 Y898	F488-P563 HydrophobicContact CB-CB 4.01Å; F488-P563 HydrophobicContact CB-CG 3.96Å; F488-P563 HydrophobicContact CD1-CB 4.03Å; F488-P563 HydrophobicContact CD1-CG 3.81Å; F488-P563 HydrophobicContact CG-CB 4.45Å; F488-P563 HydrophobicContact CG-CG 4.13Å; P563-V565 VanDerWaalsContact C-N 3.35Å; P563-L566 HydrophobicContact CG-CB 4.07Å; P563-L566 HydrophobicContact CG-CD1 4.26Å; P563-P608 VanDerWaalsContact O-CG 3.28Å; P563-P608 WeakPolarHBondContact O-CG 3.5Å; P563-Y898 WeakPolarHBondContact CD-OH 3.41Å; P563-Y898 HydrophobicContact CG-CE1 4.34Å; P563-Y898 WeakPolarHBondContact O-CE1 3.37Å; P563-Y898 PolarHBondContact O-OH 2.94Å
564	R	96.9	Very high	94.7	Very high	11 Å²	11	20.4 Å²	20.4	4%	0.042	10%	0.1	C	C	.	.	S	Bend	trans	-68.8	-37.3	168.1	-64.5	178.2	-177.3	153	-3	110.8	D370 S484 N485 P608 L609 T610 M958 H959	D370-R564 IonicContact OD2-NH1 2.74Å; D370-R564 PolarHBondContact OD2-NH1 3.28Å; D370-R564 VanDerWaalsContact OD2-NH1 3.09Å; S484-R564 WeakPolarHBondContact O-CD 3.47Å; S484-R564 PolarHBondContact O-NE 3.42Å; N485-R564 WeakPolarHBondContact O-CA 3.43Å; N485-R564 WeakPolarHBondContact O-CB 3.32Å; N485-R564 PolarHBondContact O-N 2.74Å; N485-R564 VanDerWaalsContact OD1-CD 3.26Å; N485-R564 WeakPolarHBondContact OD1-CD 3.44Å; N485-R564 PolarHBondContact OD1-NH1 3.48Å; R564-P608 HydrophobicContact CG-CB 3.97Å; R564-L609 PolarHBondContact NE-O 3.28Å; R564-T610 PolarHBondContact NH2-O 3.29Å; R564-M958 CarbonylContact O-C 3.55Å; R564-M958 WeakPolarHBondContact O-CA 3.47Å; R564-H959 PolarHBondContact O-N 2.8Å
565	V	98.2	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.5	173.6	-179.5	0	0	0	0	109.4	I364 N485 L486 P563 I901 F956 Y957 M958	I364-V565 HydrophobicContact CD1-CG1 4.2Å; I364-V565 HydrophobicContact CD1-CG2 4.37Å; I364-V565 HydrophobicContact CG2-CG2 3.9Å; N485-V565 PolarHBondContact O-N 3.25Å; L486-V565 HydrophobicContact CD2-CB 3.88Å; L486-V565 HydrophobicContact CD2-CG1 4.31Å; P563-V565 VanDerWaalsContact C-N 3.35Å; V565-I901 HydrophobicContact CG1-CD1 4.18Å; V565-I901 HydrophobicContact CG2-CD1 4.21Å; V565-F956 HydrophobicContact CG1-CB 4.16Å; V565-F956 HydrophobicContact CG1-CD1 4.24Å; V565-Y957 CarbonylContact C-O 3.57Å; V565-Y957 VanDerWaalsContact CA-O 3.22Å; V565-Y957 WeakPolarHBondContact CA-O 3.42Å; V565-Y957 WeakPolarHBondContact CG1-O 3.25Å; V565-M958 HydrophobicContact CG2-CB 4.07Å; V565-M958 HydrophobicContact CG2-CE 3.83Å; V565-M958 HydrophobicContact CG2-CG 4.12Å
566	L	98.4	Very high	92.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.2	169.7	-179.4	68.1	0	0	0	109.2	F488 L512 P563 L568 L597 Y898 Y957	F488-L566 HydrophobicContact CD1-CD1 4.49Å; F488-L566 HydrophobicContact CE1-CD1 4.02Å; F488-L566 HydrophobicContact CZ-CD1 4.19Å; L512-L566 HydrophobicContact CD1-CD1 4.45Å; P563-L566 HydrophobicContact CG-CB 4.07Å; P563-L566 HydrophobicContact CG-CD1 4.26Å; L566-L568 HydrophobicContact CD1-CD2 4.25Å; L566-L568 HydrophobicContact CD2-CD1 4.36Å; L566-L568 HydrophobicContact CD2-CD2 3.94Å; L566-L568 HydrophobicContact CD2-CG 4.19Å; L566-L568 HydrophobicContact CG-CD2 3.94Å; L566-L568 HydrophobicContact CG-CG 4.19Å; L566-L597 HydrophobicContact CD2-CD1 4.33Å; L566-L597 HydrophobicContact CD2-CD2 4.09Å; L566-Y898 HydrophobicContact CB-CD1 4.01Å; L566-Y898 HydrophobicContact CB-CE1 4.02Å; L566-Y957 PolarHBondContact N-O 3.22Å; L566-Y957 PolarHBondContact O-N 3.42Å
567	I	98.7	Very high	91.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.5	173.6	-58	179.3	0	0	0	108.5	L435 L439 L486 D511 L512 I954 F955 F956	L435-I567 HydrophobicContact CD2-CD1 4.38Å; L435-I567 HydrophobicContact CD2-CG2 4.04Å; L439-I567 HydrophobicContact CD1-CD1 4.35Å; L486-I567 HydrophobicContact CD1-CD1 3.99Å; L486-I567 HydrophobicContact CD2-CD1 4.04Å; L486-I567 HydrophobicContact CD2-CG1 4.45Å; L486-I567 HydrophobicContact CG-CD1 4.44Å; D511-I567 CarbonylContact C-O 3.56Å; D511-I567 VanDerWaalsContact CA-O 3.28Å; D511-I567 WeakPolarHBondContact CA-O 3.18Å; D511-I567 HydrophobicContact CB-CB 3.74Å; D511-I567 HydrophobicContact CB-CG2 3.78Å; L512-I567 PolarHBondContact N-O 2.98Å; I567-I954 HydrophobicContact CG2-CG2 3.64Å; I567-F955 WeakPolarHBondContact CA-O 3.36Å; I567-F956 HydrophobicContact CD1-CD1 3.95Å; I567-F956 HydrophobicContact CD1-CE1 3.51Å; I567-F956 HydrophobicContact CD1-CZ 4.34Å; I567-F956 HydrophobicContact CG1-CD1 3.74Å; I567-F956 HydrophobicContact CG1-CE1 3.8Å; I567-F956 HydrophobicContact CG2-CE1 4.5Å
568	L	98.4	Very high	90.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.6	175.9	-58.9	-179.2	0	0	0	110.2	L512 I514 I528 L532 L566 L595 I954 F955 Y957	L512-L568 HydrophobicContact CB-CD2 3.83Å; L512-L568 HydrophobicContact CD1-CD2 4.04Å; L512-L568 HydrophobicContact CG-CD2 4.29Å; L512-L568 WeakPolarHBondContact O-CA 3.27Å; I514-L568 HydrophobicContact CD1-CD1 4.38Å; I528-L568 HydrophobicContact CG2-CD1 3.68Å; L532-L568 HydrophobicContact CD1-CD2 3.92Å; L532-L568 HydrophobicContact CD2-CD1 4.36Å; L566-L568 HydrophobicContact CD1-CD2 4.25Å; L566-L568 HydrophobicContact CD2-CD1 4.36Å; L566-L568 HydrophobicContact CD2-CD2 3.94Å; L566-L568 HydrophobicContact CD2-CG 4.19Å; L566-L568 HydrophobicContact CG-CD2 3.94Å; L566-L568 HydrophobicContact CG-CG 4.19Å; L568-L595 HydrophobicContact CD1-CD1 3.47Å; L568-L595 VanDerWaalsContact CD1-CD1 3.47Å; L568-I954 CarbonylContact O-C 3.6Å; L568-I954 WeakPolarHBondContact O-CA 3.33Å; L568-F955 PolarHBondContact N-O 2.85Å; L568-F955 PolarHBondContact O-N 3.11Å; L568-Y957 HydrophobicContact CD1-CD2 4.3Å; L568-Y957 HydrophobicContact CD1-CE2 4.24Å
569	H	97.4	Very high	89.9	Confident	16 Å²	16	31.1 Å²	31.1	7%	0.074	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.4	172.6	156.4	-142	0	0	0	108.9	H432 L512 S513 I514 Y953 I954	H432-H569 AromaticContact CD2-CG 3.67Å; H432-H569 AromaticContact CD2-ND1 3.54Å; H432-H569 AromaticContact CE1-ND1 3.55Å; H432-H569 AromaticContact CG-CE1 3.85Å; H432-H569 AromaticContact CG-CG 3.75Å; H432-H569 AromaticContact CG-ND1 3.37Å; H432-H569 AromaticContact ND1-CE1 3.74Å; H432-H569 AromaticContact ND1-ND1 3.38Å; H432-H569 PolarHBondContact ND1-ND1 2.98Å; H432-H569 AromaticContact NE2-ND1 3.63Å; L512-H569 PolarHBondContact O-N 2.94Å; S513-H569 CarbonylContact C-O 3.54Å; S513-H569 WeakPolarHBondContact CA-O 3.47Å; S513-H569 WeakPolarHBondContact CB-ND1 3.25Å; S513-H569 PolarHBondContact OG-ND1 3.3Å; I514-H569 PolarHBondContact N-O 2.82Å; H569-Y953 WeakPolarHBondContact CA-O 3.25Å; H569-Y953 AromaticContact CD2-CE2 3.35Å; H569-Y953 WeakPolarHBondContact CD2-CE2 3.22Å; H569-Y953 AromaticContact CD2-CZ 3.53Å; H569-Y953 AromaticContact NE2-CE2 3.21Å; H569-Y953 WeakPolarHBondContact NE2-CE2 3.41Å; H569-Y953 AromaticContact NE2-CZ 3.3Å; H569-Y953 VanDerWaalsContact NE2-CZ 3.3Å; H569-Y953 PolarHBondContact NE2-OH 2.82Å; H569-I954 HydrophobicContact CB-CG1 4.44Å
570	L	94.1	Very high	88.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.8	171	-67.2	-177	0	0	0	109.4	I514 I528 R572 V589 Y953 F955	I514-L570 HydrophobicContact CD1-CD2 3.93Å; I514-L570 HydrophobicContact CG1-CD2 3.68Å; I528-L570 HydrophobicContact CG1-CD1 4.44Å; L570-R572 HydrophobicContact CB-CG 4.21Å; L570-R572 PolarHBondContact O-N 3.43Å; L570-V589 HydrophobicContact CD1-CB 4.42Å; L570-V589 HydrophobicContact CD1-CG1 4.41Å; L570-Y953 PolarHBondContact N-O 3.3Å; L570-Y953 WeakPolarHBondContact O-CD2 3.34Å; L570-Y953 VanDerWaalsContact O-CE2 3.29Å; L570-Y953 WeakPolarHBondContact O-CE2 3.5Å; L570-F955 HydrophobicContact CB-CE2 4.48Å; L570-F955 HydrophobicContact CD1-CE2 3.54Å; L570-F955 HydrophobicContact CD1-CZ 3.94Å; L570-F955 HydrophobicContact CG-CD2 4.3Å; L570-F955 HydrophobicContact CG-CE2 3.69Å
571	K	91.9	Very high	87.5	Confident	69 Å²	69	40.1 Å²	40.1	30%	0.3	22%	0.224	S	C	.	.			trans	-66.7	65.5	179.6	-66.9	164.3	171.2	168	0	113.3	S513 I514 D515 L516 Y573	S513-K571 WeakPolarHBondContact O-CE 3.41Å; S513-K571 PolarHBondContact O-NZ 2.76Å; I514-K571 WeakPolarHBondContact O-CG 3.3Å; I514-K571 PolarHBondContact O-N 2.95Å; D515-K571 HydrophobicContact CB-CD 4.36Å; D515-K571 WeakPolarHBondContact OD1-CD 3.47Å; D515-K571 IonicContact OD1-NZ 3.88Å; D515-K571 PolarHBondContact OD1-NZ 2.89Å; D515-K571 IonicContact OD2-NZ 2.98Å; D515-K571 PolarHBondContact OD2-NZ 3.47Å; L516-K571 VanDerWaalsContact CD1-C 3.43Å; L516-K571 WeakPolarHBondContact CD1-O 3.42Å; K571-Y573 PolarHBondContact O-N 2.78Å
572	R	89	Confident	86.5	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	24%	0.236	C	C	.	.			trans	-74.9	-2	-176.1	-71.6	-171.2	-177.8	-88.4	8.8	114.7	L516 L570 K584 V585 Q587 D949 R950 G952 Y953	L516-R572 HydrophobicContact CD1-CB 4.5Å; L516-R572 HydrophobicContact CD1-CG 3.95Å; L516-R572 HydrophobicContact CD2-CG 4.29Å; L570-R572 HydrophobicContact CB-CG 4.21Å; L570-R572 PolarHBondContact O-N 3.43Å; R572-K584 CarbonylContact O-C 3.57Å; R572-K584 WeakPolarHBondContact O-CA 3.39Å; R572-V585 PolarHBondContact NH1-O 2.97Å; R572-V585 PolarHBondContact O-N 3.1Å; R572-Q587 PolarHBondContact NH1-O 3.38Å; R572-D949 PolarHBondContact NH2-O 2.99Å; R572-R950 PolarHBondContact NH1-O 2.91Å; R572-G952 PolarHBondContact NE-O 3.49Å; R572-G952 PolarHBondContact NH2-O 3.3Å; R572-Y953 HydrophobicContact CB-CD2 4.23Å; R572-Y953 HydrophobicContact CB-CE2 4.49Å; R572-Y953 HydrophobicContact CG-CD2 4.47Å
573	Y	85.4	Confident	85.5	Confident	44 Å²	44	46 Å²	46	17%	0.173	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127	176.3	-56.1	-69.1	0	0	0	111.1	K571 K584 H906 Y953	K571-Y573 PolarHBondContact O-N 2.78Å; Y573-K584 HydrophobicContact CD1-CB 4.05Å; Y573-K584 HydrophobicContact CD1-CG 4.06Å; Y573-K584 HydrophobicContact CE1-CB 3.91Å; Y573-K584 HydrophobicContact CE1-CD 3.82Å; Y573-K584 HydrophobicContact CE1-CG 3.61Å; Y573-H906 AromaticContact CZ-ND1 3.97Å; Y573-H906 VanDerWaalsContact OH-CG 3.32Å; Y573-H906 PolarHBondContact OH-ND1 3.44Å; Y573-Y953 HydrophobicContact CD2-CE2 4.02Å; Y573-Y953 HydrophobicContact CE2-CD2 4.33Å; Y573-Y953 HydrophobicContact CE2-CE1 4.39Å; Y573-Y953 AromaticContact CE2-CE2 3.74Å; Y573-Y953 HydrophobicContact CE2-CE2 3.74Å; Y573-Y953 AromaticContact CE2-CZ 3.8Å
574	S	77.6	Confident	84.9	Confident	40 Å²	40	47.4 Å²	47.4	28%	0.28	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.1	176.2	22.1	0	0	0	0	109.1	N576 H583 V585	S574-N576 PolarHBondContact O-N 3.24Å; S574-H583 VanDerWaalsContact CB-CE1 3.46Å; S574-H583 WeakPolarHBondContact CB-CE1 3.35Å; S574-H583 PolarHBondContact N-O 3.47Å; S574-H583 VanDerWaalsContact N-O 3.1Å; S574-H583 PolarHBondContact O-CE1 3.13Å; S574-H583 PolarHBondContact O-N 3.05Å; S574-H583 PolarHBondContact O-ND1 3.29Å; S574-H583 PolarHBondContact OG-CD2 2.96Å; S574-H583 PolarHBondContact OG-CE1 3.41Å; S574-H583 PolarHBondContact OG-NE2 3.16Å; S574-V585 WeakPolarHBondContact OG-CG2 3.43Å
575	F	77.7	Confident	84.2	Confident	92 Å²	92	48.7 Å²	48.7	40%	0.404	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.6	174.1	-179.7	-105.4	0	0	0	108.8	V577 N582	F575-V577 HydrophobicContact CD1-CG2 3.92Å; F575-V577 HydrophobicContact CE1-CB 4.34Å; F575-V577 HydrophobicContact CE1-CG2 4.03Å; F575-V577 PolarHBondContact O-N 2.67Å; F575-N582 WeakPolarHBondContact CD2-OD1 3.27Å
576	N	74.3	Confident	83.4	Confident	54 Å²	54	50.4 Å²	50.4	29%	0.289	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	109.1	170.1	-178.9	-36.6	0	0	0	107.9	S574 A578 L579 S580 L581	S574-N576 PolarHBondContact O-N 3.24Å; N576-A578 PolarHBondContact OD1-N 2.76Å; N576-A578 VanDerWaalsContact OD1-N 3.08Å; N576-L579 HydrophobicContact CB-CB 4.36Å; N576-L579 PolarHBondContact O-N 2.9Å; N576-L579 PolarHBondContact OD1-N 3.39Å; N576-S580 VanDerWaalsContact O-CA 3.31Å; N576-S580 WeakPolarHBondContact O-CA 3.42Å; N576-S580 PolarHBondContact O-N 3.1Å; N576-L581 WeakPolarHBondContact CB-O 3.48Å; N576-L581 PolarHBondContact N-O 3.01Å; N576-L581 PolarHBondContact O-N 2.71Å
577	V	75.7	Confident	82.8	Confident	56 Å²	56	52 Å²	52	34%	0.339	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-45.6	-177.8	-177.7	0	0	0	0	111.4	F575 L579 S580	F575-V577 HydrophobicContact CD1-CG2 3.92Å; F575-V577 HydrophobicContact CE1-CB 4.34Å; F575-V577 HydrophobicContact CE1-CG2 4.03Å; F575-V577 PolarHBondContact O-N 2.67Å; V577-L579 VanDerWaalsContact C-N 3.31Å; V577-L579 PolarHBondContact O-N 2.92Å; V577-S580 PolarHBondContact O-N 3.1Å; V577-S580 VanDerWaalsContact O-N 3.07Å; V577-S580 PolarHBondContact O-OG 3.18Å
578	A	75.1	Confident	82.4	Confident	97 Å²	97	55.6 Å²	55.6	80%	0.802	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.4	-177.2	0	0	0	0	0	113.3	N576	N576-A578 PolarHBondContact OD1-N 2.76Å; N576-A578 VanDerWaalsContact OD1-N 3.08Å
579	L	73.8	Confident	82	Confident	116 Å²	116	55.6 Å²	55.6	61%	0.607	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.6	174.4	-61.2	180	0	0	0	113.4	N576 V577 L581	N576-L579 HydrophobicContact CB-CB 4.36Å; N576-L579 PolarHBondContact O-N 2.9Å; N576-L579 PolarHBondContact OD1-N 3.39Å; V577-L579 VanDerWaalsContact C-N 3.31Å; V577-L579 PolarHBondContact O-N 2.92Å; L579-L581 HydrophobicContact CB-CB 4.21Å; L579-L581 HydrophobicContact CB-CD1 4.39Å; L579-L581 HydrophobicContact CB-CG 4.45Å; L579-L581 WeakPolarHBondContact O-CG 3.44Å; L579-L581 PolarHBondContact O-N 2.94Å
580	S	72.9	Confident	81.9	Confident	88 Å²	88	57.7 Å²	57.7	62%	0.615	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	30.6	-167.8	-67.1	0	0	0	0	114.3	N576 V577	N576-S580 VanDerWaalsContact O-CA 3.31Å; N576-S580 WeakPolarHBondContact O-CA 3.42Å; N576-S580 PolarHBondContact O-N 3.1Å; V577-S580 PolarHBondContact O-N 3.1Å; V577-S580 VanDerWaalsContact O-N 3.07Å; V577-S580 PolarHBondContact O-OG 3.18Å
581	L	69.9	Low	81.9	Confident	113 Å²	113	58 Å²	58	59%	0.592	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.4	-175.6	-74.5	173.7	0	0	0	111.7	N576 L579	N576-L581 WeakPolarHBondContact CB-O 3.48Å; N576-L581 PolarHBondContact N-O 3.01Å; N576-L581 PolarHBondContact O-N 2.71Å; L579-L581 HydrophobicContact CB-CB 4.21Å; L579-L581 HydrophobicContact CB-CD1 4.39Å; L579-L581 HydrophobicContact CB-CG 4.45Å; L579-L581 WeakPolarHBondContact O-CG 3.44Å; L579-L581 PolarHBondContact O-N 2.94Å
582	N	75.5	Confident	82.1	Confident	76 Å²	76	55.2 Å²	55.2	41%	0.406	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.8	165.7	-72.1	-31.8	0	0	0	109.6	F575 S911	F575-N582 WeakPolarHBondContact CD2-OD1 3.27Å; N582-S911 VanDerWaalsContact CB-OG 3.29Å; N582-S911 WeakPolarHBondContact CB-OG 3.44Å; N582-S911 PolarHBondContact ND2-OG 2.88Å
583	H	76.9	Confident	82.5	Confident	90 Å²	90	59.3 Å²	59.3	42%	0.417	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.2	167.5	63	-81.8	0	0	0	110.3	S574	S574-H583 VanDerWaalsContact CB-CE1 3.46Å; S574-H583 WeakPolarHBondContact CB-CE1 3.35Å; S574-H583 PolarHBondContact N-O 3.47Å; S574-H583 VanDerWaalsContact N-O 3.1Å; S574-H583 PolarHBondContact O-CE1 3.13Å; S574-H583 PolarHBondContact O-N 3.05Å; S574-H583 PolarHBondContact O-ND1 3.29Å; S574-H583 PolarHBondContact OG-CD2 2.96Å; S574-H583 PolarHBondContact OG-CE1 3.41Å; S574-H583 PolarHBondContact OG-NE2 3.16Å
584	K	84.6	Confident	83.1	Confident	33 Å²	33	58 Å²	58	14%	0.143	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.9	176.2	-172.8	-178.7	179.6	-178.1	0	110	R572 Y573 G586 H906 G908 S909	R572-K584 CarbonylContact O-C 3.57Å; R572-K584 WeakPolarHBondContact O-CA 3.39Å; Y573-K584 HydrophobicContact CD1-CB 4.05Å; Y573-K584 HydrophobicContact CD1-CG 4.06Å; Y573-K584 HydrophobicContact CE1-CB 3.91Å; Y573-K584 HydrophobicContact CE1-CD 3.82Å; Y573-K584 HydrophobicContact CE1-CG 3.61Å; K584-G586 PolarHBondContact O-N 3.37Å; K584-H906 PolarHBondContact NZ-ND1 3.31Å; K584-H906 VanDerWaalsContact NZ-ND1 3.16Å; K584-H906 PolarHBondContact NZ-O 2.93Å; K584-G908 VanDerWaalsContact CD-O 3.3Å; K584-G908 WeakPolarHBondContact CD-O 3.05Å; K584-G908 PolarHBondContact NZ-O 2.66Å; K584-S909 WeakPolarHBondContact CB-O 3.39Å
585	V	83.4	Confident	84	Confident	37 Å²	37	56.1 Å²	56.1	22%	0.224	31%	0.314	C	S	.	.			trans	-80.5	89	-178.5	-167.8	0	0	0	0	109.9	L516 R572 S574 Q587	L516-V585 HydrophobicContact CD2-CB 4.18Å; L516-V585 HydrophobicContact CD2-CG1 3.88Å; R572-V585 PolarHBondContact NH1-O 2.97Å; R572-V585 PolarHBondContact O-N 3.1Å; S574-V585 WeakPolarHBondContact OG-CG2 3.43Å; V585-Q587 HydrophobicContact CG1-CB 3.86Å; V585-Q587 PolarHBondContact O-N 2.93Å
586	G	81.1	Confident	84.9	Confident	37 Å²	37	51.8 Å²	51.8	38%	0.381	30%	0.295	S	S	.	.			trans	-70	27.8	175.9	0	0	0	0	0	115.3	K584 R950	K584-G586 PolarHBondContact O-N 3.37Å; G586-R950 PolarHBondContact O-NE 3.1Å
587	Q	85.8	Confident	85.9	Confident	34 Å²	34	49.2 Å²	49.2	16%	0.159	28%	0.281	C	S	.	.			trans	-69	135.6	175.8	166.7	170.7	-23.1	0	0	110.6	L516 P517 R572 V585 V589	L516-Q587 HydrophobicContact CD2-CB 3.88Å; L516-Q587 HydrophobicContact CD2-CG 4.25Å; P517-Q587 PolarHBondContact O-NE2 3.37Å; R572-Q587 PolarHBondContact NH1-O 3.38Å; V585-Q587 HydrophobicContact CG1-CB 3.86Å; V585-Q587 PolarHBondContact O-N 2.93Å; Q587-V589 HydrophobicContact CG-CG2 4.24Å
588	Q	89.7	Confident	86.8	Confident	74 Å²	74	50.1 Å²	50.1	35%	0.346	28%	0.283	S	S	.	.			trans	-74.7	128.5	169.5	170.5	-176.1	49.6	0	0	110.3	R519 D949 R950	R519-Q588 PolarHBondContact NH2-O 3.02Å; Q588-D949 HydrophobicContact CG-CB 4.01Å; Q588-D949 WeakPolarHBondContact CG-OD2 3.24Å; Q588-D949 PolarHBondContact NE2-OD2 3.18Å; Q588-R950 HydrophobicContact CB-CG 3.63Å; Q588-R950 HydrophobicContact CG-CG 4.5Å
589	V	91.3	Very high	87.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.			trans	-127.7	130.8	175.6	-178.5	0	0	0	0	107.2	L516 P517 I528 L570 Q587 I591 D949	L516-V589 HydrophobicContact CD2-CG2 4.14Å; L516-V589 HydrophobicContact CG-CG2 4.49Å; P517-V589 HydrophobicContact CG-CG1 4.3Å; P517-V589 HydrophobicContact CG-CG2 4.27Å; I528-V589 HydrophobicContact CG1-CG1 3.89Å; L570-V589 HydrophobicContact CD1-CB 4.42Å; L570-V589 HydrophobicContact CD1-CG1 4.41Å; Q587-V589 HydrophobicContact CG-CG2 4.24Å; V589-I591 PolarHBondContact O-N 3.39Å; V589-D949 PolarHBondContact N-O 3.45Å
590	V	93.5	Very high	88.5	Confident	61 Å²	61	43.4 Å²	43.4	37%	0.37	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-72.3	129.7	-178.2	175.5	0	0	0	0	110.2	S525 R526 S527 I528 P592	S525-V590 WeakPolarHBondContact O-CG2 3.22Å; S525-V590 VanDerWaalsContact OG-CG2 3.31Å; S525-V590 WeakPolarHBondContact OG-CG2 3.47Å; R526-V590 PolarHBondContact O-N 3.2Å; R526-V590 VanDerWaalsContact O-N 3.17Å; S527-V590 CarbonylContact C-O 3.51Å; S527-V590 WeakPolarHBondContact CA-O 3.32Å; I528-V590 PolarHBondContact N-O 3.12Å; V590-P592 VanDerWaalsContact O-CD 3.28Å; V590-P592 WeakPolarHBondContact O-CD 3.4Å
591	I	95.8	Very high	89.5	Confident	6 Å²	6	40 Å²	40	3%	0.031	22%	0.215	C	C	.	.			trans	-100	99.6	-179.2	-56.7	163.1	0	0	0	108.1	I528 V589 L900 I903 Q945 R948 F955	I528-I591 HydrophobicContact CD1-CB 4.36Å; I528-I591 HydrophobicContact CD1-CG1 4.03Å; I528-I591 HydrophobicContact CD1-CG2 4.23Å; V589-I591 PolarHBondContact O-N 3.39Å; I591-L900 HydrophobicContact CG2-CD2 3.85Å; I591-I903 HydrophobicContact CD1-CD1 4.09Å; I591-I903 HydrophobicContact CG2-CD1 4.05Å; I591-Q945 HydrophobicContact CG2-CG 4.48Å; I591-Q945 PolarHBondContact O-NE2 3Å; I591-R948 VanDerWaalsContact CD1-C 3.49Å; I591-R948 HydrophobicContact CD1-CB 3.95Å; I591-F955 HydrophobicContact CB-CE1 4.5Å; I591-F955 HydrophobicContact CD1-CE1 3.75Å; I591-F955 HydrophobicContact CD1-CZ 4.29Å; I591-F955 HydrophobicContact CG1-CE1 3.73Å; I591-F955 HydrophobicContact CG1-CZ 4.27Å; I591-F955 HydrophobicContact CG2-CD1 4.14Å; I591-F955 HydrophobicContact CG2-CE1 3.94Å
592	P	95.6	Very high	90.6	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.065	21%	0.205	C	C	.	.			trans	-71.7	155.8	178.9	32.8	-36.6	0	0	0	111.2	V590 Y594 L595 A889 Y957	V590-P592 VanDerWaalsContact O-CD 3.28Å; V590-P592 WeakPolarHBondContact O-CD 3.4Å; P592-Y594 WeakPolarHBondContact CB-O 3.3Å; P592-L595 HydrophobicContact CG-CD2 3.51Å; P592-L595 HydrophobicContact CG-CG 4.09Å; P592-A889 HydrophobicContact CB-CB 3.68Å; P592-Y957 PolarHBondContact O-OH 2.86Å
593	R	96.4	Very high	91.3	Very high	88 Å²	88	44.2 Å²	44.2	33%	0.332	23%	0.234	S	C	.	.	S	Bend	trans	-78.6	-30.9	177.8	159.4	174.9	168.2	151.4	-14.9	111.6	A889 L900 E941	R593-A889 WeakPolarHBondContact CA-O 3.27Å; R593-A889 WeakPolarHBondContact CB-O 3.47Å; R593-A889 PolarHBondContact N-O 3.34Å; R593-L900 WeakPolarHBondContact O-CB 3.41Å; R593-L900 PolarHBondContact O-N 3.33Å; R593-E941 WeakPolarHBondContact CD-OE1 3.39Å; R593-E941 VanDerWaalsContact CG-OE1 3.28Å; R593-E941 WeakPolarHBondContact CG-OE1 3.43Å; R593-E941 IonicContact CZ-OE2 3.89Å; R593-E941 IonicContact NE-OE2 3.9Å; R593-E941 IonicContact NH1-OE2 2.7Å; R593-E941 PolarHBondContact NH1-OE2 3.43Å
594	Y	98	Very high	91.9	Very high	16 Å²	16	44 Å²	44	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.5	164	-56.4	-99.1	0	0	0	111.9	P592 N888 A889 E890 G892 Y898 R899 K960	P592-Y594 WeakPolarHBondContact CB-O 3.3Å; Y594-N888 WeakPolarHBondContact CB-O 3.26Å; Y594-A889 PolarHBondContact N-O 2.85Å; Y594-A889 WeakPolarHBondContact O-CA 3.44Å; Y594-E890 VanDerWaalsContact CE2-O 3.29Å; Y594-E890 WeakPolarHBondContact CE2-O 3.32Å; Y594-G892 VanDerWaalsContact CD2-N 3.29Å; Y594-Y898 CarbonylContact C-O 3.53Å; Y594-Y898 WeakPolarHBondContact CA-O 3.15Å; Y594-R899 HydrophobicContact CD1-CB 3.95Å; Y594-R899 HydrophobicContact CE1-CB 3.74Å; Y594-R899 HydrophobicContact CE1-CG 4.23Å; Y594-K960 HydrophobicContact CE1-CD 4.06Å; Y594-K960 HydrophobicContact CE1-CG 4.33Å
