A0A5K4FET1_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A5K4FET1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,380 aa.

						>A0A5K4FET1_SCHMA|A0A5K4FET1
MATAASSSKQPVCVPDNVTGDKVVHWKIHRRQLVNPSVSICELVDDASGRIDIRAPGYGWVTKMKDEGATVVPGCVLFNFLPCTHHVVMKDLCAECGANLRREGGISGERITDASASIPMVHAIPELHVSETVADEIALQDQQSLLAARKLVLLVDLDQTIIHTTNDPQAFKYKNVHRYRLPGSPLVYHTRLRPHLEKVLDCLSQYYQMHICTFGNRVYAHQLASMIDPKRRYFSQRILSRDECFNPVTKSANLKALFPRGLNLVCIIDDRGEVWDWSSNLIHVKPYRFFPDIGDINAFPWSSQSSPLSSSSIPTSSSFGSCTSTSTKVTESSSSLLSNCSNVQLIDKSDENVNSQVSEVNENIISHDVETKSNNNDNTTTAINNTEKPVRCTVDKTNDNPSVTTTDNNDIEFCQTQSTNANVTLKSSKSTDNIGDHIDDNPTTTAVVDNDDEIQLTSSEKDHNSDSLSKIKEIEIEMDAADDDYLLRLQEILLRIHRNYFKTYDLWQTGHYHHHHHHQTTLMTKASENKYSDHSTNSSIVNNSRKNVCLTNPTGNTDVPVHLPHVSDIIAKLRKTVLGPNCHITLSGLSPAHFPADRCLAGRIVRSLGGILHASLRLPSICNQSNVDDDNKNGDNTTSIPVNKLELKSESHGIAHSVSTHYTTHLIACRRGTEKVHAALKYLTINDNLQLNNNSSSHSLHLVSPQWLWSCHYHWDHVCELKYPLDRDFHPSDFDPDIEPIPGTIRYAKRMRRHYYHHHHSHINSSDGLHHHHSTHNDNRPRHHRHGHSRHHHHRHSQHHAHLQDRHNHKHSHQHHRSSMEFEPSSDVNEDIEQKIPRLDPSVVRSALDSIRTERENDRKRKLRRKSKNKRHHKRHRRDSSHHEDAKEKNISLIDNLTINDQGGLMFGNESSSSSSSSPSLKSDSSIESDLDHHDGQPNNSSLSSSSMEHSTKQETIISTENSKLACLFDESLCDHSEICQNKSIINCDLCKSNSLLLCNSDKLIMKSPAVINPYVTEIKDEGDQDFNEYTITGNPIELNDDKEEREGTRNTEQFNGDDEDVNVDDGEEDELSDLTNEQIEGEEEEEEVKAQLSDFLPPPTTLVLADNPLMHLPPDATGKMLAEIEDAVLEEVTERATSIPREAEIYDPAVDNFNDTSSTDSSSDNQTSVIELTKFHKSHITTNELPKNPMECDRRTLNWQGWGPDEHVHKVSKHRFSSQKRWLIGSHHHKFSRLSVSPAIHSDPEPNVNWWIQDTEDVENKEWNTCPEGYDYADAERTREIMYDSRRDRYESCKYENNIAYQQRGHGNLTRCLFGADDNPEDINQSSADDEDAEDVIGPVSDISIGEDSGELGNDEDDDEEEEDEDLTDERWDPLREFM
					

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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	30.3	Very low	48.5	Very low	231 Å²	231	108.4 Å²	108.4	100%	1.138	68%	0.678	S	S	*	*				0	115	0	-75.6	177	171.3	0	0	108.1
2	A	28.7	Very low	51.9	Low	72 Å²	72	101.8 Å²	101.8	60%	0.595	64%	0.637	S	S	*	*			trans	-126	119	167.7	0	0	0	0	0	107.2
3	T	30.2	Very low	55	Low	139 Å²	139	97.5 Å²	97.5	85%	0.853	61%	0.612	S	S	*	*			trans	-75.5	136	178.7	42.2	0	0	0	0	109.8	A5	T3-A5 PolarHBondContact O-N 2.66Å
4	A	27.4	Very low	57.4	Low	99 Å²	99	90.6 Å²	90.6	82%	0.818	57%	0.569	S	S	*	*			trans	-57.4	115.2	173	0	0	0	0	0	110	S6	A4-S6 PolarHBondContact O-N 3.22Å
5	A	30.7	Very low	59.3	Low	101 Å²	101	87.9 Å²	87.9	84%	0.835	55%	0.552	S	S	*	*			trans	-75.2	70.2	175.4	0	0	0	0	0	109.9	T3 S7	T3-A5 PolarHBondContact O-N 2.66Å; A5-S7 PolarHBondContact O-N 3.27Å
6	S	38.1	Very low	60.9	Low	100 Å²	100	91.2 Å²	91.2	70%	0.699	57%	0.565	S	S	*	*			trans	-50.8	132.5	163.4	177.6	0	0	0	0	108.6	A4 S8	A4-S6 PolarHBondContact O-N 3.22Å; S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 3.21Å
7	S	51.1	Low	62	Low	59 Å²	59	93.8 Å²	93.8	41%	0.413	57%	0.574	S	S	.	*			trans	-61.8	89.7	-175.8	60.8	0	0	0	0	110.4	A5 K9	A5-S7 PolarHBondContact O-N 3.27Å; S7-K9 PolarHBondContact O-N 3.03Å; S7-K9 VanDerWaalsContact O-N 3.15Å
8	S	56.8	Low	62.8	Low	80 Å²	80	88.8 Å²	88.8	56%	0.559	54%	0.544	S	S	*	.			trans	-72.2	111.7	-172.9	49.4	0	0	0	0	109.2	S6 Q10	S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 3.21Å; S8-Q10 PolarHBondContact O-N 3.04Å
9	K	71	Confident	63.5	Low	135 Å²	135	89.7 Å²	89.7	59%	0.587	55%	0.549	S	S	*	.			trans	-60.9	108.1	174.6	-67.5	166.2	-176.5	167.2	0	107.7	S7 P11 F80 L81	S7-K9 PolarHBondContact O-N 3.03Å; S7-K9 VanDerWaalsContact O-N 3.15Å; K9-P11 WeakPolarHBondContact O-CD 3.46Å; K9-F80 CarbonylContact C-O 3.57Å; K9-F80 WeakPolarHBondContact CA-O 3.3Å; K9-L81 HydrophobicContact CG-CD1 4.21Å
10	Q	80.8	Confident	64	Low	98 Å²	98	87.8 Å²	87.8	46%	0.458	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.3	-177.1	-68.4	-174.5	-8.4	0	0	109.1	S8 V12 N79 F80	S8-Q10 PolarHBondContact O-N 3.04Å; Q10-V12 PolarHBondContact O-N 2.86Å; Q10-N79 CarbonylContact O-C 3.57Å; Q10-N79 WeakPolarHBondContact O-CA 3.24Å; Q10-F80 PolarHBondContact N-O 2.54Å; Q10-F80 PolarHBondContact O-N 2.78Å
11	P	88.3	Confident	64.8	Low	78 Å²	78	88.6 Å²	88.6	51%	0.506	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120.1	171.7	29.2	-31.8	0	0	0	109	K9 V76	K9-P11 WeakPolarHBondContact O-CD 3.46Å; P11-V76 HydrophobicContact CB-CG1 3.82Å; P11-V76 HydrophobicContact CB-CG2 3.94Å
12	V	89.8	Confident	67.4	Low	30 Å²	30	77.7 Å²	77.7	18%	0.182	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.9	172.6	-178.7	0	0	0	0	107.9	Q10 P56 L77 F78 F80	Q10-V12 PolarHBondContact O-N 2.86Å; V12-P56 HydrophobicContact CG2-CG 4.29Å; V12-L77 PolarHBondContact O-N 2.86Å; V12-F78 HydrophobicContact CB-CD1 4.22Å; V12-F78 HydrophobicContact CB-CD2 4.15Å; V12-F78 HydrophobicContact CB-CE1 3.8Å; V12-F78 HydrophobicContact CB-CE2 3.74Å; V12-F78 HydrophobicContact CB-CG 4.38Å; V12-F78 HydrophobicContact CB-CZ 3.55Å; V12-F78 HydrophobicContact CG1-CE1 3.71Å; V12-F78 HydrophobicContact CG1-CE2 4.28Å; V12-F78 HydrophobicContact CG1-CZ 3.58Å; V12-F78 HydrophobicContact CG2-CD2 4.14Å; V12-F78 HydrophobicContact CG2-CE1 4.43Å; V12-F78 HydrophobicContact CG2-CE2 3.52Å; V12-F78 HydrophobicContact CG2-CZ 3.68Å; V12-F78 PolarHBondContact N-O 2.84Å; V12-F78 PolarHBondContact O-N 2.94Å; V12-F80 HydrophobicContact CG2-CB 4Å
13	C	91.4	Very high	70.2	Confident	46 Å²	46	77.3 Å²	77.3	31%	0.311	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	164.3	-175.7	-63.1	0	0	0	0	112.8	P15 G74 C75	C13-P15 WeakPolarHBondContact O-CD 3.43Å; C13-G74 PolarHBondContact SG-O 3.11Å; C13-C75 CarbonylContact C-O 3.57Å; C13-C75 WeakPolarHBondContact CA-O 3.22Å; C13-C75 WeakPolarHBondContact CB-O 3.31Å
14	V	88.5	Confident	73.2	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-57.6	124.3	161.1	178.6	0	0	0	0	108.9	V18 L43 V71 G74 C75 L77	V14-V18 HydrophobicContact CG1-CB 3.77Å; V14-V18 HydrophobicContact CG1-CG1 3.94Å; V14-V18 HydrophobicContact CG1-CG2 3.73Å; V14-L43 HydrophobicContact CG1-CD1 4.05Å; V14-L43 HydrophobicContact CG2-CD1 4.15Å; V14-V71 HydrophobicContact CG2-CB 3.74Å; V14-V71 HydrophobicContact CG2-CG1 4.44Å; V14-V71 HydrophobicContact CG2-CG2 3.62Å; V14-G74 PolarHBondContact O-N 2.81Å; V14-C75 HydrophobicContact CG2-CB 4.19Å; V14-C75 PolarHBondContact N-O 3.27Å; V14-L77 HydrophobicContact CG2-CD1 4.09Å; V14-L77 HydrophobicContact CG2-CD2 3.73Å; V14-L77 HydrophobicContact CG2-CG 3.87Å
15	P	86.5	Confident	76.2	Confident	49 Å²	49	70.6 Å²	70.6	32%	0.318	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-59.5	147.2	179.9	-27	36.3	0	0	0	113.9	C13 N17 V18 I53	C13-P15 WeakPolarHBondContact O-CD 3.43Å; P15-N17 WeakPolarHBondContact CB-OD1 3.28Å; P15-N17 PolarHBondContact O-N 2.74Å; P15-V18 HydrophobicContact CB-CG2 4.27Å; P15-V18 WeakPolarHBondContact O-CB 3.44Å; P15-V18 VanDerWaalsContact O-CG2 3.31Å; P15-V18 WeakPolarHBondContact O-CG2 3.17Å; P15-V18 PolarHBondContact O-N 2.55Å; P15-V18 VanDerWaalsContact O-N 3.1Å; P15-I53 HydrophobicContact CG-CD1 4.23Å
16	D	84.4	Confident	79.2	Confident	141 Å²	141	67.1 Å²	67.1	75%	0.754	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.9	-175.2	-65.3	-38.8	0	0	0	114.5	V18	D16-V18 VanDerWaalsContact C-N 3.34Å
17	N	80.4	Confident	81.8	Confident	135 Å²	135	66.7 Å²	66.7	72%	0.722	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.2	173.7	68.8	-13.3	0	0	0	113.6	P15	P15-N17 WeakPolarHBondContact CB-OD1 3.28Å; P15-N17 PolarHBondContact O-N 2.74Å
18	V	76	Confident	83.6	Confident	5 Å²	5	64.4 Å²	64.4	3%	0.03	36%	0.36	C	S	.	.			trans	-68.5	138.4	172.9	178.9	0	0	0	0	109	V14 P15 D16 K22 I51 P73	V14-V18 HydrophobicContact CG1-CB 3.77Å; V14-V18 HydrophobicContact CG1-CG1 3.94Å; V14-V18 HydrophobicContact CG1-CG2 3.73Å; P15-V18 HydrophobicContact CB-CG2 4.27Å; P15-V18 WeakPolarHBondContact O-CB 3.44Å; P15-V18 VanDerWaalsContact O-CG2 3.31Å; P15-V18 WeakPolarHBondContact O-CG2 3.17Å; P15-V18 PolarHBondContact O-N 2.55Å; P15-V18 VanDerWaalsContact O-N 3.1Å; D16-V18 VanDerWaalsContact C-N 3.34Å; V18-K22 HydrophobicContact CG1-CD 4.42Å; V18-K22 HydrophobicContact CG1-CG 3.57Å; V18-I51 HydrophobicContact CG1-CD1 4.36Å; V18-I51 HydrophobicContact CG2-CD1 3.76Å; V18-P73 HydrophobicContact CB-CG 4.3Å; V18-P73 WeakPolarHBondContact O-CG 3.28Å
19	T	75.3	Confident	85	Confident	106 Å²	106	67 Å²	67	65%	0.65	36%	0.364	S	S	*	.			trans	-127.2	148.7	175.1	53.9	0	0	0	0	110.8
20	G	73.6	Confident	85.6	Confident	50 Å²	50	69.2 Å²	69.2	52%	0.515	37%	0.368	S	S	.	.	S	Bend	trans	79.1	175.2	-171.5	0	0	0	0	0	113.8
21	D	81.1	Confident	85.6	Confident	105 Å²	105	72.9 Å²	72.9	56%	0.561	38%	0.378	S	S	*	.			trans	-76.4	127.5	169.1	-71.5	-28.8	0	0	0	108.7	T70 V72	D21-T70 HydrophobicContact CB-CG2 3.73Å; D21-V72 VanDerWaalsContact OD1-CG1 3.28Å; D21-V72 WeakPolarHBondContact OD1-CG1 3.5Å
22	K	84.9	Confident	85.4	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.009	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.7	173.8	-67.5	-74.4	177.6	178.4	0	110.8	V18 L43 V44 D45 S48 G49 T70 V71	V18-K22 HydrophobicContact CG1-CD 4.42Å; V18-K22 HydrophobicContact CG1-CG 3.57Å; K22-L43 HydrophobicContact CB-CB 4.06Å; K22-L43 HydrophobicContact CD-CB 4.38Å; K22-L43 HydrophobicContact CG-CB 4.23Å; K22-V44 CarbonylContact C-O 3.52Å; K22-V44 WeakPolarHBondContact CA-O 3.32Å; K22-D45 HydrophobicContact CD-CB 3.69Å; K22-S48 PolarHBondContact NZ-OG 3.43Å; K22-G49 PolarHBondContact NZ-O 3.13Å; K22-T70 CarbonylContact O-C 3.11Å; K22-T70 VanDerWaalsContact O-CA 3.31Å; K22-T70 WeakPolarHBondContact O-CA 3.38Å; K22-V71 HydrophobicContact CB-CG2 4.04Å; K22-V71 PolarHBondContact N-O 3.26Å; K22-V71 WeakPolarHBondContact O-CG2 3.46Å; K22-V71 PolarHBondContact O-N 3.47Å
23	V	88.7	Confident	85.2	Confident	64 Å²	64	74.2 Å²	74.2	39%	0.388	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.5	172.2	-179.8	0	0	0	0	109.1	L43 V44	V23-L43 WeakPolarHBondContact O-CA 3.41Å; V23-V44 PolarHBondContact N-O 2.98Å; V23-V44 PolarHBondContact O-N 3.28Å
24	V	91.5	Very high	85	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.5	176	-175.2	0	0	0	0	110.6	W26 C41 L43 G68 A69 V71 L77	V24-W26 HydrophobicContact CG1-CD2 4.07Å; V24-W26 HydrophobicContact CG1-CG 4.48Å; V24-W26 HydrophobicContact CG1-CH2 4.38Å; V24-W26 HydrophobicContact CG1-CZ2 3.78Å; V24-C41 HydrophobicContact CG1-CB 4.1Å; V24-L43 HydrophobicContact CB-CD2 4.44Å; V24-L43 HydrophobicContact CG2-CD2 3.86Å; V24-G68 WeakPolarHBondContact O-CA 3.3Å; V24-G68 PolarHBondContact O-N 3.49Å; V24-A69 PolarHBondContact N-O 3.35Å; V24-A69 VanDerWaalsContact N-O 3.12Å; V24-V71 HydrophobicContact CG2-CB 4.34Å; V24-V71 HydrophobicContact CG2-CG1 3.63Å; V24-V71 HydrophobicContact CG2-CG2 3.71Å; V24-L77 HydrophobicContact CG2-CD2 3.57Å
25	H	91.7	Very high	85	Confident	98 Å²	98	74.6 Å²	74.6	45%	0.454	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111.6	169.7	180	-63.7	0	0	0	110.2	C41 E42 E67	H25-C41 CarbonylContact O-C 3.6Å; H25-C41 VanDerWaalsContact O-CA 3.23Å; H25-C41 WeakPolarHBondContact O-CA 3.45Å; H25-C41 VanDerWaalsContact O-CB 3.3Å; H25-C41 WeakPolarHBondContact O-CB 3.46Å; H25-E42 PolarHBondContact N-O 3.41Å; H25-E42 PolarHBondContact O-N 3.38Å; H25-E67 WeakPolarHBondContact CA-OE1 3.41Å; H25-E67 IonicContact CD2-OE1 3.23Å; H25-E67 IonicContact CG-OE1 3.73Å
26	W	92.9	Very high	84.9	Confident	28 Å²	28	75.2 Å²	75.2	11%	0.106	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.6	-176.3	-62.5	106.1	0	0	0	112.8	V24 I40 C41 M64 K65 E67 L77 F78	V24-W26 HydrophobicContact CG1-CD2 4.07Å; V24-W26 HydrophobicContact CG1-CG 4.48Å; V24-W26 HydrophobicContact CG1-CH2 4.38Å; V24-W26 HydrophobicContact CG1-CZ2 3.78Å; W26-I40 HydrophobicContact CE3-CG2 3.83Å; W26-I40 HydrophobicContact CZ3-CG2 3.52Å; W26-C41 HydrophobicContact CD2-CB 4.13Å; W26-C41 HydrophobicContact CE3-CB 3.62Å; W26-C41 HydrophobicContact CZ3-CB 4.01Å; W26-M64 HydrophobicContact CB-CE 4.2Å; W26-M64 HydrophobicContact CD2-CE 3.36Å; W26-M64 HydrophobicContact CE3-CE 3.47Å; W26-M64 VanDerWaalsContact CE3-CE 3.47Å; W26-M64 HydrophobicContact CE3-CG 4.4Å; W26-M64 HydrophobicContact CG-CE 3.66Å; W26-M64 HydrophobicContact CH2-CB 3.93Å; W26-M64 HydrophobicContact CH2-CG 3.89Å; W26-M64 HydrophobicContact CZ2-CB 3.65Å; W26-M64 HydrophobicContact CZ2-CE 4.42Å; W26-M64 HydrophobicContact CZ2-CG 4.08Å; W26-M64 HydrophobicContact CZ3-CB 4.49Å; W26-M64 HydrophobicContact CZ3-CE 4.06Å; W26-M64 HydrophobicContact CZ3-CG 4.03Å; W26-K65 HydrophobicContact CZ2-CB 4.05Å; W26-K65 WeakPolarHBondContact CZ2-O 3.48Å; W26-K65 PolarHBondContact NE1-O 3.19Å; W26-E67 PolarHBondContact N-OE2 2.82Å; W26-L77 HydrophobicContact CH2-CB 4.2Å; W26-L77 VanDerWaalsContact CH2-O 3.3Å; W26-L77 WeakPolarHBondContact CH2-O 3.07Å; W26-F78 HydrophobicContact CH2-CB 3.97Å; W26-F78 AromaticContact CH2-CD1 3.9Å; W26-F78 HydrophobicContact CH2-CD1 3.9Å; W26-F78 HydrophobicContact CH2-CG 4.38Å; W26-F78 HydrophobicContact CZ3-CB 4.32Å; W26-F78 AromaticContact CZ3-CD1 3.83Å; W26-F78 HydrophobicContact CZ3-CD1 3.83Å; W26-F78 HydrophobicContact CZ3-CG 4.39Å
27	K	92.3	Very high	84.9	Confident	90 Å²	90	71 Å²	71	39%	0.391	36%	0.361	S	S	.	.	S	Bend	trans	-108.1	-6.4	171.6	-77.8	167.3	168.3	172.7	0	112.9	S39 I40 E42 D52	K27-S39 WeakPolarHBondContact CD-OG 3.41Å; K27-S39 PolarHBondContact NZ-OG 3.25Å; K27-I40 PolarHBondContact N-O 3.32Å; K27-E42 HydrophobicContact CD-CG 4.41Å; K27-E42 WeakPolarHBondContact CE-OE1 3.3Å; K27-E42 IonicContact NZ-OE1 3.77Å; K27-E42 PolarHBondContact NZ-OE1 3.13Å; K27-D52 IonicContact NZ-OD1 2.81Å; K27-D52 PolarHBondContact NZ-OD1 3.48Å
28	I	89.7	Confident	85.3	Confident	11 Å²	11	66.2 Å²	66.2	6%	0.056	34%	0.337	C	S	.	.	S	Bend	trans	-134.4	168.8	-175.5	64.2	153.3	0	0	0	111.9	Q32 V34 V38 I40 V61 M64	I28-Q32 HydrophobicContact CB-CB 4.36Å; I28-Q32 HydrophobicContact CB-CG 4.48Å; I28-V34 HydrophobicContact CD1-CG1 3.99Å; I28-V38 HydrophobicContact CG2-CG1 4Å; I28-I40 HydrophobicContact CD1-CB 4.32Å; I28-I40 HydrophobicContact CD1-CG1 4.02Å; I28-I40 HydrophobicContact CD1-CG2 3.9Å; I28-I40 HydrophobicContact CG1-CB 4.44Å; I28-I40 HydrophobicContact CG1-CG2 4.05Å; I28-V61 HydrophobicContact CD1-CB 3.59Å; I28-V61 HydrophobicContact CD1-CG1 3.83Å; I28-V61 HydrophobicContact CD1-CG2 3.55Å; I28-M64 HydrophobicContact CG1-CE 4.42Å
29	H	86.3	Confident	85.9	Confident	136 Å²	136	67 Å²	67	63%	0.63	34%	0.343	S	S	*	.			trans	-99.5	158.2	177.3	-57.8	75.4	0	0	0	112	R31 Q32	H29-R31 PolarHBondContact O-N 3.12Å; H29-Q32 HydrophobicContact CB-CB 4.47Å; H29-Q32 PolarHBondContact ND1-OE1 3.04Å; H29-Q32 WeakPolarHBondContact O-CB 3.44Å; H29-Q32 PolarHBondContact O-N 3.08Å
30	R	82.9	Confident	86.7	Confident	181 Å²	181	61.9 Å²	61.9	68%	0.683	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	129.7	174.3	179.8	179	163.4	-175	-7.6	110.4	Q32 M64	R30-Q32 VanDerWaalsContact C-N 3.31Å; R30-M64 WeakPolarHBondContact CA-SD 3.25Å; R30-M64 HydrophobicContact CB-SD 3.73Å; R30-M64 HydrophobicContact CG-SD 4.4Å
31	R	81.6	Confident	87.6	Confident	175 Å²	175	59.5 Å²	59.5	66%	0.66	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	26.3	-169.3	-49.5	176	81.6	159.9	3.8	113.9	H29 W60 V61	H29-R31 PolarHBondContact O-N 3.12Å; R31-W60 VanDerWaalsContact O-CE3 3.24Å; R31-W60 VanDerWaalsContact O-CZ3 3.26Å; R31-W60 WeakPolarHBondContact O-CZ3 3.16Å; R31-V61 VanDerWaalsContact CA-O 3.29Å; R31-V61 WeakPolarHBondContact CA-O 3.26Å; R31-V61 PolarHBondContact N-O 2.88Å
32	Q	84.1	Confident	88.1	Confident	70 Å²	70	56.1 Å²	56.1	33%	0.327	27%	0.268	S	S	.	.			trans	-75.6	138	164.9	-172.5	170.1	-28.5	0	0	110.2	I28 H29 R30 V61	I28-Q32 HydrophobicContact CB-CB 4.36Å; I28-Q32 HydrophobicContact CB-CG 4.48Å; H29-Q32 HydrophobicContact CB-CB 4.47Å; H29-Q32 PolarHBondContact ND1-OE1 3.04Å; H29-Q32 WeakPolarHBondContact O-CB 3.44Å; H29-Q32 PolarHBondContact O-N 3.08Å; R30-Q32 VanDerWaalsContact C-N 3.31Å; Q32-V61 PolarHBondContact O-N 2.97Å
33	L	85.3	Confident	88.3	Confident	66 Å²	66	56 Å²	56	35%	0.346	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	136.8	168.5	178.4	73.1	0	0	0	109.9	W60 C96	L33-W60 HydrophobicContact CB-CE3 4.35Å; L33-W60 HydrophobicContact CB-CH2 4.35Å; L33-W60 HydrophobicContact CB-CZ3 4.22Å; L33-W60 HydrophobicContact CD1-CD2 4.4Å; L33-W60 HydrophobicContact CD1-CZ2 4.24Å; L33-C96 HydrophobicContact CD1-CB 3.74Å
34	V	87.9	Confident	88.2	Confident	4 Å²	4	55 Å²	55	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.8	-179.5	-62.2	0	0	0	0	112.1	I28 V38 I40 A55 Y58 G59 V61 F80	I28-V34 HydrophobicContact CD1-CG1 3.99Å; V34-V38 HydrophobicContact CB-CB 4.31Å; V34-V38 HydrophobicContact CB-CG1 4.37Å; V34-V38 HydrophobicContact CG1-CB 4.49Å; V34-V38 HydrophobicContact CG1-CG1 4.02Å; V34-I40 HydrophobicContact CG1-CG1 4.32Å; V34-I40 HydrophobicContact CG2-CD1 4.46Å; V34-A55 HydrophobicContact CB-CB 3.86Å; V34-A55 HydrophobicContact CG2-CB 3.56Å; V34-Y58 WeakPolarHBondContact O-CA 3.44Å; V34-G59 WeakPolarHBondContact CG2-O 3.39Å; V34-G59 PolarHBondContact N-O 2.97Å; V34-G59 PolarHBondContact O-N 2.8Å; V34-V61 HydrophobicContact CG1-CG2 4Å; V34-V61 HydrophobicContact CG2-CG2 3.87Å; V34-F80 HydrophobicContact CG2-CD2 4.49Å; V34-F80 HydrophobicContact CG2-CE2 3.95Å
35	N	87.8	Confident	87.6	Confident	51 Å²	51	57.2 Å²	57.2	27%	0.273	27%	0.273	S	S	.	.			trans	-128.8	166.8	170.1	72	52.9	0	0	0	109.6	S37 V38 A55 Y58	N35-S37 PolarHBondContact O-N 3.01Å; N35-S37 WeakPolarHBondContact OD1-CB 3.28Å; N35-S37 PolarHBondContact OD1-N 3.18Å; N35-S37 PolarHBondContact OD1-OG 3.13Å; N35-V38 WeakPolarHBondContact O-CB 3.35Å; N35-V38 PolarHBondContact O-N 3.23Å; N35-A55 WeakPolarHBondContact O-CB 3.31Å; N35-Y58 HydrophobicContact CB-CD1 3.55Å; N35-Y58 HydrophobicContact CB-CE1 3.37Å; N35-Y58 HydrophobicContact CB-CG 4.27Å
36	P	85.3	Confident	86.4	Confident	61 Å²	61	60.9 Å²	60.9	40%	0.396	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22	-174.4	-28.2	36.5	0	0	0	116.3	V38 Y58	P36-V38 VanDerWaalsContact C-N 3.33Å; P36-Y58 HydrophobicContact CG-CD2 4.46Å; P36-Y58 HydrophobicContact CG-CE2 4.39Å
37	S	84.7	Confident	85.1	Confident	52 Å²	52	64 Å²	64	36%	0.364	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.9	177.3	83.2	0	0	0	0	113.9	N35 R838	N35-S37 PolarHBondContact O-N 3.01Å; N35-S37 WeakPolarHBondContact OD1-CB 3.28Å; N35-S37 PolarHBondContact OD1-N 3.18Å; N35-S37 PolarHBondContact OD1-OG 3.13Å; S37-R838 VanDerWaalsContact CB-NH2 3.28Å; S37-R838 PolarHBondContact O-NH2 3.26Å; S37-R838 PolarHBondContact OG-NH2 3.03Å
38	V	87.3	Confident	83.7	Confident	35 Å²	35	62.8 Å²	62.8	21%	0.212	33%	0.331	C	S	.	.			trans	-87.2	121.7	179.7	179.4	0	0	0	0	110.2	I28 V34 N35 P36 R54 A55	I28-V38 HydrophobicContact CG2-CG1 4Å; V34-V38 HydrophobicContact CB-CB 4.31Å; V34-V38 HydrophobicContact CB-CG1 4.37Å; V34-V38 HydrophobicContact CG1-CB 4.49Å; V34-V38 HydrophobicContact CG1-CG1 4.02Å; N35-V38 WeakPolarHBondContact O-CB 3.35Å; N35-V38 PolarHBondContact O-N 3.23Å; P36-V38 VanDerWaalsContact C-N 3.33Å; V38-R54 WeakPolarHBondContact O-CA 3.41Å; V38-A55 PolarHBondContact O-N 2.91Å; V38-A55 VanDerWaalsContact O-N 3.09Å
39	S	90.2	Very high	82.7	Confident	21 Å²	21	64.2 Å²	64.2	15%	0.147	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130	164.1	175.8	0	0	0	0	110.6	K27 D52	K27-S39 WeakPolarHBondContact CD-OG 3.41Å; K27-S39 PolarHBondContact NZ-OG 3.25Å; S39-D52 VanDerWaalsContact CB-OD1 3.26Å; S39-D52 WeakPolarHBondContact CB-OD1 3.48Å; S39-D52 WeakPolarHBondContact CB-OD2 3.37Å; S39-D52 VanDerWaalsContact OG-CG 3.24Å; S39-D52 PolarHBondContact OG-OD1 3.5Å; S39-D52 PolarHBondContact OG-OD2 2.96Å
40	I	91.8	Very high	82.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-44.8	-175.5	-72.6	173.6	0	0	0	111	W26 K27 I28 V34 I53 A55 V61 F78	W26-I40 HydrophobicContact CE3-CG2 3.83Å; W26-I40 HydrophobicContact CZ3-CG2 3.52Å; K27-I40 PolarHBondContact N-O 3.32Å; I28-I40 HydrophobicContact CD1-CB 4.32Å; I28-I40 HydrophobicContact CD1-CG1 4.02Å; I28-I40 HydrophobicContact CD1-CG2 3.9Å; I28-I40 HydrophobicContact CG1-CB 4.44Å; I28-I40 HydrophobicContact CG1-CG2 4.05Å; V34-I40 HydrophobicContact CG1-CG1 4.32Å; V34-I40 HydrophobicContact CG2-CD1 4.46Å; I40-I53 WeakPolarHBondContact CB-O 3.42Å; I40-I53 PolarHBondContact N-O 3.32Å; I40-A55 VanDerWaalsContact CD1-CA 3.5Å; I40-A55 HydrophobicContact CD1-CB 3.76Å; I40-A55 HydrophobicContact CG1-CB 4.39Å; I40-V61 HydrophobicContact CD1-CG2 3.67Å; I40-V61 HydrophobicContact CG1-CG2 4.25Å; I40-F78 HydrophobicContact CB-CE1 4.42Å; I40-F78 HydrophobicContact CD1-CE1 4.09Å; I40-F78 HydrophobicContact CD1-CE2 3.76Å; I40-F78 HydrophobicContact CD1-CZ 3.39Å; I40-F78 HydrophobicContact CG2-CD1 3.97Å; I40-F78 HydrophobicContact CG2-CE1 3.68Å; I40-F78 HydrophobicContact CG2-CZ 4.09Å
41	C	91.8	Very high	82.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	157.5	176.6	59.6	0	0	0	0	112.1	V24 H25 W26 I53	V24-C41 HydrophobicContact CG1-CB 4.1Å; H25-C41 CarbonylContact O-C 3.6Å; H25-C41 VanDerWaalsContact O-CA 3.23Å; H25-C41 WeakPolarHBondContact O-CA 3.45Å; H25-C41 VanDerWaalsContact O-CB 3.3Å; H25-C41 WeakPolarHBondContact O-CB 3.46Å; W26-C41 HydrophobicContact CD2-CB 4.13Å; W26-C41 HydrophobicContact CE3-CB 3.62Å; W26-C41 HydrophobicContact CZ3-CB 4.01Å; C41-I53 PolarHBondContact N-O 3.02Å; C41-I53 PolarHBondContact O-N 3.47Å
42	E	91	Very high	83.1	Confident	33 Å²	33	54.9 Å²	54.9	15%	0.154	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.6	164	-69.5	179.3	-173.6	0	0	109.5	H25 K27 V44 R50 I51	H25-E42 PolarHBondContact N-O 3.41Å; H25-E42 PolarHBondContact O-N 3.38Å; K27-E42 HydrophobicContact CD-CG 4.41Å; K27-E42 WeakPolarHBondContact CE-OE1 3.3Å; K27-E42 IonicContact NZ-OE1 3.77Å; K27-E42 PolarHBondContact NZ-OE1 3.13Å; E42-V44 HydrophobicContact CB-CG2 4.11Å; E42-R50 IonicContact OE1-NH1 3.97Å; E42-R50 WeakPolarHBondContact OE2-CD 3.42Å; E42-R50 IonicContact OE2-CZ 3.64Å; E42-R50 IonicContact OE2-NE 3.77Å; E42-R50 IonicContact OE2-NH1 2.74Å; E42-R50 PolarHBondContact OE2-NH1 2.82Å; E42-I51 WeakPolarHBondContact CA-O 3.42Å
43	L	90.4	Very high	83.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.5	166	-54.5	-177.7	0	0	0	108.5	V14 K22 V23 V24 R50 I51 I53 V71 L77	V14-L43 HydrophobicContact CG1-CD1 4.05Å; V14-L43 HydrophobicContact CG2-CD1 4.15Å; K22-L43 HydrophobicContact CB-CB 4.06Å; K22-L43 HydrophobicContact CD-CB 4.38Å; K22-L43 HydrophobicContact CG-CB 4.23Å; V23-L43 WeakPolarHBondContact O-CA 3.41Å; V24-L43 HydrophobicContact CB-CD2 4.44Å; V24-L43 HydrophobicContact CG2-CD2 3.86Å; L43-R50 WeakPolarHBondContact O-CA 3.46Å; L43-I51 HydrophobicContact CB-CB 4.28Å; L43-I51 PolarHBondContact N-O 2.99Å; L43-I51 PolarHBondContact O-N 3.33Å; L43-I53 HydrophobicContact CD1-CD1 3.98Å; L43-I53 HydrophobicContact CD1-CG1 4.03Å; L43-I53 HydrophobicContact CG-CD1 4.39Å; L43-I53 HydrophobicContact CG-CG1 3.94Å; L43-V71 HydrophobicContact CD2-CG2 4.17Å; L43-L77 HydrophobicContact CD1-CD1 4.37Å; L43-L77 HydrophobicContact CD2-CD1 4.23Å; L43-L77 HydrophobicContact CD2-CD2 3.93Å
44	V	86.2	Confident	83.7	Confident	44 Å²	44	56.2 Å²	56.2	27%	0.267	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.8	-171.5	-172.8	0	0	0	0	110.8	K22 V23 E42 R50	K22-V44 CarbonylContact C-O 3.52Å; K22-V44 WeakPolarHBondContact CA-O 3.32Å; V23-V44 PolarHBondContact N-O 2.98Å; V23-V44 PolarHBondContact O-N 3.28Å; E42-V44 HydrophobicContact CB-CG2 4.11Å; V44-R50 HydrophobicContact CG2-CG 4.25Å
45	D	77.7	Confident	83.7	Confident	45 Å²	45	56.4 Å²	56.4	24%	0.241	32%	0.316	C	S	.	.			trans	-142.7	149.6	164.5	149.7	57.7	0	0	0	108.5	K22 A47 S48	K22-D45 HydrophobicContact CD-CB 3.69Å; D45-A47 VanDerWaalsContact CG-N 3.35Å; D45-A47 PolarHBondContact O-N 2.89Å; D45-A47 PolarHBondContact OD1-N 3.31Å; D45-A47 PolarHBondContact OD2-N 3.35Å; D45-S48 VanDerWaalsContact OD2-CB 3.28Å; D45-S48 WeakPolarHBondContact OD2-CB 3.42Å; D45-S48 PolarHBondContact OD2-N 2.9Å; D45-S48 PolarHBondContact OD2-OG 3.4Å
46	D	67.2	Low	83.7	Confident	176 Å²	176	57.6 Å²	57.6	94%	0.941	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.4	-177.9	-67.8	-28.2	0	0	0	113.1
47	A	65.9	Low	83.7	Confident	93 Å²	93	55.5 Å²	55.5	77%	0.769	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-28.9	-174.1	0	0	0	0	0	115.7	D45	D45-A47 VanDerWaalsContact CG-N 3.35Å; D45-A47 PolarHBondContact O-N 2.89Å; D45-A47 PolarHBondContact OD1-N 3.31Å; D45-A47 PolarHBondContact OD2-N 3.35Å
48	S	62	Low	83.9	Confident	65 Å²	65	57.4 Å²	57.4	46%	0.455	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	17.7	-165	66.1	0	0	0	0	115.8	K22 D45	K22-S48 PolarHBondContact NZ-OG 3.43Å; D45-S48 VanDerWaalsContact OD2-CB 3.28Å; D45-S48 WeakPolarHBondContact OD2-CB 3.42Å; D45-S48 PolarHBondContact OD2-N 2.9Å; D45-S48 PolarHBondContact OD2-OG 3.4Å
49	G	69.7	Low	83.9	Confident	40 Å²	40	55.7 Å²	55.7	41%	0.412	31%	0.305	S	S	.	.			trans	78.5	179	169.4	0	0	0	0	0	115.7	K22	K22-G49 PolarHBondContact NZ-O 3.13Å
50	R	82.1	Confident	83.9	Confident	179 Å²	179	58.1 Å²	58.1	68%	0.675	31%	0.311	S	S	*	.			trans	-96.8	141.5	-173.6	-47	-163.2	-167.7	-175.8	3	111.7	E42 L43 V44	E42-R50 IonicContact OE1-NH1 3.97Å; E42-R50 WeakPolarHBondContact OE2-CD 3.42Å; E42-R50 IonicContact OE2-CZ 3.64Å; E42-R50 IonicContact OE2-NE 3.77Å; E42-R50 IonicContact OE2-NH1 2.74Å; E42-R50 PolarHBondContact OE2-NH1 2.82Å; L43-R50 WeakPolarHBondContact O-CA 3.46Å; V44-R50 HydrophobicContact CG2-CG 4.25Å
51	I	86.6	Confident	83.7	Confident	56 Å²	56	58.1 Å²	58.1	29%	0.287	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.3	176.6	-53.7	176.2	0	0	0	108.6	V18 E42 L43 I53	V18-I51 HydrophobicContact CG1-CD1 4.36Å; V18-I51 HydrophobicContact CG2-CD1 3.76Å; E42-I51 WeakPolarHBondContact CA-O 3.42Å; L43-I51 HydrophobicContact CB-CB 4.28Å; L43-I51 PolarHBondContact N-O 2.99Å; L43-I51 PolarHBondContact O-N 3.33Å; I51-I53 HydrophobicContact CG2-CD1 4.27Å
52	D	90.1	Very high	83.5	Confident	62 Å²	62	59.5 Å²	59.5	33%	0.332	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.1	-176.3	-165.9	63.6	0	0	0	110.5	K27 S39 R54	K27-D52 IonicContact NZ-OD1 2.81Å; K27-D52 PolarHBondContact NZ-OD1 3.48Å; S39-D52 VanDerWaalsContact CB-OD1 3.26Å; S39-D52 WeakPolarHBondContact CB-OD1 3.48Å; S39-D52 WeakPolarHBondContact CB-OD2 3.37Å; S39-D52 VanDerWaalsContact OG-CG 3.24Å; S39-D52 PolarHBondContact OG-OD1 3.5Å; S39-D52 PolarHBondContact OG-OD2 2.96Å; D52-R54 WeakPolarHBondContact OD2-CG 3.43Å; D52-R54 IonicContact OD2-NE 3.37Å; D52-R54 PolarHBondContact OD2-NE 2.89Å
53	I	90.8	Very high	83.2	Confident	16 Å²	16	63.6 Å²	63.6	8%	0.082	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111.1	178	-54.9	-61.5	0	0	0	108.5	P15 I40 C41 L43 I51 L77 F78	P15-I53 HydrophobicContact CG-CD1 4.23Å; I40-I53 WeakPolarHBondContact CB-O 3.42Å; I40-I53 PolarHBondContact N-O 3.32Å; C41-I53 PolarHBondContact N-O 3.02Å; C41-I53 PolarHBondContact O-N 3.47Å; L43-I53 HydrophobicContact CD1-CD1 3.98Å; L43-I53 HydrophobicContact CD1-CG1 4.03Å; L43-I53 HydrophobicContact CG-CD1 4.39Å; L43-I53 HydrophobicContact CG-CG1 3.94Å; I51-I53 HydrophobicContact CG2-CD1 4.27Å; I53-L77 HydrophobicContact CG1-CD1 4.16Å; I53-L77 HydrophobicContact CG2-CD1 4.41Å; I53-F78 HydrophobicContact CG2-CE1 4.06Å
54	R	91.4	Very high	83.2	Confident	148 Å²	148	65.5 Å²	65.5	56%	0.558	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	167.5	178.4	-62.3	-172.8	-179.2	-176.9	3.1	112.6	V38 D52	V38-R54 WeakPolarHBondContact O-CA 3.41Å; D52-R54 WeakPolarHBondContact OD2-CG 3.43Å; D52-R54 IonicContact OD2-NE 3.37Å; D52-R54 PolarHBondContact OD2-NE 2.89Å
55	A	88.4	Confident	83.4	Confident	8 Å²	8	66.6 Å²	66.6	7%	0.066	35%	0.348	C	S	.	.			trans	-69.4	138.7	175.7	0	0	0	0	0	112.2	V34 N35 V38 I40 G57	V34-A55 HydrophobicContact CB-CB 3.86Å; V34-A55 HydrophobicContact CG2-CB 3.56Å; N35-A55 WeakPolarHBondContact O-CB 3.31Å; V38-A55 PolarHBondContact O-N 2.91Å; V38-A55 VanDerWaalsContact O-N 3.09Å; I40-A55 VanDerWaalsContact CD1-CA 3.5Å; I40-A55 HydrophobicContact CD1-CB 3.76Å; I40-A55 HydrophobicContact CG1-CB 4.39Å; A55-G57 PolarHBondContact O-N 2.92Å
56	P	86.5	Confident	84	Confident	76 Å²	76	70.6 Å²	70.6	49%	0.494	37%	0.369	S	S	.	.	S	Bend	trans	-77.4	-2.4	178.3	33.3	-37.3	0	0	0	113.9	V12 F80	V12-P56 HydrophobicContact CG2-CG 4.29Å; P56-F80 HydrophobicContact CG-CB 4.14Å; P56-F80 HydrophobicContact CG-CD1 3.58Å; P56-F80 HydrophobicContact CG-CD2 3.94Å; P56-F80 HydrophobicContact CG-CE1 3.85Å; P56-F80 HydrophobicContact CG-CE2 4.2Å; P56-F80 HydrophobicContact CG-CG 3.61Å; P56-F80 HydrophobicContact CG-CZ 4.16Å
57	G	86.4	Confident	85.1	Confident	17 Å²	17	67.4 Å²	67.4	18%	0.175	35%	0.348	C	S	.	.	S	Bend	trans	176.1	-173.8	-175.8	0	0	0	0	0	112.2	A55	A55-G57 PolarHBondContact O-N 2.92Å
58	Y	88.3	Confident	86.1	Confident	91 Å²	91	64.9 Å²	64.9	36%	0.357	33%	0.331	S	S	.	.	S	Bend	trans	-77.9	126.1	166	-71.7	-94.1	0	0	0	109.9	V34 N35 P36 C83 A98	V34-Y58 WeakPolarHBondContact O-CA 3.44Å; N35-Y58 HydrophobicContact CB-CD1 3.55Å; N35-Y58 HydrophobicContact CB-CE1 3.37Å; N35-Y58 HydrophobicContact CB-CG 4.27Å; P36-Y58 HydrophobicContact CG-CD2 4.46Å; P36-Y58 HydrophobicContact CG-CE2 4.39Å; Y58-C83 PolarHBondContact O-N 2.79Å; Y58-A98 HydrophobicContact CD1-CB 3.65Å; Y58-A98 HydrophobicContact CD2-CB 3.91Å; Y58-A98 HydrophobicContact CE1-CB 3.78Å; Y58-A98 HydrophobicContact CE2-CB 4.05Å; Y58-A98 HydrophobicContact CG-CB 3.72Å
59	G	87.8	Confident	87.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-160.5	-177.5	0	0	0	0	0	114.1	V34 L81	V34-G59 WeakPolarHBondContact CG2-O 3.39Å; V34-G59 PolarHBondContact N-O 2.97Å; V34-G59 PolarHBondContact O-N 2.8Å; G59-L81 CarbonylContact C-O 3.27Å; G59-L81 VanDerWaalsContact CA-O 3.29Å; G59-L81 WeakPolarHBondContact CA-O 3.39Å
60	W	89	Confident	88.3	Confident	72 Å²	72	64.7 Å²	64.7	27%	0.273	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136	-170	-60.3	85.2	0	0	0	111.9	R31 L33 L81	R31-W60 VanDerWaalsContact O-CE3 3.24Å; R31-W60 VanDerWaalsContact O-CZ3 3.26Å; R31-W60 WeakPolarHBondContact O-CZ3 3.16Å; L33-W60 HydrophobicContact CB-CE3 4.35Å; L33-W60 HydrophobicContact CB-CH2 4.35Å; L33-W60 HydrophobicContact CB-CZ3 4.22Å; L33-W60 HydrophobicContact CD1-CD2 4.4Å; L33-W60 HydrophobicContact CD1-CZ2 4.24Å; W60-L81 HydrophobicContact CB-CB 4.45Å; W60-L81 PolarHBondContact N-O 3.49Å; W60-L81 PolarHBondContact O-N 2.97Å
61	V	89	Confident	88.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.7	173.4	177.5	0	0	0	0	111	I28 R31 Q32 V34 I40 M64 F78	I28-V61 HydrophobicContact CD1-CB 3.59Å; I28-V61 HydrophobicContact CD1-CG1 3.83Å; I28-V61 HydrophobicContact CD1-CG2 3.55Å; R31-V61 VanDerWaalsContact CA-O 3.29Å; R31-V61 WeakPolarHBondContact CA-O 3.26Å; R31-V61 PolarHBondContact N-O 2.88Å; Q32-V61 PolarHBondContact O-N 2.97Å; V34-V61 HydrophobicContact CG1-CG2 4Å; V34-V61 HydrophobicContact CG2-CG2 3.87Å; I40-V61 HydrophobicContact CD1-CG2 3.67Å; I40-V61 HydrophobicContact CG1-CG2 4.25Å; V61-M64 HydrophobicContact CG1-CG 3.71Å; V61-M64 HydrophobicContact CG1-SD 3.96Å; V61-F78 HydrophobicContact CB-CD2 4.39Å; V61-F78 HydrophobicContact CG1-CB 3.77Å; V61-F78 HydrophobicContact CG1-CD2 3.65Å; V61-F78 HydrophobicContact CG1-CE2 4.41Å; V61-F78 HydrophobicContact CG1-CG 3.81Å; V61-F78 HydrophobicContact CG2-CD2 4.1Å; V61-F78 HydrophobicContact CG2-CE2 4.08Å
62	T	87.2	Confident	88.7	Confident	28 Å²	28	56.8 Å²	56.8	17%	0.172	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	168.7	-177.2	75	0	0	0	0	111.2	M64 N79	T62-M64 PolarHBondContact O-N 3.37Å; T62-N79 WeakPolarHBondContact CA-O 3.35Å; T62-N79 PolarHBondContact N-O 3.32Å; T62-N79 PolarHBondContact O-N 3.5Å; T62-N79 WeakPolarHBondContact OG1-CB 3.46Å; T62-N79 PolarHBondContact OG1-O 2.92Å
63	K	84.9	Confident	88.6	Confident	119 Å²	119	56.4 Å²	56.4	52%	0.517	30%	0.297	S	S	.	.	S	Bend	trans	27.4	68.1	-177.2	-74.8	-154.7	171.2	-163.6	0	113.9	F78 N79 D1024	K63-F78 WeakPolarHBondContact O-CA 3.34Å; K63-N79 HydrophobicContact CB-CB 4.46Å; K63-D1024 IonicContact NZ-OD2 3.61Å; K63-D1024 PolarHBondContact NZ-OD2 3.48Å
64	M	89.9	Confident	88.3	Confident	40 Å²	40	57.6 Å²	57.6	20%	0.197	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-75.1	150.7	174.2	-68	150.7	74.8	0	0	111.4	W26 I28 R30 V61 T62 L77 F78	W26-M64 HydrophobicContact CB-CE 4.2Å; W26-M64 HydrophobicContact CD2-CE 3.36Å; W26-M64 HydrophobicContact CE3-CE 3.47Å; W26-M64 VanDerWaalsContact CE3-CE 3.47Å; W26-M64 HydrophobicContact CE3-CG 4.4Å; W26-M64 HydrophobicContact CG-CE 3.66Å; W26-M64 HydrophobicContact CH2-CB 3.93Å; W26-M64 HydrophobicContact CH2-CG 3.89Å; W26-M64 HydrophobicContact CZ2-CB 3.65Å; W26-M64 HydrophobicContact CZ2-CE 4.42Å; W26-M64 HydrophobicContact CZ2-CG 4.08Å; W26-M64 HydrophobicContact CZ3-CB 4.49Å; W26-M64 HydrophobicContact CZ3-CE 4.06Å; W26-M64 HydrophobicContact CZ3-CG 4.03Å; I28-M64 HydrophobicContact CG1-CE 4.42Å; R30-M64 WeakPolarHBondContact CA-SD 3.25Å; R30-M64 HydrophobicContact CB-SD 3.73Å; R30-M64 HydrophobicContact CG-SD 4.4Å; V61-M64 HydrophobicContact CG1-CG 3.71Å; V61-M64 HydrophobicContact CG1-SD 3.96Å; T62-M64 PolarHBondContact O-N 3.37Å; M64-L77 CarbonylContact C-O 3.49Å; M64-L77 WeakPolarHBondContact CA-O 3.23Å; M64-F78 HydrophobicContact CG-CB 3.95Å
65	K	90.1	Very high	88.2	Confident	68 Å²	68	52.2 Å²	52.2	30%	0.296	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.9	159.5	159.2	-96.2	-130.3	-175.1	-174.2	0	111.6	W26 A69 T70 V71 L77	W26-K65 HydrophobicContact CZ2-CB 4.05Å; W26-K65 WeakPolarHBondContact CZ2-O 3.48Å; W26-K65 PolarHBondContact NE1-O 3.19Å; K65-A69 HydrophobicContact CD-CB 3.74Å; K65-T70 PolarHBondContact NZ-O 3.45Å; K65-V71 HydrophobicContact CD-CG1 3.7Å; K65-L77 PolarHBondContact N-O 2.82Å
66	D	90.6	Very high	88.3	Confident	129 Å²	129	54.8 Å²	54.8	69%	0.69	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-64.5	149.1	173.8	-51.1	-69.9	0	0	0	112.4	A69	D66-A69 HydrophobicContact CB-CB 4.36Å; D66-A69 WeakPolarHBondContact O-CB 3.23Å; D66-A69 PolarHBondContact O-N 3.41Å
67	E	90.1	Very high	88.6	Confident	108 Å²	108	51.2 Å²	51.2	51%	0.505	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	135.9	171.4	178.7	59.6	-151.5	0	0	110.4	H25 W26 A69	H25-E67 WeakPolarHBondContact CA-OE1 3.41Å; H25-E67 IonicContact CD2-OE1 3.23Å; H25-E67 IonicContact CG-OE1 3.73Å; W26-E67 PolarHBondContact N-OE2 2.82Å; E67-A69 PolarHBondContact O-N 2.88Å
68	G	88	Confident	88.8	Confident	40 Å²	40	50.4 Å²	50.4	41%	0.412	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	5.8	-176.2	0	0	0	0	0	114.8	V24 T70	V24-G68 WeakPolarHBondContact O-CA 3.3Å; V24-G68 PolarHBondContact O-N 3.49Å; G68-T70 PolarHBondContact O-N 2.92Å
69	A	88.9	Confident	89	Confident	20 Å²	20	47.8 Å²	47.8	17%	0.165	27%	0.273	C	S	.	.			trans	-67.9	132.3	178.5	0	0	0	0	0	111.8	V24 K65 D66 E67	V24-A69 PolarHBondContact N-O 3.35Å; V24-A69 VanDerWaalsContact N-O 3.12Å; K65-A69 HydrophobicContact CD-CB 3.74Å; D66-A69 HydrophobicContact CB-CB 4.36Å; D66-A69 WeakPolarHBondContact O-CB 3.23Å; D66-A69 PolarHBondContact O-N 3.41Å; E67-A69 PolarHBondContact O-N 2.88Å
70	T	89	Confident	89.1	Confident	82 Å²	82	48 Å²	48	50%	0.503	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.2	169	-42.2	0	0	0	0	110.6	D21 K22 K65 G68	D21-T70 HydrophobicContact CB-CG2 3.73Å; K22-T70 CarbonylContact O-C 3.11Å; K22-T70 VanDerWaalsContact O-CA 3.31Å; K22-T70 WeakPolarHBondContact O-CA 3.38Å; K65-T70 PolarHBondContact NZ-O 3.45Å; G68-T70 PolarHBondContact O-N 2.92Å
71	V	89.4	Confident	89.1	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.4	179	-69.1	0	0	0	0	111.2	V14 K22 V24 L43 K65 C75 L77	V14-V71 HydrophobicContact CG2-CB 3.74Å; V14-V71 HydrophobicContact CG2-CG1 4.44Å; V14-V71 HydrophobicContact CG2-CG2 3.62Å; K22-V71 HydrophobicContact CB-CG2 4.04Å; K22-V71 PolarHBondContact N-O 3.26Å; K22-V71 WeakPolarHBondContact O-CG2 3.46Å; K22-V71 PolarHBondContact O-N 3.47Å; V24-V71 HydrophobicContact CG2-CB 4.34Å; V24-V71 HydrophobicContact CG2-CG1 3.63Å; V24-V71 HydrophobicContact CG2-CG2 3.71Å; L43-V71 HydrophobicContact CD2-CG2 4.17Å; K65-V71 HydrophobicContact CD-CG1 3.7Å; V71-C75 HydrophobicContact CB-CB 4.15Å; V71-C75 HydrophobicContact CG1-CB 4.22Å; V71-L77 HydrophobicContact CG1-CD2 4.05Å; V71-L77 HydrophobicContact CG2-CD2 4.31Å
72	V	87.4	Confident	89	Confident	66 Å²	66	48.9 Å²	48.9	40%	0.4	29%	0.286	S	S	.	.			trans	-116	164	172.4	-62.9	0	0	0	0	109.1	D21 C75	D21-V72 VanDerWaalsContact OD1-CG1 3.28Å; D21-V72 WeakPolarHBondContact OD1-CG1 3.5Å; V72-C75 WeakPolarHBondContact CG2-SG 3.42Å; V72-C75 WeakPolarHBondContact O-CB 3.19Å; V72-C75 PolarHBondContact O-N 2.85Å; V72-C75 VanDerWaalsContact O-N 3.09Å; V72-C75 PolarHBondContact O-SG 3.43Å
73	P	86.8	Confident	89	Confident	54 Å²	54	48.2 Å²	48.2	35%	0.351	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	143	175.7	-31.9	38.8	0	0	0	113.8	V18 C75	V18-P73 HydrophobicContact CB-CG 4.3Å; V18-P73 WeakPolarHBondContact O-CG 3.28Å; P73-C75 PolarHBondContact O-N 2.95Å
74	G	85.7	Confident	89.1	Confident	41 Å²	41	45.2 Å²	45.2	42%	0.423	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-6.2	-175.8	0	0	0	0	0	115.7	C13 V14 V76	C13-G74 PolarHBondContact SG-O 3.11Å; V14-G74 PolarHBondContact O-N 2.81Å; G74-V76 PolarHBondContact O-N 2.81Å
75	C	89.6	Confident	89	Confident	35 Å²	35	44.3 Å²	44.3	24%	0.236	27%	0.27	C	S	.	.			trans	-64.8	128	171.9	-77.2	0	0	0	0	111	C13 V14 V71 V72 P73 L77	C13-C75 CarbonylContact C-O 3.57Å; C13-C75 WeakPolarHBondContact CA-O 3.22Å; C13-C75 WeakPolarHBondContact CB-O 3.31Å; V14-C75 HydrophobicContact CG2-CB 4.19Å; V14-C75 PolarHBondContact N-O 3.27Å; V71-C75 HydrophobicContact CB-CB 4.15Å; V71-C75 HydrophobicContact CG1-CB 4.22Å; V72-C75 WeakPolarHBondContact CG2-SG 3.42Å; V72-C75 WeakPolarHBondContact O-CB 3.19Å; V72-C75 PolarHBondContact O-N 2.85Å; V72-C75 VanDerWaalsContact O-N 3.09Å; V72-C75 PolarHBondContact O-SG 3.43Å; P73-C75 PolarHBondContact O-N 2.95Å; C75-L77 PolarHBondContact O-N 2.88Å
76	V	90.6	Very high	88.8	Confident	62 Å²	62	43.7 Å²	43.7	38%	0.376	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	126.4	168.2	-173.3	0	0	0	0	109.4	P11 G74	P11-V76 HydrophobicContact CB-CG1 3.82Å; P11-V76 HydrophobicContact CB-CG2 3.94Å; G74-V76 PolarHBondContact O-N 2.81Å
77	L	92.1	Very high	88.6	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-50.2	173.1	-67.3	171	0	0	0	110.3	V12 V14 V24 W26 L43 I53 M64 K65 V71 C75	V12-L77 PolarHBondContact O-N 2.86Å; V14-L77 HydrophobicContact CG2-CD1 4.09Å; V14-L77 HydrophobicContact CG2-CD2 3.73Å; V14-L77 HydrophobicContact CG2-CG 3.87Å; V24-L77 HydrophobicContact CG2-CD2 3.57Å; W26-L77 HydrophobicContact CH2-CB 4.2Å; W26-L77 VanDerWaalsContact CH2-O 3.3Å; W26-L77 WeakPolarHBondContact CH2-O 3.07Å; L43-L77 HydrophobicContact CD1-CD1 4.37Å; L43-L77 HydrophobicContact CD2-CD1 4.23Å; L43-L77 HydrophobicContact CD2-CD2 3.93Å; I53-L77 HydrophobicContact CG1-CD1 4.16Å; I53-L77 HydrophobicContact CG2-CD1 4.41Å; M64-L77 CarbonylContact C-O 3.49Å; M64-L77 WeakPolarHBondContact CA-O 3.23Å; K65-L77 PolarHBondContact N-O 2.82Å; V71-L77 HydrophobicContact CG1-CD2 4.05Å; V71-L77 HydrophobicContact CG2-CD2 4.31Å; C75-L77 PolarHBondContact O-N 2.88Å
78	F	91.4	Very high	88.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	164.9	-179.7	61.3	-86.8	0	0	0	111.6	V12 W26 I40 I53 V61 K63 M64 F80	V12-F78 HydrophobicContact CB-CD1 4.22Å; V12-F78 HydrophobicContact CB-CD2 4.15Å; V12-F78 HydrophobicContact CB-CE1 3.8Å; V12-F78 HydrophobicContact CB-CE2 3.74Å; V12-F78 HydrophobicContact CB-CG 4.38Å; V12-F78 HydrophobicContact CB-CZ 3.55Å; V12-F78 HydrophobicContact CG1-CE1 3.71Å; V12-F78 HydrophobicContact CG1-CE2 4.28Å; V12-F78 HydrophobicContact CG1-CZ 3.58Å; V12-F78 HydrophobicContact CG2-CD2 4.14Å; V12-F78 HydrophobicContact CG2-CE1 4.43Å; V12-F78 HydrophobicContact CG2-CE2 3.52Å; V12-F78 HydrophobicContact CG2-CZ 3.68Å; V12-F78 PolarHBondContact N-O 2.84Å; V12-F78 PolarHBondContact O-N 2.94Å; W26-F78 HydrophobicContact CH2-CB 3.97Å; W26-F78 AromaticContact CH2-CD1 3.9Å; W26-F78 HydrophobicContact CH2-CD1 3.9Å; W26-F78 HydrophobicContact CH2-CG 4.38Å; W26-F78 HydrophobicContact CZ3-CB 4.32Å; W26-F78 AromaticContact CZ3-CD1 3.83Å; W26-F78 HydrophobicContact CZ3-CD1 3.83Å; W26-F78 HydrophobicContact CZ3-CG 4.39Å; I40-F78 HydrophobicContact CB-CE1 4.42Å; I40-F78 HydrophobicContact CD1-CE1 4.09Å; I40-F78 HydrophobicContact CD1-CE2 3.76Å; I40-F78 HydrophobicContact CD1-CZ 3.39Å; I40-F78 HydrophobicContact CG2-CD1 3.97Å; I40-F78 HydrophobicContact CG2-CE1 3.68Å; I40-F78 HydrophobicContact CG2-CZ 4.09Å; I53-F78 HydrophobicContact CG2-CE1 4.06Å; V61-F78 HydrophobicContact CB-CD2 4.39Å; V61-F78 HydrophobicContact CG1-CB 3.77Å; V61-F78 HydrophobicContact CG1-CD2 3.65Å; V61-F78 HydrophobicContact CG1-CE2 4.41Å; V61-F78 HydrophobicContact CG1-CG 3.81Å; V61-F78 HydrophobicContact CG2-CD2 4.1Å; V61-F78 HydrophobicContact CG2-CE2 4.08Å; K63-F78 WeakPolarHBondContact O-CA 3.34Å; M64-F78 HydrophobicContact CG-CB 3.95Å; F78-F80 HydrophobicContact CD2-CB 4.46Å; F78-F80 HydrophobicContact CE2-CB 4.13Å
79	N	91.2	Very high	88.1	Confident	35 Å²	35	33.1 Å²	33.1	19%	0.187	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.5	171	-76.2	-5.5	0	0	0	110.2	Q10 T62 K63	Q10-N79 CarbonylContact O-C 3.57Å; Q10-N79 WeakPolarHBondContact O-CA 3.24Å; T62-N79 WeakPolarHBondContact CA-O 3.35Å; T62-N79 PolarHBondContact N-O 3.32Å; T62-N79 PolarHBondContact O-N 3.5Å; T62-N79 WeakPolarHBondContact OG1-CB 3.46Å; T62-N79 PolarHBondContact OG1-O 2.92Å; K63-N79 HydrophobicContact CB-CB 4.46Å
80	F	89.7	Confident	87.7	Confident	6 Å²	6	36 Å²	36	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.7	172.3	-175.8	-111.4	0	0	0	111.1	K9 Q10 V12 V34 P56 F78 P82	K9-F80 CarbonylContact C-O 3.57Å; K9-F80 WeakPolarHBondContact CA-O 3.3Å; Q10-F80 PolarHBondContact N-O 2.54Å; Q10-F80 PolarHBondContact O-N 2.78Å; V12-F80 HydrophobicContact CG2-CB 4Å; V34-F80 HydrophobicContact CG2-CD2 4.49Å; V34-F80 HydrophobicContact CG2-CE2 3.95Å; P56-F80 HydrophobicContact CG-CB 4.14Å; P56-F80 HydrophobicContact CG-CD1 3.58Å; P56-F80 HydrophobicContact CG-CD2 3.94Å; P56-F80 HydrophobicContact CG-CE1 3.85Å; P56-F80 HydrophobicContact CG-CE2 4.2Å; P56-F80 HydrophobicContact CG-CG 3.61Å; P56-F80 HydrophobicContact CG-CZ 4.16Å; F78-F80 HydrophobicContact CD2-CB 4.46Å; F78-F80 HydrophobicContact CE2-CB 4.13Å; F80-P82 HydrophobicContact CE1-CB 3.82Å; F80-P82 HydrophobicContact CZ-CB 4.5Å
81	L	88.9	Confident	87.5	Confident	41 Å²	41	32.2 Å²	32.2	22%	0.215	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.1	169.8	179.9	66.8	0	0	0	107.9	K9 G59 W60	K9-L81 HydrophobicContact CG-CD1 4.21Å; G59-L81 CarbonylContact C-O 3.27Å; G59-L81 VanDerWaalsContact CA-O 3.29Å; G59-L81 WeakPolarHBondContact CA-O 3.39Å; W60-L81 HydrophobicContact CB-CB 4.45Å; W60-L81 PolarHBondContact N-O 3.49Å; W60-L81 PolarHBondContact O-N 2.97Å
82	P	87.7	Confident	87.3	Confident	48 Å²	48	32.7 Å²	32.7	31%	0.312	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	151.5	178.8	26	-34.3	0	0	0	111.5	F80	F80-P82 HydrophobicContact CE1-CB 3.82Å; F80-P82 HydrophobicContact CZ-CB 4.5Å
83	C	87.2	Confident	87.4	Confident	15 Å²	15	29.6 Å²	29.6	10%	0.101	17%	0.174	C	C	.	.			trans	-68.8	138.7	170	-166.7	0	0	0	0	110.9	Y58 H85 C96	Y58-C83 PolarHBondContact O-N 2.79Å; C83-H85 PolarHBondContact SG-N 3.26Å; C83-C96 HydrophobicContact CB-CB 3.99Å
84	T	86.3	Confident	87.3	Confident	56 Å²	56	28.6 Å²	28.6	34%	0.344	17%	0.17	S	C	.	.			trans	-98.4	-7.4	177.6	35.8	0	0	0	0	113.1	H86 S115	T84-H86 PolarHBondContact O-N 3.44Å; T84-H86 PolarHBondContact OG1-CD2 3.43Å; T84-H86 PolarHBondContact OG1-CE1 2.92Å; T84-H86 PolarHBondContact OG1-NE2 3.44Å; T84-S115 WeakPolarHBondContact O-CB 3.01Å; T84-S115 PolarHBondContact O-N 2.9Å; T84-S115 PolarHBondContact O-OG 2.85Å
85	H	87.6	Confident	87.2	Confident	21 Å²	21	29.6 Å²	29.6	10%	0.097	16%	0.164	C	C	.	.			trans	53.7	54.6	177.4	-47.4	-69.2	0	0	0	112.3	C83 V87 V88 C93 E95 C96 L100 A114 S115 A116	C83-H85 PolarHBondContact SG-N 3.26Å; H85-V87 VanDerWaalsContact C-N 3.27Å; H85-V87 PolarHBondContact O-N 2.87Å; H85-V88 HydrophobicContact CB-CG2 4.05Å; H85-C93 HydrophobicContact CB-CB 4.39Å; H85-C93 WeakPolarHBondContact ND1-CB 3.31Å; H85-C93 PolarHBondContact ND1-SG 3.26Å; H85-E95 VanDerWaalsContact CA-OE2 3.28Å; H85-E95 WeakPolarHBondContact CA-OE2 3.12Å; H85-E95 PolarHBondContact N-OE2 3.41Å; H85-C96 PolarHBondContact CE1-SG 3.48Å; H85-L100 HydrophobicContact CB-CD1 4.02Å; H85-A114 HydrophobicContact CB-CB 3.96Å; H85-S115 PolarHBondContact O-OG 3.22Å; H85-A116 VanDerWaalsContact O-CB 3.24Å; H85-A116 WeakPolarHBondContact O-CB 3.09Å; H85-A116 PolarHBondContact O-N 2.89Å; H85-A116 VanDerWaalsContact O-N 3.11Å
86	H	86.6	Confident	87	Confident	55 Å²	55	28.4 Å²	28.4	26%	0.255	16%	0.156	S	C	.	.			trans	-71.1	-17.9	178.6	-64.6	-53.5	0	0	0	113.6	T84 E95 S115 V129 S130 V133	T84-H86 PolarHBondContact O-N 3.44Å; T84-H86 PolarHBondContact OG1-CD2 3.43Å; T84-H86 PolarHBondContact OG1-CE1 2.92Å; T84-H86 PolarHBondContact OG1-NE2 3.44Å; H86-E95 IonicContact CD2-OE1 2.91Å; H86-E95 PolarHBondContact CD2-OE1 2.82Å; H86-E95 IonicContact CG-OE1 3.67Å; H86-E95 PolarHBondContact N-OE2 2.64Å; H86-S115 WeakPolarHBondContact CA-OG 3.42Å; H86-S115 PolarHBondContact ND1-OG 2.85Å; H86-V129 CarbonylContact O-C 3.5Å; H86-V129 WeakPolarHBondContact O-CA 3.41Å; H86-V129 WeakPolarHBondContact O-CB 3.5Å; H86-S130 PolarHBondContact ND1-OG 3.2Å; H86-S130 VanDerWaalsContact ND1-OG 3.13Å; H86-S130 PolarHBondContact O-N 2.9Å; H86-V133 HydrophobicContact CB-CG2 4.01Å
87	V	86.8	Confident	86.7	Confident	24 Å²	24	28 Å²	28	15%	0.145	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.5	173.7	-175.4	0	0	0	0	109.5	H85 C93 A94 L127 V129	H85-V87 VanDerWaalsContact C-N 3.27Å; H85-V87 PolarHBondContact O-N 2.87Å; V87-C93 PolarHBondContact O-SG 2.86Å; V87-A94 HydrophobicContact CB-CB 4.22Å; V87-A94 HydrophobicContact CG1-CB 3.89Å; V87-A94 PolarHBondContact O-N 3.38Å; V87-L127 HydrophobicContact CG1-CD1 3.84Å; V87-V129 HydrophobicContact CG1-CG1 4.41Å; V87-V129 HydrophobicContact CG2-CG1 4.21Å
88	V	84.2	Confident	86.4	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.7	-177	176.1	0	0	0	0	110.3	H85 L92 C93 L100 A114 A116 H128	H85-V88 HydrophobicContact CB-CG2 4.05Å; V88-L92 CarbonylContact C-O 3.58Å; V88-L92 VanDerWaalsContact CA-O 3.32Å; V88-L92 WeakPolarHBondContact CA-O 3.33Å; V88-C93 HydrophobicContact CG2-CB 4.39Å; V88-L100 HydrophobicContact CG1-CD1 4.25Å; V88-L100 HydrophobicContact CG2-CD1 3.69Å; V88-A114 HydrophobicContact CG2-CB 4.19Å; V88-A116 HydrophobicContact CB-CB 3.83Å; V88-A116 HydrophobicContact CG2-CB 3.67Å; V88-H128 PolarHBondContact N-O 2.86Å; V88-H128 PolarHBondContact O-N 3.28Å
89	M	83	Confident	86.1	Confident	30 Å²	30	32 Å²	32	15%	0.148	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.9	174.3	-170.9	-169.7	-65.6	0	0	109.3	D91 L92 L127	M89-D91 PolarHBondContact O-N 3Å; M89-L92 PolarHBondContact N-O 3.43Å; M89-L92 WeakPolarHBondContact O-CB 3.42Å; M89-L92 PolarHBondContact O-N 3.12Å; M89-L127 HydrophobicContact CB-CD1 4.23Å; M89-L127 HydrophobicContact CE-CB 4.21Å; M89-L127 HydrophobicContact CE-CD1 4Å; M89-L127 HydrophobicContact CE-CD2 4.12Å; M89-L127 HydrophobicContact CE-CG 4.33Å; M89-L127 HydrophobicContact CG-CB 4.48Å
90	K	80.9	Confident	85.9	Confident	80 Å²	80	30.5 Å²	30.5	35%	0.348	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	43	-176.8	-64.5	-178.5	177.1	177.8	0	113	L92 R101 E126	K90-L92 PolarHBondContact O-N 3.48Å; K90-L92 VanDerWaalsContact O-N 3.1Å; K90-R101 VanDerWaalsContact C-NH2 3.33Å; K90-R101 PolarHBondContact O-NH2 2.88Å; K90-E126 WeakPolarHBondContact CE-OE1 3.41Å; K90-E126 WeakPolarHBondContact CE-OE2 3.47Å; K90-E126 HydrophobicContact CG-CB 4.22Å; K90-E126 HydrophobicContact CG-CG 4.45Å; K90-E126 IonicContact NZ-OE2 3.75Å
91	D	83.7	Confident	85.6	Confident	4 Å²	4	32 Å²	32	2%	0.021	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	6.5	-174.6	-48.9	-53.4	0	0	0	115.9	M89 L100 R101 S107 G108 R110	M89-D91 PolarHBondContact O-N 3Å; D91-L100 WeakPolarHBondContact O-CA 3.44Å; D91-L100 WeakPolarHBondContact O-CB 3.43Å; D91-L100 VanDerWaalsContact O-CG 3.3Å; D91-L100 WeakPolarHBondContact O-CG 3.12Å; D91-L100 PolarHBondContact O-N 2.71Å; D91-R101 HydrophobicContact CB-CB 3.91Å; D91-R101 IonicContact OD2-CZ 2.69Å; D91-R101 IonicContact OD2-NE 3.85Å; D91-R101 PolarHBondContact OD2-NE 3.14Å; D91-R101 VanDerWaalsContact OD2-NE 3.11Å; D91-R101 IonicContact OD2-NH2 2.7Å; D91-R101 PolarHBondContact OD2-NH2 3.42Å; D91-S107 WeakPolarHBondContact OD2-CA 3.3Å; D91-S107 PolarHBondContact OD2-OG 2.89Å; D91-G108 PolarHBondContact OD2-N 3.46Å; D91-R110 IonicContact OD1-CZ 3.17Å; D91-R110 IonicContact OD1-NE 2.82Å; D91-R110 PolarHBondContact OD1-NE 2.52Å; D91-R110 IonicContact OD1-NH2 3.28Å
92	L	86.2	Confident	85.1	Confident	13 Å²	13	37.3 Å²	37.3	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132	169.9	-66.6	155	0	0	0	109.5	V88 M89 K90 N99 W1373 L1376 M1380	V88-L92 CarbonylContact C-O 3.58Å; V88-L92 VanDerWaalsContact CA-O 3.32Å; V88-L92 WeakPolarHBondContact CA-O 3.33Å; M89-L92 PolarHBondContact N-O 3.43Å; M89-L92 WeakPolarHBondContact O-CB 3.42Å; M89-L92 PolarHBondContact O-N 3.12Å; K90-L92 PolarHBondContact O-N 3.48Å; K90-L92 VanDerWaalsContact O-N 3.1Å; L92-N99 HydrophobicContact CD2-CB 3.86Å; L92-W1373 HydrophobicContact CD1-CE3 4.06Å; L92-W1373 HydrophobicContact CD1-CZ3 4.05Å; L92-L1376 HydrophobicContact CD1-CD2 3.83Å; L92-M1380 HydrophobicContact CB-CE 3.87Å; L92-M1380 HydrophobicContact CB-SD 4.23Å; L92-M1380 HydrophobicContact CD1-CE 3.96Å; L92-M1380 HydrophobicContact CG-CE 4.39Å
93	C	88.5	Confident	84.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.9	177.6	-180	0	0	0	0	112	H85 V87 V88 E95 C96 G97 A98 L100	H85-C93 HydrophobicContact CB-CB 4.39Å; H85-C93 WeakPolarHBondContact ND1-CB 3.31Å; H85-C93 PolarHBondContact ND1-SG 3.26Å; V87-C93 PolarHBondContact O-SG 2.86Å; V88-C93 HydrophobicContact CG2-CB 4.39Å; C93-E95 PolarHBondContact O-N 2.9Å; C93-E95 PolarHBondContact SG-N 3.02Å; C93-C96 PolarHBondContact O-N 2.77Å; C93-C96 VanDerWaalsContact SG-SG 3.63Å; C93-G97 WeakPolarHBondContact O-CA 3.33Å; C93-G97 PolarHBondContact O-N 2.79Å; C93-A98 HydrophobicContact CB-CB 4.45Å; C93-A98 PolarHBondContact N-O 2.69Å; C93-L100 HydrophobicContact CB-CD1 4.31Å; C93-L100 HydrophobicContact CB-CG 4.47Å
94	A	85.6	Confident	83.3	Confident	33 Å²	33	47.9 Å²	47.9	27%	0.273	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-2.9	-179.3	0	0	0	0	0	114.4	V87	V87-A94 HydrophobicContact CB-CB 4.22Å; V87-A94 HydrophobicContact CG1-CB 3.89Å; V87-A94 PolarHBondContact O-N 3.38Å
95	E	83.3	Confident	82.3	Confident	62 Å²	62	46 Å²	46	29%	0.29	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-24	176.8	-57.2	179.5	117.1	0	0	113.3	H85 H86 C93	H85-E95 VanDerWaalsContact CA-OE2 3.28Å; H85-E95 WeakPolarHBondContact CA-OE2 3.12Å; H85-E95 PolarHBondContact N-OE2 3.41Å; H86-E95 IonicContact CD2-OE1 2.91Å; H86-E95 PolarHBondContact CD2-OE1 2.82Å; H86-E95 IonicContact CG-OE1 3.67Å; H86-E95 PolarHBondContact N-OE2 2.64Å; C93-E95 PolarHBondContact O-N 2.9Å; C93-E95 PolarHBondContact SG-N 3.02Å
96	C	85.7	Confident	81.3	Confident	10 Å²	10	50.6 Å²	50.6	7%	0.068	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	-1.1	-172.5	69.4	0	0	0	0	115.8	L33 C83 H85 C93 A98	L33-C96 HydrophobicContact CD1-CB 3.74Å; C83-C96 HydrophobicContact CB-CB 3.99Å; H85-C96 PolarHBondContact CE1-SG 3.48Å; C93-C96 PolarHBondContact O-N 2.77Å; C93-C96 VanDerWaalsContact SG-SG 3.63Å; C96-A98 PolarHBondContact O-N 2.67Å; C96-A98 WeakPolarHBondContact SG-CB 3.3Å
97	G	84	Confident	80.2	Confident	53 Å²	53	51.4 Å²	51.4	55%	0.546	30%	0.297	S	S	.	.			trans	70.5	2.7	-178.1	0	0	0	0	0	115.1	C93 N99	C93-G97 WeakPolarHBondContact O-CA 3.33Å; C93-G97 PolarHBondContact O-N 2.79Å; G97-N99 PolarHBondContact O-N 2.6Å
98	A	85.1	Confident	79	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.017	31%	0.314	C	S	.	.			trans	-64.5	126.6	179.5	0	0	0	0	0	111.1	Y58 C93 C96 L100	Y58-A98 HydrophobicContact CD1-CB 3.65Å; Y58-A98 HydrophobicContact CD2-CB 3.91Å; Y58-A98 HydrophobicContact CE1-CB 3.78Å; Y58-A98 HydrophobicContact CE2-CB 4.05Å; Y58-A98 HydrophobicContact CG-CB 3.72Å; C93-A98 HydrophobicContact CB-CB 4.45Å; C93-A98 PolarHBondContact N-O 2.69Å; C96-A98 PolarHBondContact O-N 2.67Å; C96-A98 WeakPolarHBondContact SG-CB 3.3Å; A98-L100 HydrophobicContact CB-CD2 3.76Å; A98-L100 PolarHBondContact O-N 2.87Å
99	N	86.1	Confident	78.3	Confident	83 Å²	83	56.6 Å²	56.6	44%	0.444	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-74.3	118.5	160.8	-175.7	7.5	0	0	0	108.3	L92 G97 R101	L92-N99 HydrophobicContact CD2-CB 3.86Å; G97-N99 PolarHBondContact O-N 2.6Å; N99-R101 WeakPolarHBondContact OD1-CB 3.34Å; N99-R101 PolarHBondContact OD1-N 2.84Å; N99-R101 VanDerWaalsContact OD1-N 3.08Å
100	L	86.4	Confident	77.8	Confident	5 Å²	5	58 Å²	58	3%	0.026	34%	0.336	C	S	.	.			trans	-95	-11.3	-178.8	-48.4	-177	0	0	0	112	H85 V88 D91 C93 A98 R110 I111 A114	H85-L100 HydrophobicContact CB-CD1 4.02Å; V88-L100 HydrophobicContact CG1-CD1 4.25Å; V88-L100 HydrophobicContact CG2-CD1 3.69Å; D91-L100 WeakPolarHBondContact O-CA 3.44Å; D91-L100 WeakPolarHBondContact O-CB 3.43Å; D91-L100 VanDerWaalsContact O-CG 3.3Å; D91-L100 WeakPolarHBondContact O-CG 3.12Å; D91-L100 PolarHBondContact O-N 2.71Å; C93-L100 HydrophobicContact CB-CD1 4.31Å; C93-L100 HydrophobicContact CB-CG 4.47Å; A98-L100 HydrophobicContact CB-CD2 3.76Å; A98-L100 PolarHBondContact O-N 2.87Å; L100-R110 HydrophobicContact CB-CG 4.32Å; L100-R110 CarbonylContact O-C 3.55Å; L100-R110 WeakPolarHBondContact O-CA 3.45Å; L100-I111 PolarHBondContact O-N 2.8Å; L100-A114 HydrophobicContact CD1-CB 3.79Å
101	R	83.4	Confident	77.1	Confident	38 Å²	38	59.3 Å²	59.3	14%	0.143	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-68.4	140.6	177.9	-169.6	177.4	-61.2	116.8	10.8	110.6	K90 D91 N99 G105 S107 E109 I111	K90-R101 VanDerWaalsContact C-NH2 3.33Å; K90-R101 PolarHBondContact O-NH2 2.88Å; D91-R101 HydrophobicContact CB-CB 3.91Å; D91-R101 IonicContact OD2-CZ 2.69Å; D91-R101 IonicContact OD2-NE 3.85Å; D91-R101 PolarHBondContact OD2-NE 3.14Å; D91-R101 VanDerWaalsContact OD2-NE 3.11Å; D91-R101 IonicContact OD2-NH2 2.7Å; D91-R101 PolarHBondContact OD2-NH2 3.42Å; N99-R101 WeakPolarHBondContact OD1-CB 3.34Å; N99-R101 PolarHBondContact OD1-N 2.84Å; N99-R101 VanDerWaalsContact OD1-N 3.08Å; R101-G105 WeakPolarHBondContact CD-O 3.4Å; R101-S107 PolarHBondContact NH2-OG 3Å; R101-E109 WeakPolarHBondContact CA-O 3.26Å; R101-I111 VanDerWaalsContact O-CD1 3.31Å; R101-I111 WeakPolarHBondContact O-CD1 3.45Å
102	R	78.2	Confident	76.3	Confident	152 Å²	152	62 Å²	62	57%	0.574	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-61.4	141.6	171.3	-169.5	177.2	-65.1	-175	2.8	110.9	G104 G105 E109 I111	R102-G104 PolarHBondContact O-N 3.41Å; R102-G105 WeakPolarHBondContact O-CA 3.36Å; R102-G105 PolarHBondContact O-N 2.91Å; R102-E109 PolarHBondContact N-O 3.31Å; R102-I111 HydrophobicContact CB-CG1 4.08Å
103	E	70.1	Confident	75.4	Confident	194 Å²	194	69.7 Å²	69.7	91%	0.907	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	125.2	168.9	-167.7	161.9	-125.4	0	0	110.1	G105	E103-G105 PolarHBondContact O-N 2.88Å; E103-G105 VanDerWaalsContact O-N 3.16Å
104	G	67.4	Low	74.5	Confident	90 Å²	90	70.6 Å²	70.6	93%	0.928	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	-3.4	-171.1	0	0	0	0	0	116.6	R102	R102-G104 PolarHBondContact O-N 3.41Å
105	G	66.3	Low	74.2	Confident	18 Å²	18	71 Å²	71	19%	0.186	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-79.3	163.5	-178.3	0	0	0	0	0	114.3	R101 R102 E103 E109	R101-G105 WeakPolarHBondContact CD-O 3.4Å; R102-G105 WeakPolarHBondContact O-CA 3.36Å; R102-G105 PolarHBondContact O-N 2.91Å; E103-G105 PolarHBondContact O-N 2.88Å; E103-G105 VanDerWaalsContact O-N 3.16Å; G105-E109 WeakPolarHBondContact CA-OE2 3.35Å
106	I	65.6	Low	74	Confident	116 Å²	116	68.1 Å²	68.1	60%	0.595	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-83.4	164.5	176	62.6	170.9	0	0	0	112.1	G108 E109	I106-G108 PolarHBondContact O-N 2.66Å; I106-E109 HydrophobicContact CG1-CG 3.71Å; I106-E109 PolarHBondContact N-OE2 2.79Å; I106-E109 WeakPolarHBondContact O-CB 3.12Å; I106-E109 PolarHBondContact O-N 3.46Å
107	S	63.9	Low	73.7	Confident	72 Å²	72	71.5 Å²	71.5	50%	0.503	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	127.8	178.5	-162.8	0	0	0	0	111.2	D91 R101	D91-S107 WeakPolarHBondContact OD2-CA 3.3Å; D91-S107 PolarHBondContact OD2-OG 2.89Å; R101-S107 PolarHBondContact NH2-OG 3Å
108	G	62.4	Low	73.2	Confident	49 Å²	49	70.3 Å²	70.3	51%	0.505	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	-18.9	-170.7	0	0	0	0	0	115	D91 I106 R110	D91-G108 PolarHBondContact OD2-N 3.46Å; I106-G108 PolarHBondContact O-N 2.66Å; G108-R110 PolarHBondContact O-N 3.43Å
109	E	69	Low	72.7	Confident	85 Å²	85	71.3 Å²	71.3	40%	0.397	41%	0.409	S	S	.	.			trans	-78.5	84	174.5	-72.1	-173	137.5	0	0	111.2	R101 R102 G105 I106	R101-E109 WeakPolarHBondContact CA-O 3.26Å; R102-E109 PolarHBondContact N-O 3.31Å; G105-E109 WeakPolarHBondContact CA-OE2 3.35Å; I106-E109 HydrophobicContact CG1-CG 3.71Å; I106-E109 PolarHBondContact N-OE2 2.79Å; I106-E109 WeakPolarHBondContact O-CB 3.12Å; I106-E109 PolarHBondContact O-N 3.46Å
110	R	73	Confident	71.8	Confident	60 Å²	60	68.9 Å²	68.9	23%	0.226	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-81.7	141.4	-177.8	-61.3	179	-171.9	163	5.8	112.2	D91 L100 G108 T112 A116	D91-R110 IonicContact OD1-CZ 3.17Å; D91-R110 IonicContact OD1-NE 2.82Å; D91-R110 PolarHBondContact OD1-NE 2.52Å; D91-R110 IonicContact OD1-NH2 3.28Å; L100-R110 HydrophobicContact CB-CG 4.32Å; L100-R110 CarbonylContact O-C 3.55Å; L100-R110 WeakPolarHBondContact O-CA 3.45Å; G108-R110 PolarHBondContact O-N 3.43Å; R110-T112 VanDerWaalsContact C-N 3.34Å; R110-A116 PolarHBondContact NH1-O 3.32Å
111	I	65.7	Low	70.9	Confident	106 Å²	106	70.3 Å²	70.3	54%	0.544	41%	0.405	S	S	.	.	S	Bend	trans	-71.6	-33.3	173.5	-57.5	167.2	0	0	0	110.6	L100 R101 R102	L100-I111 PolarHBondContact O-N 2.8Å; R101-I111 VanDerWaalsContact O-CD1 3.31Å; R101-I111 WeakPolarHBondContact O-CD1 3.45Å; R102-I111 HydrophobicContact CB-CG1 4.08Å
112	T	66.9	Low	69.9	Low	62 Å²	62	70 Å²	70	38%	0.38	41%	0.405	S	S	.	.	S	Bend	trans	-127.3	146	-171.9	53.9	0	0	0	0	111.1	R110 A114	R110-T112 VanDerWaalsContact C-N 3.34Å; T112-A114 VanDerWaalsContact C-N 3.26Å; T112-A114 PolarHBondContact O-N 2.96Å
113	D	65.9	Low	68.9	Low	174 Å²	174	63.1 Å²	63.1	93%	0.93	38%	0.38	S	S	*	.			trans	-68.8	81.1	175.4	-64.3	-39.5	0	0	0	110.7	S115	D113-S115 PolarHBondContact O-N 2.9Å
114	A	70.8	Confident	68.8	Low	18 Å²	18	55 Å²	55	15%	0.149	34%	0.343	C	S	.	.			trans	-63.7	132.8	174.3	0	0	0	0	0	110.4	H85 V88 L100 T112 A116	H85-A114 HydrophobicContact CB-CB 3.96Å; V88-A114 HydrophobicContact CG2-CB 4.19Å; L100-A114 HydrophobicContact CD1-CB 3.79Å; T112-A114 VanDerWaalsContact C-N 3.26Å; T112-A114 PolarHBondContact O-N 2.96Å; A114-A116 PolarHBondContact O-N 3.23Å
115	S	80	Confident	68.7	Low	42 Å²	42	53.5 Å²	53.5	29%	0.294	32%	0.317	S	S	.	.	S	Bend	trans	-67.2	-16.3	176.2	64.9	0	0	0	0	113.3	T84 H85 H86 D113 S117 S130	T84-S115 WeakPolarHBondContact O-CB 3.01Å; T84-S115 PolarHBondContact O-N 2.9Å; T84-S115 PolarHBondContact O-OG 2.85Å; H85-S115 PolarHBondContact O-OG 3.22Å; H86-S115 WeakPolarHBondContact CA-OG 3.42Å; H86-S115 PolarHBondContact ND1-OG 2.85Å; D113-S115 PolarHBondContact O-N 2.9Å; S115-S117 PolarHBondContact O-N 3.18Å; S115-S130 VanDerWaalsContact O-CA 3.23Å; S115-S130 WeakPolarHBondContact O-CA 3.5Å; S115-S130 VanDerWaalsContact O-CB 3.27Å; S115-S130 WeakPolarHBondContact O-CB 3.26Å
116	A	79	Confident	69	Low	1 Å²	1	55.9 Å²	55.9	1%	0.008	32%	0.323	C	S	.	.			trans	-72.8	105.4	175.7	0	0	0	0	0	114.2	H85 V88 R110 A114 H128 V129	H85-A116 VanDerWaalsContact O-CB 3.24Å; H85-A116 WeakPolarHBondContact O-CB 3.09Å; H85-A116 PolarHBondContact O-N 2.89Å; H85-A116 VanDerWaalsContact O-N 3.11Å; V88-A116 HydrophobicContact CB-CB 3.83Å; V88-A116 HydrophobicContact CG2-CB 3.67Å; R110-A116 PolarHBondContact NH1-O 3.32Å; A114-A116 PolarHBondContact O-N 3.23Å; A116-H128 HydrophobicContact CB-CB 3.95Å; A116-V129 VanDerWaalsContact CA-C 3.49Å
117	S	79.3	Confident	69.6	Low	81 Å²	81	51.7 Å²	51.7	57%	0.566	30%	0.302	S	S	*	.			trans	-133.8	-11.1	-175.2	60.9	0	0	0	0	115.4	S115 V129	S115-S117 PolarHBondContact O-N 3.18Å; S117-V129 PolarHBondContact N-O 2.92Å
118	I	72.5	Confident	70.4	Confident	28 Å²	28	50.5 Å²	50.5	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.7	-177.4	-55.4	-173.2	0	0	0	110.3	M120 H128 V129 E131 A134	I118-M120 HydrophobicContact CG2-SD 4.19Å; I118-M120 PolarHBondContact O-N 3.13Å; I118-H128 CarbonylContact O-C 3.58Å; I118-H128 WeakPolarHBondContact O-CA 3.18Å; I118-V129 PolarHBondContact N-O 3.25Å; I118-V129 PolarHBondContact O-N 3.03Å; I118-E131 HydrophobicContact CD1-CB 4.1Å; I118-E131 HydrophobicContact CD1-CG 4.17Å; I118-A134 HydrophobicContact CB-CB 4.37Å; I118-A134 HydrophobicContact CD1-CB 3.94Å; I118-A134 HydrophobicContact CG2-CB 4.25Å
119	P	74.3	Confident	71.4	Confident	23 Å²	23	48.5 Å²	48.5	15%	0.149	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	116.8	175.1	30	-33.7	0	0	0	110.8	L127 F245	P119-L127 WeakPolarHBondContact CA-O 3.49Å; P119-F245 HydrophobicContact CG-CE1 3.93Å; P119-F245 HydrophobicContact CG-CZ 3.77Å
120	M	68	Low	72.1	Confident	33 Å²	33	44.7 Å²	44.7	16%	0.163	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-25.6	-172.1	-72.2	-58.8	-61.9	0	0	115.1	I118 L127 V129 A134 I137	I118-M120 HydrophobicContact CG2-SD 4.19Å; I118-M120 PolarHBondContact O-N 3.13Å; M120-L127 PolarHBondContact N-O 2.95Å; M120-V129 HydrophobicContact CB-CG1 4.43Å; M120-V129 HydrophobicContact CG-CB 4.04Å; M120-V129 HydrophobicContact CG-CG1 3.63Å; M120-V129 HydrophobicContact CG-CG2 3.24Å; M120-V129 HydrophobicContact SD-CG2 3.7Å; M120-A134 HydrophobicContact CE-CB 4.36Å; M120-A134 HydrophobicContact SD-CB 3.48Å; M120-A134 WeakPolarHBondContact SD-CB 3.45Å; M120-I137 HydrophobicContact CE-CB 3.86Å; M120-I137 HydrophobicContact CE-CD1 4.05Å; M120-I137 HydrophobicContact CE-CG2 3.68Å; M120-I137 HydrophobicContact CG-CD1 4.47Å
121	V	67.1	Low	72.7	Confident	35 Å²	35	47.8 Å²	47.8	21%	0.212	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.8	-173.8	178.9	0	0	0	0	108	A123 I124 L127 L1122	V121-A123 HydrophobicContact CG1-CB 4.21Å; V121-A123 PolarHBondContact O-N 2.82Å; V121-I124 HydrophobicContact CB-CB 4.29Å; V121-I124 HydrophobicContact CG1-CB 4.22Å; V121-I124 HydrophobicContact CG1-CD1 4.35Å; V121-I124 HydrophobicContact CG1-CG1 4.06Å; V121-I124 CarbonylContact O-C 3.56Å; V121-I124 WeakPolarHBondContact O-CA 3.5Å; V121-I124 PolarHBondContact O-N 3.48Å; V121-L127 HydrophobicContact CG2-CD2 4.01Å; V121-L1122 HydrophobicContact CG1-CD1 4.4Å
122	H	62.4	Low	73.6	Confident	31 Å²	31	46.7 Å²	46.7	14%	0.144	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.8	-176.4	-48.1	-42.3	0	0	0	112.7	I124 L239 E243 L257	H122-I124 VanDerWaalsContact C-N 3.28Å; H122-I124 PolarHBondContact O-N 3.33Å; H122-L239 HydrophobicContact CB-CB 4.17Å; H122-L239 HydrophobicContact CB-CD1 3.75Å; H122-E243 WeakPolarHBondContact O-CG 3.37Å; H122-L257 WeakPolarHBondContact CE1-CD2 3.48Å; H122-L257 VanDerWaalsContact NE2-CD2 3.27Å; H122-L257 WeakPolarHBondContact NE2-CD2 3.27Å
123	A	57.9	Low	74.4	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.8	175.4	0	0	0	0	0	114.1	V121 R217 E1126	V121-A123 HydrophobicContact CG1-CB 4.21Å; V121-A123 PolarHBondContact O-N 2.82Å; A123-R217 PolarHBondContact O-NH1 3.43Å; A123-R217 PolarHBondContact O-NH2 2.85Å; A123-E1126 VanDerWaalsContact CB-OE1 3.23Å; A123-E1126 WeakPolarHBondContact CB-OE1 3.44Å
124	I	68.1	Low	75.2	Confident	25 Å²	25	36.3 Å²	36.3	13%	0.128	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	72.3	-175.9	-47.3	177.2	0	0	0	109.2	V121 H122 E126 L127 L1122	V121-I124 HydrophobicContact CB-CB 4.29Å; V121-I124 HydrophobicContact CG1-CB 4.22Å; V121-I124 HydrophobicContact CG1-CD1 4.35Å; V121-I124 HydrophobicContact CG1-CG1 4.06Å; V121-I124 CarbonylContact O-C 3.56Å; V121-I124 WeakPolarHBondContact O-CA 3.5Å; V121-I124 PolarHBondContact O-N 3.48Å; H122-I124 VanDerWaalsContact C-N 3.28Å; H122-I124 PolarHBondContact O-N 3.33Å; I124-E126 PolarHBondContact O-N 2.69Å; I124-E126 VanDerWaalsContact O-N 3.08Å; I124-L127 HydrophobicContact CB-CB 4.36Å; I124-L127 HydrophobicContact CG2-CB 3.92Å; I124-L127 WeakPolarHBondContact O-CB 3.46Å; I124-L127 PolarHBondContact O-N 3.48Å; I124-L1122 HydrophobicContact CD1-CD1 4.49Å; I124-L1122 HydrophobicContact CD1-CD2 3.85Å
125	P	65.3	Low	75.9	Confident	58 Å²	58	38.5 Å²	38.5	38%	0.377	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	-15.5	-178.2	26.7	-35.6	0	0	0	113.6	L127 H128 E243	P125-L127 VanDerWaalsContact C-N 3.28Å; P125-L127 PolarHBondContact O-N 2.79Å; P125-H128 PolarHBondContact O-CE1 3.31Å; P125-E243 HydrophobicContact CG-CG 4.07Å
126	E	71.2	Confident	76.1	Confident	67 Å²	67	42.5 Å²	42.5	31%	0.313	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-18.3	173.9	-60.3	171.8	132.8	0	0	113.2	K90 I124 H128	K90-E126 WeakPolarHBondContact CE-OE1 3.41Å; K90-E126 WeakPolarHBondContact CE-OE2 3.47Å; K90-E126 HydrophobicContact CG-CB 4.22Å; K90-E126 HydrophobicContact CG-CG 4.45Å; K90-E126 IonicContact NZ-OE2 3.75Å; I124-E126 PolarHBondContact O-N 2.69Å; I124-E126 VanDerWaalsContact O-N 3.08Å; E126-H128 PolarHBondContact O-N 2.71Å; E126-H128 PolarHBondContact O-ND1 3.35Å
127	L	79.8	Confident	76.3	Confident	29 Å²	29	44.8 Å²	44.8	15%	0.152	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	95.5	178.5	176	56.1	0	0	0	110.7	V87 M89 P119 M120 V121 I124 P125	V87-L127 HydrophobicContact CG1-CD1 3.84Å; M89-L127 HydrophobicContact CB-CD1 4.23Å; M89-L127 HydrophobicContact CE-CB 4.21Å; M89-L127 HydrophobicContact CE-CD1 4Å; M89-L127 HydrophobicContact CE-CD2 4.12Å; M89-L127 HydrophobicContact CE-CG 4.33Å; M89-L127 HydrophobicContact CG-CB 4.48Å; P119-L127 WeakPolarHBondContact CA-O 3.49Å; M120-L127 PolarHBondContact N-O 2.95Å; V121-L127 HydrophobicContact CG2-CD2 4.01Å; I124-L127 HydrophobicContact CB-CB 4.36Å; I124-L127 HydrophobicContact CG2-CB 3.92Å; I124-L127 WeakPolarHBondContact O-CB 3.46Å; I124-L127 PolarHBondContact O-N 3.48Å; P125-L127 VanDerWaalsContact C-N 3.28Å; P125-L127 PolarHBondContact O-N 2.79Å
128	H	79.5	Confident	76.7	Confident	47 Å²	47	41.7 Å²	41.7	22%	0.218	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.5	178.2	-61.6	68.4	0	0	0	110.6	V88 A116 I118 P125 E126	V88-H128 PolarHBondContact N-O 2.86Å; V88-H128 PolarHBondContact O-N 3.28Å; A116-H128 HydrophobicContact CB-CB 3.95Å; I118-H128 CarbonylContact O-C 3.58Å; I118-H128 WeakPolarHBondContact O-CA 3.18Å; P125-H128 PolarHBondContact O-CE1 3.31Å; E126-H128 PolarHBondContact O-N 2.71Å; E126-H128 PolarHBondContact O-ND1 3.35Å
129	V	82.9	Confident	77.5	Confident	6 Å²	6	43.3 Å²	43.3	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	164.8	166.7	-44.1	0	0	0	0	111.7	H86 V87 A116 S117 I118 M120 V133 A134	H86-V129 CarbonylContact O-C 3.5Å; H86-V129 WeakPolarHBondContact O-CA 3.41Å; H86-V129 WeakPolarHBondContact O-CB 3.5Å; V87-V129 HydrophobicContact CG1-CG1 4.41Å; V87-V129 HydrophobicContact CG2-CG1 4.21Å; A116-V129 VanDerWaalsContact CA-C 3.49Å; S117-V129 PolarHBondContact N-O 2.92Å; I118-V129 PolarHBondContact N-O 3.25Å; I118-V129 PolarHBondContact O-N 3.03Å; M120-V129 HydrophobicContact CB-CG1 4.43Å; M120-V129 HydrophobicContact CG-CB 4.04Å; M120-V129 HydrophobicContact CG-CG1 3.63Å; M120-V129 HydrophobicContact CG-CG2 3.24Å; M120-V129 HydrophobicContact SD-CG2 3.7Å; V129-V133 HydrophobicContact CB-CB 4.07Å; V129-V133 HydrophobicContact CB-CG1 3.86Å; V129-V133 HydrophobicContact CG1-CG1 4.2Å; V129-V133 HydrophobicContact CG2-CB 4.04Å; V129-V133 HydrophobicContact CG2-CG1 3.98Å; V129-A134 HydrophobicContact CG2-CB 3.8Å
130	S	85.4	Confident	78.2	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.035	25%	0.248	C	C	.	.			trans	-75.8	156.4	175.3	65.1	0	0	0	0	112.5	H86 S115 T132 V133 A134	H86-S130 PolarHBondContact ND1-OG 3.2Å; H86-S130 VanDerWaalsContact ND1-OG 3.13Å; H86-S130 PolarHBondContact O-N 2.9Å; S115-S130 VanDerWaalsContact O-CA 3.23Å; S115-S130 WeakPolarHBondContact O-CA 3.5Å; S115-S130 VanDerWaalsContact O-CB 3.27Å; S115-S130 WeakPolarHBondContact O-CB 3.26Å; S130-T132 PolarHBondContact O-N 2.67Å; S130-T132 VanDerWaalsContact O-N 3.09Å; S130-T132 PolarHBondContact OG-OG1 2.9Å; S130-V133 PolarHBondContact O-N 2.89Å; S130-A134 PolarHBondContact O-N 2.93Å
131	E	84.3	Confident	79.1	Confident	126 Å²	126	48.1 Å²	48.1	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-52.8	-36.7	-178.1	-169.5	167	-139.2	0	0	112.8	I118 D135	I118-E131 HydrophobicContact CD1-CB 4.1Å; I118-E131 HydrophobicContact CD1-CG 4.17Å; E131-D135 WeakPolarHBondContact O-CB 3.18Å; E131-D135 PolarHBondContact O-N 3.25Å
132	T	84.4	Confident	80.3	Confident	83 Å²	83	48.4 Å²	48.4	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-47.6	173.8	51.3	0	0	0	0	113.5	S130 A134 D135 E136	S130-T132 PolarHBondContact O-N 2.67Å; S130-T132 VanDerWaalsContact O-N 3.09Å; S130-T132 PolarHBondContact OG-OG1 2.9Å; T132-A134 VanDerWaalsContact C-N 3.35Å; T132-D135 PolarHBondContact O-N 3.35Å; T132-E136 WeakPolarHBondContact O-CG 3.08Å; T132-E136 PolarHBondContact O-N 3.18Å
133	V	84.3	Confident	81.7	Confident	17 Å²	17	52.4 Å²	52.4	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-35.6	-179.6	173.4	0	0	0	0	110.7	H86 V129 S130 D135 E136 I137 M1111	H86-V133 HydrophobicContact CB-CG2 4.01Å; V129-V133 HydrophobicContact CB-CB 4.07Å; V129-V133 HydrophobicContact CB-CG1 3.86Å; V129-V133 HydrophobicContact CG1-CG1 4.2Å; V129-V133 HydrophobicContact CG2-CB 4.04Å; V129-V133 HydrophobicContact CG2-CG1 3.98Å; S130-V133 PolarHBondContact O-N 2.89Å; V133-D135 VanDerWaalsContact C-N 3.35Å; V133-E136 PolarHBondContact O-N 3.39Å; V133-I137 HydrophobicContact CG1-CD1 3.74Å; V133-I137 HydrophobicContact CG1-CG1 4.36Å; V133-I137 WeakPolarHBondContact O-CB 3.4Å; V133-I137 WeakPolarHBondContact O-CD1 3.5Å; V133-I137 VanDerWaalsContact O-CG1 3.24Å; V133-I137 WeakPolarHBondContact O-CG1 3.29Å; V133-I137 PolarHBondContact O-N 3.25Å; V133-M1111 HydrophobicContact CG1-CE 4.35Å
134	A	83.4	Confident	83.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-42.9	172.8	0	0	0	0	0	111.8	I118 M120 V129 S130 T132 A138	I118-A134 HydrophobicContact CB-CB 4.37Å; I118-A134 HydrophobicContact CD1-CB 3.94Å; I118-A134 HydrophobicContact CG2-CB 4.25Å; M120-A134 HydrophobicContact CE-CB 4.36Å; M120-A134 HydrophobicContact SD-CB 3.48Å; M120-A134 WeakPolarHBondContact SD-CB 3.45Å; V129-A134 HydrophobicContact CG2-CB 3.8Å; S130-A134 PolarHBondContact O-N 2.93Å; T132-A134 VanDerWaalsContact C-N 3.35Å; A134-A138 WeakPolarHBondContact O-CB 3.43Å; A134-A138 PolarHBondContact O-N 2.83Å
135	D	84.1	Confident	84.7	Confident	63 Å²	63	53.7 Å²	53.7	34%	0.337	28%	0.28	S	S	.	.	H	α-helix	trans	-69	-36.2	179.1	-124.4	-4.4	0	0	0	112.7	E131 T132 V133 L139 R260	E131-D135 WeakPolarHBondContact O-CB 3.18Å; E131-D135 PolarHBondContact O-N 3.25Å; T132-D135 PolarHBondContact O-N 3.35Å; V133-D135 VanDerWaalsContact C-N 3.35Å; D135-L139 VanDerWaalsContact O-CB 3.3Å; D135-L139 WeakPolarHBondContact O-CB 3.31Å; D135-L139 PolarHBondContact O-N 3.41Å; D135-R260 VanDerWaalsContact OD1-CG 3.26Å; D135-R260 WeakPolarHBondContact OD1-CG 3.49Å; D135-R260 IonicContact OD1-CZ 3.98Å; D135-R260 IonicContact OD1-NH1 2.75Å; D135-R260 PolarHBondContact OD1-NH1 3.16Å; D135-R260 IonicContact OD2-NH1 2.85Å; D135-R260 PolarHBondContact OD2-NH1 3.32Å
136	E	85.5	Confident	86.1	Confident	127 Å²	127	51.7 Å²	51.7	59%	0.593	27%	0.266	S	S	*	.	H	α-helix	trans	-66.7	-49.8	174.3	-75.2	172.5	-169	0	0	111.9	T132 V133 A138 L139 Q140	T132-E136 WeakPolarHBondContact O-CG 3.08Å; T132-E136 PolarHBondContact O-N 3.18Å; V133-E136 PolarHBondContact O-N 3.39Å; E136-A138 VanDerWaalsContact C-N 3.35Å; E136-A138 PolarHBondContact O-N 2.85Å; E136-L139 PolarHBondContact O-N 2.81Å; E136-Q140 PolarHBondContact O-N 3.21Å
137	I	83.7	Confident	87.3	Confident	48 Å²	48	52.6 Å²	52.6	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-46.4	176.6	-67.4	165.4	0	0	0	110.4	M120 V133 L139 Q140 D141 M1111	M120-I137 HydrophobicContact CE-CB 3.86Å; M120-I137 HydrophobicContact CE-CD1 4.05Å; M120-I137 HydrophobicContact CE-CG2 3.68Å; M120-I137 HydrophobicContact CG-CD1 4.47Å; V133-I137 HydrophobicContact CG1-CD1 3.74Å; V133-I137 HydrophobicContact CG1-CG1 4.36Å; V133-I137 WeakPolarHBondContact O-CB 3.4Å; V133-I137 WeakPolarHBondContact O-CD1 3.5Å; V133-I137 VanDerWaalsContact O-CG1 3.24Å; V133-I137 WeakPolarHBondContact O-CG1 3.29Å; V133-I137 PolarHBondContact O-N 3.25Å; I137-L139 VanDerWaalsContact C-N 3.31Å; I137-L139 PolarHBondContact O-N 3.31Å; I137-Q140 PolarHBondContact O-N 3.09Å; I137-D141 PolarHBondContact O-N 3.1Å; I137-M1111 HydrophobicContact CD1-CE 4.01Å; I137-M1111 HydrophobicContact CD1-SD 4.38Å; I137-M1111 HydrophobicContact CG1-CE 3.91Å
138	A	85.9	Confident	88.1	Confident	17 Å²	17	54 Å²	54	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-68.6	-27.7	179.9	0	0	0	0	0	113	A134 E136 Q142 P259 R260	A134-A138 WeakPolarHBondContact O-CB 3.43Å; A134-A138 PolarHBondContact O-N 2.83Å; E136-A138 VanDerWaalsContact C-N 3.35Å; E136-A138 PolarHBondContact O-N 2.85Å; A138-Q142 VanDerWaalsContact O-CB 3.28Å; A138-Q142 WeakPolarHBondContact O-CB 3.33Å; A138-Q142 PolarHBondContact O-N 3.09Å; A138-P259 HydrophobicContact CB-CG 3.62Å; A138-R260 HydrophobicContact CB-CG 3.8Å
139	L	89.6	Confident	88.9	Confident	62 Å²	62	56.9 Å²	56.9	33%	0.325	31%	0.31	S	S	.	.	H	α-helix	trans	-68.8	-42.8	170.8	179.4	60.9	0	0	0	110.9	D135 E136 I137 Q142 Q143 R260	D135-L139 VanDerWaalsContact O-CB 3.3Å; D135-L139 WeakPolarHBondContact O-CB 3.31Å; D135-L139 PolarHBondContact O-N 3.41Å; E136-L139 PolarHBondContact O-N 2.81Å; I137-L139 VanDerWaalsContact C-N 3.31Å; I137-L139 PolarHBondContact O-N 3.31Å; L139-Q142 PolarHBondContact O-N 2.84Å; L139-Q143 HydrophobicContact CD1-CG 4.45Å; L139-Q143 WeakPolarHBondContact O-CB 3.38Å; L139-Q143 VanDerWaalsContact O-CG 3.3Å; L139-Q143 WeakPolarHBondContact O-CG 3.37Å; L139-Q143 PolarHBondContact O-N 2.9Å; L139-R260 VanDerWaalsContact N-CD 3.33Å
140	Q	89.1	Confident	89.7	Confident	112 Å²	112	59.6 Å²	59.6	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-41.1	177.7	-173.2	178.2	-7.6	0	0	112.3	E136 I137 Q143 S144	E136-Q140 PolarHBondContact O-N 3.21Å; I137-Q140 PolarHBondContact O-N 3.09Å; Q140-Q143 PolarHBondContact O-N 2.99Å; Q140-S144 WeakPolarHBondContact O-CB 3.4Å; Q140-S144 PolarHBondContact O-N 3.28Å; Q140-S144 PolarHBondContact O-OG 2.71Å
141	D	87.3	Confident	90.3	Very high	45 Å²	45	59.4 Å²	59.4	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-44.8	174.8	-175.7	64.2	0	0	0	111.5	I137 Q143 S144 L145 Q208	I137-D141 PolarHBondContact O-N 3.1Å; D141-Q143 VanDerWaalsContact C-N 3.3Å; D141-Q143 PolarHBondContact O-N 2.99Å; D141-S144 PolarHBondContact O-N 3.38Å; D141-S144 VanDerWaalsContact O-N 3.08Å; D141-L145 WeakPolarHBondContact O-CB 3.45Å; D141-L145 WeakPolarHBondContact O-CG 3.12Å; D141-L145 PolarHBondContact O-N 2.96Å; D141-L145 VanDerWaalsContact OD2-CD1 3.27Å; D141-L145 WeakPolarHBondContact OD2-CD1 3.35Å; D141-Q208 PolarHBondContact OD1-NE2 3.19Å
142	Q	92	Very high	90.9	Very high	40 Å²	40	53.4 Å²	53.4	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-57.4	-42.1	175	-167.5	-159.9	-97	0	0	112	A138 L139 L146 L264	A138-Q142 VanDerWaalsContact O-CB 3.28Å; A138-Q142 WeakPolarHBondContact O-CB 3.33Å; A138-Q142 PolarHBondContact O-N 3.09Å; L139-Q142 PolarHBondContact O-N 2.84Å; Q142-L146 HydrophobicContact CG-CD1 4.3Å; Q142-L146 WeakPolarHBondContact O-CB 3.27Å; Q142-L146 VanDerWaalsContact O-CG 3.29Å; Q142-L146 WeakPolarHBondContact O-CG 3.34Å; Q142-L146 PolarHBondContact O-N 2.82Å; Q142-L146 VanDerWaalsContact O-N 3.14Å; Q142-L264 HydrophobicContact CB-CD1 4.45Å; Q142-L264 HydrophobicContact CG-CD1 3.72Å; Q142-L264 HydrophobicContact CG-CG 4.47Å
143	Q	92.7	Very high	91.6	Very high	115 Å²	115	49.5 Å²	49.5	54%	0.537	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-42.8	174.7	-73.8	175.9	2.9	0	0	112	L139 Q140 D141 L146 A147	L139-Q143 HydrophobicContact CD1-CG 4.45Å; L139-Q143 WeakPolarHBondContact O-CB 3.38Å; L139-Q143 VanDerWaalsContact O-CG 3.3Å; L139-Q143 WeakPolarHBondContact O-CG 3.37Å; L139-Q143 PolarHBondContact O-N 2.9Å; Q140-Q143 PolarHBondContact O-N 2.99Å; D141-Q143 VanDerWaalsContact C-N 3.3Å; D141-Q143 PolarHBondContact O-N 2.99Å; Q143-L146 PolarHBondContact O-N 3.08Å; Q143-A147 VanDerWaalsContact O-CB 3.3Å; Q143-A147 WeakPolarHBondContact O-CB 3.34Å; Q143-A147 PolarHBondContact O-N 2.7Å
144	S	92.9	Very high	92.2	Very high	52 Å²	52	48.8 Å²	48.8	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-43.1	179.8	-60	0	0	0	0	112.2	Q140 D141 A147 A148	Q140-S144 WeakPolarHBondContact O-CB 3.4Å; Q140-S144 PolarHBondContact O-N 3.28Å; Q140-S144 PolarHBondContact O-OG 2.71Å; D141-S144 PolarHBondContact O-N 3.38Å; D141-S144 VanDerWaalsContact O-N 3.08Å; S144-A147 PolarHBondContact O-N 3.3Å; S144-A148 VanDerWaalsContact O-CB 3.27Å; S144-A148 WeakPolarHBondContact O-CB 3.1Å; S144-A148 PolarHBondContact O-N 3.43Å
145	L	94.9	Very high	92.9	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-48.3	174.5	-73.6	168.2	0	0	0	111.7	D141 A148 R149 K150 V152 Q208 L264	D141-L145 WeakPolarHBondContact O-CB 3.45Å; D141-L145 WeakPolarHBondContact O-CG 3.12Å; D141-L145 PolarHBondContact O-N 2.96Å; D141-L145 VanDerWaalsContact OD2-CD1 3.27Å; D141-L145 WeakPolarHBondContact OD2-CD1 3.35Å; L145-A148 CarbonylContact O-C 3.57Å; L145-A148 PolarHBondContact O-N 3.4Å; L145-R149 PolarHBondContact O-N 3.43Å; L145-K150 HydrophobicContact CD2-CB 4.11Å; L145-K150 PolarHBondContact O-N 2.92Å; L145-V152 HydrophobicContact CD1-CG2 3.53Å; L145-V152 HydrophobicContact CD2-CG2 4.37Å; L145-Q208 HydrophobicContact CD2-CB 3.78Å; L145-Q208 HydrophobicContact CD2-CG 4.49Å; L145-L264 HydrophobicContact CB-CD1 3.9Å; L145-L264 HydrophobicContact CD1-CD1 3.88Å
146	L	95.8	Very high	93.5	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-41.5	178.4	-74.2	171.1	0	0	0	112.2	Q142 Q143 R149 L264 Y500 F501 Y504 L563	Q142-L146 HydrophobicContact CG-CD1 4.3Å; Q142-L146 WeakPolarHBondContact O-CB 3.27Å; Q142-L146 VanDerWaalsContact O-CG 3.29Å; Q142-L146 WeakPolarHBondContact O-CG 3.34Å; Q142-L146 PolarHBondContact O-N 2.82Å; Q142-L146 VanDerWaalsContact O-N 3.14Å; Q143-L146 PolarHBondContact O-N 3.08Å; L146-R149 PolarHBondContact O-N 3.19Å; L146-R149 VanDerWaalsContact O-N 3.07Å; L146-L264 HydrophobicContact CD2-CD2 3.72Å; L146-L264 HydrophobicContact CG-CD1 4.27Å; L146-L264 HydrophobicContact CG-CD2 4.21Å; L146-Y500 HydrophobicContact CD2-CE1 4.31Å; L146-F501 HydrophobicContact CD2-CE1 4.05Å; L146-F501 HydrophobicContact CD2-CZ 4.35Å; L146-Y504 HydrophobicContact CD1-CE2 3.9Å; L146-Y504 HydrophobicContact CD2-CD1 4.49Å; L146-Y504 HydrophobicContact CD2-CD2 3.96Å; L146-Y504 HydrophobicContact CD2-CE1 4.19Å; L146-Y504 HydrophobicContact CD2-CE2 3.64Å; L146-Y504 HydrophobicContact CD2-CG 4.38Å; L146-Y504 HydrophobicContact CG-CE2 4.3Å; L146-L563 HydrophobicContact CD1-CD1 4.02Å; L146-L563 HydrophobicContact CD1-CD2 4.37Å
147	A	95.6	Very high	94.1	Very high	86 Å²	86	40.4 Å²	40.4	71%	0.711	22%	0.222	S	C	*	.	H	α-helix	trans	-65.1	-39.1	175.7	0	0	0	0	0	112.4	Q143 S144 R149	Q143-A147 VanDerWaalsContact O-CB 3.3Å; Q143-A147 WeakPolarHBondContact O-CB 3.34Å; Q143-A147 PolarHBondContact O-N 2.7Å; S144-A147 PolarHBondContact O-N 3.3Å; A147-R149 PolarHBondContact O-N 3.48Å
148	A	96.2	Very high	94.7	Very high	60 Å²	60	38.3 Å²	38.3	50%	0.496	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.6	172.5	0	0	0	0	0	113.7	S144 L145 K150	S144-A148 VanDerWaalsContact O-CB 3.27Å; S144-A148 WeakPolarHBondContact O-CB 3.1Å; S144-A148 PolarHBondContact O-N 3.43Å; L145-A148 CarbonylContact O-C 3.57Å; L145-A148 PolarHBondContact O-N 3.4Å; A148-K150 VanDerWaalsContact C-N 3.26Å; A148-K150 HydrophobicContact CB-CG 4.16Å; A148-K150 PolarHBondContact O-N 3.32Å
149	R	97.9	Very high	95.1	Very high	107 Å²	107	37.6 Å²	37.6	40%	0.404	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	45.3	-170.3	-62.6	178.8	72.1	83.8	-13.8	112.8	L145 L146 A147 H497 F501 D505	L145-R149 PolarHBondContact O-N 3.43Å; L146-R149 PolarHBondContact O-N 3.19Å; L146-R149 VanDerWaalsContact O-N 3.07Å; A147-R149 PolarHBondContact O-N 3.48Å; R149-H497 PolarHBondContact O-CE1 3.28Å; R149-H497 PolarHBondContact O-NE2 3.35Å; R149-F501 VanDerWaalsContact CA-CZ 3.47Å; R149-F501 HydrophobicContact CB-CD1 4.27Å; R149-F501 HydrophobicContact CB-CE1 4.03Å; R149-F501 HydrophobicContact CB-CE2 4.48Å; R149-F501 HydrophobicContact CB-CZ 4.16Å; R149-F501 HydrophobicContact CG-CD1 4.25Å; R149-F501 HydrophobicContact CG-CE1 4.15Å; R149-F501 WeakPolarHBondContact O-CE2 3.35Å; R149-D505 IonicContact CZ-OD1 3.18Å; R149-D505 IonicContact CZ-OD2 2.59Å; R149-D505 IonicContact NH1-OD1 3.33Å; R149-D505 PolarHBondContact NH1-OD1 3.33Å; R149-D505 IonicContact NH1-OD2 3.87Å; R149-D505 IonicContact NH2-OD1 2.68Å; R149-D505 PolarHBondContact NH2-OD1 2.87Å; R149-D505 IonicContact NH2-OD2 3.43Å; R149-D505 PolarHBondContact NH2-OD2 3.09Å
150	K	98.2	Very high	95.4	Very high	63 Å²	63	34.8 Å²	34.8	27%	0.274	19%	0.191	S	C	.	.			trans	-111.8	152.9	175.1	-63	-162.8	-175.6	-167.3	0	112.7	L145 A148 S204 Q205 Y206	L145-K150 HydrophobicContact CD2-CB 4.11Å; L145-K150 PolarHBondContact O-N 2.92Å; A148-K150 VanDerWaalsContact C-N 3.26Å; A148-K150 HydrophobicContact CB-CG 4.16Å; A148-K150 PolarHBondContact O-N 3.32Å; K150-S204 PolarHBondContact NZ-O 3.37Å; K150-Q205 VanDerWaalsContact CE-O 3.28Å; K150-Q205 WeakPolarHBondContact CE-O 3.27Å; K150-Y206 VanDerWaalsContact CA-O 3.29Å; K150-Y206 WeakPolarHBondContact CA-O 3.34Å
151	L	98.3	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	175.6	165	-67.9	179.5	0	0	0	110	Y206 Y207 Q208 L264 H497 Y500 F501 V566	L151-Y206 PolarHBondContact N-O 2.9Å; L151-Y207 HydrophobicContact CB-CD1 3.56Å; L151-Y207 HydrophobicContact CB-CE1 3.47Å; L151-Y207 VanDerWaalsContact CB-CE1 3.47Å; L151-Y207 HydrophobicContact CD1-CE1 3.89Å; L151-Y207 HydrophobicContact CG-CE1 4.3Å; L151-Y207 CarbonylContact O-C 3.54Å; L151-Y207 VanDerWaalsContact O-CA 3.27Å; L151-Y207 WeakPolarHBondContact O-CA 3.32Å; L151-Q208 PolarHBondContact O-N 2.71Å; L151-L264 WeakPolarHBondContact CB-O 3.43Å; L151-L264 HydrophobicContact CD2-CB 4.16Å; L151-L264 HydrophobicContact CD2-CD2 3.93Å; L151-H497 HydrophobicContact CD1-CB 4.37Å; L151-Y500 HydrophobicContact CD1-CG 4.28Å; L151-Y500 HydrophobicContact CD2-CD1 3.7Å; L151-Y500 HydrophobicContact CD2-CD2 4.19Å; L151-Y500 HydrophobicContact CD2-CE1 3.95Å; L151-Y500 HydrophobicContact CD2-CE2 4.38Å; L151-Y500 HydrophobicContact CD2-CG 3.87Å; L151-F501 HydrophobicContact CD2-CE2 4.19Å; L151-F501 HydrophobicContact CG-CE2 4.06Å; L151-V566 HydrophobicContact CD1-CG2 3.91Å; L151-V566 HydrophobicContact CD2-CG2 3.92Å
152	V	97.4	Very high	96.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.7	169	-175.7	0	0	0	0	109.5	L145 L154 Q208 F258 L264 V265 C266	L145-V152 HydrophobicContact CD1-CG2 3.53Å; L145-V152 HydrophobicContact CD2-CG2 4.37Å; V152-L154 HydrophobicContact CG1-CD2 4.24Å; V152-Q208 WeakPolarHBondContact CA-O 3.48Å; V152-F258 HydrophobicContact CG1-CE1 4.14Å; V152-F258 HydrophobicContact CG1-CZ 3.79Å; V152-F258 HydrophobicContact CG2-CE1 4.28Å; V152-L264 PolarHBondContact N-O 3.2Å; V152-V265 HydrophobicContact CB-CG2 4.39Å; V152-C266 PolarHBondContact O-N 2.84Å
153	L	98.1	Very high	96.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.5	172.6	-174.7	64.2	0	0	0	110.1	V155 L203 Y207 Q208 M209 H210 C266 I268 L493	L153-V155 HydrophobicContact CD2-CG2 3.97Å; L153-V155 HydrophobicContact CG-CG2 3.8Å; L153-L203 HydrophobicContact CD2-CD1 4.16Å; L153-Y207 HydrophobicContact CB-CD1 3.65Å; L153-Y207 HydrophobicContact CB-CE1 4.38Å; L153-Y207 HydrophobicContact CB-CG 3.99Å; L153-Q208 PolarHBondContact N-O 3.13Å; L153-M209 HydrophobicContact CB-CG 4.27Å; L153-M209 HydrophobicContact CD2-CG 4.37Å; L153-M209 HydrophobicContact CD2-SD 4.45Å; L153-M209 WeakPolarHBondContact O-CA 3.49Å; L153-H210 PolarHBondContact O-N 3.15Å; L153-C266 WeakPolarHBondContact CA-O 3.43Å; L153-C266 HydrophobicContact CD1-CB 3.93Å; L153-I268 HydrophobicContact CD1-CG1 4.17Å; L153-I268 HydrophobicContact CD1-CG2 4.2Å; L153-I268 HydrophobicContact CD2-CD1 4.26Å; L153-I268 HydrophobicContact CG-CG1 4.45Å; L153-L493 HydrophobicContact CD1-CD2 3.87Å; L153-L493 HydrophobicContact CD2-CD1 4.05Å
154	L	97.2	Very high	96.5	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.9	166.9	-52.8	-170.9	0	0	0	108.9	V152 H210 L254 F258 V265 C266 I267 I268 W275	V152-L154 HydrophobicContact CG1-CD2 4.24Å; L154-H210 HydrophobicContact CD2-CB 3.78Å; L154-L254 HydrophobicContact CD1-CD2 3.97Å; L154-F258 HydrophobicContact CD1-CE2 4.28Å; L154-F258 HydrophobicContact CD2-CE2 4.14Å; L154-F258 HydrophobicContact CD2-CZ 4.05Å; L154-V265 HydrophobicContact CD1-CG1 4.23Å; L154-V265 HydrophobicContact CG-CG1 4.06Å; L154-C266 PolarHBondContact N-O 2.96Å; L154-I267 HydrophobicContact CB-CB 4.48Å; L154-I267 HydrophobicContact CB-CG1 4.25Å; L154-I267 HydrophobicContact CB-CG2 4.25Å; L154-I267 HydrophobicContact CD1-CD1 4.19Å; L154-I267 HydrophobicContact CD1-CG1 4.05Å; L154-I267 HydrophobicContact CG-CG1 4.27Å; L154-I268 PolarHBondContact O-N 3.38Å; L154-W275 HydrophobicContact CD1-CH2 3.63Å; L154-W275 HydrophobicContact CD1-CZ2 4.33Å; L154-W275 HydrophobicContact CD1-CZ3 4.2Å
155	V	97.9	Very high	96.6	Very high	2 Å²	2	18 Å²	18	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.6	-173.5	-177.2	0	0	0	0	109.4	L153 I161 H210 I211 C212 F234 I268	L153-V155 HydrophobicContact CD2-CG2 3.97Å; L153-V155 HydrophobicContact CG-CG2 3.8Å; V155-I161 HydrophobicContact CG1-CD1 3.97Å; V155-I161 HydrophobicContact CG1-CG1 4.41Å; V155-I161 HydrophobicContact CG1-CG2 4.15Å; V155-H210 WeakPolarHBondContact CB-O 3.11Å; V155-H210 PolarHBondContact N-O 2.67Å; V155-I211 CarbonylContact O-C 3.43Å; V155-I211 WeakPolarHBondContact O-CA 3.47Å; V155-C212 PolarHBondContact O-N 2.83Å; V155-F234 HydrophobicContact CB-CE1 4.26Å; V155-F234 HydrophobicContact CG2-CE1 4.2Å; V155-I268 HydrophobicContact CB-CG1 4.36Å; V155-I268 HydrophobicContact CG1-CD1 4.15Å; V155-I268 HydrophobicContact CG1-CG1 4.35Å; V155-I268 HydrophobicContact CG2-CD1 4.08Å; V155-I268 HydrophobicContact CG2-CG1 4.12Å
156	D	97.8	Very high	96.5	Very high	11 Å²	11	20.3 Å²	20.3	6%	0.059	12%	0.118	C	C	.	.			trans	-77.2	162.3	165.4	176.1	70.5	0	0	0	112	D158 T160 K250 I268 D269	D156-D158 PolarHBondContact OD2-N 2.87Å; D156-T160 HydrophobicContact CB-CG2 4.12Å; D156-T160 WeakPolarHBondContact CB-OG1 3.42Å; D156-T160 WeakPolarHBondContact O-CB 3.41Å; D156-T160 WeakPolarHBondContact O-CG2 3.34Å; D156-T160 VanDerWaalsContact OD2-CB 3.31Å; D156-T160 WeakPolarHBondContact OD2-CB 3.41Å; D156-T160 PolarHBondContact OD2-OG1 2.83Å; D156-K250 VanDerWaalsContact CG-NZ 3.26Å; D156-K250 IonicContact OD1-NZ 3.63Å; D156-K250 PolarHBondContact OD1-NZ 3.44Å; D156-I268 PolarHBondContact N-O 2.87Å; D156-I268 VanDerWaalsContact N-O 3.16Å; D156-D269 HydrophobicContact CB-CB 4.24Å; D156-D269 WeakPolarHBondContact CB-OD2 3.18Å
157	L	97.7	Very high	96.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.13	C	C	.	.			trans	-99.4	-67.8	-179	-57.2	-178.4	0	0	0	113.1	Q159 T160 I161 I162 I211 T213 L223 I227	L157-Q159 PolarHBondContact O-N 3.14Å; L157-T160 PolarHBondContact O-N 2.76Å; L157-I161 HydrophobicContact CD2-CD1 3.88Å; L157-I161 HydrophobicContact CD2-CG1 4.16Å; L157-I161 PolarHBondContact O-N 2.95Å; L157-I162 HydrophobicContact CB-CD1 4.13Å; L157-I162 HydrophobicContact CB-CG1 4.08Å; L157-I162 WeakPolarHBondContact O-CG1 3.2Å; L157-I162 PolarHBondContact O-N 2.82Å; L157-I211 HydrophobicContact CD1-CG2 3.92Å; L157-I211 HydrophobicContact CD2-CD1 4.21Å; L157-I211 HydrophobicContact CD2-CG1 4.23Å; L157-I211 HydrophobicContact CD2-CG2 3.97Å; L157-I211 HydrophobicContact CG-CG2 3.9Å; L157-T213 HydrophobicContact CD1-CG2 3.91Å; L157-T213 HydrophobicContact CG-CG2 4.42Å; L157-L223 HydrophobicContact CD1-CB 4.29Å; L157-L223 HydrophobicContact CD1-CD1 3.86Å; L157-I227 HydrophobicContact CD2-CD1 4.3Å
158	D	96	Very high	95.9	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-75.1	122.3	-164.1	-69.5	-59.8	0	0	0	111.8	D156 T160 Y219 N297	D156-D158 PolarHBondContact OD2-N 2.87Å; D158-T160 PolarHBondContact O-N 3.48Å; D158-Y219 PolarHBondContact OD1-OH 3.41Å; D158-Y219 VanDerWaalsContact OD2-CE1 3.32Å; D158-Y219 WeakPolarHBondContact OD2-CE1 3.37Å; D158-N297 PolarHBondContact OD2-ND2 3.43Å
159	Q	94.5	Very high	95.5	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-2.8	-168.1	-50.5	-156.1	-17	0	0	114.8	L157 I162 H163 D270 P286 Y287 R288 D295	L157-Q159 PolarHBondContact O-N 3.14Å; Q159-I162 WeakPolarHBondContact CA-O 3.48Å; Q159-I162 PolarHBondContact N-O 3.33Å; Q159-H163 PolarHBondContact NE2-NE2 3.27Å; Q159-D270 HydrophobicContact CB-CB 4.46Å; Q159-D270 WeakPolarHBondContact CB-OD2 3.36Å; Q159-P286 HydrophobicContact CB-CB 4.33Å; Q159-P286 CarbonylContact O-C 3.55Å; Q159-Y287 WeakPolarHBondContact O-CB 3.29Å; Q159-Y287 PolarHBondContact O-N 2.97Å; Q159-R288 VanDerWaalsContact OE1-CZ 3.27Å; Q159-D295 HydrophobicContact CG-CB 4.49Å
160	T	96.7	Very high	95.1	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-61.2	171.5	-60.2	0	0	0	0	112.3	D156 L157 D158 R193 D270 V284	D156-T160 HydrophobicContact CB-CG2 4.12Å; D156-T160 WeakPolarHBondContact CB-OG1 3.42Å; D156-T160 WeakPolarHBondContact O-CB 3.41Å; D156-T160 WeakPolarHBondContact O-CG2 3.34Å; D156-T160 VanDerWaalsContact OD2-CB 3.31Å; D156-T160 WeakPolarHBondContact OD2-CB 3.41Å; D156-T160 PolarHBondContact OD2-OG1 2.83Å; L157-T160 PolarHBondContact O-N 2.76Å; D158-T160 PolarHBondContact O-N 3.48Å; T160-R193 WeakPolarHBondContact O-CD 3.5Å; T160-R193 PolarHBondContact O-NH1 3.35Å; T160-D270 PolarHBondContact OG1-N 2.9Å; T160-D270 VanDerWaalsContact OG1-N 3.11Å; T160-V284 HydrophobicContact CG2-CG2 4.11Å
161	I	96.7	Very high	94.4	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.026	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-7.8	177	60.9	165.6	0	0	0	114.7	V155 L157 R193 L196 I227	V155-I161 HydrophobicContact CG1-CD1 3.97Å; V155-I161 HydrophobicContact CG1-CG1 4.41Å; V155-I161 HydrophobicContact CG1-CG2 4.15Å; L157-I161 HydrophobicContact CD2-CD1 3.88Å; L157-I161 HydrophobicContact CD2-CG1 4.16Å; L157-I161 PolarHBondContact O-N 2.95Å; I161-R193 WeakPolarHBondContact O-CB 3.33Å; I161-R193 PolarHBondContact O-N 2.82Å; I161-L196 HydrophobicContact CB-CD1 3.83Å; I161-L196 HydrophobicContact CB-CD2 4.33Å; I161-L196 HydrophobicContact CD1-CD1 4.12Å; I161-L196 HydrophobicContact CD1-CD2 4.28Å; I161-L196 HydrophobicContact CG2-CD1 3.93Å; I161-I227 HydrophobicContact CD1-CD1 3.88Å
162	I	96.2	Very high	93.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	166.9	175	61.2	159.5	0	0	0	110.7	L157 Q159 T190 R191 L192 L223	L157-I162 HydrophobicContact CB-CD1 4.13Å; L157-I162 HydrophobicContact CB-CG1 4.08Å; L157-I162 WeakPolarHBondContact O-CG1 3.2Å; L157-I162 PolarHBondContact O-N 2.82Å; Q159-I162 WeakPolarHBondContact CA-O 3.48Å; Q159-I162 PolarHBondContact N-O 3.33Å; I162-T190 HydrophobicContact CB-CG2 3.79Å; I162-T190 HydrophobicContact CD1-CG2 3.8Å; I162-T190 HydrophobicContact CG1-CG2 4.38Å; I162-T190 HydrophobicContact CG2-CG2 4.1Å; I162-R191 WeakPolarHBondContact CA-O 3.41Å; I162-L192 HydrophobicContact CG2-CD2 3.55Å; I162-L223 HydrophobicContact CD1-CD1 3.34Å; I162-L223 HydrophobicContact CD1-CD2 3.78Å; I162-L223 HydrophobicContact CD1-CG 4.16Å
163	H	95.7	Very high	93.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.3	161.9	-167.9	-153	0	0	0	109	Q159 T190 R191 Y287 F289 F290	Q159-H163 PolarHBondContact NE2-NE2 3.27Å; H163-T190 CarbonylContact O-C 3.59Å; H163-T190 WeakPolarHBondContact O-CA 3.42Å; H163-R191 PolarHBondContact N-O 2.77Å; H163-R191 PolarHBondContact O-N 3.35Å; H163-Y287 HydrophobicContact CB-CD1 3.79Å; H163-Y287 HydrophobicContact CB-CE1 4.07Å; H163-F289 HydrophobicContact CB-CB 4.37Å; H163-F289 PolarHBondContact ND1-N 2.98Å; H163-F290 PolarHBondContact CE1-O 2.88Å; H163-F290 AromaticContact ND1-CD2 3.79Å; H163-F290 PolarHBondContact ND1-N 2.98Å; H163-F290 WeakPolarHBondContact O-CE2 3.22Å
164	T	95.7	Very high	92.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.8	-175.7	-56.1	0	0	0	0	111.1	Y188 H189 T190 Y219 I296	T164-Y188 HydrophobicContact CG2-CD1 4.05Å; T164-H189 CarbonylContact C-O 3.53Å; T164-H189 WeakPolarHBondContact CA-O 3.48Å; T164-T190 VanDerWaalsContact CG2-OG1 3.3Å; T164-T190 WeakPolarHBondContact CG2-OG1 3.21Å; T164-T190 WeakPolarHBondContact OG1-CG2 3.33Å; T164-T190 PolarHBondContact OG1-OG1 3.36Å; T164-Y219 VanDerWaalsContact CB-OH 3.24Å; T164-Y219 WeakPolarHBondContact CB-OH 3.49Å; T164-Y219 HydrophobicContact CG2-CE2 4.23Å; T164-Y219 PolarHBondContact OG1-OH 2.82Å; T164-I296 HydrophobicContact CG2-CD1 3.64Å; T164-I296 WeakPolarHBondContact O-CG2 3.46Å
165	T	94.4	Very high	92.3	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.5	170.3	-172	0	0	0	0	111.5	D167 A170 H189 F290	T165-D167 HydrophobicContact CG2-CB 4.09Å; T165-D167 PolarHBondContact OG1-N 2.84Å; T165-A170 HydrophobicContact CG2-CB 3.42Å; T165-A170 VanDerWaalsContact CG2-CB 3.42Å; T165-H189 HydrophobicContact CG2-CB 4.06Å; T165-H189 PolarHBondContact N-O 2.94Å; T165-H189 WeakPolarHBondContact O-CB 3.32Å; T165-H189 PolarHBondContact O-N 3.22Å; T165-F290 HydrophobicContact CG2-CB 4.37Å; T165-F290 HydrophobicContact CG2-CD1 3.75Å; T165-F290 HydrophobicContact CG2-CD2 3.53Å; T165-F290 HydrophobicContact CG2-CE1 3.83Å; T165-F290 HydrophobicContact CG2-CE2 3.61Å; T165-F290 HydrophobicContact CG2-CG 3.6Å; T165-F290 HydrophobicContact CG2-CZ 3.77Å
166	N	92.4	Very high	92	Very high	55 Å²	55	41.5 Å²	41.5	29%	0.294	21%	0.207	S	C	.	.			trans	-101.5	7.9	172.1	-62.1	-13.7	0	0	0	112	P168 Y188	N166-P168 VanDerWaalsContact O-CD 3.29Å; N166-P168 WeakPolarHBondContact O-CD 3.42Å; N166-Y188 VanDerWaalsContact OD1-CD1 3.25Å; N166-Y188 WeakPolarHBondContact OD1-CD1 3.24Å
167	D	91.7	Very high	91.8	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	22%	0.221	S	C	.	.			trans	-60	119.2	176	174.6	14.8	0	0	0	111.3	T165 Q169 A170 H189	T165-D167 HydrophobicContact CG2-CB 4.09Å; T165-D167 PolarHBondContact OG1-N 2.84Å; D167-Q169 PolarHBondContact O-N 2.85Å; D167-Q169 PolarHBondContact OD1-N 3.01Å; D167-A170 HydrophobicContact CB-CB 4.41Å; D167-A170 WeakPolarHBondContact O-CB 3.44Å; D167-A170 PolarHBondContact O-N 3.29Å; D167-H189 PolarHBondContact O-CE1 3.02Å; D167-H189 PolarHBondContact O-ND1 3.23Å
168	P	87.4	Confident	91.6	Very high	104 Å²	104	52.9 Å²	52.9	68%	0.675	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-7	175.6	-23.4	35.4	0	0	0	115.3	N166 F171	N166-P168 VanDerWaalsContact O-CD 3.29Å; N166-P168 WeakPolarHBondContact O-CD 3.42Å; P168-F171 WeakPolarHBondContact O-CD1 3.39Å; P168-F171 WeakPolarHBondContact O-CE1 3.39Å
169	Q	87.7	Confident	91.5	Very high	109 Å²	109	53.9 Å²	53.9	51%	0.509	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.5	173.8	-55.3	-162.5	56.8	0	0	114.3	D167 F171 K172	D167-Q169 PolarHBondContact O-N 2.85Å; D167-Q169 PolarHBondContact OD1-N 3.01Å; Q169-F171 PolarHBondContact O-N 3.19Å; Q169-K172 HydrophobicContact CB-CD 4.45Å; Q169-K172 WeakPolarHBondContact O-CB 3.23Å; Q169-K172 WeakPolarHBondContact O-CD 3.49Å; Q169-K172 VanDerWaalsContact O-CG 3.27Å; Q169-K172 WeakPolarHBondContact O-CG 3.21Å; Q169-K172 PolarHBondContact O-N 3.05Å
170	A	88.5	Confident	91.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.6	-17.1	-173.7	0	0	0	0	0	114.7	T165 D167 K172 Y173 H189 F290	T165-A170 HydrophobicContact CG2-CB 3.42Å; T165-A170 VanDerWaalsContact CG2-CB 3.42Å; D167-A170 HydrophobicContact CB-CB 4.41Å; D167-A170 WeakPolarHBondContact O-CB 3.44Å; D167-A170 PolarHBondContact O-N 3.29Å; A170-K172 PolarHBondContact O-N 2.88Å; A170-K172 VanDerWaalsContact O-N 3.07Å; A170-Y173 WeakPolarHBondContact O-CD2 3.28Å; A170-Y173 PolarHBondContact O-N 3.3Å; A170-H189 HydrophobicContact CB-CB 3.64Å; A170-F290 HydrophobicContact CB-CD1 4.31Å; A170-F290 HydrophobicContact CB-CE1 3.79Å; A170-F290 HydrophobicContact CB-CZ 4.32Å
171	F	83.9	Confident	91.2	Very high	126 Å²	126	61.1 Å²	61.1	55%	0.553	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-62.5	-10.5	173.5	75.7	-89.6	0	0	0	114.5	P168 Q169 Y173	P168-F171 WeakPolarHBondContact O-CD1 3.39Å; P168-F171 WeakPolarHBondContact O-CE1 3.39Å; Q169-F171 PolarHBondContact O-N 3.19Å; F171-Y173 VanDerWaalsContact C-N 3.33Å
172	K	86.2	Confident	90.8	Very high	85 Å²	85	63.8 Å²	63.8	37%	0.37	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-77.3	-17.9	-178.9	-62.6	172.3	-172.9	-179.7	0	113.4	Q169 A170 I471	Q169-K172 HydrophobicContact CB-CD 4.45Å; Q169-K172 WeakPolarHBondContact O-CB 3.23Å; Q169-K172 WeakPolarHBondContact O-CD 3.49Å; Q169-K172 VanDerWaalsContact O-CG 3.27Å; Q169-K172 WeakPolarHBondContact O-CG 3.21Å; Q169-K172 PolarHBondContact O-N 3.05Å; A170-K172 PolarHBondContact O-N 2.88Å; A170-K172 VanDerWaalsContact O-N 3.07Å; K172-I471 HydrophobicContact CB-CD1 4.22Å; K172-I471 HydrophobicContact CB-CG2 4.41Å; K172-I471 HydrophobicContact CD-CD1 3.85Å
173	Y	86.1	Confident	90.3	Very high	45 Å²	45	67.8 Å²	67.8	18%	0.176	34%	0.342	C	S	.	.	S	Bend	trans	-88.8	146.7	176.7	-55.2	-75.4	0	0	0	110.9	A170 F171 F289 F290 I471 I474 E475 M478	A170-Y173 WeakPolarHBondContact O-CD2 3.28Å; A170-Y173 PolarHBondContact O-N 3.3Å; F171-Y173 VanDerWaalsContact C-N 3.33Å; Y173-F289 HydrophobicContact CD1-CE1 4.38Å; Y173-F289 HydrophobicContact CD1-CZ 4.28Å; Y173-F289 HydrophobicContact CD2-CE1 4.22Å; Y173-F289 AromaticContact CG-CE1 3.91Å; Y173-F289 HydrophobicContact CG-CE1 3.91Å; Y173-F289 HydrophobicContact CG-CZ 4.14Å; Y173-F290 HydrophobicContact CD2-CD1 4.24Å; Y173-F290 AromaticContact CD2-CE1 3.95Å; Y173-F290 HydrophobicContact CD2-CE1 3.95Å; Y173-F290 HydrophobicContact CE2-CD1 4.19Å; Y173-F290 HydrophobicContact CE2-CE1 4.34Å; Y173-I471 HydrophobicContact CD1-CG2 4.09Å; Y173-I471 HydrophobicContact CE1-CG2 4.09Å; Y173-I474 HydrophobicContact CE1-CG2 4.46Å; Y173-E475 HydrophobicContact CD1-CB 4.34Å; Y173-M478 HydrophobicContact CD1-CE 4.32Å; Y173-M478 HydrophobicContact CE1-CE 4.07Å
174	K	86.7	Confident	89.9	Confident	120 Å²	120	68.9 Å²	68.9	52%	0.522	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	163.2	173.5	-55.1	-171.8	-149.4	86.8	0	111	V176 E475	K174-V176 PolarHBondContact O-N 3.28Å; K174-E475 WeakPolarHBondContact CB-OE1 3.15Å; K174-E475 WeakPolarHBondContact CG-OE1 3.31Å; K174-E475 PolarHBondContact N-OE1 3.18Å; K174-E475 IonicContact NZ-OE1 3.87Å; K174-E475 IonicContact NZ-OE2 3.84Å; K174-E475 PolarHBondContact NZ-OE2 2.89Å
175	N	87.7	Confident	89.5	Confident	105 Å²	105	73.7 Å²	73.7	56%	0.561	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	19.5	175.2	-51.5	-26	0	0	0	114	R191	N175-R191 WeakPolarHBondContact O-CD 3.32Å
176	V	92.3	Very high	89.3	Confident	26 Å²	26	77.4 Å²	77.4	16%	0.158	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.3	172.7	172.8	0	0	0	0	108.4	K174 H189 T190 R191 F289 F290	K174-V176 PolarHBondContact O-N 3.28Å; V176-H189 HydrophobicContact CG1-CB 3.7Å; V176-T190 CarbonylContact C-O 3.37Å; V176-T190 WeakPolarHBondContact CA-O 3.45Å; V176-R191 HydrophobicContact CG2-CB 4.25Å; V176-F289 HydrophobicContact CG2-CE1 3.9Å; V176-F290 HydrophobicContact CG1-CZ 4.11Å; V176-F290 HydrophobicContact CG2-CE1 4.13Å; V176-F290 HydrophobicContact CG2-CZ 3.92Å
177	H	93.4	Very high	89.4	Confident	77 Å²	77	76.4 Å²	76.4	36%	0.356	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133	173.8	-60.2	-101.2	0	0	0	109	H189 T190 M226	H177-H189 CarbonylContact O-C 3.59Å; H177-H189 WeakPolarHBondContact O-CA 3.25Å; H177-T190 PolarHBondContact N-O 3.35Å; H177-T190 PolarHBondContact O-N 3.15Å; H177-M226 HydrophobicContact CB-CE 3.57Å; H177-M226 HydrophobicContact CB-SD 3.45Å; H177-M226 WeakPolarHBondContact CB-SD 3.37Å
178	R	93.8	Very high	89.5	Confident	174 Å²	174	74.9 Å²	74.9	66%	0.657	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	-176.6	-179.4	-177.2	172.9	-136.6	-4.1	110	V187 Y188	R178-V187 HydrophobicContact CG-CG1 3.63Å; R178-Y188 WeakPolarHBondContact CA-O 3.43Å
179	Y	94.1	Very high	89.9	Confident	25 Å²	25	70.1 Å²	70.1	10%	0.098	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	173.2	-178.5	61	-86.3	0	0	0	112	L181 Y188 T190 Y219 Q222 L223 M226	Y179-L181 HydrophobicContact CD2-CD2 4.09Å; Y179-L181 HydrophobicContact CE2-CD2 3.74Å; Y179-L181 HydrophobicContact CE2-CG 4.34Å; Y179-Y188 HydrophobicContact CD2-CG 4.46Å; Y179-Y188 HydrophobicContact CE2-CD2 4.27Å; Y179-Y188 AromaticContact CE2-CG 3.91Å; Y179-Y188 HydrophobicContact CE2-CG 3.91Å; Y179-Y188 PolarHBondContact N-O 3.24Å; Y179-Y188 PolarHBondContact O-N 3.23Å; Y179-T190 WeakPolarHBondContact CE1-OG1 3.35Å; Y179-T190 PolarHBondContact OH-OG1 3.02Å; Y179-Y219 VanDerWaalsContact OH-CE2 3.23Å; Y179-Y219 WeakPolarHBondContact OH-CE2 3.47Å; Y179-Q222 HydrophobicContact CD2-CG 3.46Å; Y179-Q222 VanDerWaalsContact CD2-CG 3.46Å; Y179-Q222 HydrophobicContact CE2-CB 4.46Å; Y179-Q222 HydrophobicContact CE2-CG 3.58Å; Y179-Q222 HydrophobicContact CG-CG 4.06Å; Y179-L223 HydrophobicContact CE1-CD2 4.32Å; Y179-L223 WeakPolarHBondContact OH-CD2 3.2Å; Y179-M226 HydrophobicContact CD1-CE 3.66Å; Y179-M226 HydrophobicContact CE1-CE 3.65Å
180	R	93.5	Very high	90.3	Very high	147 Å²	147	64.9 Å²	64.9	56%	0.555	33%	0.33	S	S	*	.			trans	-130.8	133	172.4	168.4	176.1	-74.3	146.3	-8.9	107.2	S184 P185	R180-S184 WeakPolarHBondContact CD-O 3.48Å; R180-S184 WeakPolarHBondContact CG-O 3.39Å; R180-S184 PolarHBondContact NE-O 2.92Å; R180-P185 PolarHBondContact NE-O 2.95Å; R180-P185 PolarHBondContact NH2-O 2.82Å
181	L	92.2	Very high	90.6	Very high	9 Å²	9	65.8 Å²	65.8	5%	0.047	33%	0.334	C	S	.	.			trans	-75.1	143.6	172.5	-58.9	178.6	0	0	0	109.9	Y179 G183 S184 Y188 V218 Y219 Q222	Y179-L181 HydrophobicContact CD2-CD2 4.09Å; Y179-L181 HydrophobicContact CE2-CD2 3.74Å; Y179-L181 HydrophobicContact CE2-CG 4.34Å; L181-G183 PolarHBondContact O-N 2.85Å; L181-S184 WeakPolarHBondContact O-CB 3.36Å; L181-S184 PolarHBondContact O-N 2.75Å; L181-Y188 HydrophobicContact CB-CE2 4.29Å; L181-Y188 HydrophobicContact CD1-CD2 4.46Å; L181-Y188 HydrophobicContact CD1-CE1 4.24Å; L181-Y188 HydrophobicContact CD1-CE2 3.78Å; L181-Y188 HydrophobicContact CG-CD2 4.04Å; L181-Y188 HydrophobicContact CG-CE2 3.7Å; L181-V218 HydrophobicContact CB-CG1 4.34Å; L181-V218 HydrophobicContact CD2-CG1 4.3Å; L181-Y219 HydrophobicContact CD1-CD2 4.21Å; L181-Q222 HydrophobicContact CD2-CB 3.84Å; L181-Q222 HydrophobicContact CD2-CG 3.98Å
182	P	87.6	Confident	91.1	Very high	62 Å²	62	61.4 Å²	61.4	40%	0.403	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	136.1	168	-30	35.4	0	0	0	112.3	S184 V218	P182-S184 PolarHBondContact O-N 3.25Å; P182-V218 HydrophobicContact CG-CG1 4.28Å
183	G	86.2	Confident	91.6	Very high	84 Å²	84	57.5 Å²	57.5	87%	0.866	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	-14.5	-176.5	0	0	0	0	0	116.4	L181	L181-G183 PolarHBondContact O-N 2.85Å
184	S	86.3	Confident	91.9	Very high	24 Å²	24	55.7 Å²	55.7	17%	0.168	29%	0.293	C	S	.	.			trans	-90.7	131	-178.8	-171.9	0	0	0	0	112	R180 L181 P182 L186	R180-S184 WeakPolarHBondContact CD-O 3.48Å; R180-S184 WeakPolarHBondContact CG-O 3.39Å; R180-S184 PolarHBondContact NE-O 2.92Å; L181-S184 WeakPolarHBondContact O-CB 3.36Å; L181-S184 PolarHBondContact O-N 2.75Å; P182-S184 PolarHBondContact O-N 3.25Å; S184-L186 PolarHBondContact O-N 2.74Å; S184-L186 PolarHBondContact OG-N 3.29Å
185	P	87.9	Confident	92.3	Very high	103 Å²	103	53.5 Å²	53.5	67%	0.669	28%	0.284	S	S	*	.			trans	-70.2	-24.3	170.8	29.2	-34	0	0	0	111.8	R180	R180-P185 PolarHBondContact NE-O 2.95Å; R180-P185 PolarHBondContact NH2-O 2.82Å
186	L	90.8	Very high	92.7	Very high	82 Å²	82	49 Å²	49	43%	0.429	26%	0.26	S	S	.	.			trans	-68.2	150.5	-171.3	-57.7	176.7	0	0	0	112.5	S184 Y188	S184-L186 PolarHBondContact O-N 2.74Å; S184-L186 PolarHBondContact OG-N 3.29Å; L186-Y188 HydrophobicContact CB-CE2 3.95Å
187	V	93	Very high	92.7	Very high	35 Å²	35	54.1 Å²	54.1	21%	0.212	28%	0.282	C	S	.	.			trans	-111.2	113.1	176.3	177.3	0	0	0	0	107.7	R178 H189	R178-V187 HydrophobicContact CG-CG1 3.63Å; V187-H189 VanDerWaalsContact CG1-CE1 3.47Å; V187-H189 WeakPolarHBondContact CG1-CE1 3.48Å; V187-H189 PolarHBondContact O-ND1 2.89Å
188	Y	95.3	Very high	92.8	Very high	30 Å²	30	55.5 Å²	55.5	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.2	179.8	-63.7	-101.5	0	0	0	108.8	T164 N166 R178 Y179 L181 L186 Y219 I296	T164-Y188 HydrophobicContact CG2-CD1 4.05Å; N166-Y188 VanDerWaalsContact OD1-CD1 3.25Å; N166-Y188 WeakPolarHBondContact OD1-CD1 3.24Å; R178-Y188 WeakPolarHBondContact CA-O 3.43Å; Y179-Y188 HydrophobicContact CD2-CG 4.46Å; Y179-Y188 HydrophobicContact CE2-CD2 4.27Å; Y179-Y188 AromaticContact CE2-CG 3.91Å; Y179-Y188 HydrophobicContact CE2-CG 3.91Å; Y179-Y188 PolarHBondContact N-O 3.24Å; Y179-Y188 PolarHBondContact O-N 3.23Å; L181-Y188 HydrophobicContact CB-CE2 4.29Å; L181-Y188 HydrophobicContact CD1-CD2 4.46Å; L181-Y188 HydrophobicContact CD1-CE1 4.24Å; L181-Y188 HydrophobicContact CD1-CE2 3.78Å; L181-Y188 HydrophobicContact CG-CD2 4.04Å; L181-Y188 HydrophobicContact CG-CE2 3.7Å; L186-Y188 HydrophobicContact CB-CE2 3.95Å; Y188-Y219 HydrophobicContact CD1-CD2 4.25Å; Y188-Y219 AromaticContact CD1-CE2 3.96Å; Y188-Y219 HydrophobicContact CD1-CE2 3.96Å; Y188-Y219 HydrophobicContact CE1-CD2 4.28Å; Y188-Y219 HydrophobicContact CE1-CE2 4.28Å; Y188-I296 HydrophobicContact CD1-CD1 4.19Å; Y188-I296 HydrophobicContact CE1-CD1 4.23Å
189	H	95.5	Very high	93	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.6	178.2	-63	93.9	0	0	0	108.4	T164 T165 D167 A170 V176 H177 V187 F290	T164-H189 CarbonylContact C-O 3.53Å; T164-H189 WeakPolarHBondContact CA-O 3.48Å; T165-H189 HydrophobicContact CG2-CB 4.06Å; T165-H189 PolarHBondContact N-O 2.94Å; T165-H189 WeakPolarHBondContact O-CB 3.32Å; T165-H189 PolarHBondContact O-N 3.22Å; D167-H189 PolarHBondContact O-CE1 3.02Å; D167-H189 PolarHBondContact O-ND1 3.23Å; A170-H189 HydrophobicContact CB-CB 3.64Å; V176-H189 HydrophobicContact CG1-CB 3.7Å; H177-H189 CarbonylContact O-C 3.59Å; H177-H189 WeakPolarHBondContact O-CA 3.25Å; V187-H189 VanDerWaalsContact CG1-CE1 3.47Å; V187-H189 WeakPolarHBondContact CG1-CE1 3.48Å; V187-H189 PolarHBondContact O-ND1 2.89Å; H189-F290 HydrophobicContact CB-CZ 4.41Å; H189-F290 WeakPolarHBondContact O-CE2 3.44Å; H189-F290 WeakPolarHBondContact O-CZ 3.5Å
190	T	95.8	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	-173.8	-58.1	0	0	0	0	111.3	I162 H163 T164 V176 H177 Y179 L223	I162-T190 HydrophobicContact CB-CG2 3.79Å; I162-T190 HydrophobicContact CD1-CG2 3.8Å; I162-T190 HydrophobicContact CG1-CG2 4.38Å; I162-T190 HydrophobicContact CG2-CG2 4.1Å; H163-T190 CarbonylContact O-C 3.59Å; H163-T190 WeakPolarHBondContact O-CA 3.42Å; T164-T190 VanDerWaalsContact CG2-OG1 3.3Å; T164-T190 WeakPolarHBondContact CG2-OG1 3.21Å; T164-T190 WeakPolarHBondContact OG1-CG2 3.33Å; T164-T190 PolarHBondContact OG1-OG1 3.36Å; V176-T190 CarbonylContact C-O 3.37Å; V176-T190 WeakPolarHBondContact CA-O 3.45Å; H177-T190 PolarHBondContact N-O 3.35Å; H177-T190 PolarHBondContact O-N 3.15Å; Y179-T190 WeakPolarHBondContact CE1-OG1 3.35Å; Y179-T190 PolarHBondContact OH-OG1 3.02Å; T190-L223 HydrophobicContact CG2-CD2 3.94Å
191	R	94.6	Very high	93.3	Very high	19 Å²	19	42.2 Å²	42.2	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.5	166.7	-177.9	70.6	167.3	94.4	-12.4	108.3	I162 H163 N175 V176 Y287 F289 F290 D479	I162-R191 WeakPolarHBondContact CA-O 3.41Å; H163-R191 PolarHBondContact N-O 2.77Å; H163-R191 PolarHBondContact O-N 3.35Å; N175-R191 WeakPolarHBondContact O-CD 3.32Å; V176-R191 HydrophobicContact CG2-CB 4.25Å; R191-Y287 HydrophobicContact CB-CE1 4.47Å; R191-Y287 HydrophobicContact CG-CE1 4.18Å; R191-Y287 WeakPolarHBondContact CG-OH 3.24Å; R191-F289 HydrophobicContact CB-CB 4.17Å; R191-F289 HydrophobicContact CB-CD1 3.65Å; R191-F289 HydrophobicContact CB-CE1 4.13Å; R191-F289 HydrophobicContact CB-CG 3.9Å; R191-F289 HydrophobicContact CG-CB 4.11Å; R191-F289 HydrophobicContact CG-CD1 3.74Å; R191-F289 HydrophobicContact CG-CD2 3.82Å; R191-F289 HydrophobicContact CG-CE1 4.04Å; R191-F289 HydrophobicContact CG-CE2 4.11Å; R191-F289 HydrophobicContact CG-CG 3.62Å; R191-F289 HydrophobicContact CG-CZ 4.22Å; R191-F290 HydrophobicContact CB-CE2 4.45Å; R191-F290 HydrophobicContact CB-CZ 4.36Å; R191-D479 IonicContact CZ-OD1 3.23Å; R191-D479 IonicContact CZ-OD2 3.82Å; R191-D479 IonicContact NE-OD1 2.85Å; R191-D479 PolarHBondContact NE-OD1 2.94Å; R191-D479 IonicContact NH2-OD1 2.77Å; R191-D479 PolarHBondContact NH2-OD1 3.33Å; R191-D479 IonicContact NH2-OD2 2.7Å; R191-D479 PolarHBondContact NH2-OD2 2.84Å
192	L	95	Very high	93.6	Very high	33 Å²	33	43.1 Å²	43.1	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.6	167.7	-55.2	-175	0	0	0	109.4	I162 L196 M226 I227	I162-L192 HydrophobicContact CG2-CD2 3.55Å; L192-L196 HydrophobicContact CB-CD2 4.3Å; L192-L196 HydrophobicContact CD2-CD2 4.39Å; L192-M226 HydrophobicContact CD2-SD 4.09Å; L192-I227 HydrophobicContact CD1-CG2 4.43Å; L192-I227 HydrophobicContact CD2-CG2 3.67Å
193	R	95.3	Very high	94.1	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-64.4	143.2	176.5	-166.1	170.1	-166.4	160.5	13.3	110.5	T160 I161 L196 K285 Y287 D482 L486	T160-R193 WeakPolarHBondContact O-CD 3.5Å; T160-R193 PolarHBondContact O-NH1 3.35Å; I161-R193 WeakPolarHBondContact O-CB 3.33Å; I161-R193 PolarHBondContact O-N 2.82Å; R193-L196 WeakPolarHBondContact O-CB 3.49Å; R193-L196 PolarHBondContact O-N 2.83Å; R193-K285 VanDerWaalsContact CZ-O 3.27Å; R193-K285 PolarHBondContact NH1-O 2.92Å; R193-K285 PolarHBondContact NH2-O 3.41Å; R193-Y287 HydrophobicContact CB-CD1 3.79Å; R193-Y287 HydrophobicContact CB-CD2 4.48Å; R193-Y287 HydrophobicContact CB-CE1 3.85Å; R193-Y287 HydrophobicContact CB-CG 4.12Å; R193-Y287 HydrophobicContact CG-CD1 3.98Å; R193-Y287 HydrophobicContact CG-CD2 3.82Å; R193-Y287 HydrophobicContact CG-CE1 4.23Å; R193-Y287 HydrophobicContact CG-CE2 4.07Å; R193-Y287 HydrophobicContact CG-CG 3.78Å; R193-D482 IonicContact CZ-OD2 3.15Å; R193-D482 IonicContact NE-OD2 3.94Å; R193-D482 PolarHBondContact NE-OD2 2.88Å; R193-D482 IonicContact NH2-OD1 3.6Å; R193-D482 PolarHBondContact NH2-OD1 2.73Å; R193-D482 VanDerWaalsContact NH2-OD1 3.15Å; R193-D482 IonicContact NH2-OD2 2.71Å; R193-D482 PolarHBondContact NH2-OD2 3.31Å; R193-L486 HydrophobicContact CB-CD1 3.85Å; R193-L486 HydrophobicContact CB-CG 4.47Å; R193-L486 HydrophobicContact CG-CD1 3.85Å; R193-L486 HydrophobicContact CG-CG 3.92Å
194	P	93.7	Very high	94.6	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.052	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	146.7	-176	-30.4	38.3	0	0	0	114.2	L196 D483	P194-L196 PolarHBondContact O-N 3.22Å; P194-L196 VanDerWaalsContact O-N 3.09Å; P194-D483 WeakPolarHBondContact CB-OD1 3.33Å
195	H	94.4	Very high	95.1	Very high	74 Å²	74	42.4 Å²	42.4	34%	0.343	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	9.2	-177	-52	-46.4	0	0	0	117.7	E197 K198 V199 D483 L487	H195-E197 PolarHBondContact O-N 3.05Å; H195-K198 PolarHBondContact O-N 2.93Å; H195-V199 HydrophobicContact CB-CG2 4.42Å; H195-V199 PolarHBondContact O-N 2.96Å; H195-V199 VanDerWaalsContact O-N 3.11Å; H195-D483 PolarHBondContact CD2-O 3.03Å; H195-L487 HydrophobicContact CB-CD2 4.12Å; H195-L487 HydrophobicContact CB-CG 4.19Å; H195-L487 WeakPolarHBondContact CD2-CD1 3.27Å
196	L	95.4	Very high	95.6	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-47.9	-51.4	-174.9	-179.8	60.3	0	0	0	114.8	I161 L192 R193 P194 K198 V199 L200 I227 L486	I161-L196 HydrophobicContact CB-CD1 3.83Å; I161-L196 HydrophobicContact CB-CD2 4.33Å; I161-L196 HydrophobicContact CD1-CD1 4.12Å; I161-L196 HydrophobicContact CD1-CD2 4.28Å; I161-L196 HydrophobicContact CG2-CD1 3.93Å; L192-L196 HydrophobicContact CB-CD2 4.3Å; L192-L196 HydrophobicContact CD2-CD2 4.39Å; R193-L196 WeakPolarHBondContact O-CB 3.49Å; R193-L196 PolarHBondContact O-N 2.83Å; P194-L196 PolarHBondContact O-N 3.22Å; P194-L196 VanDerWaalsContact O-N 3.09Å; L196-K198 PolarHBondContact O-N 3.26Å; L196-V199 PolarHBondContact O-N 2.86Å; L196-L200 HydrophobicContact CD1-CD1 3.83Å; L196-L200 HydrophobicContact CD1-CD2 4.39Å; L196-L200 HydrophobicContact CD1-CG 3.89Å; L196-L200 HydrophobicContact CG-CD1 3.9Å; L196-L200 HydrophobicContact CG-CG 4.35Å; L196-L200 WeakPolarHBondContact O-CG 3.44Å; L196-L200 PolarHBondContact O-N 3.46Å; L196-I227 HydrophobicContact CD2-CB 4.47Å; L196-I227 HydrophobicContact CD2-CG2 4.03Å; L196-L486 HydrophobicContact CB-CD1 4.18Å; L196-L486 HydrophobicContact CD1-CD1 3.97Å
197	E	94	Very high	96	Very high	133 Å²	133	36.3 Å²	36.3	62%	0.621	18%	0.177	S	C	*	.	H	α-helix	trans	-59.3	-46.7	-177.9	-176.7	176.5	-154.6	0	0	112.2	H195 V199 L200 D201 Y233	H195-E197 PolarHBondContact O-N 3.05Å; E197-V199 VanDerWaalsContact C-N 3.28Å; E197-V199 PolarHBondContact O-N 3.17Å; E197-L200 PolarHBondContact O-N 2.72Å; E197-D201 PolarHBondContact O-N 3.28Å; E197-Y233 PolarHBondContact O-OH 3.49Å
198	K	95.1	Very high	96.1	Very high	106 Å²	106	36.6 Å²	36.6	46%	0.461	18%	0.175	S	C	.	.	H	α-helix	trans	-59.7	-39.3	177.5	177.8	-179.6	176.3	-177.6	0	111.8	H195 L196 C202 L487	H195-K198 PolarHBondContact O-N 2.93Å; L196-K198 PolarHBondContact O-N 3.26Å; K198-C202 WeakPolarHBondContact O-CB 3.05Å; K198-C202 PolarHBondContact O-N 3.33Å; K198-C202 VanDerWaalsContact O-N 3.1Å; K198-L487 HydrophobicContact CD-CD2 4.29Å
199	V	96.9	Very high	96.1	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-72.7	-39.9	180	170.9	0	0	0	0	111.3	H195 L196 E197 C202 L203 L486 L487 Q490	H195-V199 HydrophobicContact CB-CG2 4.42Å; H195-V199 PolarHBondContact O-N 2.96Å; H195-V199 VanDerWaalsContact O-N 3.11Å; L196-V199 PolarHBondContact O-N 2.86Å; E197-V199 VanDerWaalsContact C-N 3.28Å; E197-V199 PolarHBondContact O-N 3.17Å; V199-C202 PolarHBondContact O-N 3.5Å; V199-L203 HydrophobicContact CG1-CD1 3.65Å; V199-L203 HydrophobicContact CG1-CG 4.24Å; V199-L203 WeakPolarHBondContact O-CB 3.36Å; V199-L203 VanDerWaalsContact O-CG 3.26Å; V199-L203 WeakPolarHBondContact O-CG 3.3Å; V199-L203 PolarHBondContact O-N 3.24Å; V199-L486 HydrophobicContact CG2-CB 4.05Å; V199-L487 HydrophobicContact CG2-CD2 3.92Å; V199-Q490 HydrophobicContact CG1-CB 4.04Å; V199-Q490 HydrophobicContact CG1-CG 4.27Å; V199-Q490 HydrophobicContact CG2-CB 4.26Å
200	L	97.6	Very high	96	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-43	174.3	-67.2	174.8	0	0	0	112.1	L196 E197 C202 L203 S204 M209 Y233 F234	L196-L200 HydrophobicContact CD1-CD1 3.83Å; L196-L200 HydrophobicContact CD1-CD2 4.39Å; L196-L200 HydrophobicContact CD1-CG 3.89Å; L196-L200 HydrophobicContact CG-CD1 3.9Å; L196-L200 HydrophobicContact CG-CG 4.35Å; L196-L200 WeakPolarHBondContact O-CG 3.44Å; L196-L200 PolarHBondContact O-N 3.46Å; E197-L200 PolarHBondContact O-N 2.72Å; L200-C202 VanDerWaalsContact C-N 3.32Å; L200-C202 PolarHBondContact O-N 2.86Å; L200-L203 PolarHBondContact O-N 3.22Å; L200-S204 VanDerWaalsContact O-CB 3.28Å; L200-S204 WeakPolarHBondContact O-CB 3.46Å; L200-S204 PolarHBondContact O-N 3.04Å; L200-M209 HydrophobicContact CB-CE 4.35Å; L200-M209 HydrophobicContact CD2-CE 4.02Å; L200-M209 HydrophobicContact CD2-SD 3.76Å; L200-M209 WeakPolarHBondContact O-CE 3.47Å; L200-Y233 HydrophobicContact CB-CD1 4.13Å; L200-Y233 HydrophobicContact CB-CD2 3.72Å; L200-Y233 HydrophobicContact CB-CE1 3.99Å; L200-Y233 HydrophobicContact CB-CE2 3.54Å; L200-Y233 HydrophobicContact CB-CG 4Å; L200-Y233 HydrophobicContact CD1-CD2 3.66Å; L200-Y233 HydrophobicContact CD1-CE2 3.79Å; L200-Y233 HydrophobicContact CD1-CG 4.48Å; L200-Y233 HydrophobicContact CG-CD2 4.25Å; L200-Y233 HydrophobicContact CG-CE2 4.31Å; L200-F234 HydrophobicContact CD1-CE2 4.09Å; L200-F234 HydrophobicContact CD1-CZ 4.35Å; L200-F234 HydrophobicContact CD2-CE2 4.3Å; L200-F234 HydrophobicContact CD2-CZ 3.79Å
201	D	97.2	Very high	96	Very high	54 Å²	54	36.1 Å²	36.1	29%	0.289	18%	0.175	S	C	.	.	H	α-helix	trans	-61.1	-40.2	175.5	-109.2	-38.8	0	0	0	111.7	E197 S204 Q205 R232 Y233	E197-D201 PolarHBondContact O-N 3.28Å; D201-S204 PolarHBondContact O-OG 2.84Å; D201-Q205 PolarHBondContact O-NE2 3.18Å; D201-R232 VanDerWaalsContact CG-NH2 3.29Å; D201-R232 IonicContact OD1-CZ 3.5Å; D201-R232 VanDerWaalsContact OD1-CZ 3.26Å; D201-R232 IonicContact OD1-NH1 3.39Å; D201-R232 PolarHBondContact OD1-NH1 3.48Å; D201-R232 IonicContact OD1-NH2 3.86Å; D201-R232 PolarHBondContact OD1-NH2 3.2Å; D201-R232 IonicContact OD2-CZ 2.8Å; D201-R232 IonicContact OD2-NH1 3.63Å; D201-R232 IonicContact OD2-NH2 3.84Å; D201-R232 PolarHBondContact OD2-NH2 3.44Å; D201-Y233 HydrophobicContact CB-CE1 4.38Å; D201-Y233 VanDerWaalsContact CG-OH 3.23Å; D201-Y233 PolarHBondContact OD2-OH 3.45Å; D201-Y233 VanDerWaalsContact OD2-OH 3.09Å
202	C	97.8	Very high	95.9	Very high	29 Å²	29	35.4 Å²	35.4	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-54.1	174	-174.2	0	0	0	0	112.2	K198 V199 L200 S204 Q205 Y206 Q490	K198-C202 WeakPolarHBondContact O-CB 3.05Å; K198-C202 PolarHBondContact O-N 3.33Å; K198-C202 VanDerWaalsContact O-N 3.1Å; V199-C202 PolarHBondContact O-N 3.5Å; L200-C202 VanDerWaalsContact C-N 3.32Å; L200-C202 PolarHBondContact O-N 2.86Å; C202-S204 VanDerWaalsContact C-N 3.27Å; C202-S204 PolarHBondContact O-N 3.45Å; C202-Q205 PolarHBondContact O-N 3.23Å; C202-Y206 WeakPolarHBondContact O-CD2 3.4Å; C202-Q490 HydrophobicContact CB-CG 4.37Å; C202-Q490 VanDerWaalsContact SG-CD 3.56Å
203	L	98	Very high	95.9	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-28.9	-175.5	-69.1	173.7	0	0	0	112.9	L153 V199 L200 Q205 Y206 Y207 M209 Q490 L493	L153-L203 HydrophobicContact CD2-CD1 4.16Å; V199-L203 HydrophobicContact CG1-CD1 3.65Å; V199-L203 HydrophobicContact CG1-CG 4.24Å; V199-L203 WeakPolarHBondContact O-CB 3.36Å; V199-L203 VanDerWaalsContact O-CG 3.26Å; V199-L203 WeakPolarHBondContact O-CG 3.3Å; V199-L203 PolarHBondContact O-N 3.24Å; L200-L203 PolarHBondContact O-N 3.22Å; L203-Q205 PolarHBondContact O-N 3.45Å; L203-Y206 PolarHBondContact O-N 2.89Å; L203-Y207 HydrophobicContact CD2-CD2 4.02Å; L203-Y207 HydrophobicContact CD2-CE2 4.15Å; L203-Y207 PolarHBondContact O-N 3.46Å; L203-M209 HydrophobicContact CB-SD 3.96Å; L203-Q490 HydrophobicContact CD2-CG 4.15Å; L203-Q490 HydrophobicContact CG-CG 4.24Å; L203-L493 HydrophobicContact CD1-CD1 3.66Å; L203-L493 HydrophobicContact CD2-CB 3.79Å; L203-L493 HydrophobicContact CD2-CD1 3.96Å; L203-L493 HydrophobicContact CG-CD1 4.5Å
204	S	97	Very high	95.8	Very high	29 Å²	29	34 Å²	34	20%	0.203	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.5	177.5	75.6	0	0	0	0	114.5	K150 L200 D201 C202	K150-S204 PolarHBondContact NZ-O 3.37Å; L200-S204 VanDerWaalsContact O-CB 3.28Å; L200-S204 WeakPolarHBondContact O-CB 3.46Å; L200-S204 PolarHBondContact O-N 3.04Å; D201-S204 PolarHBondContact O-OG 2.84Å; C202-S204 VanDerWaalsContact C-N 3.27Å; C202-S204 PolarHBondContact O-N 3.45Å
205	Q	97.1	Very high	95.7	Very high	121 Å²	121	33.6 Å²	33.6	57%	0.565	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.5	177.7	-61.4	171.5	48.9	0	0	112	K150 D201 C202 L203	K150-Q205 VanDerWaalsContact CE-O 3.28Å; K150-Q205 WeakPolarHBondContact CE-O 3.27Å; D201-Q205 PolarHBondContact O-NE2 3.18Å; C202-Q205 PolarHBondContact O-N 3.23Å; L203-Q205 PolarHBondContact O-N 3.45Å
206	Y	98.3	Very high	95.5	Very high	55 Å²	55	32.6 Å²	32.6	22%	0.216	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-20.2	-172.4	-59.5	-82.1	0	0	0	113.3	K150 L151 C202 L203 L494 H497	K150-Y206 VanDerWaalsContact CA-O 3.29Å; K150-Y206 WeakPolarHBondContact CA-O 3.34Å; L151-Y206 PolarHBondContact N-O 2.9Å; C202-Y206 WeakPolarHBondContact O-CD2 3.4Å; L203-Y206 PolarHBondContact O-N 2.89Å; Y206-L494 HydrophobicContact CD1-CD2 4.16Å; Y206-L494 HydrophobicContact CD2-CD2 3.32Å; Y206-L494 HydrophobicContact CE1-CD2 4.29Å; Y206-L494 HydrophobicContact CE2-CD2 3.48Å; Y206-L494 VanDerWaalsContact CE2-CD2 3.48Å; Y206-L494 HydrophobicContact CG-CD2 3.69Å; Y206-H497 AromaticContact CD1-CE1 3.63Å; Y206-H497 AromaticContact CD1-ND1 3.74Å; Y206-H497 AromaticContact CD1-NE2 3.87Å; Y206-H497 PolarHBondContact O-CD2 3.29Å
207	Y	98.3	Very high	95.1	Very high	2 Å²	2	35 Å²	35	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.4	-175.5	-69.9	-90.6	0	0	0	111.9	L151 L153 L203 C266 L493 H497	L151-Y207 HydrophobicContact CB-CD1 3.56Å; L151-Y207 HydrophobicContact CB-CE1 3.47Å; L151-Y207 VanDerWaalsContact CB-CE1 3.47Å; L151-Y207 HydrophobicContact CD1-CE1 3.89Å; L151-Y207 HydrophobicContact CG-CE1 4.3Å; L151-Y207 CarbonylContact O-C 3.54Å; L151-Y207 VanDerWaalsContact O-CA 3.27Å; L151-Y207 WeakPolarHBondContact O-CA 3.32Å; L153-Y207 HydrophobicContact CB-CD1 3.65Å; L153-Y207 HydrophobicContact CB-CE1 4.38Å; L153-Y207 HydrophobicContact CB-CG 3.99Å; L203-Y207 HydrophobicContact CD2-CD2 4.02Å; L203-Y207 HydrophobicContact CD2-CE2 4.15Å; L203-Y207 PolarHBondContact O-N 3.46Å; Y207-C266 HydrophobicContact CE1-CB 4.03Å; Y207-L493 HydrophobicContact CE2-CB 4.03Å; Y207-L493 PolarHBondContact OH-O 3.06Å; Y207-H497 HydrophobicContact CE2-CB 4.2Å
208	Q	95.3	Very high	95	Very high	40 Å²	40	31.3 Å²	31.3	19%	0.187	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.6	158.2	-168	-159.1	84.1	0	0	107	D141 L145 L151 V152 L153 H210	D141-Q208 PolarHBondContact OD1-NE2 3.19Å; L145-Q208 HydrophobicContact CD2-CB 3.78Å; L145-Q208 HydrophobicContact CD2-CG 4.49Å; L151-Q208 PolarHBondContact O-N 2.71Å; V152-Q208 WeakPolarHBondContact CA-O 3.48Å; L153-Q208 PolarHBondContact N-O 3.13Å; Q208-H210 PolarHBondContact OE1-NE2 3.29Å
209	M	95.6	Very high	95	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.2	-171.8	-59.9	-175.7	-73.5	0	0	111.9	L153 L200 L203 Y233 F234 R237	L153-M209 HydrophobicContact CB-CG 4.27Å; L153-M209 HydrophobicContact CD2-CG 4.37Å; L153-M209 HydrophobicContact CD2-SD 4.45Å; L153-M209 WeakPolarHBondContact O-CA 3.49Å; L200-M209 HydrophobicContact CB-CE 4.35Å; L200-M209 HydrophobicContact CD2-CE 4.02Å; L200-M209 HydrophobicContact CD2-SD 3.76Å; L200-M209 WeakPolarHBondContact O-CE 3.47Å; L203-M209 HydrophobicContact CB-SD 3.96Å; M209-Y233 HydrophobicContact CE-CD1 4.12Å; M209-Y233 HydrophobicContact CE-CG 4.15Å; M209-F234 HydrophobicContact CB-CD1 3.9Å; M209-F234 HydrophobicContact CB-CE1 3.74Å; M209-R237 PolarHBondContact O-NE 2.91Å
210	H	94.1	Very high	94.8	Very high	22 Å²	22	26.1 Å²	26.1	10%	0.102	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.4	178.8	-65.5	-123.3	0	0	0	109.4	L153 L154 V155 Q208 R237	L153-H210 PolarHBondContact O-N 3.15Å; L154-H210 HydrophobicContact CD2-CB 3.78Å; V155-H210 WeakPolarHBondContact CB-O 3.11Å; V155-H210 PolarHBondContact N-O 2.67Å; Q208-H210 PolarHBondContact OE1-NE2 3.29Å; H210-R237 CarbonylContact C-O 3.46Å; H210-R237 WeakPolarHBondContact CA-O 3.24Å; H210-R237 HydrophobicContact CB-CB 4.17Å
211	I	94.8	Very high	94.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.8	168.3	-67.3	173.4	0	0	0	108.9	V155 L157 T213 A224 I227 F234 R237 I238 L239	V155-I211 CarbonylContact O-C 3.43Å; V155-I211 WeakPolarHBondContact O-CA 3.47Å; L157-I211 HydrophobicContact CD1-CG2 3.92Å; L157-I211 HydrophobicContact CD2-CD1 4.21Å; L157-I211 HydrophobicContact CD2-CG1 4.23Å; L157-I211 HydrophobicContact CD2-CG2 3.97Å; L157-I211 HydrophobicContact CG-CG2 3.9Å; I211-T213 HydrophobicContact CG2-CG2 4.05Å; I211-A224 HydrophobicContact CD1-CB 3.97Å; I211-I227 HydrophobicContact CD1-CD1 4.32Å; I211-F234 HydrophobicContact CD1-CB 4.25Å; I211-F234 HydrophobicContact CD1-CD1 4.23Å; I211-F234 HydrophobicContact CD1-CD2 3.94Å; I211-F234 HydrophobicContact CD1-CE2 4.33Å; I211-F234 HydrophobicContact CD1-CG 3.88Å; I211-F234 HydrophobicContact CG1-CB 4.33Å; I211-F234 HydrophobicContact CG1-CD1 3.6Å; I211-F234 HydrophobicContact CG1-CD2 4.18Å; I211-F234 HydrophobicContact CG1-CE1 3.82Å; I211-F234 HydrophobicContact CG1-CE2 4.4Å; I211-F234 HydrophobicContact CG1-CG 3.77Å; I211-F234 HydrophobicContact CG1-CZ 4.22Å; I211-R237 PolarHBondContact N-O 3.13Å; I211-I238 HydrophobicContact CB-CB 4.5Å; I211-I238 HydrophobicContact CB-CG1 4.35Å; I211-I238 HydrophobicContact CB-CG2 4.23Å; I211-I238 HydrophobicContact CD1-CD1 4.46Å; I211-I238 HydrophobicContact CD1-CG1 4.28Å; I211-I238 HydrophobicContact CG2-CG2 4.14Å; I211-L239 PolarHBondContact O-N 2.75Å
212	C	93.6	Very high	94.4	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	93.9	174.2	-173	0	0	0	0	110.4	V155 L239 K250 W275	V155-C212 PolarHBondContact O-N 2.83Å; C212-L239 WeakPolarHBondContact CA-O 3.32Å; C212-K250 PolarHBondContact O-NZ 2.87Å; C212-W275 HydrophobicContact CB-CH2 4.38Å; C212-W275 HydrophobicContact CB-CZ2 4.26Å; C212-W275 VanDerWaalsContact SG-CH2 3.55Å
213	T	94	Very high	94.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.124	C	C	.	.			trans	-124.5	154.3	-168.3	-175.2	0	0	0	0	112.7	L157 I211 G215 A220 L239 S240 R241	L157-T213 HydrophobicContact CD1-CG2 3.91Å; L157-T213 HydrophobicContact CG-CG2 4.42Å; I211-T213 HydrophobicContact CG2-CG2 4.05Å; T213-G215 VanDerWaalsContact C-N 3.33Å; T213-G215 PolarHBondContact OG1-N 3.45Å; T213-A220 HydrophobicContact CG2-CB 3.83Å; T213-L239 PolarHBondContact N-O 3.28Å; T213-S240 CarbonylContact O-C 3.48Å; T213-S240 VanDerWaalsContact O-C 3.27Å; T213-S240 WeakPolarHBondContact O-CA 3.44Å; T213-R241 PolarHBondContact O-N 3.02Å