595	L	96.7	Very high	92.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	165	161.8	-69.9	169.9	0	0	0	109.7	I528 Q529 L532 L568 P592 S897 Y898 Y957	I528-L595 HydrophobicContact CB-CD2 4.44Å; I528-L595 HydrophobicContact CG2-CD1 4.07Å; I528-L595 HydrophobicContact CG2-CD2 4.21Å; Q529-L595 HydrophobicContact CB-CD2 3.79Å; Q529-L595 HydrophobicContact CG-CD2 4.49Å; L532-L595 HydrophobicContact CD2-CD1 4.27Å; L568-L595 HydrophobicContact CD1-CD1 3.47Å; L568-L595 VanDerWaalsContact CD1-CD1 3.47Å; P592-L595 HydrophobicContact CG-CD2 3.51Å; P592-L595 HydrophobicContact CG-CG 4.09Å; L595-S897 CarbonylContact O-C 3.48Å; L595-S897 WeakPolarHBondContact O-CA 3.33Å; L595-Y898 PolarHBondContact N-O 3.29Å; L595-Y898 PolarHBondContact O-N 3.05Å; L595-Y957 HydrophobicContact CB-CD1 4.45Å; L595-Y957 HydrophobicContact CB-CE1 4.42Å; L595-Y957 HydrophobicContact CD1-CD1 3.9Å; L595-Y957 HydrophobicContact CD1-CD2 3.72Å; L595-Y957 HydrophobicContact CD1-CE1 3.7Å; L595-Y957 HydrophobicContact CD1-CE2 3.48Å; L595-Y957 VanDerWaalsContact CD1-CE2 3.48Å; L595-Y957 HydrophobicContact CD1-CG 3.91Å; L595-Y957 VanDerWaalsContact CD1-CZ 3.48Å; L595-Y957 HydrophobicContact CG-CD1 4.05Å; L595-Y957 HydrophobicContact CG-CE1 3.63Å; L595-Y957 HydrophobicContact CG-CE2 4.29Å
596	T	96.3	Very high	92.9	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.3	163.6	-177	0	0	0	0	111.3	Q529 L598 L885 L894 P895	Q529-T596 PolarHBondContact NE2-O 3.49Å; Q529-T596 PolarHBondContact OE1-O 3.31Å; T596-L598 VanDerWaalsContact OG1-CB 3.31Å; T596-L598 WeakPolarHBondContact OG1-CB 3.29Å; T596-L598 PolarHBondContact OG1-N 2.97Å; T596-L885 HydrophobicContact CG2-CD2 3.6Å; T596-L894 HydrophobicContact CG2-CD1 3.85Å; T596-P895 PolarHBondContact OG1-O 2.8Å
597	L	96.1	Very high	93.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.			trans	-106	6.2	169.3	-58.1	-176.8	0	0	0	112.8	L532 F559 L562 L566 S599 H600 C601 H896 Y898	L532-L597 HydrophobicContact CD2-CD2 3.72Å; F559-L597 HydrophobicContact CD2-CD1 4.38Å; F559-L597 HydrophobicContact CE1-CD1 4.17Å; F559-L597 HydrophobicContact CE2-CB 4.39Å; F559-L597 HydrophobicContact CE2-CD1 3.96Å; F559-L597 HydrophobicContact CE2-CD2 3.89Å; F559-L597 HydrophobicContact CE2-CG 4.31Å; F559-L597 HydrophobicContact CZ-CD1 3.83Å; F559-L597 HydrophobicContact CZ-CD2 4.06Å; L562-L597 HydrophobicContact CD2-CD1 3.59Å; L566-L597 HydrophobicContact CD2-CD1 4.33Å; L566-L597 HydrophobicContact CD2-CD2 4.09Å; L597-S599 VanDerWaalsContact C-N 3.34Å; L597-S599 PolarHBondContact O-N 3.41Å; L597-H600 CarbonylContact O-C 3.51Å; L597-H600 WeakPolarHBondContact O-CA 3.31Å; L597-H600 PolarHBondContact O-N 3.48Å; L597-C601 PolarHBondContact O-N 3.5Å; L597-C601 VanDerWaalsContact O-N 3.13Å; L597-C601 PolarHBondContact O-SG 3.19Å; L597-H896 HydrophobicContact CB-CB 4.27Å; L597-H896 PolarHBondContact N-O 2.94Å; L597-Y898 HydrophobicContact CD1-CD2 4.07Å; L597-Y898 HydrophobicContact CD1-CE2 3.42Å; L597-Y898 VanDerWaalsContact CD1-CE2 3.42Å; L597-Y898 HydrophobicContact CG-CD2 4.09Å; L597-Y898 HydrophobicContact CG-CE2 3.86Å
598	L	93.6	Very high	93.7	Very high	74 Å²	74	50.7 Å²	50.7	39%	0.387	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-51.1	-48.5	-173.2	177.1	62.2	0	0	0	113.3	T596 H600 C601 L894 P895	T596-L598 VanDerWaalsContact OG1-CB 3.31Å; T596-L598 WeakPolarHBondContact OG1-CB 3.29Å; T596-L598 PolarHBondContact OG1-N 2.97Å; L598-H600 PolarHBondContact O-N 2.91Å; L598-H600 VanDerWaalsContact O-N 3.17Å; L598-C601 PolarHBondContact O-N 3.32Å; L598-L894 HydrophobicContact CD2-CD2 4.34Å; L598-P895 HydrophobicContact CD1-CB 4.28Å; L598-P895 HydrophobicContact CD1-CG 4.49Å
599	S	91.9	Very high	93.5	Very high	61 Å²	61	51.3 Å²	51.3	43%	0.427	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.2	177.1	46.7	0	0	0	0	113.5	K558 L597	K558-S599 PolarHBondContact NZ-O 3.35Å; L597-S599 VanDerWaalsContact C-N 3.34Å; L597-S599 PolarHBondContact O-N 3.41Å
600	H	94	Very high	92.9	Very high	11 Å²	11	56.7 Å²	56.7	5%	0.051	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-107.3	1.2	-176.2	-51.9	-43.4	0	0	0	113.6	D533 F536 K558 F559 L597 L598	D533-H600 IonicContact OD1-CD2 3.28Å; D533-H600 IonicContact OD1-CE1 2.76Å; D533-H600 IonicContact OD1-NE2 3.75Å; D533-H600 PolarHBondContact OD1-NE2 3.22Å; F536-H600 HydrophobicContact CB-CB 4.46Å; F536-H600 VanDerWaalsContact CB-CE1 3.49Å; F536-H600 WeakPolarHBondContact CB-CE1 3.26Å; F536-H600 VanDerWaalsContact CB-ND1 3.28Å; F536-H600 WeakPolarHBondContact CB-ND1 3.46Å; F536-H600 HydrophobicContact CD1-CB 4.36Å; F536-H600 AromaticContact CD2-CD2 3.99Å; F536-H600 HydrophobicContact CG-CB 4.23Å; F536-H600 AromaticContact CG-CG 3.8Å; F536-H600 AromaticContact CG-ND1 3.95Å; K558-H600 CarbonylContact C-O 3.51Å; K558-H600 VanDerWaalsContact CA-O 3.25Å; K558-H600 WeakPolarHBondContact CA-O 3.32Å; K558-H600 WeakPolarHBondContact CB-O 3.25Å; K558-H600 VanDerWaalsContact CD-O 3.27Å; K558-H600 WeakPolarHBondContact CD-O 3.43Å; F559-H600 HydrophobicContact CD2-CB 3.74Å; F559-H600 HydrophobicContact CE2-CB 3.85Å; F559-H600 PolarHBondContact N-O 2.88Å; L597-H600 CarbonylContact O-C 3.51Å; L597-H600 WeakPolarHBondContact O-CA 3.31Å; L597-H600 PolarHBondContact O-N 3.48Å; L598-H600 PolarHBondContact O-N 2.91Å; L598-H600 VanDerWaalsContact O-N 3.17Å
601	C	94.6	Very high	92.2	Very high	17 Å²	17	54.3 Å²	54.3	12%	0.115	28%	0.284	C	S	.	.			trans	-97.5	173.4	174.9	-66.8	0	0	0	0	112.3	L597 L598 T605	L597-C601 PolarHBondContact O-N 3.5Å; L597-C601 VanDerWaalsContact O-N 3.13Å; L597-C601 PolarHBondContact O-SG 3.19Å; L598-C601 PolarHBondContact O-N 3.32Å; C601-T605 WeakPolarHBondContact CA-OG1 3.41Å; C601-T605 HydrophobicContact CB-CG2 4.31Å
602	T	92	Very high	90.4	Very high	61 Å²	61	57.1 Å²	57.1	37%	0.374	31%	0.314	S	S	.	.			trans	-137.9	166.3	171.6	56.1	0	0	0	0	108.9	K558 S604 T605	K558-T602 HydrophobicContact CB-CG2 4.23Å; K558-T602 HydrophobicContact CG-CG2 4.11Å; T602-S604 PolarHBondContact O-N 2.86Å; T602-S604 PolarHBondContact OG1-OG 3.3Å; T602-T605 PolarHBondContact N-OG1 3.33Å; T602-T605 WeakPolarHBondContact O-CB 3.29Å; T602-T605 PolarHBondContact O-N 3.33Å; T602-T605 PolarHBondContact O-OG1 2.93Å; T602-T605 PolarHBondContact OG1-OG1 2.79Å
603	E	89.3	Confident	88.3	Confident	216 Å²	216	60.9 Å²	60.9	100%	1.009	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.7	175	-60.3	-177.7	166	0	0	113.6
604	S	90.8	Very high	85.5	Confident	86 Å²	86	61.5 Å²	61.5	60%	0.601	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-3	176.6	53.7	0	0	0	0	114.7	T602 R606	T602-S604 PolarHBondContact O-N 2.86Å; T602-S604 PolarHBondContact OG1-OG 3.3Å; S604-R606 PolarHBondContact O-N 3.12Å
605	T	94.7	Very high	82.5	Confident	16 Å²	16	64.6 Å²	64.6	10%	0.098	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-64.8	124.5	177.5	-59.5	0	0	0	0	110.4	F559 L562 C601 T602	F559-T605 HydrophobicContact CB-CG2 4.02Å; F559-T605 WeakPolarHBondContact O-CB 3.34Å; F559-T605 WeakPolarHBondContact O-CG2 3.46Å; F559-T605 PolarHBondContact O-OG1 2.85Å; L562-T605 HydrophobicContact CD1-CG2 4.24Å; L562-T605 HydrophobicContact CD2-CG2 4.26Å; L562-T605 HydrophobicContact CG-CG2 3.78Å; C601-T605 WeakPolarHBondContact CA-OG1 3.41Å; C601-T605 HydrophobicContact CB-CG2 4.31Å; T602-T605 PolarHBondContact N-OG1 3.33Å; T602-T605 WeakPolarHBondContact O-CB 3.29Å; T602-T605 PolarHBondContact O-N 3.33Å; T602-T605 PolarHBondContact O-OG1 2.93Å; T602-T605 PolarHBondContact OG1-OG1 2.79Å
606	R	94.5	Very high	79.5	Confident	152 Å²	152	73 Å²	73	57%	0.574	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-77.6	126.9	175.4	-60	175.3	-176.3	171.9	1.7	109.8	N560 R561 L562 S604	N560-R606 WeakPolarHBondContact O-CB 3.3Å; N560-R606 PolarHBondContact O-N 2.87Å; R561-R606 WeakPolarHBondContact CA-O 3.34Å; R561-R606 HydrophobicContact CB-CB 4.32Å; R561-R606 HydrophobicContact CG-CB 4.2Å; L562-R606 PolarHBondContact N-O 2.91Å; S604-R606 PolarHBondContact O-N 3.12Å
607	L	93.3	Very high	76.4	Confident	98 Å²	98	79 Å²	79	51%	0.513	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-57	164.5	169.7	-68.1	177.9	0	0	0	112
608	P	90.3	Very high	73.2	Confident	15 Å²	15	83.6 Å²	83.6	10%	0.097	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-56.2	156.2	171.5	-23.5	35.5	0	0	0	112.5	L562 P563 R564 T610 H959	L562-P608 HydrophobicContact CB-CG 3.95Å; L562-P608 WeakPolarHBondContact O-CA 3.34Å; P563-P608 VanDerWaalsContact O-CG 3.28Å; P563-P608 WeakPolarHBondContact O-CG 3.5Å; R564-P608 HydrophobicContact CG-CB 3.97Å; P608-T610 PolarHBondContact O-N 3.35Å; P608-H959 HydrophobicContact CG-CB 3.95Å
609	L	85.2	Confident	70.3	Confident	88 Å²	88	87.8 Å²	87.8	46%	0.461	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-66.2	127.3	173.3	-65.2	168.8	0	0	0	109.5	R564	R564-L609 PolarHBondContact NE-O 3.28Å
610	T	78.6	Confident	67.4	Low	112 Å²	112	89.4 Å²	89.4	69%	0.687	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-59	160.5	179.2	52	0	0	0	0	112.3	R564 P608 G612	R564-T610 PolarHBondContact NH2-O 3.29Å; P608-T610 PolarHBondContact O-N 3.35Å; T610-G612 PolarHBondContact O-N 2.97Å; T610-G612 VanDerWaalsContact O-N 3.11Å
611	L	79.7	Confident	64.2	Low	11 Å²	11	100.2 Å²	100.2	6%	0.058	57%	0.565	C	S	.	*			trans	-76.7	97.4	177.2	-57.2	-172.5	0	0	0	110.2	W613 I962 E965 L966	L611-W613 HydrophobicContact CB-CE3 4.04Å; L611-W613 HydrophobicContact CB-CZ3 4.15Å; L611-W613 HydrophobicContact CD1-CZ3 4.47Å; L611-W613 HydrophobicContact CD2-CZ3 3.94Å; L611-W613 HydrophobicContact CG-CZ3 4.42Å; L611-W613 PolarHBondContact O-N 2.96Å; L611-I962 HydrophobicContact CD1-CG2 4.24Å; L611-I962 HydrophobicContact CD2-CG2 3.92Å; L611-I962 HydrophobicContact CG-CD1 4.37Å; L611-I962 HydrophobicContact CG-CG2 4.26Å; L611-E965 HydrophobicContact CD1-CG 4.07Å; L611-E965 WeakPolarHBondContact CG-OE2 3.41Å; L611-L966 HydrophobicContact CD1-CD2 3.56Å; L611-L966 HydrophobicContact CD1-CG 3.75Å
612	G	56.2	Low	61.2	Low	65 Å²	65	104.8 Å²	104.8	67%	0.67	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	41.5	-175.1	0	0	0	0	0	115.9	T610	T610-G612 PolarHBondContact O-N 2.97Å; T610-G612 VanDerWaalsContact O-N 3.11Å
613	W	52.8	Low	58.2	Low	90 Å²	90	110.2 Å²	110.2	34%	0.341	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.1	-4.8	178.9	-67.1	-53.9	0	0	0	114.8	S366 N369 L611 A615	S366-W613 VanDerWaalsContact O-CH2 3.3Å; S366-W613 WeakPolarHBondContact O-CH2 3.47Å; N369-W613 HydrophobicContact CB-CD2 4.29Å; N369-W613 HydrophobicContact CB-CE3 4.37Å; N369-W613 HydrophobicContact CB-CH2 3.51Å; N369-W613 HydrophobicContact CB-CZ2 3.3Å; N369-W613 HydrophobicContact CB-CZ3 4.01Å; L611-W613 HydrophobicContact CB-CE3 4.04Å; L611-W613 HydrophobicContact CB-CZ3 4.15Å; L611-W613 HydrophobicContact CD1-CZ3 4.47Å; L611-W613 HydrophobicContact CD2-CZ3 3.94Å; L611-W613 HydrophobicContact CG-CZ3 4.42Å; L611-W613 PolarHBondContact O-N 2.96Å; W613-A615 PolarHBondContact O-N 3.41Å; W613-A615 VanDerWaalsContact O-N 3.11Å
614	S	37	Very low	55.3	Low	100 Å²	100	109 Å²	109	70%	0.699	61%	0.612	S	S	*	*			trans	-68.9	104.5	164.8	43.8	0	0	0	0	110.1
615	A	35	Very low	52.3	Low	81 Å²	81	109.5 Å²	109.5	67%	0.669	62%	0.621	S	S	*	*			trans	-67.2	149.4	171.2	0	0	0	0	0	110.5	W613	W613-A615 PolarHBondContact O-N 3.41Å; W613-A615 VanDerWaalsContact O-N 3.11Å
616	H	34	Very low	49.1	Very low	176 Å²	176	114.3 Å²	114.3	82%	0.815	66%	0.656	S	S	*	*	S	Bend	trans	71.5	134.7	-173.1	-45.7	-82.8	0	0	0	114.4
617	S	31.8	Very low	46	Very low	130 Å²	130	116 Å²	116	91%	0.909	67%	0.67	S	S	*	*	S	Bend	trans	79.1	33.9	176.3	-50.4	0	0	0	0	118.8
618	A	27.7	Very low	42.8	Very low	95 Å²	95	119.3 Å²	119.3	79%	0.785	69%	0.685	S	S	*	*			trans	-129	65.4	164.1	0	0	0	0	0	112.3
619	I	33.4	Very low	39.8	Very low	162 Å²	162	125.3 Å²	125.3	83%	0.831	72%	0.721	S	S	*	*			trans	-64.8	140.6	171	-64.4	176.4	0	0	0	109.4	R621	I619-R621 PolarHBondContact O-N 3Å
620	S	30.5	Very low	37.1	Very low	96 Å²	96	127.5 Å²	127.5	67%	0.671	73%	0.733	S	S	*	*			trans	-53.1	129.4	-172	45.4	0	0	0	0	114.3
621	R	27.4	Very low	34.6	Very low	237 Å²	237	128.2 Å²	128.2	89%	0.894	74%	0.743	S	S	*	*			trans	-116	110.8	155.9	-78.2	-173.4	172.7	178.4	-0.6	108.8	I619 L623	I619-R621 PolarHBondContact O-N 3Å; R621-L623 PolarHBondContact O-N 2.9Å
622	P	31.1	Very low	31.9	Very low	113 Å²	113	133.5 Å²	133.5	73%	0.734	78%	0.779	S	S	*	*			trans	-67.7	130.2	176	27.3	-32.9	0	0	0	110.1	K624	P622-K624 PolarHBondContact O-N 2.74Å
623	L	29.5	Very low	30.4	Very low	176 Å²	176	136.7 Å²	136.7	92%	0.921	79%	0.786	S	S	*	*			trans	-65.6	99.5	169.5	-72.9	168.5	0	0	0	108.9	R621 A625	R621-L623 PolarHBondContact O-N 2.9Å; L623-A625 PolarHBondContact O-N 2.66Å
624	K	27.5	Very low	29.1	Very low	190 Å²	190	138.9 Å²	138.9	83%	0.826	81%	0.809	S	S	*	*			trans	-63.1	120.3	170.6	-77.2	-171.6	175.1	-176.9	0	109.3	P622 S626	P622-K624 PolarHBondContact O-N 2.74Å; K624-S626 PolarHBondContact O-N 2.74Å
625	A	27.7	Very low	28.5	Very low	96 Å²	96	138.5 Å²	138.5	79%	0.793	81%	0.806	S	S	*	*			trans	-68.7	111.7	161.8	0	0	0	0	0	108.5	L623 Q627	L623-A625 PolarHBondContact O-N 2.66Å; A625-Q627 PolarHBondContact O-N 3.45Å
626	S	28.3	Very low	27.9	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	81%	0.812	S	S	*	*			trans	-77.2	105.6	175.3	-76.7	0	0	0	0	110.7	K624	K624-S626 PolarHBondContact O-N 2.74Å
627	Q	28.5	Very low	27.5	Very low	187 Å²	187	138 Å²	138	87%	0.874	81%	0.813	S	S	*	*			trans	-68.9	140.3	152.8	-70.8	177.9	-26.3	0	0	108.9	A625	A625-Q627 PolarHBondContact O-N 3.45Å
628	M	27.1	Very low	27.3	Very low	168 Å²	168	138.3 Å²	138.3	83%	0.828	81%	0.809	S	S	*	*			trans	-81.9	134.8	174.8	-69.8	173.7	61.7	0	0	110.8
629	V	27	Very low	27.7	Very low	141 Å²	141	138.9 Å²	138.9	86%	0.855	81%	0.805	S	S	*	*			trans	-134.6	129.9	157.5	-175.5	0	0	0	0	107.6
630	N	27.6	Very low	27.2	Very low	134 Å²	134	136 Å²	136	72%	0.717	80%	0.798	S	S	*	*			trans	-78.9	137.5	-176.4	-65.3	-27	0	0	0	111.8
631	S	25.9	Very low	26.9	Very low	128 Å²	128	142 Å²	142	90%	0.895	81%	0.806	S	S	*	*			trans	-166.8	132.1	146.3	-82	0	0	0	0	110.4
632	C	23	Very low	26.8	Very low	121 Å²	121	139.1 Å²	139.1	82%	0.818	80%	0.8	S	S	*	*			trans	-117.6	139	174.8	-57.6	0	0	0	0	109.4
633	T	24.6	Very low	26.4	Very low	133 Å²	133	143.6 Å²	143.6	82%	0.816	80%	0.804	S	S	*	*			trans	-178.8	124.5	141	22.5	0	0	0	0	113.2
634	V	25.9	Very low	26.1	Very low	135 Å²	135	140.3 Å²	140.3	82%	0.818	79%	0.791	S	S	*	*			trans	45.8	150.1	149.8	-97.2	0	0	0	0	121.5
635	S	24.2	Very low	26	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	79%	0.791	S	S	*	*			cis	-152.3	158.9	10	-80.9	0	0	0	0	112.1
636	T	23.2	Very low	25.8	Very low	130 Å²	130	144.3 Å²	144.3	80%	0.798	79%	0.791	S	S	*	*			trans	38.7	125.5	147.1	57.8	0	0	0	0	120
637	S	25.7	Very low	25.6	Very low	118 Å²	118	144 Å²	144	83%	0.825	79%	0.789	S	S	*	*				-172.3	168.3	67.6	43.3	0	0	0	0	114
638	T	26.7	Very low	25.5	Very low	136 Å²	136	145.2 Å²	145.2	83%	0.834	79%	0.791	S	S	*	*			trans	-131.4	173.6	-178.4	12	0	0	0	0	109
639	P	37.8	Very low	25.3	Very low	107 Å²	107	142.1 Å²	142.1	70%	0.695	79%	0.786	S	S	*	*			cis	-136.9	-176.3	-5.3	34	-12.8	0	0	0	115.9
640	C	22.1	Very low	25.2	Very low	101 Å²	101	140.3 Å²	140.3	68%	0.682	78%	0.779	S	S	*	*				118.9	134.3	120.8	-116.2	0	0	0	0	121.4
641	R	24.8	Very low	25	Very low	222 Å²	222	140.3 Å²	140.3	84%	0.838	78%	0.784	S	S	*	*			trans	65	101.2	144.4	-79	169.4	-177.5	-171.7	-0.2	121.2
642	K	25.2	Very low	25	Very low	177 Å²	177	138.3 Å²	138.3	77%	0.77	78%	0.776	S	S	*	*				4.7	131.5	113	-55.8	-179.2	178.7	-173.3	0	115.6
643	Y	22.8	Very low	25	Very low	207 Å²	207	140.2 Å²	140.2	81%	0.812	78%	0.777	S	S	*	*				-169.3	158.1	93.6	-103.5	-71	0	0	0	113.2
644	T	23.1	Very low	25	Very low	107 Å²	107	143.2 Å²	143.2	66%	0.656	78%	0.775	S	S	*	*			trans	-62	162.3	168.4	52.9	0	0	0	0	113
645	F	23.8	Very low	25	Very low	189 Å²	189	142.7 Å²	142.7	83%	0.829	77%	0.771	S	S	*	*				-156.2	176.5	115.5	-129.3	-97.1	0	0	0	114.2
646	K	24	Very low	25	Very low	180 Å²	180	144.5 Å²	144.5	78%	0.783	77%	0.774	S	S	*	*			trans	-94.4	167.2	-165.9	-61.9	177.6	177.9	179.4	0	114
647	S	25.3	Very low	25.4	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	77%	0.771	S	S	*	*			trans	-61.2	148.3	165.4	50.5	0	0	0	0	114.3
648	K	25	Very low	25.3	Very low	212 Å²	212	144.9 Å²	144.9	92%	0.922	77%	0.77	S	S	*	*				-169.3	175.3	125.6	-104.5	174.5	-178.2	-173	0	110.5
649	S	23.6	Very low	25.5	Very low	104 Å²	104	142.9 Å²	142.9	73%	0.727	76%	0.762	S	S	*	*			trans	-126.4	175.9	-155.5	63	0	0	0	0	115
650	S	25.9	Very low	24.9	Very low	102 Å²	102	145.2 Å²	145.2	71%	0.713	77%	0.768	S	S	*	*			trans	95.4	147.7	148.1	-51	0	0	0	0	119.6
651	T	23.4	Very low	25.2	Very low	134 Å²	134	147.5 Å²	147.5	82%	0.822	77%	0.773	S	S	*	*			trans	74.9	109	161.6	-40.4	0	0	0	0	115.6
652	A	24.6	Very low	25.4	Very low	86 Å²	86	143.9 Å²	143.9	71%	0.711	77%	0.766	S	S	*	*			cis	105.5	164.2	25.1	0	0	0	0	0	113.9
653	L	23.5	Very low	26.1	Very low	161 Å²	161	139.8 Å²	139.8	84%	0.843	76%	0.758	S	S	*	*			trans	86.6	144.7	-168.3	-54.6	170.8	0	0	0	115.1
654	Y	23.6	Very low	26.4	Very low	197 Å²	197	135.6 Å²	135.6	77%	0.773	75%	0.749	S	S	*	*			cis	-170.1	178	-35.1	-140.9	-97.2	0	0	0	107.8
655	V	27.3	Very low	26.5	Very low	123 Å²	123	138 Å²	138	75%	0.745	75%	0.75	S	S	*	*			trans	85.4	131.2	172.7	-179.3	0	0	0	0	116.7
656	D	22.9	Very low	26.6	Very low	131 Å²	131	139.8 Å²	139.8	70%	0.701	75%	0.751	S	S	*	*			cis	-154.9	-104.4	-28.9	-92.1	-27.3	0	0	0	110.8
657	S	31.9	Very low	26.6	Very low	104 Å²	104	136 Å²	136	73%	0.727	75%	0.747	S	S	*	*			trans	-109.4	160.7	-158.9	-42.2	0	0	0	0	115.4
658	D	24.3	Very low	26.5	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	75%	0.749	S	S	*	*				-161.9	158.4	64.7	-106.5	-14.6	0	0	0	116.2
659	S	29.7	Very low	26.6	Very low	94 Å²	94	130.9 Å²	130.9	66%	0.657	74%	0.737	S	S	*	*			trans	-11.2	154.6	159	-43	0	0	0	0	120.4
660	D	26.9	Very low	26.7	Very low	155 Å²	155	134.5 Å²	134.5	83%	0.829	74%	0.742	S	S	*	*			cis	-160.6	-164	-7.4	-94.7	-24.5	0	0	0	106.7
661	D	28.2	Very low	26.6	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	74%	0.736	S	S	*	*			cis	-158	178.4	13.5	-166.4	3.7	0	0	0	110.4
662	E	28.1	Very low	26.7	Very low	146 Å²	146	134.1 Å²	134.1	68%	0.682	73%	0.729	S	S	*	*			trans	-95.9	-154.4	165	-114.7	-100.7	120.5	0	0	108.9
663	P	40.7	Very low	26.7	Very low	92 Å²	92	139.4 Å²	139.4	60%	0.597	73%	0.731	S	S	*	*			cis	-132.7	159.8	-9.3	11.4	16.1	0	0	0	119.2
664	L	27.9	Very low	26.7	Very low	118 Å²	118	138.7 Å²	138.7	62%	0.618	73%	0.727	S	S	*	*			trans	72.3	135.9	136.2	-69	169.7	0	0	0	125.7
665	K	26.3	Very low	26.6	Very low	157 Å²	157	134.4 Å²	134.4	68%	0.683	73%	0.725	S	S	*	*			trans	85	122.3	135.8	-77.3	162.3	-174.3	164.3	0	123.4
666	R	25.1	Very low	26.4	Very low	228 Å²	228	132.6 Å²	132.6	86%	0.86	72%	0.718	S	S	*	*				40	143.6	114.6	-74.7	179	177.4	125.1	-1	119.4
667	S	23.8	Very low	26.4	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	72%	0.719	S	S	*	*			cis	-175.7	152.6	16.7	40	0	0	0	0	115.7
668	V	24.6	Very low	25.9	Very low	135 Å²	135	136.2 Å²	136.2	82%	0.818	72%	0.722	S	S	*	*			trans	55.5	104.7	134.1	-176.5	0	0	0	0	122.2
669	A	26.1	Very low	25.8	Very low	80 Å²	80	133.6 Å²	133.6	66%	0.661	72%	0.715	S	S	*	*				61.9	156.3	125.8	0	0	0	0	0	126
670	H	25.7	Very low	25.7	Very low	180 Å²	180	139.3 Å²	139.3	83%	0.833	72%	0.722	S	S	*	*			trans	72.9	151.6	168.3	-67.5	-64.2	0	0	0	117.7
671	S	24.4	Very low	25.6	Very low	85 Å²	85	137.4 Å²	137.4	59%	0.594	71%	0.713	S	S	*	*			cis	-156.3	146.1	9.8	-140.1	0	0	0	0	116.2
672	Q	24.9	Very low	25.5	Very low	143 Å²	143	138.8 Å²	138.8	67%	0.668	71%	0.714	S	S	*	*			trans	56.5	148.1	132.1	-81.4	-172.1	18.3	0	0	126
673	R	24.9	Very low	25.4	Very low	197 Å²	197	139.9 Å²	139.9	74%	0.743	72%	0.719	S	S	*	*			trans	96.4	119.9	142.4	-78.4	153.8	-167.8	-112.9	0.5	122.2
674	L	23.4	Very low	24.7	Very low	146 Å²	146	144.6 Å²	144.6	76%	0.764	73%	0.733	S	S	*	*				63.2	156.2	128.8	-55.6	174.2	0	0	0	118.1
675	C	22.2	Very low	24.7	Very low	108 Å²	108	146.3 Å²	146.3	73%	0.73	74%	0.742	S	S	*	*			cis	-167	169.9	-0.2	-117.2	0	0	0	0	107.9
676	S	21.9	Very low	24.6	Very low	85 Å²	85	146.8 Å²	146.8	59%	0.594	75%	0.747	S	S	*	*			cis	176.8	162.2	-30.1	55	0	0	0	0	111.6
677	I	23.3	Very low	24.6	Very low	142 Å²	142	143.4 Å²	143.4	73%	0.728	74%	0.741	S	S	*	*			trans	79.5	116.6	147.3	-77.4	165.3	0	0	0	121
678	Q	22	Very low	24.5	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	74%	0.743	S	S	*	*			trans	69.3	115.6	136.1	-71.8	-172.5	-34.2	0	0	126.8
679	S	22.8	Very low	25.2	Very low	97 Å²	97	145.2 Å²	145.2	68%	0.678	74%	0.739	S	S	*	*				88	156.1	109.8	-59.8	0	0	0	0	124.7
680	R	25.8	Very low	25.3	Very low	214 Å²	214	148.7 Å²	148.7	81%	0.808	74%	0.742	S	S	*	*			trans	85.2	147.4	159.9	-46.7	-162.2	79.2	158.3	6.6	117.3
681	D	25.7	Very low	25.4	Very low	116 Å²	116	149.7 Å²	149.7	62%	0.62	74%	0.743	S	S	*	*			cis	-166.7	177	-20.4	-103.7	-10.1	0	0	0	110
682	Q	25.3	Very low	25.4	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	75%	0.752	S	S	*	*			trans	77.2	158.4	164.3	-64.4	-176.4	-6.6	0	0	119.6
683	Q	27.6	Very low	25.6	Very low	168 Å²	168	147.6 Å²	147.6	79%	0.785	76%	0.757	S	S	*	*			cis	177.3	129.8	-48.1	-117.1	-177.1	-17.2	0	0	110.1
684	Q	26	Very low	25.7	Very low	192 Å²	192	147.9 Å²	147.9	90%	0.897	76%	0.764	S	S	*	*			trans	-165.2	169.7	138.8	-114.4	172	-6.6	0	0	111.2
685	L	26.9	Very low	25.8	Very low	153 Å²	153	152.8 Å²	152.8	80%	0.801	77%	0.772	S	S	*	*			trans	-119	164.7	-160.4	-49.8	92	0	0	0	112.8
686	Q	23.9	Very low	25.8	Very low	167 Å²	167	153.6 Å²	153.6	78%	0.78	78%	0.779	S	S	*	*				-175.1	117.9	105	-165	149.4	10.2	0	0	114.7
687	E	25.1	Very low	26	Very low	158 Å²	158	159.1 Å²	159.1	74%	0.738	79%	0.792	S	S	*	*			trans	40.5	111	146.1	-61	170.1	132.4	0	0	124
688	E	21.6	Very low	26	Very low	161 Å²	161	160.5 Å²	160.5	75%	0.752	80%	0.798	S	S	*	*				35.5	160	111.6	-69.5	-56.6	124.6	0	0	122.4	E690	E688-E690 PolarHBondContact OE2-N 3.24Å
689	P	39.2	Very low	26.1	Very low	112 Å²	112	160.6 Å²	160.6	73%	0.727	80%	0.798	S	S	*	*			cis	-138.5	152.6	20.9	36.7	-15.3	0	0	0	121.5
690	E	28.9	Very low	26.1	Very low	153 Å²	153	161.1 Å²	161.1	72%	0.715	80%	0.8	S	S	*	*			trans	37.4	132.3	141.6	-57.3	-162.6	145.6	0	0	124.8	E688	E688-E690 PolarHBondContact OE2-N 3.24Å
691	K	28	Very low	26	Very low	200 Å²	200	158.6 Å²	158.6	87%	0.87	80%	0.803	S	S	*	*				176.5	155.3	101.2	-97.3	168.4	-175.2	167.1	0	113.6
692	G	24.4	Very low	26.3	Very low	76 Å²	76	161.8 Å²	161.8	78%	0.784	81%	0.811	S	S	*	*			trans	142.7	-5.2	143.5	0	0	0	0	0	123.3
693	S	27.8	Very low	26.5	Very low	109 Å²	109	159 Å²	159	76%	0.762	81%	0.808	S	S	*	*			trans	14.1	123.2	164.7	-168.2	0	0	0	0	121.5
694	K	27.8	Very low	26.3	Very low	203 Å²	203	159.7 Å²	159.7	88%	0.883	81%	0.812	S	S	*	*				-177.4	153.3	110.5	-99.6	171.6	-174.1	179.5	0	115.2