214	F	92.8	Very high	94.1	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.026	13%	0.126	C	C	.	.	S	Bend	trans	-88.7	5.7	164.9	-76.6	-44.7	0	0	0	113.9	R241 P247 V248 K250 V274	F214-R241 HydrophobicContact CD1-CB 4.43Å; F214-R241 WeakPolarHBondContact O-CB 3.47Å; F214-R241 PolarHBondContact O-NE 3.11Å; F214-R241 PolarHBondContact O-NH1 3.42Å; F214-R241 VanDerWaalsContact O-NH1 3.09Å; F214-R241 PolarHBondContact O-NH2 3.31Å; F214-R241 VanDerWaalsContact O-NH2 3.08Å; F214-P247 WeakPolarHBondContact CE1-O 3.38Å; F214-V248 WeakPolarHBondContact CZ-O 3.36Å; F214-K250 HydrophobicContact CD2-CG 4.43Å; F214-K250 HydrophobicContact CE1-CG 3.96Å; F214-K250 HydrophobicContact CE2-CD 4.47Å; F214-K250 HydrophobicContact CE2-CG 3.84Å; F214-K250 HydrophobicContact CZ-CG 3.56Å; F214-V274 HydrophobicContact CD2-CG1 4.35Å; F214-V274 HydrophobicContact CE2-CB 3.85Å; F214-V274 HydrophobicContact CE2-CG1 3.69Å
215	G	91.7	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-58.7	154.9	158.2	0	0	0	0	0	111.9	T213 S240 R241	T213-G215 VanDerWaalsContact C-N 3.33Å; T213-G215 PolarHBondContact OG1-N 3.45Å; G215-S240 WeakPolarHBondContact O-CB 3.4Å; G215-R241 WeakPolarHBondContact O-CB 3.42Å; G215-R241 PolarHBondContact O-N 2.76Å
216	N	90.4	Very high	93.7	Very high	53 Å²	53	23.5 Å²	23.5	28%	0.283	12%	0.12	S	C	.	.			trans	-75	166.9	168.8	73.8	1.6	0	0	0	110.6	V218 Y219 A220 D242	N216-V218 VanDerWaalsContact C-N 3.31Å; N216-V218 PolarHBondContact O-N 3.4Å; N216-Y219 PolarHBondContact O-N 2.97Å; N216-Y219 WeakPolarHBondContact OD1-CB 3.28Å; N216-Y219 PolarHBondContact OD1-N 3.02Å; N216-A220 WeakPolarHBondContact O-CB 3.39Å; N216-A220 PolarHBondContact O-N 3.15Å; N216-D242 WeakPolarHBondContact CB-OD1 3.41Å; N216-D242 WeakPolarHBondContact CB-OD2 3.44Å
217	R	88.5	Confident	93.6	Very high	60 Å²	60	21.5 Å²	21.5	23%	0.226	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-42	-173.9	-168.9	-174.3	-175.9	111.4	-5.9	112.3	A123 Y219 A220 H221 S240 D242 E243 E1126	A123-R217 PolarHBondContact O-NH1 3.43Å; A123-R217 PolarHBondContact O-NH2 2.85Å; R217-Y219 PolarHBondContact O-N 2.89Å; R217-A220 PolarHBondContact O-N 3.08Å; R217-H221 WeakPolarHBondContact O-CB 3.23Å; R217-H221 PolarHBondContact O-CD2 3.2Å; R217-H221 VanDerWaalsContact O-CD2 3.31Å; R217-H221 PolarHBondContact O-N 3.35Å; R217-S240 WeakPolarHBondContact CA-OG 3.29Å; R217-S240 PolarHBondContact N-OG 2.79Å; R217-D242 HydrophobicContact CB-CB 4.48Å; R217-D242 WeakPolarHBondContact CB-OD2 3.24Å; R217-D242 PolarHBondContact N-OD2 3.33Å; R217-E243 WeakPolarHBondContact CD-OE1 3.3Å; R217-E243 IonicContact CZ-OE1 2.77Å; R217-E243 IonicContact NE-OE1 2.8Å; R217-E243 IonicContact NH1-OE1 3.37Å; R217-E243 PolarHBondContact NH1-OE1 3.47Å; R217-E1126 IonicContact NH2-OE2 2.73Å; R217-E1126 PolarHBondContact NH2-OE2 3.3Å
218	V	91.2	Very high	93.4	Very high	55 Å²	55	21.7 Å²	21.7	33%	0.333	11%	0.114	S	C	.	.	H	α-helix	trans	-62.7	-42.8	180	-170.5	0	0	0	0	111.1	L181 P182 N216 Q222	L181-V218 HydrophobicContact CB-CG1 4.34Å; L181-V218 HydrophobicContact CD2-CG1 4.3Å; P182-V218 HydrophobicContact CG-CG1 4.28Å; N216-V218 VanDerWaalsContact C-N 3.31Å; N216-V218 PolarHBondContact O-N 3.4Å; V218-Q222 VanDerWaalsContact O-CB 3.24Å; V218-Q222 WeakPolarHBondContact O-CB 3.47Å; V218-Q222 PolarHBondContact O-N 2.83Å
219	Y	94.1	Very high	93.3	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-45.4	173.3	-179.4	-101.1	0	0	0	112.1	D158 T164 Y179 L181 Y188 N216 R217 Q222 L223 I296 N297	D158-Y219 PolarHBondContact OD1-OH 3.41Å; D158-Y219 VanDerWaalsContact OD2-CE1 3.32Å; D158-Y219 WeakPolarHBondContact OD2-CE1 3.37Å; T164-Y219 VanDerWaalsContact CB-OH 3.24Å; T164-Y219 WeakPolarHBondContact CB-OH 3.49Å; T164-Y219 HydrophobicContact CG2-CE2 4.23Å; T164-Y219 PolarHBondContact OG1-OH 2.82Å; Y179-Y219 VanDerWaalsContact OH-CE2 3.23Å; Y179-Y219 WeakPolarHBondContact OH-CE2 3.47Å; L181-Y219 HydrophobicContact CD1-CD2 4.21Å; Y188-Y219 HydrophobicContact CD1-CD2 4.25Å; Y188-Y219 AromaticContact CD1-CE2 3.96Å; Y188-Y219 HydrophobicContact CD1-CE2 3.96Å; Y188-Y219 HydrophobicContact CE1-CD2 4.28Å; Y188-Y219 HydrophobicContact CE1-CE2 4.28Å; N216-Y219 PolarHBondContact O-N 2.97Å; N216-Y219 WeakPolarHBondContact OD1-CB 3.28Å; N216-Y219 PolarHBondContact OD1-N 3.02Å; R217-Y219 PolarHBondContact O-N 2.89Å; Y219-Q222 PolarHBondContact O-N 2.75Å; Y219-L223 HydrophobicContact CD1-CD1 3.65Å; Y219-L223 HydrophobicContact CD2-CD1 4.31Å; Y219-L223 HydrophobicContact CE1-CD1 3.26Å; Y219-L223 HydrophobicContact CE2-CD1 3.97Å; Y219-L223 HydrophobicContact CG-CD1 4.18Å; Y219-L223 VanDerWaalsContact CZ-CD1 3.45Å; Y219-L223 WeakPolarHBondContact O-CG 3.3Å; Y219-L223 PolarHBondContact O-N 3.44Å; Y219-I296 HydrophobicContact CE2-CD1 4.2Å; Y219-N297 WeakPolarHBondContact CE1-ND2 3.43Å
220	A	94	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-44.5	-179.9	0	0	0	0	0	112.4	T213 N216 R217 L223 A224 I238	T213-A220 HydrophobicContact CG2-CB 3.83Å; N216-A220 WeakPolarHBondContact O-CB 3.39Å; N216-A220 PolarHBondContact O-N 3.15Å; R217-A220 PolarHBondContact O-N 3.08Å; A220-L223 PolarHBondContact O-N 2.91Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.45Å; A220-A224 PolarHBondContact O-N 3.3Å; A220-I238 HydrophobicContact CB-CG2 3.89Å
221	H	91.5	Very high	92.9	Very high	15 Å²	15	34 Å²	34	7%	0.069	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-37.8	175.7	-82.2	-110.1	0	0	0	112.7	R217 L223 A224 S225 E1126 L1130	R217-H221 WeakPolarHBondContact O-CB 3.23Å; R217-H221 PolarHBondContact O-CD2 3.2Å; R217-H221 VanDerWaalsContact O-CD2 3.31Å; R217-H221 PolarHBondContact O-N 3.35Å; H221-L223 VanDerWaalsContact C-N 3.26Å; H221-L223 PolarHBondContact O-N 2.8Å; H221-A224 PolarHBondContact O-N 3.43Å; H221-S225 WeakPolarHBondContact O-CB 3.38Å; H221-S225 PolarHBondContact O-N 2.98Å; H221-S225 PolarHBondContact O-OG 2.82Å; H221-E1126 IonicContact NE2-OE2 2.92Å; H221-E1126 PolarHBondContact NE2-OE2 2.95Å; H221-L1130 HydrophobicContact CB-CD2 4.4Å
222	Q	94.5	Very high	92.8	Very high	62 Å²	62	39.1 Å²	39.1	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-64.1	-32	175.1	-179.8	60.3	95.6	0	0	112.2	Y179 L181 V218 Y219 S225	Y179-Q222 HydrophobicContact CD2-CG 3.46Å; Y179-Q222 VanDerWaalsContact CD2-CG 3.46Å; Y179-Q222 HydrophobicContact CE2-CB 4.46Å; Y179-Q222 HydrophobicContact CE2-CG 3.58Å; Y179-Q222 HydrophobicContact CG-CG 4.06Å; L181-Q222 HydrophobicContact CD2-CB 3.84Å; L181-Q222 HydrophobicContact CD2-CG 3.98Å; V218-Q222 VanDerWaalsContact O-CB 3.24Å; V218-Q222 WeakPolarHBondContact O-CB 3.47Å; V218-Q222 PolarHBondContact O-N 2.83Å; Y219-Q222 PolarHBondContact O-N 2.75Å; Q222-S225 PolarHBondContact NE2-OG 3.33Å; Q222-S225 PolarHBondContact O-OG 3.35Å
223	L	95.4	Very high	92.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-80	-40	172.9	-71.1	169.8	0	0	0	112.5	L157 I162 Y179 T190 Y219 A220 H221 S225 M226 I227	L157-L223 HydrophobicContact CD1-CB 4.29Å; L157-L223 HydrophobicContact CD1-CD1 3.86Å; I162-L223 HydrophobicContact CD1-CD1 3.34Å; I162-L223 HydrophobicContact CD1-CD2 3.78Å; I162-L223 HydrophobicContact CD1-CG 4.16Å; Y179-L223 HydrophobicContact CE1-CD2 4.32Å; Y179-L223 WeakPolarHBondContact OH-CD2 3.2Å; T190-L223 HydrophobicContact CG2-CD2 3.94Å; Y219-L223 HydrophobicContact CD1-CD1 3.65Å; Y219-L223 HydrophobicContact CD2-CD1 4.31Å; Y219-L223 HydrophobicContact CE1-CD1 3.26Å; Y219-L223 HydrophobicContact CE2-CD1 3.97Å; Y219-L223 HydrophobicContact CG-CD1 4.18Å; Y219-L223 VanDerWaalsContact CZ-CD1 3.45Å; Y219-L223 WeakPolarHBondContact O-CG 3.3Å; Y219-L223 PolarHBondContact O-N 3.44Å; A220-L223 PolarHBondContact O-N 2.91Å; H221-L223 VanDerWaalsContact C-N 3.26Å; H221-L223 PolarHBondContact O-N 2.8Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 PolarHBondContact O-N 3.32Å; L223-M226 HydrophobicContact CD2-CE 4.26Å; L223-M226 HydrophobicContact CD2-SD 4.45Å; L223-M226 WeakPolarHBondContact O-CA 3.49Å; L223-M226 WeakPolarHBondContact O-CB 2.77Å; L223-M226 PolarHBondContact O-N 2.77Å; L223-I227 WeakPolarHBondContact O-CG1 3.45Å; L223-I227 PolarHBondContact O-N 2.84Å
224	A	94.1	Very high	92.7	Very high	10 Å²	10	39.3 Å²	39.3	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-42.7	176	0	0	0	0	0	111.9	I211 A220 H221 M226 I227 D228 I238	I211-A224 HydrophobicContact CD1-CB 3.97Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.45Å; A220-A224 PolarHBondContact O-N 3.3Å; H221-A224 PolarHBondContact O-N 3.43Å; A224-M226 PolarHBondContact O-N 3.13Å; A224-I227 PolarHBondContact O-N 3.32Å; A224-D228 CarbonylContact O-C 3.6Å; A224-D228 WeakPolarHBondContact O-CA 3.31Å; A224-D228 PolarHBondContact O-N 3.09Å; A224-I238 HydrophobicContact CB-CD1 3.58Å
225	S	92.5	Very high	92.4	Very high	64 Å²	64	40.4 Å²	40.4	45%	0.448	20%	0.203	S	C	.	.	H	α-helix	trans	-66.1	-18.4	174.6	55.4	0	0	0	0	114.2	H221 Q222 L223 P229	H221-S225 WeakPolarHBondContact O-CB 3.38Å; H221-S225 PolarHBondContact O-N 2.98Å; H221-S225 PolarHBondContact O-OG 2.82Å; Q222-S225 PolarHBondContact NE2-OG 3.33Å; Q222-S225 PolarHBondContact O-OG 3.35Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 PolarHBondContact O-N 3.32Å; S225-P229 WeakPolarHBondContact O-CA 3.48Å; S225-P229 WeakPolarHBondContact O-CG 3.2Å
226	M	93.6	Very high	91.8	Very high	37 Å²	37	41.9 Å²	41.9	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-88.1	-42.4	176	-174.8	-169.2	-58.5	0	0	112.4	H177 Y179 L192 L223 A224	H177-M226 HydrophobicContact CB-CE 3.57Å; H177-M226 HydrophobicContact CB-SD 3.45Å; H177-M226 WeakPolarHBondContact CB-SD 3.37Å; Y179-M226 HydrophobicContact CD1-CE 3.66Å; Y179-M226 HydrophobicContact CE1-CE 3.65Å; L192-M226 HydrophobicContact CD2-SD 4.09Å; L223-M226 HydrophobicContact CD2-CE 4.26Å; L223-M226 HydrophobicContact CD2-SD 4.45Å; L223-M226 WeakPolarHBondContact O-CA 3.49Å; L223-M226 WeakPolarHBondContact O-CB 2.77Å; L223-M226 PolarHBondContact O-N 2.77Å; A224-M226 PolarHBondContact O-N 3.13Å
227	I	95.2	Very high	91.8	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.072	20%	0.204	C	C	.	.	H	α-helix	trans	-90.1	-22.6	-177.3	70.1	-175.6	0	0	0	113.7	L157 I161 L192 L196 I211 L223 A224 F234	L157-I227 HydrophobicContact CD2-CD1 4.3Å; I161-I227 HydrophobicContact CD1-CD1 3.88Å; L192-I227 HydrophobicContact CD1-CG2 4.43Å; L192-I227 HydrophobicContact CD2-CG2 3.67Å; L196-I227 HydrophobicContact CD2-CB 4.47Å; L196-I227 HydrophobicContact CD2-CG2 4.03Å; I211-I227 HydrophobicContact CD1-CD1 4.32Å; L223-I227 WeakPolarHBondContact O-CG1 3.45Å; L223-I227 PolarHBondContact O-N 2.84Å; A224-I227 PolarHBondContact O-N 3.32Å; I227-F234 HydrophobicContact CD1-CD2 4.28Å; I227-F234 HydrophobicContact CD1-CE2 3.64Å; I227-F234 HydrophobicContact CD1-CZ 4.35Å; I227-F234 HydrophobicContact CG1-CD2 4.4Å; I227-F234 HydrophobicContact CG1-CE2 4Å
228	D	95.3	Very high	91.8	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.032	20%	0.195	C	C	.	.			trans	-135.7	63	175.7	-171.9	14.9	0	0	0	112	A224 K230 R231 R232 Y233 F234	A224-D228 CarbonylContact O-C 3.6Å; A224-D228 WeakPolarHBondContact O-CA 3.31Å; A224-D228 PolarHBondContact O-N 3.09Å; D228-K230 PolarHBondContact O-N 2.94Å; D228-R231 PolarHBondContact O-N 3.48Å; D228-R231 WeakPolarHBondContact OD1-CA 3.38Å; D228-R231 PolarHBondContact OD1-N 3.31Å; D228-R231 VanDerWaalsContact OD1-N 3.1Å; D228-R231 VanDerWaalsContact OD2-CA 3.28Å; D228-R231 WeakPolarHBondContact OD2-CA 3.5Å; D228-R232 VanDerWaalsContact CG-N 3.27Å; D228-R232 PolarHBondContact OD1-N 2.93Å; D228-R232 PolarHBondContact OD2-N 2.72Å; D228-Y233 HydrophobicContact CB-CD2 3.82Å; D228-Y233 HydrophobicContact CB-CG 4.42Å; D228-Y233 PolarHBondContact OD1-N 3.47Å; D228-Y233 WeakPolarHBondContact OD2-CA 3.26Å; D228-Y233 WeakPolarHBondContact OD2-CB 3.34Å; D228-Y233 PolarHBondContact OD2-N 2.9Å; D228-F234 HydrophobicContact CB-CD2 4.03Å; D228-F234 PolarHBondContact OD2-N 2.73Å
229	P	93.4	Very high	91.7	Very high	102 Å²	102	36.6 Å²	36.6	66%	0.662	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-5.9	-178.6	-17.3	29.1	0	0	0	114.7	S225	S225-P229 WeakPolarHBondContact O-CA 3.48Å; S225-P229 WeakPolarHBondContact O-CG 3.2Å
230	K	91.9	Very high	91.6	Very high	156 Å²	156	36.4 Å²	36.4	68%	0.678	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	5.9	-179	-66	171.5	-175.2	162.3	0	112.4	D228 R232	D228-K230 PolarHBondContact O-N 2.94Å; K230-R232 HydrophobicContact CB-CG 3.71Å; K230-R232 PolarHBondContact O-N 3.49Å; K230-R232 VanDerWaalsContact O-N 3.11Å
231	R	89.6	Confident	91.3	Very high	64 Å²	64	39.5 Å²	39.5	24%	0.242	19%	0.192	C	C	.	.	S	Bend	trans	51	30	-178.3	-72.8	-172.4	-177.2	-88	9.5	114	D228 S235 D1127	D228-R231 PolarHBondContact O-N 3.48Å; D228-R231 WeakPolarHBondContact OD1-CA 3.38Å; D228-R231 PolarHBondContact OD1-N 3.31Å; D228-R231 VanDerWaalsContact OD1-N 3.1Å; D228-R231 VanDerWaalsContact OD2-CA 3.28Å; D228-R231 WeakPolarHBondContact OD2-CA 3.5Å; R231-S235 PolarHBondContact NH1-O 2.76Å; R231-S235 WeakPolarHBondContact O-CA 3.42Å; R231-S235 WeakPolarHBondContact O-CB 3.46Å; R231-S235 PolarHBondContact O-OG 3.17Å; R231-D1127 IonicContact CZ-OD1 3.02Å; R231-D1127 IonicContact CZ-OD2 2.69Å; R231-D1127 IonicContact NE-OD2 2.71Å; R231-D1127 PolarHBondContact NE-OD2 3.32Å; R231-D1127 IonicContact NH2-OD1 3.87Å; R231-D1127 PolarHBondContact NH2-OD1 2.8Å; R231-D1127 IonicContact NH2-OD2 2.73Å; R231-D1127 PolarHBondContact NH2-OD2 2.87Å; R231-D1127 VanDerWaalsContact NH2-OD2 3.13Å
232	R	92.4	Very high	90.9	Very high	109 Å²	109	43.1 Å²	43.1	41%	0.411	21%	0.212	S	C	.	.	S	Bend	trans	-81.7	-34.6	-176.9	-61.6	-170.6	-58.5	148	-5.8	114.3	D201 D228 K230	D201-R232 VanDerWaalsContact CG-NH2 3.29Å; D201-R232 IonicContact OD1-CZ 3.5Å; D201-R232 VanDerWaalsContact OD1-CZ 3.26Å; D201-R232 IonicContact OD1-NH1 3.39Å; D201-R232 PolarHBondContact OD1-NH1 3.48Å; D201-R232 IonicContact OD1-NH2 3.86Å; D201-R232 PolarHBondContact OD1-NH2 3.2Å; D201-R232 IonicContact OD2-CZ 2.8Å; D201-R232 IonicContact OD2-NH1 3.63Å; D201-R232 IonicContact OD2-NH2 3.84Å; D201-R232 PolarHBondContact OD2-NH2 3.44Å; D228-R232 VanDerWaalsContact CG-N 3.27Å; D228-R232 PolarHBondContact OD1-N 2.93Å; D228-R232 PolarHBondContact OD2-N 2.72Å; K230-R232 HydrophobicContact CB-CG 3.71Å; K230-R232 PolarHBondContact O-N 3.49Å; K230-R232 VanDerWaalsContact O-N 3.11Å
233	Y	93.7	Very high	90.2	Very high	6 Å²	6	41.2 Å²	41.2	2%	0.024	20%	0.203	C	C	.	.	S	Bend	trans	-94.6	-52.9	-169.8	-56.3	-35.2	0	0	0	111	E197 L200 D201 M209 D228 R237	E197-Y233 PolarHBondContact O-OH 3.49Å; L200-Y233 HydrophobicContact CB-CD1 4.13Å; L200-Y233 HydrophobicContact CB-CD2 3.72Å; L200-Y233 HydrophobicContact CB-CE1 3.99Å; L200-Y233 HydrophobicContact CB-CE2 3.54Å; L200-Y233 HydrophobicContact CB-CG 4Å; L200-Y233 HydrophobicContact CD1-CD2 3.66Å; L200-Y233 HydrophobicContact CD1-CE2 3.79Å; L200-Y233 HydrophobicContact CD1-CG 4.48Å; L200-Y233 HydrophobicContact CG-CD2 4.25Å; L200-Y233 HydrophobicContact CG-CE2 4.31Å; D201-Y233 HydrophobicContact CB-CE1 4.38Å; D201-Y233 VanDerWaalsContact CG-OH 3.23Å; D201-Y233 PolarHBondContact OD2-OH 3.45Å; D201-Y233 VanDerWaalsContact OD2-OH 3.09Å; M209-Y233 HydrophobicContact CE-CD1 4.12Å; M209-Y233 HydrophobicContact CE-CG 4.15Å; D228-Y233 HydrophobicContact CB-CD2 3.82Å; D228-Y233 HydrophobicContact CB-CG 4.42Å; D228-Y233 PolarHBondContact OD1-N 3.47Å; D228-Y233 WeakPolarHBondContact OD2-CA 3.26Å; D228-Y233 WeakPolarHBondContact OD2-CB 3.34Å; D228-Y233 PolarHBondContact OD2-N 2.9Å; Y233-R237 PolarHBondContact O-NH2 3.5Å
234	F	91.9	Very high	89.4	Confident	2 Å²	2	42 Å²	42	1%	0.009	21%	0.208	C	C	.	.	S	Bend	trans	-111	-29.3	-173.4	-54.4	-71.6	0	0	0	111.9	V155 L200 M209 I211 I227 D228 Q236 R237	V155-F234 HydrophobicContact CB-CE1 4.26Å; V155-F234 HydrophobicContact CG2-CE1 4.2Å; L200-F234 HydrophobicContact CD1-CE2 4.09Å; L200-F234 HydrophobicContact CD1-CZ 4.35Å; L200-F234 HydrophobicContact CD2-CE2 4.3Å; L200-F234 HydrophobicContact CD2-CZ 3.79Å; M209-F234 HydrophobicContact CB-CD1 3.9Å; M209-F234 HydrophobicContact CB-CE1 3.74Å; I211-F234 HydrophobicContact CD1-CB 4.25Å; I211-F234 HydrophobicContact CD1-CD1 4.23Å; I211-F234 HydrophobicContact CD1-CD2 3.94Å; I211-F234 HydrophobicContact CD1-CE2 4.33Å; I211-F234 HydrophobicContact CD1-CG 3.88Å; I211-F234 HydrophobicContact CG1-CB 4.33Å; I211-F234 HydrophobicContact CG1-CD1 3.6Å; I211-F234 HydrophobicContact CG1-CD2 4.18Å; I211-F234 HydrophobicContact CG1-CE1 3.82Å; I211-F234 HydrophobicContact CG1-CE2 4.4Å; I211-F234 HydrophobicContact CG1-CG 3.77Å; I211-F234 HydrophobicContact CG1-CZ 4.22Å; I227-F234 HydrophobicContact CD1-CD2 4.28Å; I227-F234 HydrophobicContact CD1-CE2 3.64Å; I227-F234 HydrophobicContact CD1-CZ 4.35Å; I227-F234 HydrophobicContact CG1-CD2 4.4Å; I227-F234 HydrophobicContact CG1-CE2 4Å; D228-F234 HydrophobicContact CB-CD2 4.03Å; D228-F234 PolarHBondContact OD2-N 2.73Å; F234-Q236 PolarHBondContact O-N 2.8Å; F234-R237 VanDerWaalsContact O-CB 3.25Å; F234-R237 WeakPolarHBondContact O-CB 3.44Å; F234-R237 PolarHBondContact O-N 3.38Å; F234-R237 PolarHBondContact O-NE 3.11Å; F234-R237 PolarHBondContact O-NH2 3.4Å
235	S	86.6	Confident	88.6	Confident	28 Å²	28	47.1 Å²	47.1	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-99.1	178.6	-41.5	0	0	0	0	112.4	R231 R237	R231-S235 PolarHBondContact NH1-O 2.76Å; R231-S235 WeakPolarHBondContact O-CA 3.42Å; R231-S235 WeakPolarHBondContact O-CB 3.46Å; R231-S235 PolarHBondContact O-OG 3.17Å; S235-R237 PolarHBondContact OG-NH1 2.91Å; S235-R237 PolarHBondContact OG-NH2 2.68Å
236	Q	78.9	Confident	88	Confident	32 Å²	32	46.8 Å²	46.8	15%	0.15	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	8.2	173.6	83.1	-64.9	2.5	0	0	113.2	F234 I238 G1119	F234-Q236 PolarHBondContact O-N 2.8Å; Q236-I238 VanDerWaalsContact C-N 3.26Å; Q236-I238 PolarHBondContact O-N 3.47Å; Q236-G1119 VanDerWaalsContact NE2-CA 3.33Å
237	R	89.1	Confident	87.1	Confident	43 Å²	43	48 Å²	48	16%	0.162	23%	0.233	C	C	.	.			trans	-80.9	69.3	-179.4	-63.5	173.3	-66	-75.2	-2	110.5	M209 H210 I211 Y233 F234 S235	M209-R237 PolarHBondContact O-NE 2.91Å; H210-R237 CarbonylContact C-O 3.46Å; H210-R237 WeakPolarHBondContact CA-O 3.24Å; H210-R237 HydrophobicContact CB-CB 4.17Å; I211-R237 PolarHBondContact N-O 3.13Å; Y233-R237 PolarHBondContact O-NH2 3.5Å; F234-R237 VanDerWaalsContact O-CB 3.25Å; F234-R237 WeakPolarHBondContact O-CB 3.44Å; F234-R237 PolarHBondContact O-N 3.38Å; F234-R237 PolarHBondContact O-NE 3.11Å; F234-R237 PolarHBondContact O-NH2 3.4Å; S235-R237 PolarHBondContact OG-NH1 2.91Å; S235-R237 PolarHBondContact OG-NH2 2.68Å
238	I	89.2	Confident	86.2	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.8	-179.4	-53.1	-179.6	0	0	0	108.4	I211 A220 A224 Q236	I211-I238 HydrophobicContact CB-CB 4.5Å; I211-I238 HydrophobicContact CB-CG1 4.35Å; I211-I238 HydrophobicContact CB-CG2 4.23Å; I211-I238 HydrophobicContact CD1-CD1 4.46Å; I211-I238 HydrophobicContact CD1-CG1 4.28Å; I211-I238 HydrophobicContact CG2-CG2 4.14Å; A220-I238 HydrophobicContact CB-CG2 3.89Å; A224-I238 HydrophobicContact CB-CD1 3.58Å; Q236-I238 VanDerWaalsContact C-N 3.26Å; Q236-I238 PolarHBondContact O-N 3.47Å
239	L	89.6	Confident	85.7	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.4	165.9	-172.5	76.4	0	0	0	107.8	H122 I211 C212 T213 E243 N253 L257	H122-L239 HydrophobicContact CB-CB 4.17Å; H122-L239 HydrophobicContact CB-CD1 3.75Å; I211-L239 PolarHBondContact O-N 2.75Å; C212-L239 WeakPolarHBondContact CA-O 3.32Å; T213-L239 PolarHBondContact N-O 3.28Å; L239-E243 HydrophobicContact CD1-CB 3.8Å; L239-N253 HydrophobicContact CD2-CB 3.81Å; L239-L257 HydrophobicContact CD2-CD1 4.35Å
240	S	90.5	Very high	85.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.			trans	-107.5	-178.9	177.1	85.9	0	0	0	0	110.8	T213 G215 R217 D242 E243 C244	T213-S240 CarbonylContact O-C 3.48Å; T213-S240 VanDerWaalsContact O-C 3.27Å; T213-S240 WeakPolarHBondContact O-CA 3.44Å; G215-S240 WeakPolarHBondContact O-CB 3.4Å; R217-S240 WeakPolarHBondContact CA-OG 3.29Å; R217-S240 PolarHBondContact N-OG 2.79Å; S240-D242 PolarHBondContact O-N 2.74Å; S240-D242 PolarHBondContact OG-N 2.76Å; S240-D242 VanDerWaalsContact OG-N 3.09Å; S240-E243 WeakPolarHBondContact CA-OE2 3.3Å; S240-E243 VanDerWaalsContact CB-OE2 3.22Å; S240-E243 WeakPolarHBondContact CB-OE2 3.29Å; S240-E243 PolarHBondContact N-OE2 3.09Å; S240-E243 PolarHBondContact O-N 3.03Å; S240-E243 PolarHBondContact OG-OE2 3.47Å; S240-C244 PolarHBondContact O-N 3.11Å; S240-C244 PolarHBondContact O-SG 2.99Å
241	R	87.5	Confident	85.5	Confident	65 Å²	65	41.1 Å²	41.1	25%	0.245	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.5	170.5	172.9	166.6	53.4	-144.3	-17	112.5	T213 F214 G215 E243 C244 N297	T213-R241 PolarHBondContact O-N 3.02Å; F214-R241 HydrophobicContact CD1-CB 4.43Å; F214-R241 WeakPolarHBondContact O-CB 3.47Å; F214-R241 PolarHBondContact O-NE 3.11Å; F214-R241 PolarHBondContact O-NH1 3.42Å; F214-R241 VanDerWaalsContact O-NH1 3.09Å; F214-R241 PolarHBondContact O-NH2 3.31Å; F214-R241 VanDerWaalsContact O-NH2 3.08Å; G215-R241 WeakPolarHBondContact O-CB 3.42Å; G215-R241 PolarHBondContact O-N 2.76Å; R241-E243 VanDerWaalsContact C-N 3.27Å; R241-E243 PolarHBondContact O-N 2.94Å; R241-C244 PolarHBondContact O-N 3.1Å; R241-N297 PolarHBondContact NH1-O 2.98Å; R241-N297 PolarHBondContact NH2-OD1 2.85Å; R241-N297 VanDerWaalsContact NH2-OD1 3.08Å
242	D	83.1	Confident	85.2	Confident	92 Å²	92	40 Å²	40	49%	0.492	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19	-171.8	-53	-15	0	0	0	111.9	N216 R217 S240	N216-D242 WeakPolarHBondContact CB-OD1 3.41Å; N216-D242 WeakPolarHBondContact CB-OD2 3.44Å; R217-D242 HydrophobicContact CB-CB 4.48Å; R217-D242 WeakPolarHBondContact CB-OD2 3.24Å; R217-D242 PolarHBondContact N-OD2 3.33Å; S240-D242 PolarHBondContact O-N 2.74Å; S240-D242 PolarHBondContact OG-N 2.76Å; S240-D242 VanDerWaalsContact OG-N 3.09Å
243	E	80.6	Confident	84.8	Confident	22 Å²	22	35 Å²	35	10%	0.103	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	1.7	174.8	-47.8	90.2	-179.2	0	0	113.4	H122 P125 R217 L239 S240 R241	H122-E243 WeakPolarHBondContact O-CG 3.37Å; P125-E243 HydrophobicContact CG-CG 4.07Å; R217-E243 WeakPolarHBondContact CD-OE1 3.3Å; R217-E243 IonicContact CZ-OE1 2.77Å; R217-E243 IonicContact NE-OE1 2.8Å; R217-E243 IonicContact NH1-OE1 3.37Å; R217-E243 PolarHBondContact NH1-OE1 3.47Å; L239-E243 HydrophobicContact CD1-CB 3.8Å; S240-E243 WeakPolarHBondContact CA-OE2 3.3Å; S240-E243 VanDerWaalsContact CB-OE2 3.22Å; S240-E243 WeakPolarHBondContact CB-OE2 3.29Å; S240-E243 PolarHBondContact N-OE2 3.09Å; S240-E243 PolarHBondContact O-N 3.03Å; S240-E243 PolarHBondContact OG-OE2 3.47Å; R241-E243 VanDerWaalsContact C-N 3.27Å; R241-E243 PolarHBondContact O-N 2.94Å
244	C	78.7	Confident	84.5	Confident	17 Å²	17	35.6 Å²	35.6	12%	0.115	19%	0.193	C	C	.	.			trans	-72.8	124.5	174.8	-81.8	0	0	0	0	111.5	S240 R241 N246 N253	S240-C244 PolarHBondContact O-N 3.11Å; S240-C244 PolarHBondContact O-SG 2.99Å; R241-C244 PolarHBondContact O-N 3.1Å; C244-N246 PolarHBondContact O-N 2.87Å; C244-N246 VanDerWaalsContact O-N 3.08Å; C244-N253 WeakPolarHBondContact CA-OD1 3.48Å
245	F	77.9	Confident	83.9	Confident	117 Å²	117	42.8 Å²	42.8	51%	0.513	22%	0.224	S	C	.	.	S	Bend	trans	-62	-18.4	175.6	-52.8	-42.3	0	0	0	114.3	P119 A252 N253 A256	P119-F245 HydrophobicContact CG-CE1 3.93Å; P119-F245 HydrophobicContact CG-CZ 3.77Å; F245-A252 HydrophobicContact CB-CB 4.28Å; F245-N253 HydrophobicContact CD2-CB 4.46Å; F245-N253 WeakPolarHBondContact CD2-OD1 3.24Å; F245-N253 PolarHBondContact N-OD1 2.79Å; F245-A256 HydrophobicContact CE2-CB 3.57Å; F245-A256 HydrophobicContact CZ-CB 3.69Å
246	N	78.4	Confident	83.4	Confident	57 Å²	57	42.2 Å²	42.2	31%	0.305	22%	0.221	S	C	.	.			trans	-138.9	128.1	177.2	-173.1	-63	0	0	0	109.5	C244 V248 T249 A252	C244-N246 PolarHBondContact O-N 2.87Å; C244-N246 VanDerWaalsContact O-N 3.08Å; N246-V248 VanDerWaalsContact C-N 3.27Å; N246-V248 PolarHBondContact O-N 2.78Å; N246-V248 WeakPolarHBondContact OD1-CA 3.4Å; N246-V248 PolarHBondContact OD1-N 3.23Å; N246-T249 HydrophobicContact CB-CG2 4.07Å; N246-T249 PolarHBondContact OD1-N 2.83Å; N246-A252 HydrophobicContact CB-CB 3.71Å
247	P	74.7	Confident	83.3	Confident	64 Å²	64	41.7 Å²	41.7	42%	0.416	22%	0.219	S	C	.	.	S	Bend	trans	-75	-10.8	-176.9	28.2	-33.8	0	0	0	114.5	F214 F299	F214-P247 WeakPolarHBondContact CE1-O 3.38Å; P247-F299 HydrophobicContact CB-CE1 4.35Å; P247-F299 HydrophobicContact CB-CE2 3.78Å; P247-F299 HydrophobicContact CB-CZ 3.58Å; P247-F299 WeakPolarHBondContact O-CD2 3.28Å; P247-F299 WeakPolarHBondContact O-CE2 3.27Å
248	V	77	Confident	83.1	Confident	81 Å²	81	40.7 Å²	40.7	49%	0.491	22%	0.216	S	C	.	.	S	Bend	trans	-109.3	-35	-175.1	-175.3	0	0	0	0	112.5	F214 N246	F214-V248 WeakPolarHBondContact CZ-O 3.36Å; N246-V248 VanDerWaalsContact C-N 3.27Å; N246-V248 PolarHBondContact O-N 2.78Å; N246-V248 WeakPolarHBondContact OD1-CA 3.4Å; N246-V248 PolarHBondContact OD1-N 3.23Å
249	T	85.8	Confident	82.7	Confident	24 Å²	24	42.3 Å²	42.3	15%	0.147	23%	0.227	C	C	.	.			trans	-121.3	125	176.8	172.5	0	0	0	0	112.6	N246 S251 V274 D276	N246-T249 HydrophobicContact CB-CG2 4.07Å; N246-T249 PolarHBondContact OD1-N 2.83Å; T249-S251 PolarHBondContact O-N 3.1Å; T249-S251 VanDerWaalsContact OG1-CB 3.23Å; T249-S251 WeakPolarHBondContact OG1-CB 3.44Å; T249-S251 PolarHBondContact OG1-N 2.78Å; T249-S251 VanDerWaalsContact OG1-N 3.11Å; T249-S251 PolarHBondContact OG1-OG 3.18Å; T249-V274 CarbonylContact C-O 3.6Å; T249-V274 PolarHBondContact OG1-O 2.75Å; T249-D276 PolarHBondContact OG1-OD2 3.41Å
250	K	90.7	Very high	82.4	Confident	3 Å²	3	46.7 Å²	46.7	1%	0.013	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-69.7	-22.6	172.1	-59.5	178.7	-179.6	-179.3	0	111.5	D156 C212 F214 A252 N253 D269 V274 W275	D156-K250 VanDerWaalsContact CG-NZ 3.26Å; D156-K250 IonicContact OD1-NZ 3.63Å; D156-K250 PolarHBondContact OD1-NZ 3.44Å; C212-K250 PolarHBondContact O-NZ 2.87Å; F214-K250 HydrophobicContact CD2-CG 4.43Å; F214-K250 HydrophobicContact CE1-CG 3.96Å; F214-K250 HydrophobicContact CE2-CD 4.47Å; F214-K250 HydrophobicContact CE2-CG 3.84Å; F214-K250 HydrophobicContact CZ-CG 3.56Å; K250-A252 PolarHBondContact O-N 2.96Å; K250-N253 PolarHBondContact O-N 2.38Å; K250-N253 PolarHBondContact O-ND2 2.88Å; K250-D269 IonicContact NZ-OD2 2.71Å; K250-D269 PolarHBondContact NZ-OD2 3.25Å; K250-V274 HydrophobicContact CD-CG2 4.06Å; K250-V274 HydrophobicContact CG-CB 4.39Å; K250-V274 HydrophobicContact CG-CG2 4.43Å; K250-V274 PolarHBondContact N-O 3.47Å; K250-W275 HydrophobicContact CB-CD2 3.96Å; K250-W275 HydrophobicContact CB-CE3 3.82Å; K250-W275 HydrophobicContact CB-CH2 3.6Å; K250-W275 HydrophobicContact CB-CZ2 3.71Å; K250-W275 HydrophobicContact CB-CZ3 3.63Å; K250-W275 HydrophobicContact CD-CD2 4.49Å; K250-W275 HydrophobicContact CD-CH2 4.24Å; K250-W275 HydrophobicContact CD-CZ2 3.54Å; K250-W275 HydrophobicContact CG-CZ2 4.27Å
251	S	88.9	Confident	82.3	Confident	24 Å²	24	48.4 Å²	48.4	17%	0.168	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-56.7	-31.9	179.8	-53.4	0	0	0	0	113.7	T249 N253 L254 W275 D276	T249-S251 PolarHBondContact O-N 3.1Å; T249-S251 VanDerWaalsContact OG1-CB 3.23Å; T249-S251 WeakPolarHBondContact OG1-CB 3.44Å; T249-S251 PolarHBondContact OG1-N 2.78Å; T249-S251 VanDerWaalsContact OG1-N 3.11Å; T249-S251 PolarHBondContact OG1-OG 3.18Å; S251-N253 PolarHBondContact O-N 3.03Å; S251-N253 VanDerWaalsContact O-N 3.13Å; S251-L254 VanDerWaalsContact O-CB 3.29Å; S251-L254 WeakPolarHBondContact O-CB 3.44Å; S251-L254 WeakPolarHBondContact O-CG 3.48Å; S251-L254 PolarHBondContact O-N 2.73Å; S251-W275 VanDerWaalsContact OG-CA 3.22Å; S251-W275 WeakPolarHBondContact OG-CA 3.48Å; S251-W275 PolarHBondContact OG-O 3.45Å; S251-D276 WeakPolarHBondContact CB-OD2 3.22Å; S251-D276 PolarHBondContact OG-OD2 3.04Å
252	A	83.8	Confident	82.6	Confident	42 Å²	42	46.9 Å²	46.9	35%	0.347	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33.9	-178.8	0	0	0	0	0	112.2	F245 N246 K250 L254	F245-A252 HydrophobicContact CB-CB 4.28Å; N246-A252 HydrophobicContact CB-CB 3.71Å; K250-A252 PolarHBondContact O-N 2.96Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.32Å
253	N	84.9	Confident	83.1	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-74.7	-21	-178.4	-50.3	-62.6	0	0	0	113.1	L239 C244 F245 K250 S251 K255 A256 L257	L239-N253 HydrophobicContact CD2-CB 3.81Å; C244-N253 WeakPolarHBondContact CA-OD1 3.48Å; F245-N253 HydrophobicContact CD2-CB 4.46Å; F245-N253 WeakPolarHBondContact CD2-OD1 3.24Å; F245-N253 PolarHBondContact N-OD1 2.79Å; K250-N253 PolarHBondContact O-N 2.38Å; K250-N253 PolarHBondContact O-ND2 2.88Å; S251-N253 PolarHBondContact O-N 3.03Å; S251-N253 VanDerWaalsContact O-N 3.13Å; N253-K255 VanDerWaalsContact C-N 3.26Å; N253-K255 PolarHBondContact O-N 2.84Å; N253-K255 VanDerWaalsContact O-N 3.14Å; N253-A256 PolarHBondContact O-N 3.28Å; N253-L257 HydrophobicContact CB-CD1 3.78Å; N253-L257 WeakPolarHBondContact O-CB 3.28Å; N253-L257 PolarHBondContact O-N 3.11Å
254	L	86.2	Confident	83.9	Confident	18 Å²	18	43.5 Å²	43.5	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-31.3	-169	-72	172.8	0	0	0	114	L154 S251 A252 L257 F258 L262 I267 W275	L154-L254 HydrophobicContact CD1-CD2 3.97Å; S251-L254 VanDerWaalsContact O-CB 3.29Å; S251-L254 WeakPolarHBondContact O-CB 3.44Å; S251-L254 WeakPolarHBondContact O-CG 3.48Å; S251-L254 PolarHBondContact O-N 2.73Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.32Å; L254-L257 HydrophobicContact CD2-CD1 4.36Å; L254-F258 HydrophobicContact CD2-CD2 4.48Å; L254-F258 PolarHBondContact O-N 2.9Å; L254-L262 HydrophobicContact CB-CD2 4.29Å; L254-L262 HydrophobicContact CD1-CD1 4.04Å; L254-L262 HydrophobicContact CD2-CD2 4.03Å; L254-I267 HydrophobicContact CD2-CD1 4.37Å; L254-W275 HydrophobicContact CD1-CE3 4.07Å; L254-W275 HydrophobicContact CD1-CZ3 4.05Å; L254-W275 HydrophobicContact CD2-CE3 4.48Å; L254-W275 HydrophobicContact CD2-CH2 4.48Å; L254-W275 HydrophobicContact CD2-CZ3 3.72Å; L254-W275 HydrophobicContact CG-CE3 4.4Å; L254-W275 HydrophobicContact CG-CZ3 3.87Å
255	K	80.8	Confident	84.8	Confident	153 Å²	153	42.8 Å²	42.8	67%	0.665	24%	0.235	S	C	*	.	H	α-helix	trans	-72.5	-34.1	177.4	-163.7	-164.3	171.5	-157.6	0	112.5	N253 P259	N253-K255 VanDerWaalsContact C-N 3.26Å; N253-K255 PolarHBondContact O-N 2.84Å; N253-K255 VanDerWaalsContact O-N 3.14Å; K255-P259 VanDerWaalsContact O-CA 3.29Å; K255-P259 WeakPolarHBondContact O-CA 3.23Å
256	A	74.9	Confident	85.7	Confident	16 Å²	16	37.2 Å²	37.2	13%	0.132	21%	0.211	C	C	.	.	H	α-helix	trans	-81	-38.6	176.6	0	0	0	0	0	111.8	F245 N253 F258	F245-A256 HydrophobicContact CE2-CB 3.57Å; F245-A256 HydrophobicContact CZ-CB 3.69Å; N253-A256 PolarHBondContact O-N 3.28Å; A256-F258 PolarHBondContact O-N 2.76Å
257	L	77.1	Confident	86.7	Confident	20 Å²	20	34.5 Å²	34.5	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-55.1	-47.4	170.5	-86.8	154.3	0	0	0	112.1	H122 L239 N253 L254	H122-L257 WeakPolarHBondContact CE1-CD2 3.48Å; H122-L257 VanDerWaalsContact NE2-CD2 3.27Å; H122-L257 WeakPolarHBondContact NE2-CD2 3.27Å; L239-L257 HydrophobicContact CD2-CD1 4.35Å; N253-L257 HydrophobicContact CB-CD1 3.78Å; N253-L257 WeakPolarHBondContact O-CB 3.28Å; N253-L257 PolarHBondContact O-N 3.11Å; L254-L257 HydrophobicContact CD2-CD1 4.36Å
258	F	85.7	Confident	87.8	Confident	23 Å²	23	31.8 Å²	31.8	10%	0.101	18%	0.178	C	C	.	.			trans	-138.7	75	-171.7	-52.6	-67	0	0	0	111.1	V152 L154 L254 A256 R260 G261 L262 V265	V152-F258 HydrophobicContact CG1-CE1 4.14Å; V152-F258 HydrophobicContact CG1-CZ 3.79Å; V152-F258 HydrophobicContact CG2-CE1 4.28Å; L154-F258 HydrophobicContact CD1-CE2 4.28Å; L154-F258 HydrophobicContact CD2-CE2 4.14Å; L154-F258 HydrophobicContact CD2-CZ 4.05Å; L254-F258 HydrophobicContact CD2-CD2 4.48Å; L254-F258 PolarHBondContact O-N 2.9Å; A256-F258 PolarHBondContact O-N 2.76Å; F258-R260 PolarHBondContact O-N 2.89Å; F258-R260 VanDerWaalsContact O-N 3.16Å; F258-G261 PolarHBondContact O-N 2.69Å; F258-L262 HydrophobicContact CB-CD2 3.98Å; F258-L262 HydrophobicContact CD2-CD2 3.64Å; F258-L262 HydrophobicContact CG-CD2 4.17Å; F258-V265 HydrophobicContact CD1-CG2 3.96Å; F258-V265 HydrophobicContact CD2-CG1 4.31Å; F258-V265 HydrophobicContact CD2-CG2 3.62Å; F258-V265 HydrophobicContact CE1-CG2 4.04Å; F258-V265 HydrophobicContact CE2-CB 4.43Å; F258-V265 HydrophobicContact CE2-CG1 3.81Å; F258-V265 HydrophobicContact CE2-CG2 3.69Å; F258-V265 HydrophobicContact CG-CG2 3.77Å; F258-V265 HydrophobicContact CZ-CG1 4.31Å; F258-V265 HydrophobicContact CZ-CG2 3.92Å
259	P	79.1	Confident	88.8	Confident	39 Å²	39	28 Å²	28	25%	0.253	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.3	-176.5	22.8	-33.1	0	0	0	112.9	A138 K255 G261	A138-P259 HydrophobicContact CB-CG 3.62Å; K255-P259 VanDerWaalsContact O-CA 3.29Å; K255-P259 WeakPolarHBondContact O-CA 3.23Å; P259-G261 PolarHBondContact O-N 2.9Å
260	R	84.2	Confident	89.2	Confident	100 Å²	100	27.3 Å²	27.3	38%	0.377	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	4.9	174.9	-57.1	-165.8	74	75.3	-1.5	114.9	D135 A138 L139 F258 N263	D135-R260 VanDerWaalsContact OD1-CG 3.26Å; D135-R260 WeakPolarHBondContact OD1-CG 3.49Å; D135-R260 IonicContact OD1-CZ 3.98Å; D135-R260 IonicContact OD1-NH1 2.75Å; D135-R260 PolarHBondContact OD1-NH1 3.16Å; D135-R260 IonicContact OD2-NH1 2.85Å; D135-R260 PolarHBondContact OD2-NH1 3.32Å; A138-R260 HydrophobicContact CB-CG 3.8Å; L139-R260 VanDerWaalsContact N-CD 3.33Å; F258-R260 PolarHBondContact O-N 2.89Å; F258-R260 VanDerWaalsContact O-N 3.16Å; R260-N263 PolarHBondContact O-ND2 3.25Å
261	G	88.1	Confident	89.2	Confident	36 Å²	36	28.8 Å²	28.8	37%	0.371	16%	0.156	S	C	.	.			trans	89.9	170.4	175	0	0	0	0	0	115.1	F258 P259 N263	F258-G261 PolarHBondContact O-N 2.69Å; P259-G261 PolarHBondContact O-N 2.9Å; G261-N263 VanDerWaalsContact C-N 3.26Å; G261-N263 PolarHBondContact O-N 2.98Å; G261-N263 VanDerWaalsContact O-N 3.14Å
262	L	93.1	Very high	89.3	Confident	33 Å²	33	27.7 Å²	27.7	17%	0.173	15%	0.148	C	C	.	.	S	Bend	trans	-88.2	24.7	-162.6	-54.3	177.9	0	0	0	114.4	L254 F258 L264 V265 N280	L254-L262 HydrophobicContact CB-CD2 4.29Å; L254-L262 HydrophobicContact CD1-CD1 4.04Å; L254-L262 HydrophobicContact CD2-CD2 4.03Å; F258-L262 HydrophobicContact CB-CD2 3.98Å; F258-L262 HydrophobicContact CD2-CD2 3.64Å; F258-L262 HydrophobicContact CG-CD2 4.17Å; L262-L264 VanDerWaalsContact C-N 3.26Å; L262-L264 PolarHBondContact O-N 2.87Å; L262-V265 HydrophobicContact CB-CB 4.27Å; L262-V265 HydrophobicContact CB-CG2 4.4Å; L262-V265 HydrophobicContact CD2-CB 4.32Å; L262-V265 HydrophobicContact CD2-CG2 4.07Å; L262-V265 PolarHBondContact O-N 2.68Å; L262-V265 VanDerWaalsContact O-N 3.13Å; L262-N280 PolarHBondContact O-ND2 3.01Å
263	N	95	Very high	89.5	Confident	35 Å²	35	28.5 Å²	28.5	19%	0.187	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.7	-172.1	-57.7	-68.7	0	0	0	113	R260 G261 Y500 L563 H565 V566	R260-N263 PolarHBondContact O-ND2 3.25Å; G261-N263 VanDerWaalsContact C-N 3.26Å; G261-N263 PolarHBondContact O-N 2.98Å; G261-N263 VanDerWaalsContact O-N 3.14Å; N263-Y500 WeakPolarHBondContact O-CE2 3.41Å; N263-L563 HydrophobicContact CB-CD2 3.78Å; N263-L563 HydrophobicContact CB-CG 4.48Å; N263-H565 PolarHBondContact OD1-CD2 3.4Å; N263-V566 WeakPolarHBondContact O-CG2 3.46Å; N263-V566 PolarHBondContact O-N 3.22Å
264	L	96.6	Very high	89.7	Confident	8 Å²	8	28.4 Å²	28.4	4%	0.042	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.4	-176.9	-56.5	179.3	0	0	0	113.9	Q142 L145 L146 L151 V152 L262 Y500	Q142-L264 HydrophobicContact CB-CD1 4.45Å; Q142-L264 HydrophobicContact CG-CD1 3.72Å; Q142-L264 HydrophobicContact CG-CG 4.47Å; L145-L264 HydrophobicContact CB-CD1 3.9Å; L145-L264 HydrophobicContact CD1-CD1 3.88Å; L146-L264 HydrophobicContact CD2-CD2 3.72Å; L146-L264 HydrophobicContact CG-CD1 4.27Å; L146-L264 HydrophobicContact CG-CD2 4.21Å; L151-L264 WeakPolarHBondContact CB-O 3.43Å; L151-L264 HydrophobicContact CD2-CB 4.16Å; L151-L264 HydrophobicContact CD2-CD2 3.93Å; V152-L264 PolarHBondContact N-O 3.2Å; L262-L264 VanDerWaalsContact C-N 3.26Å; L262-L264 PolarHBondContact O-N 2.87Å; L264-Y500 HydrophobicContact CD2-CE1 3.88Å; L264-Y500 WeakPolarHBondContact CD2-OH 3.25Å
265	V	97	Very high	90	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.3	-164.2	-173.9	0	0	0	0	111	V152 L154 F258 L262 I267 N280 V566	V152-V265 HydrophobicContact CB-CG2 4.39Å; L154-V265 HydrophobicContact CD1-CG1 4.23Å; L154-V265 HydrophobicContact CG-CG1 4.06Å; F258-V265 HydrophobicContact CD1-CG2 3.96Å; F258-V265 HydrophobicContact CD2-CG1 4.31Å; F258-V265 HydrophobicContact CD2-CG2 3.62Å; F258-V265 HydrophobicContact CE1-CG2 4.04Å; F258-V265 HydrophobicContact CE2-CB 4.43Å; F258-V265 HydrophobicContact CE2-CG1 3.81Å; F258-V265 HydrophobicContact CE2-CG2 3.69Å; F258-V265 HydrophobicContact CG-CG2 3.77Å; F258-V265 HydrophobicContact CZ-CG1 4.31Å; F258-V265 HydrophobicContact CZ-CG2 3.92Å; L262-V265 HydrophobicContact CB-CB 4.27Å; L262-V265 HydrophobicContact CB-CG2 4.4Å; L262-V265 HydrophobicContact CD2-CB 4.32Å; L262-V265 HydrophobicContact CD2-CG2 4.07Å; L262-V265 PolarHBondContact O-N 2.68Å; L262-V265 VanDerWaalsContact O-N 3.13Å; V265-I267 HydrophobicContact CG1-CG1 4.26Å; V265-N280 PolarHBondContact O-ND2 3.37Å; V265-V566 WeakPolarHBondContact O-CG1 3.39Å
266	C	97.9	Very high	90.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.3	168.1	-166.2	0	0	0	0	109.3	V152 L153 L154 Y207 V566	V152-C266 PolarHBondContact O-N 2.84Å; L153-C266 WeakPolarHBondContact CA-O 3.43Å; L153-C266 HydrophobicContact CD1-CB 3.93Å; L154-C266 PolarHBondContact N-O 2.96Å; Y207-C266 HydrophobicContact CE1-CB 4.03Å; C266-V566 HydrophobicContact CB-CG1 4.15Å
267	I	98.4	Very high	91.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.2	-178.7	-50.9	180	0	0	0	108.8	L154 L254 V265 W275 N280 L281 I282	L154-I267 HydrophobicContact CB-CB 4.48Å; L154-I267 HydrophobicContact CB-CG1 4.25Å; L154-I267 HydrophobicContact CB-CG2 4.25Å; L154-I267 HydrophobicContact CD1-CD1 4.19Å; L154-I267 HydrophobicContact CD1-CG1 4.05Å; L154-I267 HydrophobicContact CG-CG1 4.27Å; L254-I267 HydrophobicContact CD2-CD1 4.37Å; V265-I267 HydrophobicContact CG1-CG1 4.26Å; I267-W275 HydrophobicContact CD1-CD2 4.1Å; I267-W275 HydrophobicContact CD1-CE3 3.89Å; I267-W275 HydrophobicContact CD1-CH2 4.44Å; I267-W275 HydrophobicContact CD1-CZ3 4.08Å; I267-W275 HydrophobicContact CG2-CD2 3.96Å; I267-W275 VanDerWaalsContact CG2-CE2 3.48Å; I267-W275 HydrophobicContact CG2-CG 4.27Å; I267-W275 HydrophobicContact CG2-CH2 4.47Å; I267-W275 HydrophobicContact CG2-CZ2 3.76Å; I267-N280 HydrophobicContact CD1-CB 4.37Å; I267-N280 HydrophobicContact CG1-CB 4.4Å; I267-N280 PolarHBondContact N-O 3.35Å; I267-L281 HydrophobicContact CB-CD1 4.17Å; I267-L281 HydrophobicContact CG2-CD1 3.78Å; I267-I282 PolarHBondContact O-N 3.47Å
268	I	98.4	Very high	92	Very high	7 Å²	7	29 Å²	29	4%	0.036	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.7	166.9	55.6	173.7	0	0	0	110.1	L153 L154 V155 D156 I282 V284 L489 L493	L153-I268 HydrophobicContact CD1-CG1 4.17Å; L153-I268 HydrophobicContact CD1-CG2 4.2Å; L153-I268 HydrophobicContact CD2-CD1 4.26Å; L153-I268 HydrophobicContact CG-CG1 4.45Å; L154-I268 PolarHBondContact O-N 3.38Å; V155-I268 HydrophobicContact CB-CG1 4.36Å; V155-I268 HydrophobicContact CG1-CD1 4.15Å; V155-I268 HydrophobicContact CG1-CG1 4.35Å; V155-I268 HydrophobicContact CG2-CD1 4.08Å; V155-I268 HydrophobicContact CG2-CG1 4.12Å; D156-I268 PolarHBondContact N-O 2.87Å; D156-I268 VanDerWaalsContact N-O 3.16Å; I268-I282 HydrophobicContact CG2-CB 4.1Å; I268-I282 HydrophobicContact CG2-CD1 4.33Å; I268-V284 HydrophobicContact CB-CG1 4.02Å; I268-V284 HydrophobicContact CG2-CG1 4.15Å; I268-L489 HydrophobicContact CD1-CD2 4.22Å; I268-L489 HydrophobicContact CG2-CD1 4.24Å; I268-L489 HydrophobicContact CG2-CD2 4.31Å; I268-L493 HydrophobicContact CG2-CD2 4.49Å
269	D	97.7	Very high	92.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	143.6	-177.1	-157.8	-59.2	0	0	0	108.3	D156 K250 R271 W275 L281 H283 V284	D156-D269 HydrophobicContact CB-CB 4.24Å; D156-D269 WeakPolarHBondContact CB-OD2 3.18Å; K250-D269 IonicContact NZ-OD2 2.71Å; K250-D269 PolarHBondContact NZ-OD2 3.25Å; D269-R271 VanDerWaalsContact C-N 3.26Å; D269-R271 PolarHBondContact OD1-N 3.38Å; D269-W275 VanDerWaalsContact CG-NE1 3.33Å; D269-W275 PolarHBondContact OD2-NE1 3.04Å; D269-L281 HydrophobicContact CB-CD1 3.76Å; D269-H283 WeakPolarHBondContact O-CA 3.37Å; D269-V284 PolarHBondContact O-N 3.27Å
270	D	94.8	Very high	93.3	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.048	16%	0.157	C	C	.	.	S	Bend	trans	-79.3	-13.2	176	94.7	-59.6	0	0	0	112.5	Q159 T160 H283 V284 P286 R288	Q159-D270 HydrophobicContact CB-CB 4.46Å; Q159-D270 WeakPolarHBondContact CB-OD2 3.36Å; T160-D270 PolarHBondContact OG1-N 2.9Å; T160-D270 VanDerWaalsContact OG1-N 3.11Å; D270-H283 PolarHBondContact O-CD2 3.28Å; D270-H283 VanDerWaalsContact O-CD2 3.24Å; D270-H283 PolarHBondContact O-NE2 3.05Å; D270-V284 HydrophobicContact CB-CG2 3.94Å; D270-P286 HydrophobicContact CB-CB 4.19Å; D270-P286 HydrophobicContact CB-CG 4.02Å; D270-P286 WeakPolarHBondContact OD2-CB 3.33Å; D270-P286 VanDerWaalsContact OD2-CG 3.28Å; D270-P286 WeakPolarHBondContact OD2-CG 3.45Å; D270-R288 IonicContact OD2-NH2 2.67Å
271	R	90.7	Very high	93.9	Very high	35 Å²	35	25.8 Å²	25.8	13%	0.132	14%	0.143	C	C	.	.			trans	-113	127.6	-178.4	-71.6	168.6	66.7	-158.2	-13.1	111.2	D269 E273 V274 D295	D269-R271 VanDerWaalsContact C-N 3.26Å; D269-R271 PolarHBondContact OD1-N 3.38Å; R271-E273 WeakPolarHBondContact CB-OE2 3.45Å; R271-E273 IonicContact CZ-OE1 2.62Å; R271-E273 VanDerWaalsContact CZ-OE1 3.24Å; R271-E273 IonicContact NE-OE1 3.75Å; R271-E273 PolarHBondContact NE-OE1 2.95Å; R271-E273 IonicContact NH2-OE1 2.85Å; R271-E273 PolarHBondContact NH2-OE1 3.07Å; R271-V274 HydrophobicContact CB-CG1 4.1Å; R271-V274 HydrophobicContact CB-CG2 3.96Å; R271-D295 IonicContact CZ-OD2 3.67Å; R271-D295 IonicContact NH1-OD2 2.74Å; R271-D295 PolarHBondContact NH1-OD2 3Å
272	G	90.5	Very high	94.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.126	C	C	.	.	S	Bend	trans	-91.5	-28.5	-175.7	0	0	0	0	0	113.9	W275 W277	G272-W275 PolarHBondContact O-N 3.34Å; G272-W277 WeakPolarHBondContact O-CA 3.44Å; G272-W277 PolarHBondContact O-N 3.14Å
273	E	88	Confident	94.5	Very high	59 Å²	59	23.3 Å²	23.3	28%	0.276	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-72.6	-32.9	-178.4	79.3	-65.8	169.5	0	0	112.5	R271 W275 D276	R271-E273 WeakPolarHBondContact CB-OE2 3.45Å; R271-E273 IonicContact CZ-OE1 2.62Å; R271-E273 VanDerWaalsContact CZ-OE1 3.24Å; R271-E273 IonicContact NE-OE1 3.75Å; R271-E273 PolarHBondContact NE-OE1 2.95Å; R271-E273 IonicContact NH2-OE1 2.85Å; R271-E273 PolarHBondContact NH2-OE1 3.07Å; E273-W275 PolarHBondContact O-N 2.83Å; E273-D276 PolarHBondContact O-N 2.9Å
274	V	89.7	Confident	94.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-68.4	-12.8	177.5	-52.7	0	0	0	0	113.5	F214 T249 K250 R271	F214-V274 HydrophobicContact CD2-CG1 4.35Å; F214-V274 HydrophobicContact CE2-CB 3.85Å; F214-V274 HydrophobicContact CE2-CG1 3.69Å; T249-V274 CarbonylContact C-O 3.6Å; T249-V274 PolarHBondContact OG1-O 2.75Å; K250-V274 HydrophobicContact CD-CG2 4.06Å; K250-V274 HydrophobicContact CG-CB 4.39Å; K250-V274 HydrophobicContact CG-CG2 4.43Å; K250-V274 PolarHBondContact N-O 3.47Å; R271-V274 HydrophobicContact CB-CG1 4.1Å; R271-V274 HydrophobicContact CB-CG2 3.96Å
275	W	92.9	Very high	94.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.008	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-115.2	17.4	174	-67.9	108.1	0	0	0	112.5	L154 C212 K250 S251 L254 I267 D269 G272 E273 W277 S278 L281	L154-W275 HydrophobicContact CD1-CH2 3.63Å; L154-W275 HydrophobicContact CD1-CZ2 4.33Å; L154-W275 HydrophobicContact CD1-CZ3 4.2Å; C212-W275 HydrophobicContact CB-CH2 4.38Å; C212-W275 HydrophobicContact CB-CZ2 4.26Å; C212-W275 VanDerWaalsContact SG-CH2 3.55Å; K250-W275 HydrophobicContact CB-CD2 3.96Å; K250-W275 HydrophobicContact CB-CE3 3.82Å; K250-W275 HydrophobicContact CB-CH2 3.6Å; K250-W275 HydrophobicContact CB-CZ2 3.71Å; K250-W275 HydrophobicContact CB-CZ3 3.63Å; K250-W275 HydrophobicContact CD-CD2 4.49Å; K250-W275 HydrophobicContact CD-CH2 4.24Å; K250-W275 HydrophobicContact CD-CZ2 3.54Å; K250-W275 HydrophobicContact CG-CZ2 4.27Å; S251-W275 VanDerWaalsContact OG-CA 3.22Å; S251-W275 WeakPolarHBondContact OG-CA 3.48Å; S251-W275 PolarHBondContact OG-O 3.45Å; L254-W275 HydrophobicContact CD1-CE3 4.07Å; L254-W275 HydrophobicContact CD1-CZ3 4.05Å; L254-W275 HydrophobicContact CD2-CE3 4.48Å; L254-W275 HydrophobicContact CD2-CH2 4.48Å; L254-W275 HydrophobicContact CD2-CZ3 3.72Å; L254-W275 HydrophobicContact CG-CE3 4.4Å; L254-W275 HydrophobicContact CG-CZ3 3.87Å; I267-W275 HydrophobicContact CD1-CD2 4.1Å; I267-W275 HydrophobicContact CD1-CE3 3.89Å; I267-W275 HydrophobicContact CD1-CH2 4.44Å; I267-W275 HydrophobicContact CD1-CZ3 4.08Å; I267-W275 HydrophobicContact CG2-CD2 3.96Å; I267-W275 VanDerWaalsContact CG2-CE2 3.48Å; I267-W275 HydrophobicContact CG2-CG 4.27Å; I267-W275 HydrophobicContact CG2-CH2 4.47Å; I267-W275 HydrophobicContact CG2-CZ2 3.76Å; D269-W275 VanDerWaalsContact CG-NE1 3.33Å; D269-W275 PolarHBondContact OD2-NE1 3.04Å; G272-W275 PolarHBondContact O-N 3.34Å; E273-W275 PolarHBondContact O-N 2.83Å; W275-W277 PolarHBondContact O-N 2.83Å; W275-S278 WeakPolarHBondContact O-CB 3.47Å; W275-S278 PolarHBondContact O-N 3.08Å; W275-L281 HydrophobicContact CB-CD2 4.25Å
276	D	90.8	Very high	94.2	Very high	107 Å²	107	24.8 Å²	24.8	57%	0.572	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	27.2	-178.1	-63	-84.7	0	0	0	113.9	T249 S251 E273 S278	T249-D276 PolarHBondContact OG1-OD2 3.41Å; S251-D276 WeakPolarHBondContact CB-OD2 3.22Å; S251-D276 PolarHBondContact OG-OD2 3.04Å; E273-D276 PolarHBondContact O-N 2.9Å; D276-S278 VanDerWaalsContact C-N 3.3Å; D276-S278 PolarHBondContact O-N 2.97Å
277	W	89.9	Confident	94	Very high	85 Å²	85	24.9 Å²	24.9	32%	0.322	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	39.5	-170	-61.6	88.5	0	0	0	114.1	G272 W275 H283 L600	G272-W277 WeakPolarHBondContact O-CA 3.44Å; G272-W277 PolarHBondContact O-N 3.14Å; W275-W277 PolarHBondContact O-N 2.83Å; W277-H283 AromaticContact CH2-ND1 3.86Å; W277-H283 HydrophobicContact CZ3-CB 4.5Å; W277-H283 AromaticContact CZ3-ND1 3.67Å; W277-L600 HydrophobicContact CH2-CD1 3.4Å; W277-L600 HydrophobicContact CH2-CD2 4.28Å; W277-L600 HydrophobicContact CH2-CG 4.49Å; W277-L600 HydrophobicContact CZ2-CD1 3.92Å; W277-L600 HydrophobicContact CZ3-CD1 3.77Å
278	S	93.8	Very high	93.6	Very high	26 Å²	26	31.9 Å²	31.9	18%	0.182	15%	0.154	C	C	.	.			trans	-44.8	139.3	176.2	174.9	0	0	0	0	113.3	W275 D276 N280 L281	W275-S278 WeakPolarHBondContact O-CB 3.47Å; W275-S278 PolarHBondContact O-N 3.08Å; D276-S278 VanDerWaalsContact C-N 3.3Å; D276-S278 PolarHBondContact O-N 2.97Å; S278-N280 PolarHBondContact O-N 3.3Å; S278-N280 VanDerWaalsContact O-N 3.08Å; S278-N280 PolarHBondContact OG-N 3.2Å; S278-L281 WeakPolarHBondContact O-CB 3.33Å; S278-L281 PolarHBondContact O-N 3.01Å; S278-L281 VanDerWaalsContact O-N 3.09Å
279	S	95.1	Very high	93.3	Very high	75 Å²	75	31.6 Å²	31.6	52%	0.524	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.2	179.5	63.2	0	0	0	0	114.3	S567	S279-S567 VanDerWaalsContact C-CB 3.47Å; S279-S567 WeakPolarHBondContact O-CB 3.14Å; S279-S567 WeakPolarHBondContact OG-CB 3.25Å; S279-S567 PolarHBondContact OG-OG 3.48Å
280	N	97.1	Very high	92.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.011	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.2	179.8	-64.3	59.5	0	0	0	112.5	L262 V265 I267 S278 H565	L262-N280 PolarHBondContact O-ND2 3.01Å; V265-N280 PolarHBondContact O-ND2 3.37Å; I267-N280 HydrophobicContact CD1-CB 4.37Å; I267-N280 HydrophobicContact CG1-CB 4.4Å; I267-N280 PolarHBondContact N-O 3.35Å; S278-N280 PolarHBondContact O-N 3.3Å; S278-N280 VanDerWaalsContact O-N 3.08Å; S278-N280 PolarHBondContact OG-N 3.2Å; N280-H565 PolarHBondContact ND2-CE1 3.46Å; N280-H565 PolarHBondContact OD1-CE1 3.15Å
281	L	97.3	Very high	92.2	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.7	-179	177.8	65.8	0	0	0	112.6	I267 D269 W275 S278 H283	I267-L281 HydrophobicContact CB-CD1 4.17Å; I267-L281 HydrophobicContact CG2-CD1 3.78Å; D269-L281 HydrophobicContact CB-CD1 3.76Å; W275-L281 HydrophobicContact CB-CD2 4.25Å; S278-L281 WeakPolarHBondContact O-CB 3.33Å; S278-L281 PolarHBondContact O-N 3.01Å; S278-L281 VanDerWaalsContact O-N 3.09Å; L281-H283 HydrophobicContact CD2-CB 4.25Å; L281-H283 HydrophobicContact CG-CB 4.4Å
282	I	97.8	Very high	91.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	96.4	157.8	-50.6	175.7	0	0	0	106.9	I267 I268 V284 L489 I492 L493 I496 I570 W715	I267-I282 PolarHBondContact O-N 3.47Å; I268-I282 HydrophobicContact CG2-CB 4.1Å; I268-I282 HydrophobicContact CG2-CD1 4.33Å; I282-V284 WeakPolarHBondContact O-CG1 3.49Å; I282-V284 PolarHBondContact O-N 3.38Å; I282-V284 VanDerWaalsContact O-N 3.12Å; I282-L489 HydrophobicContact CG2-CD1 4.06Å; I282-I492 HydrophobicContact CD1-CG2 4.33Å; I282-L493 HydrophobicContact CD1-CD2 3.67Å; I282-L493 HydrophobicContact CD1-CG 4.4Å; I282-I496 HydrophobicContact CD1-CD1 3.42Å; I282-I496 VanDerWaalsContact CD1-CD1 3.42Å; I282-I496 HydrophobicContact CG1-CD1 4.31Å; I282-I570 HydrophobicContact CG1-CD1 4.26Å; I282-W715 HydrophobicContact CD1-CZ2 4.46Å; I282-W715 HydrophobicContact CG1-CZ2 4.13Å; I282-W715 HydrophobicContact CG2-CZ2 4.1Å
283	H	95.7	Very high	91.5	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	108.3	174	163.1	-156.5	0	0	0	108.7	D269 D270 W277 L281 H712 Y713	D269-H283 WeakPolarHBondContact O-CA 3.37Å; D270-H283 PolarHBondContact O-CD2 3.28Å; D270-H283 VanDerWaalsContact O-CD2 3.24Å; D270-H283 PolarHBondContact O-NE2 3.05Å; W277-H283 AromaticContact CH2-ND1 3.86Å; W277-H283 HydrophobicContact CZ3-CB 4.5Å; W277-H283 AromaticContact CZ3-ND1 3.67Å; L281-H283 HydrophobicContact CD2-CB 4.25Å; L281-H283 HydrophobicContact CG-CB 4.4Å; H283-H712 VanDerWaalsContact CB-CE1 3.46Å; H283-H712 WeakPolarHBondContact CB-CE1 3.32Å; H283-H712 WeakPolarHBondContact CB-NE2 3.47Å; H283-H712 AromaticContact CD2-NE2 3.26Å; H283-H712 PolarHBondContact CD2-NE2 2.94Å; H283-H712 VanDerWaalsContact CD2-NE2 3.26Å; H283-H712 AromaticContact CE1-NE2 2.96Å; H283-H712 PolarHBondContact CE1-NE2 2.94Å; H283-H712 AromaticContact CG-CE1 3.93Å; H283-H712 AromaticContact CG-NE2 2.61Å; H283-H712 AromaticContact ND1-CE1 3.87Å; H283-H712 AromaticContact ND1-NE2 2.4Å; H283-H712 PolarHBondContact ND1-NE2 2.98Å; H283-H712 AromaticContact NE2-NE2 3.39Å; H283-H712 PolarHBondContact NE2-NE2 3.45Å; H283-H712 PolarHBondContact O-CE1 3.08Å; H283-H712 PolarHBondContact O-NE2 3.29Å; H283-Y713 AromaticContact CD2-CE1 4Å; H283-Y713 AromaticContact NE2-CE1 3.72Å; H283-Y713 PolarHBondContact NE2-OH 3.05Å
284	V	95.8	Very high	91.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-85.4	165.4	-175.4	-55.5	0	0	0	0	112.3	T160 I268 D269 D270 I282 P286 Y485 L489 Y713	T160-V284 HydrophobicContact CG2-CG2 4.11Å; I268-V284 HydrophobicContact CB-CG1 4.02Å; I268-V284 HydrophobicContact CG2-CG1 4.15Å; D269-V284 PolarHBondContact O-N 3.27Å; D270-V284 HydrophobicContact CB-CG2 3.94Å; I282-V284 WeakPolarHBondContact O-CG1 3.49Å; I282-V284 PolarHBondContact O-N 3.38Å; I282-V284 VanDerWaalsContact O-N 3.12Å; V284-P286 WeakPolarHBondContact O-CD 3.31Å; V284-Y485 HydrophobicContact CB-CE1 4.13Å; V284-L489 HydrophobicContact CG1-CD1 4.07Å; V284-L489 HydrophobicContact CG1-CD2 3.74Å; V284-Y713 WeakPolarHBondContact O-CE1 3.18Å
285	K	93.7	Very high	91.3	Very high	54 Å²	54	43.9 Å²	43.9	24%	0.235	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-66.7	124.3	169.9	177.7	-176.1	168.9	-161.5	0	109.5	R193 Y287 A481 D482 Y485 Y713	R193-K285 VanDerWaalsContact CZ-O 3.27Å; R193-K285 PolarHBondContact NH1-O 2.92Å; R193-K285 PolarHBondContact NH2-O 3.41Å; K285-Y287 PolarHBondContact O-N 3.44Å; K285-A481 PolarHBondContact NZ-O 3.41Å; K285-D482 WeakPolarHBondContact CD-OD1 3.4Å; K285-D482 WeakPolarHBondContact CE-OD1 3.41Å; K285-D482 IonicContact NZ-OD1 2.86Å; K285-D482 PolarHBondContact NZ-OD1 2.91Å; K285-Y485 HydrophobicContact CB-CD1 4.47Å; K285-Y485 HydrophobicContact CB-CD2 4.28Å; K285-Y485 HydrophobicContact CB-CE1 4.01Å; K285-Y485 HydrophobicContact CB-CE2 3.85Å; K285-Y485 HydrophobicContact CD-CD2 4.16Å; K285-Y485 HydrophobicContact CD-CE2 4.45Å; K285-Y485 HydrophobicContact CD-CG 4.46Å; K285-Y485 PolarHBondContact N-OH 3.25Å; K285-Y485 VanDerWaalsContact N-OH 3.17Å; K285-Y713 HydrophobicContact CB-CD1 4.09Å; K285-Y713 HydrophobicContact CB-CD2 3.81Å; K285-Y713 HydrophobicContact CB-CE1 4.37Å; K285-Y713 HydrophobicContact CB-CE2 4.1Å; K285-Y713 HydrophobicContact CB-CG 3.81Å; K285-Y713 HydrophobicContact CG-CD2 4.15Å; K285-Y713 HydrophobicContact CG-CE2 4.27Å
286	P	92.6	Very high	91.2	Very high	21 Å²	21	46.7 Å²	46.7	14%	0.136	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-58.7	124.1	174.7	-27	35.2	0	0	0	112.9	Q159 D270 V284 R288	Q159-P286 HydrophobicContact CB-CB 4.33Å; Q159-P286 CarbonylContact O-C 3.55Å; D270-P286 HydrophobicContact CB-CB 4.19Å; D270-P286 HydrophobicContact CB-CG 4.02Å; D270-P286 WeakPolarHBondContact OD2-CB 3.33Å; D270-P286 VanDerWaalsContact OD2-CG 3.28Å; D270-P286 WeakPolarHBondContact OD2-CG 3.45Å; V284-P286 WeakPolarHBondContact O-CD 3.31Å; P286-R288 HydrophobicContact CB-CG 4.45Å; P286-R288 VanDerWaalsContact CB-CZ 3.44Å; P286-R288 VanDerWaalsContact CB-NH2 3.25Å; P286-R288 PolarHBondContact O-N 3.21Å
287	Y	93.9	Very high	91	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.012	23%	0.227	C	C	.	.			trans	-79.5	111.8	176.3	-175.6	-132.4	0	0	0	110.5	Q159 H163 R191 R193 K285 F289 D482	Q159-Y287 WeakPolarHBondContact O-CB 3.29Å; Q159-Y287 PolarHBondContact O-N 2.97Å; H163-Y287 HydrophobicContact CB-CD1 3.79Å; H163-Y287 HydrophobicContact CB-CE1 4.07Å; R191-Y287 HydrophobicContact CB-CE1 4.47Å; R191-Y287 HydrophobicContact CG-CE1 4.18Å; R191-Y287 WeakPolarHBondContact CG-OH 3.24Å; R193-Y287 HydrophobicContact CB-CD1 3.79Å; R193-Y287 HydrophobicContact CB-CD2 4.48Å; R193-Y287 HydrophobicContact CB-CE1 3.85Å; R193-Y287 HydrophobicContact CB-CG 4.12Å; R193-Y287 HydrophobicContact CG-CD1 3.98Å; R193-Y287 HydrophobicContact CG-CD2 3.82Å; R193-Y287 HydrophobicContact CG-CE1 4.23Å; R193-Y287 HydrophobicContact CG-CE2 4.07Å; R193-Y287 HydrophobicContact CG-CG 3.78Å; K285-Y287 PolarHBondContact O-N 3.44Å; Y287-F289 HydrophobicContact CE1-CB 4.22Å; Y287-F289 HydrophobicContact CE2-CB 4.36Å; Y287-D482 HydrophobicContact CD2-CB 4.33Å; Y287-D482 WeakPolarHBondContact CD2-OD2 3.38Å; Y287-D482 HydrophobicContact CE2-CB 4.34Å
288	R	90.2	Very high	90.5	Very high	147 Å²	147	40 Å²	40	56%	0.555	23%	0.225	S	C	*	.			trans	-126.8	73.7	-175	-66.4	-176.1	-179.7	135.4	11.9	110.8	Q159 D270 P286	Q159-R288 VanDerWaalsContact OE1-CZ 3.27Å; D270-R288 IonicContact OD2-NH2 2.67Å; P286-R288 HydrophobicContact CB-CG 4.45Å; P286-R288 VanDerWaalsContact CB-CZ 3.44Å; P286-R288 VanDerWaalsContact CB-NH2 3.25Å; P286-R288 PolarHBondContact O-N 3.21Å
289	F	90.8	Very high	89	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	22%	0.221	C	C	.	.			trans	-62.7	-72.4	170.7	-173.1	-106.9	0	0	0	110.7	H163 Y173 V176 R191 Y287 P291 M478 D479	H163-F289 HydrophobicContact CB-CB 4.37Å; H163-F289 PolarHBondContact ND1-N 2.98Å; Y173-F289 HydrophobicContact CD1-CE1 4.38Å; Y173-F289 HydrophobicContact CD1-CZ 4.28Å; Y173-F289 HydrophobicContact CD2-CE1 4.22Å; Y173-F289 AromaticContact CG-CE1 3.91Å; Y173-F289 HydrophobicContact CG-CE1 3.91Å; Y173-F289 HydrophobicContact CG-CZ 4.14Å; V176-F289 HydrophobicContact CG2-CE1 3.9Å; R191-F289 HydrophobicContact CB-CB 4.17Å; R191-F289 HydrophobicContact CB-CD1 3.65Å; R191-F289 HydrophobicContact CB-CE1 4.13Å; R191-F289 HydrophobicContact CB-CG 3.9Å; R191-F289 HydrophobicContact CG-CB 4.11Å; R191-F289 HydrophobicContact CG-CD1 3.74Å; R191-F289 HydrophobicContact CG-CD2 3.82Å; R191-F289 HydrophobicContact CG-CE1 4.04Å; R191-F289 HydrophobicContact CG-CE2 4.11Å; R191-F289 HydrophobicContact CG-CG 3.62Å; R191-F289 HydrophobicContact CG-CZ 4.22Å; Y287-F289 HydrophobicContact CE1-CB 4.22Å; Y287-F289 HydrophobicContact CE2-CB 4.36Å; F289-P291 VanDerWaalsContact O-CD 3.25Å; F289-P291 WeakPolarHBondContact O-CD 3.38Å; F289-M478 HydrophobicContact CD1-CE 3.75Å; F289-M478 HydrophobicContact CD2-CB 4.13Å; F289-M478 HydrophobicContact CD2-CE 3.51Å; F289-M478 HydrophobicContact CE1-CE 3.67Å; F289-M478 HydrophobicContact CE2-CB 4.19Å; F289-M478 HydrophobicContact CE2-CE 3.43Å; F289-M478 VanDerWaalsContact CE2-CE 3.43Å; F289-M478 HydrophobicContact CG-CE 3.67Å; F289-M478 HydrophobicContact CZ-CE 3.51Å; F289-M478 WeakPolarHBondContact O-CE 3.42Å; F289-M478 VanDerWaalsContact O-SD 3.41Å; F289-D479 VanDerWaalsContact CE2-OD1 3.3Å; F289-D479 WeakPolarHBondContact CE2-OD1 3.4Å
290	F	90.5	Very high	86.9	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-60.7	118.7	177.5	-53.2	-63.7	0	0	0	112.7	H163 T165 A170 Y173 V176 H189 R191 I293	H163-F290 PolarHBondContact CE1-O 2.88Å; H163-F290 AromaticContact ND1-CD2 3.79Å; H163-F290 PolarHBondContact ND1-N 2.98Å; H163-F290 WeakPolarHBondContact O-CE2 3.22Å; T165-F290 HydrophobicContact CG2-CB 4.37Å; T165-F290 HydrophobicContact CG2-CD1 3.75Å; T165-F290 HydrophobicContact CG2-CD2 3.53Å; T165-F290 HydrophobicContact CG2-CE1 3.83Å; T165-F290 HydrophobicContact CG2-CE2 3.61Å; T165-F290 HydrophobicContact CG2-CG 3.6Å; T165-F290 HydrophobicContact CG2-CZ 3.77Å; A170-F290 HydrophobicContact CB-CD1 4.31Å; A170-F290 HydrophobicContact CB-CE1 3.79Å; A170-F290 HydrophobicContact CB-CZ 4.32Å; Y173-F290 HydrophobicContact CD2-CD1 4.24Å; Y173-F290 AromaticContact CD2-CE1 3.95Å; Y173-F290 HydrophobicContact CD2-CE1 3.95Å; Y173-F290 HydrophobicContact CE2-CD1 4.19Å; Y173-F290 HydrophobicContact CE2-CE1 4.34Å; V176-F290 HydrophobicContact CG1-CZ 4.11Å; V176-F290 HydrophobicContact CG2-CE1 4.13Å; V176-F290 HydrophobicContact CG2-CZ 3.92Å; H189-F290 HydrophobicContact CB-CZ 4.41Å; H189-F290 WeakPolarHBondContact O-CE2 3.44Å; H189-F290 WeakPolarHBondContact O-CZ 3.5Å; R191-F290 HydrophobicContact CB-CE2 4.45Å; R191-F290 HydrophobicContact CB-CZ 4.36Å; F290-I293 HydrophobicContact CB-CB 4.04Å; F290-I293 HydrophobicContact CB-CG1 3.82Å
291	P	80.4	Confident	84.2	Confident	77 Å²	77	45.4 Å²	45.4	50%	0.5	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	150.8	179.8	-23.2	35.4	0	0	0	113.4	F289 I293 M478	F289-P291 VanDerWaalsContact O-CD 3.25Å; F289-P291 WeakPolarHBondContact O-CD 3.38Å; P291-I293 PolarHBondContact O-N 3.44Å; P291-M478 HydrophobicContact CG-SD 3.84Å
292	D	80	Confident	81.5	Confident	155 Å²	155	47.2 Å²	47.2	83%	0.829	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	-2.6	-176.3	-84.9	-49	0	0	0	116.4
293	I	85.8	Confident	78.6	Confident	56 Å²	56	49.3 Å²	49.3	29%	0.287	27%	0.271	S	S	.	.			trans	-87.2	138.5	174.4	-54.9	-57.7	0	0	0	110.6	F290 P291 I296	F290-I293 HydrophobicContact CB-CB 4.04Å; F290-I293 HydrophobicContact CB-CG1 3.82Å; P291-I293 PolarHBondContact O-N 3.44Å; I293-I296 HydrophobicContact CG2-CG2 4.34Å
294	G	86	Confident	75.5	Confident	40 Å²	40	53.9 Å²	53.9	41%	0.412	29%	0.293	S	S	.	.			trans	-106.5	-177.2	172.5	0	0	0	0	0	111.7	I296	G294-I296 PolarHBondContact O-N 3.03Å; G294-I296 VanDerWaalsContact O-N 3.14Å
295	D	88	Confident	72.4	Confident	31 Å²	31	57.5 Å²	57.5	17%	0.166	32%	0.318	C	S	.	.			trans	-50.9	118.7	164.3	168.6	11.8	0	0	0	109.6	Q159 R271 N297 A298	Q159-D295 HydrophobicContact CG-CB 4.49Å; R271-D295 IonicContact CZ-OD2 3.67Å; R271-D295 IonicContact NH1-OD2 2.74Å; R271-D295 PolarHBondContact NH1-OD2 3Å; D295-N297 VanDerWaalsContact C-N 3.29Å; D295-N297 WeakPolarHBondContact OD1-CA 3.15Å; D295-N297 WeakPolarHBondContact OD1-CB 3.44Å; D295-N297 PolarHBondContact OD1-N 2.96Å; D295-A298 HydrophobicContact CB-CB 3.95Å; D295-A298 VanDerWaalsContact CG-N 3.27Å; D295-A298 WeakPolarHBondContact O-CB 3.36Å; D295-A298 PolarHBondContact OD1-N 3.1Å; D295-A298 VanDerWaalsContact OD1-N 3.1Å; D295-A298 WeakPolarHBondContact OD2-CA 3.44Å; D295-A298 VanDerWaalsContact OD2-CB 3.32Å; D295-A298 WeakPolarHBondContact OD2-CB 3.14Å; D295-A298 PolarHBondContact OD2-N 3.29Å
296	I	90.5	Very high	69.2	Low	60 Å²	60	59.7 Å²	59.7	31%	0.308	34%	0.34	S	S	.	.	S	Bend	trans	-79	-13.4	-178.3	60.8	161.7	0	0	0	113	T164 Y188 Y219 I293 G294	T164-I296 HydrophobicContact CG2-CD1 3.64Å; T164-I296 WeakPolarHBondContact O-CG2 3.46Å; Y188-I296 HydrophobicContact CD1-CD1 4.19Å; Y188-I296 HydrophobicContact CE1-CD1 4.23Å; Y219-I296 HydrophobicContact CE2-CD1 4.2Å; I293-I296 HydrophobicContact CG2-CG2 4.34Å; G294-I296 PolarHBondContact O-N 3.03Å; G294-I296 VanDerWaalsContact O-N 3.14Å
297	N	86.7	Confident	66.1	Low	18 Å²	18	64.8 Å²	64.8	10%	0.096	37%	0.373	C	S	.	.	S	Bend	trans	-101.5	-5.9	177	-76	-57.8	0	0	0	112.9	D158 Y219 R241 D295 F299	D158-N297 PolarHBondContact OD2-ND2 3.43Å; Y219-N297 WeakPolarHBondContact CE1-ND2 3.43Å; R241-N297 PolarHBondContact NH1-O 2.98Å; R241-N297 PolarHBondContact NH2-OD1 2.85Å; R241-N297 VanDerWaalsContact NH2-OD1 3.08Å; D295-N297 VanDerWaalsContact C-N 3.29Å; D295-N297 WeakPolarHBondContact OD1-CA 3.15Å; D295-N297 WeakPolarHBondContact OD1-CB 3.44Å; D295-N297 PolarHBondContact OD1-N 2.96Å; N297-F299 PolarHBondContact O-N 3.09Å
298	A	78.2	Confident	63	Low	34 Å²	34	72.6 Å²	72.6	28%	0.281	41%	0.414	S	S	.	.			trans	-56.4	130.1	176.4	0	0	0	0	0	112.3	D295	D295-A298 HydrophobicContact CB-CB 3.95Å; D295-A298 VanDerWaalsContact CG-N 3.27Å; D295-A298 WeakPolarHBondContact O-CB 3.36Å; D295-A298 PolarHBondContact OD1-N 3.1Å; D295-A298 VanDerWaalsContact OD1-N 3.1Å; D295-A298 WeakPolarHBondContact OD2-CA 3.44Å; D295-A298 VanDerWaalsContact OD2-CB 3.32Å; D295-A298 WeakPolarHBondContact OD2-CB 3.14Å; D295-A298 PolarHBondContact OD2-N 3.29Å
299	F	64.2	Low	60.1	Low	19 Å²	19	70.7 Å²	70.7	8%	0.083	42%	0.424	C	S	.	.			trans	-61.2	129.9	169.2	-95.1	-93.9	0	0	0	110.9	P247 N297 W301 S302 Y1271	P247-F299 HydrophobicContact CB-CE1 4.35Å; P247-F299 HydrophobicContact CB-CE2 3.78Å; P247-F299 HydrophobicContact CB-CZ 3.58Å; P247-F299 WeakPolarHBondContact O-CD2 3.28Å; P247-F299 WeakPolarHBondContact O-CE2 3.27Å; N297-F299 PolarHBondContact O-N 3.09Å; F299-W301 PolarHBondContact O-N 2.84Å; F299-S302 PolarHBondContact O-N 3.42Å; F299-S302 PolarHBondContact O-OG 3.43Å; F299-Y1271 HydrophobicContact CD1-CE2 4.29Å; F299-Y1271 HydrophobicContact CE1-CE1 4.49Å; F299-Y1271 AromaticContact CE1-CE2 3.66Å; F299-Y1271 HydrophobicContact CE1-CE2 3.66Å; F299-Y1271 AromaticContact CE1-CZ 3.58Å; F299-Y1271 VanDerWaalsContact CE1-OH 3.28Å; F299-Y1271 WeakPolarHBondContact CE1-OH 3.45Å