695	R	24.8	Very low	26.8	Very low	249 Å²	249	159.5 Å²	159.5	94%	0.94	82%	0.816	S	S	*	*			trans	-102.1	152.5	169.1	-82	176.8	165.9	172.5	-4.5	111.2
696	S	23.4	Very low	26.7	Very low	125 Å²	125	155.4 Å²	155.4	87%	0.874	81%	0.81	S	S	*	*			trans	-148.5	167.3	136.2	63.1	0	0	0	0	109.5
697	K	25.5	Very low	27.4	Very low	201 Å²	201	155.7 Å²	155.7	87%	0.874	82%	0.817	S	S	*	*			trans	-156.4	115.1	-171.9	177.1	-153.6	173.8	-166.4	0	110.8
698	M	23	Very low	27.5	Very low	171 Å²	171	152.8 Å²	152.8	84%	0.842	82%	0.82	S	S	*	*			trans	-179	152	164.6	-97.8	161.5	101.2	0	0	106.5
699	E	24.1	Very low	28.1	Very low	169 Å²	169	148.1 Å²	148.1	79%	0.79	82%	0.815	S	S	*	*			cis	-151	-175.6	-22.9	-168.9	142.3	-163.1	0	0	107.8
700	C	23.1	Very low	28.1	Very low	109 Å²	109	149 Å²	149	74%	0.736	81%	0.808	S	S	*	*			trans	-83.9	137.2	-178.8	177.2	0	0	0	0	112
701	D	23.2	Very low	28.3	Very low	160 Å²	160	149.9 Å²	149.9	86%	0.856	82%	0.818	S	S	*	*			trans	-146.6	157.3	154.5	-110.7	-39.3	0	0	0	111.5
702	K	33.6	Very low	28.6	Very low	184 Å²	184	144.1 Å²	144.1	80%	0.8	82%	0.815	S	S	*	*			trans	-107.8	146.1	177.7	-73	-178.9	177.1	178.5	0	111.4
703	P	27.9	Very low	29.8	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	80%	0.795	S	S	*	*				-111.7	133.7	129	-5.4	25.4	0	0	0	108.9
704	E	25	Very low	31.4	Very low	183 Å²	183	141.5 Å²	141.5	86%	0.855	78%	0.777	S	S	*	*				70	128	67.7	-66	-153.4	142.7	0	0	114.3	G706	E704-G706 PolarHBondContact O-N 2.87Å
705	L	35.5	Very low	33.1	Very low	189 Å²	189	134.3 Å²	134.3	99%	0.99	75%	0.747	S	S	*	*			trans	-87.8	70	-165.2	-166.2	73.1	0	0	0	111.6
706	G	24.3	Very low	34.8	Very low	66 Å²	66	124.3 Å²	124.3	68%	0.68	71%	0.712	S	S	*	*			trans	-75.3	130	177	0	0	0	0	0	113.2	E704 A708	E704-G706 PolarHBondContact O-N 2.87Å; G706-A708 VanDerWaalsContact C-N 3.3Å; G706-A708 PolarHBondContact O-N 3.49Å
707	N	39.3	Very low	37.1	Very low	174 Å²	174	122.8 Å²	122.8	93%	0.93	69%	0.691	S	S	*	*			trans	-78.5	73.2	179.9	-162.7	16.7	0	0	0	111.5	G709	N707-G709 PolarHBondContact O-N 3.31Å
708	A	27.8	Very low	39.3	Very low	97 Å²	97	114.7 Å²	114.7	80%	0.802	66%	0.657	S	S	*	*			trans	-77.8	114.1	-174.9	0	0	0	0	0	112.4	G706	G706-A708 VanDerWaalsContact C-N 3.3Å; G706-A708 PolarHBondContact O-N 3.49Å
709	G	34.5	Very low	41.4	Very low	63 Å²	63	107 Å²	107	65%	0.649	62%	0.619	S	S	*	*			trans	-72.2	172.1	177.1	0	0	0	0	0	114.5	N707 D711	N707-G709 PolarHBondContact O-N 3.31Å; G709-D711 PolarHBondContact O-N 3.33Å
710	F	38.3	Very low	43.6	Very low	131 Å²	131	101.1 Å²	101.1	58%	0.575	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-64.4	12.1	-174.3	-73.9	-88.6	0	0	0	116.7	G712 M713 L718	F710-G712 VanDerWaalsContact C-N 3.28Å; F710-G712 PolarHBondContact O-N 3.08Å; F710-M713 HydrophobicContact CD1-SD 3.61Å; F710-M713 HydrophobicContact CE1-SD 4.09Å; F710-M713 PolarHBondContact O-N 3.46Å; F710-L718 HydrophobicContact CB-CD1 4.34Å; F710-L718 HydrophobicContact CD1-CD1 3.62Å; F710-L718 HydrophobicContact CE1-CD1 4.28Å; F710-L718 HydrophobicContact CG-CD1 4.27Å
711	D	33.9	Very low	45.8	Very low	171 Å²	171	97 Å²	97	91%	0.914	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-74.5	-13.1	-163.7	-145.6	39.6	0	0	0	114.5	G709	G709-D711 PolarHBondContact O-N 3.33Å
712	G	33.6	Very low	47.8	Very low	79 Å²	79	90.6 Å²	90.6	81%	0.814	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-101.6	-2.1	179.1	0	0	0	0	0	116.3	F710	F710-G712 VanDerWaalsContact C-N 3.28Å; F710-G712 PolarHBondContact O-N 3.08Å
713	M	49.3	Very low	49.4	Very low	75 Å²	75	82.5 Å²	82.5	37%	0.369	51%	0.505	S	S	.	.			trans	-87.4	136.4	-172.3	-64.2	-174	72	0	0	112.9	F710 E717 L718 A721	F710-M713 HydrophobicContact CD1-SD 3.61Å; F710-M713 HydrophobicContact CE1-SD 4.09Å; F710-M713 PolarHBondContact O-N 3.46Å; M713-E717 HydrophobicContact CE-CB 3.85Å; M713-L718 HydrophobicContact CB-CB 4.18Å; M713-A721 HydrophobicContact CE-CB 4.07Å
714	S	62.3	Low	51.2	Low	54 Å²	54	81 Å²	81	38%	0.378	49%	0.489	S	S	.	.			trans	-64.3	157.2	174.4	68.6	0	0	0	0	112.1	D716 E717 L718	S714-D716 PolarHBondContact O-N 2.97Å; S714-D716 VanDerWaalsContact O-N 3.09Å; S714-E717 VanDerWaalsContact CB-OE2 3.24Å; S714-E717 WeakPolarHBondContact CB-OE2 3.5Å; S714-E717 PolarHBondContact N-OE2 3.21Å; S714-E717 PolarHBondContact O-N 3.36Å; S714-E717 VanDerWaalsContact O-N 3.14Å; S714-E717 VanDerWaalsContact OG-CG 3.3Å; S714-E717 WeakPolarHBondContact OG-CG 2.99Å; S714-E717 PolarHBondContact OG-N 3.49Å; S714-E717 PolarHBondContact OG-OE2 3.43Å; S714-L718 VanDerWaalsContact O-CB 3.26Å; S714-L718 WeakPolarHBondContact O-CB 3.27Å; S714-L718 PolarHBondContact O-N 3.39Å
715	E	62.5	Low	52.9	Low	53 Å²	53	75.8 Å²	75.8	25%	0.248	47%	0.466	C	S	.	.	H	α-helix	trans	-59.4	-26.6	179.9	-168	173.8	-162.3	0	0	112.2	R389 H392 K411 L719	R389-E715 IonicContact CZ-OE2 3.63Å; R389-E715 VanDerWaalsContact NH1-CD 3.26Å; R389-E715 IonicContact NH1-OE1 2.99Å; R389-E715 PolarHBondContact NH1-OE1 3.25Å; R389-E715 IonicContact NH1-OE2 3.5Å; R389-E715 PolarHBondContact NH1-OE2 2.92Å; H392-E715 VanDerWaalsContact CE1-CD 3.48Å; H392-E715 IonicContact CE1-OE1 2.62Å; H392-E715 PolarHBondContact CE1-OE1 2.79Å; H392-E715 VanDerWaalsContact CE1-OE1 3.3Å; H392-E715 IonicContact ND1-OE1 2.75Å; H392-E715 PolarHBondContact ND1-OE1 3.16Å; K411-E715 IonicContact NZ-OE1 3.6Å; K411-E715 PolarHBondContact NZ-OE1 2.65Å; K411-E715 IonicContact NZ-OE2 2.73Å; K411-E715 PolarHBondContact NZ-OE2 3.43Å; E715-L719 VanDerWaalsContact O-CB 3.32Å; E715-L719 WeakPolarHBondContact O-CB 3.46Å; E715-L719 PolarHBondContact O-N 3.04Å; E715-L719 VanDerWaalsContact O-N 3.14Å
716	D	61	Low	53.6	Low	38 Å²	38	68.3 Å²	68.3	20%	0.203	43%	0.429	C	S	.	.	H	α-helix	trans	-77	-40.9	177	-75.9	57.6	0	0	0	113	K379 R388 S714 A720	K379-D716 WeakPolarHBondContact CA-OD2 3.14Å; K379-D716 HydrophobicContact CG-CB 4.36Å; R388-D716 IonicContact CZ-OD1 2.65Å; R388-D716 IonicContact CZ-OD2 3.13Å; R388-D716 IonicContact NH1-OD1 2.66Å; R388-D716 IonicContact NH1-OD2 3.97Å; R388-D716 PolarHBondContact NH1-OD2 3.35Å; R388-D716 IonicContact NH2-OD1 3.47Å; R388-D716 PolarHBondContact NH2-OD1 2.82Å; R388-D716 IonicContact NH2-OD2 3.22Å; R388-D716 PolarHBondContact NH2-OD2 3.45Å; R388-D716 VanDerWaalsContact NH2-OD2 3.09Å; S714-D716 PolarHBondContact O-N 2.97Å; S714-D716 VanDerWaalsContact O-N 3.09Å; D716-A720 WeakPolarHBondContact O-CB 3.49Å; D716-A720 PolarHBondContact O-N 3.11Å
717	E	72.5	Confident	54.6	Low	93 Å²	93	69.7 Å²	69.7	44%	0.435	42%	0.416	S	S	.	.	H	α-helix	trans	-73.5	-40.5	176	-69.4	158.5	146	0	0	111.5	M713 S714 L719 A720 A721	M713-E717 HydrophobicContact CE-CB 3.85Å; S714-E717 VanDerWaalsContact CB-OE2 3.24Å; S714-E717 WeakPolarHBondContact CB-OE2 3.5Å; S714-E717 PolarHBondContact N-OE2 3.21Å; S714-E717 PolarHBondContact O-N 3.36Å; S714-E717 VanDerWaalsContact O-N 3.14Å; S714-E717 VanDerWaalsContact OG-CG 3.3Å; S714-E717 WeakPolarHBondContact OG-CG 2.99Å; S714-E717 PolarHBondContact OG-N 3.49Å; S714-E717 PolarHBondContact OG-OE2 3.43Å; E717-L719 VanDerWaalsContact C-N 3.31Å; E717-L719 PolarHBondContact O-N 2.98Å; E717-A720 PolarHBondContact O-N 2.84Å; E717-A720 VanDerWaalsContact O-N 3.17Å; E717-A721 WeakPolarHBondContact O-CB 3.37Å; E717-A721 PolarHBondContact O-N 3.2Å
718	L	71.2	Confident	54.6	Low	32 Å²	32	67.8 Å²	67.8	17%	0.168	40%	0.396	C	S	.	.	H	α-helix	trans	-66.6	-33.5	177.5	-175	57.9	0	0	0	111.6	F710 M713 S714 V722	F710-L718 HydrophobicContact CB-CD1 4.34Å; F710-L718 HydrophobicContact CD1-CD1 3.62Å; F710-L718 HydrophobicContact CE1-CD1 4.28Å; F710-L718 HydrophobicContact CG-CD1 4.27Å; M713-L718 HydrophobicContact CB-CB 4.18Å; S714-L718 VanDerWaalsContact O-CB 3.26Å; S714-L718 WeakPolarHBondContact O-CB 3.27Å; S714-L718 PolarHBondContact O-N 3.39Å; L718-V722 VanDerWaalsContact O-CG2 3.24Å; L718-V722 WeakPolarHBondContact O-CG2 3.21Å; L718-V722 PolarHBondContact O-N 3.04Å
719	L	66.6	Low	55.2	Low	8 Å²	8	69.9 Å²	69.9	4%	0.042	39%	0.389	C	S	.	.	H	α-helix	trans	-67.5	-47.7	168.1	-178.7	71.8	0	0	0	111.3	W378 H392 E715 E717 A721 V722 L723	W378-L719 HydrophobicContact CB-CD2 3.47Å; W378-L719 VanDerWaalsContact CB-CD2 3.47Å; W378-L719 HydrophobicContact CD2-CD2 3.97Å; W378-L719 HydrophobicContact CG-CD2 3.36Å; H392-L719 VanDerWaalsContact CD2-CD1 3.48Å; H392-L719 WeakPolarHBondContact CD2-CD1 3.45Å; H392-L719 WeakPolarHBondContact NE2-CD2 3.33Å; E715-L719 VanDerWaalsContact O-CB 3.32Å; E715-L719 WeakPolarHBondContact O-CB 3.46Å; E715-L719 PolarHBondContact O-N 3.04Å; E715-L719 VanDerWaalsContact O-N 3.14Å; E717-L719 VanDerWaalsContact C-N 3.31Å; E717-L719 PolarHBondContact O-N 2.98Å; L719-A721 VanDerWaalsContact C-N 3.33Å; L719-A721 PolarHBondContact O-N 3.43Å; L719-V722 PolarHBondContact O-N 3.27Å; L719-L723 HydrophobicContact CD1-CD1 4.05Å; L719-L723 HydrophobicContact CD1-CG 4.2Å; L719-L723 HydrophobicContact CD2-CD1 4.12Å; L719-L723 HydrophobicContact CG-CD1 3.71Å; L719-L723 HydrophobicContact CG-CG 4.24Å; L719-L723 WeakPolarHBondContact O-CB 3.19Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.2Å; L719-L723 PolarHBondContact O-N 3.04Å
720	A	70.9	Confident	55.2	Low	46 Å²	46	70.4 Å²	70.4	38%	0.38	39%	0.388	S	S	.	.	H	α-helix	trans	-58.3	-45.5	-179.2	0	0	0	0	0	111.5	D716 E717 L723 E724	D716-A720 WeakPolarHBondContact O-CB 3.49Å; D716-A720 PolarHBondContact O-N 3.11Å; E717-A720 PolarHBondContact O-N 2.84Å; E717-A720 VanDerWaalsContact O-N 3.17Å; A720-L723 PolarHBondContact O-N 2.95Å; A720-E724 WeakPolarHBondContact O-CG 3.42Å; A720-E724 PolarHBondContact O-N 3.42Å
721	A	67.8	Low	54.8	Low	23 Å²	23	68.7 Å²	68.7	19%	0.19	39%	0.392	C	S	.	.	H	α-helix	trans	-60	-48.8	176.4	0	0	0	0	0	112.3	M713 E717 L719 L723 E724 I725	M713-A721 HydrophobicContact CE-CB 4.07Å; E717-A721 WeakPolarHBondContact O-CB 3.37Å; E717-A721 PolarHBondContact O-N 3.2Å; L719-A721 VanDerWaalsContact C-N 3.33Å; L719-A721 PolarHBondContact O-N 3.43Å; A721-L723 VanDerWaalsContact C-N 3.32Å; A721-L723 PolarHBondContact O-N 3.02Å; A721-E724 PolarHBondContact O-N 2.74Å; A721-E724 VanDerWaalsContact O-N 3.12Å; A721-I725 VanDerWaalsContact O-CG1 3.31Å; A721-I725 WeakPolarHBondContact O-CG1 3.21Å; A721-I725 PolarHBondContact O-N 2.91Å
722	V	64.9	Low	54.5	Low	26 Å²	26	67.8 Å²	67.8	16%	0.158	39%	0.386	C	S	.	.	H	α-helix	trans	-63.2	-38	177.9	172.7	0	0	0	0	111.8	A395 K396 L718 L719 E724 I725 S726	A395-V722 HydrophobicContact CB-CG1 3.74Å; A395-V722 WeakPolarHBondContact O-CG1 3.42Å; K396-V722 HydrophobicContact CG-CG1 4.37Å; L718-V722 VanDerWaalsContact O-CG2 3.24Å; L718-V722 WeakPolarHBondContact O-CG2 3.21Å; L718-V722 PolarHBondContact O-N 3.04Å; L719-V722 PolarHBondContact O-N 3.27Å; V722-E724 VanDerWaalsContact C-N 3.33Å; V722-I725 PolarHBondContact O-N 3.38Å; V722-S726 WeakPolarHBondContact O-CB 3.39Å; V722-S726 PolarHBondContact O-N 3.25Å
723	L	68.9	Low	54.1	Low	13 Å²	13	69.5 Å²	69.5	7%	0.068	39%	0.386	C	S	.	.	H	α-helix	trans	-70.5	-25.9	174.6	-70.6	172.8	0	0	0	113.5	L372 W378 L719 A720 A721 K727	L372-L723 HydrophobicContact CB-CD2 4.09Å; L372-L723 HydrophobicContact CD2-CD2 3.74Å; L372-L723 HydrophobicContact CG-CD2 4.44Å; W378-L723 HydrophobicContact CG-CD1 4.49Å; L719-L723 HydrophobicContact CD1-CD1 4.05Å; L719-L723 HydrophobicContact CD1-CG 4.2Å; L719-L723 HydrophobicContact CD2-CD1 4.12Å; L719-L723 HydrophobicContact CG-CD1 3.71Å; L719-L723 HydrophobicContact CG-CG 4.24Å; L719-L723 WeakPolarHBondContact O-CB 3.19Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.2Å; L719-L723 PolarHBondContact O-N 3.04Å; A720-L723 PolarHBondContact O-N 2.95Å; A721-L723 VanDerWaalsContact C-N 3.32Å; A721-L723 PolarHBondContact O-N 3.02Å; L723-K727 WeakPolarHBondContact O-CD 3.48Å; L723-K727 VanDerWaalsContact O-CG 3.27Å; L723-K727 WeakPolarHBondContact O-CG 3.31Å; L723-K727 PolarHBondContact O-N 3.04Å
724	E	64.3	Low	53	Low	88 Å²	88	73.6 Å²	73.6	41%	0.411	41%	0.408	S	S	.	.	H	α-helix	trans	-77.7	-37.7	169	-68.5	-151.4	142.5	0	0	112.6	A720 A721 V722 K727 R728	A720-E724 WeakPolarHBondContact O-CG 3.42Å; A720-E724 PolarHBondContact O-N 3.42Å; A721-E724 PolarHBondContact O-N 2.74Å; A721-E724 VanDerWaalsContact O-N 3.12Å; V722-E724 VanDerWaalsContact C-N 3.33Å; E724-K727 WeakPolarHBondContact O-CB 3.44Å; E724-K727 PolarHBondContact O-N 3.47Å; E724-K727 VanDerWaalsContact O-N 3.1Å; E724-R728 VanDerWaalsContact CB-NH1 3.3Å; E724-R728 WeakPolarHBondContact O-CG 3.35Å; E724-R728 PolarHBondContact O-N 3.13Å; E724-R728 IonicContact OE1-NH2 3.18Å; E724-R728 IonicContact OE2-CZ 3.67Å; E724-R728 IonicContact OE2-NH1 2.82Å; E724-R728 PolarHBondContact OE2-NH1 3.43Å; E724-R728 IonicContact OE2-NH2 3.93Å; E724-R728 PolarHBondContact OE2-NH2 3.24Å
725	I	61.4	Low	51.2	Low	73 Å²	73	76.8 Å²	76.8	37%	0.374	43%	0.431	S	S	.	.	H	α-helix	trans	-58.6	-49.9	174.1	-68.9	162.2	0	0	0	109.4	A721 V722 K727 R728 E729	A721-I725 VanDerWaalsContact O-CG1 3.31Å; A721-I725 WeakPolarHBondContact O-CG1 3.21Å; A721-I725 PolarHBondContact O-N 2.91Å; V722-I725 PolarHBondContact O-N 3.38Å; I725-K727 PolarHBondContact O-N 3Å; I725-K727 VanDerWaalsContact O-N 3.1Å; I725-R728 PolarHBondContact O-N 3.07Å; I725-E729 HydrophobicContact CG2-CG 4.42Å; I725-E729 WeakPolarHBondContact O-CG 3.35Å; I725-E729 PolarHBondContact O-N 3.21Å
726	S	49.6	Very low	49.5	Very low	31 Å²	31	80.9 Å²	80.9	22%	0.217	45%	0.449	C	S	.	.	H	α-helix	trans	-63.8	-15.8	176.6	-169.4	0	0	0	0	114.4	V722	V722-S726 WeakPolarHBondContact O-CB 3.39Å; V722-S726 PolarHBondContact O-N 3.25Å
727	K	44.9	Very low	47.9	Very low	96 Å²	96	86.7 Å²	86.7	42%	0.417	48%	0.481	S	S	.	.	H	α-helix	trans	-85.2	-43.2	167.1	-71.6	167.3	-172.6	172.6	0	112	L723 E724 I725 E729 A730 S731	L723-K727 WeakPolarHBondContact O-CD 3.48Å; L723-K727 VanDerWaalsContact O-CG 3.27Å; L723-K727 WeakPolarHBondContact O-CG 3.31Å; L723-K727 PolarHBondContact O-N 3.04Å; E724-K727 WeakPolarHBondContact O-CB 3.44Å; E724-K727 PolarHBondContact O-N 3.47Å; E724-K727 VanDerWaalsContact O-N 3.1Å; I725-K727 PolarHBondContact O-N 3Å; I725-K727 VanDerWaalsContact O-N 3.1Å; K727-E729 VanDerWaalsContact C-N 3.33Å; K727-E729 PolarHBondContact O-N 3.11Å; K727-A730 WeakPolarHBondContact O-CB 3.3Å; K727-A730 PolarHBondContact O-N 3Å; K727-S731 PolarHBondContact O-OG 2.84Å
728	R	40.2	Very low	45.9	Very low	134 Å²	134	89.5 Å²	89.5	51%	0.506	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-35.9	180	-72.1	178.6	-180	106.5	13.9	112.2	E724 I725 A730 S731 L732	E724-R728 VanDerWaalsContact CB-NH1 3.3Å; E724-R728 WeakPolarHBondContact O-CG 3.35Å; E724-R728 PolarHBondContact O-N 3.13Å; E724-R728 IonicContact OE1-NH2 3.18Å; E724-R728 IonicContact OE2-CZ 3.67Å; E724-R728 IonicContact OE2-NH1 2.82Å; E724-R728 PolarHBondContact OE2-NH1 3.43Å; E724-R728 IonicContact OE2-NH2 3.93Å; E724-R728 PolarHBondContact OE2-NH2 3.24Å; I725-R728 PolarHBondContact O-N 3.07Å; R728-A730 PolarHBondContact O-N 3.22Å; R728-A730 VanDerWaalsContact O-N 3.16Å; R728-S731 PolarHBondContact O-N 3.43Å; R728-L732 WeakPolarHBondContact O-CG 3.44Å; R728-L732 PolarHBondContact O-N 3.33Å
729	E	39.8	Very low	43.8	Very low	140 Å²	140	94.8 Å²	94.8	65%	0.654	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.8	171.5	-72.5	171.9	169.9	0	0	113.5	I725 K727	I725-E729 HydrophobicContact CG2-CG 4.42Å; I725-E729 WeakPolarHBondContact O-CG 3.35Å; I725-E729 PolarHBondContact O-N 3.21Å; K727-E729 VanDerWaalsContact C-N 3.33Å; K727-E729 PolarHBondContact O-N 3.11Å
730	A	34.2	Very low	42	Very low	75 Å²	75	103.1 Å²	103.1	62%	0.62	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	12.7	174.8	0	0	0	0	0	113.4	K727 R728	K727-A730 WeakPolarHBondContact O-CB 3.3Å; K727-A730 PolarHBondContact O-N 3Å; R728-A730 PolarHBondContact O-N 3.22Å; R728-A730 VanDerWaalsContact O-N 3.16Å
731	S	30.8	Very low	40.9	Very low	95 Å²	95	106.3 Å²	106.3	66%	0.664	58%	0.575	S	S	*	*	S	Bend	trans	-141.1	8.2	-172.4	-57.7	0	0	0	0	114.8	K727 R728	K727-S731 PolarHBondContact O-OG 2.84Å; R728-S731 PolarHBondContact O-N 3.43Å
732	L	27.7	Very low	38.9	Very low	152 Å²	152	111.5 Å²	111.5	80%	0.796	60%	0.604	S	S	*	*			trans	-105.6	90.3	-177.5	-75.1	170.8	0	0	0	112.3	R728	R728-L732 WeakPolarHBondContact O-CG 3.44Å; R728-L732 PolarHBondContact O-N 3.33Å
733	S	25.3	Very low	37.1	Very low	115 Å²	115	115.6 Å²	115.6	80%	0.804	63%	0.634	S	S	*	*			trans	-105.9	127.1	153.5	45.6	0	0	0	0	109.7
734	L	26.7	Very low	35.1	Very low	161 Å²	161	120.1 Å²	120.1	84%	0.843	67%	0.667	S	S	*	*			trans	10	123.4	170.3	-81.1	158.2	0	0	0	120.2	H736	L734-H736 HydrophobicContact CD2-CB 4.27Å
735	S	24	Very low	34.2	Very low	121 Å²	121	121.9 Å²	121.9	85%	0.846	69%	0.686	S	S	*	*			trans	-132.5	122.8	133.7	59.2	0	0	0	0	108.7
736	H	27.1	Very low	32.5	Very low	138 Å²	138	125.2 Å²	125.2	64%	0.639	71%	0.705	S	S	*	*			trans	-136.5	121.9	176.2	-173.2	-55.2	0	0	0	106.8	L734 E738	L734-H736 HydrophobicContact CD2-CB 4.27Å; H736-E738 IonicContact CE1-OE1 2.68Å
737	D	26.3	Very low	31.7	Very low	161 Å²	161	130.4 Å²	130.4	86%	0.861	74%	0.735	S	S	*	*			trans	-111.8	139.1	173.3	-81.9	-54.2	0	0	0	109.3
738	E	30.5	Very low	30.8	Very low	151 Å²	151	128.5 Å²	128.5	71%	0.706	74%	0.743	S	S	*	*			trans	-113.4	140	178.5	-80.4	-94.4	118.1	0	0	108.8	H736	H736-E738 IonicContact CE1-OE1 2.68Å
739	D	28.5	Very low	30.2	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	76%	0.764	S	S	*	*			trans	-168.5	102	132.1	-117.2	-29.2	0	0	0	114.7
740	K	28.6	Very low	29.6	Very low	183 Å²	183	128.6 Å²	128.6	80%	0.796	76%	0.762	S	S	*	*				66.2	164.8	127.6	-80.8	-168.3	170.3	168.2	0	123.2
741	P	46.9	Very low	29.3	Very low	113 Å²	113	133 Å²	133	73%	0.734	77%	0.769	S	S	*	*			trans	-128.9	171.6	-143.3	44.9	-32.1	0	0	0	116.8
742	T	26.9	Very low	29.2	Very low	132 Å²	132	135.1 Å²	135.1	81%	0.81	77%	0.773	S	S	*	*			trans	-147.5	122.1	166	42.4	0	0	0	0	114
743	S	26.5	Very low	29.2	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	77%	0.773	S	S	*	*			trans	37.3	129.6	141.8	60.5	0	0	0	0	123.7
744	S	27.6	Very low	29.4	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	77%	0.769	S	S	*	*			trans	-64.6	170.5	153.5	-35.4	0	0	0	0	112.9
745	P	45.4	Very low	29.2	Very low	124 Å²	124	137 Å²	137	81%	0.805	76%	0.764	S	S	*	*				-116.5	158.2	73.6	2.2	19.9	0	0	0	112.4
746	D	25.1	Very low	29.3	Very low	144 Å²	144	138.6 Å²	138.6	77%	0.77	76%	0.758	S	S	*	*			cis	90.9	153.1	40.9	-161.4	22.8	0	0	0	113.9
747	T	33.2	Very low	29.3	Very low	139 Å²	139	139.6 Å²	139.6	85%	0.853	77%	0.767	S	S	*	*			trans	73	129.5	-157.6	70.8	0	0	0	0	114.9
748	G	25.3	Very low	29.9	Very low	57 Å²	57	137.2 Å²	137.2	59%	0.588	76%	0.76	S	S	*	*			cis	161.1	134.6	-14.3	0	0	0	0	0	113.6
749	F	28.8	Very low	29.7	Very low	217 Å²	217	137.9 Å²	137.9	95%	0.952	76%	0.764	S	S	*	*			trans	65.2	141.1	177.6	-49.6	-85.9	0	0	0	116.1
750	G	27.2	Very low	29.5	Very low	58 Å²	58	138.5 Å²	138.5	60%	0.598	77%	0.767	S	S	*	*			cis	172.2	158.1	-7	0	0	0	0	0	111.6
751	E	27.4	Very low	29.4	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	76%	0.763	S	S	*	*			trans	24.9	137.3	147.3	-67.8	119.5	-106.5	0	0	120.6
752	D	28.8	Very low	28.4	Very low	141 Å²	141	139 Å²	139	75%	0.754	77%	0.766	S	S	*	*			cis	-152	157.9	5.7	-77.6	-35.7	0	0	0	108.2
753	E	28	Very low	28.3	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	77%	0.769	S	S	*	*				82.3	134.2	57.4	-125.4	-167.8	-143.7	0	0	117.2
754	I	28.2	Very low	28.2	Very low	140 Å²	140	139.7 Å²	139.7	72%	0.718	77%	0.771	S	S	*	*			trans	71.9	92.6	161	-47.9	-176.2	0	0	0	121.7
755	Q	24	Very low	28.1	Very low	159 Å²	159	142.7 Å²	142.7	74%	0.743	77%	0.773	S	S	*	*				50.3	140.3	107.2	-164.9	163.7	-24.3	0	0	124.7
756	E	25.4	Very low	27.2	Very low	155 Å²	155	142.5 Å²	142.5	72%	0.724	77%	0.769	S	S	*	*			trans	87.4	117	153.7	-92.9	163.3	-134.3	0	0	124.7
757	L	27	Very low	27.3	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	77%	0.773	S	S	*	*				20.3	158.4	127.9	-72	170.4	0	0	0	121.9
758	P	38.8	Very low	27	Very low	110 Å²	110	146.9 Å²	146.9	71%	0.714	77%	0.772	S	S	*	*			cis	-151	176.6	37	43.8	-22.2	0	0	0	120.7
759	E	25.9	Very low	27.4	Very low	165 Å²	165	150.4 Å²	150.4	77%	0.771	78%	0.784	S	S	*	*			trans	24.4	134.2	145.5	-61.9	177.5	162.6	0	0	123.7
760	N	24.2	Very low	27.3	Very low	157 Å²	157	150.1 Å²	150.1	84%	0.84	78%	0.783	S	S	*	*				-164.1	173.8	109.3	-114.4	-85.2	0	0	0	115.2
761	L	26.4	Very low	27.3	Very low	136 Å²	136	152.3 Å²	152.3	71%	0.712	80%	0.795	S	S	*	*			trans	-98.2	155	-165	-99	71.6	0	0	0	116.8
762	E	25.2	Very low	27.2	Very low	170 Å²	170	148.9 Å²	148.9	79%	0.794	80%	0.796	S	S	*	*			trans	41.4	127.4	143.3	-61.6	-175.2	162.4	0	0	122.7
763	S	24.9	Very low	27.1	Very low	126 Å²	126	149.8 Å²	149.8	88%	0.881	80%	0.799	S	S	*	*			trans	-157.6	158.1	137.5	-80.5	0	0	0	0	110.2
764	V	25.2	Very low	26.9	Very low	134 Å²	134	149.9 Å²	149.9	81%	0.812	80%	0.8	S	S	*	*			trans	-109.7	170.3	-169.8	171.6	0	0	0	0	111
765	E	25.4	Very low	26.9	Very low	171 Å²	171	148.7 Å²	148.7	80%	0.799	80%	0.804	S	S	*	*			trans	110.6	110.5	144.8	-132.8	152.9	-104.3	0	0	119.6
766	V	27.4	Very low	26.9	Very low	120 Å²	120	144.5 Å²	144.5	73%	0.727	80%	0.804	S	S	*	*				89.4	122.5	129.9	154.3	0	0	0	0	124.3
767	E	25.9	Very low	26.9	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	81%	0.813	S	S	*	*			trans	70	152.4	146.9	-75.5	-172.8	174.1	0	0	126.2
768	K	28.3	Very low	26.9	Very low	192 Å²	192	142.2 Å²	142.2	84%	0.835	81%	0.809	S	S	*	*			trans	-108.4	145.3	175.5	-65.4	174	175.6	174.6	0	110.9
769	P	33.8	Very low	26.4	Very low	131 Å²	131	141.4 Å²	141.4	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.7	171.3	159.2	-15.6	31.9	0	0	0	113.6
770	K	25.2	Very low	26.5	Very low	212 Å²	212	142.4 Å²	142.4	92%	0.922	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-103.9	165.6	-176.9	-72.6	178.9	178.2	174.1	0	114
771	A	27.3	Very low	26.8	Very low	103 Å²	103	140 Å²	140	85%	0.851	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-71.6	168.7	-175.2	0	0	0	0	0	116.5
772	A	25.6	Very low	26.9	Very low	96 Å²	96	142 Å²	142	79%	0.793	81%	0.805	S	S	*	*			trans	-162.7	129.8	142.6	0	0	0	0	0	114.9
773	L	26.1	Very low	27.2	Very low	159 Å²	159	140.8 Å²	140.8	83%	0.832	80%	0.802	S	S	*	*			trans	70.2	155.1	139.4	-138.3	66.8	0	0	0	124.1