300	P	49.3	Very low	57.1	Low	89 Å²	89	76.6 Å²	76.6	58%	0.578	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-15.1	179.1	-27.8	35.7	0	0	0	115.3
301	W	41.9	Very low	54.3	Low	108 Å²	108	81.4 Å²	81.4	41%	0.409	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.6	-176.3	-58.2	-24.4	0	0	0	115.1	F299 S303 Q304 Y1271	F299-W301 PolarHBondContact O-N 2.84Å; W301-S303 PolarHBondContact O-N 2.91Å; W301-Q304 PolarHBondContact O-N 3.41Å; W301-Y1271 AromaticContact CH2-CD2 3.86Å; W301-Y1271 HydrophobicContact CH2-CD2 3.86Å; W301-Y1271 HydrophobicContact CH2-CE2 4.39Å; W301-Y1271 HydrophobicContact CZ2-CD2 4.27Å; W301-Y1271 HydrophobicContact CZ3-CD2 4.44Å
302	S	39.4	Very low	51.9	Low	54 Å²	54	82.6 Å²	82.6	38%	0.378	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.3	177.4	59.2	0	0	0	0	114.2	F299	F299-S302 PolarHBondContact O-N 3.42Å; F299-S302 PolarHBondContact O-OG 3.43Å
303	S	36.6	Very low	49.4	Very low	47 Å²	47	82.7 Å²	82.7	33%	0.329	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.5	176.5	-74.5	0	0	0	0	116	W301 S305 R750	W301-S303 PolarHBondContact O-N 2.91Å; S303-S305 PolarHBondContact O-N 1.85Å; S303-R750 PolarHBondContact O-NH2 2.99Å
304	Q	31.2	Very low	46.6	Very low	111 Å²	111	85.7 Å²	85.7	52%	0.519	53%	0.532	S	S	.	.			trans	-98.2	86.8	-172.9	-68	-166	19.5	0	0	113.3	W301 S306 H754	W301-Q304 PolarHBondContact O-N 3.41Å; Q304-S306 PolarHBondContact O-N 2.94Å; Q304-H754 PolarHBondContact NE2-CE1 3Å; Q304-H754 PolarHBondContact NE2-NE2 2.89Å
305	S	31.8	Very low	43.7	Very low	76 Å²	76	89.6 Å²	89.6	53%	0.531	55%	0.548	S	S	.	.			trans	-63.5	126.8	158.8	56	0	0	0	0	110.1	S303	S303-S305 PolarHBondContact O-N 1.85Å
306	S	26.2	Very low	40.9	Very low	101 Å²	101	93.3 Å²	93.3	71%	0.706	58%	0.576	S	S	*	*			trans	-54.8	135.5	175	-43.2	0	0	0	0	110.8	Q304 L308	Q304-S306 PolarHBondContact O-N 2.94Å; S306-L308 PolarHBondContact O-N 3.37Å
307	P	27	Very low	38	Very low	127 Å²	127	95.2 Å²	95.2	83%	0.825	59%	0.594	S	S	*	*			trans	-71.6	89.6	-177	28.7	-34.8	0	0	0	110.9	S309	P307-S309 PolarHBondContact O-N 3.32Å
308	L	28	Very low	35.2	Very low	167 Å²	167	99.8 Å²	99.8	87%	0.874	63%	0.628	S	S	*	*			trans	-66.4	101.4	175.2	-141.8	77.2	0	0	0	108.7	S306 S310	S306-L308 PolarHBondContact O-N 3.37Å; L308-S310 PolarHBondContact O-N 3.17Å
309	S	30	Very low	32.8	Very low	108 Å²	108	107.9 Å²	107.9	76%	0.755	66%	0.657	S	S	*	*			trans	-68.7	99.8	-161.9	43.2	0	0	0	0	113.1	P307 S311	P307-S309 PolarHBondContact O-N 3.32Å; S309-S311 VanDerWaalsContact C-N 3.27Å; S309-S311 PolarHBondContact O-N 3.42Å
310	S	27.1	Very low	31.2	Very low	124 Å²	124	110.6 Å²	110.6	87%	0.867	69%	0.69	S	S	*	*			trans	-74.3	73.7	175.9	63.3	0	0	0	0	112	L308	L308-S310 PolarHBondContact O-N 3.17Å
311	S	31.6	Very low	30.1	Very low	107 Å²	107	111.5 Å²	111.5	75%	0.748	70%	0.699	S	S	*	*			trans	-108	95.4	176.9	-74.5	0	0	0	0	112.6	S309	S309-S311 VanDerWaalsContact C-N 3.27Å; S309-S311 PolarHBondContact O-N 3.42Å
312	S	29.9	Very low	29.2	Very low	102 Å²	102	111.5 Å²	111.5	71%	0.713	71%	0.714	S	S	*	*			trans	1.2	125.7	151.1	55.1	0	0	0	0	119	P314	S312-P314 WeakPolarHBondContact O-CD 3.15Å
313	I	27.6	Very low	28.5	Very low	157 Å²	157	114.9 Å²	114.9	81%	0.805	73%	0.732	S	S	*	*			trans	-56.3	134.4	161.3	-60.7	159.2	0	0	0	111.3	T315	I313-T315 HydrophobicContact CG2-CG2 3.97Å
314	P	27	Very low	28.1	Very low	120 Å²	120	117.7 Å²	117.7	78%	0.779	75%	0.752	S	S	*	*			trans	-116.8	118	151.6	10.3	12.4	0	0	0	110.4	S312	S312-P314 WeakPolarHBondContact O-CD 3.15Å
315	T	26	Very low	27.8	Very low	122 Å²	122	118.7 Å²	118.7	75%	0.748	77%	0.766	S	S	*	*			trans	-79.9	123.4	176.3	49.8	0	0	0	0	112.1	I313	I313-T315 HydrophobicContact CG2-CG2 3.97Å
316	S	29.3	Very low	27.5	Very low	109 Å²	109	119.4 Å²	119.4	76%	0.762	77%	0.771	S	S	*	*			trans	173.8	114.9	133.4	38.9	0	0	0	0	116.2
317	S	28.4	Very low	27.5	Very low	99 Å²	99	120 Å²	120	69%	0.692	77%	0.771	S	S	*	*			trans	24.9	115.3	139.2	58.8	0	0	0	0	122.5
318	S	28.8	Very low	27.3	Very low	115 Å²	115	122.7 Å²	122.7	80%	0.804	77%	0.769	S	S	*	*				-174.6	114.6	111.3	-77.1	0	0	0	0	110.1
319	F	27.8	Very low	27.2	Very low	204 Å²	204	119.5 Å²	119.5	90%	0.895	76%	0.757	S	S	*	*				74.1	117.6	77.8	-93.5	-74.9	0	0	0	115.6
320	G	29.6	Very low	26.9	Very low	75 Å²	75	119.2 Å²	119.2	77%	0.773	75%	0.75	S	S	*	*			trans	130.8	63.7	179	0	0	0	0	0	113.6
321	S	27.5	Very low	26.8	Very low	109 Å²	109	121.9 Å²	121.9	76%	0.762	75%	0.749	S	S	*	*			cis	80.9	78.8	47.7	-175.1	0	0	0	0	116.3
322	C	22.3	Very low	26.6	Very low	108 Å²	108	122.2 Å²	122.2	73%	0.73	75%	0.751	S	S	*	*			trans	-156.1	108.8	142.3	42	0	0	0	0	108.4
323	T	25.2	Very low	26.5	Very low	124 Å²	124	122.3 Å²	122.3	76%	0.761	75%	0.752	S	S	*	*				52.9	124.9	96.2	62.4	0	0	0	0	113.2
324	S	27	Very low	26.4	Very low	106 Å²	106	117.6 Å²	117.6	74%	0.741	73%	0.733	S	S	*	*			cis	-174.7	162.6	16.4	18.6	0	0	0	0	108.9
325	T	25.5	Very low	26.3	Very low	132 Å²	132	114.9 Å²	114.9	81%	0.81	72%	0.717	S	S	*	*			cis	-164.3	170.5	1.6	-103.4	0	0	0	0	110.5
326	S	25.3	Very low	26.3	Very low	91 Å²	91	116.1 Å²	116.1	64%	0.636	72%	0.718	S	S	*	*			trans	-27.3	149	161.7	-169.3	0	0	0	0	116
327	T	26.1	Very low	26	Very low	114 Å²	114	117.6 Å²	117.6	70%	0.699	72%	0.717	S	S	*	*				-167.4	133.1	51.3	-40.7	0	0	0	0	108.6
328	K	24.5	Very low	25.8	Very low	183 Å²	183	117.5 Å²	117.5	80%	0.796	72%	0.716	S	S	*	*				50.7	132.4	83.5	-110.6	-165.4	175.1	-171.2	0	113.4
329	V	24.1	Very low	25.6	Very low	101 Å²	101	117 Å²	117	61%	0.612	70%	0.704	S	S	*	*			cis	-155.5	168.4	11.9	-142.6	0	0	0	0	111
330	T	24.2	Very low	25.4	Very low	101 Å²	101	111.9 Å²	111.9	62%	0.62	69%	0.693	S	S	*	*			trans	54.9	116	154.7	48.2	0	0	0	0	119.1
331	E	26.2	Very low	25.2	Very low	180 Å²	180	112.4 Å²	112.4	84%	0.841	69%	0.685	S	S	*	*				83.3	107.8	61	-76	-177.7	161.4	0	0	115.3
332	S	26.5	Very low	25	Very low	114 Å²	114	114.5 Å²	114.5	80%	0.797	69%	0.688	S	S	*	*			trans	-171.4	128.7	136.5	-83.6	0	0	0	0	111.9
333	S	27.3	Very low	25.2	Very low	105 Å²	105	113.6 Å²	113.6	73%	0.734	68%	0.678	S	S	*	*			trans	48.6	131.9	154.5	56	0	0	0	0	122.3
334	S	25.8	Very low	25.2	Very low	57 Å²	57	116.8 Å²	116.8	40%	0.399	69%	0.685	S	S	.	*			trans	70.9	109.7	136.8	57.2	0	0	0	0	122.9
335	S	24.2	Very low	25.2	Very low	63 Å²	63	119.4 Å²	119.4	44%	0.441	69%	0.689	S	S	.	*				156.5	164.9	115.6	-79.8	0	0	0	0	114.9	S539 V541	S335-S539 PolarHBondContact OG-O 2.89Å; S335-V541 VanDerWaalsContact CA-CG2 3.47Å; S335-V541 VanDerWaalsContact OG-CG2 3.31Å; S335-V541 WeakPolarHBondContact OG-CG2 3.33Å
336	L	26.3	Very low	25.2	Very low	148 Å²	148	120.8 Å²	120.8	78%	0.775	69%	0.69	S	S	*	*			trans	71.6	133.5	171.9	-49.3	179.2	0	0	0	114.7
337	L	24.4	Very low	25.3	Very low	140 Å²	140	122.1 Å²	122.1	73%	0.733	69%	0.69	S	S	*	*			cis	65.5	123.8	1.5	-83.4	174.5	0	0	0	119.2
338	S	23.6	Very low	25.5	Very low	97 Å²	97	124.5 Å²	124.5	68%	0.678	69%	0.691	S	S	*	*			trans	82.5	123	160.5	76.8	0	0	0	0	120.6
339	N	24	Very low	25.6	Very low	104 Å²	104	120.6 Å²	120.6	56%	0.556	69%	0.687	S	S	*	*			trans	68.3	123.6	148.9	-60.1	-33.2	0	0	0	121.6
340	C	23.5	Very low	25.9	Very low	97 Å²	97	123.1 Å²	123.1	66%	0.655	70%	0.697	S	S	*	*			trans	164.4	125.6	133.5	-87.5	0	0	0	0	106.7
341	S	24.6	Very low	26.3	Very low	87 Å²	87	127 Å²	127	61%	0.608	71%	0.708	S	S	*	*			cis	68.7	103.2	23.8	-32	0	0	0	0	113.6
342	N	25	Very low	26.4	Very low	153 Å²	153	124.9 Å²	124.9	82%	0.818	70%	0.703	S	S	*	*			trans	65.1	98.3	165.1	-61.1	-10.5	0	0	0	119.3
343	V	25.2	Very low	26.7	Very low	88 Å²	88	126.4 Å²	126.4	53%	0.533	71%	0.707	S	S	.	*			trans	11.1	112.4	130.7	-160.4	0	0	0	0	116.8	E1260	V343-E1260 WeakPolarHBondContact CG2-OE1 3.39Å
344	Q	26.8	Very low	26.8	Very low	192 Å²	192	126.8 Å²	126.8	90%	0.897	70%	0.7	S	S	*	*				-173.1	139.8	124.5	-105.3	168.4	49.5	0	0	113.1
345	L	26.2	Very low	27.2	Very low	160 Å²	160	129.1 Å²	129.1	84%	0.838	72%	0.717	S	S	*	*			trans	-71.7	148	172.1	-67.5	156.3	0	0	0	111.4
346	I	25.8	Very low	27.5	Very low	162 Å²	162	133.9 Å²	133.9	83%	0.831	73%	0.732	S	S	*	*				174.1	134.1	118.6	-88.5	156.4	0	0	0	112.4
347	D	26.9	Very low	27.6	Very low	118 Å²	118	133 Å²	133	63%	0.631	73%	0.733	S	S	*	*			trans	13	128.3	161.2	-81	-9.6	0	0	0	124.6
348	K	30.1	Very low	28	Very low	164 Å²	164	131.3 Å²	131.3	71%	0.713	73%	0.733	S	S	*	*				46.7	119.4	125.6	-51	176.9	-174	75.2	0	119.9
349	S	27.7	Very low	28.3	Very low	102 Å²	102	135 Å²	135	71%	0.713	74%	0.739	S	S	*	*				170.2	124.3	94.7	40.4	0	0	0	0	115
350	D	30.3	Very low	28.7	Very low	153 Å²	153	137.4 Å²	137.4	82%	0.818	76%	0.757	S	S	*	*			trans	58.3	161.4	131	-47.5	-36.6	0	0	0	125.4
351	E	31.1	Very low	29	Very low	182 Å²	182	138.4 Å²	138.4	85%	0.85	76%	0.756	S	S	*	*			trans	84.3	61.6	158.7	-56.5	-102.8	117.2	0	0	121.1
352	N	28.2	Very low	29.5	Very low	137 Å²	137	141.9 Å²	141.9	73%	0.733	76%	0.762	S	S	*	*				3.7	131	124.7	161.9	58.2	0	0	0	120.2
353	V	32.8	Very low	29.9	Very low	146 Å²	146	139.8 Å²	139.8	89%	0.885	75%	0.751	S	S	*	*			trans	-139.8	140.8	146.1	-176.8	0	0	0	0	110.1
354	N	29.7	Very low	30.2	Very low	112 Å²	112	142 Å²	142	60%	0.599	76%	0.759	S	S	*	*			trans	-137.4	138.4	-174.3	172.5	16.9	0	0	0	112.2
355	S	33.8	Very low	30.4	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	75%	0.754	S	S	*	*			trans	177.4	151.8	157.8	-83.1	0	0	0	0	111.5
356	Q	31.7	Very low	30.5	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	75%	0.752	S	S	*	*			cis	-176.4	172.1	-27.3	-130.5	-176.1	27.2	0	0	108.9
357	V	28.7	Very low	30.9	Very low	129 Å²	129	138.4 Å²	138.4	78%	0.782	75%	0.75	S	S	*	*			trans	73.4	131.6	168.3	-176.8	0	0	0	0	116.5
358	S	31.8	Very low	31.1	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	76%	0.76	S	S	*	*			cis	-166.8	148.2	-16.6	53.4	0	0	0	0	111.8
359	E	29.8	Very low	31.3	Very low	174 Å²	174	138 Å²	138	81%	0.813	76%	0.759	S	S	*	*			trans	-91.3	169.2	171.1	-63.2	178.9	117	0	0	113.8
360	V	32.8	Very low	31.5	Very low	154 Å²	154	141.3 Å²	141.3	93%	0.933	76%	0.764	S	S	*	*			trans	-118.1	142.3	156.3	178.1	0	0	0	0	107.8
361	N	30.9	Very low	31.4	Very low	119 Å²	119	139.1 Å²	139.1	64%	0.636	76%	0.756	S	S	*	*			trans	-133.8	-171.5	-149.5	-156	-10.5	0	0	0	113
362	E	34.9	Very low	31.3	Very low	159 Å²	159	139.2 Å²	139.2	74%	0.743	75%	0.753	S	S	*	*			trans	88.2	144.6	163.3	-50.9	-150.2	147.9	0	0	118.4
363	N	32.5	Very low	31.4	Very low	109 Å²	109	137.8 Å²	137.8	58%	0.583	75%	0.754	S	S	*	*			cis	-158.9	144.6	-22.3	-100.4	-30.7	0	0	0	106.3
364	I	30.8	Very low	31.1	Very low	134 Å²	134	138 Å²	138	69%	0.687	75%	0.75	S	S	*	*			cis	79.3	104.6	21.6	-49.4	175.1	0	0	0	114.5
365	I	31.6	Very low	31	Very low	158 Å²	158	139.1 Å²	139.1	81%	0.81	76%	0.757	S	S	*	*			trans	-139.2	118.5	153.2	-59.6	-175.8	0	0	0	109.8
366	S	28.2	Very low	30.7	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	76%	0.757	S	S	*	*			trans	-125.5	158.5	154.1	-70	0	0	0	0	107.1
367	H	34.9	Very low	30.7	Very low	167 Å²	167	139.8 Å²	139.8	77%	0.773	76%	0.757	S	S	*	*			trans	-134.8	107.2	-177.5	-134.3	-51.6	0	0	0	112.7
368	D	30.3	Very low	30.5	Very low	158 Å²	158	140.3 Å²	140.3	85%	0.845	76%	0.755	S	S	*	*			trans	-103.9	156.4	165.6	-77.4	-55.9	0	0	0	110.1
369	V	34.7	Very low	30.4	Very low	116 Å²	116	142.3 Å²	142.3	70%	0.703	76%	0.763	S	S	*	*			trans	-143.9	107.8	175.1	-179.2	0	0	0	0	113
370	E	32.6	Very low	30.1	Very low	171 Å²	171	139.9 Å²	139.9	80%	0.799	76%	0.761	S	S	*	*			trans	54.6	100.7	141	-56.3	-168.3	130.3	0	0	124.5
371	T	27.4	Very low	29.9	Very low	107 Å²	107	139.1 Å²	139.1	66%	0.656	76%	0.756	S	S	*	*				22.9	141.8	116.6	50	0	0	0	0	125.8
372	K	29.8	Very low	29.6	Very low	184 Å²	184	137 Å²	137	80%	0.8	76%	0.755	S	S	*	*			trans	95	135.7	135.3	-77.3	154.1	-174.7	169.6	0	122
373	S	28.9	Very low	29.2	Very low	107 Å²	107	136.5 Å²	136.5	75%	0.748	76%	0.756	S	S	*	*			trans	123	95.7	138.8	-52.1	0	0	0	0	118.7
374	N	27.2	Very low	28.9	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	76%	0.761	S	S	*	*				56.4	137.3	129.5	-66.9	10.3	0	0	0	125.4
375	N	27.8	Very low	28.6	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	76%	0.761	S	S	*	*			trans	83.7	123.2	144.2	-64.7	-0.2	0	0	0	121.5
376	N	27.3	Very low	28.4	Very low	141 Å²	141	135.5 Å²	135.5	75%	0.754	76%	0.759	S	S	*	*			trans	15.5	135.2	133.7	-52.5	6.1	0	0	0	117.4
377	D	31.4	Very low	28.4	Very low	143 Å²	143	137.7 Å²	137.7	77%	0.765	76%	0.756	S	S	*	*				-159.7	175.8	62.9	-128.9	-38.8	0	0	0	116.2
378	N	26	Very low	28.1	Very low	139 Å²	139	138.3 Å²	138.3	74%	0.743	76%	0.757	S	S	*	*			trans	-84.7	139.2	-175.4	-58.4	-92.7	0	0	0	113.4
379	T	28.4	Very low	28	Very low	147 Å²	147	136.9 Å²	136.9	90%	0.902	76%	0.756	S	S	*	*			trans	-159.5	122.4	132.9	-6.5	0	0	0	0	114.6
380	T	24.3	Very low	28	Very low	124 Å²	124	138.4 Å²	138.4	76%	0.761	77%	0.765	S	S	*	*			trans	-76.5	136.5	171.4	-47.4	0	0	0	0	111.3
381	T	27.8	Very low	27.7	Very low	137 Å²	137	138.2 Å²	138.2	84%	0.84	76%	0.757	S	S	*	*			trans	-172.1	116.5	130.4	15.5	0	0	0	0	116
382	A	26	Very low	27.8	Very low	74 Å²	74	139.4 Å²	139.4	61%	0.612	77%	0.768	S	S	*	*				74.6	105	123.5	0	0	0	0	0	123.4
383	I	25.2	Very low	27.7	Very low	149 Å²	149	134.7 Å²	134.7	76%	0.764	76%	0.755	S	S	*	*				82.7	120.8	112.9	-69.9	166.5	0	0	0	120.6
384	N	25.6	Very low	27.9	Very low	127 Å²	127	136.2 Å²	136.2	68%	0.679	76%	0.76	S	S	*	*			trans	80.1	102.9	150	-69.4	-1.8	0	0	0	123.5
385	N	26.3	Very low	28.1	Very low	131 Å²	131	135.3 Å²	135.3	70%	0.701	76%	0.755	S	S	*	*				89.8	138.9	113	-64.1	-6.7	0	0	0	123.8
386	T	25.8	Very low	28.1	Very low	123 Å²	123	137.9 Å²	137.9	76%	0.755	76%	0.759	S	S	*	*			trans	80.3	108.3	145.3	39.4	0	0	0	0	122.4
387	E	28.4	Very low	28.5	Very low	159 Å²	159	137.5 Å²	137.5	74%	0.743	76%	0.763	S	S	*	*			trans	64.8	119.3	139.8	-49.9	-176.1	176.3	0	0	122.2
388	K	29.6	Very low	28.3	Very low	181 Å²	181	137.1 Å²	137.1	79%	0.787	76%	0.761	S	S	*	*				173.7	123.2	95.4	-92.8	171.8	-172.4	165.7	0	114
389	P	28.5	Very low	28.7	Very low	128 Å²	128	137.2 Å²	137.2	83%	0.831	76%	0.761	S	S	*	*			trans	-91.9	156.4	154.7	35.2	-30.3	0	0	0	111.5
390	V	33.9	Very low	28.8	Very low	148 Å²	148	137.1 Å²	137.1	90%	0.897	76%	0.755	S	S	*	*			trans	-95.3	149.1	-174.6	178	0	0	0	0	112.1
391	R	26.6	Very low	29.3	Very low	167 Å²	167	137.1 Å²	137.1	63%	0.63	76%	0.757	S	S	*	*			trans	-122.5	144.5	-172.2	172.5	-177.1	179.2	-147.5	-5.6	110.8	T393	R391-T393 HydrophobicContact CG-CG2 4.16Å
392	C	28.6	Very low	29.3	Very low	132 Å²	132	136 Å²	136	89%	0.892	76%	0.755	S	S	*	*			trans	-109.6	152.8	153.1	-72.3	0	0	0	0	110.1
393	T	28.2	Very low	29.2	Very low	85 Å²	85	138.7 Å²	138.7	52%	0.521	76%	0.763	S	S	.	*			trans	-122.6	137.1	-158.1	46.2	0	0	0	0	113.4	R391	R391-T393 HydrophobicContact CG-CG2 4.16Å
394	V	32	Very low	29.4	Very low	139 Å²	139	138.1 Å²	138.1	84%	0.842	77%	0.767	S	S	*	*				-132.8	162.6	129.8	-170.5	0	0	0	0	106.8
395	D	32.5	Very low	29.4	Very low	131 Å²	131	138 Å²	138	70%	0.701	77%	0.771	S	S	*	*			trans	-103	174.6	-151.4	-67.1	-67.3	0	0	0	117.2
396	K	28.6	Very low	29.5	Very low	190 Å²	190	137.9 Å²	137.9	83%	0.826	78%	0.775	S	S	*	*			trans	-114.1	138.9	-178.4	-63.6	-178.5	177	-174.6	0	112
397	T	33.7	Very low	29.5	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	77%	0.773	S	S	*	*			trans	-145.1	113.7	138.9	47.2	0	0	0	0	107.4
398	N	28.3	Very low	29.6	Very low	135 Å²	135	137 Å²	137	72%	0.722	77%	0.771	S	S	*	*				59.2	103	88.2	-96.3	64.7	0	0	0	113.3
399	D	35.2	Very low	29.5	Very low	140 Å²	140	135.3 Å²	135.3	75%	0.749	77%	0.771	S	S	*	*				-171.3	-176.5	87.2	-93.3	-15.1	0	0	0	113.3
400	N	29.3	Very low	29.5	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	77%	0.769	S	S	*	*			trans	-66.8	159	-155.1	-70.8	-65.7	0	0	0	118.5
401	P	35.1	Very low	29.2	Very low	123 Å²	123	137.8 Å²	137.8	80%	0.799	77%	0.77	S	S	*	*			trans	-85.2	154.5	175.9	35.8	-36.3	0	0	0	113.9
402	S	27.1	Very low	29.3	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	78%	0.779	S	S	*	*			trans	-147.9	145.8	159.6	66.4	0	0	0	0	112
403	V	25.6	Very low	29.1	Very low	131 Å²	131	140.3 Å²	140.3	79%	0.794	77%	0.773	S	S	*	*			trans	-84.2	130.3	177.8	173.2	0	0	0	0	109.7
404	T	28	Very low	28.9	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	79%	0.786	S	S	*	*			trans	-138.9	126.3	152.7	24.9	0	0	0	0	110.6
405	T	25.5	Very low	28.7	Very low	124 Å²	124	141.1 Å²	141.1	76%	0.761	77%	0.774	S	S	*	*			trans	-90.2	133	174.7	48.2	0	0	0	0	110.6
406	T	28.1	Very low	28.4	Very low	130 Å²	130	142 Å²	142	80%	0.798	78%	0.784	S	S	*	*			trans	-163	111.3	150	-1	0	0	0	0	112.7
407	D	27.7	Very low	28.3	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	78%	0.776	S	S	*	*			trans	33.1	107.1	138.2	-58.3	-28.1	0	0	0	122.1
408	N	28.9	Very low	28	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	77%	0.772	S	S	*	*				65.6	138.5	116.3	-57.7	-46.1	0	0	0	122.5
409	N	27.7	Very low	27.9	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	78%	0.776	S	S	*	*			trans	70.5	135.4	166.2	-50.8	-7.3	0	0	0	114.1
410	D	28.3	Very low	27.5	Very low	150 Å²	150	138 Å²	138	80%	0.802	78%	0.775	S	S	*	*			cis	-128.3	142.3	17.6	-61.2	-63.2	0	0	0	112.7
411	I	28.7	Very low	27.5	Very low	177 Å²	177	135.9 Å²	135.9	91%	0.908	78%	0.779	S	S	*	*			trans	-129.1	104.8	159.6	-63.8	-178.1	0	0	0	106.9
412	E	27.6	Very low	27.2	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	78%	0.778	S	S	*	*			trans	-75.6	145.1	-172.5	-166.8	168.2	-156.1	0	0	112.6	C414	E412-C414 PolarHBondContact O-N 3.36Å; E412-C414 VanDerWaalsContact O-N 3.12Å
413	F	24.6	Very low	27.2	Very low	174 Å²	174	137.1 Å²	137.1	76%	0.763	77%	0.773	S	S	*	*			trans	-83.4	83.6	-173.2	176.4	-101.3	0	0	0	111.3	Q415	F413-Q415 HydrophobicContact CD1-CG 4.05Å; F413-Q415 HydrophobicContact CE1-CG 3.68Å; F413-Q415 PolarHBondContact O-N 3.29Å
414	C	25.5	Very low	27.3	Very low	118 Å²	118	137.5 Å²	137.5	80%	0.797	78%	0.776	S	S	*	*			trans	-71.1	100.2	171.8	-74.2	0	0	0	0	111.4	E412	E412-C414 PolarHBondContact O-N 3.36Å; E412-C414 VanDerWaalsContact O-N 3.12Å
415	Q	26.6	Very low	27.3	Very low	123 Å²	123	137 Å²	137	58%	0.575	77%	0.767	S	S	*	*			trans	-53.6	142.7	162.5	-63.6	172.2	-8.5	0	0	110.5	F413 Q417	F413-Q415 HydrophobicContact CD1-CG 4.05Å; F413-Q415 HydrophobicContact CE1-CG 3.68Å; F413-Q415 PolarHBondContact O-N 3.29Å; Q415-Q417 VanDerWaalsContact C-N 3.3Å; Q415-Q417 HydrophobicContact CB-CG 4.33Å; Q415-Q417 PolarHBondContact O-N 3.38Å
416	T	25.6	Very low	27.5	Very low	149 Å²	149	140 Å²	140	91%	0.914	77%	0.77	S	S	*	*			trans	-74.3	82	170.4	44.7	0	0	0	0	110.6
417	Q	27	Very low	27.6	Very low	141 Å²	141	139.8 Å²	139.8	66%	0.659	77%	0.774	S	S	*	*			trans	-92	125.6	167.6	-63.8	-171.1	15.2	0	0	110.1	Q415 T419	Q415-Q417 VanDerWaalsContact C-N 3.3Å; Q415-Q417 HydrophobicContact CB-CG 4.33Å; Q415-Q417 PolarHBondContact O-N 3.38Å; Q417-T419 PolarHBondContact O-N 2.93Å
418	S	27.5	Very low	27.8	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	77%	0.773	S	S	*	*			trans	-58.4	130.1	174.3	-52.7	0	0	0	0	110.8
419	T	27.4	Very low	27.8	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	78%	0.78	S	S	*	*			trans	-133.8	113	173.2	36	0	0	0	0	111.4	Q417 A421	Q417-T419 PolarHBondContact O-N 2.93Å; T419-A421 PolarHBondContact O-N 3.18Å
420	N	26.5	Very low	28	Very low	135 Å²	135	139 Å²	139	72%	0.722	78%	0.775	S	S	*	*			trans	-56.8	127.2	-166.5	-53.4	-3.8	0	0	0	113.6	N422	N420-N422 PolarHBondContact O-N 2.82Å
421	A	28.1	Very low	28	Very low	103 Å²	103	137.7 Å²	137.7	85%	0.851	77%	0.774	S	S	*	*			trans	-79.5	66.4	173.6	0	0	0	0	0	111.8	T419 V423	T419-A421 PolarHBondContact O-N 3.18Å; A421-V423 PolarHBondContact O-N 3.33Å
422	N	29.4	Very low	28.2	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	76%	0.762	S	S	*	*			trans	-67	122.1	-178.3	-101.7	-19.5	0	0	0	112.5	N420	N420-N422 PolarHBondContact O-N 2.82Å
423	V	27.4	Very low	28.4	Very low	115 Å²	115	133.1 Å²	133.1	70%	0.697	76%	0.757	S	S	*	*			trans	-66.8	140.2	175.4	175.4	0	0	0	0	110.8	A421 L425	A421-V423 PolarHBondContact O-N 3.33Å; V423-L425 HydrophobicContact CG1-CD1 4.17Å; V423-L425 HydrophobicContact CG1-CG 4.42Å
424	T	27.7	Very low	28.9	Very low	139 Å²	139	132.9 Å²	132.9	85%	0.853	76%	0.762	S	S	*	*			trans	-147.2	139.2	153.2	-66.1	0	0	0	0	109.8
425	L	27.5	Very low	29.1	Very low	124 Å²	124	130.1 Å²	130.1	65%	0.649	75%	0.753	S	S	*	*			trans	-95.5	158.6	-165.8	-71.7	110.8	0	0	0	114.8	V423	V423-L425 HydrophobicContact CG1-CD1 4.17Å; V423-L425 HydrophobicContact CG1-CG 4.42Å
426	K	29.5	Very low	29.5	Very low	189 Å²	189	131.9 Å²	131.9	82%	0.822	77%	0.766	S	S	*	*			trans	41.6	125.1	141.1	-63.5	167.7	-178.4	177.7	0	118.3
427	S	30.6	Very low	30.1	Very low	125 Å²	125	132 Å²	132	87%	0.874	76%	0.756	S	S	*	*				-179.4	178.2	88	-157.9	0	0	0	0	111.5
428	S	31.5	Very low	30.6	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	76%	0.762	S	S	*	*			trans	-126.4	163.5	-163.7	58.6	0	0	0	0	115.6
429	K	30	Very low	30.9	Very low	195 Å²	195	133.3 Å²	133.3	85%	0.848	76%	0.758	S	S	*	*			trans	78	147.9	155.7	-80	-178.8	173.9	177.6	0	122.5
430	S	30.3	Very low	31.4	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	76%	0.758	S	S	*	*			trans	74.1	96.9	147.7	46.6	0	0	0	0	122.7
431	T	29.1	Very low	31.7	Very low	124 Å²	124	135 Å²	135	76%	0.761	76%	0.762	S	S	*	*				72.3	155.9	120.6	68.9	0	0	0	0	123.3
432	D	33.9	Very low	32.5	Very low	126 Å²	126	134.7 Å²	134.7	67%	0.674	75%	0.751	S	S	*	*			trans	84.4	78.1	155.2	-56.3	-53.6	0	0	0	121.7
433	N	31.1	Very low	32.7	Very low	133 Å²	133	133.7 Å²	133.7	71%	0.711	75%	0.75	S	S	*	*				68.1	135.8	107.7	-81.1	-47.9	0	0	0	122.9
434	I	34.3	Very low	32.9	Very low	169 Å²	169	133.8 Å²	133.8	87%	0.867	75%	0.751	S	S	*	*			trans	76.4	132.8	151	-62.7	156.7	0	0	0	118.6
435	G	31	Very low	33.1	Very low	60 Å²	60	133.1 Å²	133.1	62%	0.619	75%	0.747	S	S	*	*			trans	137.2	75.9	141.4	0	0	0	0	0	119.1
436	D	34.7	Very low	33.5	Very low	160 Å²	160	131.7 Å²	131.7	86%	0.856	75%	0.754	S	S	*	*			trans	54.6	179.8	150.1	-60.7	-19	0	0	0	120.8
437	H	38	Very low	33.5	Very low	151 Å²	151	128.6 Å²	128.6	70%	0.699	75%	0.75	S	S	*	*				-164	169.6	-66.8	-155	-74.1	0	0	0	107.7
438	I	37.2	Very low	33.9	Very low	151 Å²	151	129.3 Å²	129.3	77%	0.774	75%	0.749	S	S	*	*			trans	76.6	142.8	164.7	-53	162.1	0	0	0	115.2
439	D	34.2	Very low	33.9	Very low	123 Å²	123	130.8 Å²	130.8	66%	0.658	75%	0.749	S	S	*	*			cis	-167.6	-174.1	-44.6	-132.9	-49.1	0	0	0	109.4
440	D	38	Very low	34.3	Very low	155 Å²	155	129.1 Å²	129.1	83%	0.829	75%	0.75	S	S	*	*			trans	76	150.1	159.6	-69.6	-43	0	0	0	119.8
441	N	33	Very low	34.4	Very low	150 Å²	150	132.1 Å²	132.1	80%	0.802	76%	0.758	S	S	*	*			trans	-153.8	-156.2	-163.1	-166.4	16.5	0	0	0	111.2
442	P	43.5	Very low	34.9	Very low	95 Å²	95	134.4 Å²	134.4	62%	0.617	77%	0.765	S	S	*	*				-91	-175.4	-119.1	40.2	-26.4	0	0	0	114.8
443	T	33.7	Very low	34.8	Very low	127 Å²	127	136.2 Å²	136.2	78%	0.779	77%	0.77	S	S	*	*				-177.1	154	122.8	-76.7	0	0	0	0	112.3
444	T	31.8	Very low	34.8	Very low	117 Å²	117	137.9 Å²	137.9	72%	0.718	78%	0.777	S	S	*	*			trans	-57	175.6	176.9	42.9	0	0	0	0	114.8
445	T	31.6	Very low	34.6	Very low	125 Å²	125	137.6 Å²	137.6	77%	0.767	77%	0.772	S	S	*	*			cis	-173.1	167.7	43.3	-30.2	0	0	0	0	113.8
446	A	36.5	Very low	34.7	Very low	95 Å²	95	143.1 Å²	143.1	79%	0.785	79%	0.786	S	S	*	*			trans	90.9	155.6	146.5	0	0	0	0	0	119.9
447	V	29.6	Very low	34.5	Very low	123 Å²	123	140.8 Å²	140.8	75%	0.745	78%	0.778	S	S	*	*			trans	-130.7	148.5	-165.4	177.8	0	0	0	0	109.1
448	V	38.5	Very low	34.2	Very low	140 Å²	140	139 Å²	139	85%	0.848	78%	0.782	S	S	*	*			trans	-141.8	132.6	157.5	-172.9	0	0	0	0	107.9
449	D	31.7	Very low	34	Very low	131 Å²	131	137.5 Å²	137.5	70%	0.701	79%	0.786	S	S	*	*			trans	-80.6	160.4	179.3	-43.3	-81.3	0	0	0	112.5
450	N	38.1	Very low	34.1	Very low	161 Å²	161	141 Å²	141	86%	0.861	80%	0.798	S	S	*	*			trans	-167.3	132.8	143.8	-91.1	-39.7	0	0	0	108.7
451	D	32.9	Very low	33.9	Very low	158 Å²	158	143 Å²	143	85%	0.845	80%	0.799	S	S	*	*			trans	-79.1	144	169.6	-53.4	-77.2	0	0	0	110.5
452	D	39.7	Very low	34.2	Very low	172 Å²	172	142.5 Å²	142.5	92%	0.92	80%	0.797	S	S	*	*			trans	-148.1	133.6	158.7	-106.9	-39.4	0	0	0	109.7
453	E	31	Very low	34.1	Very low	165 Å²	165	147.1 Å²	147.1	77%	0.771	81%	0.81	S	S	*	*			trans	-90.5	136.3	-174.7	176.9	-172.5	-179.2	0	0	111
454	I	32.6	Very low	34.6	Very low	168 Å²	168	147.6 Å²	147.6	86%	0.862	81%	0.808	S	S	*	*			trans	-158.4	145.9	156.3	-106.9	146.5	0	0	0	111.8
455	Q	28.6	Very low	35.1	Very low	162 Å²	162	145.8 Å²	145.8	76%	0.757	80%	0.8	S	S	*	*			trans	-79.6	153.6	-172	-61.3	158.9	-0.7	0	0	112.9
456	L	33.6	Very low	36.2	Very low	176 Å²	176	144.5 Å²	144.5	92%	0.921	79%	0.788	S	S	*	*			trans	-145.5	129.4	164.7	-118.9	165.4	0	0	0	110.9
457	T	30.6	Very low	37.5	Very low	111 Å²	111	142.5 Å²	142.5	68%	0.681	77%	0.768	S	S	*	*			trans	-109.5	135.8	-168.9	50.9	0	0	0	0	113
458	S	32.3	Very low	39.1	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	76%	0.755	S	S	*	*			trans	49.1	105.2	148.7	62.8	0	0	0	0	119.6
459	S	32.8	Very low	40.5	Very low	120 Å²	120	136.2 Å²	136.2	84%	0.839	73%	0.729	S	S	*	*			trans	-154.3	46.1	159	52	0	0	0	0	114.4	K461	S459-K461 PolarHBondContact O-N 2.86Å; S459-K461 VanDerWaalsContact O-N 3.13Å
460	E	35.1	Very low	42.4	Very low	197 Å²	197	134.4 Å²	134.4	92%	0.921	72%	0.715	S	S	*	*			trans	-85.2	72.1	-179.7	-64.9	-168.1	142.1	0	0	114
461	K	33.9	Very low	44	Very low	196 Å²	196	128.3 Å²	128.3	85%	0.852	68%	0.681	S	S	*	*			trans	-148.8	66.7	171	-71.3	-165.8	178.7	-179.5	0	114	S459	S459-K461 PolarHBondContact O-N 2.86Å; S459-K461 VanDerWaalsContact O-N 3.13Å
462	D	40.6	Very low	45.8	Very low	140 Å²	140	125.5 Å²	125.5	75%	0.749	66%	0.662	S	S	*	*	S	Bend	trans	-154.2	-24.1	168	-105.4	-40.2	0	0	0	117	N464 S465	D462-N464 PolarHBondContact O-N 2.94Å; D462-S465 PolarHBondContact O-OG 2.84Å
463	H	41.6	Very low	47.3	Very low	192 Å²	192	123.5 Å²	123.5	89%	0.889	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-2.5	-169.5	-75.6	-54.4	0	0	0	117.5
464	N	42.6	Very low	49.2	Very low	138 Å²	138	118.6 Å²	118.6	74%	0.738	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-0.2	-174.5	-152.7	21.8	0	0	0	114.6	D462 S467	D462-N464 PolarHBondContact O-N 2.94Å; N464-S467 PolarHBondContact O-OG 2.83Å
465	S	43	Very low	51	Low	79 Å²	79	111 Å²	111	55%	0.552	59%	0.586	S	S	*	*	H	α-helix	trans	-83.3	-44.2	178	54.2	0	0	0	0	112.4	D462 S467 L468 S469	D462-S465 PolarHBondContact O-OG 2.84Å; S465-S467 VanDerWaalsContact C-N 3.29Å; S465-S467 PolarHBondContact O-N 3.36Å; S465-L468 PolarHBondContact O-N 2.95Å; S465-S469 PolarHBondContact O-N 2.97Å
466	D	55.5	Low	52.9	Low	98 Å²	98	108.6 Å²	108.6	52%	0.524	58%	0.578	S	S	.	*	H	α-helix	trans	-77.9	-8.6	-172.4	-171.5	43.5	0	0	0	114.2	S469 K470	D466-S469 WeakPolarHBondContact CA-OG 3.13Å; D466-S469 PolarHBondContact O-OG 3.18Å; D466-S469 VanDerWaalsContact O-OG 3.1Å; D466-K470 PolarHBondContact O-NZ 3.27Å; D466-K470 IonicContact OD1-NZ 2.79Å; D466-K470 PolarHBondContact OD1-NZ 3.49Å; D466-K470 IonicContact OD2-NZ 3.62Å; D466-K470 PolarHBondContact OD2-NZ 2.83Å
467	S	63.2	Low	54.6	Low	53 Å²	53	107.3 Å²	107.3	37%	0.371	57%	0.567	S	S	.	*	H	α-helix	trans	-83.5	-39.1	166.9	53	0	0	0	0	111.6	N464 S465 I471	N464-S467 PolarHBondContact O-OG 2.83Å; S465-S467 VanDerWaalsContact C-N 3.29Å; S465-S467 PolarHBondContact O-N 3.36Å; S467-I471 WeakPolarHBondContact O-CG1 3.35Å; S467-I471 PolarHBondContact O-N 2.82Å
468	L	63.1	Low	56.4	Low	89 Å²	89	103.3 Å²	103.3	47%	0.466	54%	0.541	S	S	.	.	H	α-helix	trans	-75.7	-27.3	-177.3	-157.5	81.1	0	0	0	112.8	S465 K472	S465-L468 PolarHBondContact O-N 2.95Å; L468-K472 WeakPolarHBondContact O-CG 3.47Å; L468-K472 PolarHBondContact O-N 2.89Å
469	S	67	Low	58.1	Low	42 Å²	42	99.4 Å²	99.4	29%	0.294	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-54.9	170.4	49.7	0	0	0	0	111.2	S465 D466 I471 K472 E473	S465-S469 PolarHBondContact O-N 2.97Å; D466-S469 WeakPolarHBondContact CA-OG 3.13Å; D466-S469 PolarHBondContact O-OG 3.18Å; D466-S469 VanDerWaalsContact O-OG 3.1Å; S469-I471 VanDerWaalsContact C-N 3.3Å; S469-I471 PolarHBondContact O-N 2.83Å; S469-K472 WeakPolarHBondContact O-CB 3.32Å; S469-K472 PolarHBondContact O-N 2.91Å; S469-E473 PolarHBondContact O-N 3.42Å
470	K	73.2	Confident	59.7	Low	93 Å²	93	97.3 Å²	97.3	40%	0.404	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-37.6	-178.3	-62.6	-175.1	-173.3	75.8	0	112.6	D466 K472 E473 I474	D466-K470 PolarHBondContact O-NZ 3.27Å; D466-K470 IonicContact OD1-NZ 2.79Å; D466-K470 PolarHBondContact OD1-NZ 3.49Å; D466-K470 IonicContact OD2-NZ 3.62Å; D466-K470 PolarHBondContact OD2-NZ 2.83Å; K470-K472 VanDerWaalsContact C-N 3.33Å; K470-K472 PolarHBondContact O-N 2.96Å; K470-E473 PolarHBondContact O-N 2.84Å; K470-I474 WeakPolarHBondContact O-CB 3.05Å; K470-I474 WeakPolarHBondContact O-CD1 3.48Å; K470-I474 VanDerWaalsContact O-CG1 3.24Å; K470-I474 WeakPolarHBondContact O-CG1 3.4Å; K470-I474 PolarHBondContact O-N 3.18Å
471	I	71.2	Confident	61.4	Low	32 Å²	32	91 Å²	91	16%	0.164	48%	0.482	C	S	.	.	H	α-helix	trans	-62.8	-39.4	174.7	-68.5	165.7	0	0	0	111.2	K172 Y173 S467 S469 E475	K172-I471 HydrophobicContact CB-CD1 4.22Å; K172-I471 HydrophobicContact CB-CG2 4.41Å; K172-I471 HydrophobicContact CD-CD1 3.85Å; Y173-I471 HydrophobicContact CD1-CG2 4.09Å; Y173-I471 HydrophobicContact CE1-CG2 4.09Å; S467-I471 WeakPolarHBondContact O-CG1 3.35Å; S467-I471 PolarHBondContact O-N 2.82Å; S469-I471 VanDerWaalsContact C-N 3.3Å; S469-I471 PolarHBondContact O-N 2.83Å; I471-E475 WeakPolarHBondContact O-CB 3.33Å; I471-E475 PolarHBondContact O-N 3.08Å
472	K	69.7	Low	63.6	Low	99 Å²	99	82 Å²	82	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-70.5	-37.5	176.6	-68	170	-173.6	178	0	112.7	L468 S469 K470 E475 I476	L468-K472 WeakPolarHBondContact O-CG 3.47Å; L468-K472 PolarHBondContact O-N 2.89Å; S469-K472 WeakPolarHBondContact O-CB 3.32Å; S469-K472 PolarHBondContact O-N 2.91Å; K470-K472 VanDerWaalsContact C-N 3.33Å; K470-K472 PolarHBondContact O-N 2.96Å; K472-E475 PolarHBondContact O-N 3.01Å; K472-I476 WeakPolarHBondContact O-CB 3.43Å; K472-I476 WeakPolarHBondContact O-CD1 3.41Å; K472-I476 WeakPolarHBondContact O-CG1 3.35Å; K472-I476 PolarHBondContact O-N 3.31Å
473	E	72.4	Confident	65.4	Low	130 Å²	130	79 Å²	79	61%	0.607	43%	0.428	S	S	*	.	H	α-helix	trans	-63	-47	174.9	-69.7	173.4	169.4	0	0	110.8	S469 K470 I476 E477	S469-E473 PolarHBondContact O-N 3.42Å; K470-E473 PolarHBondContact O-N 2.84Å; E473-I476 PolarHBondContact O-N 3.49Å; E473-E477 PolarHBondContact O-N 3.44Å
474	I	70.5	Confident	67.7	Low	63 Å²	63	73.8 Å²	73.8	32%	0.323	41%	0.406	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.6	-71.1	166.4	0	0	0	111.5	Y173 K470 E477 M478	Y173-I474 HydrophobicContact CE1-CG2 4.46Å; K470-I474 WeakPolarHBondContact O-CB 3.05Å; K470-I474 WeakPolarHBondContact O-CD1 3.48Å; K470-I474 VanDerWaalsContact O-CG1 3.24Å; K470-I474 WeakPolarHBondContact O-CG1 3.4Å; K470-I474 PolarHBondContact O-N 3.18Å; I474-E477 PolarHBondContact O-N 2.96Å; I474-M478 HydrophobicContact CG2-CG 4.37Å; I474-M478 HydrophobicContact CG2-SD 3.42Å; I474-M478 WeakPolarHBondContact CG2-SD 3.42Å; I474-M478 VanDerWaalsContact O-CB 3.3Å; I474-M478 WeakPolarHBondContact O-CB 3.41Å; I474-M478 VanDerWaalsContact O-CG 3.26Å; I474-M478 WeakPolarHBondContact O-CG 3.49Å; I474-M478 PolarHBondContact O-N 3.26Å
475	E	70.6	Confident	70.1	Confident	7 Å²	7	67.4 Å²	67.4	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-42.9	176.2	176.6	179.9	-116.9	0	0	112.5	Y173 K174 I471 K472 M478 D479	Y173-E475 HydrophobicContact CD1-CB 4.34Å; K174-E475 WeakPolarHBondContact CB-OE1 3.15Å; K174-E475 WeakPolarHBondContact CG-OE1 3.31Å; K174-E475 PolarHBondContact N-OE1 3.18Å; K174-E475 IonicContact NZ-OE1 3.87Å; K174-E475 IonicContact NZ-OE2 3.84Å; K174-E475 PolarHBondContact NZ-OE2 2.89Å; I471-E475 WeakPolarHBondContact O-CB 3.33Å; I471-E475 PolarHBondContact O-N 3.08Å; K472-E475 PolarHBondContact O-N 3.01Å; E475-M478 PolarHBondContact O-N 2.99Å; E475-D479 PolarHBondContact O-N 3.4Å
476	I	69.2	Low	72.6	Confident	113 Å²	113	63.8 Å²	63.8	58%	0.579	35%	0.346	S	S	*	.	H	α-helix	trans	-66.4	-42.4	176.8	-69.9	164	0	0	0	110.9	K472 E473 A480	K472-I476 WeakPolarHBondContact O-CB 3.43Å; K472-I476 WeakPolarHBondContact O-CD1 3.41Å; K472-I476 WeakPolarHBondContact O-CG1 3.35Å; K472-I476 PolarHBondContact O-N 3.31Å; E473-I476 PolarHBondContact O-N 3.49Å; I476-A480 WeakPolarHBondContact O-CB 3.49Å; I476-A480 PolarHBondContact O-N 2.91Å
477	E	69.1	Low	74.5	Confident	148 Å²	148	61.3 Å²	61.3	69%	0.692	33%	0.333	S	S	*	.	H	α-helix	trans	-64.6	-39.2	175.6	-171.3	174.9	-170	0	0	111.8	E473 I474 A481	E473-E477 PolarHBondContact O-N 3.44Å; I474-E477 PolarHBondContact O-N 2.96Å; E477-A481 VanDerWaalsContact O-CB 3.32Å; E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 2.99Å; E477-A481 VanDerWaalsContact O-N 3.17Å
478	M	66.9	Low	76	Confident	28 Å²	28	61.2 Å²	61.2	14%	0.138	33%	0.325	C	S	.	.	H	α-helix	trans	-68.5	-43.4	178.4	-79.7	166.8	27.6	0	0	113.4	Y173 F289 P291 I474 E475	Y173-M478 HydrophobicContact CD1-CE 4.32Å; Y173-M478 HydrophobicContact CE1-CE 4.07Å; F289-M478 HydrophobicContact CD1-CE 3.75Å; F289-M478 HydrophobicContact CD2-CB 4.13Å; F289-M478 HydrophobicContact CD2-CE 3.51Å; F289-M478 HydrophobicContact CE1-CE 3.67Å; F289-M478 HydrophobicContact CE2-CB 4.19Å; F289-M478 HydrophobicContact CE2-CE 3.43Å; F289-M478 VanDerWaalsContact CE2-CE 3.43Å; F289-M478 HydrophobicContact CG-CE 3.67Å; F289-M478 HydrophobicContact CZ-CE 3.51Å; F289-M478 WeakPolarHBondContact O-CE 3.42Å; F289-M478 VanDerWaalsContact O-SD 3.41Å; P291-M478 HydrophobicContact CG-SD 3.84Å; I474-M478 HydrophobicContact CG2-CG 4.37Å; I474-M478 HydrophobicContact CG2-SD 3.42Å; I474-M478 WeakPolarHBondContact CG2-SD 3.42Å; I474-M478 VanDerWaalsContact O-CB 3.3Å; I474-M478 WeakPolarHBondContact O-CB 3.41Å; I474-M478 VanDerWaalsContact O-CG 3.26Å; I474-M478 WeakPolarHBondContact O-CG 3.49Å; I474-M478 PolarHBondContact O-N 3.26Å; E475-M478 PolarHBondContact O-N 2.99Å
479	D	68.6	Low	77.6	Confident	30 Å²	30	57.2 Å²	57.2	16%	0.16	30%	0.304	C	S	.	.	H	α-helix	trans	-70.5	-46.7	176.4	-82.3	-13.9	0	0	0	110.8	R191 F289 E475 A481 D482 D483	R191-D479 IonicContact CZ-OD1 3.23Å; R191-D479 IonicContact CZ-OD2 3.82Å; R191-D479 IonicContact NE-OD1 2.85Å; R191-D479 PolarHBondContact NE-OD1 2.94Å; R191-D479 IonicContact NH2-OD1 2.77Å; R191-D479 PolarHBondContact NH2-OD1 3.33Å; R191-D479 IonicContact NH2-OD2 2.7Å; R191-D479 PolarHBondContact NH2-OD2 2.84Å; F289-D479 VanDerWaalsContact CE2-OD1 3.3Å; F289-D479 WeakPolarHBondContact CE2-OD1 3.4Å; E475-D479 PolarHBondContact O-N 3.4Å; D479-A481 PolarHBondContact O-N 3.38Å; D479-A481 VanDerWaalsContact O-N 3.11Å; D479-D482 PolarHBondContact O-N 2.86Å; D479-D482 VanDerWaalsContact O-N 3.1Å; D479-D483 PolarHBondContact O-N 2.98Å
480	A	67.6	Low	79.1	Confident	76 Å²	76	56.7 Å²	56.7	63%	0.628	30%	0.297	S	S	*	.	H	α-helix	trans	-63.3	-19.8	-180	0	0	0	0	0	114.1	I476 D482	I476-A480 WeakPolarHBondContact O-CB 3.49Å; I476-A480 PolarHBondContact O-N 2.91Å; A480-D482 VanDerWaalsContact C-N 3.28Å; A480-D482 PolarHBondContact O-N 3.31Å
481	A	69.6	Low	80.2	Confident	65 Å²	65	55.3 Å²	55.3	54%	0.537	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.1	176.3	0	0	0	0	0	114.4	K285 E477 D479	K285-A481 PolarHBondContact NZ-O 3.41Å; E477-A481 VanDerWaalsContact O-CB 3.32Å; E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 2.99Å; E477-A481 VanDerWaalsContact O-N 3.17Å; D479-A481 PolarHBondContact O-N 3.38Å; D479-A481 VanDerWaalsContact O-N 3.11Å
482	D	80.7	Confident	81.5	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.043	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.5	3.7	-176.7	-153.3	55.8	0	0	0	115.9	R193 K285 Y287 D479 A480 D484 Y485	R193-D482 IonicContact CZ-OD2 3.15Å; R193-D482 IonicContact NE-OD2 3.94Å; R193-D482 PolarHBondContact NE-OD2 2.88Å; R193-D482 IonicContact NH2-OD1 3.6Å; R193-D482 PolarHBondContact NH2-OD1 2.73Å; R193-D482 VanDerWaalsContact NH2-OD1 3.15Å; R193-D482 IonicContact NH2-OD2 2.71Å; R193-D482 PolarHBondContact NH2-OD2 3.31Å; K285-D482 WeakPolarHBondContact CD-OD1 3.4Å; K285-D482 WeakPolarHBondContact CE-OD1 3.41Å; K285-D482 IonicContact NZ-OD1 2.86Å; K285-D482 PolarHBondContact NZ-OD1 2.91Å; Y287-D482 HydrophobicContact CD2-CB 4.33Å; Y287-D482 WeakPolarHBondContact CD2-OD2 3.38Å; Y287-D482 HydrophobicContact CE2-CB 4.34Å; D479-D482 PolarHBondContact O-N 2.86Å; D479-D482 VanDerWaalsContact O-N 3.1Å; A480-D482 VanDerWaalsContact C-N 3.28Å; A480-D482 PolarHBondContact O-N 3.31Å; D482-D484 PolarHBondContact O-N 3.34Å; D482-Y485 WeakPolarHBondContact O-CB 3.28Å; D482-Y485 PolarHBondContact O-N 3.3Å; D482-Y485 VanDerWaalsContact O-N 3.08Å; D482-Y485 WeakPolarHBondContact OD1-CB 3.3Å
483	D	78.5	Confident	82.9	Confident	77 Å²	77	49.2 Å²	49.2	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-49.3	-172.1	-158	38.2	0	0	0	113.9	P194 H195 D479 Y485	P194-D483 WeakPolarHBondContact CB-OD1 3.33Å; H195-D483 PolarHBondContact CD2-O 3.03Å; D479-D483 PolarHBondContact O-N 2.98Å; D483-Y485 VanDerWaalsContact C-N 3.35Å; D483-Y485 PolarHBondContact O-N 3.04Å
484	D	88.7	Confident	84.1	Confident	82 Å²	82	44 Å²	44	44%	0.439	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.4	-177.2	86.8	-36.8	0	0	0	114.7	D482 L486 L487 R488	D482-D484 PolarHBondContact O-N 3.34Å; D484-L486 PolarHBondContact O-N 3.47Å; D484-L487 WeakPolarHBondContact O-CB 3.25Å; D484-L487 PolarHBondContact O-N 3.02Å; D484-R488 PolarHBondContact O-N 3.01Å; D484-R488 VanDerWaalsContact O-N 3.12Å
485	Y	94.1	Very high	85.4	Confident	3 Å²	3	44.3 Å²	44.3	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-42.7	-162.3	-177.5	-99.1	0	0	0	113.2	V284 K285 D482 D483 L487 R488 L489 Y713	V284-Y485 HydrophobicContact CB-CE1 4.13Å; K285-Y485 HydrophobicContact CB-CD1 4.47Å; K285-Y485 HydrophobicContact CB-CD2 4.28Å; K285-Y485 HydrophobicContact CB-CE1 4.01Å; K285-Y485 HydrophobicContact CB-CE2 3.85Å; K285-Y485 HydrophobicContact CD-CD2 4.16Å; K285-Y485 HydrophobicContact CD-CE2 4.45Å; K285-Y485 HydrophobicContact CD-CG 4.46Å; K285-Y485 PolarHBondContact N-OH 3.25Å; K285-Y485 VanDerWaalsContact N-OH 3.17Å; D482-Y485 WeakPolarHBondContact O-CB 3.28Å; D482-Y485 PolarHBondContact O-N 3.3Å; D482-Y485 VanDerWaalsContact O-N 3.08Å; D482-Y485 WeakPolarHBondContact OD1-CB 3.3Å; D483-Y485 VanDerWaalsContact C-N 3.35Å; D483-Y485 PolarHBondContact O-N 3.04Å; Y485-L487 VanDerWaalsContact C-N 3.26Å; Y485-L487 PolarHBondContact O-N 3.23Å; Y485-R488 PolarHBondContact O-N 3.06Å; Y485-L489 HydrophobicContact CE1-CB 4.47Å; Y485-L489 HydrophobicContact CE1-CD2 4.44Å; Y485-L489 PolarHBondContact O-N 2.79Å; Y485-Y713 WeakPolarHBondContact CE2-O 3.43Å; Y485-Y713 PolarHBondContact OH-O 3.24Å
486	L	95.3	Very high	86.8	Confident	3 Å²	3	44 Å²	44	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-24.4	177.3	-73.5	-170.3	0	0	0	112.9	R193 L196 V199 D484 L489 Q490	R193-L486 HydrophobicContact CB-CD1 3.85Å; R193-L486 HydrophobicContact CB-CG 4.47Å; R193-L486 HydrophobicContact CG-CD1 3.85Å; R193-L486 HydrophobicContact CG-CG 3.92Å; L196-L486 HydrophobicContact CB-CD1 4.18Å; L196-L486 HydrophobicContact CD1-CD1 3.97Å; V199-L486 HydrophobicContact CG2-CB 4.05Å; D484-L486 PolarHBondContact O-N 3.47Å; L486-L489 HydrophobicContact CD2-CD2 3.87Å; L486-Q490 WeakPolarHBondContact O-CB 3.49Å; L486-Q490 PolarHBondContact O-N 2.89Å
487	L	95.6	Very high	88.2	Confident	47 Å²	47	39.3 Å²	39.3	25%	0.246	21%	0.211	C	C	.	.	H	α-helix	trans	-72	-38.9	172	-62	175.3	0	0	0	111.3	H195 K198 V199 D484 Y485 Q490 E491	H195-L487 HydrophobicContact CB-CD2 4.12Å; H195-L487 HydrophobicContact CB-CG 4.19Å; H195-L487 WeakPolarHBondContact CD2-CD1 3.27Å; K198-L487 HydrophobicContact CD-CD2 4.29Å; V199-L487 HydrophobicContact CG2-CD2 3.92Å; D484-L487 WeakPolarHBondContact O-CB 3.25Å; D484-L487 PolarHBondContact O-N 3.02Å; Y485-L487 VanDerWaalsContact C-N 3.26Å; Y485-L487 PolarHBondContact O-N 3.23Å; L487-Q490 WeakPolarHBondContact O-CB 3.26Å; L487-Q490 PolarHBondContact O-N 3.39Å; L487-E491 PolarHBondContact O-N 3.02Å
488	R	94.7	Very high	89.6	Confident	51 Å²	51	37.3 Å²	37.3	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-38.2	172	-58.4	-49.3	-49.5	-68.5	-0.4	111.8	D484 Y485 E491 I492 D716	D484-R488 PolarHBondContact O-N 3.01Å; D484-R488 VanDerWaalsContact O-N 3.12Å; Y485-R488 PolarHBondContact O-N 3.06Å; R488-E491 IonicContact CZ-OE2 3.14Å; R488-E491 VanDerWaalsContact CZ-OE2 3.23Å; R488-E491 IonicContact NE-OE2 2.71Å; R488-E491 PolarHBondContact NE-OE2 2.66Å; R488-E491 IonicContact NH2-OE1 2.66Å; R488-E491 IonicContact NH2-OE2 2.77Å; R488-E491 PolarHBondContact NH2-OE2 3.47Å; R488-E491 WeakPolarHBondContact O-CB 3.29Å; R488-E491 PolarHBondContact O-N 3.34Å; R488-I492 WeakPolarHBondContact O-CG1 3.26Å; R488-I492 PolarHBondContact O-N 2.74Å; R488-D716 IonicContact CZ-OD2 3.26Å; R488-D716 IonicContact NH1-OD2 2.8Å; R488-D716 PolarHBondContact NH1-OD2 3.35Å; R488-D716 IonicContact NH2-OD1 2.68Å; R488-D716 IonicContact NH2-OD2 3.17Å; R488-D716 PolarHBondContact NH2-OD2 3.43Å
489	L	97.2	Very high	91.1	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-39.9	173.7	-175.1	60.8	0	0	0	112.1	I268 I282 V284 Y485 L486 E491 I492 L493	I268-L489 HydrophobicContact CD1-CD2 4.22Å; I268-L489 HydrophobicContact CG2-CD1 4.24Å; I268-L489 HydrophobicContact CG2-CD2 4.31Å; I282-L489 HydrophobicContact CG2-CD1 4.06Å; V284-L489 HydrophobicContact CG1-CD1 4.07Å; V284-L489 HydrophobicContact CG1-CD2 3.74Å; Y485-L489 HydrophobicContact CE1-CB 4.47Å; Y485-L489 HydrophobicContact CE1-CD2 4.44Å; Y485-L489 PolarHBondContact O-N 2.79Å; L486-L489 HydrophobicContact CD2-CD2 3.87Å; L489-E491 VanDerWaalsContact C-N 3.33Å; L489-E491 PolarHBondContact O-N 3.07Å; L489-I492 PolarHBondContact O-N 2.72Å; L489-L493 HydrophobicContact CG-CD1 4.18Å; L489-L493 WeakPolarHBondContact O-CG 3.45Å; L489-L493 PolarHBondContact O-N 2.88Å
490	Q	97.8	Very high	92.5	Very high	31 Å²	31	36.9 Å²	36.9	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-45	172.1	-169.3	-158.1	-82.8	0	0	111.1	V199 C202 L203 L486 L487 I492 L493 L494	V199-Q490 HydrophobicContact CG1-CB 4.04Å; V199-Q490 HydrophobicContact CG1-CG 4.27Å; V199-Q490 HydrophobicContact CG2-CB 4.26Å; C202-Q490 HydrophobicContact CB-CG 4.37Å; C202-Q490 VanDerWaalsContact SG-CD 3.56Å; L203-Q490 HydrophobicContact CD2-CG 4.15Å; L203-Q490 HydrophobicContact CG-CG 4.24Å; L486-Q490 WeakPolarHBondContact O-CB 3.49Å; L486-Q490 PolarHBondContact O-N 2.89Å; L487-Q490 WeakPolarHBondContact O-CB 3.26Å; L487-Q490 PolarHBondContact O-N 3.39Å; Q490-I492 PolarHBondContact O-N 2.96Å; Q490-L493 PolarHBondContact O-N 3.06Å; Q490-L494 HydrophobicContact CG-CD1 4.11Å; Q490-L494 WeakPolarHBondContact O-CB 3.36Å; Q490-L494 VanDerWaalsContact O-CG 3.25Å; Q490-L494 WeakPolarHBondContact O-CG 3.44Å; Q490-L494 PolarHBondContact O-N 2.82Å
491	E	97.1	Very high	93.9	Very high	64 Å²	64	33.5 Å²	33.5	30%	0.299	17%	0.167	S	C	.	.	H	α-helix	trans	-59.3	-45.4	176.4	-167.2	-141.6	126.6	0	0	112	L487 R488 L489 L494 R495	L487-E491 PolarHBondContact O-N 3.02Å; R488-E491 IonicContact CZ-OE2 3.14Å; R488-E491 VanDerWaalsContact CZ-OE2 3.23Å; R488-E491 IonicContact NE-OE2 2.71Å; R488-E491 PolarHBondContact NE-OE2 2.66Å; R488-E491 IonicContact NH2-OE1 2.66Å; R488-E491 IonicContact NH2-OE2 2.77Å; R488-E491 PolarHBondContact NH2-OE2 3.47Å; R488-E491 WeakPolarHBondContact O-CB 3.29Å; R488-E491 PolarHBondContact O-N 3.34Å; L489-E491 VanDerWaalsContact C-N 3.33Å; L489-E491 PolarHBondContact O-N 3.07Å; E491-L494 PolarHBondContact O-N 3.12Å; E491-R495 WeakPolarHBondContact O-CB 3.39Å; E491-R495 WeakPolarHBondContact O-CD 3.27Å; E491-R495 VanDerWaalsContact O-CG 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.47Å; E491-R495 PolarHBondContact O-N 3.33Å; E491-R495 WeakPolarHBondContact OE1-CD 3.4Å; E491-R495 IonicContact OE1-CZ 2.83Å; E491-R495 IonicContact OE1-NE 3.92Å; E491-R495 IonicContact OE1-NH1 2.75Å; E491-R495 PolarHBondContact OE1-NH1 2.87Å
492	I	98	Very high	95.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-46.8	175.9	-68.5	162.8	0	0	0	111.1	I282 R488 L489 Q490 R495 I496 W715	I282-I492 HydrophobicContact CD1-CG2 4.33Å; R488-I492 WeakPolarHBondContact O-CG1 3.26Å; R488-I492 PolarHBondContact O-N 2.74Å; L489-I492 PolarHBondContact O-N 2.72Å; Q490-I492 PolarHBondContact O-N 2.96Å; I492-R495 WeakPolarHBondContact O-CB 3.4Å; I492-R495 PolarHBondContact O-N 3.23Å; I492-I496 HydrophobicContact CG2-CD1 3.95Å; I492-I496 WeakPolarHBondContact O-CG1 3.44Å; I492-I496 PolarHBondContact O-N 3.1Å; I492-W715 HydrophobicContact CD1-CB 3.97Å; I492-W715 HydrophobicContact CD1-CD2 4.29Å; I492-W715 HydrophobicContact CD1-CG 3.78Å; I492-W715 HydrophobicContact CG1-CB 4.15Å; I492-W715 HydrophobicContact CG1-CD2 4.33Å; I492-W715 HydrophobicContact CG1-CG 4.15Å; I492-W715 HydrophobicContact CG2-CD2 3.73Å; I492-W715 HydrophobicContact CG2-CE3 3.72Å; I492-W715 HydrophobicContact CG2-CG 4.37Å; I492-W715 HydrophobicContact CG2-CH2 3.91Å; I492-W715 HydrophobicContact CG2-CZ2 3.93Å; I492-W715 HydrophobicContact CG2-CZ3 3.8Å
493	L	98.6	Very high	95.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-45.1	178.3	-73.4	167.1	0	0	0	111.6	L153 L203 Y207 I268 I282 L489 Q490 R495 I496 H497	L153-L493 HydrophobicContact CD1-CD2 3.87Å; L153-L493 HydrophobicContact CD2-CD1 4.05Å; L203-L493 HydrophobicContact CD1-CD1 3.66Å; L203-L493 HydrophobicContact CD2-CB 3.79Å; L203-L493 HydrophobicContact CD2-CD1 3.96Å; L203-L493 HydrophobicContact CG-CD1 4.5Å; Y207-L493 HydrophobicContact CE2-CB 4.03Å; Y207-L493 PolarHBondContact OH-O 3.06Å; I268-L493 HydrophobicContact CG2-CD2 4.49Å; I282-L493 HydrophobicContact CD1-CD2 3.67Å; I282-L493 HydrophobicContact CD1-CG 4.4Å; L489-L493 HydrophobicContact CG-CD1 4.18Å; L489-L493 WeakPolarHBondContact O-CG 3.45Å; L489-L493 PolarHBondContact O-N 2.88Å; Q490-L493 PolarHBondContact O-N 3.06Å; L493-R495 VanDerWaalsContact C-N 3.31Å; L493-R495 PolarHBondContact O-N 3.42Å; L493-I496 WeakPolarHBondContact O-CB 3.49Å; L493-I496 PolarHBondContact O-N 2.94Å; L493-I496 VanDerWaalsContact O-N 3.14Å; L493-H497 PolarHBondContact O-N 2.96Å
494	L	98.5	Very high	96.7	Very high	21 Å²	21	36 Å²	36	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-37.2	174.1	-67.5	172.1	0	0	0	112	Y206 Q490 E491 R498	Y206-L494 HydrophobicContact CD1-CD2 4.16Å; Y206-L494 HydrophobicContact CD2-CD2 3.32Å; Y206-L494 HydrophobicContact CE1-CD2 4.29Å; Y206-L494 HydrophobicContact CE2-CD2 3.48Å; Y206-L494 VanDerWaalsContact CE2-CD2 3.48Å; Y206-L494 HydrophobicContact CG-CD2 3.69Å; Q490-L494 HydrophobicContact CG-CD1 4.11Å; Q490-L494 WeakPolarHBondContact O-CB 3.36Å; Q490-L494 VanDerWaalsContact O-CG 3.25Å; Q490-L494 WeakPolarHBondContact O-CG 3.44Å; Q490-L494 PolarHBondContact O-N 2.82Å; E491-L494 PolarHBondContact O-N 3.12Å; L494-R498 VanDerWaalsContact O-CB 3.31Å; L494-R498 WeakPolarHBondContact O-CB 3.4Å; L494-R498 WeakPolarHBondContact O-CD 3.5Å; L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.14Å
495	R	98	Very high	97	Very high	70 Å²	70	34.5 Å²	34.5	26%	0.264	16%	0.157	S	C	.	.	H	α-helix	trans	-63.8	-39.4	172.8	-76	162.9	65.6	179.8	-3.6	111.7	E491 I492 L493 N499	E491-R495 WeakPolarHBondContact O-CB 3.39Å; E491-R495 WeakPolarHBondContact O-CD 3.27Å; E491-R495 VanDerWaalsContact O-CG 3.26Å; E491-R495 WeakPolarHBondContact O-CG 3.47Å; E491-R495 PolarHBondContact O-N 3.33Å; E491-R495 WeakPolarHBondContact OE1-CD 3.4Å; E491-R495 IonicContact OE1-CZ 2.83Å; E491-R495 IonicContact OE1-NE 3.92Å; E491-R495 IonicContact OE1-NH1 2.75Å; E491-R495 PolarHBondContact OE1-NH1 2.87Å; I492-R495 WeakPolarHBondContact O-CB 3.4Å; I492-R495 PolarHBondContact O-N 3.23Å; L493-R495 VanDerWaalsContact C-N 3.31Å; L493-R495 PolarHBondContact O-N 3.42Å; R495-N499 WeakPolarHBondContact O-CB 3.35Å; R495-N499 PolarHBondContact O-N 3.39Å; R495-N499 VanDerWaalsContact O-N 3.14Å; R495-N499 PolarHBondContact O-ND2 3.03Å
496	I	98.6	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-51.5	174.6	-67.9	159.9	0	0	0	110.7	I282 I492 L493 R498 N499 Y500 V566 I569 I570 L573 W715	I282-I496 HydrophobicContact CD1-CD1 3.42Å; I282-I496 VanDerWaalsContact CD1-CD1 3.42Å; I282-I496 HydrophobicContact CG1-CD1 4.31Å; I492-I496 HydrophobicContact CG2-CD1 3.95Å; I492-I496 WeakPolarHBondContact O-CG1 3.44Å; I492-I496 PolarHBondContact O-N 3.1Å; L493-I496 WeakPolarHBondContact O-CB 3.49Å; L493-I496 PolarHBondContact O-N 2.94Å; L493-I496 VanDerWaalsContact O-N 3.14Å; I496-R498 PolarHBondContact O-N 3.4Å; I496-N499 PolarHBondContact O-N 2.96Å; I496-Y500 WeakPolarHBondContact O-CB 3.34Å; I496-Y500 PolarHBondContact O-N 2.64Å; I496-V566 HydrophobicContact CG2-CG1 4.28Å; I496-I569 HydrophobicContact CG2-CG2 4.22Å; I496-I570 HydrophobicContact CD1-CG1 3.91Å; I496-I570 HydrophobicContact CG1-CG1 4.28Å; I496-I570 HydrophobicContact CG2-CG1 4.45Å; I496-L573 HydrophobicContact CB-CD1 4.47Å; I496-L573 HydrophobicContact CG1-CD1 3.75Å; I496-W715 HydrophobicContact CD1-CH2 3.76Å; I496-W715 HydrophobicContact CD1-CZ3 4.15Å; I496-W715 HydrophobicContact CG1-CH2 4.26Å; I496-W715 HydrophobicContact CG1-CZ3 4.23Å
497	H	98.7	Very high	96.7	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.065	19%	0.192	C	C	.	.	H	α-helix	trans	-54.7	-52.3	178.3	177.1	-75	0	0	0	111.9	R149 L151 Y206 Y207 L493 N499 Y500 F501	R149-H497 PolarHBondContact O-CE1 3.28Å; R149-H497 PolarHBondContact O-NE2 3.35Å; L151-H497 HydrophobicContact CD1-CB 4.37Å; Y206-H497 AromaticContact CD1-CE1 3.63Å; Y206-H497 AromaticContact CD1-ND1 3.74Å; Y206-H497 AromaticContact CD1-NE2 3.87Å; Y206-H497 PolarHBondContact O-CD2 3.29Å; Y207-H497 HydrophobicContact CE2-CB 4.2Å; L493-H497 PolarHBondContact O-N 2.96Å; H497-N499 VanDerWaalsContact C-N 3.32Å; H497-N499 PolarHBondContact O-N 2.99Å; H497-Y500 WeakPolarHBondContact O-CB 3.36Å; H497-Y500 PolarHBondContact O-N 3.16Å; H497-F501 AromaticContact CD2-CD2 3.86Å; H497-F501 AromaticContact CD2-CE2 3.81Å; H497-F501 AromaticContact CE1-CD2 3.41Å; H497-F501 VanDerWaalsContact CE1-CD2 3.41Å; H497-F501 WeakPolarHBondContact CE1-CD2 3.32Å; H497-F501 AromaticContact CE1-CE2 3.88Å; H497-F501 AromaticContact ND1-CD2 3.89Å; H497-F501 AromaticContact NE2-CD2 3.4Å; H497-F501 WeakPolarHBondContact NE2-CD2 3.33Å; H497-F501 AromaticContact NE2-CE2 3.38Å; H497-F501 WeakPolarHBondContact NE2-CE2 3.4Å; H497-F501 PolarHBondContact O-N 3.44Å
498	R	98.4	Very high	96.4	Very high	107 Å²	107	43.7 Å²	43.7	40%	0.404	20%	0.2	S	C	.	.	H	α-helix	trans	-58	-41.9	178.7	-71.8	167	174.7	-159.6	-9.8	112.1	L494 I496 K502 L968	L494-R498 VanDerWaalsContact O-CB 3.31Å; L494-R498 WeakPolarHBondContact O-CB 3.4Å; L494-R498 WeakPolarHBondContact O-CD 3.5Å; L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.14Å; I496-R498 PolarHBondContact O-N 3.4Å; R498-K502 VanDerWaalsContact O-CB 3.25Å; R498-K502 WeakPolarHBondContact O-CB 3.43Å; R498-K502 PolarHBondContact O-N 3.46Å; R498-L968 PolarHBondContact NH2-O 3.44Å
499	N	98.2	Very high	95.9	Very high	49 Å²	49	45 Å²	45	26%	0.262	21%	0.213	S	C	.	.	H	α-helix	trans	-73.4	-35.4	177.8	-83.2	-89.9	0	0	0	113.1	R495 I496 H497 T503 I569	R495-N499 WeakPolarHBondContact O-CB 3.35Å; R495-N499 PolarHBondContact O-N 3.39Å; R495-N499 VanDerWaalsContact O-N 3.14Å; R495-N499 PolarHBondContact O-ND2 3.03Å; I496-N499 PolarHBondContact O-N 2.96Å; H497-N499 VanDerWaalsContact C-N 3.32Å; H497-N499 PolarHBondContact O-N 2.99Å; N499-T503 WeakPolarHBondContact O-CB 3.22Å; N499-T503 PolarHBondContact O-N 2.94Å; N499-T503 VanDerWaalsContact O-N 3.1Å; N499-T503 PolarHBondContact O-OG1 3.38Å; N499-I569 HydrophobicContact CB-CG2 3.59Å
500	Y	98.3	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-57.1	173.2	-175.7	-83.3	0	0	0	110.3	L146 L151 N263 L264 I496 H497 K502 T503 Y504 P564 V566 I569	L146-Y500 HydrophobicContact CD2-CE1 4.31Å; L151-Y500 HydrophobicContact CD1-CG 4.28Å; L151-Y500 HydrophobicContact CD2-CD1 3.7Å; L151-Y500 HydrophobicContact CD2-CD2 4.19Å; L151-Y500 HydrophobicContact CD2-CE1 3.95Å; L151-Y500 HydrophobicContact CD2-CE2 4.38Å; L151-Y500 HydrophobicContact CD2-CG 3.87Å; N263-Y500 WeakPolarHBondContact O-CE2 3.41Å; L264-Y500 HydrophobicContact CD2-CE1 3.88Å; L264-Y500 WeakPolarHBondContact CD2-OH 3.25Å; I496-Y500 WeakPolarHBondContact O-CB 3.34Å; I496-Y500 PolarHBondContact O-N 2.64Å; H497-Y500 WeakPolarHBondContact O-CB 3.36Å; H497-Y500 PolarHBondContact O-N 3.16Å; Y500-K502 PolarHBondContact O-N 3Å; Y500-T503 CarbonylContact O-C 3.58Å; Y500-T503 WeakPolarHBondContact O-CA 3.37Å; Y500-T503 WeakPolarHBondContact O-CB 3.43Å; Y500-T503 PolarHBondContact O-N 3.37Å; Y500-Y504 PolarHBondContact O-N 2.88Å; Y500-P564 HydrophobicContact CD2-CB 4.48Å; Y500-P564 HydrophobicContact CE2-CB 3.93Å; Y500-P564 WeakPolarHBondContact CE2-O 3.37Å; Y500-P564 VanDerWaalsContact CZ-O 3.32Å; Y500-P564 PolarHBondContact OH-O 3.31Å; Y500-V566 HydrophobicContact CD2-CG2 3.62Å; Y500-V566 HydrophobicContact CE2-CG2 3.94Å; Y500-V566 HydrophobicContact CG-CG2 4.43Å; Y500-I569 HydrophobicContact CD2-CG1 4.19Å
501	F	98	Very high	93.7	Very high	4 Å²	4	47 Å²	47	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-35.7	-176.4	-82.5	-74.3	0	0	0	112.5	L146 R149 L151 H497 T503 Y504 D505	L146-F501 HydrophobicContact CD2-CE1 4.05Å; L146-F501 HydrophobicContact CD2-CZ 4.35Å; R149-F501 VanDerWaalsContact CA-CZ 3.47Å; R149-F501 HydrophobicContact CB-CD1 4.27Å; R149-F501 HydrophobicContact CB-CE1 4.03Å; R149-F501 HydrophobicContact CB-CE2 4.48Å; R149-F501 HydrophobicContact CB-CZ 4.16Å; R149-F501 HydrophobicContact CG-CD1 4.25Å; R149-F501 HydrophobicContact CG-CE1 4.15Å; R149-F501 WeakPolarHBondContact O-CE2 3.35Å; L151-F501 HydrophobicContact CD2-CE2 4.19Å; L151-F501 HydrophobicContact CG-CE2 4.06Å; H497-F501 AromaticContact CD2-CD2 3.86Å; H497-F501 AromaticContact CD2-CE2 3.81Å; H497-F501 AromaticContact CE1-CD2 3.41Å; H497-F501 VanDerWaalsContact CE1-CD2 3.41Å; H497-F501 WeakPolarHBondContact CE1-CD2 3.32Å; H497-F501 AromaticContact CE1-CE2 3.88Å; H497-F501 AromaticContact ND1-CD2 3.89Å; H497-F501 AromaticContact NE2-CD2 3.4Å; H497-F501 WeakPolarHBondContact NE2-CD2 3.33Å; H497-F501 AromaticContact NE2-CE2 3.38Å; H497-F501 WeakPolarHBondContact NE2-CE2 3.4Å; H497-F501 PolarHBondContact O-N 3.44Å; F501-T503 PolarHBondContact O-N 3.15Å; F501-Y504 AromaticContact CD1-CD1 3.98Å; F501-Y504 HydrophobicContact CD1-CD1 3.98Å; F501-Y504 HydrophobicContact CD1-CG 4.43Å; F501-Y504 HydrophobicContact CE1-CD1 4.21Å; F501-Y504 WeakPolarHBondContact O-CB 3.44Å; F501-Y504 PolarHBondContact O-N 3.5Å; F501-Y504 VanDerWaalsContact O-N 3.09Å; F501-D505 PolarHBondContact O-N 3.04Å; F501-D505 VanDerWaalsContact O-OD2 3.13Å
502	K	96.5	Very high	91.9	Very high	136 Å²	136	51.2 Å²	51.2	59%	0.591	24%	0.24	S	C	*	.	H	α-helix	trans	-58.7	-34.2	169.6	-178.1	170.2	-177.3	168	0	113.1	R498 Y500 L506	R498-K502 VanDerWaalsContact O-CB 3.25Å; R498-K502 WeakPolarHBondContact O-CB 3.43Å; R498-K502 PolarHBondContact O-N 3.46Å; Y500-K502 PolarHBondContact O-N 3Å; K502-L506 WeakPolarHBondContact O-CD1 3.4Å; K502-L506 VanDerWaalsContact O-CG 3.31Å; K502-L506 WeakPolarHBondContact O-CG 3.3Å; K502-L506 PolarHBondContact O-N 3.48Å
503	T	95.7	Very high	90.2	Very high	44 Å²	44	57.5 Å²	57.5	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-78.3	-32.6	176	-50.9	0	0	0	0	111.5	N499 Y500 F501 W507 P564	N499-T503 WeakPolarHBondContact O-CB 3.22Å; N499-T503 PolarHBondContact O-N 2.94Å; N499-T503 VanDerWaalsContact O-N 3.1Å; N499-T503 PolarHBondContact O-OG1 3.38Å; Y500-T503 CarbonylContact O-C 3.58Å; Y500-T503 WeakPolarHBondContact O-CA 3.37Å; Y500-T503 WeakPolarHBondContact O-CB 3.43Å; Y500-T503 PolarHBondContact O-N 3.37Å; F501-T503 PolarHBondContact O-N 3.15Å; T503-W507 WeakPolarHBondContact O-CB 3.38Å; T503-W507 PolarHBondContact O-N 3.47Å; T503-P564 HydrophobicContact CG2-CB 4.02Å; T503-P564 HydrophobicContact CG2-CG 3.9Å
504	Y	95.7	Very high	88.3	Confident	22 Å²	22	63.3 Å²	63.3	9%	0.086	30%	0.295	C	S	.	.	H	α-helix	trans	-68.2	-41.9	174.6	178.7	-104.2	0	0	0	112.9	L146 Y500 F501 L506 W507 Q508 L563	L146-Y504 HydrophobicContact CD1-CE2 3.9Å; L146-Y504 HydrophobicContact CD2-CD1 4.49Å; L146-Y504 HydrophobicContact CD2-CD2 3.96Å; L146-Y504 HydrophobicContact CD2-CE1 4.19Å; L146-Y504 HydrophobicContact CD2-CE2 3.64Å; L146-Y504 HydrophobicContact CD2-CG 4.38Å; L146-Y504 HydrophobicContact CG-CE2 4.3Å; Y500-Y504 PolarHBondContact O-N 2.88Å; F501-Y504 AromaticContact CD1-CD1 3.98Å; F501-Y504 HydrophobicContact CD1-CD1 3.98Å; F501-Y504 HydrophobicContact CD1-CG 4.43Å; F501-Y504 HydrophobicContact CE1-CD1 4.21Å; F501-Y504 WeakPolarHBondContact O-CB 3.44Å; F501-Y504 PolarHBondContact O-N 3.5Å; F501-Y504 VanDerWaalsContact O-N 3.09Å; Y504-L506 VanDerWaalsContact C-N 3.35Å; Y504-L506 PolarHBondContact O-N 3.44Å; Y504-W507 AromaticContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CZ3 4.15Å; Y504-W507 AromaticContact CE2-CE3 3.63Å; Y504-W507 HydrophobicContact CE2-CE3 3.63Å; Y504-W507 AromaticContact CE2-CZ3 3.56Å; Y504-W507 HydrophobicContact CE2-CZ3 3.56Å; Y504-W507 WeakPolarHBondContact O-CB 3.23Å; Y504-W507 PolarHBondContact O-N 3.25Å; Y504-W507 VanDerWaalsContact O-N 3.16Å; Y504-Q508 HydrophobicContact CD1-CG 4.27Å; Y504-Q508 VanDerWaalsContact CE1-CD 3.5Å; Y504-Q508 HydrophobicContact CE1-CG 3.86Å; Y504-Q508 HydrophobicContact CE2-CG 4.26Å; Y504-Q508 WeakPolarHBondContact O-CG 3.16Å; Y504-Q508 PolarHBondContact O-N 3.02Å; Y504-Q508 PolarHBondContact OH-NE2 3.49Å; Y504-L563 HydrophobicContact CD2-CD1 3.56Å; Y504-L563 HydrophobicContact CE2-CD1 3.43Å; Y504-L563 VanDerWaalsContact CE2-CD1 3.43Å
505	D	94.8	Very high	86.4	Confident	52 Å²	52	68.2 Å²	68.2	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-39.1	178.7	-57.4	-27.1	0	0	0	110.8	R149 F501 Q508 T509	R149-D505 IonicContact CZ-OD1 3.18Å; R149-D505 IonicContact CZ-OD2 2.59Å; R149-D505 IonicContact NH1-OD1 3.33Å; R149-D505 PolarHBondContact NH1-OD1 3.33Å; R149-D505 IonicContact NH1-OD2 3.87Å; R149-D505 IonicContact NH2-OD1 2.68Å; R149-D505 PolarHBondContact NH2-OD1 2.87Å; R149-D505 IonicContact NH2-OD2 3.43Å; R149-D505 PolarHBondContact NH2-OD2 3.09Å; F501-D505 PolarHBondContact O-N 3.04Å; F501-D505 VanDerWaalsContact O-OD2 3.13Å; D505-Q508 PolarHBondContact O-N 3.02Å; D505-T509 WeakPolarHBondContact O-CG2 3.41Å; D505-T509 PolarHBondContact O-N 2.84Å; D505-T509 VanDerWaalsContact O-N 3.09Å; D505-T509 PolarHBondContact O-OG1 3.16Å
506	L	92	Very high	84.6	Confident	114 Å²	114	69.4 Å²	69.4	60%	0.597	33%	0.326	S	S	*	.	H	α-helix	trans	-64.8	-38.9	170.3	-70.6	171.2	0	0	0	112.6	K502 Y504 T509 G510	K502-L506 WeakPolarHBondContact O-CD1 3.4Å; K502-L506 VanDerWaalsContact O-CG 3.31Å; K502-L506 WeakPolarHBondContact O-CG 3.3Å; K502-L506 PolarHBondContact O-N 3.48Å; Y504-L506 VanDerWaalsContact C-N 3.35Å; Y504-L506 PolarHBondContact O-N 3.44Å; L506-T509 PolarHBondContact O-OG1 3.49Å; L506-T509 VanDerWaalsContact O-OG1 3.04Å; L506-G510 PolarHBondContact O-N 3.2Å; L506-G510 VanDerWaalsContact O-N 3.15Å
507	W	91.3	Very high	82.7	Confident	43 Å²	43	75.8 Å²	75.8	16%	0.163	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-45.6	174.9	172.1	80.6	0	0	0	112.3	T503 Y504 G510 H511 P560 H562 L563 P564	T503-W507 WeakPolarHBondContact O-CB 3.38Å; T503-W507 PolarHBondContact O-N 3.47Å; Y504-W507 AromaticContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CE3 3.74Å; Y504-W507 HydrophobicContact CD2-CZ3 4.15Å; Y504-W507 AromaticContact CE2-CE3 3.63Å; Y504-W507 HydrophobicContact CE2-CE3 3.63Å; Y504-W507 AromaticContact CE2-CZ3 3.56Å; Y504-W507 HydrophobicContact CE2-CZ3 3.56Å; Y504-W507 WeakPolarHBondContact O-CB 3.23Å; Y504-W507 PolarHBondContact O-N 3.25Å; Y504-W507 VanDerWaalsContact O-N 3.16Å; W507-G510 PolarHBondContact O-N 2.82Å; W507-H511 AromaticContact CD1-ND1 3.78Å; W507-H511 AromaticContact CE2-CE1 3.61Å; W507-H511 AromaticContact CE2-ND1 3.52Å; W507-H511 AromaticContact CZ2-CE1 3.77Å; W507-H511 AromaticContact CZ2-ND1 3.89Å; W507-H511 AromaticContact CZ2-NE2 3.9Å; W507-H511 AromaticContact NE1-CE1 3.2Å; W507-H511 PolarHBondContact NE1-CE1 3.26Å; W507-H511 AromaticContact NE1-ND1 3.25Å; W507-H511 PolarHBondContact NE1-ND1 3.09Å; W507-H511 WeakPolarHBondContact O-CB 3.38Å; W507-H511 PolarHBondContact O-N 3.28Å; W507-P560 PolarHBondContact NE1-O 3.33Å; W507-P560 VanDerWaalsContact NE1-O 3.1Å; W507-H562 VanDerWaalsContact CD1-O 3.27Å; W507-H562 VanDerWaalsContact NE1-C 3.32Å; W507-H562 PolarHBondContact NE1-O 2.74Å; W507-H562 VanDerWaalsContact NE1-O 3.11Å; W507-L563 HydrophobicContact CE3-CD1 4.29Å; W507-L563 HydrophobicContact CH2-CD1 4.34Å; W507-L563 HydrophobicContact CZ3-CD1 4.08Å; W507-P564 HydrophobicContact CB-CG 4.12Å; W507-P564 HydrophobicContact CG-CG 4.44Å
508	Q	88.1	Confident	80.6	Confident	89 Å²	89	80 Å²	80	42%	0.416	38%	0.375	S	S	.	.	H	α-helix	trans	-59.6	-50.7	177	-79	-166.4	-21.6	0	0	112	Y504 D505 G510 H511 Y512	Y504-Q508 HydrophobicContact CD1-CG 4.27Å; Y504-Q508 VanDerWaalsContact CE1-CD 3.5Å; Y504-Q508 HydrophobicContact CE1-CG 3.86Å; Y504-Q508 HydrophobicContact CE2-CG 4.26Å; Y504-Q508 WeakPolarHBondContact O-CG 3.16Å; Y504-Q508 PolarHBondContact O-N 3.02Å; Y504-Q508 PolarHBondContact OH-NE2 3.49Å; D505-Q508 PolarHBondContact O-N 3.02Å; Q508-G510 PolarHBondContact O-N 2.72Å; Q508-H511 WeakPolarHBondContact O-CB 3.39Å; Q508-H511 PolarHBondContact O-N 3.36Å; Q508-Y512 PolarHBondContact O-N 3.18Å
509	T	85.3	Confident	78.7	Confident	78 Å²	78	79.8 Å²	79.8	48%	0.479	38%	0.378	S	S	.	.	H	α-helix	trans	-61.6	-42.9	-179.6	49.9	0	0	0	0	112.1	D505 L506 Y512 H513	D505-T509 WeakPolarHBondContact O-CG2 3.41Å; D505-T509 PolarHBondContact O-N 2.84Å; D505-T509 VanDerWaalsContact O-N 3.09Å; D505-T509 PolarHBondContact O-OG1 3.16Å; L506-T509 PolarHBondContact O-OG1 3.49Å; L506-T509 VanDerWaalsContact O-OG1 3.04Å; T509-Y512 PolarHBondContact O-N 3.21Å; T509-H513 PolarHBondContact O-CD2 3.05Å; T509-H513 PolarHBondContact O-N 3.39Å; T509-H513 VanDerWaalsContact O-N 3.15Å
510	G	77.2	Confident	76.8	Confident	10 Å²	10	81 Å²	81	10%	0.103	39%	0.388	C	S	.	.	H	α-helix	trans	-62	-42.1	172.6	0	0	0	0	0	113.3	L506 W507 Q508 H513 H514	L506-G510 PolarHBondContact O-N 3.2Å; L506-G510 VanDerWaalsContact O-N 3.15Å; W507-G510 PolarHBondContact O-N 2.82Å; Q508-G510 PolarHBondContact O-N 2.72Å; G510-H513 PolarHBondContact O-N 2.8Å; G510-H514 PolarHBondContact O-N 2.91Å
511	H	70.2	Confident	74.9	Confident	69 Å²	69	83.1 Å²	83.1	32%	0.319	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-42.7	174.5	-102.1	68.1	0	0	0	112.3	W507 Q508 H513 H514 H515 P560 V561	W507-H511 AromaticContact CD1-ND1 3.78Å; W507-H511 AromaticContact CE2-CE1 3.61Å; W507-H511 AromaticContact CE2-ND1 3.52Å; W507-H511 AromaticContact CZ2-CE1 3.77Å; W507-H511 AromaticContact CZ2-ND1 3.89Å; W507-H511 AromaticContact CZ2-NE2 3.9Å; W507-H511 AromaticContact NE1-CE1 3.2Å; W507-H511 PolarHBondContact NE1-CE1 3.26Å; W507-H511 AromaticContact NE1-ND1 3.25Å; W507-H511 PolarHBondContact NE1-ND1 3.09Å; W507-H511 WeakPolarHBondContact O-CB 3.38Å; W507-H511 PolarHBondContact O-N 3.28Å; Q508-H511 WeakPolarHBondContact O-CB 3.39Å; Q508-H511 PolarHBondContact O-N 3.36Å; H511-H513 PolarHBondContact O-N 2.81Å; H511-H514 PolarHBondContact O-N 2.83Å; H511-H515 WeakPolarHBondContact O-CB 3.02Å; H511-H515 PolarHBondContact O-N 3.06Å; H511-P560 PolarHBondContact CE1-O 3.43Å; H511-V561 PolarHBondContact CE1-O 2.89Å