774	E	25.6	Very low	27.5	Very low	171 Å²	171	140.1 Å²	140.1	80%	0.799	79%	0.793	S	S	*	*			trans	70.7	155.3	164.7	-56	-163.7	159.5	0	0	120.3
775	S	26.7	Very low	27.8	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	79%	0.788	S	S	*	*			cis	-166.1	166.8	-42.2	68	0	0	0	0	110.2
776	G	24.4	Very low	28.2	Very low	71 Å²	71	138.8 Å²	138.8	73%	0.732	78%	0.779	S	S	*	*			trans	98.8	80.6	149.4	0	0	0	0	0	122.2
777	L	25.1	Very low	28.5	Very low	174 Å²	174	143.2 Å²	143.2	91%	0.911	79%	0.789	S	S	*	*				54.7	138.8	118.9	-162.7	66.1	0	0	0	123.6
778	A	27.7	Very low	28.9	Very low	91 Å²	91	140.8 Å²	140.8	75%	0.752	78%	0.781	S	S	*	*			trans	76.1	148.1	155.3	0	0	0	0	0	119.6
779	S	28.3	Very low	29.3	Very low	93 Å²	93	139.6 Å²	139.6	65%	0.65	78%	0.779	S	S	*	*			cis	-169.7	148	-4.9	159.4	0	0	0	0	113.3
780	F	27.2	Very low	29.4	Very low	187 Å²	187	139.4 Å²	139.4	82%	0.82	77%	0.771	S	S	*	*			trans	69.2	144.8	155.9	-89.7	-134	0	0	0	119.5
781	T	31.2	Very low	29.9	Very low	106 Å²	106	136.4 Å²	136.4	65%	0.65	76%	0.758	S	S	*	*			cis	-164.9	159.4	-14.7	10.5	0	0	0	0	112.7
782	E	27.5	Very low	30.2	Very low	179 Å²	179	138.1 Å²	138.1	84%	0.836	75%	0.748	S	S	*	*				129.3	155.6	127.8	-151.9	155	-144.9	0	0	117.6
783	I	32.5	Very low	30.7	Very low	144 Å²	144	141.8 Å²	141.8	74%	0.738	76%	0.755	S	S	*	*			trans	79.1	69.5	173.3	-42.1	-175.3	0	0	0	117.5
784	T	31.6	Very low	31.1	Very low	112 Å²	112	143.5 Å²	143.5	69%	0.687	76%	0.755	S	S	*	*				20.1	142.9	115.5	59.7	0	0	0	0	119.9
785	K	30.9	Very low	31.7	Very low	164 Å²	164	141.8 Å²	141.8	71%	0.713	76%	0.757	S	S	*	*			cis	-168.5	154.2	10.4	-119.8	-177.5	169.1	-117.9	0	114
786	D	33.7	Very low	32.4	Very low	112 Å²	112	142 Å²	142	60%	0.599	76%	0.755	S	S	*	*			trans	29.3	128.4	144.2	-42.9	-18.5	0	0	0	121.8
787	F	33.2	Very low	33.3	Very low	214 Å²	214	148.3 Å²	148.3	94%	0.939	77%	0.766	S	S	*	*				-153.1	165.5	106.1	-119.7	-83.1	0	0	0	111.3
788	D	35.8	Very low	33.7	Very low	130 Å²	130	143.5 Å²	143.5	70%	0.695	76%	0.758	S	S	*	*			trans	-120.6	-177	-153.2	-169.2	15.8	0	0	0	114
789	E	37	Very low	34.7	Very low	168 Å²	168	144.8 Å²	144.8	79%	0.785	76%	0.761	S	S	*	*			trans	110.3	93.6	162.2	-58.1	-164.3	156.9	0	0	118
790	N	34.3	Very low	35.6	Very low	126 Å²	126	149.8 Å²	149.8	67%	0.674	77%	0.774	S	S	*	*				34	142.6	108.2	-75.1	-55.2	0	0	0	118.7
791	K	35.5	Very low	36.5	Very low	150 Å²	150	142.9 Å²	142.9	65%	0.652	76%	0.756	S	S	*	*			cis	-167.6	160	25.7	-134.9	163.6	-176.4	-109.3	0	113.1
792	E	34.7	Very low	37.1	Very low	139 Å²	139	146.4 Å²	146.4	65%	0.65	77%	0.765	S	S	*	*			trans	48.1	113.2	148.2	-80.5	158.1	-144.2	0	0	121
793	N	35.1	Very low	38	Very low	173 Å²	173	143.6 Å²	143.6	93%	0.925	76%	0.76	S	S	*	*				-148.7	150.7	112.7	-101.5	-51.4	0	0	0	110.6
794	K	35.8	Very low	38.9	Very low	195 Å²	195	141.9 Å²	141.9	85%	0.848	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-101.9	135.8	-177.8	-68.6	-179.1	178.5	179.4	0	111.3
795	T	37.1	Very low	39.5	Very low	135 Å²	135	145.5 Å²	145.5	83%	0.828	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-69	144.1	166.1	19.8	0	0	0	0	111.7
796	P	41.7	Very low	40.6	Very low	118 Å²	118	143.8 Å²	143.8	77%	0.766	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-77.9	157.6	150.8	34.7	-31.7	0	0	0	110.1
797	E	42.9	Very low	41.6	Very low	205 Å²	205	144.7 Å²	144.7	96%	0.958	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-73.9	140.8	-176.4	-61.9	167.1	131.3	0	0	112.1
798	G	33.3	Very low	42.7	Very low	72 Å²	72	138.8 Å²	138.8	74%	0.742	73%	0.728	S	S	*	*			trans	-172.3	81.2	-178.2	0	0	0	0	0	112.2	Q800	G798-Q800 VanDerWaalsContact C-N 3.35Å; G798-Q800 PolarHBondContact O-N 3.2Å
799	S	49	Very low	43.7	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	73%	0.726	S	S	*	*			trans	-79.8	66.9	-167.4	60.6	0	0	0	0	114.7
800	Q	47.3	Very low	45	Very low	197 Å²	197	136.1 Å²	136.1	92%	0.921	71%	0.707	S	S	*	*	S	Bend	trans	-167.5	106.4	162.1	-107	149.2	-4.4	0	0	110.2	G798	G798-Q800 VanDerWaalsContact C-N 3.35Å; G798-Q800 PolarHBondContact O-N 3.2Å
801	G	46.8	Very low	46.4	Very low	43 Å²	43	135.3 Å²	135.3	44%	0.443	70%	0.701	S	S	.	*			trans	166.8	-25.1	174.9	0	0	0	0	0	117.8	V803 D804	G801-V803 VanDerWaalsContact C-N 3.33Å; G801-V803 PolarHBondContact O-N 3.15Å; G801-D804 PolarHBondContact O-N 3.05Å
802	E	42.6	Very low	48.1	Very low	180 Å²	180	131.5 Å²	131.5	84%	0.841	69%	0.685	S	S	*	*	H	α-helix	trans	-71.4	-16.5	-170.9	-82.1	-176.4	131.8	0	0	116.3
803	V	47.8	Very low	50	Low	119 Å²	119	131.3 Å²	131.3	72%	0.721	68%	0.678	S	S	*	*	H	α-helix	trans	-79.3	-27.2	176.2	-174.6	0	0	0	0	111.7	G801	G801-V803 VanDerWaalsContact C-N 3.33Å; G801-V803 PolarHBondContact O-N 3.15Å
804	D	51.6	Low	51.8	Low	108 Å²	108	128.3 Å²	128.3	58%	0.578	66%	0.659	S	S	*	*	H	α-helix	trans	-71.4	-45.3	-172.5	-146.9	18	0	0	0	111.1	G801 L806 Q807 Q808	G801-D804 PolarHBondContact O-N 3.05Å; D804-L806 PolarHBondContact O-N 3.48Å; D804-Q807 PolarHBondContact O-N 2.94Å; D804-Q808 VanDerWaalsContact O-CB 3.25Å; D804-Q808 WeakPolarHBondContact O-CB 3.44Å; D804-Q808 PolarHBondContact O-N 3.46Å
805	W	44.6	Very low	53.7	Low	188 Å²	188	124.5 Å²	124.5	71%	0.712	64%	0.639	S	S	*	*	H	α-helix	trans	-61.2	-40.6	-174.3	-71	101.5	0	0	0	114.8	Y809	W805-Y809 VanDerWaalsContact O-CB 3.24Å; W805-Y809 WeakPolarHBondContact O-CB 3.3Å; W805-Y809 PolarHBondContact O-N 3.2Å
806	L	53.3	Low	55.6	Low	128 Å²	128	124.1 Å²	124.1	67%	0.67	63%	0.628	S	S	*	*	H	α-helix	trans	-70.2	-43.2	178.3	-88.3	164.3	0	0	0	111.5	D804 Y809 D810	D804-L806 PolarHBondContact O-N 3.48Å; L806-Y809 PolarHBondContact O-N 3.12Å; L806-D810 PolarHBondContact O-N 3.34Å
807	Q	54.7	Low	57.3	Low	132 Å²	132	123.7 Å²	123.7	62%	0.617	62%	0.616	S	S	*	*	H	α-helix	trans	-69.9	-35.8	179.5	-166.2	161.1	12.7	0	0	111.5	D804 M811	D804-Q807 PolarHBondContact O-N 2.94Å; Q807-M811 WeakPolarHBondContact O-CB 3.42Å; Q807-M811 WeakPolarHBondContact O-CG 3.38Å; Q807-M811 PolarHBondContact O-N 3.04Å
808	Q	55.3	Low	59	Low	90 Å²	90	119.4 Å²	119.4	42%	0.421	60%	0.596	S	S	.	*	H	α-helix	trans	-66.7	-41.8	171.9	-173.4	172.3	-9.9	0	0	111.8	D804 D810 M811 E812	D804-Q808 VanDerWaalsContact O-CB 3.25Å; D804-Q808 WeakPolarHBondContact O-CB 3.44Å; D804-Q808 PolarHBondContact O-N 3.46Å; Q808-D810 PolarHBondContact O-N 2.81Å; Q808-M811 CarbonylContact O-C 3.58Å; Q808-M811 PolarHBondContact O-N 2.92Å; Q808-E812 WeakPolarHBondContact O-CB 3.29Å; Q808-E812 PolarHBondContact O-N 3.12Å
809	Y	57.6	Low	61.4	Low	167 Å²	167	121.3 Å²	121.3	66%	0.655	59%	0.586	S	S	*	*	H	α-helix	trans	-64.6	-38.7	178.3	-164.2	-98.4	0	0	0	112.5	W805 L806 E812 R813	W805-Y809 VanDerWaalsContact O-CB 3.24Å; W805-Y809 WeakPolarHBondContact O-CB 3.3Å; W805-Y809 PolarHBondContact O-N 3.2Å; L806-Y809 PolarHBondContact O-N 3.12Å; Y809-E812 PolarHBondContact O-N 3.24Å; Y809-R813 VanDerWaalsContact O-CB 3.29Å; Y809-R813 WeakPolarHBondContact O-CB 3.43Å; Y809-R813 PolarHBondContact O-N 2.78Å
810	D	64.4	Low	62.8	Low	74 Å²	74	121.7 Å²	121.7	40%	0.396	58%	0.578	S	S	.	*	H	α-helix	trans	-68.5	-39.1	173.8	-80.9	-18.1	0	0	0	112.4	L806 Q808 E812 R813 E814	L806-D810 PolarHBondContact O-N 3.34Å; Q808-D810 PolarHBondContact O-N 2.81Å; D810-E812 VanDerWaalsContact C-N 3.32Å; D810-E812 PolarHBondContact O-N 3.45Å; D810-R813 PolarHBondContact O-N 3.24Å; D810-R813 IonicContact OD1-CZ 3.36Å; D810-R813 IonicContact OD1-NE 3.21Å; D810-R813 PolarHBondContact OD1-NE 3.46Å; D810-R813 IonicContact OD1-NH2 2.68Å; D810-R813 PolarHBondContact OD1-NH2 3.14Å; D810-R813 IonicContact OD2-NH2 3.88Å; D810-E814 WeakPolarHBondContact O-CB 3.07Å; D810-E814 PolarHBondContact O-N 3.31Å
811	M	63.5	Low	64.1	Low	109 Å²	109	117.9 Å²	117.9	54%	0.537	56%	0.56	S	S	.	*	H	α-helix	trans	-69.3	-25.3	172.8	-70.7	-67.1	-53.6	0	0	113.6	Q807 Q808 R815	Q807-M811 WeakPolarHBondContact O-CB 3.42Å; Q807-M811 WeakPolarHBondContact O-CG 3.38Å; Q807-M811 PolarHBondContact O-N 3.04Å; Q808-M811 CarbonylContact O-C 3.58Å; Q808-M811 PolarHBondContact O-N 2.92Å; M811-R815 WeakPolarHBondContact O-CB 3.47Å; M811-R815 PolarHBondContact O-N 2.65Å
812	E	72.1	Confident	65.8	Low	70 Å²	70	121.5 Å²	121.5	33%	0.327	57%	0.565	S	S	.	*	H	α-helix	trans	-73.2	-48.4	171.3	-144.1	88.3	-95.7	0	0	109.4	Q808 Y809 D810 R815 E816	Q808-E812 WeakPolarHBondContact O-CB 3.29Å; Q808-E812 PolarHBondContact O-N 3.12Å; Y809-E812 PolarHBondContact O-N 3.24Å; D810-E812 VanDerWaalsContact C-N 3.32Å; D810-E812 PolarHBondContact O-N 3.45Å; E812-R815 WeakPolarHBondContact O-CB 3.43Å; E812-R815 PolarHBondContact O-N 2.72Å; E812-R815 VanDerWaalsContact O-N 3.15Å; E812-R815 IonicContact OE1-CZ 2.89Å; E812-R815 IonicContact OE1-NH1 2.59Å; E812-R815 PolarHBondContact OE1-NH1 3.17Å; E812-R815 IonicContact OE1-NH2 3.86Å; E812-R815 PolarHBondContact OE1-NH2 3.05Å; E812-E816 PolarHBondContact O-N 2.9Å
813	R	72.9	Confident	67.7	Low	135 Å²	135	115.4 Å²	115.4	51%	0.509	55%	0.546	S	S	.	.	H	α-helix	trans	-62.4	-42	179.3	179.8	171.2	64.1	86.3	-5.4	113.3	Y809 D810 R815 E816 E817	Y809-R813 VanDerWaalsContact O-CB 3.29Å; Y809-R813 WeakPolarHBondContact O-CB 3.43Å; Y809-R813 PolarHBondContact O-N 2.78Å; D810-R813 PolarHBondContact O-N 3.24Å; D810-R813 IonicContact OD1-CZ 3.36Å; D810-R813 IonicContact OD1-NE 3.21Å; D810-R813 PolarHBondContact OD1-NE 3.46Å; D810-R813 IonicContact OD1-NH2 2.68Å; D810-R813 PolarHBondContact OD1-NH2 3.14Å; D810-R813 IonicContact OD2-NH2 3.88Å; R813-R815 VanDerWaalsContact C-N 3.3Å; R813-E816 PolarHBondContact O-N 2.89Å; R813-E817 PolarHBondContact O-N 2.98Å
814	E	74	Confident	68.9	Low	111 Å²	111	115.5 Å²	115.5	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-68.4	-30.7	175.4	-170.8	170.4	-145	0	0	111.7	D810 Q818	D810-E814 WeakPolarHBondContact O-CB 3.07Å; D810-E814 PolarHBondContact O-N 3.31Å; E814-Q818 WeakPolarHBondContact O-CG 3.35Å; E814-Q818 PolarHBondContact O-N 2.81Å
815	R	75.7	Confident	70.4	Confident	114 Å²	114	113.2 Å²	113.2	43%	0.43	54%	0.537	S	S	.	.	H	α-helix	trans	-71.2	-44.7	171.5	-163.3	-166.8	-45.3	130.8	22.4	111.9	M811 E812 R813 E817 Q818 E819	M811-R815 WeakPolarHBondContact O-CB 3.47Å; M811-R815 PolarHBondContact O-N 2.65Å; E812-R815 WeakPolarHBondContact O-CB 3.43Å; E812-R815 PolarHBondContact O-N 2.72Å; E812-R815 VanDerWaalsContact O-N 3.15Å; E812-R815 IonicContact OE1-CZ 2.89Å; E812-R815 IonicContact OE1-NH1 2.59Å; E812-R815 PolarHBondContact OE1-NH1 3.17Å; E812-R815 IonicContact OE1-NH2 3.86Å; E812-R815 PolarHBondContact OE1-NH2 3.05Å; R813-R815 VanDerWaalsContact C-N 3.3Å; R815-E817 VanDerWaalsContact C-N 3.25Å; R815-E817 PolarHBondContact O-N 3.41Å; R815-Q818 PolarHBondContact O-N 2.82Å; R815-Q818 VanDerWaalsContact O-N 3.15Å; R815-E819 WeakPolarHBondContact CD-OE1 3.3Å; R815-E819 HydrophobicContact CG-CG 4.48Å; R815-E819 WeakPolarHBondContact CG-OE1 3.42Å; R815-E819 WeakPolarHBondContact O-CB 3.32Å; R815-E819 WeakPolarHBondContact O-CG 3.29Å; R815-E819 PolarHBondContact O-N 2.99Å
816	E	77.6	Confident	72.1	Confident	128 Å²	128	109.5 Å²	109.5	60%	0.598	53%	0.528	S	S	*	.	H	α-helix	trans	-57.4	-39.8	174.4	-74.6	-172.4	159	0	0	111.3	E812 R813 E819 L820	E812-E816 PolarHBondContact O-N 2.9Å; R813-E816 PolarHBondContact O-N 2.89Å; E816-E819 PolarHBondContact O-N 2.98Å; E816-L820 WeakPolarHBondContact O-CB 3.42Å; E816-L820 PolarHBondContact O-N 2.88Å
817	E	75.8	Confident	73.7	Confident	109 Å²	109	107 Å²	107	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-42.4	175.1	-169	174	164.8	0	0	112.3	R813 R815 L820 Q821	R813-E817 PolarHBondContact O-N 2.98Å; R815-E817 VanDerWaalsContact C-N 3.25Å; R815-E817 PolarHBondContact O-N 3.41Å; E817-L820 WeakPolarHBondContact O-CB 3.15Å; E817-L820 PolarHBondContact O-N 3.28Å; E817-Q821 WeakPolarHBondContact O-CG 3.37Å; E817-Q821 PolarHBondContact O-N 3.3Å; E817-Q821 PolarHBondContact OE1-NE2 2.68Å
818	Q	79.4	Confident	75.1	Confident	115 Å²	115	105.9 Å²	105.9	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-40.6	174.5	-73.3	177.2	25.6	0	0	112.5	E814 R815 Q821 Q822	E814-Q818 WeakPolarHBondContact O-CG 3.35Å; E814-Q818 PolarHBondContact O-N 2.81Å; R815-Q818 PolarHBondContact O-N 2.82Å; R815-Q818 VanDerWaalsContact O-N 3.15Å; Q818-Q821 PolarHBondContact O-N 2.97Å; Q818-Q822 WeakPolarHBondContact O-CB 3.28Å; Q818-Q822 PolarHBondContact O-N 2.66Å
819	E	84.9	Confident	76.3	Confident	112 Å²	112	108.2 Å²	108.2	52%	0.523	53%	0.53	S	S	.	.	H	α-helix	trans	-64.6	-38.5	174.5	-73.5	-180	-154.8	0	0	111.3	R815 E816 Q822 A823	R815-E819 WeakPolarHBondContact CD-OE1 3.3Å; R815-E819 HydrophobicContact CG-CG 4.48Å; R815-E819 WeakPolarHBondContact CG-OE1 3.42Å; R815-E819 WeakPolarHBondContact O-CB 3.32Å; R815-E819 WeakPolarHBondContact O-CG 3.29Å; R815-E819 PolarHBondContact O-N 2.99Å; E816-E819 PolarHBondContact O-N 2.98Å; E819-Q822 PolarHBondContact O-N 2.79Å; E819-A823 VanDerWaalsContact O-CB 3.25Å; E819-A823 WeakPolarHBondContact O-CB 3.31Å; E819-A823 PolarHBondContact O-N 3.26Å
820	L	76.8	Confident	77.5	Confident	127 Å²	127	105.5 Å²	105.5	67%	0.665	52%	0.523	S	S	*	.	H	α-helix	trans	-64.6	-44.5	172.4	-106.8	154.1	0	0	0	112.6	E816 E817 Q822 A823 L824	E816-L820 WeakPolarHBondContact O-CB 3.42Å; E816-L820 PolarHBondContact O-N 2.88Å; E817-L820 WeakPolarHBondContact O-CB 3.15Å; E817-L820 PolarHBondContact O-N 3.28Å; L820-Q822 VanDerWaalsContact C-N 3.35Å; L820-A823 PolarHBondContact O-N 3.46Å; L820-L824 WeakPolarHBondContact O-CB 3.36Å; L820-L824 PolarHBondContact O-N 3.43Å
821	Q	74.8	Confident	78	Confident	116 Å²	116	107 Å²	107	54%	0.542	53%	0.528	S	S	.	.	H	α-helix	trans	-64.5	-39.6	175.8	-70.5	179.4	21	0	0	111.3	E817 Q818 L824 A825	E817-Q821 WeakPolarHBondContact O-CG 3.37Å; E817-Q821 PolarHBondContact O-N 3.3Å; E817-Q821 PolarHBondContact OE1-NE2 2.68Å; Q818-Q821 PolarHBondContact O-N 2.97Å; Q821-L824 PolarHBondContact O-N 2.99Å; Q821-A825 WeakPolarHBondContact O-CB 3.5Å; Q821-A825 PolarHBondContact O-N 2.95Å
822	Q	82.4	Confident	78.7	Confident	119 Å²	119	108 Å²	108	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-67.6	-42.1	175.9	-170.8	174.4	18.4	0	0	112.1	Q818 E819 L820 A825 Q826	Q818-Q822 WeakPolarHBondContact O-CB 3.28Å; Q818-Q822 PolarHBondContact O-N 2.66Å; E819-Q822 PolarHBondContact O-N 2.79Å; L820-Q822 VanDerWaalsContact C-N 3.35Å; Q822-A825 PolarHBondContact O-N 3.27Å; Q822-Q826 WeakPolarHBondContact O-CG 3.27Å; Q822-Q826 PolarHBondContact O-N 3.06Å
823	A	82.4	Confident	79.2	Confident	53 Å²	53	107.3 Å²	107.3	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-65.4	-37.8	174.9	0	0	0	0	0	112	E819 L820 Q826 S827	E819-A823 VanDerWaalsContact O-CB 3.25Å; E819-A823 WeakPolarHBondContact O-CB 3.31Å; E819-A823 PolarHBondContact O-N 3.26Å; L820-A823 PolarHBondContact O-N 3.46Å; A823-Q826 PolarHBondContact O-N 3.31Å; A823-S827 VanDerWaalsContact O-CB 3.29Å; A823-S827 WeakPolarHBondContact O-CB 3.35Å; A823-S827 PolarHBondContact O-N 3.35Å
824	L	73.6	Confident	79.3	Confident	120 Å²	120	108.1 Å²	108.1	63%	0.628	54%	0.541	S	S	*	.	H	α-helix	trans	-62.4	-46.9	173.3	-165.8	83.4	0	0	0	110.9	L820 Q821 S827 L828	L820-L824 WeakPolarHBondContact O-CB 3.36Å; L820-L824 PolarHBondContact O-N 3.43Å; Q821-L824 PolarHBondContact O-N 2.99Å; L824-S827 PolarHBondContact O-N 3.15Å; L824-L828 WeakPolarHBondContact O-CB 3.46Å; L824-L828 PolarHBondContact O-N 3.5Å
825	A	82.5	Confident	79.4	Confident	60 Å²	60	108 Å²	108	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-62.1	-42.8	177.7	0	0	0	0	0	112.4	Q821 Q822 L828 Q829	Q821-A825 WeakPolarHBondContact O-CB 3.5Å; Q821-A825 PolarHBondContact O-N 2.95Å; Q822-A825 PolarHBondContact O-N 3.27Å; A825-L828 PolarHBondContact O-N 3.18Å; A825-Q829 WeakPolarHBondContact O-CB 3.42Å; A825-Q829 PolarHBondContact O-N 3.27Å
826	Q	81.4	Confident	79.3	Confident	110 Å²	110	109 Å²	109	51%	0.514	55%	0.55	S	S	.	.	H	α-helix	trans	-63.9	-42.4	174.4	-73.7	178.1	5.5	0	0	112.2	Q822 A823 L828 Q829 E830	Q822-Q826 WeakPolarHBondContact O-CG 3.27Å; Q822-Q826 PolarHBondContact O-N 3.06Å; A823-Q826 PolarHBondContact O-N 3.31Å; Q826-L828 VanDerWaalsContact C-N 3.32Å; Q826-L828 PolarHBondContact O-N 3.14Å; Q826-Q829 PolarHBondContact O-N 2.86Å; Q826-E830 WeakPolarHBondContact O-CB 3.16Å; Q826-E830 PolarHBondContact O-N 2.87Å
827	S	86.4	Confident	79.7	Confident	75 Å²	75	109.1 Å²	109.1	52%	0.524	55%	0.548	S	S	.	.	H	α-helix	trans	-61.4	-39.8	175.9	-174.7	0	0	0	0	112.1	A823 L824 E830 Q831	A823-S827 VanDerWaalsContact O-CB 3.29Å; A823-S827 WeakPolarHBondContact O-CB 3.35Å; A823-S827 PolarHBondContact O-N 3.35Å; L824-S827 PolarHBondContact O-N 3.15Å; S827-E830 PolarHBondContact O-N 2.99Å; S827-Q831 WeakPolarHBondContact O-CB 3.35Å; S827-Q831 PolarHBondContact O-N 2.7Å
828	L	83.9	Confident	79.7	Confident	110 Å²	110	110.6 Å²	110.6	58%	0.576	56%	0.555	S	S	*	*	H	α-helix	trans	-71.2	-39.8	178.9	-145.6	149.9	0	0	0	111.4	L824 A825 Q826 Q831 E832	L824-L828 WeakPolarHBondContact O-CB 3.46Å; L824-L828 PolarHBondContact O-N 3.5Å; A825-L828 PolarHBondContact O-N 3.18Å; Q826-L828 VanDerWaalsContact C-N 3.32Å; Q826-L828 PolarHBondContact O-N 3.14Å; L828-Q831 PolarHBondContact O-N 2.88Å; L828-E832 PolarHBondContact O-N 3.44Å
829	Q	80.1	Confident	79.5	Confident	138 Å²	138	109.2 Å²	109.2	65%	0.645	55%	0.551	S	S	*	*	H	α-helix	trans	-67.2	-37.3	172.9	-170	177.2	15.6	0	0	112.5	A825 Q826 A833	A825-Q829 WeakPolarHBondContact O-CB 3.42Å; A825-Q829 PolarHBondContact O-N 3.27Å; Q826-Q829 PolarHBondContact O-N 2.86Å; Q829-A833 VanDerWaalsContact O-CB 3.27Å; Q829-A833 WeakPolarHBondContact O-CB 3.43Å; Q829-A833 PolarHBondContact O-N 3.45Å
830	E	82.7	Confident	79.1	Confident	110 Å²	110	107 Å²	107	51%	0.514	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-37.8	171.1	-90	-153.7	-143.2	0	0	112.1	Q826 S827 R834	Q826-E830 WeakPolarHBondContact O-CB 3.16Å; Q826-E830 PolarHBondContact O-N 2.87Å; S827-E830 PolarHBondContact O-N 2.99Å; E830-R834 WeakPolarHBondContact O-CB 3.45Å; E830-R834 WeakPolarHBondContact O-CD 3.39Å; E830-R834 WeakPolarHBondContact O-CG 3.16Å; E830-R834 PolarHBondContact O-N 2.98Å; E830-R834 IonicContact OE2-CZ 3.95Å; E830-R834 IonicContact OE2-NE 3.07Å; E830-R834 IonicContact OE2-NH2 2.97Å; E830-R834 PolarHBondContact OE2-NH2 2.75Å
831	Q	75.4	Confident	79.3	Confident	107 Å²	107	104.2 Å²	104.2	50%	0.5	53%	0.529	S	S	.	.	H	α-helix	trans	-64.9	-49.6	174.8	-178.3	175.3	-23	0	0	111	S827 L828 A833 R834 E835	S827-Q831 WeakPolarHBondContact O-CB 3.35Å; S827-Q831 PolarHBondContact O-N 2.7Å; L828-Q831 PolarHBondContact O-N 2.88Å; Q831-A833 VanDerWaalsContact C-N 3.29Å; Q831-A833 PolarHBondContact O-N 2.86Å; Q831-R834 PolarHBondContact O-N 3.44Å; Q831-R834 VanDerWaalsContact O-N 3.07Å; Q831-E835 HydrophobicContact CG-CG 4.39Å; Q831-E835 WeakPolarHBondContact CG-OE1 3.21Å; Q831-E835 PolarHBondContact NE2-OE1 2.6Å; Q831-E835 WeakPolarHBondContact O-CG 3.48Å; Q831-E835 PolarHBondContact O-N 3.1Å
832	E	78.6	Confident	79.4	Confident	129 Å²	129	103.9 Å²	103.9	60%	0.603	53%	0.53	S	S	*	.	H	α-helix	trans	-59.3	-39.9	177.5	-171.2	176.1	-158	0	0	111.7	L828 Q836	L828-E832 PolarHBondContact O-N 3.44Å; E832-Q836 VanDerWaalsContact O-CB 3.25Å; E832-Q836 WeakPolarHBondContact O-CB 3.25Å; E832-Q836 PolarHBondContact O-N 3.45Å
833	A	83.1	Confident	78.9	Confident	56 Å²	56	102.8 Å²	102.8	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-68.4	-31.5	175.2	0	0	0	0	0	113.7	Q829 Q831 K837	Q829-A833 VanDerWaalsContact O-CB 3.27Å; Q829-A833 WeakPolarHBondContact O-CB 3.43Å; Q829-A833 PolarHBondContact O-N 3.45Å; Q831-A833 VanDerWaalsContact C-N 3.29Å; Q831-A833 PolarHBondContact O-N 2.86Å; A833-K837 WeakPolarHBondContact O-CB 3.48Å; A833-K837 PolarHBondContact O-N 3.37Å; A833-K837 VanDerWaalsContact O-N 3.14Å
834	R	73.8	Confident	78.6	Confident	152 Å²	152	105.6 Å²	105.6	57%	0.574	52%	0.523	S	S	*	.	H	α-helix	trans	-72.9	-47	173.4	-71.8	164.9	-167.3	-160.9	8.5	111	E830 Q831 Q836 K837 E838	E830-R834 WeakPolarHBondContact O-CB 3.45Å; E830-R834 WeakPolarHBondContact O-CD 3.39Å; E830-R834 WeakPolarHBondContact O-CG 3.16Å; E830-R834 PolarHBondContact O-N 2.98Å; E830-R834 IonicContact OE2-CZ 3.95Å; E830-R834 IonicContact OE2-NE 3.07Å; E830-R834 IonicContact OE2-NH2 2.97Å; E830-R834 PolarHBondContact OE2-NH2 2.75Å; Q831-R834 PolarHBondContact O-N 3.44Å; Q831-R834 VanDerWaalsContact O-N 3.07Å; R834-Q836 PolarHBondContact O-N 2.91Å; R834-K837 WeakPolarHBondContact O-CB 3.45Å; R834-K837 PolarHBondContact O-N 2.96Å; R834-K837 VanDerWaalsContact O-N 3.15Å; R834-E838 WeakPolarHBondContact O-CG 3.45Å; R834-E838 PolarHBondContact O-N 3.06Å
835	E	76.6	Confident	78.4	Confident	107 Å²	107	102.2 Å²	102.2	50%	0.5	51%	0.512	S	S	.	.	H	α-helix	trans	-59.7	-46.9	176.4	-72	177.6	-166.3	0	0	110.9	Q831 K837 E838 D839	Q831-E835 HydrophobicContact CG-CG 4.39Å; Q831-E835 WeakPolarHBondContact CG-OE1 3.21Å; Q831-E835 PolarHBondContact NE2-OE1 2.6Å; Q831-E835 WeakPolarHBondContact O-CG 3.48Å; Q831-E835 PolarHBondContact O-N 3.1Å; E835-K837 VanDerWaalsContact C-N 3.3Å; E835-K837 PolarHBondContact O-N 3.36Å; E835-E838 PolarHBondContact O-N 2.98Å; E835-D839 VanDerWaalsContact O-CB 3.28Å; E835-D839 WeakPolarHBondContact O-CB 3.24Å; E835-D839 PolarHBondContact O-N 3.42Å
836	Q	74.4	Confident	77.8	Confident	136 Å²	136	102.8 Å²	102.8	64%	0.636	51%	0.51	S	S	*	.	H	α-helix	trans	-61	-36.6	175	-177.9	169.3	74.2	0	0	112.5	E832 R834 D840	E832-Q836 VanDerWaalsContact O-CB 3.25Å; E832-Q836 WeakPolarHBondContact O-CB 3.25Å; E832-Q836 PolarHBondContact O-N 3.45Å; R834-Q836 PolarHBondContact O-N 2.91Å; Q836-D840 WeakPolarHBondContact O-CB 3.48Å; Q836-D840 PolarHBondContact O-N 3.1Å
837	K	84.4	Confident	77.2	Confident	130 Å²	130	104 Å²	104	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-68.9	-45.1	175.4	-176.2	-170.3	169.9	-165.6	0	112	A833 R834 E835 D839 D840 D841	A833-K837 WeakPolarHBondContact O-CB 3.48Å; A833-K837 PolarHBondContact O-N 3.37Å; A833-K837 VanDerWaalsContact O-N 3.14Å; R834-K837 WeakPolarHBondContact O-CB 3.45Å; R834-K837 PolarHBondContact O-N 2.96Å; R834-K837 VanDerWaalsContact O-N 3.15Å; E835-K837 VanDerWaalsContact C-N 3.3Å; E835-K837 PolarHBondContact O-N 3.36Å; K837-D839 VanDerWaalsContact C-N 3.32Å; K837-D840 PolarHBondContact O-N 2.97Å; K837-D841 WeakPolarHBondContact CE-OD2 3.2Å; K837-D841 PolarHBondContact O-N 3.3Å