512	Y	60.7	Low	72.9	Confident	152 Å²	152	87.8 Å²	87.8	60%	0.596	43%	0.425	S	S	*	.	H	α-helix	trans	-58.5	-49.7	177.6	-174.3	-95.7	0	0	0	111.3	Q508 T509 H514 H515 H516	Q508-Y512 PolarHBondContact O-N 3.18Å; T509-Y512 PolarHBondContact O-N 3.21Å; Y512-H514 PolarHBondContact O-N 3.16Å; Y512-H515 PolarHBondContact O-N 2.92Å; Y512-H516 AromaticContact CZ-CD2 3.94Å; Y512-H516 WeakPolarHBondContact O-CB 3.39Å; Y512-H516 PolarHBondContact O-N 2.95Å
513	H	60.8	Low	70.8	Confident	133 Å²	133	88.5 Å²	88.5	62%	0.616	43%	0.433	S	S	*	.	H	α-helix	trans	-59.4	-44.7	175.4	-73.4	-62.1	0	0	0	112.4	T509 G510 H511 H515 H516 H517	T509-H513 PolarHBondContact O-CD2 3.05Å; T509-H513 PolarHBondContact O-N 3.39Å; T509-H513 VanDerWaalsContact O-N 3.15Å; G510-H513 PolarHBondContact O-N 2.8Å; H511-H513 PolarHBondContact O-N 2.81Å; H513-H515 PolarHBondContact O-N 2.87Å; H513-H516 PolarHBondContact O-N 2.92Å; H513-H517 WeakPolarHBondContact O-CB 3.47Å; H513-H517 PolarHBondContact O-N 3.19Å
514	H	59.2	Low	68.8	Low	122 Å²	122	90.3 Å²	90.3	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-66.5	-38.2	-179.1	-159.5	-41.4	0	0	0	112.4	G510 H511 Y512 H518	G510-H514 PolarHBondContact O-N 2.91Å; H511-H514 PolarHBondContact O-N 2.83Å; Y512-H514 PolarHBondContact O-N 3.16Å; H514-H518 WeakPolarHBondContact O-CB 3.43Å; H514-H518 PolarHBondContact O-N 2.91Å
515	H	59.6	Low	66.8	Low	124 Å²	124	96.2 Å²	96.2	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-68.9	-42.8	178.3	-146.2	-83.5	0	0	0	111.4	H511 Y512 H513 H518 Q519	H511-H515 WeakPolarHBondContact O-CB 3.02Å; H511-H515 PolarHBondContact O-N 3.06Å; Y512-H515 PolarHBondContact O-N 2.92Å; H513-H515 PolarHBondContact O-N 2.87Å; H515-H518 PolarHBondContact O-N 2.82Å; H515-Q519 PolarHBondContact O-N 3.09Å
516	H	59.3	Low	64.5	Low	96 Å²	96	97.7 Å²	97.7	44%	0.444	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-45.2	177	-138.3	-58.8	0	0	0	111.4	Y512 H513 H518 Q519 T520	Y512-H516 AromaticContact CZ-CD2 3.94Å; Y512-H516 WeakPolarHBondContact O-CB 3.39Å; Y512-H516 PolarHBondContact O-N 2.95Å; H513-H516 PolarHBondContact O-N 2.92Å; H516-H518 VanDerWaalsContact C-N 3.31Å; H516-H518 PolarHBondContact O-N 3.02Å; H516-Q519 PolarHBondContact O-N 3.49Å; H516-T520 PolarHBondContact O-N 3.11Å; H516-T520 PolarHBondContact O-OG1 2.57Å; H516-T520 VanDerWaalsContact O-OG1 3.1Å
517	H	57.8	Low	62.3	Low	133 Å²	133	97 Å²	97	62%	0.616	49%	0.494	S	S	*	.	H	α-helix	trans	-65.5	-34.6	178.9	-150	-47.6	0	0	0	112	H513 T521	H513-H517 WeakPolarHBondContact O-CB 3.47Å; H513-H517 PolarHBondContact O-N 3.19Å; H517-T521 WeakPolarHBondContact O-CB 3.21Å; H517-T521 PolarHBondContact O-N 3.09Å; H517-T521 PolarHBondContact O-OG1 3.24Å
518	H	56.6	Low	60.1	Low	102 Å²	102	102.2 Å²	102.2	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-72.2	-37.2	176.2	-154.2	-59.7	0	0	0	112.2	H514 H515 H516 T521 L522	H514-H518 WeakPolarHBondContact O-CB 3.43Å; H514-H518 PolarHBondContact O-N 2.91Å; H515-H518 PolarHBondContact O-N 2.82Å; H516-H518 VanDerWaalsContact C-N 3.31Å; H516-H518 PolarHBondContact O-N 3.02Å; H518-T521 PolarHBondContact O-N 2.87Å; H518-L522 WeakPolarHBondContact ND1-CD1 3.38Å; H518-L522 WeakPolarHBondContact O-CB 3.36Å; H518-L522 WeakPolarHBondContact O-CG 3.08Å; H518-L522 PolarHBondContact O-N 2.93Å
519	Q	57	Low	57.7	Low	103 Å²	103	105.2 Å²	105.2	48%	0.481	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-45.6	171.9	-76	179.7	-14.9	0	0	111.8	H515 H516 T521 L522 M523	H515-Q519 PolarHBondContact O-N 3.09Å; H516-Q519 PolarHBondContact O-N 3.49Å; Q519-T521 VanDerWaalsContact C-N 3.3Å; Q519-T521 PolarHBondContact O-N 3.34Å; Q519-L522 PolarHBondContact O-N 2.87Å; Q519-M523 WeakPolarHBondContact O-CB 3.49Å; Q519-M523 WeakPolarHBondContact O-CG 2.94Å; Q519-M523 PolarHBondContact O-N 3.02Å
520	T	58.7	Low	55.4	Low	76 Å²	76	110.5 Å²	110.5	47%	0.466	56%	0.556	S	S	.	*	H	α-helix	trans	-62.5	-35.3	175.2	-55.7	0	0	0	0	112.4	H516 T524	H516-T520 PolarHBondContact O-N 3.11Å; H516-T520 PolarHBondContact O-OG1 2.57Å; H516-T520 VanDerWaalsContact O-OG1 3.1Å; T520-T524 PolarHBondContact O-N 2.86Å; T520-T524 VanDerWaalsContact O-N 3.12Å; T520-T524 PolarHBondContact O-OG1 3.26Å
521	T	59.4	Low	53.4	Low	44 Å²	44	120.8 Å²	120.8	27%	0.27	59%	0.593	S	S	.	*	H	α-helix	trans	-73.3	-33.2	177.1	-53	0	0	0	0	112.5	H517 H518 Q519 T524 K525	H517-T521 WeakPolarHBondContact O-CB 3.21Å; H517-T521 PolarHBondContact O-N 3.09Å; H517-T521 PolarHBondContact O-OG1 3.24Å; H518-T521 PolarHBondContact O-N 2.87Å; Q519-T521 VanDerWaalsContact C-N 3.3Å; Q519-T521 PolarHBondContact O-N 3.34Å; T521-T524 WeakPolarHBondContact CA-OG1 3.34Å; T521-T524 PolarHBondContact O-OG1 3.39Å; T521-K525 HydrophobicContact CG2-CD 4.13Å; T521-K525 WeakPolarHBondContact O-CB 3.45Å; T521-K525 WeakPolarHBondContact O-CG 3.4Å; T521-K525 PolarHBondContact O-N 3.26Å; T521-K525 VanDerWaalsContact O-N 3.14Å
522	L	55.1	Low	51.7	Low	101 Å²	101	122.9 Å²	122.9	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-72.4	-42.1	173.5	-74	170.8	0	0	0	111.5	H518 Q519 T524 K525 A526	H518-L522 WeakPolarHBondContact ND1-CD1 3.38Å; H518-L522 WeakPolarHBondContact O-CB 3.36Å; H518-L522 WeakPolarHBondContact O-CG 3.08Å; H518-L522 PolarHBondContact O-N 2.93Å; Q519-L522 PolarHBondContact O-N 2.87Å; L522-T524 VanDerWaalsContact C-N 3.34Å; L522-T524 PolarHBondContact O-N 3.4Å; L522-K525 PolarHBondContact O-N 3Å; L522-A526 VanDerWaalsContact O-CB 3.24Å; L522-A526 WeakPolarHBondContact O-CB 3.31Å; L522-A526 PolarHBondContact O-N 2.81Å
523	M	52.1	Low	50.3	Low	151 Å²	151	122.7 Å²	122.7	74%	0.744	63%	0.625	S	S	*	*	H	α-helix	trans	-58.6	-42.7	175.6	-75.9	-75	169.6	0	0	112.4	Q519	Q519-M523 WeakPolarHBondContact O-CB 3.49Å; Q519-M523 WeakPolarHBondContact O-CG 2.94Å; Q519-M523 PolarHBondContact O-N 3.02Å
524	T	54.7	Low	49.1	Very low	83 Å²	83	125.2 Å²	125.2	51%	0.509	64%	0.636	S	S	.	*	H	α-helix	trans	-75	-32.2	178.6	45.3	0	0	0	0	113.6	T520 T521 L522 S527	T520-T524 PolarHBondContact O-N 2.86Å; T520-T524 VanDerWaalsContact O-N 3.12Å; T520-T524 PolarHBondContact O-OG1 3.26Å; T521-T524 WeakPolarHBondContact CA-OG1 3.34Å; T521-T524 PolarHBondContact O-OG1 3.39Å; L522-T524 VanDerWaalsContact C-N 3.34Å; L522-T524 PolarHBondContact O-N 3.4Å; T524-S527 PolarHBondContact O-OG 3.3Å
525	K	53.2	Low	47.7	Very low	145 Å²	145	124.8 Å²	124.8	63%	0.63	65%	0.647	S	S	*	*	H	α-helix	trans	-80.1	-25.3	175.5	-71.1	179.6	-179.7	178.3	0	113.6	T521 L522 S527 E528	T521-K525 HydrophobicContact CG2-CD 4.13Å; T521-K525 WeakPolarHBondContact O-CB 3.45Å; T521-K525 WeakPolarHBondContact O-CG 3.4Å; T521-K525 PolarHBondContact O-N 3.26Å; T521-K525 VanDerWaalsContact O-N 3.14Å; L522-K525 PolarHBondContact O-N 3Å; K525-S527 PolarHBondContact O-N 2.8Å; K525-E528 PolarHBondContact O-N 2.85Å
526	A	46.4	Very low	46.5	Very low	84 Å²	84	124.8 Å²	124.8	69%	0.694	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-21.1	177.3	0	0	0	0	0	113.7	L522 E528	L522-A526 VanDerWaalsContact O-CB 3.24Å; L522-A526 WeakPolarHBondContact O-CB 3.31Å; L522-A526 PolarHBondContact O-N 2.81Å; A526-E528 VanDerWaalsContact C-N 3.34Å
527	S	46.4	Very low	44.9	Very low	98 Å²	98	128.5 Å²	128.5	69%	0.685	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-13	171.7	38.9	0	0	0	0	114.6	T524 K525	T524-S527 PolarHBondContact O-OG 3.3Å; K525-S527 PolarHBondContact O-N 2.8Å
528	E	45.4	Very low	43.8	Very low	154 Å²	154	127.6 Å²	127.6	72%	0.72	69%	0.688	S	S	*	*	S	Bend	trans	-130.7	62.4	-172.1	-64.5	-164.6	145.9	0	0	113.1	K525 A526	K525-E528 PolarHBondContact O-N 2.85Å; A526-E528 VanDerWaalsContact C-N 3.34Å
529	N	36.7	Very low	42.5	Very low	152 Å²	152	127.5 Å²	127.5	81%	0.813	70%	0.698	S	S	*	*			trans	178.5	133.2	134.3	-93.1	-51.3	0	0	0	112.3
530	K	37.8	Very low	41.3	Very low	189 Å²	189	128.7 Å²	128.7	82%	0.822	71%	0.707	S	S	*	*			trans	-116.5	151.3	158	-81.7	-171.9	173.2	-174.5	0	108
531	Y	35.4	Very low	40.1	Very low	226 Å²	226	127.7 Å²	127.7	89%	0.886	70%	0.701	S	S	*	*			trans	67.1	129.9	-166.8	-49.2	-84.7	0	0	0	111.8
532	S	34.6	Very low	38.7	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	72%	0.718	S	S	*	*			cis	-152.6	146.7	17.3	53	0	0	0	0	112.3
533	D	30.5	Very low	37.7	Very low	149 Å²	149	133.1 Å²	133.1	80%	0.797	73%	0.728	S	S	*	*			trans	-69.3	141.7	175.1	-50.5	-80.5	0	0	0	113.5
534	H	36	Very low	36.6	Very low	186 Å²	186	131.9 Å²	131.9	86%	0.861	74%	0.735	S	S	*	*			trans	-178.1	139.6	141.2	-90.3	-35.1	0	0	0	111.9
535	S	30.3	Very low	35.8	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	75%	0.749	S	S	*	*			trans	64.4	156.1	161.2	88.8	0	0	0	0	117.6
536	T	32.9	Very low	34.9	Very low	125 Å²	125	140.5 Å²	140.5	77%	0.767	76%	0.759	S	S	*	*			cis	-158.4	153.8	-20.6	9.3	0	0	0	0	108.7
537	N	27	Very low	34.4	Very low	174 Å²	174	141.9 Å²	141.9	93%	0.93	76%	0.755	S	S	*	*			trans	-70.7	136.4	170.9	-74.5	-14.6	0	0	0	112.1
538	S	33.7	Very low	33.9	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	75%	0.752	S	S	*	*			trans	-152.5	150.9	158.7	62.3	0	0	0	0	111.1
539	S	29	Very low	33.3	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	76%	0.757	S	S	*	*			trans	-130.7	127.1	-173.4	50	0	0	0	0	111	S335	S335-S539 PolarHBondContact OG-O 2.89Å
540	I	33.2	Very low	33.2	Very low	127 Å²	127	140 Å²	140	65%	0.651	75%	0.753	S	S	*	*			trans	-136.5	89.8	-172.4	-68.7	-173.9	0	0	0	113
541	V	32.5	Very low	33	Very low	56 Å²	56	137.2 Å²	137.2	34%	0.339	75%	0.752	S	S	.	*			trans	32.4	145.4	131.6	-121.2	0	0	0	0	124.4	S335	S335-V541 VanDerWaalsContact CA-CG2 3.47Å; S335-V541 VanDerWaalsContact OG-CG2 3.31Å; S335-V541 WeakPolarHBondContact OG-CG2 3.33Å
542	N	29.4	Very low	32.7	Very low	120 Å²	120	132.5 Å²	132.5	64%	0.642	74%	0.742	S	S	*	*			trans	-7.8	140.9	147.3	-45.5	-7.6	0	0	0	118.4
543	N	34.4	Very low	32.6	Very low	139 Å²	139	133.4 Å²	133.4	74%	0.743	75%	0.745	S	S	*	*				-159	137.3	129.4	-118.1	-60.3	0	0	0	113.9	R545	N543-R545 PolarHBondContact O-N 2.95Å
544	S	28.4	Very low	33	Very low	125 Å²	125	131.3 Å²	131.3	87%	0.874	74%	0.738	S	S	*	*			trans	-68.9	110.5	172.8	-55.4	0	0	0	0	110.4
545	R	38.5	Very low	33	Very low	217 Å²	217	126.3 Å²	126.3	82%	0.819	74%	0.736	S	S	*	*			trans	-127.6	129	176	-71.6	-171.8	172	179.3	-1.7	112	N543	N543-R545 PolarHBondContact O-N 2.95Å
546	K	34.1	Very low	33.3	Very low	192 Å²	192	128 Å²	128	84%	0.835	74%	0.737	S	S	*	*			trans	-73.6	133.5	171.6	-63.3	162.4	-178.1	168	0	108	V548	K546-V548 HydrophobicContact CB-CG2 4.35Å; K546-V548 PolarHBondContact O-N 3.18Å
547	N	37	Very low	34	Very low	113 Å²	113	128.3 Å²	128.3	60%	0.604	74%	0.738	S	S	*	*			trans	-70.9	71.4	173.7	-76.3	-30	0	0	0	111.6	C549 D568	N547-C549 PolarHBondContact O-N 2.76Å; N547-D568 PolarHBondContact ND2-OD2 3.48Å
548	V	34.7	Very low	35.3	Very low	103 Å²	103	127 Å²	127	62%	0.624	73%	0.732	S	S	*	*			trans	-81.7	94.4	165.1	-174.5	0	0	0	0	107.2	K546 L550	K546-V548 HydrophobicContact CB-CG2 4.35Å; K546-V548 PolarHBondContact O-N 3.18Å; V548-L550 HydrophobicContact CG1-CD2 3.9Å; V548-L550 HydrophobicContact CG1-CG 4.06Å; V548-L550 PolarHBondContact O-N 2.92Å
549	C	33.7	Very low	36.3	Very low	122 Å²	122	124 Å²	124	82%	0.824	71%	0.708	S	S	*	*			trans	-64.8	98.4	167.7	-174.1	0	0	0	0	108.6	N547	N547-C549 PolarHBondContact O-N 2.76Å
550	L	34.5	Very low	37.8	Very low	140 Å²	140	122.9 Å²	122.9	73%	0.733	70%	0.699	S	S	*	*			trans	-81.7	120.3	174.9	-71.8	171.6	0	0	0	109	V548 N552	V548-L550 HydrophobicContact CG1-CD2 3.9Å; V548-L550 HydrophobicContact CG1-CG 4.06Å; V548-L550 PolarHBondContact O-N 2.92Å; L550-N552 PolarHBondContact O-N 2.73Å
551	T	33.7	Very low	39.5	Very low	130 Å²	130	122 Å²	122	80%	0.798	70%	0.699	S	S	*	*			trans	-75.1	91.7	178.4	52.2	0	0	0	0	110.9
552	N	28	Very low	41.8	Very low	127 Å²	127	125.8 Å²	125.8	68%	0.679	71%	0.712	S	S	*	*			trans	-67.4	132	163.6	-84.9	-21.7	0	0	0	109.5	L550 T554	L550-N552 PolarHBondContact O-N 2.73Å; N552-T554 PolarHBondContact O-N 2.85Å
553	P	33.6	Very low	44.7	Very low	130 Å²	130	121.4 Å²	121.4	84%	0.844	69%	0.689	S	S	*	*	S	Bend	trans	-69.8	15	-178.1	-22.3	34.7	0	0	0	116.4
554	T	38.6	Very low	47.6	Very low	106 Å²	106	115.4 Å²	115.4	65%	0.65	66%	0.658	S	S	*	*	S	Bend	trans	-130	69.2	-159.4	55.4	0	0	0	0	113.9	N552 N556	N552-T554 PolarHBondContact O-N 2.85Å; T554-N556 VanDerWaalsContact C-N 3.27Å; T554-N556 PolarHBondContact O-N 2.87Å
555	G	35.5	Very low	50.8	Low	80 Å²	80	111.4 Å²	111.4	83%	0.825	63%	0.625	S	S	*	*	S	Bend	trans	70.9	-42	149.1	0	0	0	0	0	119.6
556	N	37.9	Very low	53.5	Low	148 Å²	148	101.1 Å²	101.1	79%	0.791	59%	0.586	S	S	*	*			trans	-88.4	120	-174.1	-72.5	9.1	0	0	0	110.9	T554 D558	T554-N556 VanDerWaalsContact C-N 3.27Å; T554-N556 PolarHBondContact O-N 2.87Å; N556-D558 PolarHBondContact O-N 3.03Å
557	T	46.7	Very low	56.5	Low	131 Å²	131	92.6 Å²	92.6	80%	0.804	55%	0.551	S	S	*	*			trans	-82.7	98.1	169.3	51.6	0	0	0	0	109.7	V559	T557-V559 PolarHBondContact O-N 3.01Å; T557-V559 VanDerWaalsContact O-N 3.11Å
558	D	53.5	Low	59.4	Low	148 Å²	148	90.4 Å²	90.4	79%	0.791	54%	0.539	S	S	*	.			trans	-59.6	114.8	168.8	-75.3	-33.4	0	0	0	109.5	N556	N556-D558 PolarHBondContact O-N 3.03Å
559	V	54.9	Low	62.4	Low	50 Å²	50	86 Å²	86	30%	0.303	51%	0.512	S	S	.	.			trans	-65.6	134	175.5	176.8	0	0	0	0	108.4	T557 V561	T557-V559 PolarHBondContact O-N 3.01Å; T557-V559 VanDerWaalsContact O-N 3.11Å; V559-V561 PolarHBondContact O-N 3.3Å; V559-V561 VanDerWaalsContact O-N 3.15Å
560	P	60.6	Low	65.4	Low	77 Å²	77	80.4 Å²	80.4	50%	0.5	47%	0.474	S	S	.	.			trans	-58.3	122.9	176	-21.8	32.1	0	0	0	110.9	W507 H511 H562	W507-P560 PolarHBondContact NE1-O 3.33Å; W507-P560 VanDerWaalsContact NE1-O 3.1Å; H511-P560 PolarHBondContact CE1-O 3.43Å; P560-H562 PolarHBondContact O-N 2.67Å
561	V	69	Low	68.4	Low	107 Å²	107	75.6 Å²	75.6	65%	0.648	46%	0.455	S	S	*	.	S	Bend	trans	-69.6	-19.9	-177.6	-178.8	0	0	0	0	111.9	H511 V559	H511-V561 PolarHBondContact CE1-O 2.89Å; V559-V561 PolarHBondContact O-N 3.3Å; V559-V561 VanDerWaalsContact O-N 3.15Å
562	H	81.4	Confident	71.4	Confident	136 Å²	136	75.7 Å²	75.7	63%	0.63	44%	0.444	S	S	*	.	S	Bend	trans	-117.9	152.2	-175.1	-54.2	-55.6	0	0	0	112	W507 P560	W507-H562 VanDerWaalsContact CD1-O 3.27Å; W507-H562 VanDerWaalsContact NE1-C 3.32Å; W507-H562 PolarHBondContact NE1-O 2.74Å; W507-H562 VanDerWaalsContact NE1-O 3.11Å; P560-H562 PolarHBondContact O-N 2.67Å
563	L	90.3	Very high	74.7	Confident	28 Å²	28	70.7 Å²	70.7	15%	0.147	42%	0.417	C	S	.	.			trans	-48.4	137.2	170.8	-175.9	71	0	0	0	110.1	L146 N263 Y504 W507	L146-L563 HydrophobicContact CD1-CD1 4.02Å; L146-L563 HydrophobicContact CD1-CD2 4.37Å; N263-L563 HydrophobicContact CB-CD2 3.78Å; N263-L563 HydrophobicContact CB-CG 4.48Å; Y504-L563 HydrophobicContact CD2-CD1 3.56Å; Y504-L563 HydrophobicContact CE2-CD1 3.43Å; Y504-L563 VanDerWaalsContact CE2-CD1 3.43Å; W507-L563 HydrophobicContact CE3-CD1 4.29Å; W507-L563 HydrophobicContact CH2-CD1 4.34Å; W507-L563 HydrophobicContact CZ3-CD1 4.08Å
564	P	94.1	Very high	77.8	Confident	14 Å²	14	65.3 Å²	65.3	9%	0.091	38%	0.38	C	S	.	.			trans	-58	150.4	176.2	-24.5	35.2	0	0	0	111.9	Y500 T503 W507	Y500-P564 HydrophobicContact CD2-CB 4.48Å; Y500-P564 HydrophobicContact CE2-CB 3.93Å; Y500-P564 WeakPolarHBondContact CE2-O 3.37Å; Y500-P564 VanDerWaalsContact CZ-O 3.32Å; Y500-P564 PolarHBondContact OH-O 3.31Å; T503-P564 HydrophobicContact CG2-CB 4.02Å; T503-P564 HydrophobicContact CG2-CG 3.9Å; W507-P564 HydrophobicContact CB-CG 4.12Å; W507-P564 HydrophobicContact CG-CG 4.44Å
565	H	95.7	Very high	80.6	Confident	41 Å²	41	66.3 Å²	66.3	19%	0.19	38%	0.375	C	S	.	.			trans	-115.3	130.7	-178.5	-162.2	-83.8	0	0	0	110.5	N263 N280 S567 D568 I569	N263-H565 PolarHBondContact OD1-CD2 3.4Å; N280-H565 PolarHBondContact ND2-CE1 3.46Å; N280-H565 PolarHBondContact OD1-CE1 3.15Å; H565-S567 PolarHBondContact CE1-OG 2.92Å; H565-S567 VanDerWaalsContact CE1-OG 3.3Å; H565-S567 PolarHBondContact ND1-N 2.78Å; H565-S567 PolarHBondContact ND1-OG 2.85Å; H565-S567 PolarHBondContact O-N 3.48Å; H565-S567 VanDerWaalsContact O-N 3.15Å; H565-D568 PolarHBondContact O-N 2.96Å; H565-I569 PolarHBondContact O-N 3.1Å
566	V	97.2	Very high	83.5	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-53.8	-36.7	-178.5	161.3	0	0	0	0	112.5	L151 N263 V265 C266 I496 Y500 D568 I569 I570	L151-V566 HydrophobicContact CD1-CG2 3.91Å; L151-V566 HydrophobicContact CD2-CG2 3.92Å; N263-V566 WeakPolarHBondContact O-CG2 3.46Å; N263-V566 PolarHBondContact O-N 3.22Å; V265-V566 WeakPolarHBondContact O-CG1 3.39Å; C266-V566 HydrophobicContact CB-CG1 4.15Å; I496-V566 HydrophobicContact CG2-CG1 4.28Å; Y500-V566 HydrophobicContact CD2-CG2 3.62Å; Y500-V566 HydrophobicContact CE2-CG2 3.94Å; Y500-V566 HydrophobicContact CG-CG2 4.43Å; V566-D568 PolarHBondContact O-N 3.48Å; V566-I569 WeakPolarHBondContact O-CB 3.47Å; V566-I569 PolarHBondContact O-N 3.29Å; V566-I569 VanDerWaalsContact O-N 3.16Å; V566-I570 HydrophobicContact CG1-CD1 3.67Å; V566-I570 HydrophobicContact CG1-CG1 4.19Å; V566-I570 WeakPolarHBondContact O-CG1 3.43Å; V566-I570 PolarHBondContact O-N 3.11Å
567	S	96.6	Very high	86.3	Confident	14 Å²	14	60.6 Å²	60.6	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-31.1	178.1	69	0	0	0	0	115	S279 H565 I569 I570 A571	S279-S567 VanDerWaalsContact C-CB 3.47Å; S279-S567 WeakPolarHBondContact O-CB 3.14Å; S279-S567 WeakPolarHBondContact OG-CB 3.25Å; S279-S567 PolarHBondContact OG-OG 3.48Å; H565-S567 PolarHBondContact CE1-OG 2.92Å; H565-S567 VanDerWaalsContact CE1-OG 3.3Å; H565-S567 PolarHBondContact ND1-N 2.78Å; H565-S567 PolarHBondContact ND1-OG 2.85Å; H565-S567 PolarHBondContact O-N 3.48Å; H565-S567 VanDerWaalsContact O-N 3.15Å; S567-I569 VanDerWaalsContact C-N 3.3Å; S567-I570 PolarHBondContact O-N 2.77Å; S567-A571 VanDerWaalsContact O-CB 3.23Å; S567-A571 WeakPolarHBondContact O-CB 3.16Å; S567-A571 PolarHBondContact O-N 3.4Å
568	D	96.7	Very high	88.7	Confident	67 Å²	67	55.1 Å²	55.1	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-35.4	174	-79.9	-29.2	0	0	0	110.2	N547 H565 V566 K572	N547-D568 PolarHBondContact ND2-OD2 3.48Å; H565-D568 PolarHBondContact O-N 2.96Å; V566-D568 PolarHBondContact O-N 3.48Å; D568-K572 VanDerWaalsContact O-CB 3.23Å; D568-K572 WeakPolarHBondContact O-CB 3.31Å; D568-K572 PolarHBondContact O-N 2.95Å
569	I	97.9	Very high	90.6	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-48.1	173.9	-53.7	-60	0	0	0	111	I496 N499 Y500 H565 V566 S567 A571 K572 L573	I496-I569 HydrophobicContact CG2-CG2 4.22Å; N499-I569 HydrophobicContact CB-CG2 3.59Å; Y500-I569 HydrophobicContact CD2-CG1 4.19Å; H565-I569 PolarHBondContact O-N 3.1Å; V566-I569 WeakPolarHBondContact O-CB 3.47Å; V566-I569 PolarHBondContact O-N 3.29Å; V566-I569 VanDerWaalsContact O-N 3.16Å; S567-I569 VanDerWaalsContact C-N 3.3Å; I569-A571 PolarHBondContact O-N 3.2Å; I569-K572 PolarHBondContact O-N 3.25Å; I569-L573 HydrophobicContact CG2-CD1 3.93Å; I569-L573 HydrophobicContact CG2-CG 4.47Å; I569-L573 WeakPolarHBondContact O-CB 3.49Å; I569-L573 WeakPolarHBondContact O-CG 3.44Å; I569-L573 PolarHBondContact O-N 2.82Å
570	I	98	Very high	92.4	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-48.9	174.8	-71.1	171.7	0	0	0	110.3	I282 I496 V566 S567 K572 L573 R574 W715	I282-I570 HydrophobicContact CG1-CD1 4.26Å; I496-I570 HydrophobicContact CD1-CG1 3.91Å; I496-I570 HydrophobicContact CG1-CG1 4.28Å; I496-I570 HydrophobicContact CG2-CG1 4.45Å; V566-I570 HydrophobicContact CG1-CD1 3.67Å; V566-I570 HydrophobicContact CG1-CG1 4.19Å; V566-I570 WeakPolarHBondContact O-CG1 3.43Å; V566-I570 PolarHBondContact O-N 3.11Å; S567-I570 PolarHBondContact O-N 2.77Å; I570-K572 VanDerWaalsContact C-N 3.33Å; I570-K572 PolarHBondContact O-N 3.06Å; I570-L573 PolarHBondContact O-N 2.76Å; I570-R574 HydrophobicContact CG2-CG 4.4Å; I570-R574 WeakPolarHBondContact O-CB 3.43Å; I570-R574 VanDerWaalsContact O-CG 3.31Å; I570-R574 WeakPolarHBondContact O-CG 3.38Å; I570-R574 PolarHBondContact O-N 3.23Å; I570-W715 HydrophobicContact CB-CH2 4.32Å; I570-W715 HydrophobicContact CG1-CH2 4.27Å; I570-W715 HydrophobicContact CG2-CH2 3.9Å; I570-W715 HydrophobicContact CG2-CZ2 4.28Å
571	A	97.2	Very high	94	Very high	39 Å²	39	53 Å²	53	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-32.2	-179.8	0	0	0	0	0	113	S567 I569 K575	S567-A571 VanDerWaalsContact O-CB 3.23Å; S567-A571 WeakPolarHBondContact O-CB 3.16Å; S567-A571 PolarHBondContact O-N 3.4Å; I569-A571 PolarHBondContact O-N 3.2Å; A571-K575 VanDerWaalsContact O-CD 3.29Å; A571-K575 WeakPolarHBondContact O-CD 3.45Å; A571-K575 WeakPolarHBondContact O-CG 3.39Å; A571-K575 PolarHBondContact O-N 2.85Å
572	K	96.6	Very high	95.2	Very high	131 Å²	131	48.3 Å²	48.3	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-69.8	-46.6	174.4	-177.1	179.6	179.1	-177.2	0	111.8	D568 I569 I570 K575	D568-K572 VanDerWaalsContact O-CB 3.23Å; D568-K572 WeakPolarHBondContact O-CB 3.31Å; D568-K572 PolarHBondContact O-N 2.95Å; I569-K572 PolarHBondContact O-N 3.25Å; I570-K572 VanDerWaalsContact C-N 3.33Å; I570-K572 PolarHBondContact O-N 3.06Å; K572-K575 PolarHBondContact O-N 3.19Å
573	L	97.4	Very high	95.9	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-42.6	-179.9	-71.4	172.1	0	0	0	112.1	I496 I569 I570 K575 T576 W715	I496-L573 HydrophobicContact CB-CD1 4.47Å; I496-L573 HydrophobicContact CG1-CD1 3.75Å; I569-L573 HydrophobicContact CG2-CD1 3.93Å; I569-L573 HydrophobicContact CG2-CG 4.47Å; I569-L573 WeakPolarHBondContact O-CB 3.49Å; I569-L573 WeakPolarHBondContact O-CG 3.44Å; I569-L573 PolarHBondContact O-N 2.82Å; I570-L573 PolarHBondContact O-N 2.76Å; L573-K575 VanDerWaalsContact C-N 3.29Å; L573-K575 PolarHBondContact O-N 3.1Å; L573-T576 PolarHBondContact O-N 3.34Å; L573-T576 PolarHBondContact O-OG1 2.76Å; L573-W715 HydrophobicContact CB-CE3 4.06Å; L573-W715 HydrophobicContact CB-CZ3 3.61Å; L573-W715 HydrophobicContact CD1-CZ3 4.21Å
574	R	97.5	Very high	96.3	Very high	18 Å²	18	41.1 Å²	41.1	7%	0.068	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-37.2	176.5	-70	175.5	64.9	84.6	-1.6	112	I570 T576 V577 S607 L608 H712 W715	I570-R574 HydrophobicContact CG2-CG 4.4Å; I570-R574 WeakPolarHBondContact O-CB 3.43Å; I570-R574 VanDerWaalsContact O-CG 3.31Å; I570-R574 WeakPolarHBondContact O-CG 3.38Å; I570-R574 PolarHBondContact O-N 3.23Å; R574-T576 PolarHBondContact O-N 2.96Å; R574-T576 VanDerWaalsContact O-N 3.12Å; R574-V577 WeakPolarHBondContact O-CB 3.14Å; R574-V577 VanDerWaalsContact O-CG2 3.24Å; R574-V577 WeakPolarHBondContact O-CG2 3.41Å; R574-V577 PolarHBondContact O-N 3.23Å; R574-V577 VanDerWaalsContact O-N 3.09Å; R574-S607 CarbonylContact C-O 3.57Å; R574-S607 WeakPolarHBondContact CB-O 3.42Å; R574-S607 PolarHBondContact NH2-OG 2.89Å; R574-L608 HydrophobicContact CB-CD2 4.31Å; R574-L608 CarbonylContact O-C 3.53Å; R574-L608 VanDerWaalsContact O-C 3.24Å; R574-L608 WeakPolarHBondContact O-CA 3.39Å; R574-H712 PolarHBondContact NH1-CE1 3.01Å; R574-H712 PolarHBondContact NH1-ND1 3.14Å; R574-H712 PolarHBondContact NH2-CE1 3.35Å; R574-H712 VanDerWaalsContact NH2-CE1 3.29Å; R574-H712 PolarHBondContact NH2-ND1 3.04Å; R574-W715 HydrophobicContact CG-CD2 3.91Å; R574-W715 HydrophobicContact CG-CE3 4Å; R574-W715 HydrophobicContact CG-CH2 3.7Å; R574-W715 HydrophobicContact CG-CZ2 3.57Å; R574-W715 HydrophobicContact CG-CZ3 3.92Å
575	K	97.1	Very high	96.4	Very high	126 Å²	126	40.4 Å²	40.4	55%	0.548	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.6	178.3	-80	169.4	-173.2	169.8	0	115.3	A571 K572 L573 V577	A571-K575 VanDerWaalsContact O-CD 3.29Å; A571-K575 WeakPolarHBondContact O-CD 3.45Å; A571-K575 WeakPolarHBondContact O-CG 3.39Å; A571-K575 PolarHBondContact O-N 2.85Å; K572-K575 PolarHBondContact O-N 3.19Å; L573-K575 VanDerWaalsContact C-N 3.29Å; L573-K575 PolarHBondContact O-N 3.1Å; K575-V577 VanDerWaalsContact C-N 3.35Å
576	T	96.4	Very high	96.3	Very high	100 Å²	100	38.9 Å²	38.9	61%	0.613	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.5	177.2	64	0	0	0	0	113.5	L573 R574	L573-T576 PolarHBondContact O-N 3.34Å; L573-T576 PolarHBondContact O-OG1 2.76Å; R574-T576 PolarHBondContact O-N 2.96Å; R574-T576 VanDerWaalsContact O-N 3.12Å
577	V	97.5	Very high	96.2	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-51.3	-172.2	178.8	0	0	0	0	112.6	R574 K575 L608 C711 W715 H717	R574-V577 WeakPolarHBondContact O-CB 3.14Å; R574-V577 VanDerWaalsContact O-CG2 3.24Å; R574-V577 WeakPolarHBondContact O-CG2 3.41Å; R574-V577 PolarHBondContact O-N 3.23Å; R574-V577 VanDerWaalsContact O-N 3.09Å; K575-V577 VanDerWaalsContact C-N 3.35Å; V577-L608 HydrophobicContact CB-CB 4.2Å; V577-L608 HydrophobicContact CB-CD2 4.06Å; V577-L608 HydrophobicContact CG1-CD1 4.44Å; V577-L608 HydrophobicContact CG1-CD2 4.17Å; V577-L608 HydrophobicContact CG2-CD2 4.18Å; V577-C711 HydrophobicContact CG1-CB 4.29Å; V577-W715 HydrophobicContact CG2-CB 4.08Å; V577-W715 WeakPolarHBondContact CG2-O 3.2Å; V577-H717 WeakPolarHBondContact O-CB 3.5Å
578	L	97.2	Very high	95.7	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.079	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-33	172.7	-56.3	-178.4	0	0	0	111.4	C582 I584 L608 W707 L708 C711	L578-C582 HydrophobicContact CB-CB 3.8Å; L578-C582 WeakPolarHBondContact O-CB 3.43Å; L578-I584 HydrophobicContact CD1-CD1 3.68Å; L578-L608 HydrophobicContact CB-CB 4.33Å; L578-L608 WeakPolarHBondContact CB-O 3.43Å; L578-L608 HydrophobicContact CD1-CB 3.78Å; L578-L608 HydrophobicContact CD1-CD1 4.11Å; L578-L608 HydrophobicContact CG-CB 3.66Å; L578-L608 HydrophobicContact CG-CD1 4.19Å; L578-L608 PolarHBondContact N-O 2.88Å; L578-W707 HydrophobicContact CD2-CH2 3.95Å; L578-W707 HydrophobicContact CD2-CZ2 4.32Å; L578-L708 HydrophobicContact CD1-CD1 4.19Å; L578-C711 HydrophobicContact CD2-CB 4.07Å
579	G	93.4	Very high	95.3	Very high	11 Å²	11	37.3 Å²	37.3	11%	0.113	21%	0.212	C	C	.	.			trans	65.7	174.7	-179.8	0	0	0	0	0	114.9	N581 C582 L608 G609	G579-N581 PolarHBondContact O-N 2.97Å; G579-C582 PolarHBondContact O-N 3.39Å; G579-L608 PolarHBondContact N-O 3.36Å; G579-G609 CarbonylContact C-O 3.55Å; G579-G609 CarbonylContact O-C 3.58Å; G579-G609 VanDerWaalsContact O-O 3.1Å
580	P	93.7	Very high	94.5	Very high	87 Å²	87	38.2 Å²	38.2	57%	0.565	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-19.1	-172.3	28.4	-36.1	0	0	0	113.9	I611	P580-I611 WeakPolarHBondContact O-CD1 3.34Å
581	N	92.5	Very high	93.4	Very high	134 Å²	134	39.5 Å²	39.5	72%	0.717	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.5	-179.1	-63.2	-17.2	0	0	0	112.7	G579 H583	G579-N581 PolarHBondContact O-N 2.97Å; N581-H583 PolarHBondContact O-CD2 3.45Å; N581-H583 VanDerWaalsContact O-CD2 3.24Å; N581-H583 PolarHBondContact O-N 3.14Å
582	C	95.8	Very high	92.2	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.047	26%	0.257	C	S	.	.			trans	-81.1	90.8	-179.3	-169.5	0	0	0	0	110.6	L578 G579 G610 I611	L578-C582 HydrophobicContact CB-CB 3.8Å; L578-C582 WeakPolarHBondContact O-CB 3.43Å; G579-C582 PolarHBondContact O-N 3.39Å; C582-G610 WeakPolarHBondContact O-CA 3.4Å; C582-I611 PolarHBondContact O-N 2.88Å
583	H	96.3	Very high	91	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.06	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.7	177.1	-66.6	-70.8	0	0	0	111.1	N581 I611 H613 H661 Y662 T664 H665	N581-H583 PolarHBondContact O-CD2 3.45Å; N581-H583 VanDerWaalsContact O-CD2 3.24Å; N581-H583 PolarHBondContact O-N 3.14Å; H583-I611 CarbonylContact C-O 3.49Å; H583-I611 WeakPolarHBondContact CA-O 3.32Å; H583-H613 AromaticContact CE1-NE2 3.97Å; H583-H613 AromaticContact ND1-NE2 3.38Å; H583-H613 PolarHBondContact ND1-NE2 2.71Å; H583-H661 AromaticContact CE1-CG 3.57Å; H583-H661 AromaticContact CE1-ND1 3.24Å; H583-H661 PolarHBondContact CE1-ND1 2.59Å; H583-H661 AromaticContact NE2-CE1 3.93Å; H583-H661 AromaticContact NE2-CG 3.62Å; H583-H661 AromaticContact NE2-ND1 2.9Å; H583-H661 PolarHBondContact NE2-ND1 2.74Å; H583-Y662 WeakPolarHBondContact CB-O 3.48Å; H583-T664 HydrophobicContact CB-CG2 4.24Å; H583-T664 PolarHBondContact N-OG1 2.91Å; H583-T664 PolarHBondContact O-N 3.08Å; H583-T664 PolarHBondContact O-OG1 3.25Å; H583-H665 PolarHBondContact O-N 3.09Å
584	I	96.9	Very high	89.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.5	-170.4	-77.7	162.5	0	0	0	111.8	L578 L586 V605 I611 L612 H613 H665 I667 W707	L578-I584 HydrophobicContact CD1-CD1 3.68Å; I584-L586 HydrophobicContact CG2-CD2 4.03Å; I584-V605 HydrophobicContact CB-CG1 4.1Å; I584-V605 HydrophobicContact CB-CG2 4.47Å; I584-V605 HydrophobicContact CD1-CG1 3.91Å; I584-V605 HydrophobicContact CD1-CG2 3.99Å; I584-V605 HydrophobicContact CG2-CG1 4.25Å; I584-V605 HydrophobicContact CG2-CG2 3.84Å; I584-I611 PolarHBondContact N-O 3Å; I584-L612 HydrophobicContact CG2-CD1 4.19Å; I584-H613 PolarHBondContact O-N 2.95Å; I584-H665 CarbonylContact C-O 3.57Å; I584-H665 WeakPolarHBondContact CA-O 3.45Å; I584-H665 HydrophobicContact CG1-CB 3.64Å; I584-I667 HydrophobicContact CD1-CD1 4.2Å; I584-I667 HydrophobicContact CG1-CD1 4.25Å; I584-I667 HydrophobicContact CG2-CD1 3.49Å; I584-I667 VanDerWaalsContact CG2-CD1 3.49Å; I584-I667 HydrophobicContact CG2-CG1 4.07Å; I584-W707 HydrophobicContact CD1-CH2 4.21Å; I584-W707 HydrophobicContact CD1-CZ3 3.98Å
585	T	96.1	Very high	88.9	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.1	166	-59.2	0	0	0	0	110.1	L616 T663 H665 L666 I667 K675	T585-L616 HydrophobicContact CG2-CB 4.25Å; T585-T663 WeakPolarHBondContact OG1-CG2 3.33Å; T585-T663 PolarHBondContact OG1-OG1 3.33Å; T585-H665 PolarHBondContact N-O 3.35Å; T585-L666 HydrophobicContact CG2-CD1 4.2Å; T585-L666 WeakPolarHBondContact O-CD1 3.17Å; T585-I667 PolarHBondContact O-N 3.37Å; T585-K675 HydrophobicContact CG2-CD 4.06Å
586	L	95.1	Very high	88.2	Confident	9 Å²	9	45.2 Å²	45.2	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.7	178.1	-55.6	179.8	0	0	0	111.5	I584 L589 A601 L612 I667 K675	I584-L586 HydrophobicContact CG2-CD2 4.03Å; L586-L589 HydrophobicContact CB-CB 4.34Å; L586-L589 HydrophobicContact CD1-CB 4.5Å; L586-L589 HydrophobicContact CD2-CD1 3.93Å; L586-A601 HydrophobicContact CD1-CB 3.71Å; L586-A601 HydrophobicContact CD2-CB 4.29Å; L586-L612 HydrophobicContact CD1-CD1 4.11Å; L586-L612 HydrophobicContact CG-CD1 3.87Å; L586-I667 CarbonylContact C-O 3.45Å; L586-I667 HydrophobicContact CD2-CB 4.09Å; L586-I667 HydrophobicContact CD2-CD1 3.97Å; L586-I667 HydrophobicContact CD2-CG1 4.45Å; L586-K675 PolarHBondContact O-NZ 3.38Å
587	S	93.6	Very high	87.6	Confident	7 Å²	7	43.8 Å²	43.8	5%	0.049	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	112	170.7	-163.4	0	0	0	0	111.4	L589 I667 A668 C669 T673	S587-L589 PolarHBondContact O-N 3.33Å; S587-I667 PolarHBondContact N-O 3.07Å; S587-A668 WeakPolarHBondContact O-CA 3.33Å; S587-C669 PolarHBondContact O-N 3.15Å; S587-T673 WeakPolarHBondContact OG-CB 3.35Å; S587-T673 PolarHBondContact OG-OG1 3.05Å
588	G	88	Confident	86.9	Confident	38 Å²	38	51 Å²	51	39%	0.392	29%	0.294	S	S	.	.	S	Bend	trans	73.1	7.3	179.2	0	0	0	0	0	115.9	C669 P731	G588-C669 PolarHBondContact O-SG 2.79Å; G588-P731 WeakPolarHBondContact O-CG 3.39Å
589	L	86.8	Confident	86.4	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	29%	0.292	C	S	.	.	S	Bend	trans	-90.8	-24.4	172.5	-84.6	165.9	0	0	0	113.9	L586 S587 A601 I667 C669 P705 W709	L586-L589 HydrophobicContact CB-CB 4.34Å; L586-L589 HydrophobicContact CD1-CB 4.5Å; L586-L589 HydrophobicContact CD2-CD1 3.93Å; S587-L589 PolarHBondContact O-N 3.33Å; L589-A601 HydrophobicContact CB-CB 4.26Å; L589-A601 HydrophobicContact CD1-CB 4.38Å; L589-I667 HydrophobicContact CD1-CB 4.23Å; L589-I667 HydrophobicContact CD1-CG2 3.61Å; L589-C669 WeakPolarHBondContact CD2-SG 3.4Å; L589-C669 VanDerWaalsContact CG-SG 3.52Å; L589-P705 HydrophobicContact CD1-CB 4.04Å; L589-P705 HydrophobicContact CD1-CG 4.16Å; L589-P705 HydrophobicContact CD2-CB 3.92Å; L589-P705 HydrophobicContact CD2-CG 4Å; L589-P705 HydrophobicContact CG-CB 4.43Å; L589-P705 HydrophobicContact CG-CG 4.26Å; L589-W709 HydrophobicContact CD2-CH2 4.34Å; L589-W709 HydrophobicContact CD2-CZ3 4.24Å
590	S	82.3	Confident	86.1	Confident	27 Å²	27	50.8 Å²	50.8	19%	0.189	29%	0.291	C	S	.	.	S	Bend	trans	-100	136.1	172.9	-157	0	0	0	0	109.6	F594 A596	S590-F594 PolarHBondContact OG-O 3.48Å; S590-A596 WeakPolarHBondContact OG-CA 3.38Å
591	P	73.3	Confident	86.1	Confident	34 Å²	34	46.7 Å²	46.7	22%	0.221	26%	0.264	C	S	.	.			trans	-54.6	141.3	165.1	-22.7	32.7	0	0	0	110.6	H593 F594 I738	P591-H593 PolarHBondContact O-N 3.28Å; P591-F594 HydrophobicContact CB-CB 3.94Å; P591-F594 HydrophobicContact CG-CB 4.18Å; P591-F594 PolarHBondContact O-N 3.01Å; P591-F594 VanDerWaalsContact O-O 3.12Å; P591-I738 HydrophobicContact CG-CD1 4.34Å; P591-I738 HydrophobicContact CG-CG1 4.37Å; P591-I738 HydrophobicContact CG-CG2 4.38Å
592	A	72.9	Confident	86.1	Confident	114 Å²	114	40.3 Å²	40.3	94%	0.942	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.6	-170.7	0	0	0	0	0	114.3
593	H	71.1	Confident	86	Confident	166 Å²	166	46.2 Å²	46.2	77%	0.769	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7	174.2	56.3	-110	0	0	0	113.2	P591	P591-H593 PolarHBondContact O-N 3.28Å
594	F	71.5	Confident	85.9	Confident	92 Å²	92	45.9 Å²	45.9	40%	0.404	25%	0.25	S	C	.	.	S	Bend	trans	-109.6	126.9	-172.3	-155.3	-105.9	0	0	0	111	S590 P591 A596 R598 C599	S590-F594 PolarHBondContact OG-O 3.48Å; P591-F594 HydrophobicContact CB-CB 3.94Å; P591-F594 HydrophobicContact CG-CB 4.18Å; P591-F594 PolarHBondContact O-N 3.01Å; P591-F594 VanDerWaalsContact O-O 3.12Å; F594-A596 PolarHBondContact O-N 3.42Å; F594-R598 HydrophobicContact CD1-CB 4.18Å; F594-R598 HydrophobicContact CE1-CB 3.5Å; F594-R598 HydrophobicContact CZ-CB 3.99Å; F594-C599 HydrophobicContact CD1-CB 4.07Å; F594-C599 HydrophobicContact CE1-CB 4.36Å
595	P	79.7	Confident	85.9	Confident	58 Å²	58	45.9 Å²	45.9	38%	0.377	25%	0.25	S	C	.	.			trans	-58.2	127.2	-179.5	-24.1	33.8	0	0	0	111.8	D597 R598	P595-D597 WeakPolarHBondContact CB-OD1 3.29Å; P595-D597 PolarHBondContact O-N 3.33Å; P595-R598 HydrophobicContact CB-CG 4.24Å; P595-R598 PolarHBondContact O-N 2.95Å
596	A	82.3	Confident	85.8	Confident	25 Å²	25	51.4 Å²	51.4	21%	0.207	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.5	-175.8	0	0	0	0	0	113.2	S590 F594 R598 C599 G602 L612	S590-A596 WeakPolarHBondContact OG-CA 3.38Å; F594-A596 PolarHBondContact O-N 3.42Å; A596-R598 VanDerWaalsContact C-N 3.3Å; A596-C599 PolarHBondContact O-SG 2.89Å; A596-C599 VanDerWaalsContact O-SG 3.37Å; A596-G602 WeakPolarHBondContact O-CA 3.1Å; A596-L612 VanDerWaalsContact O-CD2 3.22Å; A596-L612 WeakPolarHBondContact O-CD2 3.41Å
597	D	83.4	Confident	85.8	Confident	71 Å²	71	52.9 Å²	52.9	38%	0.38	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.4	172.3	58	-68.6	0	0	0	114.7	P595 R606 L612	P595-D597 WeakPolarHBondContact CB-OD1 3.29Å; P595-D597 PolarHBondContact O-N 3.33Å; D597-R606 PolarHBondContact O-NH1 3.4Å; D597-L612 HydrophobicContact CB-CD2 4.43Å
598	R	82.8	Confident	86	Confident	160 Å²	160	52.5 Å²	52.5	60%	0.604	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-25.6	-174	-61.5	-172.7	179.3	-157.4	-2.5	114.5	F594 P595 A596	F594-R598 HydrophobicContact CD1-CB 4.18Å; F594-R598 HydrophobicContact CE1-CB 3.5Å; F594-R598 HydrophobicContact CZ-CB 3.99Å; P595-R598 HydrophobicContact CB-CG 4.24Å; P595-R598 PolarHBondContact O-N 2.95Å; A596-R598 VanDerWaalsContact C-N 3.3Å
599	C	86.4	Confident	86.4	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.034	27%	0.27	C	S	.	.	S	Bend	trans	-65.4	162.7	178.6	64.4	0	0	0	0	112	F594 A596 A601 G602 R603	F594-C599 HydrophobicContact CD1-CB 4.07Å; F594-C599 HydrophobicContact CE1-CB 4.36Å; A596-C599 PolarHBondContact O-SG 2.89Å; A596-C599 VanDerWaalsContact O-SG 3.37Å; C599-A601 VanDerWaalsContact C-N 3.3Å; C599-A601 PolarHBondContact O-N 2.96Å; C599-G602 PolarHBondContact O-N 2.84Å; C599-R603 PolarHBondContact O-N 3.13Å
600	L	88	Confident	86.9	Confident	17 Å²	17	51.6 Å²	51.6	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-56.4	-44.6	-175.4	-177.8	54.8	0	0	0	111.8	W277 G602 R603 I604 W709 D735	W277-L600 HydrophobicContact CH2-CD1 3.4Å; W277-L600 HydrophobicContact CH2-CD2 4.28Å; W277-L600 HydrophobicContact CH2-CG 4.49Å; W277-L600 HydrophobicContact CZ2-CD1 3.92Å; W277-L600 HydrophobicContact CZ3-CD1 3.77Å; L600-G602 PolarHBondContact O-N 2.8Å; L600-R603 WeakPolarHBondContact O-CB 3.35Å; L600-R603 PolarHBondContact O-N 3.19Å; L600-I604 HydrophobicContact CD1-CD1 4.03Å; L600-I604 HydrophobicContact CD1-CG1 4.18Å; L600-I604 HydrophobicContact CG-CD1 3.87Å; L600-I604 HydrophobicContact CG-CG1 4.46Å; L600-I604 WeakPolarHBondContact O-CB 3.35Å; L600-I604 VanDerWaalsContact O-CG1 3.3Å; L600-I604 WeakPolarHBondContact O-CG1 3.37Å; L600-I604 PolarHBondContact O-N 2.99Å; L600-W709 HydrophobicContact CD2-CZ2 4.17Å; L600-W709 HydrophobicContact CG-CZ2 4.19Å; L600-D735 HydrophobicContact CB-CB 4.28Å; L600-D735 WeakPolarHBondContact CB-OD2 3.33Å; L600-D735 HydrophobicContact CD2-CB 4.18Å; L600-D735 PolarHBondContact N-OD2 3.49Å
601	A	92.9	Very high	87.5	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-54.5	-47	174	0	0	0	0	0	112.6	L586 L589 C599 I604 V605 L708 W709	L586-A601 HydrophobicContact CD1-CB 3.71Å; L586-A601 HydrophobicContact CD2-CB 4.29Å; L589-A601 HydrophobicContact CB-CB 4.26Å; L589-A601 HydrophobicContact CD1-CB 4.38Å; C599-A601 VanDerWaalsContact C-N 3.3Å; C599-A601 PolarHBondContact O-N 2.96Å; A601-I604 PolarHBondContact O-N 3.14Å; A601-V605 VanDerWaalsContact O-CG2 3.25Å; A601-V605 WeakPolarHBondContact O-CG2 3.34Å; A601-V605 PolarHBondContact O-N 3.35Å; A601-L708 HydrophobicContact CB-CD2 4.29Å; A601-W709 HydrophobicContact CB-CH2 3.84Å; A601-W709 HydrophobicContact CB-CZ3 4.2Å
602	G	93.7	Very high	88.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-30.4	-179.7	0	0	0	0	0	114.3	A596 C599 L600 R606	A596-G602 WeakPolarHBondContact O-CA 3.1Å; C599-G602 PolarHBondContact O-N 2.84Å; L600-G602 PolarHBondContact O-N 2.8Å; G602-R606 PolarHBondContact O-N 2.9Å
603	R	92.1	Very high	89.5	Confident	131 Å²	131	48.4 Å²	48.4	49%	0.494	23%	0.232	S	C	.	.	H	α-helix	trans	-67.3	-48.9	169.6	-74.4	175.5	159	-155.5	-5.8	110.9	C599 L600 R606 S607	C599-R603 PolarHBondContact O-N 3.13Å; L600-R603 WeakPolarHBondContact O-CB 3.35Å; L600-R603 PolarHBondContact O-N 3.19Å; R603-R606 PolarHBondContact O-N 2.81Å; R603-S607 WeakPolarHBondContact O-CB 3.47Å; R603-S607 PolarHBondContact O-N 2.89Å
604	I	94.9	Very high	90.4	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-54.9	177.5	-71.1	168.3	0	0	0	110.2	L600 A601 R606 S607 L608 L708 W709 H712	L600-I604 HydrophobicContact CD1-CD1 4.03Å; L600-I604 HydrophobicContact CD1-CG1 4.18Å; L600-I604 HydrophobicContact CG-CD1 3.87Å; L600-I604 HydrophobicContact CG-CG1 4.46Å; L600-I604 WeakPolarHBondContact O-CB 3.35Å; L600-I604 VanDerWaalsContact O-CG1 3.3Å; L600-I604 WeakPolarHBondContact O-CG1 3.37Å; L600-I604 PolarHBondContact O-N 2.99Å; A601-I604 PolarHBondContact O-N 3.14Å; I604-R606 VanDerWaalsContact C-N 3.31Å; I604-R606 PolarHBondContact O-N 2.88Å; I604-S607 PolarHBondContact O-N 3.05Å; I604-S607 PolarHBondContact O-OG 3.02Å; I604-L608 HydrophobicContact CG2-CD1 3.82Å; I604-L608 HydrophobicContact CG2-CG 4.32Å; I604-L608 WeakPolarHBondContact O-CG 3.3Å; I604-L608 PolarHBondContact O-N 3.14Å; I604-L708 HydrophobicContact CG2-CD1 3.91Å; I604-L708 HydrophobicContact CG2-CD2 4.28Å; I604-L708 HydrophobicContact CG2-CG 3.87Å; I604-W709 HydrophobicContact CD1-CD2 4.32Å; I604-W709 HydrophobicContact CD1-CH2 4.35Å; I604-W709 HydrophobicContact CD1-CZ2 3.76Å; I604-H712 HydrophobicContact CG2-CB 3.72Å
605	V	96.8	Very high	91.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-47.1	-51.4	179.6	166.9	0	0	0	0	112.2	I584 A601 L608 G609 G610 L612 L708	I584-V605 HydrophobicContact CB-CG1 4.1Å; I584-V605 HydrophobicContact CB-CG2 4.47Å; I584-V605 HydrophobicContact CD1-CG1 3.91Å; I584-V605 HydrophobicContact CD1-CG2 3.99Å; I584-V605 HydrophobicContact CG2-CG1 4.25Å; I584-V605 HydrophobicContact CG2-CG2 3.84Å; A601-V605 VanDerWaalsContact O-CG2 3.25Å; A601-V605 WeakPolarHBondContact O-CG2 3.34Å; A601-V605 PolarHBondContact O-N 3.35Å; V605-L608 PolarHBondContact O-N 3.06Å; V605-G609 PolarHBondContact O-N 2.98Å; V605-G610 WeakPolarHBondContact O-CA 3.11Å; V605-G610 PolarHBondContact O-N 2.93Å; V605-L612 HydrophobicContact CG1-CB 4.09Å; V605-L708 HydrophobicContact CG2-CD1 3.8Å; V605-L708 HydrophobicContact CG2-CD2 3.78Å; V605-L708 HydrophobicContact CG2-CG 4.47Å
606	R	95.3	Very high	91.9	Very high	116 Å²	116	42.7 Å²	42.7	44%	0.438	23%	0.225	S	C	.	.	H	α-helix	trans	-72.2	-35.7	-179.6	-69.6	-162.4	-169.7	88.6	-7.8	113.7	D597 G602 R603 I604 L608 G609	D597-R606 PolarHBondContact O-NH1 3.4Å; G602-R606 PolarHBondContact O-N 2.9Å; R603-R606 PolarHBondContact O-N 2.81Å; I604-R606 VanDerWaalsContact C-N 3.31Å; I604-R606 PolarHBondContact O-N 2.88Å; R606-L608 PolarHBondContact O-N 3.43Å; R606-G609 PolarHBondContact O-N 3.31Å
607	S	94.8	Very high	92.4	Very high	40 Å²	40	46.9 Å²	46.9	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-31.5	176.6	76	0	0	0	0	111.5	R574 R603 I604 G609	R574-S607 CarbonylContact C-O 3.57Å; R574-S607 WeakPolarHBondContact CB-O 3.42Å; R574-S607 PolarHBondContact NH2-OG 2.89Å; R603-S607 WeakPolarHBondContact O-CB 3.47Å; R603-S607 PolarHBondContact O-N 2.89Å; I604-S607 PolarHBondContact O-N 3.05Å; I604-S607 PolarHBondContact O-OG 3.02Å; S607-G609 VanDerWaalsContact C-N 3.29Å; S607-G609 PolarHBondContact O-N 3.16Å
608	L	97.5	Very high	92.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	7	176.2	-57.3	177.7	0	0	0	113.9	R574 V577 L578 G579 I604 V605 R606 L708 C711 H712	R574-L608 HydrophobicContact CB-CD2 4.31Å; R574-L608 CarbonylContact O-C 3.53Å; R574-L608 VanDerWaalsContact O-C 3.24Å; R574-L608 WeakPolarHBondContact O-CA 3.39Å; V577-L608 HydrophobicContact CB-CB 4.2Å; V577-L608 HydrophobicContact CB-CD2 4.06Å; V577-L608 HydrophobicContact CG1-CD1 4.44Å; V577-L608 HydrophobicContact CG1-CD2 4.17Å; V577-L608 HydrophobicContact CG2-CD2 4.18Å; L578-L608 HydrophobicContact CB-CB 4.33Å; L578-L608 WeakPolarHBondContact CB-O 3.43Å; L578-L608 HydrophobicContact CD1-CB 3.78Å; L578-L608 HydrophobicContact CD1-CD1 4.11Å; L578-L608 HydrophobicContact CG-CB 3.66Å; L578-L608 HydrophobicContact CG-CD1 4.19Å; L578-L608 PolarHBondContact N-O 2.88Å; G579-L608 PolarHBondContact N-O 3.36Å; I604-L608 HydrophobicContact CG2-CD1 3.82Å; I604-L608 HydrophobicContact CG2-CG 4.32Å; I604-L608 WeakPolarHBondContact O-CG 3.3Å; I604-L608 PolarHBondContact O-N 3.14Å; V605-L608 PolarHBondContact O-N 3.06Å; R606-L608 PolarHBondContact O-N 3.43Å; L608-L708 HydrophobicContact CD1-CD1 4.4Å; L608-C711 HydrophobicContact CD1-CB 4.01Å; L608-H712 HydrophobicContact CD1-CB 4.17Å
609	G	96.7	Very high	93	Very high	18 Å²	18	39.5 Å²	39.5	19%	0.186	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-9.5	178.9	0	0	0	0	0	115.9	G579 V605 R606 S607	G579-G609 CarbonylContact C-O 3.55Å; G579-G609 CarbonylContact O-C 3.58Å; G579-G609 VanDerWaalsContact O-O 3.1Å; V605-G609 PolarHBondContact O-N 2.98Å; R606-G609 PolarHBondContact O-N 3.31Å; S607-G609 VanDerWaalsContact C-N 3.29Å; S607-G609 PolarHBondContact O-N 3.16Å
610	G	96.5	Very high	92.6	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.031	25%	0.245	C	C	.	.			trans	-70.7	148.2	-176.7	0	0	0	0	0	114.2	C582 V605	C582-G610 WeakPolarHBondContact O-CA 3.4Å; V605-G610 WeakPolarHBondContact O-CA 3.11Å; V605-G610 PolarHBondContact O-N 2.93Å
611	I	95.8	Very high	91.7	Very high	65 Å²	65	46.7 Å²	46.7	33%	0.333	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	109.1	-177.3	-63.7	-174.5	0	0	0	110.2	P580 C582 H583 I584 H613	P580-I611 WeakPolarHBondContact O-CD1 3.34Å; C582-I611 PolarHBondContact O-N 2.88Å; H583-I611 CarbonylContact C-O 3.49Å; H583-I611 WeakPolarHBondContact CA-O 3.32Å; I584-I611 PolarHBondContact N-O 3Å; I611-H613 WeakPolarHBondContact CG2-NE2 3.41Å
612	L	95	Very high	89.8	Confident	20 Å²	20	51.3 Å²	51.3	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.8	179	-176.7	68.6	0	0	0	112.8	I584 L586 A596 D597 V605	I584-L612 HydrophobicContact CG2-CD1 4.19Å; L586-L612 HydrophobicContact CD1-CD1 4.11Å; L586-L612 HydrophobicContact CG-CD1 3.87Å; A596-L612 VanDerWaalsContact O-CD2 3.22Å; A596-L612 WeakPolarHBondContact O-CD2 3.41Å; D597-L612 HydrophobicContact CB-CD2 4.43Å; V605-L612 HydrophobicContact CG1-CB 4.09Å
613	H	93.3	Very high	87.7	Confident	24 Å²	24	57.7 Å²	57.7	11%	0.111	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.6	169.5	-62.2	-27.6	0	0	0	111.4	H583 I584 I611 R617	H583-H613 AromaticContact CE1-NE2 3.97Å; H583-H613 AromaticContact ND1-NE2 3.38Å; H583-H613 PolarHBondContact ND1-NE2 2.71Å; I584-H613 PolarHBondContact O-N 2.95Å; I611-H613 WeakPolarHBondContact CG2-NE2 3.41Å; H613-R617 PolarHBondContact NE2-NH1 3.46Å
614	A	88.2	Confident	85.3	Confident	79 Å²	79	59.9 Å²	59.9	65%	0.653	34%	0.337	S	S	*	.	S	Bend	trans	-67.6	-41.4	177.1	0	0	0	0	0	112.6	K675	A614-K675 PolarHBondContact O-NZ 3.33Å
615	S	89.6	Confident	82.8	Confident	82 Å²	82	63.8 Å²	63.8	57%	0.573	37%	0.365	S	S	*	.	S	Bend	trans	-113.3	150.8	-179.5	-60.6	0	0	0	0	111	R617	S615-R617 PolarHBondContact O-N 3.13Å
616	L	94	Very high	79.8	Confident	34 Å²	34	71.7 Å²	71.7	18%	0.178	41%	0.407	C	S	.	.			trans	-67.6	121	174.8	177.8	62	0	0	0	109.1	T585 L618 T663 L666 K675 A678 A679	T585-L616 HydrophobicContact CG2-CB 4.25Å; L616-L618 HydrophobicContact CD1-CD2 4.11Å; L616-L618 HydrophobicContact CD1-CG 4.32Å; L616-L618 HydrophobicContact CD2-CD1 3.98Å; L616-L618 HydrophobicContact CD2-CG 4.39Å; L616-L618 HydrophobicContact CG-CD1 4.11Å; L616-L618 HydrophobicContact CG-CD2 4.3Å; L616-L618 HydrophobicContact CG-CG 3.98Å; L616-T663 HydrophobicContact CD1-CG2 3.77Å; L616-L666 HydrophobicContact CD1-CD2 4.48Å; L616-L666 HydrophobicContact CD2-CD2 4.33Å; L616-K675 HydrophobicContact CB-CG 4.33Å; L616-K675 HydrophobicContact CD2-CB 4.22Å; L616-K675 WeakPolarHBondContact CD2-O 3.27Å; L616-A678 HydrophobicContact CD2-CB 4Å; L616-A679 HydrophobicContact CD2-CB 4.3Å
617	R	93.5	Very high	77.3	Confident	113 Å²	113	72.1 Å²	72.1	43%	0.426	42%	0.422	S	S	.	.			trans	-108.9	117.9	-179.8	-63.9	-179.7	179.5	-176.8	-3.4	109.2	H613 S615 H661 Y662 T663	H613-R617 PolarHBondContact NE2-NH1 3.46Å; S615-R617 PolarHBondContact O-N 3.13Å; R617-H661 WeakPolarHBondContact CD-O 3.42Å; R617-H661 PolarHBondContact NH1-O 3.39Å; R617-H661 VanDerWaalsContact NH1-O 3.11Å; R617-Y662 HydrophobicContact CB-CD1 4.37Å; R617-T663 PolarHBondContact N-OG1 3.08Å; R617-T663 WeakPolarHBondContact O-CB 3.22Å; R617-T663 PolarHBondContact O-N 2.59Å
618	L	91.5	Very high	74.5	Confident	48 Å²	48	77.3 Å²	77.3	25%	0.251	45%	0.447	S	S	.	.			trans	-125.1	145.5	-178.5	-61.6	170.8	0	0	0	110	L616 Y682 L700	L616-L618 HydrophobicContact CD1-CD2 4.11Å; L616-L618 HydrophobicContact CD1-CG 4.32Å; L616-L618 HydrophobicContact CD2-CD1 3.98Å; L616-L618 HydrophobicContact CD2-CG 4.39Å; L616-L618 HydrophobicContact CG-CD1 4.11Å; L616-L618 HydrophobicContact CG-CD2 4.3Å; L616-L618 HydrophobicContact CG-CG 3.98Å; L618-Y682 HydrophobicContact CB-CD2 4.1Å; L618-Y682 HydrophobicContact CB-CE2 4.42Å; L618-Y682 HydrophobicContact CD1-CD2 4.4Å; L618-Y682 HydrophobicContact CD1-CG 4.2Å; L618-Y682 HydrophobicContact CD2-CD1 4.12Å; L618-Y682 HydrophobicContact CD2-CD2 4.41Å; L618-Y682 HydrophobicContact CD2-CG 4.05Å; L618-Y682 HydrophobicContact CG-CG 4.49Å; L618-L700 HydrophobicContact CD2-CD2 3.61Å
619	P	87.2	Confident	71.9	Confident	28 Å²	28	85.3 Å²	85.3	18%	0.182	49%	0.49	C	S	.	.			trans	-56.7	138.8	170.2	-25.9	34.4	0	0	0	112.5	I621 Y662 Y682 H698	P619-I621 PolarHBondContact O-N 3.21Å; P619-Y662 HydrophobicContact CB-CE1 4.37Å; P619-Y662 HydrophobicContact CB-CE2 4.31Å; P619-Y662 HydrophobicContact CG-CD1 4.15Å; P619-Y662 HydrophobicContact CG-CD2 3.83Å; P619-Y662 HydrophobicContact CG-CE1 4.2Å; P619-Y662 HydrophobicContact CG-CE2 3.87Å; P619-Y662 HydrophobicContact CG-CG 3.98Å; P619-Y682 HydrophobicContact CB-CE2 4.31Å; P619-Y682 HydrophobicContact CG-CE2 4.36Å; P619-Y682 WeakPolarHBondContact CG-OH 3.4Å; P619-H698 HydrophobicContact CG-CB 3.88Å
620	S	78.1	Confident	69.2	Low	111 Å²	111	91.6 Å²	91.6	78%	0.776	52%	0.519	S	S	*	.			trans	-72.3	107.3	174.1	51.8	0	0	0	0	110.4	C622	S620-C622 PolarHBondContact O-N 2.94Å
621	I	68.1	Low	66.6	Low	62 Å²	62	97.3 Å²	97.3	32%	0.318	55%	0.549	S	S	.	.			trans	-68.1	115.6	176	-60	160.9	0	0	0	108.8	P619 Y682 I685 L689	P619-I621 PolarHBondContact O-N 3.21Å; I621-Y682 HydrophobicContact CD1-CD2 3.81Å; I621-Y682 HydrophobicContact CD1-CE2 4.12Å; I621-Y682 HydrophobicContact CG1-CD2 4.27Å; I621-Y682 HydrophobicContact CG1-CE2 4.11Å; I621-I685 HydrophobicContact CD1-CB 3.99Å; I621-I685 HydrophobicContact CD1-CD1 4.09Å; I621-I685 HydrophobicContact CD1-CG2 3.81Å; I621-I685 HydrophobicContact CG2-CG2 4.14Å; I621-L689 HydrophobicContact CG2-CD1 3.87Å
622	C	53.9	Low	64.1	Low	99 Å²	99	102 Å²	102	67%	0.669	57%	0.567	S	S	*	*			trans	-83.8	121.4	171	72.3	0	0	0	0	109.9	S620 Q624	S620-C622 PolarHBondContact O-N 2.94Å; C622-Q624 PolarHBondContact O-N 2.81Å
623	N	48.6	Very low	61.4	Low	133 Å²	133	108.8 Å²	108.8	71%	0.711	60%	0.603	S	S	*	*			trans	-74.1	113.2	170.6	-73.7	-2.1	0	0	0	108.5	S625	N623-S625 PolarHBondContact O-N 2.93Å
624	Q	42.3	Very low	58.7	Low	177 Å²	177	111.3 Å²	111.3	83%	0.827	64%	0.635	S	S	*	*			trans	-75.4	70.6	168.8	-67.8	-173.8	1.7	0	0	109.9	C622	C622-Q624 PolarHBondContact O-N 2.81Å
625	S	41.7	Very low	56.3	Low	88 Å²	88	114.2 Å²	114.2	62%	0.615	64%	0.64	S	S	*	*			trans	-132.1	55.7	179.2	66	0	0	0	0	110.8	N623	N623-S625 PolarHBondContact O-N 2.93Å
626	N	33.4	Very low	53.7	Low	165 Å²	165	117 Å²	117	88%	0.882	65%	0.649	S	S	*	*			trans	-128.2	76.9	169.2	-87.1	-20.1	0	0	0	108.4
627	V	42.9	Very low	50.9	Low	125 Å²	125	122.2 Å²	122.2	76%	0.758	68%	0.682	S	S	*	*			trans	-132.1	114.2	164.1	179.9	0	0	0	0	106.1
628	D	37.8	Very low	47.9	Very low	149 Å²	149	123.3 Å²	123.3	80%	0.797	70%	0.701	S	S	*	*			trans	34.6	97.7	156.4	-47.4	-25	0	0	0	118.7
629	D	42.4	Very low	45.2	Very low	169 Å²	169	126.4 Å²	126.4	90%	0.904	73%	0.727	S	S	*	*				-160.1	116.1	129.4	-123.4	-23.1	0	0	0	113.3
630	D	38.7	Very low	42.7	Very low	150 Å²	150	132.4 Å²	132.4	80%	0.802	76%	0.756	S	S	*	*			trans	-88.8	113.6	167.7	-108.4	-43.2	0	0	0	108.3
631	N	43.2	Very low	40.5	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	75%	0.754	S	S	*	*			trans	169.6	120.3	134.3	-96.1	-76.3	0	0	0	115.7
632	K	42.5	Very low	39	Very low	165 Å²	165	136.3 Å²	136.3	72%	0.717	78%	0.78	S	S	*	*			trans	55.5	119	135.1	-62.2	-177.7	-178.8	96.9	0	122.2
633	N	37.9	Very low	38.1	Very low	162 Å²	162	138.8 Å²	138.8	87%	0.866	79%	0.787	S	S	*	*			trans	67	119.2	134.8	-58.2	3.8	0	0	0	120.4
634	G	36.6	Very low	37.2	Very low	76 Å²	76	139.9 Å²	139.9	78%	0.784	79%	0.785	S	S	*	*			trans	172.1	112.3	159.4	0	0	0	0	0	114.5
635	D	39.2	Very low	36.7	Very low	140 Å²	140	139.4 Å²	139.4	75%	0.749	79%	0.787	S	S	*	*			trans	-10.1	124.8	174.1	-79.8	-78.7	0	0	0	122.6
636	N	34.3	Very low	36.3	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	79%	0.788	S	S	*	*				40.5	105.8	121.3	-66	-56	0	0	0	120
637	T	36	Very low	36.3	Very low	143 Å²	143	142 Å²	142	88%	0.877	79%	0.789	S	S	*	*				-156.3	129.9	128.8	-2.4	0	0	0	0	114.6
638	T	30.4	Very low	35.9	Very low	136 Å²	136	145.5 Å²	145.5	83%	0.834	79%	0.794	S	S	*	*			trans	-34.7	123.3	177.4	-44.9	0	0	0	0	117.7
639	S	35.1	Very low	35.7	Very low	114 Å²	114	144 Å²	144	80%	0.797	80%	0.795	S	S	*	*			trans	-139.8	141.8	154.9	61.3	0	0	0	0	110.9
640	I	34.3	Very low	35.4	Very low	153 Å²	153	145 Å²	145	79%	0.785	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87.8	135	-170.7	-61.8	172	0	0	0	109.8
641	P	30.4	Very low	35.2	Very low	113 Å²	113	142.3 Å²	142.3	73%	0.734	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.4	138.8	-178.6	30.8	-35.2	0	0	0	112.6
642	V	37.7	Very low	34.7	Very low	143 Å²	143	145.4 Å²	145.4	87%	0.867	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-81.7	140.9	163.5	178.9	0	0	0	0	108.7	K644	V642-K644 PolarHBondContact O-N 2.85Å
643	N	34.1	Very low	34.1	Very low	151 Å²	151	141 Å²	141	81%	0.807	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-57.6	116.2	-166.3	-76.1	-26.3	0	0	0	114.4
644	K	29.5	Very low	34	Very low	156 Å²	156	140.2 Å²	140.2	68%	0.678	79%	0.793	S	S	*	*			trans	-89.1	100.9	168.9	-166.2	-168.8	-163.6	-150.1	0	109.8	V642 E646	V642-K644 PolarHBondContact O-N 2.85Å; K644-E646 HydrophobicContact CD-CG 4.46Å; K644-E646 WeakPolarHBondContact CE-OE1 3.37Å; K644-E646 VanDerWaalsContact CE-OE2 3.28Å; K644-E646 WeakPolarHBondContact CE-OE2 3.18Å; K644-E646 HydrophobicContact CG-CG 4.33Å; K644-E646 IonicContact NZ-OE1 2.68Å; K644-E646 PolarHBondContact NZ-OE1 2.9Å; K644-E646 IonicContact NZ-OE2 2.68Å; K644-E646 PolarHBondContact NZ-OE2 3.11Å
645	L	32.9	Very low	33.7	Very low	166 Å²	166	141.7 Å²	141.7	87%	0.869	80%	0.799	S	S	*	*			trans	-103.6	81.9	170.4	-87.2	165.4	0	0	0	110.3	L647	L645-L647 PolarHBondContact O-N 2.69Å
646	E	32.1	Very low	33.7	Very low	137 Å²	137	142.6 Å²	142.6	64%	0.64	80%	0.798	S	S	*	*			trans	-76.3	114.4	165.5	-80.3	170.4	154.6	0	0	109.9	K644 K648	K644-E646 HydrophobicContact CD-CG 4.46Å; K644-E646 WeakPolarHBondContact CE-OE1 3.37Å; K644-E646 VanDerWaalsContact CE-OE2 3.28Å; K644-E646 WeakPolarHBondContact CE-OE2 3.18Å; K644-E646 HydrophobicContact CG-CG 4.33Å; K644-E646 IonicContact NZ-OE1 2.68Å; K644-E646 PolarHBondContact NZ-OE1 2.9Å; K644-E646 IonicContact NZ-OE2 2.68Å; K644-E646 PolarHBondContact NZ-OE2 3.11Å; E646-K648 PolarHBondContact O-N 2.77Å
647	L	34.6	Very low	34	Very low	172 Å²	172	141.7 Å²	141.7	90%	0.901	80%	0.802	S	S	*	*			trans	-70.5	113.7	160.5	-92.6	160	0	0	0	108.6	L645 S649	L645-L647 PolarHBondContact O-N 2.69Å; L647-S649 PolarHBondContact O-N 2.8Å
648	K	34.8	Very low	34.4	Very low	198 Å²	198	140.7 Å²	140.7	86%	0.861	80%	0.796	S	S	*	*			trans	-71.1	111.8	169.7	-70.7	-178.3	177.2	-178.8	0	109.3	E646	E646-K648 PolarHBondContact O-N 2.77Å
649	S	32.2	Very low	35.6	Very low	117 Å²	117	137.8 Å²	137.8	82%	0.818	78%	0.781	S	S	*	*			trans	-83.3	113.6	163.4	54.2	0	0	0	0	109.7	L647	L647-S649 PolarHBondContact O-N 2.8Å
650	E	37	Very low	37	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	77%	0.767	S	S	*	*			trans	-85	152.9	154.5	-68.3	-169.7	162.2	0	0	109.1
651	S	34.1	Very low	39.5	Very low	95 Å²	95	133 Å²	133	66%	0.664	75%	0.748	S	S	*	*			trans	-87.7	149	-160.4	45.4	0	0	0	0	113.8
652	H	33.6	Very low	42.4	Very low	186 Å²	186	131.3 Å²	131.3	86%	0.861	73%	0.728	S	S	*	*				173.5	124.9	104.7	-88.6	87.4	0	0	0	111.6
653	G	29.9	Very low	45.2	Very low	73 Å²	73	124.5 Å²	124.5	75%	0.753	69%	0.687	S	S	*	*	S	Bend	trans	102.3	144.6	161.8	0	0	0	0	0	117.4
654	I	34.3	Very low	48.1	Very low	145 Å²	145	118.8 Å²	118.8	74%	0.744	66%	0.657	S	S	*	*			trans	53.9	93.1	169	-44.5	-178.5	0	0	0	116.1	H656	I654-H656 PolarHBondContact O-N 3.43Å; I654-H656 VanDerWaalsContact O-N 3.14Å
655	A	31.7	Very low	51.4	Low	108 Å²	108	111.8 Å²	111.8	89%	0.893	63%	0.627	S	S	*	*			trans	-81.1	86.6	173.8	0	0	0	0	0	112.4
656	H	38.9	Very low	54.4	Low	159 Å²	159	103.9 Å²	103.9	74%	0.736	59%	0.585	S	S	*	*			trans	-72.3	127.3	159.7	-81.6	-85.2	0	0	0	110	I654 V658	I654-H656 PolarHBondContact O-N 3.43Å; I654-H656 VanDerWaalsContact O-N 3.14Å; H656-V658 PolarHBondContact O-N 2.95Å; H656-V658 VanDerWaalsContact O-N 3.1Å
657	S	39.7	Very low	57.5	Low	121 Å²	121	97.3 Å²	97.3	85%	0.846	56%	0.555	S	S	*	*			trans	-69.8	105.4	173.2	-171.5	0	0	0	0	109.8	S659	S657-S659 PolarHBondContact O-N 3Å
658	V	45.2	Very low	60.4	Low	122 Å²	122	89.1 Å²	89.1	74%	0.739	51%	0.512	S	S	*	.			trans	-75.7	94.7	176	-178.9	0	0	0	0	108.4	H656 T660	H656-V658 PolarHBondContact O-N 2.95Å; H656-V658 VanDerWaalsContact O-N 3.1Å; V658-T660 PolarHBondContact O-N 2.81Å
659	S	54.7	Low	63.2	Low	75 Å²	75	79.7 Å²	79.7	52%	0.524	47%	0.471	S	S	.	.			trans	-56.9	107	170.6	178.4	0	0	0	0	109.8	S657 H661	S657-S659 PolarHBondContact O-N 3Å; S659-H661 VanDerWaalsContact C-N 3.29Å; S659-H661 WeakPolarHBondContact CB-NE2 3.32Å; S659-H661 PolarHBondContact O-CD2 3.24Å; S659-H661 PolarHBondContact O-N 3.18Å; S659-H661 PolarHBondContact OG-CD2 3.48Å; S659-H661 VanDerWaalsContact OG-CD2 3.26Å; S659-H661 PolarHBondContact OG-CE1 3.02Å; S659-H661 PolarHBondContact OG-NE2 2.78Å
660	T	66.2	Low	66.1	Low	83 Å²	83	78.9 Å²	78.9	51%	0.509	45%	0.45	S	S	.	.			trans	-82.3	75.7	-179.8	48.6	0	0	0	0	110.6	V658 Y662	V658-T660 PolarHBondContact O-N 2.81Å; T660-Y662 VanDerWaalsContact O-CD2 3.27Å; T660-Y662 WeakPolarHBondContact O-CD2 3.39Å; T660-Y662 WeakPolarHBondContact O-CE2 3.34Å; T660-Y662 PolarHBondContact O-N 2.86Å; T660-Y662 VanDerWaalsContact O-N 3.16Å; T660-Y662 PolarHBondContact OG1-OH 2.82Å
661	H	85	Confident	68.8	Low	84 Å²	84	75.7 Å²	75.7	39%	0.389	43%	0.43	S	S	.	.			trans	-56.1	117.3	176.5	-68	-90.5	0	0	0	111.5	H583 R617 S659	H583-H661 AromaticContact CE1-CG 3.57Å; H583-H661 AromaticContact CE1-ND1 3.24Å; H583-H661 PolarHBondContact CE1-ND1 2.59Å; H583-H661 AromaticContact NE2-CE1 3.93Å; H583-H661 AromaticContact NE2-CG 3.62Å; H583-H661 AromaticContact NE2-ND1 2.9Å; H583-H661 PolarHBondContact NE2-ND1 2.74Å; R617-H661 WeakPolarHBondContact CD-O 3.42Å; R617-H661 PolarHBondContact NH1-O 3.39Å; R617-H661 VanDerWaalsContact NH1-O 3.11Å; S659-H661 VanDerWaalsContact C-N 3.29Å; S659-H661 WeakPolarHBondContact CB-NE2 3.32Å; S659-H661 PolarHBondContact O-CD2 3.24Å; S659-H661 PolarHBondContact O-N 3.18Å; S659-H661 PolarHBondContact OG-CD2 3.48Å; S659-H661 VanDerWaalsContact OG-CD2 3.26Å; S659-H661 PolarHBondContact OG-CE1 3.02Å; S659-H661 PolarHBondContact OG-NE2 2.78Å
662	Y	93	Very high	71.5	Confident	78 Å²	78	73.9 Å²	73.9	31%	0.306	43%	0.426	S	S	.	.			trans	-95.1	165.1	-179	-62.2	-66.3	0	0	0	111.7	H583 R617 P619 T660 T664 H698	H583-Y662 WeakPolarHBondContact CB-O 3.48Å; R617-Y662 HydrophobicContact CB-CD1 4.37Å; P619-Y662 HydrophobicContact CB-CE1 4.37Å; P619-Y662 HydrophobicContact CB-CE2 4.31Å; P619-Y662 HydrophobicContact CG-CD1 4.15Å; P619-Y662 HydrophobicContact CG-CD2 3.83Å; P619-Y662 HydrophobicContact CG-CE1 4.2Å; P619-Y662 HydrophobicContact CG-CE2 3.87Å; P619-Y662 HydrophobicContact CG-CG 3.98Å; T660-Y662 VanDerWaalsContact O-CD2 3.27Å; T660-Y662 WeakPolarHBondContact O-CD2 3.39Å; T660-Y662 WeakPolarHBondContact O-CE2 3.34Å; T660-Y662 PolarHBondContact O-N 2.86Å; T660-Y662 VanDerWaalsContact O-N 3.16Å; T660-Y662 PolarHBondContact OG1-OH 2.82Å; Y662-T664 PolarHBondContact O-N 2.87Å; Y662-H698 WeakPolarHBondContact CB-NE2 3.47Å
663	T	95.5	Very high	74.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	39%	0.394	C	S	.	.			trans	-78.6	105.4	179.4	-60.7	0	0	0	0	110.8	T585 L616 R617 H665 H698 L700	T585-T663 WeakPolarHBondContact OG1-CG2 3.33Å; T585-T663 PolarHBondContact OG1-OG1 3.33Å; L616-T663 HydrophobicContact CD1-CG2 3.77Å; R617-T663 PolarHBondContact N-OG1 3.08Å; R617-T663 WeakPolarHBondContact O-CB 3.22Å; R617-T663 PolarHBondContact O-N 2.59Å; T663-H665 VanDerWaalsContact C-N 3.35Å; T663-H665 WeakPolarHBondContact CG2-O 3.24Å; T663-H698 PolarHBondContact O-CE1 3.19Å; T663-H698 PolarHBondContact O-NE2 2.63Å; T663-L700 HydrophobicContact CG2-CD1 4.31Å; T663-L700 WeakPolarHBondContact O-CD1 3.11Å
664	T	95.6	Very high	77.3	Confident	31 Å²	31	71.1 Å²	71.1	19%	0.19	40%	0.396	C	S	.	.	S	Bend	trans	-69.2	-30.6	169.8	60.8	0	0	0	0	113.2	H583 Y662 L700 H701	H583-T664 HydrophobicContact CB-CG2 4.24Å; H583-T664 PolarHBondContact N-OG1 2.91Å; H583-T664 PolarHBondContact O-N 3.08Å; H583-T664 PolarHBondContact O-OG1 3.25Å; Y662-T664 PolarHBondContact O-N 2.87Å; T664-L700 CarbonylContact O-C 3.58Å; T664-L700 WeakPolarHBondContact O-CA 3.22Å; T664-H701 PolarHBondContact O-N 3.31Å
665	H	97.4	Very high	80.2	Confident	8 Å²	8	67 Å²	67	4%	0.037	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	119.2	-169.8	-78.2	83.1	0	0	0	111.7	H583 I584 T585 T663 H701 W707 E720	H583-H665 PolarHBondContact O-N 3.09Å; I584-H665 CarbonylContact C-O 3.57Å; I584-H665 WeakPolarHBondContact CA-O 3.45Å; I584-H665 HydrophobicContact CG1-CB 3.64Å; T585-H665 PolarHBondContact N-O 3.35Å; T663-H665 VanDerWaalsContact C-N 3.35Å; T663-H665 WeakPolarHBondContact CG2-O 3.24Å; H665-H701 AromaticContact CE1-CD2 3.98Å; H665-H701 AromaticContact NE2-CG 3.87Å; H665-W707 AromaticContact CD2-CH2 3.39Å; H665-W707 WeakPolarHBondContact CD2-CH2 3.18Å; H665-W707 AromaticContact CD2-CZ2 3.53Å; H665-W707 AromaticContact CD2-CZ3 3.93Å; H665-W707 AromaticContact CG-CH2 3.93Å; H665-W707 AromaticContact NE2-CH2 3.67Å; H665-W707 AromaticContact NE2-CZ2 3.4Å; H665-W707 WeakPolarHBondContact NE2-CZ2 3.13Å; H665-E720 WeakPolarHBondContact NE2-CG 3.26Å; H665-E720 IonicContact NE2-OE1 3.41Å
666	L	97.4	Very high	83.3	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	105.7	169.2	179.5	59	0	0	0	109.6	T585 L616 K675 V676 A679 L700 H701 L702 V703	T585-L666 HydrophobicContact CG2-CD1 4.2Å; T585-L666 WeakPolarHBondContact O-CD1 3.17Å; L616-L666 HydrophobicContact CD1-CD2 4.48Å; L616-L666 HydrophobicContact CD2-CD2 4.33Å; L666-K675 HydrophobicContact CD1-CB 4.17Å; L666-K675 HydrophobicContact CD1-CD 4.48Å; L666-K675 HydrophobicContact CD2-CB 4.21Å; L666-K675 WeakPolarHBondContact CD2-O 3.5Å; L666-V676 HydrophobicContact CD2-CG2 4.03Å; L666-A679 HydrophobicContact CD2-CB 3.47Å; L666-A679 VanDerWaalsContact CD2-CB 3.47Å; L666-L700 HydrophobicContact CB-CD1 4.37Å; L666-H701 PolarHBondContact N-O 3.11Å; L666-L702 HydrophobicContact CB-CD1 4.37Å; L666-L702 HydrophobicContact CD2-CD1 4.1Å; L666-L702 HydrophobicContact CG-CD1 4.12Å; L666-V703 PolarHBondContact O-N 3.01Å; L666-V703 VanDerWaalsContact O-N 3.07Å
667	I	97.2	Very high	86	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.5	177.8	-44.8	173.3	0	0	0	107.9	I584 T585 L586 S587 L589 V703 P705 W707 L708	I584-I667 HydrophobicContact CD1-CD1 4.2Å; I584-I667 HydrophobicContact CG1-CD1 4.25Å; I584-I667 HydrophobicContact CG2-CD1 3.49Å; I584-I667 VanDerWaalsContact CG2-CD1 3.49Å; I584-I667 HydrophobicContact CG2-CG1 4.07Å; T585-I667 PolarHBondContact O-N 3.37Å; L586-I667 CarbonylContact C-O 3.45Å; L586-I667 HydrophobicContact CD2-CB 4.09Å; L586-I667 HydrophobicContact CD2-CD1 3.97Å; L586-I667 HydrophobicContact CD2-CG1 4.45Å; S587-I667 PolarHBondContact N-O 3.07Å; L589-I667 HydrophobicContact CD1-CB 4.23Å; L589-I667 HydrophobicContact CD1-CG2 3.61Å; I667-V703 HydrophobicContact CB-CG2 4.27Å; I667-V703 HydrophobicContact CG1-CG2 3.89Å; I667-V703 HydrophobicContact CG2-CG2 4.3Å; I667-P705 HydrophobicContact CG2-CB 4.41Å; I667-W707 HydrophobicContact CD1-CE3 4.05Å; I667-W707 HydrophobicContact CD1-CZ3 3.88Å; I667-W707 HydrophobicContact CG1-CE3 4.25Å; I667-W707 HydrophobicContact CG1-CZ3 4.28Å; I667-L708 HydrophobicContact CD1-CB 4.1Å; I667-L708 HydrophobicContact CD1-CD1 4.29Å; I667-L708 HydrophobicContact CD1-CD2 3.95Å; I667-L708 HydrophobicContact CD1-CG 4.34Å