838	E	75.9	Confident	76.3	Confident	140 Å²	140	105.4 Å²	105.4	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-62.4	-41.2	177.3	-74	179.5	-165.8	0	0	111.1	R834 E835 D840 D841 L842	R834-E838 WeakPolarHBondContact O-CG 3.45Å; R834-E838 PolarHBondContact O-N 3.06Å; E835-E838 PolarHBondContact O-N 2.98Å; E838-D840 VanDerWaalsContact C-N 3.3Å; E838-D840 PolarHBondContact O-N 2.65Å; E838-D841 PolarHBondContact O-N 2.94Å; E838-L842 VanDerWaalsContact O-CB 3.27Å; E838-L842 WeakPolarHBondContact O-CB 3.45Å; E838-L842 PolarHBondContact O-N 3.48Å
839	D	75.8	Confident	75.6	Confident	86 Å²	86	103.5 Å²	103.5	46%	0.46	51%	0.512	S	S	.	.	H	α-helix	trans	-65.3	-33.1	175.6	-161.2	56.3	0	0	0	111.7	E835 K837 K843	E835-D839 VanDerWaalsContact O-CB 3.28Å; E835-D839 WeakPolarHBondContact O-CB 3.24Å; E835-D839 PolarHBondContact O-N 3.42Å; K837-D839 VanDerWaalsContact C-N 3.32Å; D839-K843 VanDerWaalsContact CG-NZ 3.32Å; D839-K843 VanDerWaalsContact O-CG 3.22Å; D839-K843 WeakPolarHBondContact O-CG 3.25Å; D839-K843 PolarHBondContact O-N 3.23Å; D839-K843 VanDerWaalsContact O-N 3.11Å; D839-K843 PolarHBondContact O-NZ 3.35Å; D839-K843 VanDerWaalsContact OD2-CE 3.3Å; D839-K843 WeakPolarHBondContact OD2-CE 3.09Å; D839-K843 IonicContact OD2-NZ 2.63Å; D839-K843 PolarHBondContact OD2-NZ 2.86Å
840	D	76.1	Confident	74.8	Confident	66 Å²	66	101.5 Å²	101.5	35%	0.353	51%	0.506	S	S	.	.	H	α-helix	trans	-78.8	-34.4	174.4	-96.1	19.3	0	0	0	113.7	Q836 K837 E838 L842 K843 R844	Q836-D840 WeakPolarHBondContact O-CB 3.48Å; Q836-D840 PolarHBondContact O-N 3.1Å; K837-D840 PolarHBondContact O-N 2.97Å; E838-D840 VanDerWaalsContact C-N 3.3Å; E838-D840 PolarHBondContact O-N 2.65Å; D840-L842 VanDerWaalsContact C-N 3.34Å; D840-K843 PolarHBondContact O-N 3.03Å; D840-K843 IonicContact OD1-NZ 2.64Å; D840-K843 PolarHBondContact OD1-NZ 2.87Å; D840-R844 WeakPolarHBondContact O-CG 3.32Å; D840-R844 PolarHBondContact O-N 2.65Å; D840-R844 PolarHBondContact O-NE 3.48Å; D840-R844 IonicContact OD2-NH1 2.9Å
841	D	82.1	Confident	73.4	Confident	68 Å²	68	102 Å²	102	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-68.5	-34.7	170.9	-78.8	-28.5	0	0	0	111	K837 E838 R844 A845	K837-D841 WeakPolarHBondContact CE-OD2 3.2Å; K837-D841 PolarHBondContact O-N 3.3Å; E838-D841 PolarHBondContact O-N 2.94Å; D841-R844 PolarHBondContact O-N 2.86Å; D841-R844 IonicContact OD1-CZ 3.92Å; D841-R844 VanDerWaalsContact OD1-CZ 3.25Å; D841-R844 IonicContact OD1-NE 2.77Å; D841-R844 PolarHBondContact OD1-NE 3.38Å; D841-R844 IonicContact OD1-NH2 3.58Å; D841-R844 PolarHBondContact OD1-NH2 3.24Å; D841-A845 WeakPolarHBondContact O-CB 3.36Å; D841-A845 PolarHBondContact O-N 3Å
842	L	76.8	Confident	72.6	Confident	109 Å²	109	103.6 Å²	103.6	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-66.7	-40.5	172.3	-175.2	64.1	0	0	0	112	E838 D840 A845 T846	E838-L842 VanDerWaalsContact O-CB 3.27Å; E838-L842 WeakPolarHBondContact O-CB 3.45Å; E838-L842 PolarHBondContact O-N 3.48Å; D840-L842 VanDerWaalsContact C-N 3.34Å; L842-A845 PolarHBondContact O-N 3.23Å; L842-T846 WeakPolarHBondContact O-CB 3.21Å; L842-T846 PolarHBondContact O-N 2.85Å; L842-T846 PolarHBondContact O-OG1 2.8Å
843	K	71.3	Confident	71.1	Confident	96 Å²	96	103.6 Å²	103.6	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-48.5	171.6	-73	171.8	-148.5	96.5	0	111.2	D839 D840 A845 T846 E847	D839-K843 VanDerWaalsContact CG-NZ 3.32Å; D839-K843 VanDerWaalsContact O-CG 3.22Å; D839-K843 WeakPolarHBondContact O-CG 3.25Å; D839-K843 PolarHBondContact O-N 3.23Å; D839-K843 VanDerWaalsContact O-N 3.11Å; D839-K843 PolarHBondContact O-NZ 3.35Å; D839-K843 VanDerWaalsContact OD2-CE 3.3Å; D839-K843 WeakPolarHBondContact OD2-CE 3.09Å; D839-K843 IonicContact OD2-NZ 2.63Å; D839-K843 PolarHBondContact OD2-NZ 2.86Å; D840-K843 PolarHBondContact O-N 3.03Å; D840-K843 IonicContact OD1-NZ 2.64Å; D840-K843 PolarHBondContact OD1-NZ 2.87Å; K843-A845 PolarHBondContact O-N 3.09Å; K843-T846 PolarHBondContact O-N 2.97Å; K843-E847 WeakPolarHBondContact O-CB 3.25Å; K843-E847 PolarHBondContact O-N 3.3Å
844	R	76.4	Confident	69.5	Low	112 Å²	112	105.7 Å²	105.7	42%	0.423	52%	0.517	S	S	.	.	H	α-helix	trans	-57.9	-46.1	175.6	-77.5	-177.5	-79.4	-82.1	5.3	112.2	D840 D841 T846 E847 L848	D840-R844 WeakPolarHBondContact O-CG 3.32Å; D840-R844 PolarHBondContact O-N 2.65Å; D840-R844 PolarHBondContact O-NE 3.48Å; D840-R844 IonicContact OD2-NH1 2.9Å; D841-R844 PolarHBondContact O-N 2.86Å; D841-R844 IonicContact OD1-CZ 3.92Å; D841-R844 VanDerWaalsContact OD1-CZ 3.25Å; D841-R844 IonicContact OD1-NE 2.77Å; D841-R844 PolarHBondContact OD1-NE 3.38Å; D841-R844 IonicContact OD1-NH2 3.58Å; D841-R844 PolarHBondContact OD1-NH2 3.24Å; R844-T846 VanDerWaalsContact C-N 3.32Å; R844-T846 PolarHBondContact O-N 3.41Å; R844-E847 PolarHBondContact O-N 2.82Å; R844-L848 WeakPolarHBondContact O-CB 3.38Å; R844-L848 VanDerWaalsContact O-CG 3.3Å; R844-L848 WeakPolarHBondContact O-CG 3.41Å; R844-L848 PolarHBondContact O-N 3.04Å
845	A	69.8	Low	68.1	Low	49 Å²	49	101.5 Å²	101.5	41%	0.405	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-37.9	176.6	0	0	0	0	0	112.4	D841 L842 K843 S849	D841-A845 WeakPolarHBondContact O-CB 3.36Å; D841-A845 PolarHBondContact O-N 3Å; L842-A845 PolarHBondContact O-N 3.23Å; K843-A845 PolarHBondContact O-N 3.09Å; A845-S849 WeakPolarHBondContact O-CB 3.32Å; A845-S849 PolarHBondContact O-N 2.83Å; A845-S849 PolarHBondContact O-OG 3.35Å
846	T	69.7	Low	66.7	Low	72 Å²	72	100.5 Å²	100.5	44%	0.442	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-42.6	176.3	-55.3	0	0	0	0	111.8	L842 K843 R844 S849 L850	L842-T846 WeakPolarHBondContact O-CB 3.21Å; L842-T846 PolarHBondContact O-N 2.85Å; L842-T846 PolarHBondContact O-OG1 2.8Å; K843-T846 PolarHBondContact O-N 2.97Å; R844-T846 VanDerWaalsContact C-N 3.32Å; R844-T846 PolarHBondContact O-N 3.41Å; T846-S849 PolarHBondContact O-N 3.48Å; T846-L850 HydrophobicContact CG2-CD1 4.24Å; T846-L850 WeakPolarHBondContact O-CG 3.45Å; T846-L850 PolarHBondContact O-N 3.43Å
847	E	68.1	Low	65.2	Low	137 Å²	137	98.3 Å²	98.3	64%	0.64	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-45.1	176.7	-173.8	169.4	-155.7	0	0	111.4	K843 R844 L850 Q851	K843-E847 WeakPolarHBondContact O-CB 3.25Å; K843-E847 PolarHBondContact O-N 3.3Å; R844-E847 PolarHBondContact O-N 2.82Å; E847-L850 PolarHBondContact O-N 3Å; E847-Q851 WeakPolarHBondContact O-CB 3.49Å; E847-Q851 PolarHBondContact O-N 2.85Å
848	L	67.3	Low	63	Low	103 Å²	103	99.1 Å²	99.1	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-61.1	-43.7	172.8	-70.9	168.4	0	0	0	112.1	R844 L850 Q851 E852	R844-L848 WeakPolarHBondContact O-CB 3.38Å; R844-L848 VanDerWaalsContact O-CG 3.3Å; R844-L848 WeakPolarHBondContact O-CG 3.41Å; R844-L848 PolarHBondContact O-N 3.04Å; L848-L850 VanDerWaalsContact C-N 3.31Å; L848-L850 PolarHBondContact O-N 3.16Å; L848-Q851 PolarHBondContact O-N 2.92Å; L848-Q851 VanDerWaalsContact O-N 3.1Å; L848-E852 PolarHBondContact O-N 3.23Å
849	S	68.5	Low	61.2	Low	70 Å²	70	100.8 Å²	100.8	49%	0.49	53%	0.525	S	S	.	.	H	α-helix	trans	-61.4	-38.7	176.4	-58	0	0	0	0	112.2	A845 T846 F853	A845-S849 WeakPolarHBondContact O-CB 3.32Å; A845-S849 PolarHBondContact O-N 2.83Å; A845-S849 PolarHBondContact O-OG 3.35Å; T846-S849 PolarHBondContact O-N 3.48Å; S849-F853 VanDerWaalsContact O-CB 3.26Å; S849-F853 WeakPolarHBondContact O-CB 3.44Å; S849-F853 PolarHBondContact O-N 2.86Å
850	L	63.3	Low	59.5	Low	97 Å²	97	99.9 Å²	99.9	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-70.4	-33.8	174.5	-72.3	168.5	0	0	0	111.8	T846 E847 L848 N854	T846-L850 HydrophobicContact CG2-CD1 4.24Å; T846-L850 WeakPolarHBondContact O-CG 3.45Å; T846-L850 PolarHBondContact O-N 3.43Å; E847-L850 PolarHBondContact O-N 3Å; L848-L850 VanDerWaalsContact C-N 3.31Å; L848-L850 PolarHBondContact O-N 3.16Å; L850-N854 WeakPolarHBondContact O-CB 3.2Å; L850-N854 VanDerWaalsContact O-CG 3.23Å; L850-N854 PolarHBondContact O-N 3.07Å; L850-N854 PolarHBondContact O-ND2 2.87Å
851	Q	53.3	Low	57.9	Low	121 Å²	121	102.9 Å²	102.9	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-71.2	-41.7	177	-167.6	171.2	11.4	0	0	111.8	E847 L848 S855	E847-Q851 WeakPolarHBondContact O-CB 3.49Å; E847-Q851 PolarHBondContact O-N 2.85Å; L848-Q851 PolarHBondContact O-N 2.92Å; L848-Q851 VanDerWaalsContact O-N 3.1Å; Q851-S855 WeakPolarHBondContact O-CB 3.46Å; Q851-S855 PolarHBondContact O-N 2.84Å; Q851-S855 PolarHBondContact O-OG 3.45Å
852	E	59.8	Low	55.6	Low	139 Å²	139	103 Å²	103	65%	0.65	57%	0.574	S	S	*	*	H	α-helix	trans	-62.2	-48	170.8	-72.6	-175.2	154.6	0	0	111	L848 N854 S855 S856	L848-E852 PolarHBondContact O-N 3.23Å; E852-N854 PolarHBondContact O-N 3.09Å; E852-S855 WeakPolarHBondContact O-CB 3.19Å; E852-S855 PolarHBondContact O-N 2.95Å; E852-S856 PolarHBondContact O-N 3.27Å; E852-S856 PolarHBondContact O-OG 3.09Å
853	F	46.8	Very low	53.4	Low	129 Å²	129	103.6 Å²	103.6	57%	0.566	59%	0.587	S	S	*	*	H	α-helix	trans	-57.4	-44.9	176.8	-177.8	-97.2	0	0	0	112.7	S849 S855 S856 L857	S849-F853 VanDerWaalsContact O-CB 3.26Å; S849-F853 WeakPolarHBondContact O-CB 3.44Å; S849-F853 PolarHBondContact O-N 2.86Å; F853-S855 VanDerWaalsContact C-N 3.3Å; F853-S855 PolarHBondContact O-N 3.08Å; F853-S856 PolarHBondContact O-N 3.14Å; F853-L857 HydrophobicContact CD1-CD1 4.35Å; F853-L857 HydrophobicContact CE1-CD1 3.66Å; F853-L857 HydrophobicContact CZ-CD1 3.93Å; F853-L857 WeakPolarHBondContact O-CB 3.49Å; F853-L857 PolarHBondContact O-N 3.39Å; F853-L857 VanDerWaalsContact O-N 3.12Å
854	N	49.6	Very low	51.8	Low	101 Å²	101	105.7 Å²	105.7	54%	0.54	60%	0.603	S	S	.	*	H	α-helix	trans	-68	-28.7	176.6	-74.1	-40.5	0	0	0	112.9	L850 E852	L850-N854 WeakPolarHBondContact O-CB 3.2Å; L850-N854 VanDerWaalsContact O-CG 3.23Å; L850-N854 PolarHBondContact O-N 3.07Å; L850-N854 PolarHBondContact O-ND2 2.87Å; E852-N854 PolarHBondContact O-N 3.09Å
855	S	44.5	Very low	50.2	Low	64 Å²	64	108.6 Å²	108.6	45%	0.448	62%	0.622	S	S	.	*	H	α-helix	trans	-71.5	-48.8	174.7	-55.8	0	0	0	0	111.1	Q851 E852 F853 L857 L858 E859	Q851-S855 WeakPolarHBondContact O-CB 3.46Å; Q851-S855 PolarHBondContact O-N 2.84Å; Q851-S855 PolarHBondContact O-OG 3.45Å; E852-S855 WeakPolarHBondContact O-CB 3.19Å; E852-S855 PolarHBondContact O-N 2.95Å; F853-S855 VanDerWaalsContact C-N 3.3Å; F853-S855 PolarHBondContact O-N 3.08Å; S855-L857 PolarHBondContact O-N 3.4Å; S855-L858 PolarHBondContact O-N 2.72Å; S855-E859 PolarHBondContact O-N 2.97Å
856	S	47.3	Very low	48.7	Very low	85 Å²	85	113.3 Å²	113.3	59%	0.594	64%	0.64	S	S	*	*	H	α-helix	trans	-60.4	-27.6	176	-55.7	0	0	0	0	113.2	E852 F853 L858	E852-S856 PolarHBondContact O-N 3.27Å; E852-S856 PolarHBondContact O-OG 3.09Å; F853-S856 PolarHBondContact O-N 3.14Å; S856-L858 VanDerWaalsContact C-N 3.29Å; S856-L858 PolarHBondContact O-N 3.07Å
857	L	42.9	Very low	47.2	Very low	90 Å²	90	115.1 Å²	115.1	47%	0.471	66%	0.655	S	S	.	*	H	α-helix	trans	-75.8	-15.2	176.8	-139.8	149	0	0	0	113	F853 S855	F853-L857 HydrophobicContact CD1-CD1 4.35Å; F853-L857 HydrophobicContact CE1-CD1 3.66Å; F853-L857 HydrophobicContact CZ-CD1 3.93Å; F853-L857 WeakPolarHBondContact O-CB 3.49Å; F853-L857 PolarHBondContact O-N 3.39Å; F853-L857 VanDerWaalsContact O-N 3.12Å; S855-L857 PolarHBondContact O-N 3.4Å
858	L	38.5	Very low	45.8	Very low	148 Å²	148	112.2 Å²	112.2	78%	0.775	66%	0.662	S	S	*	*	H	α-helix	trans	-96.9	-29.4	178.8	-133.4	76.2	0	0	0	113.5	S855 S856	S855-L858 PolarHBondContact O-N 2.72Å; S856-L858 VanDerWaalsContact C-N 3.29Å; S856-L858 PolarHBondContact O-N 3.07Å
859	E	37.1	Very low	44.4	Very low	174 Å²	174	114 Å²	114	81%	0.813	67%	0.672	S	S	*	*	H	α-helix	trans	-83.1	-14.9	178.4	-63.9	-171.9	140.1	0	0	113.3	S855 V861	S855-E859 PolarHBondContact O-N 2.97Å; E859-V861 PolarHBondContact O-N 3.07Å
860	G	39.8	Very low	43.1	Very low	67 Å²	67	119.4 Å²	119.4	69%	0.691	69%	0.69	S	S	*	*			trans	-76.1	29.8	-178.6	0	0	0	0	0	116.5
861	V	43	Very low	41.9	Very low	130 Å²	130	120.8 Å²	120.8	79%	0.788	70%	0.698	S	S	*	*			trans	-131.4	74.3	-178.1	-168	0	0	0	0	111.4	E859	E859-V861 PolarHBondContact O-N 3.07Å
862	G	33	Very low	41.4	Very low	69 Å²	69	118.9 Å²	118.9	71%	0.711	69%	0.694	S	S	*	*			trans	176.5	110.1	169.6	0	0	0	0	0	115.5
863	S	31.7	Very low	40.8	Very low	123 Å²	123	115.6 Å²	115.6	86%	0.86	68%	0.681	S	S	*	*			trans	66.7	141.8	162.1	-164.1	0	0	0	0	117.5
864	D	37.4	Very low	41	Very low	139 Å²	139	110.9 Å²	110.9	74%	0.743	66%	0.661	S	S	*	*			cis	-165.5	142	-37.8	-139	19	0	0	0	106.5
865	E	42.4	Very low	41.7	Very low	174 Å²	174	107.7 Å²	107.7	81%	0.813	64%	0.644	S	S	*	*			trans	60.7	159.2	162.9	-66.3	-58.9	140.7	0	0	122.1
866	D	39.3	Very low	42.8	Very low	148 Å²	148	113 Å²	113	79%	0.791	66%	0.662	S	S	*	*			trans	58.5	77.4	171.7	-158.5	19.6	0	0	0	120
867	S	37.9	Very low	44.4	Very low	109 Å²	109	111.9 Å²	111.9	76%	0.762	65%	0.645	S	S	*	*				-154.2	119.5	109.6	56.9	0	0	0	0	111.5	N869	S867-N869 PolarHBondContact O-N 3.35Å; S867-N869 VanDerWaalsContact O-N 3.14Å
868	G	39	Very low	46.5	Very low	76 Å²	76	110.3 Å²	110.3	78%	0.784	64%	0.641	S	S	*	*			trans	-79.7	95.1	-175.6	0	0	0	0	0	113.2
869	N	37.8	Very low	48.7	Very low	142 Å²	142	111.6 Å²	111.6	76%	0.759	64%	0.643	S	S	*	*			trans	-161.5	37	154.2	-124.8	38.1	0	0	0	114.7	S867 D871	S867-N869 PolarHBondContact O-N 3.35Å; S867-N869 VanDerWaalsContact O-N 3.14Å; N869-D871 PolarHBondContact O-N 2.97Å
870	E	41.3	Very low	51.1	Low	182 Å²	182	106.8 Å²	106.8	85%	0.85	63%	0.633	S	S	*	*			trans	-79	59.3	168.4	-81.5	-67	155	0	0	111.3	V872	E870-V872 PolarHBondContact O-N 2.88Å
871	D	36.7	Very low	53.4	Low	126 Å²	126	108.4 Å²	108.4	67%	0.674	62%	0.623	S	S	*	*			trans	-67.4	99.6	170.9	-100.6	-14.6	0	0	0	109.3	N869 L873	N869-D871 PolarHBondContact O-N 2.97Å; D871-L873 HydrophobicContact CB-CD2 4.48Å; D871-L873 WeakPolarHBondContact O-CD2 3.2Å; D871-L873 WeakPolarHBondContact O-CG 3.43Å; D871-L873 PolarHBondContact O-N 2.93Å
872	V	43.3	Very low	55.5	Low	81 Å²	81	104.1 Å²	104.1	49%	0.491	60%	0.601	S	S	.	*			trans	-52.2	98.7	173.6	156.9	0	0	0	0	110.2	E870 D874	E870-V872 PolarHBondContact O-N 2.88Å; V872-D874 HydrophobicContact CG1-CB 3.94Å; V872-D874 PolarHBondContact O-N 2.85Å
873	L	46.8	Very low	58.2	Low	71 Å²	71	104.9 Å²	104.9	37%	0.372	59%	0.586	S	S	.	*			trans	-79.6	43.3	178.1	-54.4	-171.2	0	0	0	112.8	D871	D871-L873 HydrophobicContact CB-CD2 4.48Å; D871-L873 WeakPolarHBondContact O-CD2 3.2Å; D871-L873 WeakPolarHBondContact O-CG 3.43Å; D871-L873 PolarHBondContact O-N 2.93Å
874	D	52.6	Low	61.1	Low	29 Å²	29	103 Å²	103	16%	0.155	56%	0.564	C	S	.	*			trans	-80.8	130.3	168.3	-85.9	-60.7	0	0	0	109.8	K520 L523 R526 V872 E876	K520-D874 VanDerWaalsContact CD-OD2 3.29Å; K520-D874 WeakPolarHBondContact CD-OD2 3.22Å; K520-D874 WeakPolarHBondContact CE-OD2 3.32Å; K520-D874 IonicContact NZ-OD2 2.71Å; K520-D874 PolarHBondContact NZ-OD2 3.13Å; L523-D874 WeakPolarHBondContact CD1-OD1 3.42Å; R526-D874 IonicContact CZ-OD1 3.49Å; R526-D874 IonicContact NE-OD1 3.64Å; R526-D874 IonicContact NH2-OD1 2.77Å; R526-D874 PolarHBondContact NH2-OD1 2.75Å; V872-D874 HydrophobicContact CG1-CB 3.94Å; V872-D874 PolarHBondContact O-N 2.85Å; D874-E876 PolarHBondContact O-N 2.87Å
875	M	63.1	Low	63.7	Low	35 Å²	35	98 Å²	98	17%	0.172	54%	0.537	C	S	.	.			trans	-76.8	111.1	169.4	-172.7	66.9	72.3	0	0	108.4	R526 D533 L534 Y877	R526-M875 PolarHBondContact NH1-O 2.84Å; R526-M875 PolarHBondContact NH2-O 3.26Å; D533-M875 VanDerWaalsContact C-CE 3.47Å; D533-M875 HydrophobicContact CB-CE 3.72Å; L534-M875 HydrophobicContact CB-CE 4.35Å; L534-M875 HydrophobicContact CD2-CE 3.87Å; L534-M875 HydrophobicContact CG-CE 3.81Å; M875-Y877 HydrophobicContact CB-CE2 4.34Å; M875-Y877 HydrophobicContact CG-CD1 4.45Å; M875-Y877 HydrophobicContact CG-CD2 4.09Å; M875-Y877 HydrophobicContact CG-CE1 3.95Å; M875-Y877 HydrophobicContact CG-CE2 3.55Å; M875-Y877 VanDerWaalsContact CG-CZ 3.48Å
876	E	68.8	Low	66	Low	176 Å²	176	95 Å²	95	82%	0.822	52%	0.521	S	S	*	.			trans	-97.3	99.9	174.8	-66.4	-169.8	164.4	0	0	109.8	D874	D874-E876 PolarHBondContact O-N 2.87Å
877	Y	80.6	Confident	68.5	Low	61 Å²	61	93.3 Å²	93.3	24%	0.239	50%	0.504	C	S	.	.			trans	-85.6	152	164.1	-56.7	-75.8	0	0	0	109.2	D533 M875 L885	D533-Y877 WeakPolarHBondContact OD2-CE1 3.44Å; D533-Y877 PolarHBondContact OD2-OH 3Å; M875-Y877 HydrophobicContact CB-CE2 4.34Å; M875-Y877 HydrophobicContact CG-CD1 4.45Å; M875-Y877 HydrophobicContact CG-CD2 4.09Å; M875-Y877 HydrophobicContact CG-CE1 3.95Å; M875-Y877 HydrophobicContact CG-CE2 3.55Å; M875-Y877 VanDerWaalsContact CG-CZ 3.48Å; Y877-L885 HydrophobicContact CD1-CD1 3.77Å; Y877-L885 HydrophobicContact CD2-CD1 4.49Å; Y877-L885 HydrophobicContact CE1-CD1 3.44Å; Y877-L885 VanDerWaalsContact CE1-CD1 3.44Å; Y877-L885 HydrophobicContact CE2-CD1 4.22Å; Y877-L885 HydrophobicContact CG-CD1 4.28Å
878	S	85.7	Confident	71.2	Confident	57 Å²	57	88.3 Å²	88.3	40%	0.399	47%	0.468	S	S	.	.			trans	-65.8	156.7	162.5	68.9	0	0	0	0	110.8	A880 E881 A882	S878-A880 PolarHBondContact O-N 2.62Å; S878-E881 WeakPolarHBondContact CB-OE2 3.31Å; S878-E881 PolarHBondContact N-OE2 2.58Å; S878-E881 PolarHBondContact O-N 2.75Å; S878-E881 VanDerWaalsContact O-N 3.11Å; S878-E881 VanDerWaalsContact OG-CD 3.27Å; S878-E881 WeakPolarHBondContact OG-CG 3Å; S878-E881 PolarHBondContact OG-N 2.94Å; S878-E881 PolarHBondContact OG-OE2 3.06Å; S878-A882 WeakPolarHBondContact O-CB 3.45Å; S878-A882 PolarHBondContact O-N 2.82Å
879	E	85.4	Confident	73.8	Confident	174 Å²	174	85.8 Å²	85.8	81%	0.813	44%	0.44	S	S	*	.	H	α-helix	trans	-55.3	-36.2	178.7	-173.5	177.4	-169.6	0	0	112.4	E883	E879-E883 PolarHBondContact O-N 2.93Å; E879-E883 VanDerWaalsContact O-N 3.08Å
880	A	87.9	Confident	76.4	Confident	73 Å²	73	85.5 Å²	85.5	60%	0.603	43%	0.434	S	S	*	.	H	α-helix	trans	-68.3	-43.9	177	0	0	0	0	0	112.7	S878 E884	S878-A880 PolarHBondContact O-N 2.62Å; A880-E884 VanDerWaalsContact O-CB 3.27Å; A880-E884 WeakPolarHBondContact O-CB 3.48Å; A880-E884 PolarHBondContact O-N 2.94Å
881	E	87.9	Confident	78.9	Confident	101 Å²	101	79.3 Å²	79.3	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-67	-40.3	175.9	-70.6	162.4	130	0	0	111.3	S878 E884 L885	S878-E881 WeakPolarHBondContact CB-OE2 3.31Å; S878-E881 PolarHBondContact N-OE2 2.58Å; S878-E881 PolarHBondContact O-N 2.75Å; S878-E881 VanDerWaalsContact O-N 3.11Å; S878-E881 VanDerWaalsContact OG-CD 3.27Å; S878-E881 WeakPolarHBondContact OG-CG 3Å; S878-E881 PolarHBondContact OG-N 2.94Å; S878-E881 PolarHBondContact OG-OE2 3.06Å; E881-E884 PolarHBondContact O-N 3.36Å; E881-L885 WeakPolarHBondContact O-CB 3.31Å; E881-L885 WeakPolarHBondContact O-CG 3.21Å; E881-L885 PolarHBondContact O-N 3.05Å
882	A	87.3	Confident	81.6	Confident	41 Å²	41	73.4 Å²	73.4	34%	0.339	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-47.4	177.9	0	0	0	0	0	111.9	S878 E884 K886	S878-A882 WeakPolarHBondContact O-CB 3.45Å; S878-A882 PolarHBondContact O-N 2.82Å; A882-E884 VanDerWaalsContact C-N 3.31Å; A882-E884 PolarHBondContact O-N 3.37Å; A882-K886 WeakPolarHBondContact O-CB 3.28Å; A882-K886 PolarHBondContact O-N 3.46Å
883	E	89.4	Confident	83.9	Confident	84 Å²	84	76.5 Å²	76.5	39%	0.393	39%	0.387	S	S	.	.	H	α-helix	trans	-69.1	-27.9	174.7	-76.6	-63.6	136.4	0	0	112.6	E879 K886 R887	E879-E883 PolarHBondContact O-N 2.93Å; E879-E883 VanDerWaalsContact O-N 3.08Å; E883-K886 WeakPolarHBondContact OE1-CD 3.43Å; E883-K886 IonicContact OE1-NZ 2.65Å; E883-K886 PolarHBondContact OE1-NZ 2.99Å; E883-K886 IonicContact OE2-NZ 2.71Å; E883-K886 PolarHBondContact OE2-NZ 3.5Å; E883-R887 WeakPolarHBondContact O-CG 3.38Å; E883-R887 PolarHBondContact O-N 3.11Å; E883-R887 PolarHBondContact O-NH1 3.42Å
884	E	92.1	Very high	86.2	Confident	83 Å²	83	74.4 Å²	74.4	39%	0.388	38%	0.376	S	S	.	.	H	α-helix	trans	-71.9	-46.2	174.3	-177.9	150.3	-88.7	0	0	113.1	A880 E881 A882 K886 R887 N888 L894	A880-E884 VanDerWaalsContact O-CB 3.27Å; A880-E884 WeakPolarHBondContact O-CB 3.48Å; A880-E884 PolarHBondContact O-N 2.94Å; E881-E884 PolarHBondContact O-N 3.36Å; A882-E884 VanDerWaalsContact C-N 3.31Å; A882-E884 PolarHBondContact O-N 3.37Å; E884-K886 VanDerWaalsContact C-N 3.26Å; E884-K886 PolarHBondContact O-N 3.29Å; E884-R887 PolarHBondContact O-N 2.98Å; E884-R887 IonicContact OE1-NH2 3.02Å; E884-R887 PolarHBondContact OE1-NH2 3Å; E884-N888 WeakPolarHBondContact O-CB 3.42Å; E884-N888 PolarHBondContact O-N 2.95Å; E884-L894 HydrophobicContact CG-CD1 4.12Å; E884-L894 HydrophobicContact CG-CD2 3.87Å; E884-L894 HydrophobicContact CG-CG 4.4Å
885	L	91.6	Very high	88	Confident	34 Å²	34	76.7 Å²	76.7	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-60.2	-38.4	172.4	-70.8	174.6	0	0	0	111.4	Q529 T596 Y877 E881 N888 A889	Q529-L885 HydrophobicContact CG-CD2 4.31Å; T596-L885 HydrophobicContact CG2-CD2 3.6Å; Y877-L885 HydrophobicContact CD1-CD1 3.77Å; Y877-L885 HydrophobicContact CD2-CD1 4.49Å; Y877-L885 HydrophobicContact CE1-CD1 3.44Å; Y877-L885 VanDerWaalsContact CE1-CD1 3.44Å; Y877-L885 HydrophobicContact CE2-CD1 4.22Å; Y877-L885 HydrophobicContact CG-CD1 4.28Å; E881-L885 WeakPolarHBondContact O-CB 3.31Å; E881-L885 WeakPolarHBondContact O-CG 3.21Å; E881-L885 PolarHBondContact O-N 3.05Å; L885-N888 PolarHBondContact O-N 3.05Å; L885-A889 WeakPolarHBondContact O-CB 3.29Å; L885-A889 PolarHBondContact O-N 2.96Å
886	K	91	Very high	89.5	Confident	111 Å²	111	76.9 Å²	76.9	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-46.3	175.4	176.2	-179.9	159	-138.7	0	112.8	A882 E883 E884 N888 A889	A882-K886 WeakPolarHBondContact O-CB 3.28Å; A882-K886 PolarHBondContact O-N 3.46Å; E883-K886 WeakPolarHBondContact OE1-CD 3.43Å; E883-K886 IonicContact OE1-NZ 2.65Å; E883-K886 PolarHBondContact OE1-NZ 2.99Å; E883-K886 IonicContact OE2-NZ 2.71Å; E883-K886 PolarHBondContact OE2-NZ 3.5Å; E884-K886 VanDerWaalsContact C-N 3.26Å; E884-K886 PolarHBondContact O-N 3.29Å; K886-N888 VanDerWaalsContact C-N 3.31Å; K886-N888 PolarHBondContact O-N 2.92Å; K886-A889 WeakPolarHBondContact O-CB 3.5Å; K886-A889 PolarHBondContact O-N 3.43Å