668	A	95.9	Very high	88.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.4	-169.5	0	0	0	0	0	113.4	S587 V676 L702 V703 P705 L725	S587-A668 WeakPolarHBondContact O-CA 3.33Å; A668-V676 HydrophobicContact CB-CG2 3.49Å; A668-V676 VanDerWaalsContact CB-CG2 3.49Å; A668-L702 HydrophobicContact CB-CD1 4.24Å; A668-V703 PolarHBondContact N-O 3.44Å; A668-P705 WeakPolarHBondContact O-CD 3.23Å; A668-L725 HydrophobicContact CB-CD1 4.48Å; A668-L725 HydrophobicContact CB-CD2 3.96Å; A668-L725 WeakPolarHBondContact O-CD1 3.48Å
669	C	92	Very high	91	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-75.6	-29.8	167.4	-76.7	0	0	0	0	112.8	S587 G588 L589 D728 F729	S587-C669 PolarHBondContact O-N 3.15Å; G588-C669 PolarHBondContact O-SG 2.79Å; L589-C669 WeakPolarHBondContact CD2-SG 3.4Å; L589-C669 VanDerWaalsContact CG-SG 3.52Å; C669-D728 CarbonylContact O-C 3.49Å; C669-D728 WeakPolarHBondContact O-CA 3.44Å; C669-F729 PolarHBondContact O-N 2.89Å
670	R	93.2	Very high	92.8	Very high	99 Å²	99	50 Å²	50	37%	0.374	25%	0.254	S	S	.	.			trans	-139.6	133.4	-167.1	-63.3	-170.3	-166.8	164.2	3.9	113.6	T673 D728 I741	R670-T673 HydrophobicContact CB-CG2 3.94Å; R670-T673 WeakPolarHBondContact O-CG2 3.25Å; R670-T673 PolarHBondContact O-OG1 2.88Å; R670-D728 WeakPolarHBondContact CA-OD1 3.36Å; R670-D728 VanDerWaalsContact CB-OD2 3.28Å; R670-D728 WeakPolarHBondContact CB-OD2 3.46Å; R670-D728 HydrophobicContact CG-CB 4.32Å; R670-D728 VanDerWaalsContact CG-OD2 3.31Å; R670-D728 WeakPolarHBondContact CG-OD2 3.28Å; R670-I741 VanDerWaalsContact NH2-CD1 3.34Å
671	R	94	Very high	94.1	Very high	123 Å²	123	52.9 Å²	52.9	46%	0.464	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-43.1	-178.4	-69.8	169.3	147.4	-176.9	-10.2	112.8	T673 V676 L725 D726 D728	R671-T673 PolarHBondContact O-N 3.27Å; R671-V676 WeakPolarHBondContact O-CB 3.13Å; R671-V676 VanDerWaalsContact O-CG1 3.27Å; R671-V676 WeakPolarHBondContact O-CG1 3.29Å; R671-L725 HydrophobicContact CB-CD2 4.37Å; R671-L725 HydrophobicContact CG-CD2 3.67Å; R671-L725 HydrophobicContact CG-CG 3.71Å; R671-L725 PolarHBondContact NE-O 3.21Å; R671-L725 PolarHBondContact NH2-O 3.42Å; R671-D726 PolarHBondContact NH1-O 3Å; R671-D726 VanDerWaalsContact NH2-CA 3.31Å; R671-D726 PolarHBondContact NH2-O 3.37Å; R671-D728 WeakPolarHBondContact CB-OD1 3.39Å; R671-D728 WeakPolarHBondContact CG-OD1 3.48Å; R671-D728 PolarHBondContact N-OD1 3.25Å
672	G	90.9	Very high	94.4	Very high	57 Å²	57	49.7 Å²	49.7	59%	0.588	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	14.8	-176.6	0	0	0	0	0	116	H677	G672-H677 VanDerWaalsContact C-CE1 3.49Å; G672-H677 PolarHBondContact O-CE1 2.83Å
673	T	92.6	Very high	94.2	Very high	31 Å²	31	47.7 Å²	47.7	19%	0.19	24%	0.239	C	C	.	.	S	Bend	trans	-85.4	145	-178.2	56.7	0	0	0	0	111.8	S587 R670 R671 K675 V676 H677	S587-T673 WeakPolarHBondContact OG-CB 3.35Å; S587-T673 PolarHBondContact OG-OG1 3.05Å; R670-T673 HydrophobicContact CB-CG2 3.94Å; R670-T673 WeakPolarHBondContact O-CG2 3.25Å; R670-T673 PolarHBondContact O-OG1 2.88Å; R671-T673 PolarHBondContact O-N 3.27Å; T673-K675 VanDerWaalsContact C-N 3.27Å; T673-K675 PolarHBondContact O-N 3.19Å; T673-V676 WeakPolarHBondContact O-CA 3.19Å; T673-V676 PolarHBondContact O-N 2.68Å; T673-V676 VanDerWaalsContact OG1-CG2 3.23Å; T673-V676 WeakPolarHBondContact OG1-CG2 2.97Å; T673-H677 PolarHBondContact O-N 3.4Å
674	E	94.1	Very high	93.9	Very high	170 Å²	170	51.6 Å²	51.6	79%	0.794	26%	0.263	S	S	*	.	H	α-helix	trans	-54.8	-41.2	179.3	-174.3	-179	-170.6	0	0	112.6	V676 H677 A678	E674-V676 VanDerWaalsContact C-N 3.32Å; E674-V676 PolarHBondContact O-N 3.18Å; E674-H677 PolarHBondContact O-N 3.09Å; E674-A678 WeakPolarHBondContact O-CB 3.26Å; E674-A678 PolarHBondContact O-N 3.26Å
675	K	95.2	Very high	93.3	Very high	59 Å²	59	53 Å²	53	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-42.7	173.7	-67.5	-176.4	175	-172.5	0	111.9	T585 L586 A614 L616 L666 T673 A678 A679	T585-K675 HydrophobicContact CG2-CD 4.06Å; L586-K675 PolarHBondContact O-NZ 3.38Å; A614-K675 PolarHBondContact O-NZ 3.33Å; L616-K675 HydrophobicContact CB-CG 4.33Å; L616-K675 HydrophobicContact CD2-CB 4.22Å; L616-K675 WeakPolarHBondContact CD2-O 3.27Å; L666-K675 HydrophobicContact CD1-CB 4.17Å; L666-K675 HydrophobicContact CD1-CD 4.48Å; L666-K675 HydrophobicContact CD2-CB 4.21Å; L666-K675 WeakPolarHBondContact CD2-O 3.5Å; T673-K675 VanDerWaalsContact C-N 3.27Å; T673-K675 PolarHBondContact O-N 3.19Å; K675-A678 PolarHBondContact O-N 3.01Å; K675-A679 WeakPolarHBondContact O-CB 3.31Å; K675-A679 PolarHBondContact O-N 3.44Å
676	V	96.2	Very high	92.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-71.2	-41.8	178.5	171.9	0	0	0	0	111.3	L666 A668 R671 T673 E674 A678 A679 L680 L702 L725	L666-V676 HydrophobicContact CD2-CG2 4.03Å; A668-V676 HydrophobicContact CB-CG2 3.49Å; A668-V676 VanDerWaalsContact CB-CG2 3.49Å; R671-V676 WeakPolarHBondContact O-CB 3.13Å; R671-V676 VanDerWaalsContact O-CG1 3.27Å; R671-V676 WeakPolarHBondContact O-CG1 3.29Å; T673-V676 WeakPolarHBondContact O-CA 3.19Å; T673-V676 PolarHBondContact O-N 2.68Å; T673-V676 VanDerWaalsContact OG1-CG2 3.23Å; T673-V676 WeakPolarHBondContact OG1-CG2 2.97Å; E674-V676 VanDerWaalsContact C-N 3.32Å; E674-V676 PolarHBondContact O-N 3.18Å; V676-A678 VanDerWaalsContact C-N 3.31Å; V676-A678 PolarHBondContact O-N 2.91Å; V676-A679 PolarHBondContact O-N 3.28Å; V676-L680 HydrophobicContact CG1-CD1 3.75Å; V676-L680 HydrophobicContact CG1-CG 4.15Å; V676-L680 WeakPolarHBondContact O-CB 3.41Å; V676-L680 VanDerWaalsContact O-CG 3.3Å; V676-L680 WeakPolarHBondContact O-CG 3.19Å; V676-L680 PolarHBondContact O-N 3.15Å; V676-L702 HydrophobicContact CG1-CD1 4.37Å; V676-L702 HydrophobicContact CG1-CD2 4Å; V676-L702 HydrophobicContact CG2-CD1 3.96Å; V676-L725 HydrophobicContact CG1-CD2 4.13Å; V676-L725 HydrophobicContact CG2-CD2 4.15Å
677	H	95.3	Very high	91.5	Very high	107 Å²	107	57.4 Å²	57.4	50%	0.495	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-39.9	173.4	-64	143.6	0	0	0	112.3	G672 T673 E674 K681	G672-H677 VanDerWaalsContact C-CE1 3.49Å; G672-H677 PolarHBondContact O-CE1 2.83Å; T673-H677 PolarHBondContact O-N 3.4Å; E674-H677 PolarHBondContact O-N 3.09Å; H677-K681 VanDerWaalsContact O-CB 3.27Å; H677-K681 WeakPolarHBondContact O-CB 3.5Å; H677-K681 PolarHBondContact O-N 2.82Å
678	A	95	Very high	90.1	Very high	39 Å²	39	62 Å²	62	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-43.6	175.6	0	0	0	0	0	112.3	L616 E674 K675 V676 K681 Y682	L616-A678 HydrophobicContact CD2-CB 4Å; E674-A678 WeakPolarHBondContact O-CB 3.26Å; E674-A678 PolarHBondContact O-N 3.26Å; K675-A678 PolarHBondContact O-N 3.01Å; V676-A678 VanDerWaalsContact C-N 3.31Å; V676-A678 PolarHBondContact O-N 2.91Å; A678-K681 PolarHBondContact O-N 3.38Å; A678-Y682 WeakPolarHBondContact O-CB 3.26Å; A678-Y682 PolarHBondContact O-N 2.92Å
679	A	94.6	Very high	88.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-46.7	175.2	0	0	0	0	0	112.5	L616 L666 K675 V676 K681 Y682 L683 L700	L616-A679 HydrophobicContact CD2-CB 4.3Å; L666-A679 HydrophobicContact CD2-CB 3.47Å; L666-A679 VanDerWaalsContact CD2-CB 3.47Å; K675-A679 WeakPolarHBondContact O-CB 3.31Å; K675-A679 PolarHBondContact O-N 3.44Å; V676-A679 PolarHBondContact O-N 3.28Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 3Å; A679-Y682 WeakPolarHBondContact O-CB 3.45Å; A679-Y682 PolarHBondContact O-N 3.13Å; A679-L683 WeakPolarHBondContact O-CG 3.4Å; A679-L683 PolarHBondContact O-N 3.11Å; A679-L700 HydrophobicContact CB-CD2 3.79Å
680	L	93.6	Very high	87	Confident	79 Å²	79	70 Å²	70	41%	0.414	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-40.1	176.4	-72.5	172.5	0	0	0	111.9	V676 T684 L702	V676-L680 HydrophobicContact CG1-CD1 3.75Å; V676-L680 HydrophobicContact CG1-CG 4.15Å; V676-L680 WeakPolarHBondContact O-CB 3.41Å; V676-L680 VanDerWaalsContact O-CG 3.3Å; V676-L680 WeakPolarHBondContact O-CG 3.19Å; V676-L680 PolarHBondContact O-N 3.15Å; L680-T684 WeakPolarHBondContact O-CB 3.4Å; L680-T684 PolarHBondContact O-N 3.16Å; L680-T684 PolarHBondContact O-OG1 3.49Å; L680-L702 HydrophobicContact CD2-CD2 3.68Å; L680-L702 HydrophobicContact CG-CD2 3.97Å
681	K	92.1	Very high	85.3	Confident	144 Å²	144	72.1 Å²	72.1	63%	0.626	37%	0.374	S	S	*	.	H	α-helix	trans	-63.5	-43.2	173.1	-178.7	178.1	177.2	-177.6	0	111.7	H677 A678 A679 I685	H677-K681 VanDerWaalsContact O-CB 3.27Å; H677-K681 WeakPolarHBondContact O-CB 3.5Å; H677-K681 PolarHBondContact O-N 2.82Å; A678-K681 PolarHBondContact O-N 3.38Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 3Å; K681-I685 HydrophobicContact CG-CD1 3.91Å; K681-I685 WeakPolarHBondContact O-CD1 3.37Å; K681-I685 VanDerWaalsContact O-CG1 3.29Å; K681-I685 WeakPolarHBondContact O-CG1 3.44Å; K681-I685 PolarHBondContact O-N 3.42Å
682	Y	91.7	Very high	83.4	Confident	17 Å²	17	72 Å²	72	7%	0.067	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-50.9	176.6	176	-92.4	0	0	0	111.5	L618 P619 I621 A678 A679 T684 I685 N686 L700	L618-Y682 HydrophobicContact CB-CD2 4.1Å; L618-Y682 HydrophobicContact CB-CE2 4.42Å; L618-Y682 HydrophobicContact CD1-CD2 4.4Å; L618-Y682 HydrophobicContact CD1-CG 4.2Å; L618-Y682 HydrophobicContact CD2-CD1 4.12Å; L618-Y682 HydrophobicContact CD2-CD2 4.41Å; L618-Y682 HydrophobicContact CD2-CG 4.05Å; L618-Y682 HydrophobicContact CG-CG 4.49Å; P619-Y682 HydrophobicContact CB-CE2 4.31Å; P619-Y682 HydrophobicContact CG-CE2 4.36Å; P619-Y682 WeakPolarHBondContact CG-OH 3.4Å; I621-Y682 HydrophobicContact CD1-CD2 3.81Å; I621-Y682 HydrophobicContact CD1-CE2 4.12Å; I621-Y682 HydrophobicContact CG1-CD2 4.27Å; I621-Y682 HydrophobicContact CG1-CE2 4.11Å; A678-Y682 WeakPolarHBondContact O-CB 3.26Å; A678-Y682 PolarHBondContact O-N 2.92Å; A679-Y682 WeakPolarHBondContact O-CB 3.45Å; A679-Y682 PolarHBondContact O-N 3.13Å; Y682-T684 PolarHBondContact O-N 3.44Å; Y682-I685 PolarHBondContact O-N 3.04Å; Y682-N686 HydrophobicContact CE1-CB 4.32Å; Y682-N686 WeakPolarHBondContact O-CB 3.35Å; Y682-N686 PolarHBondContact O-N 3.15Å; Y682-L700 HydrophobicContact CD1-CD2 3.82Å
683	L	89.4	Confident	81.5	Confident	36 Å²	36	73.5 Å²	73.5	19%	0.188	38%	0.378	C	S	.	.	H	α-helix	trans	-56.1	-50.5	175.8	-71.7	170.1	0	0	0	111.2	A679 I685 N686 D687 L700	A679-L683 WeakPolarHBondContact O-CG 3.4Å; A679-L683 PolarHBondContact O-N 3.11Å; L683-I685 VanDerWaalsContact C-N 3.29Å; L683-I685 PolarHBondContact O-N 3.34Å; L683-N686 WeakPolarHBondContact O-CB 3.19Å; L683-N686 PolarHBondContact O-N 2.77Å; L683-D687 PolarHBondContact O-N 2.7Å; L683-L700 HydrophobicContact CD2-CB 4.11Å; L683-L700 HydrophobicContact CG-CD2 4.27Å
684	T	87.9	Confident	79.6	Confident	82 Å²	82	80.4 Å²	80.4	50%	0.503	41%	0.413	S	S	.	.	H	α-helix	trans	-55.8	-41.7	178.5	-55.6	0	0	0	0	112.2	L680 Y682 N688	L680-T684 WeakPolarHBondContact O-CB 3.4Å; L680-T684 PolarHBondContact O-N 3.16Å; L680-T684 PolarHBondContact O-OG1 3.49Å; Y682-T684 PolarHBondContact O-N 3.44Å; T684-N688 PolarHBondContact O-N 2.77Å; T684-N688 PolarHBondContact O-ND2 3.31Å
685	I	84.5	Confident	77.6	Confident	62 Å²	62	76.7 Å²	76.7	32%	0.318	41%	0.406	S	S	.	.	H	α-helix	trans	-73.5	-39.7	177.6	-61.1	161.6	0	0	0	110.8	I621 K681 Y682 L683 N688 L689	I621-I685 HydrophobicContact CD1-CB 3.99Å; I621-I685 HydrophobicContact CD1-CD1 4.09Å; I621-I685 HydrophobicContact CD1-CG2 3.81Å; I621-I685 HydrophobicContact CG2-CG2 4.14Å; K681-I685 HydrophobicContact CG-CD1 3.91Å; K681-I685 WeakPolarHBondContact O-CD1 3.37Å; K681-I685 VanDerWaalsContact O-CG1 3.29Å; K681-I685 WeakPolarHBondContact O-CG1 3.44Å; K681-I685 PolarHBondContact O-N 3.42Å; Y682-I685 PolarHBondContact O-N 3.04Å; L683-I685 VanDerWaalsContact C-N 3.29Å; L683-I685 PolarHBondContact O-N 3.34Å; I685-N688 PolarHBondContact O-N 2.85Å; I685-L689 HydrophobicContact CG2-CD1 3.92Å; I685-L689 HydrophobicContact CG2-CG 4.39Å; I685-L689 WeakPolarHBondContact O-CG 3.39Å; I685-L689 PolarHBondContact O-N 3.02Å
686	N	79.4	Confident	75.7	Confident	18 Å²	18	80 Å²	80	10%	0.096	44%	0.437	C	S	.	.	H	α-helix	trans	-63.9	-42.2	-179.8	-173.7	43.5	0	0	0	112.4	Y682 L683 N688 L689 Q690 S697	Y682-N686 HydrophobicContact CE1-CB 4.32Å; Y682-N686 WeakPolarHBondContact O-CB 3.35Å; Y682-N686 PolarHBondContact O-N 3.15Å; L683-N686 WeakPolarHBondContact O-CB 3.19Å; L683-N686 PolarHBondContact O-N 2.77Å; N686-N688 VanDerWaalsContact C-N 3.32Å; N686-N688 PolarHBondContact O-N 2.79Å; N686-L689 CarbonylContact O-C 3.58Å; N686-L689 WeakPolarHBondContact O-CA 3.05Å; N686-L689 PolarHBondContact O-N 3.39Å; N686-Q690 PolarHBondContact ND2-NE2 3.36Å; N686-Q690 WeakPolarHBondContact O-CG 3.39Å; N686-Q690 PolarHBondContact O-N 3.3Å; N686-S697 PolarHBondContact ND2-OG 3.12Å; N686-S697 PolarHBondContact OD1-OG 2.98Å
687	D	77	Confident	74.1	Confident	82 Å²	82	81.9 Å²	81.9	44%	0.439	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-41.4	176.3	-59.2	-20	0	0	0	110.8	L683 L689 L691	L683-D687 PolarHBondContact O-N 2.7Å; D687-L689 PolarHBondContact O-N 3.48Å; D687-L691 WeakPolarHBondContact O-CG 3.47Å; D687-L691 PolarHBondContact O-N 2.9Å
688	N	68.4	Low	73.2	Confident	97 Å²	97	78.7 Å²	78.7	52%	0.519	44%	0.435	S	S	.	.	H	α-helix	trans	-66.9	-21.3	172.8	-78.2	-73	0	0	0	113.4	T684 I685 N686 N692	T684-N688 PolarHBondContact O-N 2.77Å; T684-N688 PolarHBondContact O-ND2 3.31Å; I685-N688 PolarHBondContact O-N 2.85Å; N686-N688 VanDerWaalsContact C-N 3.32Å; N686-N688 PolarHBondContact O-N 2.79Å; N688-N692 PolarHBondContact O-ND2 2.84Å
689	L	63.7	Low	72.7	Confident	76 Å²	76	80.1 Å²	80.1	40%	0.398	44%	0.443	S	S	.	.	H	α-helix	trans	-89.7	-37.1	176.2	-72.8	170.3	0	0	0	112.7	I621 I685 N686 D687 L691 N692 N693	I621-L689 HydrophobicContact CG2-CD1 3.87Å; I685-L689 HydrophobicContact CG2-CD1 3.92Å; I685-L689 HydrophobicContact CG2-CG 4.39Å; I685-L689 WeakPolarHBondContact O-CG 3.39Å; I685-L689 PolarHBondContact O-N 3.02Å; N686-L689 CarbonylContact O-C 3.58Å; N686-L689 WeakPolarHBondContact O-CA 3.05Å; N686-L689 PolarHBondContact O-N 3.39Å; D687-L689 PolarHBondContact O-N 3.48Å; L689-L691 VanDerWaalsContact C-N 3.29Å; L689-L691 PolarHBondContact O-N 3.21Å; L689-N692 CarbonylContact O-C 3.59Å; L689-N692 WeakPolarHBondContact O-CA 3.39Å; L689-N692 PolarHBondContact O-N 3.12Å; L689-N693 PolarHBondContact O-N 3.09Å
690	Q	57.4	Low	72.7	Confident	90 Å²	90	80.6 Å²	80.6	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-36.3	174.8	-73.9	-175.1	85.3	0	0	111.7	N686 N692 N693	N686-Q690 PolarHBondContact ND2-NE2 3.36Å; N686-Q690 WeakPolarHBondContact O-CG 3.39Å; N686-Q690 PolarHBondContact O-N 3.3Å; Q690-N692 PolarHBondContact O-N 3.08Å; Q690-N693 PolarHBondContact O-N 3.29Å
691	L	58.7	Low	72.8	Confident	144 Å²	144	79.1 Å²	79.1	75%	0.754	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-12.3	170.2	-75.1	169.1	0	0	0	114.4	D687 L689	D687-L691 WeakPolarHBondContact O-CG 3.47Å; D687-L691 PolarHBondContact O-N 2.9Å; L689-L691 VanDerWaalsContact C-N 3.29Å; L689-L691 PolarHBondContact O-N 3.21Å
692	N	54.1	Low	73	Confident	122 Å²	122	73.9 Å²	73.9	65%	0.652	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-16	-177	-73.1	-68.7	0	0	0	114.4	N688 L689 Q690	N688-N692 PolarHBondContact O-ND2 2.84Å; L689-N692 CarbonylContact O-C 3.59Å; L689-N692 WeakPolarHBondContact O-CA 3.39Å; L689-N692 PolarHBondContact O-N 3.12Å; Q690-N692 PolarHBondContact O-N 3.08Å
693	N	51.2	Low	73.2	Confident	88 Å²	88	73.1 Å²	73.1	47%	0.471	41%	0.412	S	S	.	.			trans	-150.9	129.7	-178.2	-74.3	-80.6	0	0	0	113	L689 Q690 S695	L689-N693 PolarHBondContact O-N 3.09Å; Q690-N693 PolarHBondContact O-N 3.29Å; N693-S695 PolarHBondContact O-N 3.08Å
694	N	51.4	Low	73.6	Confident	176 Å²	176	71.4 Å²	71.4	94%	0.941	40%	0.403	S	S	*	.			trans	-73.2	32.3	174.5	-75.4	0.2	0	0	0	114.3
695	S	52.4	Low	73.9	Confident	91 Å²	91	67.5 Å²	67.5	64%	0.636	38%	0.379	S	S	*	.			trans	-83.2	133.6	176.8	-67.9	0	0	0	0	110.3	N693 S697	N693-S695 PolarHBondContact O-N 3.08Å; S695-S697 PolarHBondContact O-N 3.17Å
696	S	54.9	Low	74.4	Confident	129 Å²	129	68 Å²	68	90%	0.902	38%	0.38	S	S	*	.			trans	-54.6	105	-179.3	56.2	0	0	0	0	111.5
697	S	64.2	Low	75.3	Confident	41 Å²	41	67.1 Å²	67.1	29%	0.287	38%	0.375	S	S	.	.			trans	-81.3	150.2	-175.6	-172.7	0	0	0	0	112.1	N686 S695 S699	N686-S697 PolarHBondContact ND2-OG 3.12Å; N686-S697 PolarHBondContact OD1-OG 2.98Å; S695-S697 PolarHBondContact O-N 3.17Å; S697-S699 PolarHBondContact O-N 3.15Å
698	H	75.8	Confident	76.2	Confident	39 Å²	39	63.2 Å²	63.2	18%	0.181	35%	0.354	C	S	.	.			trans	-75.1	111	173.3	164.9	-71.1	0	0	0	109.4	P619 Y662 T663 L700	P619-H698 HydrophobicContact CG-CB 3.88Å; Y662-H698 WeakPolarHBondContact CB-NE2 3.47Å; T663-H698 PolarHBondContact O-CE1 3.19Å; T663-H698 PolarHBondContact O-NE2 2.63Å; H698-L700 PolarHBondContact O-N 2.74Å
699	S	84.4	Confident	77.5	Confident	70 Å²	70	59.1 Å²	59.1	49%	0.49	33%	0.332	S	S	.	.			trans	-67.8	130.6	174	-160.9	0	0	0	0	111.2	S697 H701	S697-S699 PolarHBondContact O-N 3.15Å; S699-H701 PolarHBondContact OG-CD2 3.47Å; S699-H701 PolarHBondContact OG-NE2 2.99Å
700	L	93.8	Very high	79	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.047	32%	0.32	C	S	.	.			trans	-128.6	109.6	175.4	171.3	65.9	0	0	0	108.8	L618 T663 T664 L666 A679 Y682 L683 H698	L618-L700 HydrophobicContact CD2-CD2 3.61Å; T663-L700 HydrophobicContact CG2-CD1 4.31Å; T663-L700 WeakPolarHBondContact O-CD1 3.11Å; T664-L700 CarbonylContact O-C 3.58Å; T664-L700 WeakPolarHBondContact O-CA 3.22Å; L666-L700 HydrophobicContact CB-CD1 4.37Å; A679-L700 HydrophobicContact CB-CD2 3.79Å; Y682-L700 HydrophobicContact CD1-CD2 3.82Å; L683-L700 HydrophobicContact CD2-CB 4.11Å; L683-L700 HydrophobicContact CG-CD2 4.27Å; H698-L700 PolarHBondContact O-N 2.74Å
701	H	95.6	Very high	80.9	Confident	48 Å²	48	52.2 Å²	52.2	22%	0.222	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.4	-179.7	-57.6	-106.7	0	0	0	109.4	T664 H665 L666 S699 V703 E720	T664-H701 PolarHBondContact O-N 3.31Å; H665-H701 AromaticContact CE1-CD2 3.98Å; H665-H701 AromaticContact NE2-CG 3.87Å; L666-H701 PolarHBondContact N-O 3.11Å; S699-H701 PolarHBondContact OG-CD2 3.47Å; S699-H701 PolarHBondContact OG-NE2 2.99Å; H701-V703 HydrophobicContact CB-CG1 4.42Å; H701-E720 HydrophobicContact CB-CB 4.15Å; H701-E720 HydrophobicContact CB-CG 3.98Å; H701-E720 IonicContact CE1-OE1 3.98Å; H701-E720 IonicContact CE1-OE2 3.64Å; H701-E720 WeakPolarHBondContact ND1-CG 3.3Å; H701-E720 IonicContact ND1-OE1 3.61Å; H701-E720 IonicContact ND1-OE2 3.9Å
702	L	96.4	Very high	82.6	Confident	34 Å²	34	45.8 Å²	45.8	18%	0.178	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.8	174.5	172	59.4	0	0	0	109.1	L666 A668 V676 L680 L725	L666-L702 HydrophobicContact CB-CD1 4.37Å; L666-L702 HydrophobicContact CD2-CD1 4.1Å; L666-L702 HydrophobicContact CG-CD1 4.12Å; A668-L702 HydrophobicContact CB-CD1 4.24Å; V676-L702 HydrophobicContact CG1-CD1 4.37Å; V676-L702 HydrophobicContact CG1-CD2 4Å; V676-L702 HydrophobicContact CG2-CD1 3.96Å; L680-L702 HydrophobicContact CD2-CD2 3.68Å; L680-L702 HydrophobicContact CG-CD2 3.97Å; L702-L725 HydrophobicContact CD1-CD2 4.19Å; L702-L725 HydrophobicContact CG-CB 4.4Å
703	V	97.1	Very high	84.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.4	-170.7	-64.5	0	0	0	0	112.7	L666 I667 A668 H701 W707 E720 Y723	L666-V703 PolarHBondContact O-N 3.01Å; L666-V703 VanDerWaalsContact O-N 3.07Å; I667-V703 HydrophobicContact CB-CG2 4.27Å; I667-V703 HydrophobicContact CG1-CG2 3.89Å; I667-V703 HydrophobicContact CG2-CG2 4.3Å; A668-V703 PolarHBondContact N-O 3.44Å; H701-V703 HydrophobicContact CB-CG1 4.42Å; V703-W707 HydrophobicContact CB-CB 3.94Å; V703-W707 HydrophobicContact CB-CG 4.16Å; V703-W707 HydrophobicContact CG1-CB 4.41Å; V703-W707 HydrophobicContact CG1-CG 4.19Å; V703-W707 HydrophobicContact CG2-CB 4.05Å; V703-W707 HydrophobicContact CG2-CD2 4.02Å; V703-W707 HydrophobicContact CG2-CE3 3.88Å; V703-W707 HydrophobicContact CG2-CG 4.11Å; V703-E720 HydrophobicContact CG1-CB 3.78Å; V703-E720 HydrophobicContact CG1-CG 4.4Å; V703-Y723 CarbonylContact C-O 3.41Å; V703-Y723 VanDerWaalsContact CA-O 3.31Å; V703-Y723 WeakPolarHBondContact CA-O 3.25Å
704	S	96.7	Very high	86.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.			trans	-70.6	164.4	166	81.9	0	0	0	0	110.6	Q706 W707 Y723	S704-Q706 PolarHBondContact O-N 3.11Å; S704-Q706 PolarHBondContact OG-N 3.17Å; S704-Q706 PolarHBondContact OG-OE1 3.1Å; S704-W707 WeakPolarHBondContact O-CB 3.13Å; S704-W707 PolarHBondContact O-N 2.71Å; S704-Y723 PolarHBondContact N-O 3.14Å
705	P	95.8	Very high	88.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-22.7	179.5	-18.9	33.6	0	0	0	113.3	L589 I667 A668 W707 L708 W709 F734	L589-P705 HydrophobicContact CD1-CB 4.04Å; L589-P705 HydrophobicContact CD1-CG 4.16Å; L589-P705 HydrophobicContact CD2-CB 3.92Å; L589-P705 HydrophobicContact CD2-CG 4Å; L589-P705 HydrophobicContact CG-CB 4.43Å; L589-P705 HydrophobicContact CG-CG 4.26Å; I667-P705 HydrophobicContact CG2-CB 4.41Å; A668-P705 WeakPolarHBondContact O-CD 3.23Å; P705-W707 PolarHBondContact O-N 2.66Å; P705-W707 VanDerWaalsContact O-N 3.15Å; P705-L708 PolarHBondContact O-N 2.74Å; P705-W709 HydrophobicContact CB-CE3 4.41Å; P705-W709 HydrophobicContact CB-CZ3 4.32Å; P705-W709 PolarHBondContact O-N 2.85Å; P705-F734 HydrophobicContact CB-CD1 4.13Å; P705-F734 HydrophobicContact CB-CD2 3.75Å; P705-F734 HydrophobicContact CB-CE1 3.95Å; P705-F734 HydrophobicContact CB-CE2 3.55Å; P705-F734 HydrophobicContact CB-CG 4.05Å; P705-F734 HydrophobicContact CB-CZ 3.67Å; P705-F734 HydrophobicContact CG-CD2 4.06Å; P705-F734 HydrophobicContact CG-CE2 3.59Å; P705-F734 HydrophobicContact CG-CZ 3.99Å
706	Q	94.7	Very high	90.8	Very high	71 Å²	71	28.6 Å²	28.6	33%	0.332	16%	0.163	S	C	.	.	H	α-helix	trans	-55.8	-33.1	178.9	-63.9	169.7	-68.3	0	0	112.1	S704 L708 W709 S710 Y723 F729 F734	S704-Q706 PolarHBondContact O-N 3.11Å; S704-Q706 PolarHBondContact OG-N 3.17Å; S704-Q706 PolarHBondContact OG-OE1 3.1Å; Q706-L708 PolarHBondContact O-N 2.8Å; Q706-W709 PolarHBondContact O-N 2.77Å; Q706-S710 WeakPolarHBondContact O-CB 3.31Å; Q706-S710 PolarHBondContact O-N 2.72Å; Q706-S710 PolarHBondContact O-OG 3.18Å; Q706-Y723 HydrophobicContact CB-CD1 3.75Å; Q706-Y723 HydrophobicContact CB-CE1 4.21Å; Q706-F729 HydrophobicContact CG-CE1 4.1Å; Q706-F729 VanDerWaalsContact OE1-CZ 3.25Å; Q706-F734 HydrophobicContact CB-CE1 4.45Å; Q706-F734 HydrophobicContact CG-CE1 3.7Å; Q706-F734 HydrophobicContact CG-CZ 3.82Å
707	W	97.1	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-53.5	-51.8	174	178.5	74.4	0	0	0	112.5	L578 I584 H665 I667 V703 S704 P705 W709 S710 C711 H717 V718 E720 Y723	L578-W707 HydrophobicContact CD2-CH2 3.95Å; L578-W707 HydrophobicContact CD2-CZ2 4.32Å; I584-W707 HydrophobicContact CD1-CH2 4.21Å; I584-W707 HydrophobicContact CD1-CZ3 3.98Å; H665-W707 AromaticContact CD2-CH2 3.39Å; H665-W707 WeakPolarHBondContact CD2-CH2 3.18Å; H665-W707 AromaticContact CD2-CZ2 3.53Å; H665-W707 AromaticContact CD2-CZ3 3.93Å; H665-W707 AromaticContact CG-CH2 3.93Å; H665-W707 AromaticContact NE2-CH2 3.67Å; H665-W707 AromaticContact NE2-CZ2 3.4Å; H665-W707 WeakPolarHBondContact NE2-CZ2 3.13Å; I667-W707 HydrophobicContact CD1-CE3 4.05Å; I667-W707 HydrophobicContact CD1-CZ3 3.88Å; I667-W707 HydrophobicContact CG1-CE3 4.25Å; I667-W707 HydrophobicContact CG1-CZ3 4.28Å; V703-W707 HydrophobicContact CB-CB 3.94Å; V703-W707 HydrophobicContact CB-CG 4.16Å; V703-W707 HydrophobicContact CG1-CB 4.41Å; V703-W707 HydrophobicContact CG1-CG 4.19Å; V703-W707 HydrophobicContact CG2-CB 4.05Å; V703-W707 HydrophobicContact CG2-CD2 4.02Å; V703-W707 HydrophobicContact CG2-CE3 3.88Å; V703-W707 HydrophobicContact CG2-CG 4.11Å; S704-W707 WeakPolarHBondContact O-CB 3.13Å; S704-W707 PolarHBondContact O-N 2.71Å; P705-W707 PolarHBondContact O-N 2.66Å; P705-W707 VanDerWaalsContact O-N 3.15Å; W707-W709 PolarHBondContact O-N 3.15Å; W707-S710 PolarHBondContact O-N 3.3Å; W707-C711 PolarHBondContact O-N 2.71Å; W707-C711 PolarHBondContact O-SG 3.27Å; W707-C711 VanDerWaalsContact O-SG 3.35Å; W707-H717 AromaticContact CZ2-NE2 3.55Å; W707-V718 PolarHBondContact NE1-O 3.47Å; W707-E720 HydrophobicContact CZ2-CG 4.39Å; W707-Y723 HydrophobicContact CB-CD1 4.44Å; W707-Y723 HydrophobicContact CB-CD2 4.16Å; W707-Y723 HydrophobicContact CB-CG 3.85Å; W707-Y723 AromaticContact CD1-CD2 3.74Å; W707-Y723 HydrophobicContact CG-CD2 4.38Å
708	L	97.3	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.8	-38.2	-177	-179.1	66	0	0	0	112	L578 A601 I604 V605 L608 I667 P705 Q706 C711 H712	L578-L708 HydrophobicContact CD1-CD1 4.19Å; A601-L708 HydrophobicContact CB-CD2 4.29Å; I604-L708 HydrophobicContact CG2-CD1 3.91Å; I604-L708 HydrophobicContact CG2-CD2 4.28Å; I604-L708 HydrophobicContact CG2-CG 3.87Å; V605-L708 HydrophobicContact CG2-CD1 3.8Å; V605-L708 HydrophobicContact CG2-CD2 3.78Å; V605-L708 HydrophobicContact CG2-CG 4.47Å; L608-L708 HydrophobicContact CD1-CD1 4.4Å; I667-L708 HydrophobicContact CD1-CB 4.1Å; I667-L708 HydrophobicContact CD1-CD1 4.29Å; I667-L708 HydrophobicContact CD1-CD2 3.95Å; I667-L708 HydrophobicContact CD1-CG 4.34Å; P705-L708 PolarHBondContact O-N 2.74Å; Q706-L708 PolarHBondContact O-N 2.8Å; L708-C711 PolarHBondContact O-N 2.91Å; L708-H712 WeakPolarHBondContact O-CB 3.46Å; L708-H712 PolarHBondContact O-N 3.26Å
709	W	94.8	Very high	95.2	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.045	14%	0.142	C	C	.	.	H	α-helix	trans	-70.9	-34.9	176.1	-90.4	-107.2	0	0	0	111.7	L589 L600 A601 I604 P705 Q706 W707 H712 Y713 F734	L589-W709 HydrophobicContact CD2-CH2 4.34Å; L589-W709 HydrophobicContact CD2-CZ3 4.24Å; L600-W709 HydrophobicContact CD2-CZ2 4.17Å; L600-W709 HydrophobicContact CG-CZ2 4.19Å; A601-W709 HydrophobicContact CB-CH2 3.84Å; A601-W709 HydrophobicContact CB-CZ3 4.2Å; I604-W709 HydrophobicContact CD1-CD2 4.32Å; I604-W709 HydrophobicContact CD1-CH2 4.35Å; I604-W709 HydrophobicContact CD1-CZ2 3.76Å; P705-W709 HydrophobicContact CB-CE3 4.41Å; P705-W709 HydrophobicContact CB-CZ3 4.32Å; P705-W709 PolarHBondContact O-N 2.85Å; Q706-W709 PolarHBondContact O-N 2.77Å; W707-W709 PolarHBondContact O-N 3.15Å; W709-H712 PolarHBondContact O-N 2.77Å; W709-Y713 HydrophobicContact CB-CD2 4.34Å; W709-Y713 HydrophobicContact CB-CE2 4.11Å; W709-Y713 AromaticContact CD1-CE2 3.67Å; W709-Y713 AromaticContact CD1-CZ 3.77Å; W709-Y713 HydrophobicContact CG-CE2 4.32Å; W709-Y713 WeakPolarHBondContact O-CB 3.37Å; W709-Y713 WeakPolarHBondContact O-CD2 3.09Å; W709-Y713 VanDerWaalsContact O-CG 3.3Å; W709-Y713 PolarHBondContact O-N 3.4Å; W709-F734 HydrophobicContact CD2-CB 4Å; W709-F734 HydrophobicContact CD2-CD1 4Å; W709-F734 HydrophobicContact CD2-CG 4.38Å; W709-F734 HydrophobicContact CE3-CB 4.17Å; W709-F734 HydrophobicContact CE3-CD1 4.14Å; W709-F734 HydrophobicContact CE3-CG 4.35Å; W709-F734 HydrophobicContact CG-CD1 4.19Å; W709-F734 HydrophobicContact CH2-CB 3.7Å; W709-F734 HydrophobicContact CZ2-CB 3.53Å; W709-F734 VanDerWaalsContact CZ2-O 3.25Å; W709-F734 WeakPolarHBondContact CZ2-O 3.33Å; W709-F734 HydrophobicContact CZ3-CB 4.02Å; W709-F734 HydrophobicContact CZ3-CG 4.43Å; W709-F734 PolarHBondContact NE1-O 3.11Å; W709-F734 VanDerWaalsContact NE1-O 3.15Å
710	S	94.6	Very high	95.7	Very high	21 Å²	21	24.9 Å²	24.9	15%	0.147	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-45.2	169.5	-76.3	0	0	0	0	112.1	Q706 W707 H712 Y713 H714 Y723	Q706-S710 WeakPolarHBondContact O-CB 3.31Å; Q706-S710 PolarHBondContact O-N 2.72Å; Q706-S710 PolarHBondContact O-OG 3.18Å; W707-S710 PolarHBondContact O-N 3.3Å; S710-H712 VanDerWaalsContact C-N 3.27Å; S710-H712 PolarHBondContact O-N 3.04Å; S710-Y713 PolarHBondContact O-N 2.87Å; S710-H714 WeakPolarHBondContact O-CB 3.48Å; S710-H714 PolarHBondContact O-CD2 3.21Å; S710-H714 VanDerWaalsContact O-CD2 3.23Å; S710-H714 PolarHBondContact O-N 2.86Å; S710-Y723 VanDerWaalsContact CB-OH 3.26Å; S710-Y723 WeakPolarHBondContact CB-OH 3.46Å; S710-Y723 WeakPolarHBondContact OG-CE1 3.45Å; S710-Y723 PolarHBondContact OG-OH 3.1Å
711	C	97.2	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-41.2	172.2	-65.3	0	0	0	0	112.1	V577 L578 L608 W707 L708 W715 D716	V577-C711 HydrophobicContact CG1-CB 4.29Å; L578-C711 HydrophobicContact CD2-CB 4.07Å; L608-C711 HydrophobicContact CD1-CB 4.01Å; W707-C711 PolarHBondContact O-N 2.71Å; W707-C711 PolarHBondContact O-SG 3.27Å; W707-C711 VanDerWaalsContact O-SG 3.35Å; L708-C711 PolarHBondContact O-N 2.91Å; C711-W715 WeakPolarHBondContact O-CA 3.4Å; C711-W715 PolarHBondContact O-N 3.34Å; C711-D716 WeakPolarHBondContact CA-O 3.17Å
712	H	95.9	Very high	95.6	Very high	8 Å²	8	37 Å²	37	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-42.2	179.1	169.8	50.4	0	0	0	113.6	H283 R574 I604 L608 L708 W709 S710	H283-H712 VanDerWaalsContact CB-CE1 3.46Å; H283-H712 WeakPolarHBondContact CB-CE1 3.32Å; H283-H712 WeakPolarHBondContact CB-NE2 3.47Å; H283-H712 AromaticContact CD2-NE2 3.26Å; H283-H712 PolarHBondContact CD2-NE2 2.94Å; H283-H712 VanDerWaalsContact CD2-NE2 3.26Å; H283-H712 AromaticContact CE1-NE2 2.96Å; H283-H712 PolarHBondContact CE1-NE2 2.94Å; H283-H712 AromaticContact CG-CE1 3.93Å; H283-H712 AromaticContact CG-NE2 2.61Å; H283-H712 AromaticContact ND1-CE1 3.87Å; H283-H712 AromaticContact ND1-NE2 2.4Å; H283-H712 PolarHBondContact ND1-NE2 2.98Å; H283-H712 AromaticContact NE2-NE2 3.39Å; H283-H712 PolarHBondContact NE2-NE2 3.45Å; H283-H712 PolarHBondContact O-CE1 3.08Å; H283-H712 PolarHBondContact O-NE2 3.29Å; R574-H712 PolarHBondContact NH1-CE1 3.01Å; R574-H712 PolarHBondContact NH1-ND1 3.14Å; R574-H712 PolarHBondContact NH2-CE1 3.35Å; R574-H712 VanDerWaalsContact NH2-CE1 3.29Å; R574-H712 PolarHBondContact NH2-ND1 3.04Å; I604-H712 HydrophobicContact CG2-CB 3.72Å; L608-H712 HydrophobicContact CD1-CB 4.17Å; L708-H712 WeakPolarHBondContact O-CB 3.46Å; L708-H712 PolarHBondContact O-N 3.26Å; W709-H712 PolarHBondContact O-N 2.77Å; S710-H712 VanDerWaalsContact C-N 3.27Å; S710-H712 PolarHBondContact O-N 3.04Å
713	Y	95	Very high	95.6	Very high	29 Å²	29	37.4 Å²	37.4	11%	0.114	18%	0.184	C	C	.	.	H	α-helix	trans	-84.2	-28.4	-175.6	-66.7	-43.4	0	0	0	114.3	H283 V284 K285 Y485 W709 S710	H283-Y713 AromaticContact CD2-CE1 4Å; H283-Y713 AromaticContact NE2-CE1 3.72Å; H283-Y713 PolarHBondContact NE2-OH 3.05Å; V284-Y713 WeakPolarHBondContact O-CE1 3.18Å; K285-Y713 HydrophobicContact CB-CD1 4.09Å; K285-Y713 HydrophobicContact CB-CD2 3.81Å; K285-Y713 HydrophobicContact CB-CE1 4.37Å; K285-Y713 HydrophobicContact CB-CE2 4.1Å; K285-Y713 HydrophobicContact CB-CG 3.81Å; K285-Y713 HydrophobicContact CG-CD2 4.15Å; K285-Y713 HydrophobicContact CG-CE2 4.27Å; Y485-Y713 WeakPolarHBondContact CE2-O 3.43Å; Y485-Y713 PolarHBondContact OH-O 3.24Å; W709-Y713 HydrophobicContact CB-CD2 4.34Å; W709-Y713 HydrophobicContact CB-CE2 4.11Å; W709-Y713 AromaticContact CD1-CE2 3.67Å; W709-Y713 AromaticContact CD1-CZ 3.77Å; W709-Y713 HydrophobicContact CG-CE2 4.32Å; W709-Y713 WeakPolarHBondContact O-CB 3.37Å; W709-Y713 WeakPolarHBondContact O-CD2 3.09Å; W709-Y713 VanDerWaalsContact O-CG 3.3Å; W709-Y713 PolarHBondContact O-N 3.4Å; S710-Y713 PolarHBondContact O-N 2.87Å
714	H	94.3	Very high	95.5	Very high	32 Å²	32	40.6 Å²	40.6	15%	0.148	21%	0.205	C	C	.	.	H	α-helix	trans	-98.9	-12.7	178.8	-61.5	-73.9	0	0	0	114.1	S710 D716	S710-H714 WeakPolarHBondContact O-CB 3.48Å; S710-H714 PolarHBondContact O-CD2 3.21Å; S710-H714 VanDerWaalsContact O-CD2 3.23Å; S710-H714 PolarHBondContact O-N 2.86Å; H714-D716 PolarHBondContact O-N 2.85Å
715	W	96.4	Very high	95.4	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.027	21%	0.209	C	C	.	.	S	Bend	trans	56.4	32	-174.6	-65.6	32.9	0	0	0	113.4	I282 I492 I496 I570 L573 R574 V577 C711	I282-W715 HydrophobicContact CD1-CZ2 4.46Å; I282-W715 HydrophobicContact CG1-CZ2 4.13Å; I282-W715 HydrophobicContact CG2-CZ2 4.1Å; I492-W715 HydrophobicContact CD1-CB 3.97Å; I492-W715 HydrophobicContact CD1-CD2 4.29Å; I492-W715 HydrophobicContact CD1-CG 3.78Å; I492-W715 HydrophobicContact CG1-CB 4.15Å; I492-W715 HydrophobicContact CG1-CD2 4.33Å; I492-W715 HydrophobicContact CG1-CG 4.15Å; I492-W715 HydrophobicContact CG2-CD2 3.73Å; I492-W715 HydrophobicContact CG2-CE3 3.72Å; I492-W715 HydrophobicContact CG2-CG 4.37Å; I492-W715 HydrophobicContact CG2-CH2 3.91Å; I492-W715 HydrophobicContact CG2-CZ2 3.93Å; I492-W715 HydrophobicContact CG2-CZ3 3.8Å; I496-W715 HydrophobicContact CD1-CH2 3.76Å; I496-W715 HydrophobicContact CD1-CZ3 4.15Å; I496-W715 HydrophobicContact CG1-CH2 4.26Å; I496-W715 HydrophobicContact CG1-CZ3 4.23Å; I570-W715 HydrophobicContact CB-CH2 4.32Å; I570-W715 HydrophobicContact CG1-CH2 4.27Å; I570-W715 HydrophobicContact CG2-CH2 3.9Å; I570-W715 HydrophobicContact CG2-CZ2 4.28Å; L573-W715 HydrophobicContact CB-CE3 4.06Å; L573-W715 HydrophobicContact CB-CZ3 3.61Å; L573-W715 HydrophobicContact CD1-CZ3 4.21Å; R574-W715 HydrophobicContact CG-CD2 3.91Å; R574-W715 HydrophobicContact CG-CE3 4Å; R574-W715 HydrophobicContact CG-CH2 3.7Å; R574-W715 HydrophobicContact CG-CZ2 3.57Å; R574-W715 HydrophobicContact CG-CZ3 3.92Å; V577-W715 HydrophobicContact CG2-CB 4.08Å; V577-W715 WeakPolarHBondContact CG2-O 3.2Å; C711-W715 WeakPolarHBondContact O-CA 3.4Å; C711-W715 PolarHBondContact O-N 3.34Å
716	D	94.8	Very high	95.3	Very high	49 Å²	49	44.7 Å²	44.7	26%	0.262	23%	0.226	S	C	.	.	S	Bend	trans	-126.1	151.9	177.9	-64.1	-33.5	0	0	0	110.3	R488 C711 H714 V718	R488-D716 IonicContact CZ-OD2 3.26Å; R488-D716 IonicContact NH1-OD2 2.8Å; R488-D716 PolarHBondContact NH1-OD2 3.35Å; R488-D716 IonicContact NH2-OD1 2.68Å; R488-D716 IonicContact NH2-OD2 3.17Å; R488-D716 PolarHBondContact NH2-OD2 3.43Å; C711-D716 WeakPolarHBondContact CA-O 3.17Å; H714-D716 PolarHBondContact O-N 2.85Å; D716-V718 HydrophobicContact CB-CG1 4.46Å; D716-V718 PolarHBondContact O-N 2.98Å; D716-V718 VanDerWaalsContact O-N 3.16Å
717	H	96.3	Very high	95.2	Very high	89 Å²	89	47.6 Å²	47.6	41%	0.412	23%	0.234	S	C	.	.			trans	-78.6	93	169.3	-162.9	-124.4	0	0	0	109.5	V577 W707 E720	V577-H717 WeakPolarHBondContact O-CB 3.5Å; W707-H717 AromaticContact CZ2-NE2 3.55Å; H717-E720 IonicContact CE1-OE1 3.71Å; H717-E720 PolarHBondContact CE1-OE1 3.37Å
718	V	94.2	Very high	95	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.127	26%	0.256	C	S	.	.			trans	-77.9	137.5	-175.7	-59.5	0	0	0	0	112.1	W707 D716 E720 Y723	W707-V718 PolarHBondContact NE1-O 3.47Å; D716-V718 HydrophobicContact CB-CG1 4.46Å; D716-V718 PolarHBondContact O-N 2.98Å; D716-V718 VanDerWaalsContact O-N 3.16Å; V718-E720 PolarHBondContact O-N 2.88Å; V718-Y723 HydrophobicContact CB-CE2 4Å; V718-Y723 HydrophobicContact CG2-CD2 4.18Å; V718-Y723 HydrophobicContact CG2-CE2 3.42Å; V718-Y723 VanDerWaalsContact CG2-CE2 3.42Å
719	C	95.9	Very high	94.7	Very high	56 Å²	56	52.5 Å²	52.5	38%	0.378	26%	0.26	S	S	.	.			trans	-53.1	124.3	-178.5	177.7	0	0	0	0	112.7	L721 K722 Y723	C719-L721 VanDerWaalsContact C-N 3.27Å; C719-L721 PolarHBondContact O-N 3Å; C719-K722 WeakPolarHBondContact O-CB 3.2Å; C719-K722 PolarHBondContact O-N 3.29Å; C719-Y723 WeakPolarHBondContact O-CD2 3.42Å
720	E	96	Very high	94.2	Very high	35 Å²	35	53.1 Å²	53.1	16%	0.164	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.2	-31.9	-172.4	-50.3	82.4	178.3	0	0	112.1	H665 H701 V703 W707 H717 V718 K722 Y723	H665-E720 WeakPolarHBondContact NE2-CG 3.26Å; H665-E720 IonicContact NE2-OE1 3.41Å; H701-E720 HydrophobicContact CB-CB 4.15Å; H701-E720 HydrophobicContact CB-CG 3.98Å; H701-E720 IonicContact CE1-OE1 3.98Å; H701-E720 IonicContact CE1-OE2 3.64Å; H701-E720 WeakPolarHBondContact ND1-CG 3.3Å; H701-E720 IonicContact ND1-OE1 3.61Å; H701-E720 IonicContact ND1-OE2 3.9Å; V703-E720 HydrophobicContact CG1-CB 3.78Å; V703-E720 HydrophobicContact CG1-CG 4.4Å; W707-E720 HydrophobicContact CZ2-CG 4.39Å; H717-E720 IonicContact CE1-OE1 3.71Å; H717-E720 PolarHBondContact CE1-OE1 3.37Å; V718-E720 PolarHBondContact O-N 2.88Å; E720-K722 PolarHBondContact O-N 3.39Å; E720-K722 VanDerWaalsContact O-N 3.16Å; E720-Y723 PolarHBondContact O-N 2.98Å
721	L	93.6	Very high	93.6	Very high	150 Å²	150	52.8 Å²	52.8	79%	0.785	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.1	179.5	-62	177.6	0	0	0	113.4	C719 Y723	C719-L721 VanDerWaalsContact C-N 3.27Å; C719-L721 PolarHBondContact O-N 3Å; L721-Y723 VanDerWaalsContact C-N 3.27Å
722	K	93.6	Very high	92.6	Very high	162 Å²	162	54.2 Å²	54.2	70%	0.704	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-76.7	-13	175.1	-63.9	-177.8	179	-178.3	0	113.1	C719 E720	C719-K722 WeakPolarHBondContact O-CB 3.2Å; C719-K722 PolarHBondContact O-N 3.29Å; E720-K722 PolarHBondContact O-N 3.39Å; E720-K722 VanDerWaalsContact O-N 3.16Å
723	Y	95.8	Very high	91.9	Very high	41 Å²	41	57.3 Å²	57.3	16%	0.161	29%	0.287	C	S	.	.	S	Bend	trans	-129.3	51.8	-171.8	-55.1	-88.2	0	0	0	113.1	V703 S704 Q706 W707 S710 V718 C719 E720 L721	V703-Y723 CarbonylContact C-O 3.41Å; V703-Y723 VanDerWaalsContact CA-O 3.31Å; V703-Y723 WeakPolarHBondContact CA-O 3.25Å; S704-Y723 PolarHBondContact N-O 3.14Å; Q706-Y723 HydrophobicContact CB-CD1 3.75Å; Q706-Y723 HydrophobicContact CB-CE1 4.21Å; W707-Y723 HydrophobicContact CB-CD1 4.44Å; W707-Y723 HydrophobicContact CB-CD2 4.16Å; W707-Y723 HydrophobicContact CB-CG 3.85Å; W707-Y723 AromaticContact CD1-CD2 3.74Å; W707-Y723 HydrophobicContact CG-CD2 4.38Å; S710-Y723 VanDerWaalsContact CB-OH 3.26Å; S710-Y723 WeakPolarHBondContact CB-OH 3.46Å; S710-Y723 WeakPolarHBondContact OG-CE1 3.45Å; S710-Y723 PolarHBondContact OG-OH 3.1Å; V718-Y723 HydrophobicContact CB-CE2 4Å; V718-Y723 HydrophobicContact CG2-CD2 4.18Å; V718-Y723 HydrophobicContact CG2-CE2 3.42Å; V718-Y723 VanDerWaalsContact CG2-CE2 3.42Å; C719-Y723 WeakPolarHBondContact O-CD2 3.42Å; E720-Y723 PolarHBondContact O-N 2.98Å; L721-Y723 VanDerWaalsContact C-N 3.27Å
724	P	95.5	Very high	91.4	Very high	70 Å²	70	57.1 Å²	57.1	46%	0.455	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-64.8	158.6	177.6	31.5	-36.8	0	0	0	111.3	D726	P724-D726 PolarHBondContact O-N 2.79Å
725	L	95.3	Very high	90.6	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.084	28%	0.284	C	S	.	.			trans	-74.8	73.7	170.1	-170.2	62.2	0	0	0	110.7	A668 R671 V676 L702 R727 F729	A668-L725 HydrophobicContact CB-CD1 4.48Å; A668-L725 HydrophobicContact CB-CD2 3.96Å; A668-L725 WeakPolarHBondContact O-CD1 3.48Å; R671-L725 HydrophobicContact CB-CD2 4.37Å; R671-L725 HydrophobicContact CG-CD2 3.67Å; R671-L725 HydrophobicContact CG-CG 3.71Å; R671-L725 PolarHBondContact NE-O 3.21Å; R671-L725 PolarHBondContact NH2-O 3.42Å; V676-L725 HydrophobicContact CG1-CD2 4.13Å; V676-L725 HydrophobicContact CG2-CD2 4.15Å; L702-L725 HydrophobicContact CD1-CD2 4.19Å; L702-L725 HydrophobicContact CG-CB 4.4Å; L725-R727 WeakPolarHBondContact CD1-O 3.5Å; L725-F729 HydrophobicContact CD1-CD2 4.43Å; L725-F729 HydrophobicContact CD1-CE2 4.42Å
726	D	92.7	Very high	89.1	Confident	69 Å²	69	60.1 Å²	60.1	37%	0.369	31%	0.31	S	S	.	.			trans	-77.5	-25.6	-174.9	77.9	-46.3	0	0	0	114	R671 P724 F729	R671-D726 PolarHBondContact NH1-O 3Å; R671-D726 VanDerWaalsContact NH2-CA 3.31Å; R671-D726 PolarHBondContact NH2-O 3.37Å; P724-D726 PolarHBondContact O-N 2.79Å; D726-F729 WeakPolarHBondContact OD1-CZ 3.38Å
727	R	92.7	Very high	87.6	Confident	133 Å²	133	61.1 Å²	61.1	50%	0.502	32%	0.315	S	S	.	.	S	Bend	trans	-150.5	175.5	178.6	65.6	-150.2	178.3	-162.6	10.2	111.6	L725 F729	L725-R727 WeakPolarHBondContact CD1-O 3.5Å; R727-F729 HydrophobicContact CG-CD2 4.11Å; R727-F729 HydrophobicContact CG-CE1 4.25Å; R727-F729 HydrophobicContact CG-CE2 3.64Å; R727-F729 HydrophobicContact CG-CZ 3.73Å; R727-F729 WeakPolarHBondContact O-CD2 3.44Å; R727-F729 WeakPolarHBondContact O-CE2 3.24Å
728	D	92.9	Very high	86.2	Confident	86 Å²	86	58.1 Å²	58.1	46%	0.46	30%	0.302	S	S	.	.			trans	-87.5	131.8	167.3	-86.7	28.6	0	0	0	109.1	C669 R670 R671	C669-D728 CarbonylContact O-C 3.49Å; C669-D728 WeakPolarHBondContact O-CA 3.44Å; R670-D728 WeakPolarHBondContact CA-OD1 3.36Å; R670-D728 VanDerWaalsContact CB-OD2 3.28Å; R670-D728 WeakPolarHBondContact CB-OD2 3.46Å; R670-D728 HydrophobicContact CG-CB 4.32Å; R670-D728 VanDerWaalsContact CG-OD2 3.31Å; R670-D728 WeakPolarHBondContact CG-OD2 3.28Å; R671-D728 WeakPolarHBondContact CB-OD1 3.39Å; R671-D728 WeakPolarHBondContact CG-OD1 3.48Å; R671-D728 PolarHBondContact N-OD1 3.25Å
729	F	90.8	Very high	84.4	Confident	16 Å²	16	63.1 Å²	63.1	7%	0.07	32%	0.324	C	S	.	.			trans	-107.7	158	179	-61.2	-103.8	0	0	0	110.9	C669 Q706 L725 D726 R727 F734	C669-F729 PolarHBondContact O-N 2.89Å; Q706-F729 HydrophobicContact CG-CE1 4.1Å; Q706-F729 VanDerWaalsContact OE1-CZ 3.25Å; L725-F729 HydrophobicContact CD1-CD2 4.43Å; L725-F729 HydrophobicContact CD1-CE2 4.42Å; D726-F729 WeakPolarHBondContact OD1-CZ 3.38Å; R727-F729 HydrophobicContact CG-CD2 4.11Å; R727-F729 HydrophobicContact CG-CE1 4.25Å; R727-F729 HydrophobicContact CG-CE2 3.64Å; R727-F729 HydrophobicContact CG-CZ 3.73Å; R727-F729 WeakPolarHBondContact O-CD2 3.44Å; R727-F729 WeakPolarHBondContact O-CE2 3.24Å; F729-F734 HydrophobicContact CB-CE2 3.86Å; F729-F734 HydrophobicContact CB-CZ 4.46Å; F729-F734 HydrophobicContact CD1-CE2 4.01Å; F729-F734 AromaticContact CD1-CZ 3.75Å; F729-F734 HydrophobicContact CD1-CZ 3.75Å; F729-F734 HydrophobicContact CE1-CZ 4.32Å; F729-F734 HydrophobicContact CG-CE2 4.19Å; F729-F734 HydrophobicContact CG-CZ 4.3Å
730	H	84.8	Confident	82.6	Confident	25 Å²	25	61 Å²	61	12%	0.116	31%	0.309	C	S	.	.			trans	-94.9	140.4	172.9	-163.7	-98.1	0	0	0	110.1	S732 D733	H730-S732 WeakPolarHBondContact ND1-CB 3.38Å; H730-S732 PolarHBondContact ND1-N 3.28Å; H730-S732 PolarHBondContact ND1-OG 3.18Å; H730-S732 PolarHBondContact O-N 3.31Å; H730-D733 WeakPolarHBondContact CA-OD2 3.37Å; H730-D733 WeakPolarHBondContact CB-OD2 3.23Å; H730-D733 PolarHBondContact N-OD2 2.73Å; H730-D733 VanDerWaalsContact O-CB 3.25Å; H730-D733 WeakPolarHBondContact O-CB 3.42Å; H730-D733 PolarHBondContact O-N 3.1Å; H730-D733 VanDerWaalsContact O-OD2 3.13Å
731	P	82.8	Confident	80.5	Confident	15 Å²	15	63.1 Å²	63.1	10%	0.097	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-57.6	-37.1	179	-26	35.9	0	0	0	112.9	G588 D733 F734 D735 I738	G588-P731 WeakPolarHBondContact O-CG 3.39Å; P731-D733 PolarHBondContact O-N 3.48Å; P731-F734 PolarHBondContact O-N 3.2Å; P731-D735 PolarHBondContact O-N 2.71Å; P731-I738 HydrophobicContact CB-CD1 3.67Å; P731-I738 HydrophobicContact CB-CG2 4.18Å
732	S	75.5	Confident	78.3	Confident	29 Å²	29	60.4 Å²	60.4	20%	0.203	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-70.4	7.5	175	93.6	0	0	0	0	115.3	H730 F734 D735 R746	H730-S732 WeakPolarHBondContact ND1-CB 3.38Å; H730-S732 PolarHBondContact ND1-N 3.28Å; H730-S732 PolarHBondContact ND1-OG 3.18Å; H730-S732 PolarHBondContact O-N 3.31Å; S732-F734 VanDerWaalsContact C-N 3.29Å; S732-D735 WeakPolarHBondContact CA-O 3.31Å; S732-R746 PolarHBondContact OG-NH1 3.05Å
733	D	80.8	Confident	75.9	Confident	73 Å²	73	56.2 Å²	56.2	39%	0.39	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-80	-16.9	163.8	-65.2	-40	0	0	0	111.7	H730 P731 R746	H730-D733 WeakPolarHBondContact CA-OD2 3.37Å; H730-D733 WeakPolarHBondContact CB-OD2 3.23Å; H730-D733 PolarHBondContact N-OD2 2.73Å; H730-D733 VanDerWaalsContact O-CB 3.25Å; H730-D733 WeakPolarHBondContact O-CB 3.42Å; H730-D733 PolarHBondContact O-N 3.1Å; H730-D733 VanDerWaalsContact O-OD2 3.13Å; P731-D733 PolarHBondContact O-N 3.48Å; D733-R746 IonicContact OD1-CZ 2.66Å; D733-R746 IonicContact OD1-NH1 3.71Å; D733-R746 PolarHBondContact OD1-NH1 3.21Å; D733-R746 IonicContact OD1-NH2 2.69Å; D733-R746 PolarHBondContact OD1-NH2 3.36Å; D733-R746 IonicContact OD2-NH1 3.11Å; D733-R746 IonicContact OD2-NH2 3.88Å
734	F	84.9	Confident	73.9	Confident	25 Å²	25	56.3 Å²	56.3	11%	0.11	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-29.9	-170.4	-55.1	-75.5	0	0	0	113.2	P705 Q706 W709 F729 P731 S732	P705-F734 HydrophobicContact CB-CD1 4.13Å; P705-F734 HydrophobicContact CB-CD2 3.75Å; P705-F734 HydrophobicContact CB-CE1 3.95Å; P705-F734 HydrophobicContact CB-CE2 3.55Å; P705-F734 HydrophobicContact CB-CG 4.05Å; P705-F734 HydrophobicContact CB-CZ 3.67Å; P705-F734 HydrophobicContact CG-CD2 4.06Å; P705-F734 HydrophobicContact CG-CE2 3.59Å; P705-F734 HydrophobicContact CG-CZ 3.99Å; Q706-F734 HydrophobicContact CB-CE1 4.45Å; Q706-F734 HydrophobicContact CG-CE1 3.7Å; Q706-F734 HydrophobicContact CG-CZ 3.82Å; W709-F734 HydrophobicContact CD2-CB 4Å; W709-F734 HydrophobicContact CD2-CD1 4Å; W709-F734 HydrophobicContact CD2-CG 4.38Å; W709-F734 HydrophobicContact CE3-CB 4.17Å; W709-F734 HydrophobicContact CE3-CD1 4.14Å; W709-F734 HydrophobicContact CE3-CG 4.35Å; W709-F734 HydrophobicContact CG-CD1 4.19Å; W709-F734 HydrophobicContact CH2-CB 3.7Å; W709-F734 HydrophobicContact CZ2-CB 3.53Å; W709-F734 VanDerWaalsContact CZ2-O 3.25Å; W709-F734 WeakPolarHBondContact CZ2-O 3.33Å; W709-F734 HydrophobicContact CZ3-CB 4.02Å; W709-F734 HydrophobicContact CZ3-CG 4.43Å; W709-F734 PolarHBondContact NE1-O 3.11Å; W709-F734 VanDerWaalsContact NE1-O 3.15Å; F729-F734 HydrophobicContact CB-CE2 3.86Å; F729-F734 HydrophobicContact CB-CZ 4.46Å; F729-F734 HydrophobicContact CD1-CE2 4.01Å; F729-F734 AromaticContact CD1-CZ 3.75Å; F729-F734 HydrophobicContact CD1-CZ 3.75Å; F729-F734 HydrophobicContact CE1-CZ 4.32Å; F729-F734 HydrophobicContact CG-CE2 4.19Å; F729-F734 HydrophobicContact CG-CZ 4.3Å; P731-F734 PolarHBondContact O-N 3.2Å; S732-F734 VanDerWaalsContact C-N 3.29Å
735	D	77.4	Confident	72.1	Confident	15 Å²	15	59.3 Å²	59.3	8%	0.08	33%	0.33	C	S	.	.			trans	-134.1	86.5	-178.5	-173	-15.3	0	0	0	107.7	L600 P731 S732 D737 I738	L600-D735 HydrophobicContact CB-CB 4.28Å; L600-D735 WeakPolarHBondContact CB-OD2 3.33Å; L600-D735 HydrophobicContact CD2-CB 4.18Å; L600-D735 PolarHBondContact N-OD2 3.49Å; P731-D735 PolarHBondContact O-N 2.71Å; S732-D735 WeakPolarHBondContact CA-O 3.31Å; D735-D737 PolarHBondContact O-N 3.19Å; D735-I738 HydrophobicContact CB-CD1 3.72Å; D735-I738 HydrophobicContact CB-CG1 4.01Å; D735-I738 PolarHBondContact O-N 2.76Å
736	P	65.9	Low	69.9	Low	88 Å²	88	63.2 Å²	63.2	57%	0.571	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.6	-167.9	27.9	-35.3	0	0	0	113.6	I738	P736-I738 PolarHBondContact O-N 2.89Å
737	D	61.7	Low	68.4	Low	69 Å²	69	63.6 Å²	63.6	37%	0.369	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.7	178.4	-57.7	-11.9	0	0	0	111.6	D735 E739	D735-D737 PolarHBondContact O-N 3.19Å; D737-E739 PolarHBondContact O-N 3.34Å; D737-E739 VanDerWaalsContact O-N 3.14Å
738	I	67.6	Low	66.9	Low	27 Å²	27	59 Å²	59	14%	0.138	33%	0.332	C	S	.	.	S	Bend	trans	-66.4	113.7	176.3	-61.5	179.2	0	0	0	110.1	P591 P731 D735 P736	P591-I738 HydrophobicContact CG-CD1 4.34Å; P591-I738 HydrophobicContact CG-CG1 4.37Å; P591-I738 HydrophobicContact CG-CG2 4.38Å; P731-I738 HydrophobicContact CB-CD1 3.67Å; P731-I738 HydrophobicContact CB-CG2 4.18Å; D735-I738 HydrophobicContact CB-CD1 3.72Å; D735-I738 HydrophobicContact CB-CG1 4.01Å; D735-I738 PolarHBondContact O-N 2.76Å; P736-I738 PolarHBondContact O-N 2.89Å
739	E	56.4	Low	65.5	Low	126 Å²	126	60.6 Å²	60.6	59%	0.589	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-49.8	128.2	176.3	-67	-153	117.9	0	0	112.4	D737 I741 R750	D737-E739 PolarHBondContact O-N 3.34Å; D737-E739 VanDerWaalsContact O-N 3.14Å; E739-I741 PolarHBondContact O-N 3.22Å; E739-R750 IonicContact OE1-NH2 3.56Å
740	P	57.4	Low	64	Low	11 Å²	11	62.2 Å²	62.2	7%	0.071	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-70.1	132.3	177.8	28.6	-33.4	0	0	0	110.4	R746 Y747 R750	P740-R746 HydrophobicContact CB-CB 3.93Å; P740-Y747 VanDerWaalsContact O-CD2 3.3Å; P740-Y747 WeakPolarHBondContact O-CD2 3.49Å; P740-R750 HydrophobicContact CG-CB 4.29Å
741	I	52	Low	63	Low	79 Å²	79	65.3 Å²	65.3	41%	0.405	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-57.1	131.2	-172	-57.9	170.7	0	0	0	110.8	R670 E739 G743 T744 Y747	R670-I741 VanDerWaalsContact NH2-CD1 3.34Å; E739-I741 PolarHBondContact O-N 3.22Å; I741-G743 PolarHBondContact O-N 2.93Å; I741-T744 HydrophobicContact CB-CG2 3.96Å; I741-T744 WeakPolarHBondContact O-CB 3.41Å; I741-T744 VanDerWaalsContact O-CG2 3.27Å; I741-T744 WeakPolarHBondContact O-CG2 3.38Å; I741-T744 PolarHBondContact O-N 3.24Å; I741-T744 PolarHBondContact O-OG1 3.35Å; I741-Y747 VanDerWaalsContact O-CB 3.26Å; I741-Y747 WeakPolarHBondContact O-CB 3.31Å
742	P	48.3	Very low	62.1	Low	94 Å²	94	72.6 Å²	72.6	61%	0.61	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	134.3	174.8	-32.3	36.9	0	0	0	113.6	T744 Y747	P742-T744 VanDerWaalsContact C-N 3.34Å; P742-Y747 HydrophobicContact CB-CD1 4.47Å; P742-Y747 HydrophobicContact CB-CD2 4.43Å; P742-Y747 HydrophobicContact CB-CE1 4.17Å; P742-Y747 HydrophobicContact CB-CE2 4.14Å; P742-Y747 HydrophobicContact CG-CD2 4.28Å; P742-Y747 HydrophobicContact CG-CE2 3.9Å
743	G	43.6	Very low	61.3	Low	74 Å²	74	79.7 Å²	79.7	76%	0.763	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-9.1	-176.5	0	0	0	0	0	115.8	I741	I741-G743 PolarHBondContact O-N 2.93Å
744	T	53	Low	60.3	Low	43 Å²	43	79.3 Å²	79.3	26%	0.264	40%	0.399	S	S	.	.	S	Bend	trans	-70.3	156.7	170.8	60.2	0	0	0	0	112	I741 P742 R746 Y747 A748	I741-T744 HydrophobicContact CB-CG2 3.96Å; I741-T744 WeakPolarHBondContact O-CB 3.41Å; I741-T744 VanDerWaalsContact O-CG2 3.27Å; I741-T744 WeakPolarHBondContact O-CG2 3.38Å; I741-T744 PolarHBondContact O-N 3.24Å; I741-T744 PolarHBondContact O-OG1 3.35Å; P742-T744 VanDerWaalsContact C-N 3.34Å; T744-R746 PolarHBondContact O-N 2.94Å; T744-Y747 PolarHBondContact O-N 3.42Å; T744-Y747 WeakPolarHBondContact OG1-CB 3.4Å; T744-Y747 PolarHBondContact OG1-N 2.91Å; T744-A748 WeakPolarHBondContact O-CB 3.23Å; T744-A748 PolarHBondContact O-N 3.47Å
745	I	57.8	Low	58.9	Low	132 Å²	132	85.5 Å²	85.5	68%	0.677	42%	0.423	S	S	*	.	H	α-helix	trans	-58.2	-33.1	172.4	-63.2	175.1	0	0	0	111.1	A748 K749	I745-A748 CarbonylContact O-C 3.44Å; I745-A748 PolarHBondContact O-N 2.93Å; I745-K749 PolarHBondContact O-N 3.39Å
746	R	50	Low	57.8	Low	99 Å²	99	92 Å²	92	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-69.6	-44.3	176.1	-66.9	-172.9	-174.7	-172.7	3.1	112.2	S732 D733 P740 T744 A748 K749 R750	S732-R746 PolarHBondContact OG-NH1 3.05Å; D733-R746 IonicContact OD1-CZ 2.66Å; D733-R746 IonicContact OD1-NH1 3.71Å; D733-R746 PolarHBondContact OD1-NH1 3.21Å; D733-R746 IonicContact OD1-NH2 2.69Å; D733-R746 PolarHBondContact OD1-NH2 3.36Å; D733-R746 IonicContact OD2-NH1 3.11Å; D733-R746 IonicContact OD2-NH2 3.88Å; P740-R746 HydrophobicContact CB-CB 3.93Å; T744-R746 PolarHBondContact O-N 2.94Å; R746-A748 VanDerWaalsContact C-N 3.33Å; R746-A748 PolarHBondContact O-N 2.84Å; R746-K749 PolarHBondContact O-N 3.46Å; R746-K749 VanDerWaalsContact O-N 3.15Å; R746-R750 WeakPolarHBondContact O-CB 3.46Å; R746-R750 PolarHBondContact O-N 2.74Å
747	Y	59.9	Low	57	Low	76 Å²	76	93.5 Å²	93.5	30%	0.298	45%	0.446	S	S	.	.	H	α-helix	trans	-58.9	-45.2	169.7	179	-96.4	0	0	0	111	P740 I741 P742 T744 K749 R750 M751	P740-Y747 VanDerWaalsContact O-CD2 3.3Å; P740-Y747 WeakPolarHBondContact O-CD2 3.49Å; I741-Y747 VanDerWaalsContact O-CB 3.26Å; I741-Y747 WeakPolarHBondContact O-CB 3.31Å; P742-Y747 HydrophobicContact CB-CD1 4.47Å; P742-Y747 HydrophobicContact CB-CD2 4.43Å; P742-Y747 HydrophobicContact CB-CE1 4.17Å; P742-Y747 HydrophobicContact CB-CE2 4.14Å; P742-Y747 HydrophobicContact CG-CD2 4.28Å; P742-Y747 HydrophobicContact CG-CE2 3.9Å; T744-Y747 PolarHBondContact O-N 3.42Å; T744-Y747 WeakPolarHBondContact OG1-CB 3.4Å; T744-Y747 PolarHBondContact OG1-N 2.91Å; Y747-K749 VanDerWaalsContact C-N 3.27Å; Y747-K749 PolarHBondContact O-N 3.26Å; Y747-R750 PolarHBondContact O-N 3.29Å; Y747-M751 HydrophobicContact CD1-CG 3.83Å; Y747-M751 HydrophobicContact CD2-CG 3.97Å; Y747-M751 HydrophobicContact CE1-CG 3.59Å; Y747-M751 HydrophobicContact CE2-CG 3.72Å; Y747-M751 HydrophobicContact CE2-SD 3.95Å; Y747-M751 HydrophobicContact CG-CG 4.03Å; Y747-M751 VanDerWaalsContact O-CB 3.27Å; Y747-M751 WeakPolarHBondContact O-CB 3.48Å; Y747-M751 VanDerWaalsContact O-CG 3.28Å; Y747-M751 WeakPolarHBondContact O-CG 3.34Å; Y747-M751 PolarHBondContact O-N 3.3Å
748	A	62.2	Low	56.4	Low	37 Å²	37	95.5 Å²	95.5	31%	0.306	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-20.4	176.2	0	0	0	0	0	114.3	T744 I745 R746 R752	T744-A748 WeakPolarHBondContact O-CB 3.23Å; T744-A748 PolarHBondContact O-N 3.47Å; I745-A748 CarbonylContact O-C 3.44Å; I745-A748 PolarHBondContact O-N 2.93Å; R746-A748 VanDerWaalsContact C-N 3.33Å; R746-A748 PolarHBondContact O-N 2.84Å; A748-R752 WeakPolarHBondContact O-CB 3.2Å; A748-R752 WeakPolarHBondContact O-CG 3.41Å; A748-R752 PolarHBondContact O-N 3.24Å; A748-R752 PolarHBondContact O-NE 3.47Å
749	K	62.4	Low	55.4	Low	119 Å²	119	99 Å²	99	52%	0.517	47%	0.469	S	S	.	.	H	α-helix	trans	-80.8	-47.7	167.8	-81	-171.1	175.1	-171.2	0	111	I745 R746 Y747 R752 R753	I745-K749 PolarHBondContact O-N 3.39Å; R746-K749 PolarHBondContact O-N 3.46Å; R746-K749 VanDerWaalsContact O-N 3.15Å; Y747-K749 VanDerWaalsContact C-N 3.27Å; Y747-K749 PolarHBondContact O-N 3.26Å; K749-R752 PolarHBondContact O-N 3.29Å; K749-R753 PolarHBondContact O-N 2.82Å
750	R	60.6	Low	55	Low	50 Å²	50	97.4 Å²	97.4	19%	0.189	46%	0.461	C	S	.	.	H	α-helix	trans	-62.7	-47.5	178.9	-179.5	168.5	160.2	152.3	-13.8	111.7	S303 E739 P740 R746 Y747 R752 R753 H754	S303-R750 PolarHBondContact O-NH2 2.99Å; E739-R750 IonicContact OE1-NH2 3.56Å; P740-R750 HydrophobicContact CG-CB 4.29Å; R746-R750 WeakPolarHBondContact O-CB 3.46Å; R746-R750 PolarHBondContact O-N 2.74Å; Y747-R750 PolarHBondContact O-N 3.29Å; R750-R752 VanDerWaalsContact C-N 3.35Å; R750-R752 PolarHBondContact O-N 3.25Å; R750-R753 PolarHBondContact O-N 3.23Å; R750-H754 PolarHBondContact O-N 3.06Å
751	M	62.4	Low	54.2	Low	90 Å²	90	100.3 Å²	100.3	44%	0.443	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-35.8	174.2	-66.8	-60.4	-75.4	0	0	112.5	Y747 H754 Y755	Y747-M751 HydrophobicContact CD1-CG 3.83Å; Y747-M751 HydrophobicContact CD2-CG 3.97Å; Y747-M751 HydrophobicContact CE1-CG 3.59Å; Y747-M751 HydrophobicContact CE2-CG 3.72Å; Y747-M751 HydrophobicContact CE2-SD 3.95Å; Y747-M751 HydrophobicContact CG-CG 4.03Å; Y747-M751 VanDerWaalsContact O-CB 3.27Å; Y747-M751 WeakPolarHBondContact O-CB 3.48Å; Y747-M751 VanDerWaalsContact O-CG 3.28Å; Y747-M751 WeakPolarHBondContact O-CG 3.34Å; Y747-M751 PolarHBondContact O-N 3.3Å; M751-H754 PolarHBondContact O-N 2.9Å; M751-Y755 VanDerWaalsContact O-CB 3.24Å; M751-Y755 WeakPolarHBondContact O-CB 3.46Å; M751-Y755 PolarHBondContact O-N 3.35Å
752	R	64.4	Low	53.7	Low	169 Å²	169	104 Å²	104	64%	0.638	50%	0.497	S	S	*	.	H	α-helix	trans	-66.2	-41.4	172.2	-89.5	-175.7	-75.6	-176.9	-6.5	112.1	A748 K749 R750 Y755 Y756	A748-R752 WeakPolarHBondContact O-CB 3.2Å; A748-R752 WeakPolarHBondContact O-CG 3.41Å; A748-R752 PolarHBondContact O-N 3.24Å; A748-R752 PolarHBondContact O-NE 3.47Å; K749-R752 PolarHBondContact O-N 3.29Å; R750-R752 VanDerWaalsContact C-N 3.35Å; R750-R752 PolarHBondContact O-N 3.25Å; R752-Y755 PolarHBondContact O-N 3.5Å; R752-Y756 WeakPolarHBondContact O-CB 3.17Å; R752-Y756 PolarHBondContact O-N 3.27Å
753	R	58.5	Low	53.2	Low	178 Å²	178	104.7 Å²	104.7	67%	0.672	49%	0.494	S	S	*	.	H	α-helix	trans	-59.9	-51	171.5	-73.4	-174.8	177.2	-179.7	-1.4	110.9	K749 R750 Y755 Y756 H757	K749-R753 PolarHBondContact O-N 2.82Å; R750-R753 PolarHBondContact O-N 3.23Å; R753-Y755 VanDerWaalsContact C-N 3.35Å; R753-Y755 PolarHBondContact O-N 3.39Å; R753-Y756 PolarHBondContact O-N 3.39Å; R753-Y756 VanDerWaalsContact O-N 3.17Å; R753-H757 PolarHBondContact O-CD2 2.8Å; R753-H757 PolarHBondContact O-N 3.17Å
754	H	59.6	Low	52.8	Low	64 Å²	64	108.1 Å²	108.1	30%	0.296	50%	0.495	S	S	.	.	H	α-helix	trans	-54.9	-48	177.2	-123.1	-83.6	0	0	0	112.1	Q304 R750 M751 Y756 H757 H758	Q304-H754 PolarHBondContact NE2-CE1 3Å; Q304-H754 PolarHBondContact NE2-NE2 2.89Å; R750-H754 PolarHBondContact O-N 3.06Å; M751-H754 PolarHBondContact O-N 2.9Å; H754-Y756 PolarHBondContact O-N 3.36Å; H754-H757 PolarHBondContact O-N 2.68Å; H754-H758 AromaticContact CE1-NE2 3.57Å; H754-H758 AromaticContact ND1-CD2 3.35Å; H754-H758 PolarHBondContact ND1-CD2 3.24Å; H754-H758 VanDerWaalsContact ND1-CD2 3.35Å; H754-H758 AromaticContact ND1-NE2 3.29Å; H754-H758 PolarHBondContact ND1-NE2 2.8Å; H754-H758 PolarHBondContact O-CD2 3.26Å; H754-H758 VanDerWaalsContact O-CD2 3.28Å; H754-H758 PolarHBondContact O-N 2.93Å
755	Y	55.9	Low	51.7	Low	155 Å²	155	111.5 Å²	111.5	61%	0.608	52%	0.521	S	S	*	.	H	α-helix	trans	-63	-41.9	178.2	-169.6	-89.4	0	0	0	112	M751 R752 R753 H759	M751-Y755 VanDerWaalsContact O-CB 3.24Å; M751-Y755 WeakPolarHBondContact O-CB 3.46Å; M751-Y755 PolarHBondContact O-N 3.35Å; R752-Y755 PolarHBondContact O-N 3.5Å; R753-Y755 VanDerWaalsContact C-N 3.35Å; R753-Y755 PolarHBondContact O-N 3.39Å; Y755-H759 AromaticContact CD1-CD2 3.85Å; Y755-H759 AromaticContact CD2-CD2 3.62Å; Y755-H759 AromaticContact CD2-NE2 3.89Å; Y755-H759 AromaticContact CE1-CD2 3.59Å; Y755-H759 AromaticContact CE2-CD2 3.33Å; Y755-H759 WeakPolarHBondContact CE2-CD2 3.28Å; Y755-H759 AromaticContact CE2-NE2 3.29Å; Y755-H759 VanDerWaalsContact CE2-NE2 3.29Å; Y755-H759 WeakPolarHBondContact CE2-NE2 3.48Å; Y755-H759 AromaticContact CG-CD2 3.86Å; Y755-H759 AromaticContact CZ-CD2 3.3Å; Y755-H759 AromaticContact CZ-NE2 3.5Å; Y755-H759 WeakPolarHBondContact O-CB 3.39Å; Y755-H759 PolarHBondContact O-CD2 3.04Å; Y755-H759 PolarHBondContact O-N 3.32Å
756	Y	53.4	Low	50.7	Low	151 Å²	151	110.2 Å²	110.2	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-64.3	-44.5	177.6	-147.5	-98.9	0	0	0	111.4	R752 R753 H754 H760	R752-Y756 WeakPolarHBondContact O-CB 3.17Å; R752-Y756 PolarHBondContact O-N 3.27Å; R753-Y756 PolarHBondContact O-N 3.39Å; R753-Y756 VanDerWaalsContact O-N 3.17Å; H754-Y756 PolarHBondContact O-N 3.36Å; Y756-H760 AromaticContact CD1-CD2 3.88Å; Y756-H760 AromaticContact CE1-CD2 3.64Å; Y756-H760 AromaticContact CE2-CD2 3.96Å; Y756-H760 AromaticContact CE2-NE2 3.95Å; Y756-H760 AromaticContact CZ-CD2 3.67Å; Y756-H760 AromaticContact CZ-NE2 3.65Å; Y756-H760 WeakPolarHBondContact O-CB 3.45Å; Y756-H760 PolarHBondContact O-N 3.46Å
757	H	50.5	Low	50.1	Low	120 Å²	120	112.8 Å²	112.8	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-64.5	-47.6	177.5	-69.9	-62.4	0	0	0	112.4	R753 H754 H759 S761	R753-H757 PolarHBondContact O-CD2 2.8Å; R753-H757 PolarHBondContact O-N 3.17Å; H754-H757 PolarHBondContact O-N 2.68Å; H757-H759 PolarHBondContact O-N 2.72Å; H757-S761 WeakPolarHBondContact O-CB 3.16Å; H757-S761 PolarHBondContact O-N 3.42Å; H757-S761 PolarHBondContact O-OG 2.77Å
758	H	49.3	Very low	48.7	Very low	111 Å²	111	113.3 Å²	113.3	51%	0.514	57%	0.573	S	S	.	*	H	α-helix	trans	-70.7	-23.8	179.6	-80.5	-79	0	0	0	114.9	H754 S761	H754-H758 AromaticContact CE1-NE2 3.57Å; H754-H758 AromaticContact ND1-CD2 3.35Å; H754-H758 PolarHBondContact ND1-CD2 3.24Å; H754-H758 VanDerWaalsContact ND1-CD2 3.35Å; H754-H758 AromaticContact ND1-NE2 3.29Å; H754-H758 PolarHBondContact ND1-NE2 2.8Å; H754-H758 PolarHBondContact O-CD2 3.26Å; H754-H758 VanDerWaalsContact O-CD2 3.28Å; H754-H758 PolarHBondContact O-N 2.93Å; H758-S761 PolarHBondContact O-OG 2.92Å
759	H	46.2	Very low	47.4	Very low	101 Å²	101	119 Å²	119	47%	0.468	60%	0.597	S	S	.	*	H	α-helix	trans	-98.2	-22.1	179.6	-78.1	-70.4	0	0	0	114.5	Y755 H757 I763	Y755-H759 AromaticContact CD1-CD2 3.85Å; Y755-H759 AromaticContact CD2-CD2 3.62Å; Y755-H759 AromaticContact CD2-NE2 3.89Å; Y755-H759 AromaticContact CE1-CD2 3.59Å; Y755-H759 AromaticContact CE2-CD2 3.33Å; Y755-H759 WeakPolarHBondContact CE2-CD2 3.28Å; Y755-H759 AromaticContact CE2-NE2 3.29Å; Y755-H759 VanDerWaalsContact CE2-NE2 3.29Å; Y755-H759 WeakPolarHBondContact CE2-NE2 3.48Å; Y755-H759 AromaticContact CG-CD2 3.86Å; Y755-H759 AromaticContact CZ-CD2 3.3Å; Y755-H759 AromaticContact CZ-NE2 3.5Å; Y755-H759 WeakPolarHBondContact O-CB 3.39Å; Y755-H759 PolarHBondContact O-CD2 3.04Å; Y755-H759 PolarHBondContact O-N 3.32Å; H757-H759 PolarHBondContact O-N 2.72Å; H759-I763 VanDerWaalsContact O-CD1 3.22Å; H759-I763 WeakPolarHBondContact O-CD1 3.21Å; H759-I763 WeakPolarHBondContact O-CG1 3.48Å
760	H	48.5	Very low	46	Very low	92 Å²	92	120.8 Å²	120.8	43%	0.426	61%	0.607	S	S	.	*	H	α-helix	trans	-87.7	-19.6	171.6	-88.7	-77.8	0	0	0	114.1	Y756 H762 I763	Y756-H760 AromaticContact CD1-CD2 3.88Å; Y756-H760 AromaticContact CE1-CD2 3.64Å; Y756-H760 AromaticContact CE2-CD2 3.96Å; Y756-H760 AromaticContact CE2-NE2 3.95Å; Y756-H760 AromaticContact CZ-CD2 3.67Å; Y756-H760 AromaticContact CZ-NE2 3.65Å; Y756-H760 WeakPolarHBondContact O-CB 3.45Å; Y756-H760 PolarHBondContact O-N 3.46Å; H760-H762 PolarHBondContact O-N 3.21Å; H760-H762 VanDerWaalsContact O-N 3.11Å; H760-I763 PolarHBondContact O-N 2.93Å
761	S	40.3	Very low	44.9	Very low	72 Å²	72	126.3 Å²	126.3	50%	0.503	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-11.8	176.2	59	0	0	0	0	114.9	H757 H758	H757-S761 WeakPolarHBondContact O-CB 3.16Å; H757-S761 PolarHBondContact O-N 3.42Å; H757-S761 PolarHBondContact O-OG 2.77Å; H758-S761 PolarHBondContact O-OG 2.92Å
762	H	40.6	Very low	43.6	Very low	158 Å²	158	129 Å²	129	73%	0.731	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	20	-175.6	-64.2	-64.8	0	0	0	114.1	H760	H760-H762 PolarHBondContact O-N 3.21Å; H760-H762 VanDerWaalsContact O-N 3.11Å
763	I	37.9	Very low	42.1	Very low	107 Å²	107	128.9 Å²	128.9	55%	0.549	65%	0.653	S	S	.	*	S	Bend	trans	-113.3	-16.1	-176.4	-67.6	179.6	0	0	0	113.4	H759 H760	H759-I763 VanDerWaalsContact O-CD1 3.22Å; H759-I763 WeakPolarHBondContact O-CD1 3.21Å; H759-I763 WeakPolarHBondContact O-CG1 3.48Å; H760-I763 PolarHBondContact O-N 2.93Å
764	N	34.7	Very low	41	Very low	146 Å²	146	125 Å²	125	78%	0.781	65%	0.652	S	S	*	*	S	Bend	trans	-104.1	41.6	-176.8	-70.8	7.1	0	0	0	113.5
765	S	31.1	Very low	39.8	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	67%	0.671	S	S	*	*			trans	-148.7	82.2	175.5	-55.4	0	0	0	0	111.6
766	S	37.1	Very low	38.9	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	68%	0.679	S	S	*	*			trans	-155.8	95.4	168.5	64.1	0	0	0	0	111.8
767	D	37.2	Very low	38	Very low	153 Å²	153	126.5 Å²	126.5	82%	0.818	68%	0.682	S	S	*	*			trans	28.7	107.5	149.5	-50	-23.6	0	0	0	119
768	G	28.7	Very low	37.4	Very low	86 Å²	86	126.9 Å²	126.9	89%	0.887	69%	0.688	S	S	*	*			trans	-77.9	117	158.9	0	0	0	0	0	110.9
769	L	36.6	Very low	36.7	Very low	156 Å²	156	126.8 Å²	126.8	82%	0.817	69%	0.691	S	S	*	*			trans	-138.6	136.9	177.3	-120.8	155	0	0	0	111.6
770	H	33.1	Very low	36.2	Very low	157 Å²	157	132.8 Å²	132.8	73%	0.727	71%	0.71	S	S	*	*			trans	-59	137.1	-166.5	-64.8	-116.8	0	0	0	115.1