887	R	93.3	Very high	90.9	Very high	114 Å²	114	68.6 Å²	68.6	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-46	170.7	-73	-172.8	-48.7	-81.3	5.4	110.7	E883 E884 A889 E890 T891	E883-R887 WeakPolarHBondContact O-CG 3.38Å; E883-R887 PolarHBondContact O-N 3.11Å; E883-R887 PolarHBondContact O-NH1 3.42Å; E884-R887 PolarHBondContact O-N 2.98Å; E884-R887 IonicContact OE1-NH2 3.02Å; E884-R887 PolarHBondContact OE1-NH2 3Å; R887-A889 VanDerWaalsContact C-N 3.29Å; R887-A889 PolarHBondContact O-N 3.13Å; R887-E890 PolarHBondContact O-N 3.06Å; R887-E890 VanDerWaalsContact O-N 3.12Å; R887-T891 PolarHBondContact O-N 3.22Å; R887-T891 PolarHBondContact O-OG1 3.24Å; R887-T891 VanDerWaalsContact O-OG1 3.14Å
888	N	94.4	Very high	91.7	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-37.5	-179.8	-166.6	67.9	0	0	0	112.5	Y594 E884 L885 K886 E890 T891 G892 E893 L894 S897	Y594-N888 WeakPolarHBondContact CB-O 3.26Å; E884-N888 WeakPolarHBondContact O-CB 3.42Å; E884-N888 PolarHBondContact O-N 2.95Å; L885-N888 PolarHBondContact O-N 3.05Å; K886-N888 VanDerWaalsContact C-N 3.31Å; K886-N888 PolarHBondContact O-N 2.92Å; N888-E890 PolarHBondContact O-N 3.42Å; N888-T891 PolarHBondContact O-N 3.42Å; N888-G892 WeakPolarHBondContact O-CA 3.45Å; N888-G892 PolarHBondContact O-N 3.29Å; N888-G892 VanDerWaalsContact OD1-CA 3.24Å; N888-G892 WeakPolarHBondContact OD1-CA 3.48Å; N888-E893 PolarHBondContact OD1-N 3.1Å; N888-L894 HydrophobicContact CB-CD1 3.66Å; N888-L894 HydrophobicContact CB-CG 3.9Å; N888-L894 VanDerWaalsContact OD1-CB 3.29Å; N888-L894 WeakPolarHBondContact OD1-CB 3.3Å; N888-L894 WeakPolarHBondContact OD1-CG 3.26Å; N888-L894 PolarHBondContact OD1-N 3.41Å; N888-S897 PolarHBondContact ND2-OG 2.81Å; N888-S897 VanDerWaalsContact ND2-OG 3.15Å; N888-S897 PolarHBondContact OD1-OG 2.6Å
889	A	93.3	Very high	92.3	Very high	24 Å²	24	63.2 Å²	63.2	20%	0.198	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-23.7	177.5	0	0	0	0	0	113.5	P592 R593 Y594 L885 K886 R887	P592-A889 HydrophobicContact CB-CB 3.68Å; R593-A889 WeakPolarHBondContact CA-O 3.27Å; R593-A889 WeakPolarHBondContact CB-O 3.47Å; R593-A889 PolarHBondContact N-O 3.34Å; Y594-A889 PolarHBondContact N-O 2.85Å; Y594-A889 WeakPolarHBondContact O-CA 3.44Å; L885-A889 WeakPolarHBondContact O-CB 3.29Å; L885-A889 PolarHBondContact O-N 2.96Å; K886-A889 WeakPolarHBondContact O-CB 3.5Å; K886-A889 PolarHBondContact O-N 3.43Å; R887-A889 VanDerWaalsContact C-N 3.29Å; R887-A889 PolarHBondContact O-N 3.13Å
890	E	93	Very high	92.9	Very high	136 Å²	136	54.9 Å²	54.9	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-99	-41.4	176.6	-62.5	178.4	-172.8	0	0	113	Y594 R887 N888	Y594-E890 VanDerWaalsContact CE2-O 3.29Å; Y594-E890 WeakPolarHBondContact CE2-O 3.32Å; R887-E890 PolarHBondContact O-N 3.06Å; R887-E890 VanDerWaalsContact O-N 3.12Å; N888-E890 PolarHBondContact O-N 3.42Å
891	T	93.3	Very high	93.4	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.319	26%	0.259	S	S	.	.	H	α-helix	trans	-104.6	-26.9	-169.4	67.1	0	0	0	0	115.6	R887 N888 E893 K960	R887-T891 PolarHBondContact O-N 3.22Å; R887-T891 PolarHBondContact O-OG1 3.24Å; R887-T891 VanDerWaalsContact O-OG1 3.14Å; N888-T891 PolarHBondContact O-N 3.42Å; T891-E893 VanDerWaalsContact C-N 3.31Å; T891-E893 PolarHBondContact O-N 2.81Å; T891-E893 WeakPolarHBondContact OG1-CG 3.42Å; T891-E893 PolarHBondContact OG1-N 2.82Å; T891-K960 PolarHBondContact O-NZ 2.81Å
892	G	93.4	Very high	93.9	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.021	24%	0.236	C	C	.	.			trans	61.3	33.9	-172.2	0	0	0	0	0	113.6	Y594 N888 K960	Y594-G892 VanDerWaalsContact CD2-N 3.29Å; N888-G892 WeakPolarHBondContact O-CA 3.45Å; N888-G892 PolarHBondContact O-N 3.29Å; N888-G892 VanDerWaalsContact OD1-CA 3.24Å; N888-G892 WeakPolarHBondContact OD1-CA 3.48Å; G892-K960 WeakPolarHBondContact O-CD 3.47Å; G892-K960 WeakPolarHBondContact O-CE 3.42Å; G892-K960 PolarHBondContact O-NZ 3.45Å
893	E	92.1	Very high	94.4	Very high	146 Å²	146	44.9 Å²	44.9	68%	0.682	22%	0.22	S	C	*	.			trans	-74.4	-18.6	-178.1	-80.2	169.8	-175.9	0	0	114.7	N888 T891	N888-E893 PolarHBondContact OD1-N 3.1Å; T891-E893 VanDerWaalsContact C-N 3.31Å; T891-E893 PolarHBondContact O-N 2.81Å; T891-E893 WeakPolarHBondContact OG1-CG 3.42Å; T891-E893 PolarHBondContact OG1-N 2.82Å
894	L	93.4	Very high	94.8	Very high	27 Å²	27	40.9 Å²	40.9	14%	0.141	20%	0.201	C	C	.	.	S	Bend	trans	-73.1	147.2	177.3	-64.9	176.3	0	0	0	111.8	T596 L598 E884 N888 S897	T596-L894 HydrophobicContact CG2-CD1 3.85Å; L598-L894 HydrophobicContact CD2-CD2 4.34Å; E884-L894 HydrophobicContact CG-CD1 4.12Å; E884-L894 HydrophobicContact CG-CD2 3.87Å; E884-L894 HydrophobicContact CG-CG 4.4Å; N888-L894 HydrophobicContact CB-CD1 3.66Å; N888-L894 HydrophobicContact CB-CG 3.9Å; N888-L894 VanDerWaalsContact OD1-CB 3.29Å; N888-L894 WeakPolarHBondContact OD1-CB 3.3Å; N888-L894 WeakPolarHBondContact OD1-CG 3.26Å; N888-L894 PolarHBondContact OD1-N 3.41Å; L894-S897 VanDerWaalsContact O-CB 3.24Å; L894-S897 WeakPolarHBondContact O-CB 3.3Å; L894-S897 PolarHBondContact O-N 2.89Å; L894-S897 PolarHBondContact O-OG 2.9Å
895	P	91.8	Very high	95.1	Very high	76 Å²	76	37 Å²	37	49%	0.494	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	150.9	168.6	-21.9	31.4	0	0	0	112.3	T596 L598 S897	T596-P895 PolarHBondContact OG1-O 2.8Å; L598-P895 HydrophobicContact CD1-CB 4.28Å; L598-P895 HydrophobicContact CD1-CG 4.49Å; P895-S897 PolarHBondContact O-N 2.88Å
896	H	94.3	Very high	95.2	Very high	40 Å²	40	35.5 Å²	35.5	19%	0.185	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.6	-176.3	-45.3	-50.2	0	0	0	113.1	L562 L597 Y898	L562-H896 HydrophobicContact CD1-CB 4.11Å; L597-H896 HydrophobicContact CB-CB 4.27Å; L597-H896 PolarHBondContact N-O 2.94Å; H896-Y898 VanDerWaalsContact O-CD2 3.31Å; H896-Y898 WeakPolarHBondContact O-CD2 3.19Å
897	S	97.2	Very high	95.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	145.5	170.5	-73.5	0	0	0	0	111.8	L595 N888 L894 P895 K960	L595-S897 CarbonylContact O-C 3.48Å; L595-S897 WeakPolarHBondContact O-CA 3.33Å; N888-S897 PolarHBondContact ND2-OG 2.81Å; N888-S897 VanDerWaalsContact ND2-OG 3.15Å; N888-S897 PolarHBondContact OD1-OG 2.6Å; L894-S897 VanDerWaalsContact O-CB 3.24Å; L894-S897 WeakPolarHBondContact O-CB 3.3Å; L894-S897 PolarHBondContact O-N 2.89Å; L894-S897 PolarHBondContact O-OG 2.9Å; P895-S897 PolarHBondContact O-N 2.88Å; S897-K960 WeakPolarHBondContact O-CB 3.36Å; S897-K960 PolarHBondContact O-N 3.02Å
898	Y	98.3	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.7	178.9	-73.5	-111.3	0	0	0	111.2	L562 P563 L566 Y594 L595 L597 H896 Y957 M958 H959	L562-Y898 WeakPolarHBondContact CB-OH 3.24Å; P563-Y898 WeakPolarHBondContact CD-OH 3.41Å; P563-Y898 HydrophobicContact CG-CE1 4.34Å; P563-Y898 WeakPolarHBondContact O-CE1 3.37Å; P563-Y898 PolarHBondContact O-OH 2.94Å; L566-Y898 HydrophobicContact CB-CD1 4.01Å; L566-Y898 HydrophobicContact CB-CE1 4.02Å; Y594-Y898 CarbonylContact C-O 3.53Å; Y594-Y898 WeakPolarHBondContact CA-O 3.15Å; L595-Y898 PolarHBondContact N-O 3.29Å; L595-Y898 PolarHBondContact O-N 3.05Å; L597-Y898 HydrophobicContact CD1-CD2 4.07Å; L597-Y898 HydrophobicContact CD1-CE2 3.42Å; L597-Y898 VanDerWaalsContact CD1-CE2 3.42Å; L597-Y898 HydrophobicContact CG-CD2 4.09Å; L597-Y898 HydrophobicContact CG-CE2 3.86Å; H896-Y898 VanDerWaalsContact O-CD2 3.31Å; H896-Y898 WeakPolarHBondContact O-CD2 3.19Å; Y898-Y957 WeakPolarHBondContact CD1-O 3.37Å; Y898-M958 CarbonylContact C-O 3.57Å; Y898-M958 WeakPolarHBondContact CA-O 3.5Å; Y898-M958 VanDerWaalsContact CD1-C 3.47Å; Y898-H959 HydrophobicContact CD1-CB 4.09Å; Y898-H959 HydrophobicContact CE1-CB 3.73Å; Y898-H959 HydrophobicContact CE2-CB 4.5Å; Y898-H959 AromaticContact CE2-CD2 3.64Å; Y898-H959 AromaticContact CZ-CD2 3.58Å
899	R	97.8	Very high	94	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.5	176.4	174.8	60.3	176.3	122.2	-28.6	111.5	Y594 I901 E941 Y957 M958 F963	Y594-R899 HydrophobicContact CD1-CB 3.95Å; Y594-R899 HydrophobicContact CE1-CB 3.74Å; Y594-R899 HydrophobicContact CE1-CG 4.23Å; R899-I901 HydrophobicContact CG-CG2 4.22Å; R899-I901 PolarHBondContact O-N 2.65Å; R899-E941 IonicContact CZ-OE1 2.79Å; R899-E941 IonicContact CZ-OE2 3.2Å; R899-E941 IonicContact NH1-OE1 3.25Å; R899-E941 PolarHBondContact NH1-OE1 2.86Å; R899-E941 IonicContact NH2-OE1 2.65Å; R899-E941 PolarHBondContact NH2-OE1 3.01Å; R899-E941 IonicContact NH2-OE2 2.74Å; R899-E941 PolarHBondContact NH2-OE2 3.13Å; R899-Y957 CarbonylContact O-C 3.59Å; R899-Y957 VanDerWaalsContact O-CA 3.26Å; R899-Y957 WeakPolarHBondContact O-CA 3.44Å; R899-M958 PolarHBondContact N-O 3.2Å; R899-M958 PolarHBondContact O-N 3.38Å; R899-F963 HydrophobicContact CB-CB 4.32Å; R899-F963 HydrophobicContact CB-CD1 4.43Å; R899-F963 HydrophobicContact CB-CD2 4.29Å; R899-F963 HydrophobicContact CB-CG 4.1Å; R899-F963 HydrophobicContact CG-CD1 3.98Å; R899-F963 HydrophobicContact CG-CD2 3.68Å; R899-F963 HydrophobicContact CG-CE1 4.05Å; R899-F963 HydrophobicContact CG-CE2 3.73Å; R899-F963 HydrophobicContact CG-CG 3.81Å; R899-F963 HydrophobicContact CG-CZ 3.92Å
900	L	98.3	Very high	93.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	129.9	169	-178.3	70.2	0	0	0	110.3	I591 R593 I903 W928 F955 Y957	I591-L900 HydrophobicContact CG2-CD2 3.85Å; R593-L900 WeakPolarHBondContact O-CB 3.41Å; R593-L900 PolarHBondContact O-N 3.33Å; L900-I903 HydrophobicContact CD1-CG1 4.13Å; L900-I903 HydrophobicContact CD2-CD1 4.17Å; L900-I903 HydrophobicContact CD2-CG1 4.3Å; L900-W928 HydrophobicContact CD2-CH2 4.16Å; L900-W928 HydrophobicContact CD2-CZ2 4.36Å; L900-W928 HydrophobicContact CG-CH2 4.03Å; L900-W928 HydrophobicContact CG-CZ2 4.37Å; L900-F955 HydrophobicContact CD1-CB 4.48Å; L900-F955 HydrophobicContact CD1-CD1 4.36Å; L900-Y957 HydrophobicContact CB-CD1 3.89Å; L900-Y957 HydrophobicContact CB-CE1 3.63Å; L900-Y957 HydrophobicContact CD1-CD1 4.19Å; L900-Y957 HydrophobicContact CD1-CD2 4.2Å; L900-Y957 HydrophobicContact CD1-CE1 3.79Å; L900-Y957 HydrophobicContact CD1-CE2 3.82Å; L900-Y957 HydrophobicContact CD1-CG 4.38Å; L900-Y957 HydrophobicContact CG-CE1 4.27Å
901	I	97.9	Very high	92.1	Very high	5 Å²	5	31 Å²	31	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-22.7	179.4	57.2	157	0	0	0	114.6	I364 V565 R899 Y921 F956 M958 F963	I364-I901 HydrophobicContact CG1-CD1 4.04Å; V565-I901 HydrophobicContact CG1-CD1 4.18Å; V565-I901 HydrophobicContact CG2-CD1 4.21Å; R899-I901 HydrophobicContact CG-CG2 4.22Å; R899-I901 PolarHBondContact O-N 2.65Å; I901-Y921 PolarHBondContact O-N 3.46Å; I901-F956 HydrophobicContact CD1-CB 4.28Å; I901-F956 HydrophobicContact CG1-CB 3.9Å; I901-F956 VanDerWaalsContact CG1-O 3.24Å; I901-F956 WeakPolarHBondContact CG1-O 3.5Å; I901-F956 PolarHBondContact N-O 2.77Å; I901-M958 HydrophobicContact CD1-CB 4.09Å; I901-M958 HydrophobicContact CD1-CE 4.13Å; I901-M958 HydrophobicContact CG1-CB 4.31Å; I901-M958 HydrophobicContact CG2-CB 3.89Å; I901-F963 HydrophobicContact CG2-CD2 3.89Å; I901-F963 HydrophobicContact CG2-CE2 4.02Å
902	S	98.4	Very high	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	150.6	172.6	-178.8	0	0	0	0	112.5	S360 S918 D919 F956	S360-S902 PolarHBondContact OG-OG 3.15Å; S902-S918 PolarHBondContact OG-OG 3.4Å; S902-D919 CarbonylContact C-O 3.42Å; S902-D919 WeakPolarHBondContact CA-O 3.47Å; S902-D919 WeakPolarHBondContact CB-O 3.22Å; S902-D919 PolarHBondContact OG-O 2.92Å; S902-F956 PolarHBondContact N-O 2.9Å; S902-F956 PolarHBondContact O-N 2.85Å
903	I	98.5	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.5	169.6	-46.8	-178	0	0	0	108.9	I591 L900 S905 S918 D919 V944 R948 I954 F955	I591-I903 HydrophobicContact CD1-CD1 4.09Å; I591-I903 HydrophobicContact CG2-CD1 4.05Å; L900-I903 HydrophobicContact CD1-CG1 4.13Å; L900-I903 HydrophobicContact CD2-CD1 4.17Å; L900-I903 HydrophobicContact CD2-CG1 4.3Å; I903-S905 WeakPolarHBondContact CG2-OG 3.35Å; I903-S918 CarbonylContact O-C 3.42Å; I903-S918 WeakPolarHBondContact O-CA 3.4Å; I903-D919 PolarHBondContact N-O 3.41Å; I903-D919 PolarHBondContact O-N 3.37Å; I903-V944 HydrophobicContact CD1-CG1 3.59Å; I903-V944 HydrophobicContact CG1-CG1 4.25Å; I903-R948 HydrophobicContact CD1-CB 4.22Å; I903-R948 HydrophobicContact CD1-CG 4.46Å; I903-R948 HydrophobicContact CG2-CB 4.38Å; I903-I954 CarbonylContact C-O 2.99Å; I903-I954 WeakPolarHBondContact CA-O 3.48Å; I903-F955 HydrophobicContact CB-CD1 4.4Å; I903-F955 HydrophobicContact CD1-CD1 4.2Å; I903-F955 HydrophobicContact CD1-CE1 4.04Å; I903-F955 HydrophobicContact CG1-CD1 3.95Å; I903-F955 HydrophobicContact CG1-CE1 4.2Å; I903-F955 HydrophobicContact CG2-CD1 3.86Å; I903-F955 HydrophobicContact CG2-CE1 3.62Å; I903-F955 HydrophobicContact CG2-CZ 4.16Å
904	V	98.3	Very high	90.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.1	162.7	173.4	0	0	0	0	108.4	A356 I357 S360 A431 Y916 I917 Y953 I954 F956	A356-V904 HydrophobicContact CB-CG1 3.85Å; A356-V904 HydrophobicContact CB-CG2 4.23Å; I357-V904 HydrophobicContact CD1-CG2 4.28Å; S360-V904 WeakPolarHBondContact OG-CG2 3.34Å; A431-V904 HydrophobicContact CB-CG1 4.32Å; V904-Y916 HydrophobicContact CG1-CD1 3.98Å; V904-I917 WeakPolarHBondContact CA-O 3.15Å; V904-Y953 WeakPolarHBondContact O-CA 3.35Å; V904-Y953 WeakPolarHBondContact O-CB 3.48Å; V904-Y953 PolarHBondContact O-N 3.15Å; V904-I954 HydrophobicContact CB-CB 4.27Å; V904-I954 PolarHBondContact N-O 2.95Å; V904-I954 PolarHBondContact O-N 2.97Å; V904-F956 HydrophobicContact CG2-CE2 4.28Å
905	S	96.9	Very high	90.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.2	-173.2	-55.5	0	0	0	0	111	I903 Y916 I917 R948 S951 G952	I903-S905 WeakPolarHBondContact CG2-OG 3.35Å; S905-Y916 WeakPolarHBondContact O-CA 3.33Å; S905-I917 PolarHBondContact N-O 3.34Å; S905-I917 PolarHBondContact O-N 3.41Å; S905-R948 VanDerWaalsContact OG-CD 3.31Å; S905-R948 WeakPolarHBondContact OG-CD 3.4Å; S905-R948 WeakPolarHBondContact OG-CG 3.38Å; S905-S951 CarbonylContact C-O 3.56Å; S905-S951 WeakPolarHBondContact CA-O 3.27Å; S905-G952 WeakPolarHBondContact OG-CA 3.44Å
906	H	94.4	Very high	90.6	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.9	171.2	-170.4	-131.4	0	0	0	110.4	Y573 K584 G914 H915 Y916 S951	Y573-H906 AromaticContact CZ-ND1 3.97Å; Y573-H906 VanDerWaalsContact OH-CG 3.32Å; Y573-H906 PolarHBondContact OH-ND1 3.44Å; K584-H906 PolarHBondContact NZ-ND1 3.31Å; K584-H906 VanDerWaalsContact NZ-ND1 3.16Å; K584-H906 PolarHBondContact NZ-O 2.93Å; H906-G914 VanDerWaalsContact NE2-CA 3.33Å; H906-G914 WeakPolarHBondContact NE2-CA 3.29Å; H906-H915 PolarHBondContact CD2-O 2.92Å; H906-H915 VanDerWaalsContact CD2-O 3.25Å; H906-H915 PolarHBondContact NE2-N 2.73Å; H906-Y916 HydrophobicContact CB-CD1 3.99Å; H906-Y916 HydrophobicContact CB-CE1 3.61Å; H906-Y916 AromaticContact CD2-CD2 3.73Å; H906-Y916 AromaticContact CD2-CE1 3.92Å; H906-Y916 AromaticContact CD2-CE2 3.59Å; H906-Y916 AromaticContact CD2-CG 3.97Å; H906-Y916 AromaticContact CD2-CZ 3.69Å; H906-Y916 AromaticContact CG-CE1 3.97Å; H906-Y916 AromaticContact CG-CZ 3.91Å; H906-S951 PolarHBondContact N-O 3.05Å; H906-S951 WeakPolarHBondContact O-CB 3.36Å
907	I	91.5	Very high	90.8	Very high	72 Å²	72	26.1 Å²	26.1	37%	0.369	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.3	173.8	-59.9	176.2	0	0	0	107.9	G914 H915 I917	I907-G914 CarbonylContact O-C 3.56Å; I907-G914 WeakPolarHBondContact O-CA 3.44Å; I907-H915 PolarHBondContact N-O 3.48Å; I907-H915 PolarHBondContact O-N 3.35Å; I907-I917 HydrophobicContact CD1-CD1 3.64Å; I907-I917 HydrophobicContact CD1-CG1 4.07Å; I907-I917 HydrophobicContact CD1-CG2 4.5Å; I907-I917 HydrophobicContact CG1-CD1 4.49Å
908	G	86.2	Confident	90.8	Very high	35 Å²	35	26 Å²	26	36%	0.361	17%	0.174	S	C	.	.	S	Bend	trans	155.8	162	-173.6	0	0	0	0	0	111.5	K584	K584-G908 VanDerWaalsContact CD-O 3.3Å; K584-G908 WeakPolarHBondContact CD-O 3.05Å; K584-G908 PolarHBondContact NZ-O 2.66Å
909	S	76.1	Confident	90.8	Very high	97 Å²	97	26 Å²	26	68%	0.678	17%	0.174	S	C	*	.	S	Bend	trans	-96.7	-21.2	-175.6	49.7	0	0	0	0	114.3	K584	K584-S909 WeakPolarHBondContact CB-O 3.39Å
910	T	76.3	Confident	90.8	Very high	42 Å²	42	26 Å²	26	26%	0.258	17%	0.174	S	C	.	.	S	Bend	trans	-118.2	-175.2	-175	80.3	0	0	0	0	111.8	S912 S913	T910-S912 PolarHBondContact OG1-N 2.98Å; T910-S912 PolarHBondContact OG1-OG 3.44Å; T910-S913 PolarHBondContact OG1-N 3.29Å; T910-S913 PolarHBondContact OG1-O 3.41Å; T910-S913 PolarHBondContact OG1-OG 2.9Å
911	S	70.6	Confident	90.7	Very high	48 Å²	48	27.3 Å²	27.3	34%	0.336	18%	0.179	S	C	.	.	S	Bend	trans	-95.1	-5.7	167.7	78.3	0	0	0	0	113.8	N582	N582-S911 VanDerWaalsContact CB-OG 3.29Å; N582-S911 WeakPolarHBondContact CB-OG 3.44Å; N582-S911 PolarHBondContact ND2-OG 2.88Å
912	S	70.1	Confident	90.5	Very high	92 Å²	92	28.6 Å²	28.6	64%	0.643	19%	0.186	S	C	*	.	S	Bend	trans	-114.6	-11.1	-175.7	51.3	0	0	0	0	113.2	Q428 T910	Q428-S912 PolarHBondContact OE1-O 3.18Å; T910-S912 PolarHBondContact OG1-N 2.98Å; T910-S912 PolarHBondContact OG1-OG 3.44Å
913	S	80.7	Confident	90.2	Very high	58 Å²	58	29 Å²	29	41%	0.406	19%	0.188	S	C	.	.	S	Bend	trans	-140.4	132.2	176.2	62	0	0	0	0	111.5	T910	T910-S913 PolarHBondContact OG1-N 3.29Å; T910-S913 PolarHBondContact OG1-O 3.41Å; T910-S913 PolarHBondContact OG1-OG 2.9Å
914	G	88.6	Confident	89.7	Confident	22 Å²	22	34.2 Å²	34.2	23%	0.227	21%	0.211	C	C	.	.			trans	156.4	-160.9	176.6	0	0	0	0	0	110.9	Q428 H906 I907	Q428-G914 PolarHBondContact NE2-O 3.43Å; Q428-G914 VanDerWaalsContact OE1-N 3.1Å; Q428-G914 PolarHBondContact OE1-O 2.87Å; H906-G914 VanDerWaalsContact NE2-CA 3.33Å; H906-G914 WeakPolarHBondContact NE2-CA 3.29Å; I907-G914 CarbonylContact O-C 3.56Å; I907-G914 WeakPolarHBondContact O-CA 3.44Å
915	H	94.9	Very high	89.3	Confident	50 Å²	50	38.2 Å²	38.2	23%	0.231	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.7	-173.5	-174.7	45.9	0	0	0	111.4	C352 H906 I907 N932 D933	C352-H915 WeakPolarHBondContact CB-CE1 3.47Å; C352-H915 VanDerWaalsContact CB-ND1 3.25Å; C352-H915 WeakPolarHBondContact CB-ND1 3.14Å; C352-H915 PolarHBondContact SG-ND1 2.88Å; H906-H915 PolarHBondContact CD2-O 2.92Å; H906-H915 VanDerWaalsContact CD2-O 3.25Å; H906-H915 PolarHBondContact NE2-N 2.73Å; I907-H915 PolarHBondContact N-O 3.48Å; I907-H915 PolarHBondContact O-N 3.35Å; H915-N932 PolarHBondContact CD2-OD1 3.22Å; H915-N932 PolarHBondContact NE2-OD1 2.9Å; H915-D933 IonicContact CE1-OD2 3.84Å; H915-D933 PolarHBondContact CE1-OD2 3.25Å; H915-D933 VanDerWaalsContact CE1-OD2 3.28Å
916	Y	97.3	Very high	89.1	Confident	12 Å²	12	42.3 Å²	42.3	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.1	178.5	-75.9	-83.2	0	0	0	111.1	C352 A431 V904 S905 H906 Y953	C352-Y916 PolarHBondContact SG-N 3.27Å; A431-Y916 HydrophobicContact CB-CD1 3.85Å; A431-Y916 HydrophobicContact CB-CE1 3.56Å; A431-Y916 HydrophobicContact CB-CE2 4.45Å; A431-Y916 HydrophobicContact CB-CG 4.41Å; V904-Y916 HydrophobicContact CG1-CD1 3.98Å; S905-Y916 WeakPolarHBondContact O-CA 3.33Å; H906-Y916 HydrophobicContact CB-CD1 3.99Å; H906-Y916 HydrophobicContact CB-CE1 3.61Å; H906-Y916 AromaticContact CD2-CD2 3.73Å; H906-Y916 AromaticContact CD2-CE1 3.92Å; H906-Y916 AromaticContact CD2-CE2 3.59Å; H906-Y916 AromaticContact CD2-CG 3.97Å; H906-Y916 AromaticContact CD2-CZ 3.69Å; H906-Y916 AromaticContact CG-CE1 3.97Å; H906-Y916 AromaticContact CG-CZ 3.91Å; Y916-Y953 AromaticContact CE1-CD1 3.84Å; Y916-Y953 HydrophobicContact CE1-CD1 3.84Å; Y916-Y953 HydrophobicContact CE1-CE1 4.33Å
917	I	97.6	Very high	89.1	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	160.7	172.4	61.8	165.5	0	0	0	110.1	V904 S905 I907 T930 N932	V904-I917 WeakPolarHBondContact CA-O 3.15Å; S905-I917 PolarHBondContact N-O 3.34Å; S905-I917 PolarHBondContact O-N 3.41Å; I907-I917 HydrophobicContact CD1-CD1 3.64Å; I907-I917 HydrophobicContact CD1-CG1 4.07Å; I907-I917 HydrophobicContact CD1-CG2 4.5Å; I907-I917 HydrophobicContact CG1-CD1 4.49Å; I917-T930 HydrophobicContact CD1-CG2 4.1Å; I917-N932 HydrophobicContact CG2-CB 4.16Å; I917-N932 WeakPolarHBondContact CG2-OD1 3.39Å
918	S	98.1	Very high	89.4	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.2	175.1	-173.5	0	0	0	0	111	A356 S360 S902 I903 V920 Y931	A356-S918 WeakPolarHBondContact O-CB 3.36Å; A356-S918 PolarHBondContact O-OG 2.87Å; S360-S918 PolarHBondContact OG-OG 2.92Å; S902-S918 PolarHBondContact OG-OG 3.4Å; I903-S918 CarbonylContact O-C 3.42Å; I903-S918 WeakPolarHBondContact O-CA 3.4Å; S918-V920 WeakPolarHBondContact OG-CG2 3.29Å; S918-Y931 PolarHBondContact N-O 2.78Å; S918-Y931 VanDerWaalsContact N-O 3.11Å; S918-Y931 PolarHBondContact O-N 2.84Å
919	D	98.4	Very high	89.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.5	167.3	-56.9	-81.7	0	0	0	108.2	S902 I903 W928 F929 T930 V944 R948	S902-D919 CarbonylContact C-O 3.42Å; S902-D919 WeakPolarHBondContact CA-O 3.47Å; S902-D919 WeakPolarHBondContact CB-O 3.22Å; S902-D919 PolarHBondContact OG-O 2.92Å; I903-D919 PolarHBondContact N-O 3.41Å; I903-D919 PolarHBondContact O-N 3.37Å; D919-W928 HydrophobicContact CB-CE3 4.3Å; D919-W928 HydrophobicContact CB-CZ3 4.29Å; D919-F929 WeakPolarHBondContact CA-O 3.41Å; D919-T930 WeakPolarHBondContact OD1-CB 3.3Å; D919-T930 WeakPolarHBondContact OD1-CG2 3.15Å; D919-T930 PolarHBondContact OD1-OG1 2.83Å; D919-V944 HydrophobicContact CB-CB 4.49Å; D919-V944 HydrophobicContact CB-CG1 3.6Å; D919-V944 HydrophobicContact CB-CG2 4.01Å; D919-R948 IonicContact OD1-CZ 2.65Å; D919-R948 IonicContact OD1-NE 3.33Å; D919-R948 IonicContact OD1-NH2 2.62Å; D919-R948 PolarHBondContact OD1-NH2 2.92Å; D919-R948 IonicContact OD2-CZ 2.61Å; D919-R948 IonicContact OD2-NE 3.87Å; D919-R948 PolarHBondContact OD2-NE 2.96Å; D919-R948 IonicContact OD2-NH2 3.34Å; D919-R948 PolarHBondContact OD2-NH2 3.25Å
920	V	97.6	Very high	91	Very high	4 Å²	4	35 Å²	35	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.2	-168.6	170.6	0	0	0	0	110.4	S918 W928 F929 Y931	S918-V920 WeakPolarHBondContact OG-CG2 3.29Å; V920-W928 VanDerWaalsContact C-CE3 3.42Å; V920-W928 CarbonylContact O-C 3.56Å; V920-W928 WeakPolarHBondContact O-CA 3.42Å; V920-F929 PolarHBondContact N-O 2.87Å; V920-F929 PolarHBondContact O-N 2.84Å; V920-Y931 HydrophobicContact CB-CD2 4.16Å; V920-Y931 HydrophobicContact CB-CE2 3.92Å; V920-Y931 HydrophobicContact CG1-CE2 4.41Å; V920-Y931 HydrophobicContact CG2-CD2 4.05Å; V920-Y931 HydrophobicContact CG2-CE2 4.19Å
921	Y	97.1	Very high	91.9	Very high	27 Å²	27	33.9 Å²	33.9	11%	0.106	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.8	167.5	-173.4	-102.4	0	0	0	111.1	I901 I923 Q926 W928 F963	I901-Y921 PolarHBondContact O-N 3.46Å; Y921-I923 HydrophobicContact CD1-CG1 3.94Å; Y921-I923 HydrophobicContact CE1-CG1 4.03Å; Y921-I923 PolarHBondContact O-N 2.97Å; Y921-Q926 VanDerWaalsContact CE2-C 3.44Å; Y921-Q926 VanDerWaalsContact OH-CA 3.3Å; Y921-Q926 WeakPolarHBondContact OH-CA 3.38Å; Y921-Q926 WeakPolarHBondContact OH-CB 3.5Å; Y921-W928 AromaticContact CD2-CD1 3.62Å; Y921-W928 HydrophobicContact CD2-CD2 4.32Å; Y921-W928 AromaticContact CD2-CE2 3.99Å; Y921-W928 HydrophobicContact CD2-CG 4.11Å; Y921-W928 AromaticContact CD2-NE1 3.52Å; Y921-F963 AromaticContact CD1-CE2 3.75Å; Y921-F963 HydrophobicContact CD1-CE2 3.75Å; Y921-F963 HydrophobicContact CD1-CZ 4.03Å; Y921-F963 AromaticContact CE1-CE2 3.68Å; Y921-F963 HydrophobicContact CE1-CE2 3.68Å; Y921-F963 AromaticContact CE1-CZ 3.52Å; Y921-F963 HydrophobicContact CE1-CZ 3.52Å
922	D	93.7	Very high	93.1	Very high	32 Å²	32	33.9 Å²	33.9	17%	0.171	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109.5	170.9	-177.1	-27.5	0	0	0	108.9	K924 K925 Q926 S927 F929	D922-K924 VanDerWaalsContact C-N 3.27Å; D922-K924 PolarHBondContact O-N 3.39Å; D922-K924 WeakPolarHBondContact OD1-CA 3.39Å; D922-K924 VanDerWaalsContact OD1-CB 3.26Å; D922-K924 WeakPolarHBondContact OD1-CB 3.45Å; D922-K924 PolarHBondContact OD1-N 3.08Å; D922-K925 HydrophobicContact CB-CB 4.18Å; D922-K925 CarbonylContact O-C 3.41Å; D922-K925 PolarHBondContact O-N 3.48Å; D922-K925 PolarHBondContact OD1-N 3.15Å; D922-K925 WeakPolarHBondContact OD2-CD 3.14Å; D922-K925 WeakPolarHBondContact OD2-CE 3.06Å; D922-K925 WeakPolarHBondContact OD2-CG 3.3Å; D922-Q926 VanDerWaalsContact O-CA 3.25Å; D922-Q926 WeakPolarHBondContact O-CA 3.35Å; D922-Q926 PolarHBondContact O-N 3.28Å; D922-S927 PolarHBondContact N-O 3.01Å; D922-S927 PolarHBondContact O-N 2.84Å; D922-S927 VanDerWaalsContact O-N 3.15Å; D922-F929 HydrophobicContact CB-CD2 3.89Å; D922-F929 HydrophobicContact CB-CE2 3.81Å
923	I	90.8	Very high	94.3	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.036	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.2	178.2	-63.4	173.9	0	0	0	111.4	Q365 Y921 Q926 F963 L966 L967	Q365-I923 HydrophobicContact CG-CD1 4.4Å; Y921-I923 HydrophobicContact CD1-CG1 3.94Å; Y921-I923 HydrophobicContact CE1-CG1 4.03Å; Y921-I923 PolarHBondContact O-N 2.97Å; I923-Q926 VanDerWaalsContact O-CG 3.31Å; I923-Q926 WeakPolarHBondContact O-CG 3.35Å; I923-Q926 PolarHBondContact O-N 3.16Å; I923-F963 HydrophobicContact CD1-CD2 4.23Å; I923-F963 HydrophobicContact CD1-CE2 4.3Å; I923-F963 HydrophobicContact CG1-CE2 4.1Å; I923-L966 HydrophobicContact CD1-CB 4.28Å; I923-L966 HydrophobicContact CD1-CD1 4.09Å; I923-L967 HydrophobicContact CG2-CD1 4.21Å
924	K	88.4	Confident	94.9	Very high	110 Å²	110	31.7 Å²	31.7	48%	0.478	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-42.9	-179.8	-54.1	-166.2	150.3	-83.8	0	111.9	D922 Q926 E970	D922-K924 VanDerWaalsContact C-N 3.27Å; D922-K924 PolarHBondContact O-N 3.39Å; D922-K924 WeakPolarHBondContact OD1-CA 3.39Å; D922-K924 VanDerWaalsContact OD1-CB 3.26Å; D922-K924 WeakPolarHBondContact OD1-CB 3.45Å; D922-K924 PolarHBondContact OD1-N 3.08Å; K924-Q926 VanDerWaalsContact C-N 3.33Å; K924-E970 HydrophobicContact CB-CG 4.46Å; K924-E970 WeakPolarHBondContact CB-OE1 3.22Å; K924-E970 HydrophobicContact CG-CG 4.46Å; K924-E970 WeakPolarHBondContact CG-OE1 3.35Å; K924-E970 IonicContact NZ-OE1 2.72Å; K924-E970 PolarHBondContact NZ-OE1 3.49Å; K924-E970 IonicContact NZ-OE2 2.65Å; K924-E970 PolarHBondContact NZ-OE2 3.49Å
925	K	90.1	Very high	95.1	Very high	84 Å²	84	36.9 Å²	36.9	37%	0.365	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0.5	-179.4	-57	-179.2	-167.2	-176.9	0	112.4	L342 D922 S927 F929	L342-K925 HydrophobicContact CD1-CD 4.46Å; D922-K925 HydrophobicContact CB-CB 4.18Å; D922-K925 CarbonylContact O-C 3.41Å; D922-K925 PolarHBondContact O-N 3.48Å; D922-K925 PolarHBondContact OD1-N 3.15Å; D922-K925 WeakPolarHBondContact OD2-CD 3.14Å; D922-K925 WeakPolarHBondContact OD2-CE 3.06Å; D922-K925 WeakPolarHBondContact OD2-CG 3.3Å; K925-S927 VanDerWaalsContact O-CB 3.3Å; K925-S927 WeakPolarHBondContact O-CB 3.36Å; K925-S927 PolarHBondContact O-N 2.83Å; K925-S927 PolarHBondContact O-OG 3.04Å; K925-F929 HydrophobicContact CB-CE2 4.05Å; K925-F929 HydrophobicContact CB-CZ 4.32Å; K925-F929 HydrophobicContact CD-CE2 4.1Å; K925-F929 HydrophobicContact CD-CZ 4Å
926	Q	92.4	Very high	95.1	Very high	86 Å²	86	36 Å²	36	40%	0.402	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.5	38.1	-173.8	-62.2	-175.9	6.5	0	0	113.6	Y921 D922 I923 K924 L967	Y921-Q926 VanDerWaalsContact CE2-C 3.44Å; Y921-Q926 VanDerWaalsContact OH-CA 3.3Å; Y921-Q926 WeakPolarHBondContact OH-CA 3.38Å; Y921-Q926 WeakPolarHBondContact OH-CB 3.5Å; D922-Q926 VanDerWaalsContact O-CA 3.25Å; D922-Q926 WeakPolarHBondContact O-CA 3.35Å; D922-Q926 PolarHBondContact O-N 3.28Å; I923-Q926 VanDerWaalsContact O-CG 3.31Å; I923-Q926 WeakPolarHBondContact O-CG 3.35Å; I923-Q926 PolarHBondContact O-N 3.16Å; K924-Q926 VanDerWaalsContact C-N 3.33Å; Q926-L967 HydrophobicContact CG-CD1 3.97Å
927	S	95.2	Very high	95	Very high	20 Å²	20	38.6 Å²	38.6	14%	0.14	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.8	-165	-67	0	0	0	0	112.8	D922 K925 F929 R938	D922-S927 PolarHBondContact N-O 3.01Å; D922-S927 PolarHBondContact O-N 2.84Å; D922-S927 VanDerWaalsContact O-N 3.15Å; K925-S927 VanDerWaalsContact O-CB 3.3Å; K925-S927 WeakPolarHBondContact O-CB 3.36Å; K925-S927 PolarHBondContact O-N 2.83Å; K925-S927 PolarHBondContact O-OG 3.04Å; S927-F929 WeakPolarHBondContact O-CD2 3.34Å; S927-R938 PolarHBondContact OG-NH1 3.42Å
928	W	97.4	Very high	94.9	Very high	8 Å²	8	45.3 Å²	45.3	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	140.3	172.2	-76.6	90	0	0	0	111.9	L900 D919 V920 Y921 T939 E941 V944	L900-W928 HydrophobicContact CD2-CH2 4.16Å; L900-W928 HydrophobicContact CD2-CZ2 4.36Å; L900-W928 HydrophobicContact CG-CH2 4.03Å; L900-W928 HydrophobicContact CG-CZ2 4.37Å; D919-W928 HydrophobicContact CB-CE3 4.3Å; D919-W928 HydrophobicContact CB-CZ3 4.29Å; V920-W928 VanDerWaalsContact C-CE3 3.42Å; V920-W928 CarbonylContact O-C 3.56Å; V920-W928 WeakPolarHBondContact O-CA 3.42Å; Y921-W928 AromaticContact CD2-CD1 3.62Å; Y921-W928 HydrophobicContact CD2-CD2 4.32Å; Y921-W928 AromaticContact CD2-CE2 3.99Å; Y921-W928 HydrophobicContact CD2-CG 4.11Å; Y921-W928 AromaticContact CD2-NE1 3.52Å; W928-T939 HydrophobicContact CB-CG2 3.66Å; W928-T939 PolarHBondContact O-N 3.14Å; W928-E941 HydrophobicContact CZ2-CG 4.42Å; W928-V944 HydrophobicContact CE3-CG1 4.3Å; W928-V944 HydrophobicContact CE3-CG2 4.25Å; W928-V944 HydrophobicContact CZ3-CG1 4.22Å
929	F	97.2	Very high	94.8	Very high	11 Å²	11	46.6 Å²	46.6	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.1	175.5	-64.4	-85.9	0	0	0	110.7	L342 D919 V920 D922 K925 S927 Y931 V936 S937 R938	L342-F929 HydrophobicContact CD1-CD1 3.69Å; L342-F929 HydrophobicContact CD1-CD2 4.43Å; L342-F929 HydrophobicContact CD1-CE1 3.49Å; L342-F929 VanDerWaalsContact CD1-CE1 3.49Å; L342-F929 HydrophobicContact CD1-CE2 4.26Å; L342-F929 HydrophobicContact CD1-CG 4.16Å; L342-F929 HydrophobicContact CD1-CZ 3.8Å; D919-F929 WeakPolarHBondContact CA-O 3.41Å; V920-F929 PolarHBondContact N-O 2.87Å; V920-F929 PolarHBondContact O-N 2.84Å; D922-F929 HydrophobicContact CB-CD2 3.89Å; D922-F929 HydrophobicContact CB-CE2 3.81Å; K925-F929 HydrophobicContact CB-CE2 4.05Å; K925-F929 HydrophobicContact CB-CZ 4.32Å; K925-F929 HydrophobicContact CD-CE2 4.1Å; K925-F929 HydrophobicContact CD-CZ 4Å; S927-F929 WeakPolarHBondContact O-CD2 3.34Å; F929-Y931 HydrophobicContact CB-CD2 4.34Å; F929-Y931 HydrophobicContact CB-CE2 3.73Å; F929-V936 HydrophobicContact CB-CG1 4.05Å; F929-V936 HydrophobicContact CD1-CG1 4.19Å; F929-V936 HydrophobicContact CG-CG1 4.46Å; F929-S937 CarbonylContact C-O 3.57Å; F929-S937 VanDerWaalsContact CA-O 3.26Å; F929-S937 WeakPolarHBondContact CA-O 3.38Å; F929-R938 HydrophobicContact CD1-CB 4.08Å; F929-R938 HydrophobicContact CE1-CB 3.86Å; F929-R938 HydrophobicContact CE1-CG 4.12Å
930	T	97.7	Very high	94.6	Very high	14 Å²	14	52.6 Å²	52.6	9%	0.086	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.6	169.6	-55.2	0	0	0	0	108.8	I917 D919 V936 S937 T939	I917-T930 HydrophobicContact CD1-CG2 4.1Å; D919-T930 WeakPolarHBondContact OD1-CB 3.3Å; D919-T930 WeakPolarHBondContact OD1-CG2 3.15Å; D919-T930 PolarHBondContact OD1-OG1 2.83Å; T930-V936 WeakPolarHBondContact O-CA 3.25Å; T930-S937 PolarHBondContact N-O 2.87Å; T930-S937 PolarHBondContact O-N 3.23Å; T930-T939 WeakPolarHBondContact OG1-CG2 3.44Å
931	Y	96.8	Very high	94.5	Very high	19 Å²	19	53.7 Å²	53.7	8%	0.075	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.9	173.9	-67.9	-96.2	0	0	0	109.8	Q359 S918 V920 F929 V936	Q359-Y931 HydrophobicContact CB-CD2 4.43Å; Q359-Y931 HydrophobicContact CB-CG 4.22Å; Q359-Y931 VanDerWaalsContact CD-CD1 3.45Å; Q359-Y931 HydrophobicContact CG-CD1 3.87Å; Q359-Y931 HydrophobicContact CG-CG 3.89Å; S918-Y931 PolarHBondContact N-O 2.78Å; S918-Y931 VanDerWaalsContact N-O 3.11Å; S918-Y931 PolarHBondContact O-N 2.84Å; V920-Y931 HydrophobicContact CB-CD2 4.16Å; V920-Y931 HydrophobicContact CB-CE2 3.92Å; V920-Y931 HydrophobicContact CG1-CE2 4.41Å; V920-Y931 HydrophobicContact CG2-CD2 4.05Å; V920-Y931 HydrophobicContact CG2-CE2 4.19Å; F929-Y931 HydrophobicContact CB-CD2 4.34Å; F929-Y931 HydrophobicContact CB-CE2 3.73Å; Y931-V936 HydrophobicContact CD1-CB 4.31Å; Y931-V936 HydrophobicContact CD1-CG1 3.88Å; Y931-V936 HydrophobicContact CD1-CG2 3.54Å; Y931-V936 HydrophobicContact CD2-CG1 4.48Å; Y931-V936 HydrophobicContact CE1-CB 4.29Å; Y931-V936 HydrophobicContact CE1-CG1 3.61Å; Y931-V936 HydrophobicContact CE1-CG2 3.61Å; Y931-V936 HydrophobicContact CE2-CG1 4.24Å; Y931-V936 HydrophobicContact CG-CG1 4.3Å; Y931-V936 HydrophobicContact CG-CG2 4.48Å
932	N	95.9	Very high	94.3	Very high	48 Å²	48	55.8 Å²	55.8	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	82.8	179.5	177.3	40.4	0	0	0	109.1	H915 I917 L934 E935	H915-N932 PolarHBondContact CD2-OD1 3.22Å; H915-N932 PolarHBondContact NE2-OD1 2.9Å; I917-N932 HydrophobicContact CG2-CB 4.16Å; I917-N932 WeakPolarHBondContact CG2-OD1 3.39Å; N932-L934 PolarHBondContact O-N 2.96Å; N932-E935 HydrophobicContact CB-CB 4.16Å; N932-E935 PolarHBondContact N-O 2.86Å; N932-E935 PolarHBondContact ND2-OE2 3.35Å; N932-E935 PolarHBondContact O-N 3.44Å
933	D	94.9	Very high	94.4	Very high	24 Å²	24	57 Å²	57	13%	0.128	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	-105.8	-163.8	-75.1	-41.6	0	0	0	112.1	G344 F345 N347 N355 H915	G344-D933 CarbonylContact C-O 3.59Å; G344-D933 VanDerWaalsContact CA-O 3.26Å; G344-D933 WeakPolarHBondContact CA-O 3.49Å; F345-D933 PolarHBondContact N-O 2.88Å; F345-D933 CarbonylContact O-C 3.57Å; F345-D933 VanDerWaalsContact O-CA 3.29Å; F345-D933 WeakPolarHBondContact O-CA 3.21Å; F345-D933 WeakPolarHBondContact O-CB 3.45Å; N347-D933 HydrophobicContact CB-CB 4.4Å; N347-D933 WeakPolarHBondContact CB-OD2 3.32Å; N347-D933 PolarHBondContact ND2-OD2 3.06Å; N355-D933 PolarHBondContact ND2-OD1 3.06Å; H915-D933 IonicContact CE1-OD2 3.84Å; H915-D933 PolarHBondContact CE1-OD2 3.25Å; H915-D933 VanDerWaalsContact CE1-OD2 3.28Å
934	L	92.3	Very high	94.5	Very high	80 Å²	80	56.7 Å²	56.7	42%	0.419	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-31	179.3	-76.7	171	0	0	0	113.3	Q343 G344 F345 N932	Q343-L934 HydrophobicContact CG-CD2 4.49Å; G344-L934 PolarHBondContact N-O 3.43Å; F345-L934 PolarHBondContact O-N 2.84Å; N932-L934 PolarHBondContact O-N 2.96Å
935	E	92.4	Very high	94.8	Very high	132 Å²	132	53.6 Å²	53.6	62%	0.617	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.2	-176.2	-60.6	178.5	163.3	0	0	110	N932	N932-E935 HydrophobicContact CB-CB 4.16Å; N932-E935 PolarHBondContact N-O 2.86Å; N932-E935 PolarHBondContact ND2-OE2 3.35Å; N932-E935 PolarHBondContact O-N 3.44Å
936	V	94.9	Very high	94.9	Very high	32 Å²	32	53.3 Å²	53.3	19%	0.194	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.8	172	-166.2	0	0	0	0	108.3	L342 G344 F929 T930 Y931	L342-V936 HydrophobicContact CB-CB 3.97Å; L342-V936 HydrophobicContact CB-CG1 3.93Å; L342-V936 HydrophobicContact CB-CG2 4.28Å; L342-V936 HydrophobicContact CD1-CG1 4.27Å; L342-V936 WeakPolarHBondContact O-CG2 3.33Å; G344-V936 VanDerWaalsContact N-CG2 3.35Å; F929-V936 HydrophobicContact CB-CG1 4.05Å; F929-V936 HydrophobicContact CD1-CG1 4.19Å; F929-V936 HydrophobicContact CG-CG1 4.46Å; T930-V936 WeakPolarHBondContact O-CA 3.25Å; Y931-V936 HydrophobicContact CD1-CB 4.31Å; Y931-V936 HydrophobicContact CD1-CG1 3.88Å; Y931-V936 HydrophobicContact CD1-CG2 3.54Å; Y931-V936 HydrophobicContact CD2-CG1 4.48Å; Y931-V936 HydrophobicContact CE1-CB 4.29Å; Y931-V936 HydrophobicContact CE1-CG1 3.61Å; Y931-V936 HydrophobicContact CE1-CG2 3.61Å; Y931-V936 HydrophobicContact CE2-CG1 4.24Å; Y931-V936 HydrophobicContact CG-CG1 4.3Å; Y931-V936 HydrophobicContact CG-CG2 4.48Å
937	S	95.3	Very high	94.9	Very high	66 Å²	66	53.2 Å²	53.2	46%	0.462	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138	178.4	60	0	0	0	0	110.6	F929 T930	F929-S937 CarbonylContact C-O 3.57Å; F929-S937 VanDerWaalsContact CA-O 3.26Å; F929-S937 WeakPolarHBondContact CA-O 3.38Å; T930-S937 PolarHBondContact N-O 2.87Å; T930-S937 PolarHBondContact O-N 3.23Å
938	R	96.1	Very high	94.9	Very high	147 Å²	147	53 Å²	53	56%	0.555	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.3	171.6	-173.3	-173.5	-70.8	-120.7	3	108.8	S927 F929	S927-R938 PolarHBondContact OG-NH1 3.42Å; F929-R938 HydrophobicContact CD1-CB 4.08Å; F929-R938 HydrophobicContact CE1-CB 3.86Å; F929-R938 HydrophobicContact CE1-CG 4.12Å
939	T	95.5	Very high	94.6	Very high	27 Å²	27	53.8 Å²	53.8	17%	0.166	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	176.1	180	-169.7	0	0	0	0	110.9	W928 T930 V944	W928-T939 HydrophobicContact CB-CG2 3.66Å; W928-T939 PolarHBondContact O-N 3.14Å; T930-T939 WeakPolarHBondContact OG1-CG2 3.44Å; T939-V944 HydrophobicContact CG2-CG2 3.38Å
940	L	95.6	Very high	94.4	Very high	126 Å²	126	59.7 Å²	59.7	66%	0.66	31%	0.313	S	S	*	.			trans	-110.6	147.1	176.7	-62.6	179	0	0	0	110.3	A942 T943 V944	L940-A942 PolarHBondContact O-N 3.07Å; L940-T943 WeakPolarHBondContact O-CA 3.31Å; L940-T943 WeakPolarHBondContact O-CB 3.47Å; L940-T943 PolarHBondContact O-N 2.88Å; L940-V944 PolarHBondContact O-N 3.11Å
941	E	94.8	Very high	94.2	Very high	28 Å²	28	60 Å²	60	13%	0.131	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-49.6	-176	-175.2	168.4	-163.9	0	0	113.1	R593 R899 W928 T943 V944 Q945	R593-E941 WeakPolarHBondContact CD-OE1 3.39Å; R593-E941 VanDerWaalsContact CG-OE1 3.28Å; R593-E941 WeakPolarHBondContact CG-OE1 3.43Å; R593-E941 IonicContact CZ-OE2 3.89Å; R593-E941 IonicContact NE-OE2 3.9Å; R593-E941 IonicContact NH1-OE2 2.7Å; R593-E941 PolarHBondContact NH1-OE2 3.43Å; R899-E941 IonicContact CZ-OE1 2.79Å; R899-E941 IonicContact CZ-OE2 3.2Å; R899-E941 IonicContact NH1-OE1 3.25Å; R899-E941 PolarHBondContact NH1-OE1 2.86Å; R899-E941 IonicContact NH2-OE1 2.65Å; R899-E941 PolarHBondContact NH2-OE1 3.01Å; R899-E941 IonicContact NH2-OE2 2.74Å; R899-E941 PolarHBondContact NH2-OE2 3.13Å; W928-E941 HydrophobicContact CZ2-CG 4.42Å; E941-T943 PolarHBondContact O-N 2.83Å; E941-V944 WeakPolarHBondContact O-CA 3.48Å; E941-V944 WeakPolarHBondContact O-CB 3.33Å; E941-V944 PolarHBondContact O-N 3.12Å; E941-Q945 HydrophobicContact CG-CG 4.48Å; E941-Q945 WeakPolarHBondContact O-CG 3.4Å; E941-Q945 PolarHBondContact O-N 2.83Å
942	A	93.8	Very high	94.1	Very high	71 Å²	71	59 Å²	59	59%	0.587	31%	0.312	S	S	*	.	H	α-helix	trans	-61.9	-30.7	178.8	0	0	0	0	0	112.6	L940 C946	L940-A942 PolarHBondContact O-N 3.07Å; A942-C946 VanDerWaalsContact O-CB 3.29Å; A942-C946 WeakPolarHBondContact O-CB 3.4Å; A942-C946 PolarHBondContact O-N 3.41Å
943	T	94.4	Very high	94.1	Very high	56 Å²	56	57 Å²	57	34%	0.344	30%	0.301	S	S	.	.	H	α-helix	trans	-69.3	-42	172.8	-53.1	0	0	0	0	111	L940 E941 C946 D947	L940-T943 WeakPolarHBondContact O-CA 3.31Å; L940-T943 WeakPolarHBondContact O-CB 3.47Å; L940-T943 PolarHBondContact O-N 2.88Å; E941-T943 PolarHBondContact O-N 2.83Å; T943-C946 PolarHBondContact O-N 3.14Å; T943-D947 VanDerWaalsContact O-CB 3.27Å; T943-D947 WeakPolarHBondContact O-CB 3.5Å; T943-D947 VanDerWaalsContact O-CG 3.25Å; T943-D947 PolarHBondContact O-N 2.78Å
944	V	94.3	Very high	94.2	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-45	174.3	173.3	0	0	0	0	111.4	I903 D919 W928 T939 L940 E941 C946 R948	I903-V944 HydrophobicContact CD1-CG1 3.59Å; I903-V944 HydrophobicContact CG1-CG1 4.25Å; D919-V944 HydrophobicContact CB-CB 4.49Å; D919-V944 HydrophobicContact CB-CG1 3.6Å; D919-V944 HydrophobicContact CB-CG2 4.01Å; W928-V944 HydrophobicContact CE3-CG1 4.3Å; W928-V944 HydrophobicContact CE3-CG2 4.25Å; W928-V944 HydrophobicContact CZ3-CG1 4.22Å; T939-V944 HydrophobicContact CG2-CG2 3.38Å; L940-V944 PolarHBondContact O-N 3.11Å; E941-V944 WeakPolarHBondContact O-CA 3.48Å; E941-V944 WeakPolarHBondContact O-CB 3.33Å; E941-V944 PolarHBondContact O-N 3.12Å; V944-C946 VanDerWaalsContact C-N 3.32Å; V944-C946 PolarHBondContact O-N 3.04Å; V944-R948 HydrophobicContact CG1-CG 4.39Å; V944-R948 VanDerWaalsContact O-CB 3.31Å; V944-R948 WeakPolarHBondContact O-CB 3.43Å; V944-R948 VanDerWaalsContact O-CG 3.24Å; V944-R948 WeakPolarHBondContact O-CG 3.29Å; V944-R948 PolarHBondContact O-N 3.35Å
945	Q	93.8	Very high	94.5	Very high	46 Å²	46	52.1 Å²	52.1	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-35.9	178	-67.6	174.9	-80.8	0	0	112.5	I591 E941	I591-Q945 HydrophobicContact CG2-CG 4.48Å; I591-Q945 PolarHBondContact O-NE2 3Å; E941-Q945 HydrophobicContact CG-CG 4.48Å; E941-Q945 WeakPolarHBondContact O-CG 3.4Å; E941-Q945 PolarHBondContact O-N 2.83Å
946	C	91.9	Very high	94.8	Very high	77 Å²	77	45.8 Å²	45.8	52%	0.52	25%	0.245	S	C	.	.	H	α-helix	trans	-76.5	-54.4	177.5	-166.7	0	0	0	0	112	A942 T943 V944 R948 D949	A942-C946 VanDerWaalsContact O-CB 3.29Å; A942-C946 WeakPolarHBondContact O-CB 3.4Å; A942-C946 PolarHBondContact O-N 3.41Å; T943-C946 PolarHBondContact O-N 3.14Å; V944-C946 VanDerWaalsContact C-N 3.32Å; V944-C946 PolarHBondContact O-N 3.04Å; C946-R948 PolarHBondContact O-N 3.08Å; C946-R948 VanDerWaalsContact O-N 3.11Å; C946-D949 PolarHBondContact O-N 3.3Å
947	D	93.2	Very high	95	Very high	84 Å²	84	44.3 Å²	44.3	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-19.2	-173.7	-69.4	1.9	0	0	0	113.5	T943 S951	T943-D947 VanDerWaalsContact O-CB 3.27Å; T943-D947 WeakPolarHBondContact O-CB 3.5Å; T943-D947 VanDerWaalsContact O-CG 3.25Å; T943-D947 PolarHBondContact O-N 2.78Å; D947-S951 PolarHBondContact O-OG 2.81Å
948	R	94.4	Very high	95.1	Very high	15 Å²	15	41.1 Å²	41.1	6%	0.057	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	0.1	-176.6	-51.3	-47.5	-177	-113.6	-17.4	114.6	I591 I903 S905 D919 V944 C946 R950 S951 G952	I591-R948 VanDerWaalsContact CD1-C 3.49Å; I591-R948 HydrophobicContact CD1-CB 3.95Å; I903-R948 HydrophobicContact CD1-CB 4.22Å; I903-R948 HydrophobicContact CD1-CG 4.46Å; I903-R948 HydrophobicContact CG2-CB 4.38Å; S905-R948 VanDerWaalsContact OG-CD 3.31Å; S905-R948 WeakPolarHBondContact OG-CD 3.4Å; S905-R948 WeakPolarHBondContact OG-CG 3.38Å; D919-R948 IonicContact OD1-CZ 2.65Å; D919-R948 IonicContact OD1-NE 3.33Å; D919-R948 IonicContact OD1-NH2 2.62Å; D919-R948 PolarHBondContact OD1-NH2 2.92Å; D919-R948 IonicContact OD2-CZ 2.61Å; D919-R948 IonicContact OD2-NE 3.87Å; D919-R948 PolarHBondContact OD2-NE 2.96Å; D919-R948 IonicContact OD2-NH2 3.34Å; D919-R948 PolarHBondContact OD2-NH2 3.25Å; V944-R948 HydrophobicContact CG1-CG 4.39Å; V944-R948 VanDerWaalsContact O-CB 3.31Å; V944-R948 WeakPolarHBondContact O-CB 3.43Å; V944-R948 VanDerWaalsContact O-CG 3.24Å; V944-R948 WeakPolarHBondContact O-CG 3.29Å; V944-R948 PolarHBondContact O-N 3.35Å; C946-R948 PolarHBondContact O-N 3.08Å; C946-R948 VanDerWaalsContact O-N 3.11Å; R948-R950 PolarHBondContact O-N 2.9Å; R948-S951 WeakPolarHBondContact CA-OG 3.39Å; R948-S951 PolarHBondContact O-N 3.31Å; R948-S951 VanDerWaalsContact O-N 3.1Å; R948-G952 WeakPolarHBondContact O-CA 3.42Å; R948-G952 PolarHBondContact O-N 3.41Å
949	D	92.4	Very high	95.2	Very high	25 Å²	25	34.3 Å²	34.3	13%	0.134	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.8	-178.1	66.7	2.6	0	0	0	114.5	R572 Q588 V589 C946	R572-D949 PolarHBondContact NH2-O 2.99Å; Q588-D949 HydrophobicContact CG-CB 4.01Å; Q588-D949 WeakPolarHBondContact CG-OD2 3.24Å; Q588-D949 PolarHBondContact NE2-OD2 3.18Å; V589-D949 PolarHBondContact N-O 3.45Å; C946-D949 PolarHBondContact O-N 3.3Å
950	R	91.5	Very high	95.2	Very high	136 Å²	136	35 Å²	35	51%	0.513	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-11.4	178.6	-68.4	171.2	90	172.7	5.6	114.6	R572 G586 Q588 R948	R572-R950 PolarHBondContact NH1-O 2.91Å; G586-R950 PolarHBondContact O-NE 3.1Å; Q588-R950 HydrophobicContact CB-CG 3.63Å; Q588-R950 HydrophobicContact CG-CG 4.5Å; R948-R950 PolarHBondContact O-N 2.9Å
951	S	93.1	Very high	95.1	Very high	19 Å²	19	33.6 Å²	33.6	13%	0.133	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-23.7	-170.7	62	0	0	0	0	114.6	S905 H906 D947 R948 Y953	S905-S951 CarbonylContact C-O 3.56Å; S905-S951 WeakPolarHBondContact CA-O 3.27Å; H906-S951 PolarHBondContact N-O 3.05Å; H906-S951 WeakPolarHBondContact O-CB 3.36Å; D947-S951 PolarHBondContact O-OG 2.81Å; R948-S951 WeakPolarHBondContact CA-OG 3.39Å; R948-S951 PolarHBondContact O-N 3.31Å; R948-S951 VanDerWaalsContact O-N 3.1Å; S951-Y953 PolarHBondContact O-N 3.35Å
952	G	95.1	Very high	95.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	124.5	175.7	0	0	0	0	0	111.2	R572 S905 R948 F955	R572-G952 PolarHBondContact NE-O 3.49Å; R572-G952 PolarHBondContact NH2-O 3.3Å; S905-G952 WeakPolarHBondContact OG-CA 3.44Å; R948-G952 WeakPolarHBondContact O-CA 3.42Å; R948-G952 PolarHBondContact O-N 3.41Å; G952-F955 VanDerWaalsContact C-CZ 3.41Å; G952-F955 WeakPolarHBondContact O-CE2 3.38Å; G952-F955 WeakPolarHBondContact O-CZ 3.37Å