771	H	37	Very low	35.7	Very low	167 Å²	167	134.3 Å²	134.3	77%	0.773	73%	0.728	S	S	*	*				174.9	174.6	96.9	-96.3	-50.8	0	0	0	115.7
772	H	35.4	Very low	35.5	Very low	146 Å²	146	142.2 Å²	142.2	68%	0.676	75%	0.747	S	S	*	*			trans	-61.4	162	-167.4	-69.5	-83.9	0	0	0	118.8
773	H	33	Very low	35.4	Very low	167 Å²	167	141.6 Å²	141.6	77%	0.773	74%	0.744	S	S	*	*			trans	15	140	145.8	-43.6	-61	0	0	0	118.8
774	S	35.1	Very low	35.3	Very low	95 Å²	95	144.6 Å²	144.6	66%	0.664	76%	0.755	S	S	*	*				-172.1	143.3	50.6	-165	0	0	0	0	114.9
775	T	34.4	Very low	35.2	Very low	111 Å²	111	147.5 Å²	147.5	68%	0.681	76%	0.755	S	S	*	*			trans	43.5	123.1	143.7	57	0	0	0	0	123
776	H	36.1	Very low	35.5	Very low	170 Å²	170	149.6 Å²	149.6	79%	0.787	75%	0.752	S	S	*	*			trans	80.8	122.9	132.4	-88.1	-62.6	0	0	0	123.4
777	N	35.7	Very low	35.2	Very low	121 Å²	121	147.7 Å²	147.7	65%	0.647	75%	0.749	S	S	*	*			trans	74.7	98	132.2	-87.1	51.6	0	0	0	122.8
778	D	36.8	Very low	35.1	Very low	128 Å²	128	149.6 Å²	149.6	68%	0.684	75%	0.753	S	S	*	*				99.4	141	100.4	-112.9	-11.8	0	0	0	122.8
779	N	35	Very low	35.3	Very low	110 Å²	110	149.8 Å²	149.8	59%	0.588	74%	0.74	S	S	*	*			trans	69.3	84.5	147.4	-79.6	-57.9	0	0	0	123
780	R	34.9	Very low	35.1	Very low	227 Å²	227	152.6 Å²	152.6	86%	0.857	74%	0.74	S	S	*	*				77.1	133.1	122	-73.5	-179.3	170.8	-155.9	-1.9	121
781	P	38.6	Very low	35.1	Very low	124 Å²	124	151.9 Å²	151.9	81%	0.805	74%	0.737	S	S	*	*			trans	-95.7	168.1	179.9	39	-37.3	0	0	0	114.8
782	R	37.2	Very low	34.9	Very low	237 Å²	237	150.4 Å²	150.4	89%	0.894	73%	0.73	S	S	*	*			trans	-142.6	113	161	-89.9	-168.3	163.2	176.9	-3.7	114.1
783	H	37.9	Very low	34.8	Very low	146 Å²	146	150 Å²	150	68%	0.676	73%	0.728	S	S	*	*			trans	41.9	121.3	135.1	-71.7	-84.4	0	0	0	122.7
784	H	36.2	Very low	34.8	Very low	169 Å²	169	149.1 Å²	149.1	78%	0.782	72%	0.724	S	S	*	*			trans	70.7	159.1	139.6	-58.3	-42.7	0	0	0	117.6
785	R	32.9	Very low	34.6	Very low	207 Å²	207	153.4 Å²	153.4	78%	0.781	73%	0.726	S	S	*	*			cis	-154.1	164.5	18.2	-149	177.3	-174.4	167.3	6.1	113.1
786	H	36.3	Very low	34.8	Very low	159 Å²	159	154.6 Å²	154.6	74%	0.736	72%	0.723	S	S	*	*			trans	6.5	131.7	168.7	-55.2	-45.5	0	0	0	120.7
787	G	31	Very low	35	Very low	65 Å²	65	151 Å²	151	67%	0.67	72%	0.717	S	S	*	*			trans	-86.8	-161.7	172.5	0	0	0	0	0	114.8
788	H	35.7	Very low	35.2	Very low	194 Å²	194	151.4 Å²	151.4	90%	0.898	72%	0.715	S	S	*	*			trans	-170.3	132.7	152.9	-101.7	-65.5	0	0	0	112.1
789	S	33.3	Very low	35.3	Very low	90 Å²	90	154.4 Å²	154.4	63%	0.629	73%	0.725	S	S	*	*			trans	54.6	108.9	133.3	-157.3	0	0	0	0	121.7
790	R	30.9	Very low	35.4	Very low	214 Å²	214	156.1 Å²	156.1	81%	0.808	73%	0.729	S	S	*	*				76.6	137	129.6	-75.5	-179.2	178.7	-176	0.1	122.8
791	H	33.8	Very low	35.7	Very low	142 Å²	142	150 Å²	150	66%	0.657	73%	0.727	S	S	*	*			trans	90	126.4	137.5	-79.7	-52.6	0	0	0	122.8
792	H	33	Very low	35.5	Very low	136 Å²	136	150.7 Å²	150.7	63%	0.63	72%	0.719	S	S	*	*			trans	80.5	110.5	139.7	-73.6	-59.3	0	0	0	122.7
793	H	32	Very low	35.4	Very low	139 Å²	139	147 Å²	147	64%	0.644	72%	0.716	S	S	*	*				77.1	135.8	127.4	-71.1	-44.1	0	0	0	122.6
794	H	33.4	Very low	35.2	Very low	147 Å²	147	146.2 Å²	146.2	68%	0.681	71%	0.713	S	S	*	*			trans	73.8	147.3	145.3	-68.7	-14.5	0	0	0	117
795	R	31.1	Very low	35.1	Very low	186 Å²	186	144.5 Å²	144.5	70%	0.702	71%	0.71	S	S	*	*			cis	-161	170.4	-6.2	-121.9	175.3	157.3	168.1	-2.3	110.8
796	H	39.3	Very low	35.2	Very low	135 Å²	135	145.1 Å²	145.1	63%	0.625	71%	0.712	S	S	*	*			trans	10.9	151.1	153.7	-53.2	-49.7	0	0	0	120.8
797	S	39.6	Very low	35.2	Very low	96 Å²	96	144.9 Å²	144.9	67%	0.671	71%	0.711	S	S	*	*			cis	-147.5	134.3	37.1	-110	0	0	0	0	112.1
798	Q	39.6	Very low	35.2	Very low	129 Å²	129	148.2 Å²	148.2	60%	0.603	71%	0.713	S	S	*	*				56.8	120.8	88.6	-65.5	-171.6	-28.9	0	0	115.9
799	H	39.3	Very low	35.2	Very low	191 Å²	191	147.9 Å²	147.9	88%	0.884	71%	0.712	S	S	*	*				-146.9	160.2	103.2	-119.8	-91.6	0	0	0	111.5
800	H	38.2	Very low	35.2	Very low	146 Å²	146	152.6 Å²	152.6	68%	0.676	72%	0.721	S	S	*	*			trans	-114.1	150.7	-167.9	-94.5	-98.5	0	0	0	113.8
801	A	39.8	Very low	35.5	Very low	99 Å²	99	151.3 Å²	151.3	82%	0.818	72%	0.724	S	S	*	*			trans	-147.6	153.5	132.9	0	0	0	0	0	109
802	H	35.1	Very low	35.4	Very low	137 Å²	137	149.4 Å²	149.4	63%	0.634	73%	0.726	S	S	*	*			trans	-162	176.9	-169.1	-144.4	-83.1	0	0	0	111.1	Q804	H802-Q804 PolarHBondContact CE1-OE1 2.67Å; H802-Q804 PolarHBondContact ND1-OE1 3.47Å
803	L	35.2	Very low	35.6	Very low	160 Å²	160	151.7 Å²	151.7	84%	0.838	74%	0.737	S	S	*	*			trans	101.1	113.4	172.1	-57.7	163.1	0	0	0	114.1
804	Q	33.9	Very low	35.5	Very low	129 Å²	129	152.9 Å²	152.9	60%	0.603	74%	0.743	S	S	*	*			cis	101.6	125.9	7.3	-153.5	178.6	7.2	0	0	116.7	H802	H802-Q804 PolarHBondContact CE1-OE1 2.67Å; H802-Q804 PolarHBondContact ND1-OE1 3.47Å
805	D	33.6	Very low	35.6	Very low	134 Å²	134	153 Å²	153	72%	0.717	74%	0.743	S	S	*	*			trans	62.1	145.9	171.5	-48.2	-29	0	0	0	118.2
806	R	34.4	Very low	35.7	Very low	219 Å²	219	151.5 Å²	151.5	83%	0.826	74%	0.744	S	S	*	*			cis	-157.2	149	36.4	-80.2	-176.8	159.6	173.6	-5.8	116.2
807	H	36.9	Very low	35.2	Very low	155 Å²	155	156.1 Å²	156.1	72%	0.718	76%	0.756	S	S	*	*			trans	35.6	126.5	140.5	-62.2	-61.2	0	0	0	124.6
808	N	30.6	Very low	34.8	Very low	134 Å²	134	156.7 Å²	156.7	72%	0.717	76%	0.76	S	S	*	*				38.7	124	127.3	-55.7	1.1	0	0	0	120.9
809	H	37.1	Very low	34.2	Very low	187 Å²	187	155.7 Å²	155.7	87%	0.866	77%	0.767	S	S	*	*				-164.6	150	101.8	-112.6	-83.7	0	0	0	112.9
810	K	32.3	Very low	33.8	Very low	189 Å²	189	155.1 Å²	155.1	82%	0.822	77%	0.767	S	S	*	*			trans	-77.7	150	167.8	-63.2	179.1	175.8	-176.1	0	110.4
811	H	38.1	Very low	33.3	Very low	188 Å²	188	156.9 Å²	156.9	87%	0.87	78%	0.775	S	S	*	*			trans	-167.4	145.6	132.9	-101	-69.2	0	0	0	110.7
812	S	30.2	Very low	32.9	Very low	102 Å²	102	161.7 Å²	161.7	71%	0.713	78%	0.778	S	S	*	*			trans	-107	152.1	175.2	55	0	0	0	0	111.1
813	H	38.1	Very low	32.8	Very low	183 Å²	183	163.5 Å²	163.5	85%	0.847	79%	0.787	S	S	*	*			trans	-154.4	138	154.9	-96.4	-69.8	0	0	0	111.2
814	Q	30.7	Very low	32.8	Very low	164 Å²	164	161.2 Å²	161.2	77%	0.766	78%	0.782	S	S	*	*			trans	-80.2	160.7	164.3	-62.7	162.8	-36.5	0	0	109.7
815	H	34.4	Very low	32.7	Very low	150 Å²	150	160.5 Å²	160.5	69%	0.694	79%	0.791	S	S	*	*				167.4	142.3	123.3	-90.9	-70.5	0	0	0	114.5
816	H	33.8	Very low	32.5	Very low	155 Å²	155	158.5 Å²	158.5	72%	0.718	79%	0.787	S	S	*	*			trans	46.5	99.4	150.1	-60.9	-56.8	0	0	0	123.5
817	R	27.4	Very low	32.5	Very low	232 Å²	232	154.7 Å²	154.7	88%	0.875	78%	0.784	S	S	*	*				31.4	102.9	102.2	-168.4	-171.4	-165.8	-176.6	7.1	118.7
818	S	31.9	Very low	32.6	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	79%	0.786	S	S	*	*			trans	-162.7	112.9	138.9	-168.4	0	0	0	0	106.8
819	S	27.5	Very low	32.5	Very low	107 Å²	107	153.9 Å²	153.9	75%	0.748	79%	0.789	S	S	*	*				53.4	98.2	80.3	-64.7	0	0	0	0	113
820	M	31.5	Very low	32.5	Very low	179 Å²	179	153.8 Å²	153.8	88%	0.882	79%	0.789	S	S	*	*			trans	-154	124.2	150.7	-151.3	163.8	-171.5	0	0	108.5
821	E	27	Very low	32.6	Very low	183 Å²	183	151.5 Å²	151.5	86%	0.855	79%	0.785	S	S	*	*			trans	-90.3	149.3	-176.7	-62.2	149.6	145.5	0	0	110.4
822	F	32.1	Very low	32.4	Very low	201 Å²	201	150.1 Å²	150.1	88%	0.882	78%	0.783	S	S	*	*			trans	-148.2	106.7	159.6	-108.4	-80.6	0	0	0	109.6
823	E	31.3	Very low	32.6	Very low	175 Å²	175	153.2 Å²	153.2	82%	0.818	79%	0.786	S	S	*	*			trans	-84.1	163.5	171.8	-88.1	-75.9	114.4	0	0	110.9
824	P	35.6	Very low	32.5	Very low	112 Å²	112	152.9 Å²	152.9	73%	0.727	79%	0.785	S	S	*	*			trans	-93.8	177.4	-152.2	37	-38.6	0	0	0	115.6
825	S	32	Very low	32.7	Very low	113 Å²	113	153.9 Å²	153.9	79%	0.79	79%	0.787	S	S	*	*			trans	-128.1	144.6	162.1	60.5	0	0	0	0	110.9
826	S	30.7	Very low	32.6	Very low	92 Å²	92	153.2 Å²	153.2	64%	0.643	79%	0.787	S	S	*	*			trans	-58.1	169.2	174	55.1	0	0	0	0	113
827	D	33.9	Very low	32.7	Very low	140 Å²	140	151.6 Å²	151.6	75%	0.749	79%	0.79	S	S	*	*			cis	-160.1	175	41.4	-87.5	-73.6	0	0	0	113.5
828	V	37.9	Very low	33.1	Very low	127 Å²	127	149.1 Å²	149.1	77%	0.77	78%	0.781	S	S	*	*			trans	77.6	115.7	164.8	-158	0	0	0	0	118
829	N	29.7	Very low	33.5	Very low	144 Å²	144	149.9 Å²	149.9	77%	0.77	78%	0.776	S	S	*	*			trans	-99.9	158.1	157	-72.3	2.8	0	0	0	109.2
830	E	35.9	Very low	34.3	Very low	185 Å²	185	148.9 Å²	148.9	86%	0.864	76%	0.762	S	S	*	*			trans	-143.2	149.5	151.2	-120	157.6	-155.4	0	0	108.8
831	D	34.5	Very low	34.8	Very low	141 Å²	141	143.9 Å²	143.9	75%	0.754	74%	0.743	S	S	*	*			trans	-103.4	138.6	-155.9	-61	-65.7	0	0	0	114.4
832	I	34.6	Very low	36.2	Very low	159 Å²	159	138.1 Å²	138.1	82%	0.815	72%	0.723	S	S	*	*			trans	-132.2	88.4	163.6	-55.7	-178.6	0	0	0	109.2	Q834	I832-Q834 PolarHBondContact O-N 2.85Å
833	E	34.6	Very low	37.3	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	70%	0.704	S	S	*	*			trans	-84.2	98.4	170.3	-81	-158.8	138.2	0	0	111.2	K835	E833-K835 PolarHBondContact O-N 3.11Å
834	Q	34.7	Very low	38.2	Very low	176 Å²	176	127.4 Å²	127.4	82%	0.822	69%	0.685	S	S	*	*			trans	-71.5	115.6	164.1	-74.4	-175.5	-16.7	0	0	110.5	I832 I836	I832-Q834 PolarHBondContact O-N 2.85Å; Q834-I836 PolarHBondContact O-N 3.47Å
835	K	34.8	Very low	39.2	Very low	186 Å²	186	129.5 Å²	129.5	81%	0.809	68%	0.679	S	S	*	*			trans	-81	97.9	-176.1	-76.2	173.2	180	158.8	0	112.3	E833 P837	E833-K835 PolarHBondContact O-N 3.11Å; K835-P837 WeakPolarHBondContact O-CD 3.5Å
836	I	33.5	Very low	40.5	Very low	135 Å²	135	127.6 Å²	127.6	69%	0.692	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.1	166.4	-56.6	174.3	0	0	0	109.7	Q834 R838	Q834-I836 PolarHBondContact O-N 3.47Å; I836-R838 PolarHBondContact O-N 2.91Å
837	P	34.7	Very low	41.6	Very low	121 Å²	121	125 Å²	125	79%	0.786	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-65	116.6	174.5	-20.8	33.7	0	0	0	111.2	K835	K835-P837 WeakPolarHBondContact O-CD 3.5Å
838	R	36.6	Very low	42.8	Very low	180 Å²	180	122.8 Å²	122.8	68%	0.679	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-91.9	118.9	177.8	-75.5	174.4	160.1	170.9	-11.2	110.4	S37 I836 D840	S37-R838 VanDerWaalsContact CB-NH2 3.28Å; S37-R838 PolarHBondContact O-NH2 3.26Å; S37-R838 PolarHBondContact OG-NH2 3.03Å; I836-R838 PolarHBondContact O-N 2.91Å; R838-D840 PolarHBondContact O-N 2.94Å
839	L	40.5	Very low	44.2	Very low	125 Å²	125	120.6 Å²	120.6	65%	0.654	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.2	132.9	165.1	-86.1	89.5	0	0	0	110	P841	L839-P841 WeakPolarHBondContact O-CD 3.44Å
840	D	44.3	Very low	45.9	Very low	85 Å²	85	116.8 Å²	116.8	46%	0.455	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-66.5	125.1	176.4	174.5	9.1	0	0	0	110.6	R838 S842 V843 V844	R838-D840 PolarHBondContact O-N 2.94Å; D840-S842 VanDerWaalsContact CG-OG 3.25Å; D840-S842 PolarHBondContact O-N 3.23Å; D840-S842 WeakPolarHBondContact OD1-CB 3.32Å; D840-S842 PolarHBondContact OD1-N 2.97Å; D840-S842 VanDerWaalsContact OD2-CB 3.25Å; D840-S842 WeakPolarHBondContact OD2-CB 3.41Å; D840-S842 PolarHBondContact OD2-OG 2.78Å; D840-V843 HydrophobicContact CB-CG2 4.14Å; D840-V843 WeakPolarHBondContact O-CB 3.29Å; D840-V843 PolarHBondContact O-N 2.87Å; D840-V844 PolarHBondContact O-N 3.09Å
841	P	42.9	Very low	47	Very low	74 Å²	74	111.8 Å²	111.8	48%	0.481	58%	0.584	S	S	.	*	H	α-helix	trans	-54.6	-19	172.2	-27.1	36.1	0	0	0	115	L839 R845	L839-P841 WeakPolarHBondContact O-CD 3.44Å; P841-R845 VanDerWaalsContact O-CG 3.3Å; P841-R845 WeakPolarHBondContact O-CG 3.18Å; P841-R845 PolarHBondContact O-N 3.37Å; P841-R845 VanDerWaalsContact O-N 3.12Å
842	S	55.1	Low	48.6	Very low	62 Å²	62	113 Å²	113	43%	0.434	58%	0.578	S	S	.	*	H	α-helix	trans	-66.9	-39.3	170.7	94.5	0	0	0	0	112.2	D840 R845 S846	D840-S842 VanDerWaalsContact CG-OG 3.25Å; D840-S842 PolarHBondContact O-N 3.23Å; D840-S842 WeakPolarHBondContact OD1-CB 3.32Å; D840-S842 PolarHBondContact OD1-N 2.97Å; D840-S842 VanDerWaalsContact OD2-CB 3.25Å; D840-S842 WeakPolarHBondContact OD2-CB 3.41Å; D840-S842 PolarHBondContact OD2-OG 2.78Å; S842-R845 PolarHBondContact O-N 3.16Å; S842-S846 VanDerWaalsContact O-CB 3.3Å; S842-S846 WeakPolarHBondContact O-CB 3.16Å; S842-S846 PolarHBondContact O-N 3.02Å
843	V	55.2	Low	50.4	Low	82 Å²	82	109.4 Å²	109.4	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-67.7	-45.8	178	178.6	0	0	0	0	110.1	D840 R845 S846 A847	D840-V843 HydrophobicContact CB-CG2 4.14Å; D840-V843 WeakPolarHBondContact O-CB 3.29Å; D840-V843 PolarHBondContact O-N 2.87Å; V843-R845 PolarHBondContact O-N 3.32Å; V843-S846 WeakPolarHBondContact O-CB 3.24Å; V843-S846 PolarHBondContact O-N 2.71Å; V843-S846 VanDerWaalsContact O-N 3.14Å; V843-A847 PolarHBondContact O-N 2.93Å
844	V	51.3	Low	52.2	Low	69 Å²	69	107.3 Å²	107.3	42%	0.418	55%	0.554	S	S	.	*	H	α-helix	trans	-61.8	-41.9	177.6	-176.7	0	0	0	0	111.4	D840 A847 L848	D840-V844 PolarHBondContact O-N 3.09Å; V844-A847 PolarHBondContact O-N 3.12Å; V844-L848 HydrophobicContact CG1-CD1 4.21Å; V844-L848 WeakPolarHBondContact O-CG 3.2Å; V844-L848 PolarHBondContact O-N 3.46Å
845	R	55.7	Low	53.9	Low	156 Å²	156	107.8 Å²	107.8	59%	0.589	55%	0.548	S	S	*	.	H	α-helix	trans	-64.9	-41.7	172.9	-72	179.3	-160.6	129.9	3.7	112.3	P841 S842 V843 A847 L848 D849	P841-R845 VanDerWaalsContact O-CG 3.3Å; P841-R845 WeakPolarHBondContact O-CG 3.18Å; P841-R845 PolarHBondContact O-N 3.37Å; P841-R845 VanDerWaalsContact O-N 3.12Å; S842-R845 PolarHBondContact O-N 3.16Å; V843-R845 PolarHBondContact O-N 3.32Å; R845-A847 VanDerWaalsContact C-N 3.33Å; R845-A847 PolarHBondContact O-N 3.4Å; R845-L848 PolarHBondContact O-N 3.34Å; R845-D849 PolarHBondContact O-N 2.95Å
846	S	59.9	Low	55.8	Low	73 Å²	73	102.7 Å²	102.7	51%	0.51	53%	0.527	S	S	.	.	H	α-helix	trans	-60.9	-41.1	177.3	-169.7	0	0	0	0	111.9	S842 V843 S850	S842-S846 VanDerWaalsContact O-CB 3.3Å; S842-S846 WeakPolarHBondContact O-CB 3.16Å; S842-S846 PolarHBondContact O-N 3.02Å; V843-S846 WeakPolarHBondContact O-CB 3.24Å; V843-S846 PolarHBondContact O-N 2.71Å; V843-S846 VanDerWaalsContact O-N 3.14Å; S846-S850 VanDerWaalsContact O-CB 3.24Å; S846-S850 WeakPolarHBondContact O-CB 3.35Å; S846-S850 PolarHBondContact O-N 2.86Å; S846-S850 PolarHBondContact O-OG 2.84Å
847	A	52.9	Low	57.9	Low	37 Å²	37	100.3 Å²	100.3	31%	0.306	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-49.5	172.8	0	0	0	0	0	111.7	V843 V844 R845 D849 S850 I851	V843-A847 PolarHBondContact O-N 2.93Å; V844-A847 PolarHBondContact O-N 3.12Å; R845-A847 VanDerWaalsContact C-N 3.33Å; R845-A847 PolarHBondContact O-N 3.4Å; A847-D849 PolarHBondContact O-N 3.31Å; A847-S850 WeakPolarHBondContact O-CB 3.36Å; A847-S850 PolarHBondContact O-N 2.97Å; A847-I851 VanDerWaalsContact O-CG1 3.31Å; A847-I851 WeakPolarHBondContact O-CG1 3.43Å; A847-I851 PolarHBondContact O-N 2.84Å
848	L	58.6	Low	59.7	Low	94 Å²	94	96.3 Å²	96.3	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-40.4	179.1	-72.6	170.9	0	0	0	113.3	V844 R845 I851 R852	V844-L848 HydrophobicContact CG1-CD1 4.21Å; V844-L848 WeakPolarHBondContact O-CG 3.2Å; V844-L848 PolarHBondContact O-N 3.46Å; R845-L848 PolarHBondContact O-N 3.34Å; L848-I851 PolarHBondContact O-N 2.96Å; L848-R852 WeakPolarHBondContact O-CB 3.43Å; L848-R852 VanDerWaalsContact O-CG 3.31Å; L848-R852 WeakPolarHBondContact O-CG 3.34Å; L848-R852 PolarHBondContact O-N 2.4Å
849	D	68	Low	61.6	Low	81 Å²	81	96.1 Å²	96.1	43%	0.433	49%	0.487	S	S	.	.	H	α-helix	trans	-75.4	-27.4	176	-76.6	-25.6	0	0	0	112.5	R845 A847 R852 T853	R845-D849 PolarHBondContact O-N 2.95Å; A847-D849 PolarHBondContact O-N 3.31Å; D849-R852 VanDerWaalsContact OD1-CD 3.23Å; D849-R852 WeakPolarHBondContact OD1-CD 3.26Å; D849-R852 IonicContact OD1-CZ 2.38Å; D849-R852 IonicContact OD1-NE 3.03Å; D849-R852 IonicContact OD1-NH1 3.63Å; D849-R852 PolarHBondContact OD1-NH1 2.92Å; D849-T853 WeakPolarHBondContact O-CB 3.47Å; D849-T853 WeakPolarHBondContact O-CG2 3.42Å; D849-T853 PolarHBondContact O-N 2.97Å; D849-T853 PolarHBondContact O-OG1 3.02Å
850	S	66.1	Low	63.4	Low	64 Å²	64	95 Å²	95	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-46.3	167	-62.6	0	0	0	0	111.3	S846 A847 R852 T853 E854	S846-S850 VanDerWaalsContact O-CB 3.24Å; S846-S850 WeakPolarHBondContact O-CB 3.35Å; S846-S850 PolarHBondContact O-N 2.86Å; S846-S850 PolarHBondContact O-OG 2.84Å; A847-S850 WeakPolarHBondContact O-CB 3.36Å; A847-S850 PolarHBondContact O-N 2.97Å; S850-R852 VanDerWaalsContact C-N 3.35Å; S850-R852 PolarHBondContact O-N 3.36Å; S850-T853 WeakPolarHBondContact CA-OG1 3.1Å; S850-T853 PolarHBondContact O-N 2.93Å; S850-T853 PolarHBondContact O-OG1 2.9Å; S850-E854 PolarHBondContact O-N 3.39Å
851	I	58.8	Low	64.9	Low	80 Å²	80	97.2 Å²	97.2	41%	0.41	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-40.1	176	-68.2	163.1	0	0	0	111	A847 L848 R855	A847-I851 VanDerWaalsContact O-CG1 3.31Å; A847-I851 WeakPolarHBondContact O-CG1 3.43Å; A847-I851 PolarHBondContact O-N 2.84Å; L848-I851 PolarHBondContact O-N 2.96Å; I851-R855 HydrophobicContact CG2-CG 4.45Å; I851-R855 WeakPolarHBondContact O-CB 3.37Å; I851-R855 VanDerWaalsContact O-CG 3.3Å; I851-R855 WeakPolarHBondContact O-CG 3.42Å; I851-R855 PolarHBondContact O-N 3.37Å
852	R	67.6	Low	66.3	Low	167 Å²	167	99.9 Å²	99.9	63%	0.63	48%	0.483	S	S	*	.	H	α-helix	trans	-62.2	-47.7	173.1	-77.5	165.8	168.3	173.4	-1.1	112	L848 D849 S850 R855 E856	L848-R852 WeakPolarHBondContact O-CB 3.43Å; L848-R852 VanDerWaalsContact O-CG 3.31Å; L848-R852 WeakPolarHBondContact O-CG 3.34Å; L848-R852 PolarHBondContact O-N 2.4Å; D849-R852 VanDerWaalsContact OD1-CD 3.23Å; D849-R852 WeakPolarHBondContact OD1-CD 3.26Å; D849-R852 IonicContact OD1-CZ 2.38Å; D849-R852 IonicContact OD1-NE 3.03Å; D849-R852 IonicContact OD1-NH1 3.63Å; D849-R852 PolarHBondContact OD1-NH1 2.92Å; S850-R852 VanDerWaalsContact C-N 3.35Å; S850-R852 PolarHBondContact O-N 3.36Å; R852-R855 PolarHBondContact O-N 3.15Å; R852-E856 WeakPolarHBondContact O-CB 3.22Å; R852-E856 PolarHBondContact O-N 3.17Å
853	T	73	Confident	67.2	Low	84 Å²	84	102.2 Å²	102.2	52%	0.515	49%	0.49	S	S	.	.	H	α-helix	trans	-68.5	-34.1	-180	49.7	0	0	0	0	112.3	D849 S850 N857	D849-T853 WeakPolarHBondContact O-CB 3.47Å; D849-T853 WeakPolarHBondContact O-CG2 3.42Å; D849-T853 PolarHBondContact O-N 2.97Å; D849-T853 PolarHBondContact O-OG1 3.02Å; S850-T853 WeakPolarHBondContact CA-OG1 3.1Å; S850-T853 PolarHBondContact O-N 2.93Å; S850-T853 PolarHBondContact O-OG1 2.9Å; T853-N857 WeakPolarHBondContact O-CB 3.25Å; T853-N857 PolarHBondContact O-N 3.22Å; T853-N857 PolarHBondContact O-ND2 3.44Å
854	E	71.5	Confident	67.9	Low	122 Å²	122	107.7 Å²	107.7	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-68	-48	170.8	179.3	143.1	-130.9	0	0	112.2	S850 E856 N857 D858	S850-E854 PolarHBondContact O-N 3.39Å; E854-E856 VanDerWaalsContact C-N 3.25Å; E854-E856 PolarHBondContact O-N 2.97Å; E854-N857 CarbonylContact O-C 3.54Å; E854-N857 PolarHBondContact O-N 3.25Å; E854-N857 VanDerWaalsContact O-N 3.11Å; E854-D858 PolarHBondContact O-N 2.99Å
855	R	70.1	Confident	68.7	Low	187 Å²	187	112.6 Å²	112.6	71%	0.706	51%	0.513	S	S	*	.	H	α-helix	trans	-56.4	-40.7	176.2	-77	179.3	175.2	-167	-0.6	111.7	I851 R852 D858 R859	I851-R855 HydrophobicContact CG2-CG 4.45Å; I851-R855 WeakPolarHBondContact O-CB 3.37Å; I851-R855 VanDerWaalsContact O-CG 3.3Å; I851-R855 WeakPolarHBondContact O-CG 3.42Å; I851-R855 PolarHBondContact O-N 3.37Å; R852-R855 PolarHBondContact O-N 3.15Å; R855-D858 PolarHBondContact O-N 3.3Å; R855-R859 WeakPolarHBondContact O-CB 3.39Å; R855-R859 PolarHBondContact O-N 3.43Å
856	E	76.6	Confident	69.2	Low	79 Å²	79	113.2 Å²	113.2	37%	0.369	52%	0.52	S	S	.	.	H	α-helix	trans	-73	-37.4	176.1	174.6	50.8	-158.9	0	0	112.9	R852 E854 D858 R859 K860	R852-E856 WeakPolarHBondContact O-CB 3.22Å; R852-E856 PolarHBondContact O-N 3.17Å; E854-E856 VanDerWaalsContact C-N 3.25Å; E854-E856 PolarHBondContact O-N 2.97Å; E856-D858 VanDerWaalsContact C-N 3.3Å; E856-D858 PolarHBondContact O-N 3.04Å; E856-R859 WeakPolarHBondContact O-CB 3.46Å; E856-R859 PolarHBondContact O-N 2.62Å; E856-K860 HydrophobicContact CG-CD 4.46Å; E856-K860 VanDerWaalsContact CG-NZ 3.34Å; E856-K860 WeakPolarHBondContact O-CB 3.46Å; E856-K860 WeakPolarHBondContact O-CG 3.49Å; E856-K860 PolarHBondContact O-N 3.07Å; E856-K860 WeakPolarHBondContact OE1-CE 3.49Å; E856-K860 IonicContact OE1-NZ 2.66Å; E856-K860 PolarHBondContact OE1-NZ 2.95Å
857	N	77.7	Confident	69.2	Low	85 Å²	85	113 Å²	113	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-63.1	-36.2	171.4	-81.7	-37.6	0	0	0	111.9	T853 E854 K860 R861	T853-N857 WeakPolarHBondContact O-CB 3.25Å; T853-N857 PolarHBondContact O-N 3.22Å; T853-N857 PolarHBondContact O-ND2 3.44Å; E854-N857 CarbonylContact O-C 3.54Å; E854-N857 PolarHBondContact O-N 3.25Å; E854-N857 VanDerWaalsContact O-N 3.11Å; N857-K860 CarbonylContact O-C 3.56Å; N857-K860 WeakPolarHBondContact O-CB 3.4Å; N857-K860 PolarHBondContact O-N 3.35Å; N857-R861 WeakPolarHBondContact O-CG 3.4Å; N857-R861 PolarHBondContact O-N 3.04Å
858	D	72.4	Confident	69.4	Low	37 Å²	37	118.5 Å²	118.5	20%	0.198	54%	0.536	C	S	.	.	H	α-helix	trans	-78	-31.3	176.6	-155.2	64.6	0	0	0	112.7	E854 R855 E856 K860 R861 K862	E854-D858 PolarHBondContact O-N 2.99Å; R855-D858 PolarHBondContact O-N 3.3Å; E856-D858 VanDerWaalsContact C-N 3.3Å; E856-D858 PolarHBondContact O-N 3.04Å; D858-K860 VanDerWaalsContact C-N 3.33Å; D858-K860 PolarHBondContact O-N 3.3Å; D858-R861 PolarHBondContact O-N 3.5Å; D858-R861 WeakPolarHBondContact OD1-CD 3.3Å; D858-R861 IonicContact OD1-NH1 3.55Å; D858-K862 WeakPolarHBondContact O-CB 3.2Å; D858-K862 WeakPolarHBondContact O-CG 3.4Å; D858-K862 PolarHBondContact O-N 3.49Å; D858-K862 WeakPolarHBondContact OD2-CE 3.49Å; D858-K862 IonicContact OD2-NZ 2.67Å; D858-K862 PolarHBondContact OD2-NZ 3.03Å
859	R	75.2	Confident	69.2	Low	175 Å²	175	119.1 Å²	119.1	66%	0.66	54%	0.539	S	S	*	.	H	α-helix	trans	-57.6	-46.1	165.2	-153.7	174.2	-171.6	119.2	-2	110.5	R855 E856 K862 L863	R855-R859 WeakPolarHBondContact O-CB 3.39Å; R855-R859 PolarHBondContact O-N 3.43Å; E856-R859 WeakPolarHBondContact O-CB 3.46Å; E856-R859 PolarHBondContact O-N 2.62Å; R859-K862 PolarHBondContact O-N 3.41Å; R859-L863 WeakPolarHBondContact O-CB 3.25Å; R859-L863 WeakPolarHBondContact O-CG 3.5Å; R859-L863 PolarHBondContact O-N 2.95Å
860	K	79.1	Confident	68.6	Low	101 Å²	101	121.2 Å²	121.2	44%	0.439	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-39.5	171.7	-74.9	167.5	166	116.8	0	113	E856 N857 D858 L863 R864	E856-K860 HydrophobicContact CG-CD 4.46Å; E856-K860 VanDerWaalsContact CG-NZ 3.34Å; E856-K860 WeakPolarHBondContact O-CB 3.46Å; E856-K860 WeakPolarHBondContact O-CG 3.49Å; E856-K860 PolarHBondContact O-N 3.07Å; E856-K860 WeakPolarHBondContact OE1-CE 3.49Å; E856-K860 IonicContact OE1-NZ 2.66Å; E856-K860 PolarHBondContact OE1-NZ 2.95Å; N857-K860 CarbonylContact O-C 3.56Å; N857-K860 WeakPolarHBondContact O-CB 3.4Å; N857-K860 PolarHBondContact O-N 3.35Å; D858-K860 VanDerWaalsContact C-N 3.33Å; D858-K860 PolarHBondContact O-N 3.3Å; K860-L863 PolarHBondContact O-N 3.21Å; K860-R864 WeakPolarHBondContact O-CB 3.25Å; K860-R864 VanDerWaalsContact O-CG 3.32Å; K860-R864 WeakPolarHBondContact O-CG 3.18Å; K860-R864 PolarHBondContact O-N 3.16Å
861	R	75.3	Confident	67.7	Low	133 Å²	133	127.4 Å²	127.4	50%	0.502	56%	0.558	S	S	.	*	H	α-helix	trans	-63.5	-44.8	173.5	-74.2	167.5	176.2	161.5	1.6	111.6	N857 D858 R864 R865	N857-R861 WeakPolarHBondContact O-CG 3.4Å; N857-R861 PolarHBondContact O-N 3.04Å; D858-R861 PolarHBondContact O-N 3.5Å; D858-R861 WeakPolarHBondContact OD1-CD 3.3Å; D858-R861 IonicContact OD1-NH1 3.55Å; R861-R864 PolarHBondContact O-N 3.19Å; R861-R865 PolarHBondContact O-N 3.28Å
862	K	73	Confident	67.2	Low	130 Å²	130	129.6 Å²	129.6	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-62.5	-42.8	176.6	-76.7	159.2	171.4	146.8	0	111.5	D858 R859 R865 K866	D858-K862 WeakPolarHBondContact O-CB 3.2Å; D858-K862 WeakPolarHBondContact O-CG 3.4Å; D858-K862 PolarHBondContact O-N 3.49Å; D858-K862 WeakPolarHBondContact OD2-CE 3.49Å; D858-K862 IonicContact OD2-NZ 2.67Å; D858-K862 PolarHBondContact OD2-NZ 3.03Å; R859-K862 PolarHBondContact O-N 3.41Å; K862-R865 PolarHBondContact O-N 3.27Å; K862-K866 PolarHBondContact O-N 2.82Å
863	L	73.4	Confident	66.3	Low	111 Å²	111	128.5 Å²	128.5	58%	0.581	57%	0.568	S	S	*	*	H	α-helix	trans	-61.9	-46	171.7	-76.7	163.2	0	0	0	112.6	R859 K860 R865 K866 S867	R859-L863 WeakPolarHBondContact O-CB 3.25Å; R859-L863 WeakPolarHBondContact O-CG 3.5Å; R859-L863 PolarHBondContact O-N 2.95Å; K860-L863 PolarHBondContact O-N 3.21Å; L863-R865 VanDerWaalsContact C-N 3.31Å; L863-R865 PolarHBondContact O-N 3.47Å; L863-K866 PolarHBondContact O-N 3.39Å; L863-S867 WeakPolarHBondContact O-CB 3.38Å; L863-S867 PolarHBondContact O-N 3.35Å
864	R	69.7	Low	65.1	Low	196 Å²	196	132.5 Å²	132.5	74%	0.74	58%	0.578	S	S	*	*	H	α-helix	trans	-64.6	-31.8	175.9	-71	177.5	92.9	-173.2	7.9	112.6	K860 R861 K868	K860-R864 WeakPolarHBondContact O-CB 3.25Å; K860-R864 VanDerWaalsContact O-CG 3.32Å; K860-R864 WeakPolarHBondContact O-CG 3.18Å; K860-R864 PolarHBondContact O-N 3.16Å; R861-R864 PolarHBondContact O-N 3.19Å; R864-K868 WeakPolarHBondContact O-CG 3.46Å; R864-K868 PolarHBondContact O-N 3.06Å
865	R	67.6	Low	63.6	Low	172 Å²	172	136.1 Å²	136.1	65%	0.649	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-51.2	171.7	-80.2	177.1	168.2	147.2	-4.4	111.7	R861 K862 L863 S867 K868 N869	R861-R865 PolarHBondContact O-N 3.28Å; K862-R865 PolarHBondContact O-N 3.27Å; L863-R865 VanDerWaalsContact C-N 3.31Å; L863-R865 PolarHBondContact O-N 3.47Å; R865-S867 VanDerWaalsContact C-N 3.29Å; R865-S867 PolarHBondContact O-N 3.46Å; R865-K868 PolarHBondContact O-N 3.29Å; R865-K868 VanDerWaalsContact O-N 3.13Å; R865-N869 PolarHBondContact O-N 2.97Å; R865-N869 PolarHBondContact O-OD1 2.95Å
866	K	66.8	Low	62.5	Low	169 Å²	169	134.9 Å²	134.9	74%	0.735	59%	0.589	S	S	*	*	H	α-helix	trans	-55.8	-43.4	173.3	-81.3	-165.9	171.6	-169.9	0	111.9	K862 L863 K868 N869 K870	K862-K866 PolarHBondContact O-N 2.82Å; L863-K866 PolarHBondContact O-N 3.39Å; K866-K868 PolarHBondContact O-N 3.48Å; K866-N869 PolarHBondContact O-N 3.37Å; K866-K870 PolarHBondContact O-N 3.24Å
867	S	60.3	Low	60.8	Low	70 Å²	70	138.4 Å²	138.4	49%	0.49	60%	0.598	S	S	.	*	H	α-helix	trans	-65.2	-34.9	177.9	-168.6	0	0	0	0	113.4	L863 R865 R871	L863-S867 WeakPolarHBondContact O-CB 3.38Å; L863-S867 PolarHBondContact O-N 3.35Å; R865-S867 VanDerWaalsContact C-N 3.29Å; R865-S867 PolarHBondContact O-N 3.46Å; S867-R871 WeakPolarHBondContact O-CB 3.38Å; S867-R871 WeakPolarHBondContact O-CG 3.39Å; S867-R871 PolarHBondContact O-N 3.37Å; S867-R871 VanDerWaalsContact O-N 3.13Å
868	K	56.8	Low	58.9	Low	152 Å²	152	144.5 Å²	144.5	66%	0.661	62%	0.615	S	S	*	*	H	α-helix	trans	-68	-44.4	171.8	-82.9	-168.6	173.6	-169	0	112.4	R864 R865 K866 R871 H872	R864-K868 WeakPolarHBondContact O-CG 3.46Å; R864-K868 PolarHBondContact O-N 3.06Å; R865-K868 PolarHBondContact O-N 3.29Å; R865-K868 VanDerWaalsContact O-N 3.13Å; K866-K868 PolarHBondContact O-N 3.48Å; K868-R871 CarbonylContact O-C 3.58Å; K868-R871 PolarHBondContact O-N 3.47Å; K868-H872 PolarHBondContact O-N 3.32Å
869	N	55.2	Low	57.3	Low	107 Å²	107	149.4 Å²	149.4	57%	0.572	64%	0.641	S	S	*	*	H	α-helix	trans	-64.5	-44.8	178.5	-74	27.6	0	0	0	111.4	R865 K866 R871 H872 H873	R865-N869 PolarHBondContact O-N 2.97Å; R865-N869 PolarHBondContact O-OD1 2.95Å; K866-N869 PolarHBondContact O-N 3.37Å; N869-R871 PolarHBondContact O-N 3.23Å; N869-H872 PolarHBondContact O-N 3.29Å; N869-H873 PolarHBondContact O-CD2 2.86Å; N869-H873 PolarHBondContact O-N 3.49Å
870	K	53.6	Low	55.5	Low	125 Å²	125	147.1 Å²	147.1	54%	0.543	65%	0.652	S	S	.	*	H	α-helix	trans	-68.7	-16.9	176.9	-142.1	150.4	-168	159.8	0	113	K866 K874 E1087	K866-K870 PolarHBondContact O-N 3.24Å; K870-K874 VanDerWaalsContact O-CB 3.26Å; K870-K874 WeakPolarHBondContact O-CB 3.46Å; K870-K874 PolarHBondContact O-N 3Å; K870-E1087 WeakPolarHBondContact CE-OE2 3.25Å; K870-E1087 IonicContact NZ-OE1 2.77Å; K870-E1087 PolarHBondContact NZ-OE1 3.36Å; K870-E1087 IonicContact NZ-OE2 2.64Å; K870-E1087 PolarHBondContact NZ-OE2 3.15Å
871	R	48.4	Very low	53.5	Low	193 Å²	193	147 Å²	147	73%	0.728	66%	0.664	S	S	*	*	H	α-helix	trans	-82.9	-23	165.8	-81.6	-174	171.7	-163.5	-2	114.9	S867 K868 N869	S867-R871 WeakPolarHBondContact O-CB 3.38Å; S867-R871 WeakPolarHBondContact O-CG 3.39Å; S867-R871 PolarHBondContact O-N 3.37Å; S867-R871 VanDerWaalsContact O-N 3.13Å; K868-R871 CarbonylContact O-C 3.58Å; K868-R871 PolarHBondContact O-N 3.47Å; N869-R871 PolarHBondContact O-N 3.23Å
872	H	47.1	Very low	51.8	Low	126 Å²	126	149.1 Å²	149.1	58%	0.583	68%	0.679	S	S	*	*	H	α-helix	trans	-79.6	-46.6	172.8	-97.2	-89.8	0	0	0	112.1	K868 N869 K874 R875 H876	K868-H872 PolarHBondContact O-N 3.32Å; N869-H872 PolarHBondContact O-N 3.29Å; H872-K874 VanDerWaalsContact C-N 3.3Å; H872-K874 PolarHBondContact O-N 3.04Å; H872-R875 PolarHBondContact O-N 3.31Å; H872-H876 PolarHBondContact O-N 2.66Å; H872-H876 VanDerWaalsContact O-N 3.08Å
873	H	50.1	Low	50	Low	144 Å²	144	150.3 Å²	150.3	67%	0.667	69%	0.687	S	S	*	*	H	α-helix	trans	-61	-39.3	174.2	-75.8	-88.2	0	0	0	111.7	N869 R875 H876 R877	N869-H873 PolarHBondContact O-CD2 2.86Å; N869-H873 PolarHBondContact O-N 3.49Å; H873-R875 PolarHBondContact O-N 2.86Å; H873-R875 VanDerWaalsContact O-N 3.13Å; H873-H876 PolarHBondContact O-N 3Å; H873-R877 PolarHBondContact O-N 2.69Å
874	K	47	Very low	48.2	Very low	168 Å²	168	153.9 Å²	153.9	73%	0.73	70%	0.7	S	S	*	*	H	α-helix	trans	-74.5	5.4	174.5	-153	157.6	-169.3	162.5	0	114.8	K870 H872	K870-K874 VanDerWaalsContact O-CB 3.26Å; K870-K874 WeakPolarHBondContact O-CB 3.46Å; K870-K874 PolarHBondContact O-N 3Å; H872-K874 VanDerWaalsContact C-N 3.3Å; H872-K874 PolarHBondContact O-N 3.04Å
875	R	41.1	Very low	46.7	Very low	199 Å²	199	151.2 Å²	151.2	75%	0.751	70%	0.701	S	S	*	*	H	α-helix	trans	-106.8	-34.9	165	-96.4	-172.8	165.1	-170.7	-7	113.2	H872 H873 R877	H872-R875 PolarHBondContact O-N 3.31Å; H873-R875 PolarHBondContact O-N 2.86Å; H873-R875 VanDerWaalsContact O-N 3.13Å; R875-R877 PolarHBondContact O-N 2.95Å
876	H	45.5	Very low	45.1	Very low	160 Å²	160	146.9 Å²	146.9	74%	0.741	70%	0.702	S	S	*	*	H	α-helix	trans	-74.1	-4.8	176.9	-87	-76.8	0	0	0	115.1	H872 H873	H872-H876 PolarHBondContact O-N 2.66Å; H872-H876 VanDerWaalsContact O-N 3.08Å; H873-H876 PolarHBondContact O-N 3Å
877	R	42	Very low	43.7	Very low	153 Å²	153	148.1 Å²	148.1	58%	0.577	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	28	178.4	-107.1	-179.2	165.1	-147	-2.8	115	H873 R875 E1084	H873-R877 PolarHBondContact O-N 2.69Å; R875-R877 PolarHBondContact O-N 2.95Å; R877-E1084 IonicContact CZ-OE1 2.79Å; R877-E1084 IonicContact CZ-OE2 3.11Å; R877-E1084 IonicContact NE-OE1 2.69Å; R877-E1084 IonicContact NH1-OE1 3.91Å; R877-E1084 PolarHBondContact NH1-OE1 3.21Å; R877-E1084 IonicContact NH1-OE2 3.75Å; R877-E1084 PolarHBondContact NH1-OE2 3.24Å; R877-E1084 VanDerWaalsContact NH2-CD 3.3Å; R877-E1084 IonicContact NH2-OE1 3.59Å; R877-E1084 PolarHBondContact NH2-OE1 2.9Å; R877-E1084 IonicContact NH2-OE2 3.93Å; R877-E1084 PolarHBondContact NH2-OE2 3.45Å
878	R	38	Very low	42.5	Very low	214 Å²	214	151.6 Å²	151.6	81%	0.808	72%	0.716	S	S	*	*	S	Bend	trans	-137.3	-10.9	173.5	-76.5	-165.7	172.7	-177.1	-4.3	117
879	D	38.5	Very low	41.6	Very low	140 Å²	140	152 Å²	152	75%	0.749	72%	0.717	S	S	*	*	S	Bend	trans	-121.6	80.7	178.9	-64.2	-53.7	0	0	0	110.5
880	S	36.7	Very low	40.6	Very low	126 Å²	126	153.7 Å²	153.7	88%	0.881	73%	0.726	S	S	*	*			trans	-178.6	70.5	158.8	-80.4	0	0	0	0	111.6
881	S	37.4	Very low	39.6	Very low	100 Å²	100	154.1 Å²	154.1	70%	0.699	73%	0.733	S	S	*	*			trans	-147.4	137.3	160.3	59.5	0	0	0	0	109.8
882	H	39.9	Very low	38.6	Very low	176 Å²	176	149.4 Å²	149.4	82%	0.815	73%	0.73	S	S	*	*			trans	65.8	117.3	-169	-53.4	-80.1	0	0	0	114.6
883	H	35.7	Very low	37.8	Very low	156 Å²	156	150 Å²	150	72%	0.722	74%	0.737	S	S	*	*				82.5	115.1	70.5	-135.3	-80.9	0	0	0	112
884	E	35.5	Very low	36.7	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	73%	0.732	S	S	*	*				-176.7	173.4	117.3	-102	-178.4	-162.3	0	0	112.5
885	D	37.8	Very low	36.1	Very low	140 Å²	140	148.2 Å²	148.2	75%	0.749	74%	0.739	S	S	*	*			trans	-87.3	145.3	-155.7	-77.1	-84.2	0	0	0	116.8
886	A	33.6	Very low	35.5	Very low	81 Å²	81	143.4 Å²	143.4	67%	0.669	73%	0.728	S	S	*	*			trans	41.1	137.5	133.6	0	0	0	0	0	122.8
887	K	37.8	Very low	34.7	Very low	195 Å²	195	142.7 Å²	142.7	85%	0.848	73%	0.729	S	S	*	*			trans	81.1	140.7	144.3	-77.7	170	-178.3	168.6	0	120.8
888	E	34.5	Very low	34	Very low	143 Å²	143	140.1 Å²	140.1	67%	0.668	73%	0.73	S	S	*	*			trans	76.7	131	146	-78.7	-163.7	132.8	0	0	121.9
889	K	38.7	Very low	33.6	Very low	159 Å²	159	136.4 Å²	136.4	69%	0.691	73%	0.725	S	S	*	*			trans	71.1	124.6	151	-63.6	153.4	-171.1	152.8	0	115.4
890	N	34.3	Very low	33.1	Very low	143 Å²	143	136 Å²	136	77%	0.765	72%	0.723	S	S	*	*			cis	72	129.7	39.4	-142.9	3.8	0	0	0	113.1
891	I	31.5	Very low	32.8	Very low	134 Å²	134	135.5 Å²	135.5	69%	0.687	71%	0.711	S	S	*	*			trans	73.8	79.8	162.5	-56.7	163.4	0	0	0	116.8
892	S	28.6	Very low	32.4	Very low	94 Å²	94	139 Å²	139	66%	0.657	72%	0.716	S	S	*	*				68.3	167.8	113.5	83.8	0	0	0	0	123.3
893	L	29.1	Very low	32.1	Very low	140 Å²	140	134.4 Å²	134.4	73%	0.733	72%	0.716	S	S	*	*			trans	68.5	110.9	153.8	-97.4	69.6	0	0	0	120.1
894	I	28.1	Very low	31.8	Very low	109 Å²	109	130.2 Å²	130.2	56%	0.559	72%	0.715	S	S	*	*				62.3	107.9	122.1	-63.2	177.4	0	0	0	118.1	N896	I894-N896 HydrophobicContact CG2-CB 3.54Å; I894-N896 VanDerWaalsContact CG2-ND2 3.28Å; I894-N896 WeakPolarHBondContact CG2-ND2 3.36Å; I894-N896 WeakPolarHBondContact CG2-OD1 3.32Å
895	D	33.3	Very low	31.5	Very low	164 Å²	164	129.1 Å²	129.1	88%	0.877	71%	0.714	S	S	*	*				-102.9	125.5	116.2	-89.5	-35.6	0	0	0	105.7
896	N	29.2	Very low	31.3	Very low	98 Å²	98	128.5 Å²	128.5	52%	0.524	71%	0.708	S	S	.	*			cis	54.4	117.1	36.5	-83.7	-7.8	0	0	0	112	I894	I894-N896 HydrophobicContact CG2-CB 3.54Å; I894-N896 VanDerWaalsContact CG2-ND2 3.28Å; I894-N896 WeakPolarHBondContact CG2-ND2 3.36Å; I894-N896 WeakPolarHBondContact CG2-OD1 3.32Å
897	L	29.6	Very low	31.4	Very low	145 Å²	145	133.3 Å²	133.3	76%	0.759	71%	0.714	S	S	*	*			cis	-130.7	128.1	16.1	-72	103.8	0	0	0	108.9
898	T	27.1	Very low	31.1	Very low	99 Å²	99	127.1 Å²	127.1	61%	0.607	71%	0.705	S	S	*	*				59.7	147.9	75.2	71.7	0	0	0	0	115.3
899	I	29.3	Very low	31.1	Very low	136 Å²	136	126.1 Å²	126.1	70%	0.697	71%	0.705	S	S	*	*			trans	84.4	83.8	169.8	-52.3	159.5	0	0	0	115.7
900	N	28	Very low	30.7	Very low	133 Å²	133	126.6 Å²	126.6	71%	0.711	71%	0.709	S	S	*	*				55.8	160	119.1	-48.5	-0.3	0	0	0	123.8
901	D	30.3	Very low	30.7	Very low	115 Å²	115	124.4 Å²	124.4	62%	0.615	71%	0.705	S	S	*	*			trans	82.8	102.2	140	-71.9	-46.6	0	0	0	121.2
902	Q	29.5	Very low	30.7	Very low	174 Å²	174	122.6 Å²	122.6	81%	0.813	71%	0.705	S	S	*	*				77.2	137.9	127.5	-61.6	169.9	46.5	0	0	120.1
903	G	32.3	Very low	31	Very low	79 Å²	79	123.1 Å²	123.1	81%	0.814	71%	0.708	S	S	*	*			trans	83.7	110.6	177.9	0	0	0	0	0	113.1
904	G	29.8	Very low	31.2	Very low	67 Å²	67	121.3 Å²	121.3	69%	0.691	71%	0.707	S	S	*	*			cis	98.6	147	5.2	0	0	0	0	0	112.9
905	L	29.3	Very low	31.6	Very low	163 Å²	163	120.8 Å²	120.8	85%	0.853	71%	0.713	S	S	*	*			trans	73.6	142.9	-178.7	-50.4	174.9	0	0	0	113.4
906	M	33.7	Very low	31.6	Very low	128 Å²	128	118 Å²	118	63%	0.631	71%	0.706	S	S	*	*			cis	-163.1	156.1	1.8	-120.9	-68.9	-167.7	0	0	111.8
907	F	35.1	Very low	31.9	Very low	182 Å²	182	118.6 Å²	118.6	80%	0.798	72%	0.719	S	S	*	*			trans	61.9	144.9	172.7	-49.1	-66.3	0	0	0	117.1
908	G	33	Very low	32.1	Very low	64 Å²	64	116.9 Å²	116.9	66%	0.66	72%	0.719	S	S	*	*			cis	121.4	143	4.9	0	0	0	0	0	111.5
909	N	33.3	Very low	32.7	Very low	122 Å²	122	118.3 Å²	118.3	65%	0.652	73%	0.73	S	S	*	*			cis	-145.4	163	0.8	-93.9	34	0	0	0	108.5
910	E	31.6	Very low	32.9	Very low	169 Å²	169	116.8 Å²	116.8	79%	0.79	73%	0.731	S	S	*	*				40.5	144.7	109.1	-44.6	172.3	145.3	0	0	117.3
911	S	33.4	Very low	33.3	Very low	98 Å²	98	117.2 Å²	117.2	69%	0.685	73%	0.733	S	S	*	*			cis	-171.7	170.7	-16	54.2	0	0	0	0	110.1
912	S	31.9	Very low	33.6	Very low	96 Å²	96	120.5 Å²	120.5	67%	0.671	74%	0.741	S	S	*	*			trans	55.7	137	143.1	60.1	0	0	0	0	123
913	S	34.2	Very low	34	Very low	104 Å²	104	116.3 Å²	116.3	73%	0.727	73%	0.731	S	S	*	*			trans	90.5	126.7	140	72.5	0	0	0	0	122.4
914	S	34.3	Very low	34.1	Very low	102 Å²	102	119 Å²	119	71%	0.713	73%	0.727	S	S	*	*			trans	70	130.2	137.1	57.3	0	0	0	0	123.8
915	S	34.9	Very low	34.4	Very low	99 Å²	99	120.8 Å²	120.8	69%	0.692	73%	0.729	S	S	*	*			trans	74.4	111.2	133.4	62.5	0	0	0	0	122.4
916	S	34.9	Very low	34.7	Very low	104 Å²	104	117.8 Å²	117.8	73%	0.727	72%	0.722	S	S	*	*				86.7	151.3	119.2	71.1	0	0	0	0	122.5
917	S	33.8	Very low	34.6	Very low	112 Å²	112	119.5 Å²	119.5	78%	0.783	73%	0.732	S	S	*	*			trans	73.8	116	160.1	22.4	0	0	0	0	120.3
918	S	33.6	Very low	34.5	Very low	109 Å²	109	120 Å²	120	76%	0.762	74%	0.736	S	S	*	*			trans	-62	168.7	152.9	-37.8	0	0	0	0	111.6
919	P	41.1	Very low	34.5	Very low	129 Å²	129	121.6 Å²	121.6	84%	0.838	74%	0.738	S	S	*	*				-146.3	170.1	95.1	38.5	-23	0	0	0	115.8
920	S	33.6	Very low	34.7	Very low	103 Å²	103	122.2 Å²	122.2	72%	0.72	74%	0.741	S	S	*	*			trans	-88.1	168.2	178	-44.1	0	0	0	0	113.3
921	L	35.7	Very low	35	Very low	143 Å²	143	120.3 Å²	120.3	75%	0.749	74%	0.736	S	S	*	*				148	130.3	125.7	-77.7	172.1	0	0	0	113.8
922	K	36.7	Very low	35.1	Very low	184 Å²	184	121.6 Å²	121.6	80%	0.8	74%	0.735	S	S	*	*			trans	53.2	149.1	135.2	-65.8	-178.1	-178.8	-178.5	0	120.5
923	S	37.7	Very low	35.5	Very low	86 Å²	86	125 Å²	125	60%	0.601	74%	0.74	S	S	*	*			cis	-168.2	-172.5	-4.5	38.4	0	0	0	0	110.8
924	D	35.3	Very low	35.7	Very low	134 Å²	134	127 Å²	127	72%	0.717	74%	0.737	S	S	*	*			trans	86.1	91.3	149.9	-50.3	-41.8	0	0	0	122.6
925	S	35.6	Very low	35.9	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	74%	0.741	S	S	*	*				66.6	149.5	117.2	67.9	0	0	0	0	125.8
926	S	34.6	Very low	35.9	Very low	101 Å²	101	128 Å²	128	71%	0.706	74%	0.744	S	S	*	*			trans	78.7	110.8	148	42.3	0	0	0	0	122.5
927	I	31.7	Very low	35.7	Very low	163 Å²	163	130.8 Å²	130.8	84%	0.836	75%	0.745	S	S	*	*				46.5	120.9	119.2	-71.6	172.6	0	0	0	119.2
928	E	34.3	Very low	36	Very low	192 Å²	192	131.3 Å²	131.3	90%	0.897	75%	0.746	S	S	*	*				-161.5	175.2	115.4	-121.3	165	-161.8	0	0	111.3
929	S	32.9	Very low	36	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	74%	0.739	S	S	*	*			trans	-118	-161.1	-170.5	56.7	0	0	0	0	113.2
930	D	36.6	Very low	35.7	Very low	135 Å²	135	132.3 Å²	132.3	72%	0.722	74%	0.736	S	S	*	*			trans	92.7	149.2	163.1	-54.7	6.6	0	0	0	117.5
931	L	37.6	Very low	35.8	Very low	130 Å²	130	132.1 Å²	132.1	68%	0.681	73%	0.734	S	S	*	*			cis	-173.7	140.7	-44.7	-108.7	165.9	0	0	0	108.7
932	D	36	Very low	35.6	Very low	125 Å²	125	130 Å²	130	67%	0.668	73%	0.731	S	S	*	*			trans	61.2	161.2	153.7	-61.4	-21.2	0	0	0	124.2
933	H	39.7	Very low	35.4	Very low	167 Å²	167	128.4 Å²	128.4	77%	0.773	73%	0.731	S	S	*	*			trans	94.5	137.8	164.1	-56.3	82.3	0	0	0	119.4
934	H	40.1	Very low	35	Very low	147 Å²	147	129.1 Å²	129.1	68%	0.681	74%	0.736	S	S	*	*			cis	-168.5	162.2	-32.8	-133	-87.8	0	0	0	109.7
935	D	37.6	Very low	34.8	Very low	149 Å²	149	127.3 Å²	127.3	80%	0.797	73%	0.734	S	S	*	*			trans	64.9	149.4	163	-54.4	-30.1	0	0	0	119.5
936	G	34.8	Very low	34.6	Very low	72 Å²	72	127.8 Å²	127.8	74%	0.742	74%	0.737	S	S	*	*			cis	-177.1	164.1	-4.1	0	0	0	0	0	113.3
937	Q	29.8	Very low	34.5	Very low	162 Å²	162	127.1 Å²	127.1	76%	0.757	73%	0.732	S	S	*	*			trans	-80.8	168.2	176.9	-65.8	-170.1	-76.5	0	0	113.4
938	P	40.9	Very low	34.5	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	73%	0.728	S	S	*	*				-136.2	165.9	115.9	38.8	-29.8	0	0	0	115.1
939	N	32.9	Very low	34.5	Very low	113 Å²	113	123.7 Å²	123.7	60%	0.604	72%	0.715	S	S	*	*			trans	-106.3	-177.4	179.5	-62.1	-54.5	0	0	0	112.4
940	N	36.2	Very low	34.7	Very low	145 Å²	145	127.1 Å²	127.1	78%	0.775	72%	0.72	S	S	*	*			trans	97.3	93.9	149.7	-60.9	-17.9	0	0	0	120.8
941	S	34.3	Very low	34.5	Very low	99 Å²	99	124.8 Å²	124.8	69%	0.692	71%	0.714	S	S	*	*				76.8	136.4	107.6	78.3	0	0	0	0	123.3
942	S	33.5	Very low	34.4	Very low	98 Å²	98	123.7 Å²	123.7	69%	0.685	71%	0.713	S	S	*	*				106.6	134.8	124	78.7	0	0	0	0	120.6
943	L	31.6	Very low	34.5	Very low	151 Å²	151	123.9 Å²	123.9	79%	0.791	71%	0.708	S	S	*	*			trans	65.2	112.1	145.6	-67	164.6	0	0	0	118.1
944	S	29.9	Very low	34.2	Very low	102 Å²	102	121 Å²	121	71%	0.713	70%	0.695	S	S	*	*				79.5	148.4	86.6	90	0	0	0	0	113.4
945	S	30.9	Very low	33.8	Very low	95 Å²	95	120.3 Å²	120.3	66%	0.664	69%	0.692	S	S	*	*			cis	-169.3	163.1	14.1	51.1	0	0	0	0	111.2
946	S	30.6	Very low	33.4	Very low	115 Å²	115	118.8 Å²	118.8	80%	0.804	69%	0.688	S	S	*	*			trans	68.5	162.8	161.2	80.5	0	0	0	0	116.1
947	S	32	Very low	33.2	Very low	87 Å²	87	119.7 Å²	119.7	61%	0.608	68%	0.675	S	S	*	*			cis	-158.4	145.9	14.2	55.5	0	0	0	0	112.8
948	M	33.3	Very low	33.3	Very low	151 Å²	151	117.4 Å²	117.4	74%	0.744	67%	0.667	S	S	*	*			trans	60.8	151.9	141.9	-63.9	163.2	76.2	0	0	118.8
949	E	33.2	Very low	32.9	Very low	132 Å²	132	113.8 Å²	113.8	62%	0.617	64%	0.644	S	S	*	*			cis	-169.4	152.2	-13.4	-114.9	167.6	-166.1	0	0	108.1
950	H	37.1	Very low	32.7	Very low	170 Å²	170	113.1 Å²	113.1	79%	0.787	64%	0.644	S	S	*	*			trans	61.7	149.8	159.1	-68.9	-58.4	0	0	0	119.3
951	S	33.3	Very low	32.5	Very low	86 Å²	86	114.1 Å²	114.1	60%	0.601	64%	0.644	S	S	*	*			cis	-154.8	137.7	-18.9	-162.1	0	0	0	0	111.7
952	T	35.8	Very low	32.4	Very low	107 Å²	107	117.6 Å²	117.6	66%	0.656	66%	0.655	S	S	*	*			trans	33.4	108.3	147	55.6	0	0	0	0	121.8
953	K	37.4	Very low	32.4	Very low	130 Å²	130	116.8 Å²	116.8	57%	0.565	65%	0.649	S	S	*	*			trans	68.4	170.8	138.6	-55.6	-167.1	-172.4	-175.1	0	114.1	V1062 N1063 V1064	K953-V1062 PolarHBondContact NZ-O 3.49Å; K953-N1063 PolarHBondContact NZ-O 2.86Å; K953-V1064 WeakPolarHBondContact CD-O 3.33Å
954	Q	32.3	Very low	32.5	Very low	106 Å²	106	119.2 Å²	119.2	50%	0.495	65%	0.653	S	S	.	*			cis	-139.6	-178.1	22.9	-54.9	162.4	-105	0	0	112.9	D1065	Q954-D1065 VanDerWaalsContact CB-C 3.42Å; Q954-D1065 PolarHBondContact NE2-O 3.46Å
955	E	33	Very low	32.7	Very low	132 Å²	132	121 Å²	121	62%	0.617	66%	0.655	S	S	*	*			trans	-86.7	175.1	-155.1	-66.3	174.8	93.7	0	0	117.4	D1066	E955-D1066 VanDerWaalsContact C-OD1 3.24Å; E955-D1066 VanDerWaalsContact O-CA 3.3Å; E955-D1066 WeakPolarHBondContact O-CA 3.47Å; E955-D1066 VanDerWaalsContact O-CG 3.31Å
956	T	29.1	Very low	32.6	Very low	117 Å²	117	120.7 Å²	120.7	72%	0.718	66%	0.657	S	S	*	*			trans	-161.9	143.5	146	-24.4	0	0	0	0	110
957	I	30.1	Very low	32.5	Very low	92 Å²	92	120.4 Å²	120.4	47%	0.472	65%	0.654	S	S	.	*			trans	-84.4	125.9	-170.5	-46.1	173.4	0	0	0	112.3	N1199	I957-N1199 HydrophobicContact CG2-CB 4.05Å; I957-N1199 VanDerWaalsContact CG2-CG 3.5Å; I957-N1199 PolarHBondContact O-ND2 3.48Å
958	I	31.5	Very low	32.5	Very low	114 Å²	114	121.8 Å²	121.8	59%	0.585	65%	0.654	S	S	*	*			trans	-126.1	135.9	167.9	-62.3	-178.7	0	0	0	111
959	S	33.8	Very low	32.5	Very low	48 Å²	48	122.9 Å²	122.9	34%	0.336	66%	0.655	S	S	.	*			trans	-68.9	125	-171.4	50.3	0	0	0	0	113.3	E961 N1199	S959-E961 VanDerWaalsContact C-N 3.31Å; S959-E961 PolarHBondContact O-N 3.06Å; S959-N1199 WeakPolarHBondContact CA-OD1 3.2Å; S959-N1199 WeakPolarHBondContact CB-OD1 3.12Å; S959-N1199 PolarHBondContact N-OD1 2.87Å
960	T	28.9	Very low	32.3	Very low	98 Å²	98	124.4 Å²	124.4	60%	0.601	67%	0.668	S	S	*	*			trans	-77.6	69	-178.2	57.3	0	0	0	0	113.4	Q1201	T960-Q1201 PolarHBondContact OG1-NE2 3.4Å; T960-Q1201 VanDerWaalsContact OG1-NE2 3.15Å
961	E	31.1	Very low	32.2	Very low	167 Å²	167	126.2 Å²	126.2	78%	0.78	68%	0.676	S	S	*	*			trans	-119.8	72.6	172.3	-67.9	-165.1	146.4	0	0	111.2	S959	S959-E961 VanDerWaalsContact C-N 3.31Å; S959-E961 PolarHBondContact O-N 3.06Å
962	N	32.6	Very low	32.2	Very low	172 Å²	172	126.7 Å²	126.7	92%	0.92	68%	0.68	S	S	*	*	S	Bend	trans	-170.3	9.5	156.9	-102.5	-36.7	0	0	0	116.2
963	S	32.5	Very low	32.1	Very low	80 Å²	80	129.2 Å²	129.2	56%	0.559	69%	0.688	S	S	*	*			trans	-99.8	-5	-174.2	49.7	0	0	0	0	116.1	L965	S963-L965 VanDerWaalsContact C-N 3.29Å; S963-L965 PolarHBondContact O-N 3.14Å
964	K	33.5	Very low	31.7	Very low	202 Å²	202	129.2 Å²	129.2	88%	0.878	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	18.5	-173	-76.9	-171.5	172.8	-178.3	0	116.4
965	L	34.1	Very low	31.8	Very low	141 Å²	141	131 Å²	131	74%	0.738	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	7.1	178.5	-80.1	170.8	0	0	0	114.8	S963	S963-L965 VanDerWaalsContact C-N 3.29Å; S963-L965 PolarHBondContact O-N 3.14Å
966	A	30.3	Very low	31.8	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	73%	0.727	S	S	*	*	S	Bend	trans	-112.5	0.3	-173.5	0	0	0	0	0	115.6
967	C	28.6	Very low	32	Very low	110 Å²	110	132.8 Å²	132.8	74%	0.743	73%	0.728	S	S	*	*			trans	-119.2	35.6	-170.2	-49.8	0	0	0	0	113.9
968	L	32.1	Very low	32.1	Very low	116 Å²	116	137.5 Å²	137.5	61%	0.607	75%	0.748	S	S	*	*			trans	-113.6	33.4	-178.7	-82.2	177.4	0	0	0	114.1	R498	R498-L968 PolarHBondContact NH2-O 3.44Å
969	F	32.5	Very low	32.1	Very low	173 Å²	173	139.8 Å²	139.8	76%	0.759	76%	0.76	S	S	*	*	S	Bend	trans	-130.3	141.6	165.2	-71.6	-84.6	0	0	0	108.8
970	D	29.8	Very low	31.9	Very low	165 Å²	165	143.6 Å²	143.6	88%	0.882	79%	0.785	S	S	*	*			trans	46.4	82.8	-177.6	-66.3	-21.7	0	0	0	117.5
971	E	34.1	Very low	32	Very low	207 Å²	207	148.3 Å²	148.3	97%	0.967	80%	0.8	S	S	*	*			trans	-143.8	146.1	135.6	-138.5	168.7	-144.8	0	0	111.8
972	S	33.6	Very low	32	Very low	97 Å²	97	147.2 Å²	147.2	68%	0.678	80%	0.8	S	S	*	*			trans	-116.1	128.2	-167.9	65.5	0	0	0	0	112.9
973	L	32.5	Very low	31.9	Very low	159 Å²	159	149.7 Å²	149.7	83%	0.832	80%	0.802	S	S	*	*	S	Bend	trans	70.3	138.2	168.1	-60.1	159.7	0	0	0	116.1
974	C	29.9	Very low	32	Very low	131 Å²	131	150.2 Å²	150.2	89%	0.885	81%	0.806	S	S	*	*			trans	58.3	99.8	172.6	-73.6	0	0	0	0	117.1
975	D	33.8	Very low	31.7	Very low	142 Å²	142	148.6 Å²	148.6	76%	0.759	81%	0.805	S	S	*	*			trans	-114.5	106.7	158.5	-161	-6.1	0	0	0	109.9
976	H	32.8	Very low	31.6	Very low	181 Å²	181	149.1 Å²	149.1	84%	0.838	81%	0.807	S	S	*	*			trans	-150	55.2	-179.5	-99.8	-29.9	0	0	0	109.4	E978	H976-E978 PolarHBondContact O-N 3.48Å
977	S	34.2	Very low	31.6	Very low	107 Å²	107	151.3 Å²	151.3	75%	0.748	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	71.2	-173	68.4	0	0	0	0	114.5
978	E	32.4	Very low	31.7	Very low	190 Å²	190	150.4 Å²	150.4	89%	0.888	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.1	-10.6	157.4	-128.8	173.5	-143	0	0	115.6	H976	H976-E978 PolarHBondContact O-N 3.48Å
979	I	31.7	Very low	31.9	Very low	163 Å²	163	150.3 Å²	150.3	84%	0.836	80%	0.801	S	S	*	*	S	Bend	trans	-122.5	63.9	-179.7	-45.1	-179.2	0	0	0	111.5
980	C	28.6	Very low	32.3	Very low	127 Å²	127	150 Å²	150	86%	0.858	81%	0.806	S	S	*	*			trans	-149.9	34.8	173.4	-101.7	0	0	0	0	115.4
981	Q	31.5	Very low	32.6	Very low	198 Å²	198	147 Å²	147	93%	0.925	80%	0.797	S	S	*	*	S	Bend	trans	-92.8	1.4	170.8	-76.3	-166.9	-10.7	0	0	115
982	N	32	Very low	32.5	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	78%	0.784	S	S	*	*	S	Bend	trans	-125.5	127	175.5	-92.7	-53.2	0	0	0	111.9	S984	N982-S984 PolarHBondContact O-N 2.95Å
983	K	30	Very low	32.6	Very low	223 Å²	223	145.6 Å²	145.6	97%	0.97	79%	0.79	S	S	*	*			trans	-79.8	80.6	-179.9	-68.5	178.7	178	175.8	0	111.2
984	S	33.8	Very low	32.4	Very low	92 Å²	92	146.1 Å²	146.1	64%	0.643	79%	0.794	S	S	*	*			trans	-140.5	128.8	168.8	53.2	0	0	0	0	111.9	N982 I986	N982-S984 PolarHBondContact O-N 2.95Å; S984-I986 PolarHBondContact O-N 3.5Å
985	I	27.2	Very low	32.6	Very low	168 Å²	168	145.6 Å²	145.6	86%	0.862	79%	0.791	S	S	*	*			trans	-74.2	122.1	-173.8	-58.2	168.3	0	0	0	110.2
986	I	32.3	Very low	32.3	Very low	152 Å²	152	146 Å²	146	78%	0.779	79%	0.793	S	S	*	*			trans	-135.1	134	166.5	-58.1	-177.9	0	0	0	108.1	S984	S984-I986 PolarHBondContact O-N 3.5Å
987	N	31.3	Very low	32	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	80%	0.795	S	S	*	*			trans	-71.1	140	-174.8	-68.4	-17.1	0	0	0	112.7
988	C	28.9	Very low	31.8	Very low	91 Å²	91	147 Å²	147	62%	0.615	79%	0.794	S	S	*	*			trans	-91.3	111.4	162.4	-175	0	0	0	0	109.5	L990	C988-L990 PolarHBondContact O-N 2.79Å
989	D	37.7	Very low	31.5	Very low	113 Å²	113	143.4 Å²	143.4	60%	0.604	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	2.1	-173.3	-101.8	-51.6	0	0	0	115.1	K992	D989-K992 VanDerWaalsContact OD1-CE 3.25Å; D989-K992 WeakPolarHBondContact OD1-CE 3.33Å; D989-K992 IonicContact OD1-NZ 3.5Å; D989-K992 PolarHBondContact OD1-NZ 3.44Å
990	L	41.2	Very low	31.5	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-7.7	-170.3	-74.7	167	0	0	0	115.7	C988	C988-L990 PolarHBondContact O-N 2.79Å
991	C	34.2	Very low	31.6	Very low	102 Å²	102	141 Å²	141	69%	0.689	78%	0.777	S	S	*	*			trans	-118.5	87.5	-177.3	47.6	0	0	0	0	111.6
992	K	32.7	Very low	31.7	Very low	160 Å²	160	138.8 Å²	138.8	70%	0.696	77%	0.771	S	S	*	*			trans	-126.4	64.8	-179.7	-71.2	-179.4	-176.4	163.8	0	113.1	D989	D989-K992 VanDerWaalsContact OD1-CE 3.25Å; D989-K992 WeakPolarHBondContact OD1-CE 3.33Å; D989-K992 IonicContact OD1-NZ 3.5Å; D989-K992 PolarHBondContact OD1-NZ 3.44Å
993	S	35.8	Very low	31.7	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	78%	0.778	S	S	*	*			trans	-153.8	114.7	162.5	40.1	0	0	0	0	109.9
994	N	28.9	Very low	31.6	Very low	170 Å²	170	138.9 Å²	138.9	91%	0.909	77%	0.771	S	S	*	*			trans	-85.9	123.5	174.7	-78.7	-12	0	0	0	109.8
995	S	33.1	Very low	31.4	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	78%	0.779	S	S	*	*			trans	-147.2	121.2	159.4	-172.1	0	0	0	0	107.8
996	L	27.1	Very low	31.5	Very low	151 Å²	151	142.6 Å²	142.6	79%	0.791	78%	0.78	S	S	*	*			trans	-83.4	133.6	-177.7	-77.4	78.8	0	0	0	110.3
997	L	28.1	Very low	31.5	Very low	171 Å²	171	144.2 Å²	144.2	90%	0.895	78%	0.782	S	S	*	*			trans	-145	147.5	139.8	-104.8	169.9	0	0	0	108.4
998	L	29.7	Very low	31.4	Very low	137 Å²	137	142.8 Å²	142.8	72%	0.717	78%	0.782	S	S	*	*			trans	-78.4	137.9	-163.4	-78	68.3	0	0	0	112.1
999	C	26.3	Very low	31.7	Very low	116 Å²	116	143.5 Å²	143.5	78%	0.784	79%	0.786	S	S	*	*			trans	-83.6	121.9	154.9	-175.8	0	0	0	0	108.4
1000	N	30.8	Very low	31.3	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	79%	0.792	S	S	*	*			trans	-127.1	129.3	162	-92.9	-6.5	0	0	0	107
1001	S	30.9	Very low	31	Very low	97 Å²	97	141 Å²	141	68%	0.678	79%	0.79	S	S	*	*			trans	-70.4	174.9	176.3	-48.8	0	0	0	0	112.5
1002	D	33.5	Very low	30.9	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	79%	0.793	S	S	*	*	S	Bend	trans	79.6	110.4	165.6	-53.5	-18.4	0	0	0	117.7
1003	K	31.6	Very low	30.8	Very low	209 Å²	209	141.2 Å²	141.2	91%	0.909	79%	0.791	S	S	*	*			trans	50.7	76.8	159.1	-62.1	-167.2	176.5	-168	0	117.1
1004	L	28.8	Very low	30.8	Very low	159 Å²	159	140.8 Å²	140.8	83%	0.832	79%	0.785	S	S	*	*			trans	-113.7	108.7	159.1	-75.6	176.9	0	0	0	112.5	M1006	L1004-M1006 PolarHBondContact O-N 2.76Å; L1004-M1006 VanDerWaalsContact O-N 3.13Å
1005	I	28.6	Very low	30.8	Very low	155 Å²	155	142.2 Å²	142.2	80%	0.795	78%	0.779	S	S	*	*			trans	-59.6	110.8	159.2	-62.2	166.7	0	0	0	106.9	K1007	I1005-K1007 VanDerWaalsContact C-N 3.33Å; I1005-K1007 PolarHBondContact O-N 3.47Å
1006	M	30.9	Very low	30.6	Very low	183 Å²	183	143 Å²	143	90%	0.901	78%	0.778	S	S	*	*			trans	-70.8	87.8	-179.3	-71.7	-153.6	77.3	0	0	111.2	L1004 S1008	L1004-M1006 PolarHBondContact O-N 2.76Å; L1004-M1006 VanDerWaalsContact O-N 3.13Å; M1006-S1008 PolarHBondContact O-N 3.22Å
1007	K	31.4	Very low	30.7	Very low	187 Å²	187	140.3 Å²	140.3	81%	0.813	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59.9	133	167.7	-67.8	-177.8	176.7	-178.2	0	109.5	I1005	I1005-K1007 VanDerWaalsContact C-N 3.33Å; I1005-K1007 PolarHBondContact O-N 3.47Å
1008	S	29.5	Very low	30.6	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-56.1	136	175.7	-173.1	0	0	0	0	110.9	M1006 A1010	M1006-S1008 PolarHBondContact O-N 3.22Å; S1008-A1010 PolarHBondContact O-N 2.86Å
1009	P	34.8	Very low	30.5	Very low	106 Å²	106	138.8 Å²	138.8	69%	0.688	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-65.2	125.1	171	28	-32.9	0	0	0	109.3	V1011	P1009-V1011 PolarHBondContact O-N 2.81Å; P1009-V1011 VanDerWaalsContact O-N 3.09Å
1010	A	30.2	Very low	30.8	Very low	89 Å²	89	140.7 Å²	140.7	74%	0.736	75%	0.751	S	S	*	*			trans	-64	112.7	178.7	0	0	0	0	0	110.3	S1008 I1012	S1008-A1010 PolarHBondContact O-N 2.86Å; A1010-I1012 VanDerWaalsContact C-N 3.32Å; A1010-I1012 PolarHBondContact O-N 3.24Å
1011	V	33.6	Very low	30.9	Very low	138 Å²	138	141.1 Å²	141.1	84%	0.836	75%	0.754	S	S	*	*			trans	-73.1	89.2	172.3	-178.9	0	0	0	0	108.2	P1009 N1013	P1009-V1011 PolarHBondContact O-N 2.81Å; P1009-V1011 VanDerWaalsContact O-N 3.09Å; V1011-N1013 PolarHBondContact O-N 3.36Å
1012	I	33.2	Very low	31	Very low	148 Å²	148	145.6 Å²	145.6	76%	0.759	76%	0.764	S	S	*	*			trans	-69.1	115.1	176.9	-63.5	176.6	0	0	0	108.5	A1010 P1014	A1010-I1012 VanDerWaalsContact C-N 3.32Å; A1010-I1012 PolarHBondContact O-N 3.24Å; I1012-P1014 WeakPolarHBondContact O-CD 3.24Å
1013	N	29.1	Very low	31	Very low	120 Å²	120	141.8 Å²	141.8	64%	0.642	76%	0.76	S	S	*	*			trans	-71.5	117.4	-171.5	-179.9	8.5	0	0	0	112.9	V1011 Y1015	V1011-N1013 PolarHBondContact O-N 3.36Å; N1013-Y1015 PolarHBondContact O-N 3.29Å
1014	P	36.7	Very low	31.2	Very low	105 Å²	105	138.2 Å²	138.2	68%	0.682	75%	0.75	S	S	*	*			trans	-86.4	85.7	173.6	35	-31.5	0	0	0	111.5	I1012	I1012-P1014 WeakPolarHBondContact O-CD 3.24Å
1015	Y	28.3	Very low	31.5	Very low	201 Å²	201	139.7 Å²	139.7	79%	0.788	75%	0.753	S	S	*	*			trans	43.8	88.9	156	-82.8	-101.9	0	0	0	117.8	N1013 T1017	N1013-Y1015 PolarHBondContact O-N 3.29Å; Y1015-T1017 HydrophobicContact CD1-CG2 3.94Å; Y1015-T1017 HydrophobicContact CE1-CG2 4.35Å
1016	V	29	Very low	31.7	Very low	134 Å²	134	139.3 Å²	139.3	81%	0.812	75%	0.753	S	S	*	*			trans	-103.7	97.1	143.6	-179	0	0	0	0	107.6
1017	T	29.3	Very low	31.7	Very low	96 Å²	96	139.4 Å²	139.4	59%	0.589	75%	0.749	S	S	*	*			trans	-73.9	127.1	169.7	36.2	0	0	0	0	110.1	Y1015 I1019	Y1015-T1017 HydrophobicContact CD1-CG2 3.94Å; Y1015-T1017 HydrophobicContact CE1-CG2 4.35Å; T1017-I1019 PolarHBondContact O-N 3.35Å
1018	E	27.3	Very low	31.8	Very low	141 Å²	141	137 Å²	137	66%	0.659	75%	0.745	S	S	*	*			trans	-59.5	98.8	170.1	-65.2	-177.8	179	0	0	110.7	K1020	E1018-K1020 PolarHBondContact O-N 3.36Å; E1018-K1020 WeakPolarHBondContact OE2-CE 3.29Å; E1018-K1020 IonicContact OE2-NZ 3.48Å; E1018-K1020 PolarHBondContact OE2-NZ 2.92Å
1019	I	27.9	Very low	31.6	Very low	134 Å²	134	140.3 Å²	140.3	69%	0.687	75%	0.749	S	S	*	*			trans	-83.8	104.6	160.3	-58	-177.2	0	0	0	106.9	T1017 D1021	T1017-I1019 PolarHBondContact O-N 3.35Å; I1019-D1021 WeakPolarHBondContact CG2-OD1 3.38Å; I1019-D1021 PolarHBondContact O-N 2.85Å
1020	K	32.6	Very low	31.4	Very low	156 Å²	156	146.2 Å²	146.2	68%	0.678	76%	0.759	S	S	*	*			trans	-81.9	100.7	167.9	-72.9	167.9	-178.1	147.7	0	107.2	E1018 E1022	E1018-K1020 PolarHBondContact O-N 3.36Å; E1018-K1020 WeakPolarHBondContact OE2-CE 3.29Å; E1018-K1020 IonicContact OE2-NZ 3.48Å; E1018-K1020 PolarHBondContact OE2-NZ 2.92Å; K1020-E1022 PolarHBondContact O-N 2.92Å
1021	D	31.9	Very low	31.2	Very low	153 Å²	153	146.9 Å²	146.9	82%	0.818	75%	0.754	S	S	*	*			trans	-70.2	69.3	175.9	-79.3	-20.1	0	0	0	111.7	I1019	I1019-D1021 WeakPolarHBondContact CG2-OD1 3.38Å; I1019-D1021 PolarHBondContact O-N 2.85Å
1022	E	33.7	Very low	31.1	Very low	191 Å²	191	148.3 Å²	148.3	89%	0.893	76%	0.755	S	S	*	*			trans	-117.2	105.5	161.9	-68.7	-160	152.7	0	0	109.5	K1020	K1020-E1022 PolarHBondContact O-N 2.92Å
1023	G	33.6	Very low	30.8	Very low	70 Å²	70	147.5 Å²	147.5	72%	0.722	76%	0.758	S	S	*	*			trans	136.3	87.1	169.6	0	0	0	0	0	115.1	Q1025	G1023-Q1025 PolarHBondContact O-N 3.28Å; G1023-Q1025 VanDerWaalsContact O-N 3.13Å
1024	D	34	Very low	31	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	76%	0.763	S	S	*	*			trans	-66.6	100.2	156.2	-76.8	-45.9	0	0	0	108	K63	K63-D1024 IonicContact NZ-OD2 3.61Å; K63-D1024 PolarHBondContact NZ-OD2 3.48Å
1025	Q	36.3	Very low	30.8	Very low	191 Å²	191	148.3 Å²	148.3	89%	0.893	77%	0.773	S	S	*	*			trans	-160.5	124.4	170.2	-127	155.8	80.8	0	0	114.1	G1023	G1023-Q1025 PolarHBondContact O-N 3.28Å; G1023-Q1025 VanDerWaalsContact O-N 3.13Å
1026	D	32.9	Very low	31.1	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	77%	0.771	S	S	*	*			trans	-69.3	148.8	173.5	-61.2	-71	0	0	0	112.6
1027	F	31.6	Very low	31.2	Very low	186 Å²	186	145.8 Å²	145.8	82%	0.816	77%	0.773	S	S	*	*				172.2	126.1	115.1	-108.5	-93.5	0	0	0	114.3
1028	N	31.8	Very low	31.3	Very low	136 Å²	136	148.5 Å²	148.5	73%	0.727	78%	0.78	S	S	*	*			trans	14.7	119.1	155.5	-57.4	-9	0	0	0	122.8
1029	E	26.6	Very low	31.7	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.804	79%	0.792	S	S	*	*				29.5	118.6	123.8	-172.7	179	-154.9	0	0	120.4
1030	Y	30.7	Very low	31.9	Very low	229 Å²	229	149.8 Å²	149.8	90%	0.898	79%	0.791	S	S	*	*			trans	-155.2	148.6	130.1	-129.7	-89.6	0	0	0	111.7
1031	T	25	Very low	32.2	Very low	104 Å²	104	150 Å²	150	64%	0.638	80%	0.8	S	S	*	*			trans	-116.4	139.6	-176.9	-53.9	0	0	0	0	112.2	T1033	T1031-T1033 HydrophobicContact CG2-CG2 4.35Å
1032	I	30.8	Very low	32.4	Very low	167 Å²	167	149.3 Å²	149.3	86%	0.856	80%	0.796	S	S	*	*			trans	-135.1	142.5	163.5	-61.2	-176.9	0	0	0	108.7
1033	T	28.8	Very low	32.7	Very low	132 Å²	132	149.6 Å²	149.6	81%	0.81	80%	0.795	S	S	*	*			trans	-116.1	159.2	-171.4	50.6	0	0	0	0	113.1	T1031	T1031-T1033 HydrophobicContact CG2-CG2 4.35Å
1034	G	32.3	Very low	32.7	Very low	74 Å²	74	154.8 Å²	154.8	76%	0.763	80%	0.8	S	S	*	*			trans	-165.4	128.4	170	0	0	0	0	0	110.7
1035	N	32.5	Very low	32.6	Very low	167 Å²	167	156.9 Å²	156.9	89%	0.893	81%	0.806	S	S	*	*			trans	-116.4	164.5	-171.8	-105.4	14.1	0	0	0	112.7
1036	P	34.4	Very low	32.5	Very low	113 Å²	113	159.4 Å²	159.4	73%	0.734	81%	0.807	S	S	*	*			trans	-94	-171.5	-159.6	38.8	-38.9	0	0	0	115
1037	I	31.1	Very low	32.4	Very low	169 Å²	169	161.9 Å²	161.9	87%	0.867	81%	0.814	S	S	*	*			trans	-122.9	135.7	173.8	-63.4	175	0	0	0	109.1
1038	E	30.8	Very low	32.5	Very low	154 Å²	154	156.5 Å²	156.5	72%	0.72	81%	0.811	S	S	*	*			trans	-99.7	157.8	177.4	-58.4	175.8	155	0	0	112.1
1039	L	35.5	Very low	32.4	Very low	175 Å²	175	156.5 Å²	156.5	92%	0.916	82%	0.816	S	S	*	*			trans	-143	129.4	153.4	-78.4	179.8	0	0	0	109.5
1040	N	32.7	Very low	32.7	Very low	127 Å²	127	159.3 Å²	159.3	68%	0.679	82%	0.819	S	S	*	*			trans	-113.1	157.6	175.3	-60	-49.3	0	0	0	109.8
1041	D	39.9	Very low	32.7	Very low	161 Å²	161	154.9 Å²	154.9	86%	0.861	81%	0.811	S	S	*	*			trans	-158.7	123.8	155.8	-115.4	-33.6	0	0	0	110.9
1042	D	35.2	Very low	32.8	Very low	138 Å²	138	155.7 Å²	155.7	74%	0.738	82%	0.816	S	S	*	*			trans	-102.8	154.1	-176	-52.3	-77.7	0	0	0	113.4
1043	K	40.2	Very low	33	Very low	197 Å²	197	156.5 Å²	156.5	86%	0.857	82%	0.816	S	S	*	*			trans	-170	165.7	140.2	-106.1	149.4	-155.5	111.7	0	117.2
1044	E	34	Very low	33.2	Very low	179 Å²	179	157.9 Å²	157.9	84%	0.836	81%	0.813	S	S	*	*			trans	-110.1	162.3	-154.7	-57.7	160.7	115.7	0	0	115.9
1045	E	31.4	Very low	33.3	Very low	178 Å²	178	164.1 Å²	164.1	83%	0.832	82%	0.82	S	S	*	*			trans	2.5	141.9	151.8	-52.7	-176.4	162.8	0	0	122.5
1046	R	34	Very low	33.2	Very low	244 Å²	244	163.1 Å²	163.1	92%	0.921	81%	0.814	S	S	*	*				-169.2	157.4	106.2	-127.2	-178.4	175.3	101.3	5.2	115.6
1047	E	30.7	Very low	33.2	Very low	197 Å²	197	160.6 Å²	160.6	92%	0.921	81%	0.809	S	S	*	*			trans	-84.2	163	178.2	-53.3	175.5	110.4	0	0	115.1
1048	G	33.2	Very low	33.5	Very low	74 Å²	74	159.4 Å²	159.4	76%	0.763	81%	0.805	S	S	*	*			trans	-173.1	142.3	163.7	0	0	0	0	0	113.8
1049	T	30.3	Very low	33.9	Very low	135 Å²	135	158.8 Å²	158.8	83%	0.828	81%	0.806	S	S	*	*			trans	-135.5	141.5	-175.1	50	0	0	0	0	113.5
1050	R	33.1	Very low	34.2	Very low	231 Å²	231	159.1 Å²	159.1	87%	0.872	80%	0.803	S	S	*	*			trans	170.1	125.1	140.7	-97.6	162.7	177.5	157.2	1.2	116.6
1051	N	30.8	Very low	34.4	Very low	137 Å²	137	160.5 Å²	160.5	73%	0.733	81%	0.811	S	S	*	*				49	117.2	124.9	-57.6	24.4	0	0	0	123.7
1052	T	28.2	Very low	34.4	Very low	120 Å²	120	158.7 Å²	158.7	74%	0.736	81%	0.805	S	S	*	*				66.9	116.8	117.3	-46.5	0	0	0	0	122.6
1053	E	34.7	Very low	34.4	Very low	184 Å²	184	158.5 Å²	158.5	86%	0.86	80%	0.804	S	S	*	*			trans	179.4	123.3	134.7	-98.8	162.9	-155.4	0	0	105.9
1054	Q	32.5	Very low	34.3	Very low	161 Å²	161	153.3 Å²	153.3	75%	0.752	79%	0.789	S	S	*	*			cis	85.4	100.7	47	-167.9	174	28.1	0	0	114.4
1055	F	34	Very low	34.5	Very low	205 Å²	205	150.3 Å²	150.3	90%	0.899	78%	0.778	S	S	*	*			trans	-149.5	146.3	162.5	-113.7	-86.6	0	0	0	110.2
1056	N	29.8	Very low	34.8	Very low	146 Å²	146	146 Å²	146	78%	0.781	76%	0.761	S	S	*	*			trans	-128.3	157.3	-177	-81	8.9	0	0	0	111.7
1057	G	36	Very low	34.9	Very low	61 Å²	61	137.2 Å²	137.2	63%	0.629	75%	0.746	S	S	*	*			trans	121.7	156.9	144.5	0	0	0	0	0	116.6
1058	D	37.6	Very low	35.4	Very low	144 Å²	144	136.4 Å²	136.4	77%	0.77	74%	0.742	S	S	*	*			cis	-166.5	166.5	-18.3	-93	-35.5	0	0	0	108.8
1059	D	39.2	Very low	35.5	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	74%	0.742	S	S	*	*			trans	73.3	116.9	153.6	-58.7	-21.6	0	0	0	125.6
1060	E	40.4	Very low	35.8	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	74%	0.741	S	S	*	*				92.9	153.3	128.9	-70.9	-171.7	-170.7	0	0	125.3
1061	D	37.4	Very low	36	Very low	156 Å²	156	139.9 Å²	139.9	83%	0.834	74%	0.744	S	S	*	*			trans	-113.1	-180	-158.1	-62.8	-74.4	0	0	0	115.9
1062	V	40.1	Very low	36.2	Very low	124 Å²	124	141 Å²	141	75%	0.752	75%	0.749	S	S	*	*			trans	155.4	145.7	135.6	163	0	0	0	0	115.2	K953	K953-V1062 PolarHBondContact NZ-O 3.49Å
1063	N	34.9	Very low	36.4	Very low	134 Å²	134	140 Å²	140	72%	0.717	75%	0.747	S	S	*	*			trans	-101.7	-153.7	-160.2	-59.5	-30.7	0	0	0	117.2	K953	K953-N1063 PolarHBondContact NZ-O 2.86Å
1064	V	38.4	Very low	36.6	Very low	88 Å²	88	138.1 Å²	138.1	53%	0.533	74%	0.743	S	S	.	*			trans	85.1	145.7	163.5	166.1	0	0	0	0	118.2	K953	K953-V1064 WeakPolarHBondContact CD-O 3.33Å
1065	D	38.2	Very low	36.7	Very low	115 Å²	115	139 Å²	139	62%	0.615	75%	0.752	S	S	*	*			cis	175.3	85.1	-17.6	-159.5	49.6	0	0	0	113.6	Q954	Q954-D1065 VanDerWaalsContact CB-C 3.42Å; Q954-D1065 PolarHBondContact NE2-O 3.46Å
1066	D	36.5	Very low	36.6	Very low	89 Å²	89	135.4 Å²	135.4	48%	0.476	75%	0.747	S	S	.	*			trans	50	151.4	177.3	-56.1	1.6	0	0	0	127.7	E955	E955-D1066 VanDerWaalsContact C-OD1 3.24Å; E955-D1066 VanDerWaalsContact O-CA 3.3Å; E955-D1066 WeakPolarHBondContact O-CA 3.47Å; E955-D1066 VanDerWaalsContact O-CG 3.31Å
1067	G	37.3	Very low	36.8	Very low	58 Å²	58	135.8 Å²	135.8	60%	0.598	75%	0.749	S	S	*	*			trans	142.1	105.7	146.4	0	0	0	0	0	125.1
1068	E	40.1	Very low	36.9	Very low	181 Å²	181	141.7 Å²	141.7	85%	0.846	76%	0.76	S	S	*	*			trans	43.6	151.6	138.4	-66.3	169.6	-171.8	0	0	124