953	Y	95.4	Very high	95.1	Very high	6 Å²	6	29.8 Å²	29.8	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-43.4	-163.2	-179.7	-125.8	0	0	0	112	D430 H432 H569 L570 R572 Y573 V904 Y916 S951	D430-Y953 WeakPolarHBondContact OD1-CE1 3.44Å; D430-Y953 PolarHBondContact OD1-OH 3Å; D430-Y953 VanDerWaalsContact OD1-OH 3.06Å; D430-Y953 PolarHBondContact OD2-OH 2.91Å; D430-Y953 VanDerWaalsContact OD2-OH 3.12Å; H432-Y953 HydrophobicContact CB-CE1 4.17Å; H569-Y953 WeakPolarHBondContact CA-O 3.25Å; H569-Y953 AromaticContact CD2-CE2 3.35Å; H569-Y953 WeakPolarHBondContact CD2-CE2 3.22Å; H569-Y953 AromaticContact CD2-CZ 3.53Å; H569-Y953 AromaticContact NE2-CE2 3.21Å; H569-Y953 WeakPolarHBondContact NE2-CE2 3.41Å; H569-Y953 AromaticContact NE2-CZ 3.3Å; H569-Y953 VanDerWaalsContact NE2-CZ 3.3Å; H569-Y953 PolarHBondContact NE2-OH 2.82Å; L570-Y953 PolarHBondContact N-O 3.3Å; L570-Y953 WeakPolarHBondContact O-CD2 3.34Å; L570-Y953 VanDerWaalsContact O-CE2 3.29Å; L570-Y953 WeakPolarHBondContact O-CE2 3.5Å; R572-Y953 HydrophobicContact CB-CD2 4.23Å; R572-Y953 HydrophobicContact CB-CE2 4.49Å; R572-Y953 HydrophobicContact CG-CD2 4.47Å; Y573-Y953 HydrophobicContact CD2-CE2 4.02Å; Y573-Y953 HydrophobicContact CE2-CD2 4.33Å; Y573-Y953 HydrophobicContact CE2-CE1 4.39Å; Y573-Y953 AromaticContact CE2-CE2 3.74Å; Y573-Y953 HydrophobicContact CE2-CE2 3.74Å; Y573-Y953 AromaticContact CE2-CZ 3.8Å; V904-Y953 WeakPolarHBondContact O-CA 3.35Å; V904-Y953 WeakPolarHBondContact O-CB 3.48Å; V904-Y953 PolarHBondContact O-N 3.15Å; Y916-Y953 AromaticContact CE1-CD1 3.84Å; Y916-Y953 HydrophobicContact CE1-CD1 3.84Å; Y916-Y953 HydrophobicContact CE1-CE1 4.33Å; S951-Y953 PolarHBondContact O-N 3.35Å
954	I	98.2	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.9	174	-51.2	164.5	0	0	0	108.4	I357 A431 H432 L435 I567 L568 H569 I903 V904 F956	I357-I954 HydrophobicContact CD1-CD1 3.84Å; A431-I954 HydrophobicContact CB-CD1 4.09Å; H432-I954 HydrophobicContact CB-CD1 3.92Å; H432-I954 HydrophobicContact CB-CG1 4.46Å; L435-I954 HydrophobicContact CD2-CD1 4.4Å; L435-I954 HydrophobicContact CD2-CG2 4.18Å; I567-I954 HydrophobicContact CG2-CG2 3.64Å; L568-I954 CarbonylContact O-C 3.6Å; L568-I954 WeakPolarHBondContact O-CA 3.33Å; H569-I954 HydrophobicContact CB-CG1 4.44Å; I903-I954 CarbonylContact C-O 2.99Å; I903-I954 WeakPolarHBondContact CA-O 3.48Å; V904-I954 HydrophobicContact CB-CB 4.27Å; V904-I954 PolarHBondContact N-O 2.95Å; V904-I954 PolarHBondContact O-N 2.97Å; I954-F956 HydrophobicContact CG2-CE2 3.93Å; I954-F956 HydrophobicContact CG2-CZ 4.37Å
955	F	98.4	Very high	95	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.6	-173.6	-57.2	-100	0	0	0	109.8	I528 I567 L568 L570 I591 L900 I903 G952 Y957	I528-F955 HydrophobicContact CD1-CD1 3.67Å; I528-F955 HydrophobicContact CD1-CD2 4.03Å; I528-F955 HydrophobicContact CD1-CE1 3.55Å; I528-F955 HydrophobicContact CD1-CE2 3.95Å; I528-F955 HydrophobicContact CD1-CG 3.92Å; I528-F955 HydrophobicContact CD1-CZ 3.7Å; I567-F955 WeakPolarHBondContact CA-O 3.36Å; L568-F955 PolarHBondContact N-O 2.85Å; L568-F955 PolarHBondContact O-N 3.11Å; L570-F955 HydrophobicContact CB-CE2 4.48Å; L570-F955 HydrophobicContact CD1-CE2 3.54Å; L570-F955 HydrophobicContact CD1-CZ 3.94Å; L570-F955 HydrophobicContact CG-CD2 4.3Å; L570-F955 HydrophobicContact CG-CE2 3.69Å; I591-F955 HydrophobicContact CB-CE1 4.5Å; I591-F955 HydrophobicContact CD1-CE1 3.75Å; I591-F955 HydrophobicContact CD1-CZ 4.29Å; I591-F955 HydrophobicContact CG1-CE1 3.73Å; I591-F955 HydrophobicContact CG1-CZ 4.27Å; I591-F955 HydrophobicContact CG2-CD1 4.14Å; I591-F955 HydrophobicContact CG2-CE1 3.94Å; L900-F955 HydrophobicContact CD1-CB 4.48Å; L900-F955 HydrophobicContact CD1-CD1 4.36Å; I903-F955 HydrophobicContact CB-CD1 4.4Å; I903-F955 HydrophobicContact CD1-CD1 4.2Å; I903-F955 HydrophobicContact CD1-CE1 4.04Å; I903-F955 HydrophobicContact CG1-CD1 3.95Å; I903-F955 HydrophobicContact CG1-CE1 4.2Å; I903-F955 HydrophobicContact CG2-CD1 3.86Å; I903-F955 HydrophobicContact CG2-CE1 3.62Å; I903-F955 HydrophobicContact CG2-CZ 4.16Å; G952-F955 VanDerWaalsContact C-CZ 3.41Å; G952-F955 WeakPolarHBondContact O-CE2 3.38Å; G952-F955 WeakPolarHBondContact O-CZ 3.37Å; F955-Y957 HydrophobicContact CB-CD2 3.95Å; F955-Y957 HydrophobicContact CB-CE2 3.54Å; F955-Y957 HydrophobicContact CG-CE2 4.33Å
956	F	98.6	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.8	177.5	-64.4	-104.4	0	0	0	108.5	S360 L361 I364 L435 V565 I567 I901 S902 V904 I954	S360-F956 VanDerWaalsContact CB-CE2 3.47Å; L361-F956 HydrophobicContact CD2-CE1 4.07Å; I364-F956 HydrophobicContact CD1-CD1 4.04Å; I364-F956 HydrophobicContact CD1-CE1 4.41Å; L435-F956 HydrophobicContact CD2-CZ 4.2Å; V565-F956 HydrophobicContact CG1-CB 4.16Å; V565-F956 HydrophobicContact CG1-CD1 4.24Å; I567-F956 HydrophobicContact CD1-CD1 3.95Å; I567-F956 HydrophobicContact CD1-CE1 3.51Å; I567-F956 HydrophobicContact CD1-CZ 4.34Å; I567-F956 HydrophobicContact CG1-CD1 3.74Å; I567-F956 HydrophobicContact CG1-CE1 3.8Å; I567-F956 HydrophobicContact CG2-CE1 4.5Å; I901-F956 HydrophobicContact CD1-CB 4.28Å; I901-F956 HydrophobicContact CG1-CB 3.9Å; I901-F956 VanDerWaalsContact CG1-O 3.24Å; I901-F956 WeakPolarHBondContact CG1-O 3.5Å; I901-F956 PolarHBondContact N-O 2.77Å; S902-F956 PolarHBondContact N-O 2.9Å; S902-F956 PolarHBondContact O-N 2.85Å; V904-F956 HydrophobicContact CG2-CE2 4.28Å; I954-F956 HydrophobicContact CG2-CE2 3.93Å; I954-F956 HydrophobicContact CG2-CZ 4.37Å
957	Y	98.5	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.5	-177.7	-78.4	-89.9	0	0	0	109	V565 L566 L568 P592 L595 Y898 R899 L900 F955	V565-Y957 CarbonylContact C-O 3.57Å; V565-Y957 VanDerWaalsContact CA-O 3.22Å; V565-Y957 WeakPolarHBondContact CA-O 3.42Å; V565-Y957 WeakPolarHBondContact CG1-O 3.25Å; L566-Y957 PolarHBondContact N-O 3.22Å; L566-Y957 PolarHBondContact O-N 3.42Å; L568-Y957 HydrophobicContact CD1-CD2 4.3Å; L568-Y957 HydrophobicContact CD1-CE2 4.24Å; P592-Y957 PolarHBondContact O-OH 2.86Å; L595-Y957 HydrophobicContact CB-CD1 4.45Å; L595-Y957 HydrophobicContact CB-CE1 4.42Å; L595-Y957 HydrophobicContact CD1-CD1 3.9Å; L595-Y957 HydrophobicContact CD1-CD2 3.72Å; L595-Y957 HydrophobicContact CD1-CE1 3.7Å; L595-Y957 HydrophobicContact CD1-CE2 3.48Å; L595-Y957 VanDerWaalsContact CD1-CE2 3.48Å; L595-Y957 HydrophobicContact CD1-CG 3.91Å; L595-Y957 VanDerWaalsContact CD1-CZ 3.48Å; L595-Y957 HydrophobicContact CG-CD1 4.05Å; L595-Y957 HydrophobicContact CG-CE1 3.63Å; L595-Y957 HydrophobicContact CG-CE2 4.29Å; Y898-Y957 WeakPolarHBondContact CD1-O 3.37Å; R899-Y957 CarbonylContact O-C 3.59Å; R899-Y957 VanDerWaalsContact O-CA 3.26Å; R899-Y957 WeakPolarHBondContact O-CA 3.44Å; L900-Y957 HydrophobicContact CB-CD1 3.89Å; L900-Y957 HydrophobicContact CB-CE1 3.63Å; L900-Y957 HydrophobicContact CD1-CD1 4.19Å; L900-Y957 HydrophobicContact CD1-CD2 4.2Å; L900-Y957 HydrophobicContact CD1-CE1 3.79Å; L900-Y957 HydrophobicContact CD1-CE2 3.82Å; L900-Y957 HydrophobicContact CD1-CG 4.38Å; L900-Y957 HydrophobicContact CG-CE1 4.27Å; F955-Y957 HydrophobicContact CB-CD2 3.95Å; F955-Y957 HydrophobicContact CB-CE2 3.54Å; F955-Y957 HydrophobicContact CG-CE2 4.33Å
958	M	98	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.1	-179.2	-177.2	176.6	-82.1	0	0	111.5	I364 R564 V565 Y898 R899 I901 K960 I962 F963 L966	I364-M958 HydrophobicContact CG2-CE 4.2Å; R564-M958 CarbonylContact O-C 3.55Å; R564-M958 WeakPolarHBondContact O-CA 3.47Å; V565-M958 HydrophobicContact CG2-CB 4.07Å; V565-M958 HydrophobicContact CG2-CE 3.83Å; V565-M958 HydrophobicContact CG2-CG 4.12Å; Y898-M958 CarbonylContact C-O 3.57Å; Y898-M958 WeakPolarHBondContact CA-O 3.5Å; Y898-M958 VanDerWaalsContact CD1-C 3.47Å; R899-M958 PolarHBondContact N-O 3.2Å; R899-M958 PolarHBondContact O-N 3.38Å; I901-M958 HydrophobicContact CD1-CB 4.09Å; I901-M958 HydrophobicContact CD1-CE 4.13Å; I901-M958 HydrophobicContact CG1-CB 4.31Å; I901-M958 HydrophobicContact CG2-CB 3.89Å; M958-K960 PolarHBondContact O-N 2.78Å; M958-I962 HydrophobicContact CG-CB 4.48Å; M958-I962 HydrophobicContact CG-CG2 4.39Å; M958-I962 HydrophobicContact SD-CG2 4.33Å; M958-F963 HydrophobicContact CB-CB 4.47Å; M958-F963 HydrophobicContact CG-CB 4.06Å; M958-F963 HydrophobicContact SD-CB 3.81Å; M958-F963 HydrophobicContact SD-CD2 4.12Å; M958-F963 HydrophobicContact SD-CG 4.47Å; M958-L966 HydrophobicContact CE-CD1 3.91Å; M958-L966 HydrophobicContact SD-CD1 3.85Å
959	H	97.6	Very high	94.5	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	130.3	177.8	-170.5	-81	0	0	0	110	R564 P608 Y898 D961 I962 F963	R564-H959 PolarHBondContact O-N 2.8Å; P608-H959 HydrophobicContact CG-CB 3.95Å; Y898-H959 HydrophobicContact CD1-CB 4.09Å; Y898-H959 HydrophobicContact CE1-CB 3.73Å; Y898-H959 HydrophobicContact CE2-CB 4.5Å; Y898-H959 AromaticContact CE2-CD2 3.64Å; Y898-H959 AromaticContact CZ-CD2 3.58Å; H959-D961 VanDerWaalsContact CE1-CG 3.47Å; H959-D961 IonicContact CE1-OD1 2.79Å; H959-D961 IonicContact CE1-OD2 2.71Å; H959-D961 PolarHBondContact CE1-OD2 3.25Å; H959-D961 IonicContact ND1-OD1 3.66Å; H959-D961 IonicContact ND1-OD2 3.1Å; H959-D961 PolarHBondContact O-N 2.98Å; H959-I962 HydrophobicContact CB-CB 4.49Å; H959-I962 HydrophobicContact CB-CG1 4.18Å; H959-I962 WeakPolarHBondContact O-CB 3.35Å; H959-I962 PolarHBondContact O-N 3.15Å; H959-F963 PolarHBondContact O-N 3.08Å
960	K	95.6	Very high	94.2	Very high	42 Å²	42	32.4 Å²	32.4	18%	0.183	16%	0.158	C	C	.	.	H	α-helix	trans	-53.6	-50.6	-168.4	178.7	169.2	174.7	174.5	0	112.5	Y594 T891 G892 S897 M958 I962 F963 D964	Y594-K960 HydrophobicContact CE1-CD 4.06Å; Y594-K960 HydrophobicContact CE1-CG 4.33Å; T891-K960 PolarHBondContact O-NZ 2.81Å; G892-K960 WeakPolarHBondContact O-CD 3.47Å; G892-K960 WeakPolarHBondContact O-CE 3.42Å; G892-K960 PolarHBondContact O-NZ 3.45Å; S897-K960 WeakPolarHBondContact O-CB 3.36Å; S897-K960 PolarHBondContact O-N 3.02Å; M958-K960 PolarHBondContact O-N 2.78Å; K960-I962 PolarHBondContact O-N 3.17Å; K960-I962 VanDerWaalsContact O-N 3.14Å; K960-F963 WeakPolarHBondContact O-CA 3.43Å; K960-F963 WeakPolarHBondContact O-CB 3.39Å; K960-F963 PolarHBondContact O-N 2.93Å; K960-D964 WeakPolarHBondContact CE-OD2 3.41Å; K960-D964 VanDerWaalsContact CG-OD2 3.27Å; K960-D964 WeakPolarHBondContact CG-OD2 3.46Å; K960-D964 PolarHBondContact O-N 3.15Å
961	D	93.8	Very high	93.8	Very high	97 Å²	97	30 Å²	30	52%	0.519	15%	0.152	S	C	.	.	H	α-helix	trans	-56.2	-35.4	-179.7	-46.2	2.1	0	0	0	112.8	H959 E965	H959-D961 VanDerWaalsContact CE1-CG 3.47Å; H959-D961 IonicContact CE1-OD1 2.79Å; H959-D961 IonicContact CE1-OD2 2.71Å; H959-D961 PolarHBondContact CE1-OD2 3.25Å; H959-D961 IonicContact ND1-OD1 3.66Å; H959-D961 IonicContact ND1-OD2 3.1Å; H959-D961 PolarHBondContact O-N 2.98Å; D961-E965 VanDerWaalsContact O-CB 3.23Å; D961-E965 WeakPolarHBondContact O-CB 3.2Å; D961-E965 PolarHBondContact O-N 2.67Å
962	I	94.4	Very high	93.1	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-76.9	-36.3	178.6	-58.3	-65.4	0	0	0	111	L611 M958 H959 K960 L966	L611-I962 HydrophobicContact CD1-CG2 4.24Å; L611-I962 HydrophobicContact CD2-CG2 3.92Å; L611-I962 HydrophobicContact CG-CD1 4.37Å; L611-I962 HydrophobicContact CG-CG2 4.26Å; M958-I962 HydrophobicContact CG-CB 4.48Å; M958-I962 HydrophobicContact CG-CG2 4.39Å; M958-I962 HydrophobicContact SD-CG2 4.33Å; H959-I962 HydrophobicContact CB-CB 4.49Å; H959-I962 HydrophobicContact CB-CG1 4.18Å; H959-I962 WeakPolarHBondContact O-CB 3.35Å; H959-I962 PolarHBondContact O-N 3.15Å; K960-I962 PolarHBondContact O-N 3.17Å; K960-I962 VanDerWaalsContact O-N 3.14Å; I962-L966 VanDerWaalsContact O-CG 3.32Å; I962-L966 WeakPolarHBondContact O-CG 3.37Å; I962-L966 PolarHBondContact O-N 2.89Å; I962-L966 VanDerWaalsContact O-N 3.07Å
963	F	95.3	Very high	92	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-44.7	173.5	176.8	-88.9	0	0	0	111.1	R899 I901 Y921 I923 M958 H959 K960 L966 L967	R899-F963 HydrophobicContact CB-CB 4.32Å; R899-F963 HydrophobicContact CB-CD1 4.43Å; R899-F963 HydrophobicContact CB-CD2 4.29Å; R899-F963 HydrophobicContact CB-CG 4.1Å; R899-F963 HydrophobicContact CG-CD1 3.98Å; R899-F963 HydrophobicContact CG-CD2 3.68Å; R899-F963 HydrophobicContact CG-CE1 4.05Å; R899-F963 HydrophobicContact CG-CE2 3.73Å; R899-F963 HydrophobicContact CG-CG 3.81Å; R899-F963 HydrophobicContact CG-CZ 3.92Å; I901-F963 HydrophobicContact CG2-CD2 3.89Å; I901-F963 HydrophobicContact CG2-CE2 4.02Å; Y921-F963 AromaticContact CD1-CE2 3.75Å; Y921-F963 HydrophobicContact CD1-CE2 3.75Å; Y921-F963 HydrophobicContact CD1-CZ 4.03Å; Y921-F963 AromaticContact CE1-CE2 3.68Å; Y921-F963 HydrophobicContact CE1-CE2 3.68Å; Y921-F963 AromaticContact CE1-CZ 3.52Å; Y921-F963 HydrophobicContact CE1-CZ 3.52Å; I923-F963 HydrophobicContact CD1-CD2 4.23Å; I923-F963 HydrophobicContact CD1-CE2 4.3Å; I923-F963 HydrophobicContact CG1-CE2 4.1Å; M958-F963 HydrophobicContact CB-CB 4.47Å; M958-F963 HydrophobicContact CG-CB 4.06Å; M958-F963 HydrophobicContact SD-CB 3.81Å; M958-F963 HydrophobicContact SD-CD2 4.12Å; M958-F963 HydrophobicContact SD-CG 4.47Å; H959-F963 PolarHBondContact O-N 3.08Å; K960-F963 WeakPolarHBondContact O-CA 3.43Å; K960-F963 WeakPolarHBondContact O-CB 3.39Å; K960-F963 PolarHBondContact O-N 2.93Å; F963-L966 PolarHBondContact O-N 3.38Å; F963-L967 HydrophobicContact CE1-CD2 4.38Å; F963-L967 WeakPolarHBondContact O-CB 3.29Å; F963-L967 PolarHBondContact O-N 2.94Å
964	D	93.6	Very high	89.9	Confident	53 Å²	53	43.8 Å²	43.8	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-68.4	-39.9	178.3	-65.7	-22	0	0	0	110.5	K960 L966 L967 E968	K960-D964 WeakPolarHBondContact CE-OD2 3.41Å; K960-D964 VanDerWaalsContact CG-OD2 3.27Å; K960-D964 WeakPolarHBondContact CG-OD2 3.46Å; K960-D964 PolarHBondContact O-N 3.15Å; D964-L966 PolarHBondContact O-N 3.43Å; D964-L967 PolarHBondContact O-N 2.85Å; D964-E968 WeakPolarHBondContact O-CG 3.4Å; D964-E968 PolarHBondContact O-N 2.83Å
965	E	93	Very high	87.3	Confident	80 Å²	80	49.2 Å²	49.2	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-57.3	-45.3	171.8	-175.7	-176.7	-178.4	0	0	112.3	L611 D961 T969	L611-E965 HydrophobicContact CD1-CG 4.07Å; L611-E965 WeakPolarHBondContact CG-OE2 3.41Å; D961-E965 VanDerWaalsContact O-CB 3.23Å; D961-E965 WeakPolarHBondContact O-CB 3.2Å; D961-E965 PolarHBondContact O-N 2.67Å; E965-T969 WeakPolarHBondContact O-CB 3.19Å; E965-T969 PolarHBondContact O-N 2.84Å; E965-T969 PolarHBondContact O-OG1 3.2Å
966	L	91.8	Very high	84.6	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-38.8	175.1	-71.8	172.1	0	0	0	112.2	Q365 L611 I923 M958 I962 F963 D964 T969 E970	Q365-L966 HydrophobicContact CB-CD1 4.31Å; Q365-L966 HydrophobicContact CB-CD2 4.44Å; L611-L966 HydrophobicContact CD1-CD2 3.56Å; L611-L966 HydrophobicContact CD1-CG 3.75Å; I923-L966 HydrophobicContact CD1-CB 4.28Å; I923-L966 HydrophobicContact CD1-CD1 4.09Å; M958-L966 HydrophobicContact CE-CD1 3.91Å; M958-L966 HydrophobicContact SD-CD1 3.85Å; I962-L966 VanDerWaalsContact O-CG 3.32Å; I962-L966 WeakPolarHBondContact O-CG 3.37Å; I962-L966 PolarHBondContact O-N 2.89Å; I962-L966 VanDerWaalsContact O-N 3.07Å; F963-L966 PolarHBondContact O-N 3.38Å; D964-L966 PolarHBondContact O-N 3.43Å; L966-T969 PolarHBondContact O-N 3.41Å; L966-E970 PolarHBondContact O-N 3.07Å
967	L	91.9	Very high	81.7	Confident	23 Å²	23	62.8 Å²	62.8	12%	0.12	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-44	-179.9	-168.5	72	0	0	0	111.7	I923 Q926 F963 D964 E970 K971	I923-L967 HydrophobicContact CG2-CD1 4.21Å; Q926-L967 HydrophobicContact CG-CD1 3.97Å; F963-L967 HydrophobicContact CE1-CD2 4.38Å; F963-L967 WeakPolarHBondContact O-CB 3.29Å; F963-L967 PolarHBondContact O-N 2.94Å; D964-L967 PolarHBondContact O-N 2.85Å; L967-E970 PolarHBondContact O-N 3.28Å; L967-K971 VanDerWaalsContact O-CG 3.31Å; L967-K971 WeakPolarHBondContact O-CG 3.43Å; L967-K971 PolarHBondContact O-N 2.68Å
968	E	90.5	Very high	79	Confident	85 Å²	85	71.7 Å²	71.7	40%	0.397	39%	0.39	S	S	.	.	H	α-helix	trans	-67.4	-37	172.5	-61.6	-43.8	130	0	0	111.8	D964 E970 K971 N972	D964-E968 WeakPolarHBondContact O-CG 3.4Å; D964-E968 PolarHBondContact O-N 2.83Å; E968-E970 VanDerWaalsContact C-N 3.32Å; E968-E970 PolarHBondContact O-N 2.71Å; E968-K971 PolarHBondContact O-N 3.21Å; E968-K971 IonicContact OE1-NZ 3.96Å; E968-K971 PolarHBondContact OE1-NZ 3.33Å; E968-K971 WeakPolarHBondContact OE2-CD 3.25Å; E968-K971 IonicContact OE2-NZ 3.95Å; E968-K971 PolarHBondContact OE2-NZ 2.93Å; E968-N972 WeakPolarHBondContact O-CB 3.24Å; E968-N972 PolarHBondContact O-N 2.8Å; E968-N972 PolarHBondContact O-ND2 3.28Å
969	T	87.6	Confident	76.1	Confident	84 Å²	84	80.6 Å²	80.6	52%	0.515	43%	0.431	S	S	.	.	H	α-helix	trans	-59.4	-43.6	175	-60.8	0	0	0	0	111.4	E965 L966 A973	E965-T969 WeakPolarHBondContact O-CB 3.19Å; E965-T969 PolarHBondContact O-N 2.84Å; E965-T969 PolarHBondContact O-OG1 3.2Å; L966-T969 PolarHBondContact O-N 3.41Å; T969-A973 WeakPolarHBondContact O-CB 3.42Å; T969-A973 PolarHBondContact O-N 3.35Å; T969-A973 VanDerWaalsContact O-N 3.1Å
970	E	85.5	Confident	73.4	Confident	28 Å²	28	87.8 Å²	87.8	13%	0.131	48%	0.475	C	S	.	.	H	α-helix	trans	-72	-38.7	178.5	-168.3	81.5	-163.2	0	0	112.4	K924 L966 L967 E968 N972 A973 Q974	K924-E970 HydrophobicContact CB-CG 4.46Å; K924-E970 WeakPolarHBondContact CB-OE1 3.22Å; K924-E970 HydrophobicContact CG-CG 4.46Å; K924-E970 WeakPolarHBondContact CG-OE1 3.35Å; K924-E970 IonicContact NZ-OE1 2.72Å; K924-E970 PolarHBondContact NZ-OE1 3.49Å; K924-E970 IonicContact NZ-OE2 2.65Å; K924-E970 PolarHBondContact NZ-OE2 3.49Å; L966-E970 PolarHBondContact O-N 3.07Å; L967-E970 PolarHBondContact O-N 3.28Å; E968-E970 VanDerWaalsContact C-N 3.32Å; E968-E970 PolarHBondContact O-N 2.71Å; E970-N972 VanDerWaalsContact C-N 3.32Å; E970-N972 PolarHBondContact O-N 2.82Å; E970-A973 PolarHBondContact O-N 3.37Å; E970-A973 VanDerWaalsContact O-N 3.1Å; E970-Q974 PolarHBondContact O-N 3.26Å; E970-Q974 VanDerWaalsContact O-N 3.1Å
971	K	84.1	Confident	70.8	Confident	87 Å²	87	89.3 Å²	89.3	38%	0.378	50%	0.502	S	S	.	.	H	α-helix	trans	-57.2	-45	172.6	-76.1	165.3	175.1	177.5	0	111.8	L967 E968 A973 Q974	L967-K971 VanDerWaalsContact O-CG 3.31Å; L967-K971 WeakPolarHBondContact O-CG 3.43Å; L967-K971 PolarHBondContact O-N 2.68Å; E968-K971 PolarHBondContact O-N 3.21Å; E968-K971 IonicContact OE1-NZ 3.96Å; E968-K971 PolarHBondContact OE1-NZ 3.33Å; E968-K971 WeakPolarHBondContact OE2-CD 3.25Å; E968-K971 IonicContact OE2-NZ 3.95Å; E968-K971 PolarHBondContact OE2-NZ 2.93Å; K971-A973 VanDerWaalsContact C-N 3.26Å; K971-A973 PolarHBondContact O-N 3.04Å; K971-Q974 PolarHBondContact O-N 3.27Å
972	N	79	Confident	68.2	Low	139 Å²	139	96.2 Å²	96.2	74%	0.743	52%	0.521	S	S	*	.	H	α-helix	trans	-72	-18.4	177.7	-71.2	-62.3	0	0	0	113.2	E968 E970	E968-N972 WeakPolarHBondContact O-CB 3.24Å; E968-N972 PolarHBondContact O-N 2.8Å; E968-N972 PolarHBondContact O-ND2 3.28Å; E970-N972 VanDerWaalsContact C-N 3.32Å; E970-N972 PolarHBondContact O-N 2.82Å
973	A	71.2	Confident	65.2	Low	70 Å²	70	101.5 Å²	101.5	58%	0.579	56%	0.559	S	S	*	*	H	α-helix	trans	-86.2	-16.2	174	0	0	0	0	0	113.5	T969 E970 K971	T969-A973 WeakPolarHBondContact O-CB 3.42Å; T969-A973 PolarHBondContact O-N 3.35Å; T969-A973 VanDerWaalsContact O-N 3.1Å; E970-A973 PolarHBondContact O-N 3.37Å; E970-A973 VanDerWaalsContact O-N 3.1Å; K971-A973 VanDerWaalsContact C-N 3.26Å; K971-A973 PolarHBondContact O-N 3.04Å
974	Q	51.4	Low	62.5	Low	104 Å²	104	108 Å²	108	49%	0.486	59%	0.593	S	S	.	*	S	Bend	trans	-81.5	120.1	171.8	-70	-178.3	11.8	0	0	109.5	E970 K971	E970-Q974 PolarHBondContact O-N 3.26Å; E970-Q974 VanDerWaalsContact O-N 3.1Å; K971-Q974 PolarHBondContact O-N 3.27Å
975	P	44.1	Very low	59.6	Low	114 Å²	114	117 Å²	117	74%	0.74	62%	0.623	S	S	*	*			trans	-66.7	145.7	179.8	27.5	-34.3	0	0	0	111.3	S977	P975-S977 PolarHBondContact O-N 2.93Å
976	L	40.5	Very low	56.6	Low	181 Å²	181	121.5 Å²	121.5	95%	0.948	64%	0.643	S	S	*	*			trans	-65.5	77.1	176.7	-79.4	163.1	0	0	0	111.9
977	S	39.1	Very low	54.4	Low	104 Å²	104	127 Å²	127	73%	0.727	68%	0.68	S	S	*	*			trans	-122.2	57.1	-178.8	-163.9	0	0	0	0	111.4	P975	P975-S977 PolarHBondContact O-N 2.93Å
978	M	40.8	Very low	51.7	Low	188 Å²	188	138 Å²	138	93%	0.926	74%	0.737	S	S	*	*	S	Bend	trans	-160.2	14.8	163.5	-117.5	174.6	125.2	0	0	116.9
979	E	37.8	Very low	49.8	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	75%	0.754	S	S	*	*			trans	-120.3	50.6	174.5	-72.6	-148.9	128.6	0	0	114.3
980	V	39.9	Very low	47.8	Very low	155 Å²	155	143.6 Å²	143.6	94%	0.939	77%	0.767	S	S	*	*	S	Bend	trans	-130	93.2	159.8	-176.8	0	0	0	0	108.4
981	G	42.8	Very low	45.7	Very low	73 Å²	73	150 Å²	150	75%	0.753	80%	0.802	S	S	*	*	S	Bend	trans	174.6	14.9	-176.5	0	0	0	0	0	120.1
982	R	38	Very low	43.5	Very low	243 Å²	243	153.7 Å²	153.7	92%	0.917	83%	0.827	S	S	*	*			trans	-156.5	58.6	175.8	-116.7	166.8	-150.5	-143.5	3.9	115.6
983	S	32.1	Very low	41.2	Very low	122 Å²	122	154.6 Å²	154.6	85%	0.853	83%	0.832	S	S	*	*			trans	-85.6	120.9	161.6	-166.1	0	0	0	0	109.6
984	I	38.3	Very low	39.2	Very low	143 Å²	143	160.3 Å²	160.3	73%	0.733	85%	0.849	S	S	*	*			trans	-81.7	127.6	-175.9	-62.9	169.3	0	0	0	109.6	Q986	I984-Q986 HydrophobicContact CG2-CG 4.18Å
985	R	32.8	Very low	38.4	Very low	242 Å²	242	164.3 Å²	164.3	91%	0.913	88%	0.875	S	S	*	*			trans	-110.9	110.6	158	-75.1	-170.2	172.9	-164.4	-2.1	109.2
986	Q	30.1	Very low	37.9	Very low	174 Å²	174	168.2 Å²	168.2	81%	0.813	89%	0.885	S	S	*	*			trans	-79.6	148.9	161.1	-73.5	-180	-38.6	0	0	109.2	I984	I984-Q986 HydrophobicContact CG2-CG 4.18Å
987	P	44.8	Very low	37.7	Very low	123 Å²	123	167.1 Å²	167.1	80%	0.799	88%	0.88	S	S	*	*			trans	-83.5	139.2	175	33.3	-33.2	0	0	0	112
988	L	36.3	Very low	37.6	Very low	252 Å²	252	172.8 Å²	172.8	100%	1.319	89%	0.894	S	S	*	*			trans	-143.2	0	154.6	-90	174.2	0	0	0	107.4

Retrieved 988 of 988 residues in 206.2 ms (Link to these results)

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