1069	E	36.3	Very low	36.9	Very low	162 Å²	162	144 Å²	144	76%	0.757	77%	0.767	S	S	*	*			cis	-164.9	173.7	-16.4	-116.7	-178.6	177	0	0	111
1070	D	36.8	Very low	37	Very low	149 Å²	149	142.2 Å²	142.2	80%	0.797	76%	0.756	S	S	*	*			trans	52.3	112.7	165	-75.9	-12.7	0	0	0	123.3
1071	E	36	Very low	36.9	Very low	202 Å²	202	140.6 Å²	140.6	94%	0.944	75%	0.748	S	S	*	*				-171.3	-174.3	101.4	-125.2	-174.3	174.3	0	0	112.8
1072	L	35.3	Very low	37	Very low	160 Å²	160	135.8 Å²	135.8	84%	0.838	74%	0.735	S	S	*	*			trans	-115.7	161.7	-155.3	-149.9	80.5	0	0	0	116.1
1073	S	32.3	Very low	37.2	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	74%	0.735	S	S	*	*			trans	89.3	155.5	148.8	73.6	0	0	0	0	122.1
1074	D	38.7	Very low	37.8	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	72%	0.721	S	S	*	*			trans	56.9	90.1	161.7	-65.8	2.1	0	0	0	121.8
1075	L	34.4	Very low	38.3	Very low	179 Å²	179	138.1 Å²	138.1	94%	0.937	73%	0.728	S	S	*	*			trans	-148.5	119.5	130.3	-83.1	-168.5	0	0	0	111.3
1076	T	33.3	Very low	39	Very low	130 Å²	130	138.9 Å²	138.9	80%	0.798	73%	0.728	S	S	*	*			trans	-140.5	99.1	170.3	43.4	0	0	0	0	111.5
1077	N	33.5	Very low	40.1	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	73%	0.73	S	S	*	*			trans	177.4	84.3	157.1	-95.1	-28.3	0	0	0	111.1
1078	E	37.8	Very low	41.3	Very low	186 Å²	186	143 Å²	143	87%	0.869	73%	0.728	S	S	*	*			trans	-152.8	6.8	171.2	-124.9	166.3	-142.5	0	0	114.6
1079	Q	37.3	Very low	42.4	Very low	193 Å²	193	138.3 Å²	138.3	90%	0.902	71%	0.712	S	S	*	*	S	Bend	trans	-110.9	19.7	-175.8	-65.7	-169.6	-56	0	0	114.4
1080	I	42	Very low	43.8	Very low	101 Å²	101	137 Å²	137	52%	0.518	70%	0.704	S	S	.	*	S	Bend	trans	-113.7	-19.2	-176.8	-66.3	177.2	0	0	0	112.7
1081	E	38.8	Very low	45.2	Very low	149 Å²	149	132.2 Å²	132.2	70%	0.696	69%	0.685	S	S	*	*	S	Bend	trans	-81.1	-31.2	-173.1	-55.4	-165.5	143.9	0	0	112.8	E1083 E1084 E1085	E1081-E1083 PolarHBondContact O-N 3.5Å; E1081-E1084 PolarHBondContact O-N 3.28Å; E1081-E1084 VanDerWaalsContact O-N 3.15Å; E1081-E1085 PolarHBondContact O-N 3.22Å
1082	G	39.4	Very low	46.4	Very low	54 Å²	54	127.3 Å²	127.3	56%	0.557	66%	0.662	S	S	*	*	H	α-helix	trans	-66.2	-29	-179.9	0	0	0	0	0	115.6	E1084 E1086	G1082-E1084 VanDerWaalsContact C-N 3.31Å; G1082-E1086 PolarHBondContact O-N 2.96Å
1083	E	44.8	Very low	47.5	Very low	160 Å²	160	124.4 Å²	124.4	75%	0.748	65%	0.647	S	S	*	*	H	α-helix	trans	-73.4	-24.4	174.6	-68.8	-165.2	153.9	0	0	112.4	E1081 E1087	E1081-E1083 PolarHBondContact O-N 3.5Å; E1083-E1087 PolarHBondContact O-N 2.88Å
1084	E	47.1	Very low	48.6	Very low	90 Å²	90	122.9 Å²	122.9	42%	0.421	64%	0.636	S	S	.	*	H	α-helix	trans	-86.2	-35.1	179.6	-68.6	-159.3	139.2	0	0	112.8	R877 E1081 G1082 E1086 E1087 E1088	R877-E1084 IonicContact CZ-OE1 2.79Å; R877-E1084 IonicContact CZ-OE2 3.11Å; R877-E1084 IonicContact NE-OE1 2.69Å; R877-E1084 IonicContact NH1-OE1 3.91Å; R877-E1084 PolarHBondContact NH1-OE1 3.21Å; R877-E1084 IonicContact NH1-OE2 3.75Å; R877-E1084 PolarHBondContact NH1-OE2 3.24Å; R877-E1084 VanDerWaalsContact NH2-CD 3.3Å; R877-E1084 IonicContact NH2-OE1 3.59Å; R877-E1084 PolarHBondContact NH2-OE1 2.9Å; R877-E1084 IonicContact NH2-OE2 3.93Å; R877-E1084 PolarHBondContact NH2-OE2 3.45Å; E1081-E1084 PolarHBondContact O-N 3.28Å; E1081-E1084 VanDerWaalsContact O-N 3.15Å; G1082-E1084 VanDerWaalsContact C-N 3.31Å; E1084-E1086 PolarHBondContact O-N 3.05Å; E1084-E1087 PolarHBondContact O-N 3.12Å; E1084-E1088 WeakPolarHBondContact O-CB 3.39Å; E1084-E1088 PolarHBondContact O-N 3.24Å
1085	E	49	Very low	49.5	Very low	146 Å²	146	122.6 Å²	122.6	68%	0.682	64%	0.635	S	S	*	*	H	α-helix	trans	-58.9	-35.6	167.9	-68.9	-162.9	139.2	0	0	111.1	E1081 V1089	E1081-E1085 PolarHBondContact O-N 3.22Å; E1085-V1089 WeakPolarHBondContact O-CB 3.21Å; E1085-V1089 VanDerWaalsContact O-CG2 3.27Å; E1085-V1089 WeakPolarHBondContact O-CG2 3.22Å; E1085-V1089 PolarHBondContact O-N 3.06Å
1086	E	52.2	Low	50.2	Low	131 Å²	131	122.3 Å²	122.3	61%	0.612	63%	0.626	S	S	*	*	H	α-helix	trans	-71.6	-40.8	175.9	-152	-161.3	-179.5	0	0	113.1	G1082 E1084 E1088 K1090	G1082-E1086 PolarHBondContact O-N 2.96Å; E1084-E1086 PolarHBondContact O-N 3.05Å; E1086-E1088 VanDerWaalsContact C-N 3.34Å; E1086-K1090 WeakPolarHBondContact O-CB 3.38Å; E1086-K1090 PolarHBondContact O-N 3.44Å; E1086-K1090 VanDerWaalsContact O-N 3.14Å
1087	E	59.6	Low	50.4	Low	114 Å²	114	122 Å²	122	53%	0.533	62%	0.619	S	S	.	*	H	α-helix	trans	-69.4	-31.6	173.7	-146.8	-158.3	-155.3	0	0	111.9	K870 E1083 E1084 A1091	K870-E1087 WeakPolarHBondContact CE-OE2 3.25Å; K870-E1087 IonicContact NZ-OE1 2.77Å; K870-E1087 PolarHBondContact NZ-OE1 3.36Å; K870-E1087 IonicContact NZ-OE2 2.64Å; K870-E1087 PolarHBondContact NZ-OE2 3.15Å; E1083-E1087 PolarHBondContact O-N 2.88Å; E1084-E1087 PolarHBondContact O-N 3.12Å; E1087-A1091 WeakPolarHBondContact O-CB 3.42Å; E1087-A1091 PolarHBondContact O-N 2.82Å
1088	E	61.7	Low	50.6	Low	119 Å²	119	119.7 Å²	119.7	56%	0.556	61%	0.612	S	S	*	*	H	α-helix	trans	-73.3	-47.2	177.2	-177.5	161.2	174.4	0	0	112.6	E1084 E1086 K1090 A1091 Q1092	E1084-E1088 WeakPolarHBondContact O-CB 3.39Å; E1084-E1088 PolarHBondContact O-N 3.24Å; E1086-E1088 VanDerWaalsContact C-N 3.34Å; E1088-K1090 PolarHBondContact O-N 2.8Å; E1088-A1091 WeakPolarHBondContact O-CA 3.31Å; E1088-A1091 WeakPolarHBondContact O-CB 3.43Å; E1088-A1091 PolarHBondContact O-N 2.88Å; E1088-Q1092 HydrophobicContact CG-CG 4.26Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.39Å; E1088-Q1092 PolarHBondContact O-N 2.97Å; E1088-Q1092 PolarHBondContact OE1-NE2 3.37Å
1089	V	63.9	Low	50.6	Low	82 Å²	82	116 Å²	116	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-57.8	-37.5	173.5	167.2	0	0	0	0	110.8	E1085 L1093	E1085-V1089 WeakPolarHBondContact O-CB 3.21Å; E1085-V1089 VanDerWaalsContact O-CG2 3.27Å; E1085-V1089 WeakPolarHBondContact O-CG2 3.22Å; E1085-V1089 PolarHBondContact O-N 3.06Å; V1089-L1093 HydrophobicContact CG1-CD1 4.12Å; V1089-L1093 WeakPolarHBondContact O-CB 3.42Å; V1089-L1093 PolarHBondContact O-N 3Å
1090	K	66.4	Low	50.6	Low	135 Å²	135	112.7 Å²	112.7	59%	0.587	60%	0.6	S	S	*	*	H	α-helix	trans	-72.5	-27.9	176.8	-163.3	175.2	-140.6	139.1	0	113.3	E1086 E1088 S1094	E1086-K1090 WeakPolarHBondContact O-CB 3.38Å; E1086-K1090 PolarHBondContact O-N 3.44Å; E1086-K1090 VanDerWaalsContact O-N 3.14Å; E1088-K1090 PolarHBondContact O-N 2.8Å; K1090-S1094 PolarHBondContact O-N 2.88Å
1091	A	65	Low	50.1	Low	48 Å²	48	113.1 Å²	113.1	40%	0.397	61%	0.607	S	S	.	*	H	α-helix	trans	-74.1	-49.1	170.3	0	0	0	0	0	111.2	E1087 E1088 L1093 S1094 D1095	E1087-A1091 WeakPolarHBondContact O-CB 3.42Å; E1087-A1091 PolarHBondContact O-N 2.82Å; E1088-A1091 WeakPolarHBondContact O-CA 3.31Å; E1088-A1091 WeakPolarHBondContact O-CB 3.43Å; E1088-A1091 PolarHBondContact O-N 2.88Å; A1091-L1093 VanDerWaalsContact C-N 3.3Å; A1091-L1093 PolarHBondContact O-N 2.88Å; A1091-S1094 WeakPolarHBondContact O-CA 3.41Å; A1091-S1094 WeakPolarHBondContact O-CB 3.42Å; A1091-S1094 PolarHBondContact O-N 2.95Å; A1091-S1094 PolarHBondContact O-OG 3.24Å; A1091-D1095 PolarHBondContact O-N 3.04Å
1092	Q	61.3	Low	49.6	Very low	99 Å²	99	112 Å²	112	46%	0.463	61%	0.61	S	S	.	*	H	α-helix	trans	-58.3	-41.3	176.7	-67.2	-179.1	16.7	0	0	111.3	E1088 S1094 D1095 F1096	E1088-Q1092 HydrophobicContact CG-CG 4.26Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.39Å; E1088-Q1092 PolarHBondContact O-N 2.97Å; E1088-Q1092 PolarHBondContact OE1-NE2 3.37Å; Q1092-S1094 PolarHBondContact O-N 3.07Å; Q1092-D1095 PolarHBondContact O-N 3.45Å; Q1092-F1096 WeakPolarHBondContact O-CD2 3.33Å
1093	L	58.9	Low	49.1	Very low	100 Å²	100	117 Å²	117	52%	0.524	62%	0.624	S	S	.	*	H	α-helix	trans	-60.6	-30.4	172.2	-89.8	162.9	0	0	0	113.6	V1089 A1091 D1095 F1096 L1097	V1089-L1093 HydrophobicContact CG1-CD1 4.12Å; V1089-L1093 WeakPolarHBondContact O-CB 3.42Å; V1089-L1093 PolarHBondContact O-N 3Å; A1091-L1093 VanDerWaalsContact C-N 3.3Å; A1091-L1093 PolarHBondContact O-N 2.88Å; L1093-D1095 VanDerWaalsContact C-N 3.32Å; L1093-D1095 PolarHBondContact O-N 3.22Å; L1093-F1096 PolarHBondContact O-N 3.37Å; L1093-L1097 PolarHBondContact O-N 2.85Å
1094	S	55.8	Low	48.6	Very low	67 Å²	67	114.5 Å²	114.5	47%	0.469	62%	0.619	S	S	.	*	H	α-helix	trans	-73.1	-23	-178.6	74.9	0	0	0	0	113.8	K1090 A1091 Q1092 F1096	K1090-S1094 PolarHBondContact O-N 2.88Å; A1091-S1094 WeakPolarHBondContact O-CA 3.41Å; A1091-S1094 WeakPolarHBondContact O-CB 3.42Å; A1091-S1094 PolarHBondContact O-N 2.95Å; A1091-S1094 PolarHBondContact O-OG 3.24Å; Q1092-S1094 PolarHBondContact O-N 3.07Å; S1094-F1096 VanDerWaalsContact C-N 3.33Å
1095	D	58	Low	47.9	Very low	138 Å²	138	117.5 Å²	117.5	74%	0.738	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-13.2	173.8	-66.7	-36.1	0	0	0	112.9	A1091 Q1092 L1093	A1091-D1095 PolarHBondContact O-N 3.04Å; Q1092-D1095 PolarHBondContact O-N 3.45Å; L1093-D1095 VanDerWaalsContact C-N 3.32Å; L1093-D1095 PolarHBondContact O-N 3.22Å
1096	F	47.4	Very low	47.1	Very low	172 Å²	172	113.4 Å²	113.4	75%	0.754	63%	0.628	S	S	*	*	S	Bend	trans	-101.5	-2.5	175.3	-63.8	-66.4	0	0	0	114.1	Q1092 L1093 S1094	Q1092-F1096 WeakPolarHBondContact O-CD2 3.33Å; L1093-F1096 PolarHBondContact O-N 3.37Å; S1094-F1096 VanDerWaalsContact C-N 3.33Å
1097	L	38.9	Very low	46.3	Very low	124 Å²	124	113.6 Å²	113.6	65%	0.649	63%	0.634	S	S	*	*	S	Bend	trans	-79.8	136	170	-69.1	174.2	0	0	0	109.7	L1093	L1093-L1097 PolarHBondContact O-N 2.85Å
1098	P	36.4	Very low	45.5	Very low	106 Å²	106	109.9 Å²	109.9	69%	0.688	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-61.2	141.6	172.7	26.7	-33.7	0	0	0	109.8
1099	P	39.7	Very low	44.3	Very low	109 Å²	109	108.8 Å²	108.8	71%	0.708	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-58.9	141	175	26.3	-34.3	0	0	0	109.3	T1101	P1099-T1101 PolarHBondContact O-N 3.44Å
1100	P	36.9	Very low	43	Very low	123 Å²	123	107.4 Å²	107.4	80%	0.799	61%	0.61	S	S	*	*			trans	-62.6	107.9	-174.3	24.3	-33.7	0	0	0	110.7	T1102	P1100-T1102 PolarHBondContact O-N 3.3Å
1101	T	30.7	Very low	41.7	Very low	110 Å²	110	104.8 Å²	104.8	68%	0.675	60%	0.601	S	S	*	*			trans	-53.3	125.5	178.4	-54.3	0	0	0	0	109.6	P1099 L1103	P1099-T1101 PolarHBondContact O-N 3.44Å; T1101-L1103 VanDerWaalsContact C-N 3.28Å; T1101-L1103 PolarHBondContact O-N 2.83Å
1102	T	29.2	Very low	40.7	Very low	124 Å²	124	109.7 Å²	109.7	76%	0.761	62%	0.615	S	S	*	*			trans	-77.5	82.6	-179.7	-55.7	0	0	0	0	109.2	P1100 V1104	P1100-T1102 PolarHBondContact O-N 3.3Å; T1102-V1104 HydrophobicContact CG2-CG2 4.11Å; T1102-V1104 PolarHBondContact O-N 2.98Å
1103	L	28.3	Very low	39.8	Very low	160 Å²	160	108 Å²	108	84%	0.838	61%	0.609	S	S	*	*			trans	-64.9	122.2	168.7	-72.4	172.5	0	0	0	109	T1101	T1101-L1103 VanDerWaalsContact C-N 3.28Å; T1101-L1103 PolarHBondContact O-N 2.83Å
1104	V	34.5	Very low	38.8	Very low	108 Å²	108	107.2 Å²	107.2	66%	0.655	61%	0.61	S	S	*	*			trans	-117.1	138.1	174.4	-167.3	0	0	0	0	106.6	T1102	T1102-V1104 HydrophobicContact CG2-CG2 4.11Å; T1102-V1104 PolarHBondContact O-N 2.98Å
1105	L	31.9	Very low	38.3	Very low	152 Å²	152	107.8 Å²	107.8	80%	0.796	61%	0.612	S	S	*	*			trans	72.7	131.1	-176.5	-40.7	177.7	0	0	0	113
1106	A	32.1	Very low	37.9	Very low	60 Å²	60	107.1 Å²	107.1	50%	0.496	61%	0.608	S	S	.	*			cis	-153.6	141.6	-4.9	0	0	0	0	0	112.6	N1108	A1106-N1108 PolarHBondContact O-N 2.73Å
1107	D	35.7	Very low	38	Very low	136 Å²	136	100.6 Å²	100.6	73%	0.727	59%	0.587	S	S	*	*			trans	58.1	41.4	136	-47.2	-18.2	0	0	0	121.4
1108	N	42.1	Very low	38.6	Very low	36 Å²	36	96.1 Å²	96.1	19%	0.193	57%	0.565	C	S	.	*			trans	-150.9	121.5	137.2	-166.6	-58.5	0	0	0	111.9	A1106 L1110 M1111	A1106-N1108 PolarHBondContact O-N 2.73Å; N1108-L1110 WeakPolarHBondContact OD1-CB 3.3Å; N1108-L1110 PolarHBondContact OD1-N 3.04Å; N1108-M1111 HydrophobicContact CB-CG 4.36Å
1109	P	36.6	Very low	39.3	Very low	95 Å²	95	91.3 Å²	91.3	62%	0.617	53%	0.534	S	S	*	.	S	Bend	trans	-76.6	-26.4	-178.1	30.4	-34.6	0	0	0	114.5
1110	L	36.9	Very low	40.2	Very low	54 Å²	54	91.8 Å²	91.8	28%	0.283	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-69.7	-37.7	-177.3	-71.8	166.5	0	0	0	111.9	N1108 H1112 M1121	N1108-L1110 WeakPolarHBondContact OD1-CB 3.3Å; N1108-L1110 PolarHBondContact OD1-N 3.04Å; L1110-H1112 PolarHBondContact O-N 3.48Å; L1110-M1121 HydrophobicContact CD2-CE 3.72Å; L1110-M1121 HydrophobicContact CD2-SD 3.83Å
1111	M	39.6	Very low	41	Very low	79 Å²	79	88.8 Å²	88.8	39%	0.389	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-71.1	-9.1	-178.3	-67.4	-64	-70.2	0	0	114.4	V133 I137 N1108	V133-M1111 HydrophobicContact CG1-CE 4.35Å; I137-M1111 HydrophobicContact CD1-CE 4.01Å; I137-M1111 HydrophobicContact CD1-SD 4.38Å; I137-M1111 HydrophobicContact CG1-CE 3.91Å; N1108-M1111 HydrophobicContact CB-CG 4.36Å
1112	H	43.5	Very low	42.3	Very low	151 Å²	151	84.4 Å²	84.4	70%	0.699	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-121.5	5.2	-176.5	-60.8	-33.3	0	0	0	113.7	L1110	L1110-H1112 PolarHBondContact O-N 3.48Å
1113	L	42	Very low	43.6	Very low	64 Å²	64	78.9 Å²	78.9	34%	0.335	44%	0.44	S	S	.	.	S	Bend	trans	-73.6	134.9	163.8	-72.4	173.3	0	0	0	109.3	A1117 T1118 M1121	L1113-A1117 HydrophobicContact CB-CB 4.2Å; L1113-A1117 HydrophobicContact CD2-CB 4.05Å; L1113-T1118 WeakPolarHBondContact CB-OG1 3.47Å; L1113-T1118 PolarHBondContact O-OG1 2.9Å; L1113-M1121 HydrophobicContact CD1-SD 3.98Å
1114	P	37.8	Very low	45.4	Very low	83 Å²	83	78 Å²	78	54%	0.539	43%	0.432	S	S	.	.			trans	-56.7	150.8	166.8	-24.6	34.2	0	0	0	110.7	D1116 A1117 T1118	P1114-D1116 PolarHBondContact O-N 3.18Å; P1114-A1117 WeakPolarHBondContact O-CA 3.41Å; P1114-A1117 WeakPolarHBondContact O-CB 3.19Å; P1114-A1117 PolarHBondContact O-N 3.15Å; P1114-T1118 PolarHBondContact O-N 3.09Å; P1114-T1118 PolarHBondContact O-OG1 3.4Å
1115	P	46.8	Very low	46.7	Very low	80 Å²	80	75.5 Å²	75.5	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-52.2	-35.6	-176.8	-30.2	36.2	0	0	0	114.6	A1117 G1119	P1115-A1117 VanDerWaalsContact C-N 3.27Å; P1115-A1117 PolarHBondContact O-N 3.23Å; P1115-G1119 WeakPolarHBondContact O-CA 3.28Å; P1115-G1119 PolarHBondContact O-N 2.84Å
1116	D	48.6	Very low	48	Very low	123 Å²	123	69 Å²	69	66%	0.658	38%	0.38	S	S	*	.	H	α-helix	trans	-64	-23.8	173.8	-82.1	22.5	0	0	0	115.1	P1114 K1120	P1114-D1116 PolarHBondContact O-N 3.18Å; D1116-K1120 WeakPolarHBondContact O-CD 3Å; D1116-K1120 VanDerWaalsContact O-CG 3.23Å; D1116-K1120 WeakPolarHBondContact O-CG 3.27Å; D1116-K1120 PolarHBondContact O-NZ 3.29Å
1117	A	50.3	Low	49.7	Very low	36 Å²	36	69.6 Å²	69.6	30%	0.298	38%	0.375	S	S	.	.	H	α-helix	trans	-96.9	-42.3	-179.1	0	0	0	0	0	110.7	L1113 P1114 P1115 G1119 K1120 M1121	L1113-A1117 HydrophobicContact CB-CB 4.2Å; L1113-A1117 HydrophobicContact CD2-CB 4.05Å; P1114-A1117 WeakPolarHBondContact O-CA 3.41Å; P1114-A1117 WeakPolarHBondContact O-CB 3.19Å; P1114-A1117 PolarHBondContact O-N 3.15Å; P1115-A1117 VanDerWaalsContact C-N 3.27Å; P1115-A1117 PolarHBondContact O-N 3.23Å; A1117-G1119 VanDerWaalsContact C-N 3.32Å; A1117-K1120 PolarHBondContact O-N 2.84Å; A1117-M1121 PolarHBondContact O-N 3.29Å
1118	T	50.4	Low	51.1	Low	30 Å²	30	65.9 Å²	65.9	18%	0.184	36%	0.362	C	S	.	.	H	α-helix	trans	-58.6	-47.5	168.9	-35.8	0	0	0	0	109.9	L1113 P1114 K1120 M1121 L1122	L1113-T1118 WeakPolarHBondContact CB-OG1 3.47Å; L1113-T1118 PolarHBondContact O-OG1 2.9Å; P1114-T1118 PolarHBondContact O-N 3.09Å; P1114-T1118 PolarHBondContact O-OG1 3.4Å; T1118-K1120 VanDerWaalsContact C-N 3.3Å; T1118-K1120 PolarHBondContact O-N 3.18Å; T1118-M1121 PolarHBondContact O-N 3.38Å; T1118-L1122 HydrophobicContact CG2-CD1 4.24Å; T1118-L1122 HydrophobicContact CG2-CG 4.49Å; T1118-L1122 WeakPolarHBondContact O-CB 3.37Å; T1118-L1122 VanDerWaalsContact O-CG 3.31Å; T1118-L1122 WeakPolarHBondContact O-CG 3.4Å; T1118-L1122 PolarHBondContact O-N 3.23Å
1119	G	51.7	Low	52.1	Low	4 Å²	4	68 Å²	68	4%	0.041	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-28.7	178.6	0	0	0	0	0	114.5	Q236 P1115 A1117 A1123	Q236-G1119 VanDerWaalsContact NE2-CA 3.33Å; P1115-G1119 WeakPolarHBondContact O-CA 3.28Å; P1115-G1119 PolarHBondContact O-N 2.84Å; A1117-G1119 VanDerWaalsContact C-N 3.32Å; G1119-A1123 WeakPolarHBondContact O-CB 3.18Å; G1119-A1123 PolarHBondContact O-N 3.24Å
1120	K	57.7	Low	53.4	Low	120 Å²	120	66.3 Å²	66.3	52%	0.522	36%	0.362	S	S	.	.	H	α-helix	trans	-73.7	-46.3	171.9	-79.5	169.6	-170.2	132.9	0	112	D1116 A1117 T1118 L1122 A1123 E1124	D1116-K1120 WeakPolarHBondContact O-CD 3Å; D1116-K1120 VanDerWaalsContact O-CG 3.23Å; D1116-K1120 WeakPolarHBondContact O-CG 3.27Å; D1116-K1120 PolarHBondContact O-NZ 3.29Å; A1117-K1120 PolarHBondContact O-N 2.84Å; T1118-K1120 VanDerWaalsContact C-N 3.3Å; T1118-K1120 PolarHBondContact O-N 3.18Å; K1120-L1122 VanDerWaalsContact C-N 3.33Å; K1120-L1122 PolarHBondContact O-N 3.34Å; K1120-A1123 PolarHBondContact O-N 2.9Å; K1120-E1124 WeakPolarHBondContact O-CB 3.47Å; K1120-E1124 WeakPolarHBondContact O-CG 2.97Å; K1120-E1124 PolarHBondContact O-N 2.8Å
1121	M	54.9	Low	55	Low	59 Å²	59	69.7 Å²	69.7	29%	0.291	38%	0.377	S	S	.	.	H	α-helix	trans	-60	-44	176.1	-179.4	174.7	166.6	0	0	111.3	L1110 L1113 A1117 T1118 E1124 I1125 F1379	L1110-M1121 HydrophobicContact CD2-CE 3.72Å; L1110-M1121 HydrophobicContact CD2-SD 3.83Å; L1113-M1121 HydrophobicContact CD1-SD 3.98Å; A1117-M1121 PolarHBondContact O-N 3.29Å; T1118-M1121 PolarHBondContact O-N 3.38Å; M1121-E1124 PolarHBondContact O-N 2.84Å; M1121-I1125 HydrophobicContact CG-CD1 4.23Å; M1121-I1125 VanDerWaalsContact O-CD1 3.24Å; M1121-I1125 WeakPolarHBondContact O-CD1 3.42Å; M1121-I1125 VanDerWaalsContact O-CG1 3.25Å; M1121-I1125 WeakPolarHBondContact O-CG1 3.38Å; M1121-I1125 PolarHBondContact O-N 3.43Å; M1121-F1379 HydrophobicContact CE-CE2 3.55Å; M1121-F1379 HydrophobicContact CE-CZ 3.93Å
1122	L	57.2	Low	56.2	Low	19 Å²	19	69.9 Å²	69.9	10%	0.099	38%	0.376	C	S	.	.	H	α-helix	trans	-66.6	-40.3	174.8	-65	-179.3	0	0	0	112.3	V121 I124 T1118 K1120 E1124 I1125 E1126	V121-L1122 HydrophobicContact CG1-CD1 4.4Å; I124-L1122 HydrophobicContact CD1-CD1 4.49Å; I124-L1122 HydrophobicContact CD1-CD2 3.85Å; T1118-L1122 HydrophobicContact CG2-CD1 4.24Å; T1118-L1122 HydrophobicContact CG2-CG 4.49Å; T1118-L1122 WeakPolarHBondContact O-CB 3.37Å; T1118-L1122 VanDerWaalsContact O-CG 3.31Å; T1118-L1122 WeakPolarHBondContact O-CG 3.4Å; T1118-L1122 PolarHBondContact O-N 3.23Å; K1120-L1122 VanDerWaalsContact C-N 3.33Å; K1120-L1122 PolarHBondContact O-N 3.34Å; L1122-E1124 PolarHBondContact O-N 2.98Å; L1122-I1125 HydrophobicContact CD2-CD1 4.3Å; L1122-I1125 PolarHBondContact O-N 2.83Å; L1122-E1126 WeakPolarHBondContact O-CB 3.21Å; L1122-E1126 WeakPolarHBondContact O-CG 3.19Å; L1122-E1126 PolarHBondContact O-N 2.96Å
1123	A	57.9	Low	57	Low	8 Å²	8	66.1 Å²	66.1	7%	0.066	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-39.2	175	0	0	0	0	0	112.8	G1119 K1120 I1125 E1126 D1127	G1119-A1123 WeakPolarHBondContact O-CB 3.18Å; G1119-A1123 PolarHBondContact O-N 3.24Å; K1120-A1123 PolarHBondContact O-N 2.9Å; A1123-I1125 VanDerWaalsContact C-N 3.28Å; A1123-I1125 PolarHBondContact O-N 3.05Å; A1123-E1126 PolarHBondContact O-N 2.83Å; A1123-D1127 WeakPolarHBondContact O-CB 3.41Å; A1123-D1127 PolarHBondContact O-N 2.92Å
1124	E	65.9	Low	58	Low	141 Å²	141	65.6 Å²	65.6	66%	0.659	36%	0.363	S	S	*	.	H	α-helix	trans	-62.6	-34.9	174.9	-74.1	167.9	-164.7	0	0	111.7	K1120 M1121 L1122 A1128	K1120-E1124 WeakPolarHBondContact O-CB 3.47Å; K1120-E1124 WeakPolarHBondContact O-CG 2.97Å; K1120-E1124 PolarHBondContact O-N 2.8Å; M1121-E1124 PolarHBondContact O-N 2.84Å; L1122-E1124 PolarHBondContact O-N 2.98Å; E1124-A1128 WeakPolarHBondContact O-CB 3.5Å; E1124-A1128 PolarHBondContact O-N 2.84Å
1125	I	60.7	Low	59.3	Low	56 Å²	56	67.6 Å²	67.6	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-73.7	-44.6	174	-62.4	155.8	0	0	0	111.3	M1121 L1122 A1123 A1128 V1129 F1379	M1121-I1125 HydrophobicContact CG-CD1 4.23Å; M1121-I1125 VanDerWaalsContact O-CD1 3.24Å; M1121-I1125 WeakPolarHBondContact O-CD1 3.42Å; M1121-I1125 VanDerWaalsContact O-CG1 3.25Å; M1121-I1125 WeakPolarHBondContact O-CG1 3.38Å; M1121-I1125 PolarHBondContact O-N 3.43Å; L1122-I1125 HydrophobicContact CD2-CD1 4.3Å; L1122-I1125 PolarHBondContact O-N 2.83Å; A1123-I1125 VanDerWaalsContact C-N 3.28Å; A1123-I1125 PolarHBondContact O-N 3.05Å; I1125-A1128 PolarHBondContact O-N 2.82Å; I1125-V1129 HydrophobicContact CG2-CG2 4.4Å; I1125-V1129 WeakPolarHBondContact O-CG2 3.37Å; I1125-V1129 PolarHBondContact O-N 3.27Å; I1125-F1379 HydrophobicContact CD1-CE1 4.5Å; I1125-F1379 HydrophobicContact CD1-CE2 3.45Å; I1125-F1379 VanDerWaalsContact CD1-CE2 3.45Å; I1125-F1379 HydrophobicContact CD1-CZ 3.36Å; I1125-F1379 HydrophobicContact CG1-CE2 4.24Å; I1125-F1379 HydrophobicContact CG1-CZ 4.46Å
1126	E	60.6	Low	60	Low	15 Å²	15	68.5 Å²	68.5	7%	0.07	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-39.9	178	-77.4	-177.4	-122.4	0	0	112.4	A123 R217 H221 L1122 A1123 V1129 L1130	A123-E1126 VanDerWaalsContact CB-OE1 3.23Å; A123-E1126 WeakPolarHBondContact CB-OE1 3.44Å; R217-E1126 IonicContact NH2-OE2 2.73Å; R217-E1126 PolarHBondContact NH2-OE2 3.3Å; H221-E1126 IonicContact NE2-OE2 2.92Å; H221-E1126 PolarHBondContact NE2-OE2 2.95Å; L1122-E1126 WeakPolarHBondContact O-CB 3.21Å; L1122-E1126 WeakPolarHBondContact O-CG 3.19Å; L1122-E1126 PolarHBondContact O-N 2.96Å; A1123-E1126 PolarHBondContact O-N 2.83Å; E1126-V1129 PolarHBondContact O-N 2.84Å; E1126-L1130 WeakPolarHBondContact O-CB 3.2Å; E1126-L1130 PolarHBondContact O-N 2.93Å
1127	D	66.2	Low	60.4	Low	73 Å²	73	64.6 Å²	64.6	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-42.6	174.3	-79.2	-38.8	0	0	0	110.4	R231 A1123 L1130 E1131	R231-D1127 IonicContact CZ-OD1 3.02Å; R231-D1127 IonicContact CZ-OD2 2.69Å; R231-D1127 IonicContact NE-OD2 2.71Å; R231-D1127 PolarHBondContact NE-OD2 3.32Å; R231-D1127 IonicContact NH2-OD1 3.87Å; R231-D1127 PolarHBondContact NH2-OD1 2.8Å; R231-D1127 IonicContact NH2-OD2 2.73Å; R231-D1127 PolarHBondContact NH2-OD2 2.87Å; R231-D1127 VanDerWaalsContact NH2-OD2 3.13Å; A1123-D1127 WeakPolarHBondContact O-CB 3.41Å; A1123-D1127 PolarHBondContact O-N 2.92Å; D1127-L1130 PolarHBondContact O-N 3Å; D1127-E1131 WeakPolarHBondContact O-CB 3.42Å; D1127-E1131 PolarHBondContact O-N 3.07Å
1128	A	65.4	Low	60.5	Low	57 Å²	57	68.2 Å²	68.2	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-39	175.7	0	0	0	0	0	113.7	E1124 I1125 E1131 E1132	E1124-A1128 WeakPolarHBondContact O-CB 3.5Å; E1124-A1128 PolarHBondContact O-N 2.84Å; I1125-A1128 PolarHBondContact O-N 2.82Å; A1128-E1131 PolarHBondContact O-N 3.43Å; A1128-E1132 PolarHBondContact O-N 2.8Å
1129	V	64.1	Low	60.6	Low	82 Å²	82	71 Å²	71	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-68.6	-39.6	175.3	169.6	0	0	0	0	111	I1125 E1126 E1131 E1132 V1133	I1125-V1129 HydrophobicContact CG2-CG2 4.4Å; I1125-V1129 WeakPolarHBondContact O-CG2 3.37Å; I1125-V1129 PolarHBondContact O-N 3.27Å; E1126-V1129 PolarHBondContact O-N 2.84Å; V1129-E1131 VanDerWaalsContact C-N 3.33Å; V1129-E1132 PolarHBondContact O-N 3.17Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.28Å; V1129-V1133 PolarHBondContact O-N 2.93Å
1130	L	64.1	Low	60.2	Low	58 Å²	58	76.7 Å²	76.7	30%	0.304	41%	0.41	S	S	.	.	H	α-helix	trans	-69.8	-32.1	176.3	-169.6	64.6	0	0	0	111.6	H221 E1126 D1127 T1134	H221-L1130 HydrophobicContact CB-CD2 4.4Å; E1126-L1130 WeakPolarHBondContact O-CB 3.2Å; E1126-L1130 PolarHBondContact O-N 2.93Å; D1127-L1130 PolarHBondContact O-N 3Å; L1130-T1134 VanDerWaalsContact O-CB 3.26Å; L1130-T1134 WeakPolarHBondContact O-CB 3.26Å; L1130-T1134 PolarHBondContact O-N 3.16Å; L1130-T1134 PolarHBondContact O-OG1 3.05Å
1131	E	69.1	Low	59.2	Low	126 Å²	126	75.4 Å²	75.4	59%	0.589	42%	0.415	S	S	*	.	H	α-helix	trans	-65.7	-47.9	170.6	-166	163.8	-141.1	0	0	110.9	D1127 A1128 V1129 V1133 T1134 E1135	D1127-E1131 WeakPolarHBondContact O-CB 3.42Å; D1127-E1131 PolarHBondContact O-N 3.07Å; A1128-E1131 PolarHBondContact O-N 3.43Å; V1129-E1131 VanDerWaalsContact C-N 3.33Å; E1131-V1133 VanDerWaalsContact C-N 3.34Å; E1131-V1133 PolarHBondContact O-N 2.89Å; E1131-T1134 PolarHBondContact O-N 3.47Å; E1131-T1134 VanDerWaalsContact O-N 3.15Å; E1131-E1135 HydrophobicContact CG-CG 4.48Å; E1131-E1135 WeakPolarHBondContact O-CB 3.31Å; E1131-E1135 WeakPolarHBondContact O-CG 3.27Å; E1131-E1135 PolarHBondContact O-N 2.7Å
1132	E	64.7	Low	58.6	Low	83 Å²	83	82.8 Å²	82.8	39%	0.388	44%	0.439	S	S	.	.	H	α-helix	trans	-56.3	-47.1	173.9	-162.6	-137.8	140.1	0	0	111.2	A1128 V1129 T1134 R1136 R1287	A1128-E1132 PolarHBondContact O-N 2.8Å; V1129-E1132 PolarHBondContact O-N 3.17Å; E1132-T1134 VanDerWaalsContact C-N 3.33Å; E1132-T1134 PolarHBondContact O-N 3.26Å; E1132-R1136 WeakPolarHBondContact O-CB 3.27Å; E1132-R1136 PolarHBondContact O-N 3.04Å; E1132-R1136 IonicContact OE1-CZ 3.64Å; E1132-R1136 IonicContact OE1-NH1 3.62Å; E1132-R1136 PolarHBondContact OE1-NH1 3.01Å; E1132-R1287 IonicContact OE1-CZ 2.72Å; E1132-R1287 IonicContact OE1-NH2 3.36Å; E1132-R1287 PolarHBondContact OE1-NH2 2.89Å; E1132-R1287 IonicContact OE2-NH2 2.74Å; E1132-R1287 PolarHBondContact OE2-NH2 2.94Å
1133	V	61.6	Low	57.9	Low	71 Å²	71	90.1 Å²	90.1	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-38.4	179.6	170.1	0	0	0	0	111.5	V1129 E1131 A1137	V1129-V1133 WeakPolarHBondContact O-CG2 3.28Å; V1129-V1133 PolarHBondContact O-N 2.93Å; E1131-V1133 VanDerWaalsContact C-N 3.34Å; E1131-V1133 PolarHBondContact O-N 2.89Å; V1133-A1137 WeakPolarHBondContact O-CB 3.36Å; V1133-A1137 PolarHBondContact O-N 2.99Å
1134	T	62.1	Low	57.1	Low	53 Å²	53	94.3 Å²	94.3	33%	0.325	51%	0.507	S	S	.	.	H	α-helix	trans	-73.2	-47	179.9	-57.1	0	0	0	0	111.5	L1130 E1131 E1132 R1136 A1137 T1138	L1130-T1134 VanDerWaalsContact O-CB 3.26Å; L1130-T1134 WeakPolarHBondContact O-CB 3.26Å; L1130-T1134 PolarHBondContact O-N 3.16Å; L1130-T1134 PolarHBondContact O-OG1 3.05Å; E1131-T1134 PolarHBondContact O-N 3.47Å; E1131-T1134 VanDerWaalsContact O-N 3.15Å; E1132-T1134 VanDerWaalsContact C-N 3.33Å; E1132-T1134 PolarHBondContact O-N 3.26Å; T1134-R1136 VanDerWaalsContact C-N 3.32Å; T1134-R1136 PolarHBondContact O-N 3.47Å; T1134-A1137 PolarHBondContact O-N 2.88Å; T1134-T1138 WeakPolarHBondContact O-CG2 3.44Å; T1134-T1138 PolarHBondContact O-N 3.11Å; T1134-T1138 PolarHBondContact O-OG1 2.98Å
1135	E	65.2	Low	55.7	Low	125 Å²	125	95.1 Å²	95.1	58%	0.584	51%	0.511	S	S	*	.	H	α-helix	trans	-56.2	-48.9	173.8	-73.4	-161.5	144.2	0	0	110.3	E1131 A1137 T1138 S1139	E1131-E1135 HydrophobicContact CG-CG 4.48Å; E1131-E1135 WeakPolarHBondContact O-CB 3.31Å; E1131-E1135 WeakPolarHBondContact O-CG 3.27Å; E1131-E1135 PolarHBondContact O-N 2.7Å; E1135-A1137 VanDerWaalsContact C-N 3.3Å; E1135-A1137 PolarHBondContact O-N 2.87Å; E1135-T1138 WeakPolarHBondContact CA-OG1 3.47Å; E1135-T1138 CarbonylContact O-C 3.54Å; E1135-T1138 WeakPolarHBondContact O-CA 3.47Å; E1135-T1138 PolarHBondContact O-N 3.23Å; E1135-T1138 PolarHBondContact O-OG1 3.36Å; E1135-S1139 WeakPolarHBondContact O-CB 3.39Å; E1135-S1139 PolarHBondContact O-N 3.47Å
1136	R	61.1	Low	54.6	Low	100 Å²	100	99.9 Å²	99.9	38%	0.377	54%	0.536	S	S	.	.	H	α-helix	trans	-61.7	-32.5	179	-167.7	178.2	-157.4	93.1	20.7	113.6	E1132 T1134 S1139	E1132-R1136 WeakPolarHBondContact O-CB 3.27Å; E1132-R1136 PolarHBondContact O-N 3.04Å; E1132-R1136 IonicContact OE1-CZ 3.64Å; E1132-R1136 IonicContact OE1-NH1 3.62Å; E1132-R1136 PolarHBondContact OE1-NH1 3.01Å; T1134-R1136 VanDerWaalsContact C-N 3.32Å; T1134-R1136 PolarHBondContact O-N 3.47Å; R1136-S1139 PolarHBondContact O-OG 3.16Å
1137	A	56.8	Low	53.4	Low	41 Å²	41	109.2 Å²	109.2	34%	0.339	57%	0.572	S	S	.	*	H	α-helix	trans	-74.3	-31.3	172.3	0	0	0	0	0	112.6	V1133 T1134 E1135	V1133-A1137 WeakPolarHBondContact O-CB 3.36Å; V1133-A1137 PolarHBondContact O-N 2.99Å; T1134-A1137 PolarHBondContact O-N 2.88Å; E1135-A1137 VanDerWaalsContact C-N 3.3Å; E1135-A1137 PolarHBondContact O-N 2.87Å
1138	T	53.9	Low	52	Low	112 Å²	112	112.1 Å²	112.1	69%	0.687	59%	0.587	S	S	*	*	H	α-helix	trans	-83.8	-19.8	176.1	60.6	0	0	0	0	114.3	T1134 E1135 I1140	T1134-T1138 WeakPolarHBondContact O-CG2 3.44Å; T1134-T1138 PolarHBondContact O-N 3.11Å; T1134-T1138 PolarHBondContact O-OG1 2.98Å; E1135-T1138 WeakPolarHBondContact CA-OG1 3.47Å; E1135-T1138 CarbonylContact O-C 3.54Å; E1135-T1138 WeakPolarHBondContact O-CA 3.47Å; E1135-T1138 PolarHBondContact O-N 3.23Å; E1135-T1138 PolarHBondContact O-OG1 3.36Å; T1138-I1140 VanDerWaalsContact C-N 3.25Å; T1138-I1140 PolarHBondContact O-N 2.84Å
1139	S	51.8	Low	50.7	Low	87 Å²	87	114 Å²	114	61%	0.608	60%	0.595	S	S	*	*			trans	-83.8	9.6	-179	72.4	0	0	0	0	114.3	E1135 R1136	E1135-S1139 WeakPolarHBondContact O-CB 3.39Å; E1135-S1139 PolarHBondContact O-N 3.47Å; R1136-S1139 PolarHBondContact O-OG 3.16Å
1140	I	42.4	Very low	49.4	Very low	124 Å²	124	114.4 Å²	114.4	64%	0.636	61%	0.607	S	S	*	*	S	Bend	trans	-79.2	125.3	175.6	-57.9	178.5	0	0	0	108.4	T1138	T1138-I1140 VanDerWaalsContact C-N 3.25Å; T1138-I1140 PolarHBondContact O-N 2.84Å
1141	P	37.8	Very low	48.3	Very low	94 Å²	94	117.4 Å²	117.4	61%	0.61	63%	0.627	S	S	*	*			trans	-57	141.8	-178.4	-27.6	35.9	0	0	0	113.5	E1143	P1141-E1143 HydrophobicContact CB-CG 4.25Å; P1141-E1143 PolarHBondContact O-N 2.86Å
1142	R	43.2	Very low	46.9	Very low	214 Å²	214	118.9 Å²	118.9	81%	0.808	64%	0.639	S	S	*	*	S	Bend	trans	-78	20.7	-169.7	-139.1	-179.8	-167.1	152.2	7.6	114.6	A1144 E1145	R1142-A1144 VanDerWaalsContact C-N 3.33Å; R1142-A1144 PolarHBondContact O-N 3.18Å; R1142-E1145 IonicContact NE-OE2 2.71Å
1143	E	40.8	Very low	45.5	Very low	172 Å²	172	121.2 Å²	121.2	80%	0.804	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	10.9	-158.5	-61.1	-179.2	150	0	0	113.8	P1141	P1141-E1143 HydrophobicContact CB-CG 4.25Å; P1141-E1143 PolarHBondContact O-N 2.86Å
1144	A	40.8	Very low	44.4	Very low	96 Å²	96	127.7 Å²	127.7	79%	0.793	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-6.3	176.8	0	0	0	0	0	114.5	R1142 I1146	R1142-A1144 VanDerWaalsContact C-N 3.33Å; R1142-A1144 PolarHBondContact O-N 3.18Å; A1144-I1146 VanDerWaalsContact C-N 3.34Å; A1144-I1146 PolarHBondContact O-N 3.44Å
1145	E	38.4	Very low	42.9	Very low	159 Å²	159	131.7 Å²	131.7	74%	0.743	70%	0.696	S	S	*	*			trans	-84.7	64.4	-178.2	-67	-170.8	138.1	0	0	112.7	R1142	R1142-E1145 IonicContact NE-OE2 2.71Å
1146	I	36.4	Very low	41.6	Very low	155 Å²	155	133.4 Å²	133.4	80%	0.795	71%	0.71	S	S	*	*			trans	-127.8	80.8	169.6	-50.4	-178.3	0	0	0	111	A1144	A1144-I1146 VanDerWaalsContact C-N 3.34Å; A1144-I1146 PolarHBondContact O-N 3.44Å
1147	Y	34.9	Very low	40.3	Very low	212 Å²	212	134.1 Å²	134.1	83%	0.831	73%	0.725	S	S	*	*			trans	-150.4	100	160.7	-156.8	-90.7	0	0	0	111.6	P1149	Y1147-P1149 HydrophobicContact CE1-CB 4.38Å
1148	D	37.4	Very low	39.3	Very low	133 Å²	133	137.2 Å²	137.2	71%	0.711	74%	0.744	S	S	*	*			trans	-111.5	109.5	177.7	175.7	19.7	0	0	0	110.7	A1150	D1148-A1150 PolarHBondContact O-N 2.95Å
1149	P	38.2	Very low	38.6	Very low	98 Å²	98	136.4 Å²	136.4	64%	0.636	74%	0.743	S	S	*	*			trans	-95.1	86.5	176.1	35.7	-31	0	0	0	112.7	Y1147	Y1147-P1149 HydrophobicContact CE1-CB 4.38Å
1150	A	37.7	Very low	37.8	Very low	90 Å²	90	138.1 Å²	138.1	74%	0.744	75%	0.75	S	S	*	*			trans	68.3	101.7	155.5	0	0	0	0	0	119	D1148	D1148-A1150 PolarHBondContact O-N 2.95Å
1151	V	39.3	Very low	37.4	Very low	120 Å²	120	139.6 Å²	139.6	73%	0.727	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-96.5	116.4	149.4	-179.1	0	0	0	0	108.9
1152	D	41.2	Very low	37.3	Very low	158 Å²	158	140 Å²	140	85%	0.845	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-72.2	128.9	175.7	-104	-38.4	0	0	0	111.4
1153	N	34.4	Very low	37	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-83	118.7	-179.6	-86.2	-77.7	0	0	0	111.8
1154	F	37.7	Very low	36.8	Very low	208 Å²	208	131.2 Å²	131.2	91%	0.912	76%	0.755	S	S	*	*			trans	-129.3	100.3	151.7	-95.9	-84.9	0	0	0	110.5
1155	N	32.2	Very low	36.6	Very low	136 Å²	136	133.5 Å²	133.5	73%	0.727	75%	0.754	S	S	*	*			trans	-70.6	137	160.8	-77	-51.4	0	0	0	109
1156	D	36.6	Very low	36.5	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	76%	0.759	S	S	*	*				-148.8	160.2	128.4	-129.8	-33.4	0	0	0	111.4
1157	T	35.2	Very low	36.2	Very low	115 Å²	115	135.1 Å²	135.1	71%	0.706	76%	0.763	S	S	*	*			trans	-114.5	147.6	-158.3	59.6	0	0	0	0	115.3
1158	S	36.1	Very low	36	Very low	105 Å²	105	132 Å²	132	73%	0.734	77%	0.767	S	S	*	*				138.8	150.9	128.3	66.1	0	0	0	0	116.6
1159	S	37.4	Very low	35.9	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	76%	0.764	S	S	*	*			trans	54.4	102.9	166.7	46.6	0	0	0	0	118.5
1160	T	35.2	Very low	35.5	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	78%	0.775	S	S	*	*				91.6	131.6	59.4	56.2	0	0	0	0	115.2
1161	D	35.2	Very low	35.3	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	77%	0.774	S	S	*	*			trans	67.6	134.8	162.7	-53.4	-19.9	0	0	0	117.2
1162	S	35.8	Very low	35	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	78%	0.779	S	S	*	*			cis	-167.5	156.3	6.8	44.7	0	0	0	0	110.8
1163	S	35.9	Very low	34.6	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	78%	0.782	S	S	*	*			trans	43.6	136.3	159.7	56.3	0	0	0	0	119.6
1164	S	37	Very low	34.5	Very low	97 Å²	97	138 Å²	138	68%	0.678	79%	0.785	S	S	*	*			cis	179.8	158.9	21	37.2	0	0	0	0	107.9
1165	D	36.8	Very low	34.2	Very low	144 Å²	144	136.3 Å²	136.3	77%	0.77	78%	0.777	S	S	*	*			cis	-166.5	-174.8	-11.4	-92.8	-24.8	0	0	0	108.3
1166	N	35.3	Very low	34.2	Very low	161 Å²	161	137.6 Å²	137.6	86%	0.861	78%	0.777	S	S	*	*			trans	62.7	90.5	166.4	-68.9	-11.5	0	0	0	118.6
1167	Q	30.7	Very low	34.1	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	77%	0.767	S	S	*	*			trans	-77.5	150.7	150.9	-63.4	170.7	-17.5	0	0	110.5
1168	T	31.8	Very low	34	Very low	148 Å²	148	140.5 Å²	140.5	91%	0.908	77%	0.774	S	S	*	*			trans	-101.5	113.3	158.4	47.5	0	0	0	0	109.5
1169	S	34.5	Very low	33.8	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	78%	0.778	S	S	*	*			trans	-87.1	156.7	179	54.9	0	0	0	0	113
1170	V	29.8	Very low	33.5	Very low	143 Å²	143	144.9 Å²	144.9	87%	0.867	79%	0.785	S	S	*	*			trans	-64.5	139.2	166.3	-179.9	0	0	0	0	109.3
1171	I	34.2	Very low	33.4	Very low	143 Å²	143	146.5 Å²	146.5	73%	0.733	79%	0.787	S	S	*	*			trans	-135.8	131.6	169	-67.4	-177	0	0	0	108.7
1172	E	31.2	Very low	33.1	Very low	177 Å²	177	144.3 Å²	144.3	83%	0.827	78%	0.78	S	S	*	*			trans	-77.3	154.4	175.5	-59.8	165.9	108.4	0	0	111.5
1173	L	32.8	Very low	32.8	Very low	175 Å²	175	145.4 Å²	145.4	92%	0.916	78%	0.782	S	S	*	*			trans	-135.9	101.5	167.7	-90.9	171.2	0	0	0	111
1174	T	32.7	Very low	32.6	Very low	123 Å²	123	147.3 Å²	147.3	76%	0.755	78%	0.784	S	S	*	*			trans	-122	135.6	157.6	55.7	0	0	0	0	109.8
1175	K	31.5	Very low	32.4	Very low	174 Å²	174	151.5 Å²	151.5	76%	0.757	79%	0.793	S	S	*	*			trans	46.4	117	159.2	-58.6	171.8	-176	174.9	0	117.5
1176	F	32.7	Very low	32.1	Very low	162 Å²	162	151.5 Å²	151.5	71%	0.711	79%	0.792	S	S	*	*				-159.6	-179.3	108.2	-123.2	-92.5	0	0	0	113	L1310	F1176-L1310 HydrophobicContact CE1-CD1 3.95Å; F1176-L1310 HydrophobicContact CZ-CD1 3.74Å
1177	H	35.4	Very low	31.9	Very low	145 Å²	145	149.3 Å²	149.3	67%	0.671	79%	0.787	S	S	*	*			trans	-102.3	168.1	-151.7	-144	-138.6	0	0	0	115.3
1178	K	31.2	Very low	31.9	Very low	193 Å²	193	148.6 Å²	148.6	84%	0.839	78%	0.781	S	S	*	*			trans	-66.7	145.5	-176.5	-66.6	167.3	178	163.4	0	114
1179	S	33	Very low	32	Very low	119 Å²	119	148.8 Å²	148.8	83%	0.832	78%	0.777	S	S	*	*			trans	-148.4	169.6	146.2	62	0	0	0	0	111.4
1180	H	31.3	Very low	32.1	Very low	175 Å²	175	149.6 Å²	149.6	81%	0.81	78%	0.779	S	S	*	*			trans	-96.2	-173	-171	-87.6	-112.8	0	0	0	113
1181	I	31.9	Very low	32.1	Very low	155 Å²	155	150.9 Å²	150.9	80%	0.795	78%	0.778	S	S	*	*			trans	95.7	82.2	173.2	-54.6	164.2	0	0	0	111.9
1182	T	30.4	Very low	31.8	Very low	109 Å²	109	151.6 Å²	151.6	67%	0.669	78%	0.778	S	S	*	*				90.1	121	64.3	59.8	0	0	0	0	116.1
1183	T	28	Very low	31.8	Very low	125 Å²	125	149 Å²	149	77%	0.767	78%	0.779	S	S	*	*			trans	74.2	150.9	149.5	49.3	0	0	0	0	120.9
1184	N	32.1	Very low	31.8	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	77%	0.77	S	S	*	*			trans	80.5	119.3	173.1	-59.9	6.6	0	0	0	116
1185	E	33.8	Very low	31.7	Very low	186 Å²	186	150.9 Å²	150.9	87%	0.869	77%	0.77	S	S	*	*			cis	-144.2	173.1	-8.5	-84.2	-169.9	150.8	0	0	111.5
1186	L	29.2	Very low	31.8	Very low	143 Å²	143	153.6 Å²	153.6	75%	0.749	78%	0.775	S	S	*	*			trans	-110.4	150.1	-179.3	-99.4	161.1	0	0	0	110.4	K1188	L1186-K1188 HydrophobicContact CD2-CG 4.47Å
1187	P	32.3	Very low	31.7	Very low	116 Å²	116	149.6 Å²	149.6	75%	0.753	76%	0.764	S	S	*	*				-144.6	157.9	83.9	44	-28.3	0	0	0	113.1
1188	K	30.8	Very low	31.5	Very low	171 Å²	171	150.3 Å²	150.3	74%	0.743	77%	0.772	S	S	*	*				50.6	121.3	64.5	-66.6	-175.7	177.5	-172	0	111.8	L1186	L1186-K1188 HydrophobicContact CD2-CG 4.47Å
1189	N	32.4	Very low	31.4	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	74%	0.74	S	S	*	*			cis	-155	-178.5	35.2	-119.8	21.2	0	0	0	111.7
1190	P	37.9	Very low	31.3	Very low	109 Å²	109	147.8 Å²	147.8	71%	0.708	74%	0.742	S	S	*	*			trans	-100.7	175.2	-174.7	40.5	-35.9	0	0	0	115.4
1191	M	29.6	Very low	31.2	Very low	171 Å²	171	144.9 Å²	144.9	84%	0.842	73%	0.728	S	S	*	*			trans	137.4	161.7	169.1	-83.6	174.5	79.5	0	0	108.6
1192	E	28.6	Very low	30.9	Very low	158 Å²	158	140.8 Å²	140.8	74%	0.738	72%	0.724	S	S	*	*			cis	-171.3	-179.1	-31.8	-176.7	155.1	-166.8	0	0	106
1193	C	29.6	Very low	30.9	Very low	123 Å²	123	147.9 Å²	147.9	83%	0.831	74%	0.739	S	S	*	*			trans	69.4	154.4	-176.5	-66.3	0	0	0	0	115.1
1194	D	33.7	Very low	30.8	Very low	136 Å²	136	145 Å²	145	73%	0.727	73%	0.734	S	S	*	*			cis	-122.4	150.3	15.2	-165.5	10.8	0	0	0	113.4
1195	R	31	Very low	31	Very low	200 Å²	200	143.9 Å²	143.9	76%	0.755	74%	0.735	S	S	*	*			trans	-123.7	123	-170.9	-142.5	-173.6	-169.3	-177.8	3.6	109.4
1196	R	33.5	Very low	30.8	Very low	232 Å²	232	142.1 Å²	142.1	88%	0.875	73%	0.731	S	S	*	*			trans	-134.9	79.9	168.1	-71.3	-166.1	-179.1	-171.9	-0.9	112.5
1197	T	29.7	Very low	30.7	Very low	77 Å²	77	143.3 Å²	143.3	47%	0.472	73%	0.733	S	S	.	*			trans	-64.4	152.1	157.4	29.5	0	0	0	0	111.4
1198	L	31.4	Very low	30.7	Very low	160 Å²	160	145.2 Å²	145.2	84%	0.838	73%	0.731	S	S	*	*			trans	-156.7	137.8	141.5	-110.6	171.6	0	0	0	109.4
1199	N	29	Very low	30.6	Very low	34 Å²	34	142.3 Å²	142.3	18%	0.182	73%	0.728	C	S	.	*			trans	-79.4	174.4	-172.2	-53.2	-74.3	0	0	0	112.7	I957 S959	I957-N1199 HydrophobicContact CG2-CB 4.05Å; I957-N1199 VanDerWaalsContact CG2-CG 3.5Å; I957-N1199 PolarHBondContact O-ND2 3.48Å; S959-N1199 WeakPolarHBondContact CA-OD1 3.2Å; S959-N1199 WeakPolarHBondContact CB-OD1 3.12Å; S959-N1199 PolarHBondContact N-OD1 2.87Å
1200	W	30.6	Very low	30.7	Very low	226 Å²	226	143.8 Å²	143.8	86%	0.856	73%	0.73	S	S	*	*				-161.9	139.3	107.3	-97.7	102.5	0	0	0	110.7
1201	Q	29.1	Very low	30.3	Very low	114 Å²	114	147.7 Å²	147.7	53%	0.533	74%	0.735	S	S	.	*			trans	-118.1	142.4	175.9	-80.5	-176.9	-15.9	0	0	111.2	T960	T960-Q1201 PolarHBondContact OG1-NE2 3.4Å; T960-Q1201 VanDerWaalsContact OG1-NE2 3.15Å
1202	G	26.3	Very low	30.4	Very low	69 Å²	69	146.9 Å²	146.9	71%	0.711	74%	0.74	S	S	*	*			trans	83.8	172.4	149.9	0	0	0	0	0	118.6
1203	W	29.7	Very low	30.7	Very low	258 Å²	258	144.5 Å²	144.5	98%	0.977	74%	0.74	S	S	*	*			trans	64.9	116.1	168.1	-51.6	89	0	0	0	118.6
1204	G	25.6	Very low	30.8	Very low	64 Å²	64	147.8 Å²	147.8	66%	0.66	74%	0.741	S	S	*	*			trans	-130.1	-166.4	144.1	0	0	0	0	0	108
1205	P	36.3	Very low	30.8	Very low	121 Å²	121	150.5 Å²	150.5	79%	0.786	75%	0.749	S	S	*	*			cis	-113.9	-152.9	-4.4	39.7	-26	0	0	0	112.2
1206	D	30.7	Very low	30.7	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	75%	0.748	S	S	*	*			trans	103.4	171	164.7	-64.3	-9.3	0	0	0	119.2
1207	E	27.9	Very low	30.6	Very low	168 Å²	168	149.4 Å²	149.4	79%	0.785	75%	0.751	S	S	*	*			trans	-101.9	-176.8	-139.4	-60.5	-170.7	106.7	0	0	116.5
1208	H	32.1	Very low	30.5	Very low	155 Å²	155	149.5 Å²	149.5	72%	0.718	75%	0.754	S	S	*	*			trans	89.7	80.2	152.5	-85.6	-74.9	0	0	0	121.6
1209	V	28.9	Very low	30.7	Very low	110 Å²	110	148 Å²	148	67%	0.667	76%	0.757	S	S	*	*				49.9	116.1	118.7	-177.3	0	0	0	0	119.2
1210	H	33.3	Very low	30.7	Very low	185 Å²	185	155 Å²	155	86%	0.856	79%	0.789	S	S	*	*				-165	161.6	113.1	-114.5	-80.7	0	0	0	114.8
1211	K	30.3	Very low	30.7	Very low	190 Å²	190	154 Å²	154	83%	0.826	79%	0.79	S	S	*	*			trans	-103.7	147.2	-177.5	-54.6	166.5	-178.6	168	0	112.6
1212	V	32	Very low	30.5	Very low	155 Å²	155	158.7 Å²	158.7	94%	0.939	80%	0.803	S	S	*	*			trans	-138.2	161.5	148.4	-174.6	0	0	0	0	109.3
1213	S	33.5	Very low	30.6	Very low	107 Å²	107	166.7 Å²	166.7	75%	0.748	81%	0.812	S	S	*	*			trans	-108.9	144.3	-157	-68.7	0	0	0	0	117.4
1214	K	32.9	Very low	30.4	Very low	193 Å²	193	160.3 Å²	160.3	84%	0.839	80%	0.796	S	S	*	*			trans	-0.4	144.2	142.4	-57.5	173.7	179.4	177.3	0	118.5
1215	H	33.4	Very low	30.5	Very low	193 Å²	193	165 Å²	165	89%	0.894	81%	0.805	S	S	*	*			trans	-122.2	166.4	134.6	-124.2	-101.3	0	0	0	111.4
1216	R	29.4	Very low	30.1	Very low	199 Å²	199	163 Å²	163	75%	0.751	81%	0.806	S	S	*	*			trans	-146	139.2	-160.3	173	-168.2	-177.6	-174.7	3.9	111
1217	F	30.7	Very low	30	Very low	210 Å²	210	161 Å²	161	92%	0.921	80%	0.804	S	S	*	*			trans	-143.2	151.7	151.1	-107.4	-79.5	0	0	0	110.7
1218	S	28.5	Very low	30.3	Very low	78 Å²	78	162.3 Å²	162.3	55%	0.545	81%	0.81	S	S	.	*			trans	-161.6	140.6	-176.2	57.4	0	0	0	0	110.3
1219	S	33.9	Very low	30.3	Very low	129 Å²	129	162.9 Å²	162.9	90%	0.902	81%	0.812	S	S	*	*			trans	-135.6	130.2	163.3	-80.7	0	0	0	0	110.2
1220	Q	28.6	Very low	30.5	Very low	181 Å²	181	164.8 Å²	164.8	85%	0.846	81%	0.814	S	S	*	*			trans	-105.4	154.4	171.1	-60.3	163.7	-72.7	0	0	108.8
1221	K	31	Very low	30.6	Very low	205 Å²	205	163.4 Å²	163.4	89%	0.891	81%	0.805	S	S	*	*			trans	-159.8	153.1	136.1	-110.2	155.9	-172.1	178.6	0	112.1
1222	R	25.6	Very low	30.6	Very low	213 Å²	213	161.6 Å²	161.6	80%	0.804	80%	0.797	S	S	*	*			trans	-127.6	143.9	-179.6	154.8	-161.9	-78.1	-176.6	-6.5	106.1
1223	W	27.6	Very low	30.7	Very low	236 Å²	236	158.5 Å²	158.5	89%	0.894	78%	0.783	S	S	*	*			trans	-145.3	171.5	155.7	-93.7	105.8	0	0	0	111.9
1224	L	26.7	Very low	30.7	Very low	124 Å²	124	162.2 Å²	162.2	65%	0.649	78%	0.781	S	S	*	*			trans	-132.8	142.5	-167.9	-82.8	144.4	0	0	0	110.4
1225	I	26.4	Very low	30.8	Very low	163 Å²	163	160.2 Å²	160.2	84%	0.836	78%	0.778	S	S	*	*			trans	52.2	119.3	146	-54.8	168.7	0	0	0	118.2
1226	G	27.8	Very low	30.7	Very low	78 Å²	78	155 Å²	155	80%	0.804	76%	0.763	S	S	*	*			trans	-178	111.3	161.4	0	0	0	0	0	112.7
1227	S	28.8	Very low	30.8	Very low	110 Å²	110	152 Å²	152	77%	0.769	77%	0.767	S	S	*	*			trans	-85.4	154.3	-173.5	-38.9	0	0	0	0	113.7
1228	H	34.7	Very low	31.3	Very low	195 Å²	195	147.3 Å²	147.3	90%	0.903	76%	0.76	S	S	*	*				-166.7	157.8	128.5	-114.9	-87.4	0	0	0	113.1
1229	H	33.2	Very low	31.6	Very low	166 Å²	166	149.4 Å²	149.4	77%	0.769	77%	0.772	S	S	*	*			trans	-94.6	149.2	-169.9	-78	-83.8	0	0	0	116.2
1230	H	32.6	Very low	31.4	Very low	151 Å²	151	147.4 Å²	147.4	70%	0.699	76%	0.763	S	S	*	*				-166.9	119.3	116.3	-111.6	-146.1	0	0	0	110.7
1231	K	34.6	Very low	31.6	Very low	156 Å²	156	146 Å²	146	68%	0.678	76%	0.76	S	S	*	*				66.9	133.4	95.5	-73.1	-173.1	-171.2	154.3	0	114.8
1232	F	31.2	Very low	31.7	Very low	151 Å²	151	145.3 Å²	145.3	66%	0.662	76%	0.76	S	S	*	*			cis	-168.3	168.3	-3.7	-139.6	-141.1	0	0	0	106.8	R1234	F1232-R1234 HydrophobicContact CZ-CG 4.5Å; F1232-R1234 VanDerWaalsContact CZ-NE 3.32Å
1233	S	34.6	Very low	32.1	Very low	91 Å²	91	139.8 Å²	139.8	64%	0.636	75%	0.754	S	S	*	*			cis	-149.5	166.2	15.3	-27.9	0	0	0	0	108.6
1234	R	33	Very low	32.3	Very low	185 Å²	185	136.1 Å²	136.1	70%	0.698	75%	0.751	S	S	*	*				64.4	141.6	67.8	-50.6	-173.8	168.3	-156.7	-4.8	116.1	F1232	F1232-R1234 HydrophobicContact CZ-CG 4.5Å; F1232-R1234 VanDerWaalsContact CZ-NE 3.32Å
1235	L	34.5	Very low	32.7	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	76%	0.755	S	S	*	*			cis	-134	156.6	21.3	-70.3	160.6	0	0	0	111.4
1236	S	31.6	Very low	32.9	Very low	84 Å²	84	137 Å²	137	59%	0.587	76%	0.758	S	S	*	*			cis	82.8	128.5	4.6	90.6	0	0	0	0	118.3
1237	V	32.1	Very low	33.3	Very low	137 Å²	137	139.4 Å²	139.4	83%	0.83	76%	0.76	S	S	*	*			cis	-176.9	172	4.1	108.3	0	0	0	0	110.6
1238	S	39.7	Very low	33.2	Very low	111 Å²	111	141 Å²	141	78%	0.776	76%	0.759	S	S	*	*			trans	-75.1	159.7	173.6	-34.7	0	0	0	0	115.7
1239	P	35.3	Very low	32.9	Very low	121 Å²	121	136.8 Å²	136.8	79%	0.786	75%	0.747	S	S	*	*			trans	-143.9	174.6	150.9	39.4	-24.8	0	0	0	114.1
1240	A	29.7	Very low	32.6	Very low	87 Å²	87	135.1 Å²	135.1	72%	0.719	74%	0.744	S	S	*	*			cis	-171.1	145.5	-36.8	0	0	0	0	0	109.9
1241	I	33.3	Very low	32.4	Very low	153 Å²	153	138.3 Å²	138.3	79%	0.785	75%	0.75	S	S	*	*			trans	22.9	121.9	154.8	-50.5	170.2	0	0	0	119
1242	H	33.3	Very low	32.1	Very low	190 Å²	190	139.8 Å²	139.8	88%	0.88	75%	0.752	S	S	*	*			trans	-146.4	146	141.6	-121.1	-86.8	0	0	0	111
1243	S	33.8	Very low	31.9	Very low	97 Å²	97	140 Å²	140	68%	0.678	76%	0.758	S	S	*	*			trans	-109.3	135.9	176.5	-47.5	0	0	0	0	110
1244	D	31.8	Very low	31.6	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	76%	0.764	S	S	*	*			trans	-177.9	172.2	159.9	-104.1	-17.6	0	0	0	109.4
1245	P	33.7	Very low	31.3	Very low	113 Å²	113	141.1 Å²	141.1	73%	0.734	77%	0.766	S	S	*	*				-115.4	-179.9	-113.3	16.4	7.7	0	0	0	116.3	P1247	P1245-P1247 WeakPolarHBondContact O-CD 3.48Å
1246	E	32.4	Very low	31.1	Very low	192 Å²	192	140 Å²	140	90%	0.897	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-54.6	127	177.4	-64.1	-178.4	152.7	0	0	114
1247	P	34.4	Very low	30.9	Very low	128 Å²	128	143.8 Å²	143.8	83%	0.831	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-79.1	117.4	161.7	-12	29.5	0	0	0	110.6	P1245	P1245-P1247 WeakPolarHBondContact O-CD 3.48Å
1248	N	26.8	Very low	30.9	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.1	146.7	177.8	172.8	42.2	0	0	0	114
1249	V	30	Very low	30.5	Very low	107 Å²	107	145 Å²	145	65%	0.648	77%	0.771	S	S	*	*			trans	-36.6	154.8	173	-165.4	0	0	0	0	115.8
1250	N	26.8	Very low	30.2	Very low	132 Å²	132	145.4 Å²	145.4	71%	0.706	76%	0.762	S	S	*	*			trans	92.5	116.9	168	-51	-78.3	0	0	0	115.6
1251	W	27.3	Very low	30.2	Very low	218 Å²	218	147.8 Å²	147.8	83%	0.826	76%	0.763	S	S	*	*				-161.3	134.8	115	-105.4	26.2	0	0	0	110.9
1252	W	29.3	Very low	30.1	Very low	187 Å²	187	150.5 Å²	150.5	71%	0.708	77%	0.769	S	S	*	*			trans	63.6	93.4	170	-46	114	0	0	0	119.7
1253	I	25.5	Very low	29.9	Very low	155 Å²	155	148.9 Å²	148.9	80%	0.795	76%	0.762	S	S	*	*				-92.8	129.3	129.6	-66.3	168	0	0	0	106
1254	Q	28.5	Very low	29.7	Very low	164 Å²	164	153.3 Å²	153.3	77%	0.766	76%	0.764	S	S	*	*			trans	-161.3	139.8	146	-121.3	167.8	-15.4	0	0	112.4
1255	D	27.6	Very low	29.5	Very low	136 Å²	136	151.1 Å²	151.1	73%	0.727	75%	0.752	S	S	*	*			trans	-66.9	163	179.4	-33.5	-87.6	0	0	0	110.2
1256	T	29.4	Very low	29.5	Very low	127 Å²	127	152.6 Å²	152.6	78%	0.779	76%	0.759	S	S	*	*				-159.2	177.9	58.1	47.6	0	0	0	0	113.5
1257	E	28.7	Very low	29.4	Very low	163 Å²	163	147.9 Å²	147.9	76%	0.762	75%	0.747	S	S	*	*			trans	-63.4	146.9	171.3	-56.4	121	140.4	0	0	113.2
1258	D	30.9	Very low	29.3	Very low	151 Å²	151	147 Å²	147	81%	0.807	74%	0.74	S	S	*	*				173.6	151.2	109.3	-99.2	-29.6	0	0	0	115.7
1259	V	31.6	Very low	29.4	Very low	122 Å²	122	149.6 Å²	149.6	74%	0.739	75%	0.748	S	S	*	*			trans	-27.6	133.7	170.5	-160.7	0	0	0	0	118.1
1260	E	29.9	Very low	29.7	Very low	130 Å²	130	147.5 Å²	147.5	61%	0.607	75%	0.749	S	S	*	*				-177.3	160.1	112	-98.9	-170.9	164.2	0	0	115.1	V343	V343-E1260 WeakPolarHBondContact CG2-OE1 3.39Å
1261	N	28.3	Very low	30.2	Very low	136 Å²	136	148.2 Å²	148.2	73%	0.727	74%	0.742	S	S	*	*			trans	-68.9	135.5	-172.9	-56.4	-72.1	0	0	0	112.8
1262	K	31.7	Very low	31	Very low	211 Å²	211	141.7 Å²	141.7	92%	0.917	72%	0.724	S	S	*	*			trans	-149.4	146.8	147.2	-120.9	171.2	-172.9	179	0	113
1263	E	29.2	Very low	31.5	Very low	155 Å²	155	139.6 Å²	139.6	72%	0.724	72%	0.717	S	S	*	*			trans	-81	167.7	178.2	-166.2	177.7	-106.3	0	0	110.3
1264	W	28.8	Very low	32.2	Very low	190 Å²	190	134 Å²	134	72%	0.72	69%	0.694	S	S	*	*			trans	80.1	124.9	174.1	-56.2	87	0	0	0	119.6
1265	N	29.2	Very low	33.1	Very low	113 Å²	113	130.6 Å²	130.6	60%	0.604	68%	0.681	S	S	*	*			trans	30.5	108.5	142.4	-59.8	-4.9	0	0	0	120
1266	T	32.9	Very low	34	Very low	144 Å²	144	126.6 Å²	126.6	88%	0.883	67%	0.667	S	S	*	*				-172	139.7	111.6	18.1	0	0	0	0	111.2
1267	C	30.9	Very low	34.9	Very low	94 Å²	94	123.7 Å²	123.7	64%	0.635	64%	0.644	S	S	*	*			trans	-104.3	137.8	164.5	-167.7	0	0	0	0	108.4	E1269	C1267-E1269 PolarHBondContact O-N 2.8Å
1268	P	32.6	Very low	35.8	Very low	108 Å²	108	120.6 Å²	120.6	70%	0.701	63%	0.626	S	S	*	*			trans	-66	132.8	-171	-24.3	35.3	0	0	0	115
1269	E	28.7	Very low	36.6	Very low	198 Å²	198	117 Å²	117	93%	0.925	61%	0.61	S	S	*	*	S	Bend	trans	25.2	95.2	152.2	-60.2	-176.7	167.6	0	0	117.7	C1267	C1267-E1269 PolarHBondContact O-N 2.8Å
1270	G	35.3	Very low	37.5	Very low	64 Å²	64	117.7 Å²	117.7	66%	0.66	60%	0.599	S	S	*	*	S	Bend	trans	158.2	-22.3	164.3	0	0	0	0	0	116.1
1271	Y	36.8	Very low	38.2	Very low	146 Å²	146	116.7 Å²	116.7	57%	0.573	59%	0.594	S	S	*	*	S	Bend	trans	-99.7	129.2	166	-100.4	-104.6	0	0	0	109.1	F299 W301 Y1273	F299-Y1271 HydrophobicContact CD1-CE2 4.29Å; F299-Y1271 HydrophobicContact CE1-CE1 4.49Å; F299-Y1271 AromaticContact CE1-CE2 3.66Å; F299-Y1271 HydrophobicContact CE1-CE2 3.66Å; F299-Y1271 AromaticContact CE1-CZ 3.58Å; F299-Y1271 VanDerWaalsContact CE1-OH 3.28Å; F299-Y1271 WeakPolarHBondContact CE1-OH 3.45Å; W301-Y1271 AromaticContact CH2-CD2 3.86Å; W301-Y1271 HydrophobicContact CH2-CD2 3.86Å; W301-Y1271 HydrophobicContact CH2-CE2 4.39Å; W301-Y1271 HydrophobicContact CZ2-CD2 4.27Å; W301-Y1271 HydrophobicContact CZ3-CD2 4.44Å; Y1271-Y1273 PolarHBondContact O-N 3.4Å
1272	D	44.9	Very low	39.2	Very low	81 Å²	81	115.5 Å²	115.5	43%	0.433	59%	0.586	S	S	.	*			trans	-73.6	99.8	166.8	-168.3	-4.9	0	0	0	108.1	A1274 D1275 R1278	D1272-A1274 PolarHBondContact O-N 2.86Å; D1272-A1274 VanDerWaalsContact OD1-CA 3.31Å; D1272-A1274 WeakPolarHBondContact OD1-CA 3.39Å; D1272-A1274 VanDerWaalsContact OD1-CB 3.26Å; D1272-A1274 WeakPolarHBondContact OD1-CB 3.34Å; D1272-A1274 PolarHBondContact OD1-N 2.97Å; D1272-D1275 HydrophobicContact CB-CB 4.18Å; D1272-D1275 PolarHBondContact O-N 2.88Å; D1272-R1278 IonicContact OD2-CZ 3.98Å; D1272-R1278 IonicContact OD2-NH1 3.24Å; D1272-R1278 IonicContact OD2-NH2 2.77Å; D1272-R1278 PolarHBondContact OD2-NH2 3.4Å
1273	Y	39.5	Very low	39.8	Very low	143 Å²	143	111 Å²	111	56%	0.561	57%	0.57	S	S	*	*	H	α-helix	trans	-57.3	-32.8	172.9	-129.8	-85.5	0	0	0	110	Y1271 D1275 A1276 E1277	Y1271-Y1273 PolarHBondContact O-N 3.4Å; Y1273-D1275 VanDerWaalsContact C-N 3.28Å; Y1273-D1275 PolarHBondContact O-N 2.94Å; Y1273-A1276 PolarHBondContact O-N 3.06Å; Y1273-E1277 WeakPolarHBondContact O-CB 3.3Å; Y1273-E1277 PolarHBondContact O-N 3.47Å
1274	A	40.7	Very low	40.4	Very low	39 Å²	39	111.1 Å²	111.1	32%	0.322	57%	0.565	S	S	.	*	H	α-helix	trans	-77.8	2.3	174.2	0	0	0	0	0	113.9	D1272 R1278	D1272-A1274 PolarHBondContact O-N 2.86Å; D1272-A1274 VanDerWaalsContact OD1-CA 3.31Å; D1272-A1274 WeakPolarHBondContact OD1-CA 3.39Å; D1272-A1274 VanDerWaalsContact OD1-CB 3.26Å; D1272-A1274 WeakPolarHBondContact OD1-CB 3.34Å; D1272-A1274 PolarHBondContact OD1-N 2.97Å; A1274-R1278 WeakPolarHBondContact O-CA 3.37Å; A1274-R1278 WeakPolarHBondContact O-CB 3.23Å; A1274-R1278 WeakPolarHBondContact O-CG 3.18Å; A1274-R1278 PolarHBondContact O-N 2.96Å; A1274-R1278 PolarHBondContact O-NE 3.02Å; A1274-R1278 VanDerWaalsContact O-NE 3.09Å; A1274-R1278 PolarHBondContact O-NH1 2.81Å
1275	D	48.3	Very low	40.9	Very low	92 Å²	92	105.8 Å²	105.8	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-89.6	-32.5	160.2	-100.4	-7	0	0	0	111.8	D1272 Y1273 R1278 T1279	D1272-D1275 HydrophobicContact CB-CB 4.18Å; D1272-D1275 PolarHBondContact O-N 2.88Å; Y1273-D1275 VanDerWaalsContact C-N 3.28Å; Y1273-D1275 PolarHBondContact O-N 2.94Å; D1275-R1278 IonicContact OD1-CZ 3.22Å; D1275-R1278 IonicContact OD1-NE 3.56Å; D1275-R1278 PolarHBondContact OD1-NE 3.1Å; D1275-R1278 IonicContact OD1-NH2 2.79Å; D1275-R1278 PolarHBondContact OD1-NH2 3.14Å; D1275-T1279 WeakPolarHBondContact O-CB 3.49Å; D1275-T1279 PolarHBondContact O-N 3.45Å; D1275-T1279 PolarHBondContact O-OG1 2.83Å
1276	A	46.6	Very low	41.3	Very low	52 Å²	52	103.2 Å²	103.2	43%	0.43	54%	0.541	S	S	.	.	H	α-helix	trans	-69	-43.6	167.7	0	0	0	0	0	110.5	Y1273 T1279 R1280	Y1273-A1276 PolarHBondContact O-N 3.06Å; A1276-T1279 PolarHBondContact O-N 3.46Å; A1276-R1280 PolarHBondContact O-N 3.35Å
1277	E	47.3	Very low	41.8	Very low	66 Å²	66	101 Å²	101	31%	0.308	52%	0.517	S	S	.	.	H	α-helix	trans	-72.1	-40.1	174.6	-125	60.8	-137.5	0	0	111.7	Y1273 T1279 R1280 E1281	Y1273-E1277 WeakPolarHBondContact O-CB 3.3Å; Y1273-E1277 PolarHBondContact O-N 3.47Å; E1277-T1279 PolarHBondContact O-N 3.22Å; E1277-R1280 CarbonylContact O-C 3.24Å; E1277-R1280 WeakPolarHBondContact O-CA 3.32Å; E1277-R1280 WeakPolarHBondContact O-CB 3.37Å; E1277-R1280 PolarHBondContact O-N 3.01Å; E1277-R1280 WeakPolarHBondContact OE1-CD 3.49Å; E1277-R1280 IonicContact OE1-CZ 3.87Å; E1277-R1280 IonicContact OE1-NE 3.2Å; E1277-R1280 IonicContact OE1-NH1 2.67Å; E1277-R1280 PolarHBondContact OE1-NH1 3.03Å; E1277-R1280 IonicContact OE2-CZ 3.49Å; E1277-R1280 IonicContact OE2-NH1 3.13Å; E1277-R1280 PolarHBondContact OE2-NH1 3.2Å; E1277-E1281 WeakPolarHBondContact O-CB 3.44Å; E1277-E1281 WeakPolarHBondContact O-CG 3.48Å; E1277-E1281 PolarHBondContact O-N 3.48Å
1278	R	46.6	Very low	42.1	Very low	98 Å²	98	106.2 Å²	106.2	37%	0.37	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-30.6	168.2	-80.3	-179.7	-59	-95.9	5.5	112.2	D1272 A1274 D1275 R1280 I1282	D1272-R1278 IonicContact OD2-CZ 3.98Å; D1272-R1278 IonicContact OD2-NH1 3.24Å; D1272-R1278 IonicContact OD2-NH2 2.77Å; D1272-R1278 PolarHBondContact OD2-NH2 3.4Å; A1274-R1278 WeakPolarHBondContact O-CA 3.37Å; A1274-R1278 WeakPolarHBondContact O-CB 3.23Å; A1274-R1278 WeakPolarHBondContact O-CG 3.18Å; A1274-R1278 PolarHBondContact O-N 2.96Å; A1274-R1278 PolarHBondContact O-NE 3.02Å; A1274-R1278 VanDerWaalsContact O-NE 3.09Å; A1274-R1278 PolarHBondContact O-NH1 2.81Å; D1275-R1278 IonicContact OD1-CZ 3.22Å; D1275-R1278 IonicContact OD1-NE 3.56Å; D1275-R1278 PolarHBondContact OD1-NE 3.1Å; D1275-R1278 IonicContact OD1-NH2 2.79Å; D1275-R1278 PolarHBondContact OD1-NH2 3.14Å; R1278-R1280 VanDerWaalsContact C-N 3.32Å; R1278-I1282 HydrophobicContact CB-CD1 4.29Å; R1278-I1282 WeakPolarHBondContact O-CB 3.5Å; R1278-I1282 WeakPolarHBondContact O-CD1 3.47Å; R1278-I1282 WeakPolarHBondContact O-CG1 3.27Å; R1278-I1282 PolarHBondContact O-N 3.45Å
1279	T	48.6	Very low	42.2	Very low	76 Å²	76	107.8 Å²	107.8	47%	0.466	53%	0.526	S	S	.	.	H	α-helix	trans	-70.1	-31.9	173.7	-61.5	0	0	0	0	111.3	D1275 A1276 E1277 M1283	D1275-T1279 WeakPolarHBondContact O-CB 3.49Å; D1275-T1279 PolarHBondContact O-N 3.45Å; D1275-T1279 PolarHBondContact O-OG1 2.83Å; A1276-T1279 PolarHBondContact O-N 3.46Å; E1277-T1279 PolarHBondContact O-N 3.22Å; T1279-M1283 HydrophobicContact CG2-CE 3.61Å; T1279-M1283 WeakPolarHBondContact O-CB 3.21Å; T1279-M1283 WeakPolarHBondContact O-CG 3.48Å; T1279-M1283 PolarHBondContact O-N 3.04Å
1280	R	49.6	Very low	42.5	Very low	136 Å²	136	107.6 Å²	107.6	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-69.9	-53.6	168.8	-71	167.2	179.7	164.7	6.4	111.1	A1276 E1277 R1278 I1282 M1283 Y1284	A1276-R1280 PolarHBondContact O-N 3.35Å; E1277-R1280 CarbonylContact O-C 3.24Å; E1277-R1280 WeakPolarHBondContact O-CA 3.32Å; E1277-R1280 WeakPolarHBondContact O-CB 3.37Å; E1277-R1280 PolarHBondContact O-N 3.01Å; E1277-R1280 WeakPolarHBondContact OE1-CD 3.49Å; E1277-R1280 IonicContact OE1-CZ 3.87Å; E1277-R1280 IonicContact OE1-NE 3.2Å; E1277-R1280 IonicContact OE1-NH1 2.67Å; E1277-R1280 PolarHBondContact OE1-NH1 3.03Å; E1277-R1280 IonicContact OE2-CZ 3.49Å; E1277-R1280 IonicContact OE2-NH1 3.13Å; E1277-R1280 PolarHBondContact OE2-NH1 3.2Å; R1278-R1280 VanDerWaalsContact C-N 3.32Å; R1280-I1282 PolarHBondContact O-N 3.32Å; R1280-M1283 CarbonylContact O-C 3.58Å; R1280-M1283 WeakPolarHBondContact O-CA 3.48Å; R1280-M1283 PolarHBondContact O-N 2.82Å; R1280-Y1284 HydrophobicContact CB-CD2 4.45Å; R1280-Y1284 WeakPolarHBondContact O-CB 3.42Å; R1280-Y1284 WeakPolarHBondContact O-CD2 3.33Å; R1280-Y1284 PolarHBondContact O-N 3.06Å
1281	E	46.3	Very low	42.3	Very low	109 Å²	109	114.3 Å²	114.3	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-55.3	-51.8	177.3	-68.1	172	142.4	0	0	110.5	E1277 M1283 Y1284 D1285	E1277-E1281 WeakPolarHBondContact O-CB 3.44Å; E1277-E1281 WeakPolarHBondContact O-CG 3.48Å; E1277-E1281 PolarHBondContact O-N 3.48Å; E1281-M1283 PolarHBondContact O-N 3.22Å; E1281-Y1284 CarbonylContact O-C 3.54Å; E1281-Y1284 PolarHBondContact O-N 3.21Å; E1281-D1285 WeakPolarHBondContact O-CA 3.27Å; E1281-D1285 WeakPolarHBondContact O-CB 3.34Å; E1281-D1285 PolarHBondContact O-N 3.46Å
1282	I	48.2	Very low	42.2	Very low	110 Å²	110	116.9 Å²	116.9	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-57.3	-31	176.8	-68.2	165	0	0	0	112	R1278 R1280 S1286	R1278-I1282 HydrophobicContact CB-CD1 4.29Å; R1278-I1282 WeakPolarHBondContact O-CB 3.5Å; R1278-I1282 WeakPolarHBondContact O-CD1 3.47Å; R1278-I1282 WeakPolarHBondContact O-CG1 3.27Å; R1278-I1282 PolarHBondContact O-N 3.45Å; R1280-I1282 PolarHBondContact O-N 3.32Å; I1282-S1286 WeakPolarHBondContact O-CB 3.39Å; I1282-S1286 PolarHBondContact O-OG 2.82Å
1283	M	44.4	Very low	41.5	Very low	118 Å²	118	118.5 Å²	118.5	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-82.9	-27.4	173.1	-74.8	-160.7	-102.5	0	0	115	T1279 R1280 E1281	T1279-M1283 HydrophobicContact CG2-CE 3.61Å; T1279-M1283 WeakPolarHBondContact O-CB 3.21Å; T1279-M1283 WeakPolarHBondContact O-CG 3.48Å; T1279-M1283 PolarHBondContact O-N 3.04Å; R1280-M1283 CarbonylContact O-C 3.58Å; R1280-M1283 WeakPolarHBondContact O-CA 3.48Å; R1280-M1283 PolarHBondContact O-N 2.82Å; E1281-M1283 PolarHBondContact O-N 3.22Å
1284	Y	42.4	Very low	40.9	Very low	156 Å²	156	118.1 Å²	118.1	61%	0.612	58%	0.575	S	S	*	*	H	α-helix	trans	-92.2	-34.1	-179.5	-89.4	-80.1	0	0	0	113.6	R1280 E1281 R1287	R1280-Y1284 HydrophobicContact CB-CD2 4.45Å; R1280-Y1284 WeakPolarHBondContact O-CB 3.42Å; R1280-Y1284 WeakPolarHBondContact O-CD2 3.33Å; R1280-Y1284 PolarHBondContact O-N 3.06Å; E1281-Y1284 CarbonylContact O-C 3.54Å; E1281-Y1284 PolarHBondContact O-N 3.21Å; Y1284-R1287 WeakPolarHBondContact O-CB 3.33Å; Y1284-R1287 PolarHBondContact O-N 2.74Å
1285	D	39.6	Very low	40.6	Very low	79 Å²	79	125.6 Å²	125.6	42%	0.422	60%	0.6	S	S	.	*	H	α-helix	trans	-92	-24	-172.3	-147.9	28.8	0	0	0	111.8	E1281 R1287 R1288 D1289	E1281-D1285 WeakPolarHBondContact O-CA 3.27Å; E1281-D1285 WeakPolarHBondContact O-CB 3.34Å; E1281-D1285 PolarHBondContact O-N 3.46Å; D1285-R1287 PolarHBondContact O-N 2.71Å; D1285-R1288 PolarHBondContact O-N 2.91Å; D1285-D1289 PolarHBondContact O-N 2.91Å
1286	S	37.5	Very low	39.8	Very low	58 Å²	58	131.9 Å²	131.9	41%	0.406	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.4	-0.4	158.6	-71.1	0	0	0	0	114.2	I1282 R1290	I1282-S1286 WeakPolarHBondContact O-CB 3.39Å; I1282-S1286 PolarHBondContact O-OG 2.82Å; S1286-R1290 PolarHBondContact O-NH2 3.46Å
1287	R	42.3	Very low	39.2	Very low	99 Å²	99	137.6 Å²	137.6	37%	0.374	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113	4	171.3	-70.4	167.8	158.8	-179.2	-1.8	113.6	E1132 Y1284 D1285	E1132-R1287 IonicContact OE1-CZ 2.72Å; E1132-R1287 IonicContact OE1-NH2 3.36Å; E1132-R1287 PolarHBondContact OE1-NH2 2.89Å; E1132-R1287 IonicContact OE2-NH2 2.74Å; E1132-R1287 PolarHBondContact OE2-NH2 2.94Å; Y1284-R1287 WeakPolarHBondContact O-CB 3.33Å; Y1284-R1287 PolarHBondContact O-N 2.74Å; D1285-R1287 PolarHBondContact O-N 2.71Å
1288	R	38.1	Very low	38.6	Very low	203 Å²	203	141.3 Å²	141.3	77%	0.766	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-49.4	179.1	-129.5	173.4	-172.5	156.8	1.7	113.8	D1285 R1290	D1285-R1288 PolarHBondContact O-N 2.91Å; R1288-R1290 PolarHBondContact O-N 2.97Å
1289	D	34.8	Very low	37.9	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	41.3	-175	-84.1	9.8	0	0	0	115.7	D1285	D1285-D1289 PolarHBondContact O-N 2.91Å
1290	R	34.9	Very low	37.2	Very low	194 Å²	194	147.8 Å²	147.8	73%	0.732	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.5	15.4	178	-115.9	-179.9	-64.1	-152.8	0.3	115.8	S1286 R1288	S1286-R1290 PolarHBondContact O-NH2 3.46Å; R1288-R1290 PolarHBondContact O-N 2.97Å
1291	Y	31.4	Very low	36.3	Very low	204 Å²	204	145.3 Å²	145.3	80%	0.8	71%	0.705	S	S	*	*	S	Bend	trans	-117.9	4.3	178.1	-110.2	-97.6	0	0	0	115.6	L1368	Y1291-L1368 HydrophobicContact CD1-CD1 4.33Å; Y1291-L1368 HydrophobicContact CE1-CD1 4.24Å
1292	E	34	Very low	35.6	Very low	200 Å²	200	150.4 Å²	150.4	94%	0.935	72%	0.721	S	S	*	*	S	Bend	trans	-127.1	-3.4	-175.7	-110	175.5	-176.4	0	0	116.1
1293	S	30.7	Very low	34.8	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	73%	0.728	S	S	*	*			trans	-123.4	67.5	-174.9	-161.9	0	0	0	0	113
1294	C	27.7	Very low	34.3	Very low	135 Å²	135	156.2 Å²	156.2	91%	0.912	74%	0.744	S	S	*	*			trans	-151.4	46.6	170.7	-117.2	0	0	0	0	113.9
1295	K	32.5	Very low	33.7	Very low	196 Å²	196	159.9 Å²	159.9	85%	0.852	76%	0.757	S	S	*	*			trans	-113.8	138.5	160.5	-71.9	175.3	179.5	169.5	0	108
1296	Y	32.6	Very low	33.3	Very low	224 Å²	224	159.4 Å²	159.4	88%	0.878	77%	0.771	S	S	*	*	S	Bend	trans	89.6	134.7	-176.5	-69.9	-88.9	0	0	0	119.4
1297	E	34.4	Very low	33.1	Very low	172 Å²	172	165.4 Å²	165.4	80%	0.804	79%	0.792	S	S	*	*			trans	74.5	63.5	156.5	-65	-176.1	-176.2	0	0	121.5
1298	N	34.4	Very low	32.7	Very low	143 Å²	143	163.4 Å²	163.4	77%	0.765	80%	0.802	S	S	*	*				37.5	131	115.4	-81.3	-37.7	0	0	0	121.8
1299	N	30.8	Very low	32.5	Very low	139 Å²	139	160.7 Å²	160.7	74%	0.743	80%	0.803	S	S	*	*			trans	64.4	103.8	143.2	-67.6	-40.7	0	0	0	119.5
1300	I	34.1	Very low	32.3	Very low	172 Å²	172	158.3 Å²	158.3	88%	0.882	79%	0.79	S	S	*	*				-166.5	141.6	93.2	-93.8	155.2	0	0	0	109.5
1301	A	30.8	Very low	32.2	Very low	84 Å²	84	155.2 Å²	155.2	69%	0.694	79%	0.792	S	S	*	*			trans	-95.9	154.4	179.7	0	0	0	0	0	112.5
1302	Y	32.7	Very low	32.1	Very low	215 Å²	215	155.9 Å²	155.9	84%	0.843	79%	0.793	S	S	*	*				-156.2	164.5	118.1	-129.3	-94.8	0	0	0	113.5
1303	Q	30.5	Very low	31.9	Very low	155 Å²	155	151.9 Å²	151.9	72%	0.724	79%	0.786	S	S	*	*			trans	-95.5	155	-171.3	-55	161.9	-13.7	0	0	112.8
1304	Q	34.2	Very low	31.9	Very low	195 Å²	195	152 Å²	152	91%	0.911	78%	0.777	S	S	*	*				-164	165.3	116.2	-106.4	163.3	70.6	0	0	113.5
1305	R	29.6	Very low	32.2	Very low	233 Å²	233	154.6 Å²	154.6	88%	0.879	77%	0.774	S	S	*	*			trans	-116	157.4	-165.8	-67	175.7	171.6	168.8	-4.7	113.2
1306	G	32	Very low	32.2	Very low	70 Å²	70	148.4 Å²	148.4	72%	0.722	77%	0.765	S	S	*	*			trans	170.9	74.5	163.4	0	0	0	0	0	113.6
1307	H	32.6	Very low	32.2	Very low	184 Å²	184	142 Å²	142	85%	0.852	76%	0.759	S	S	*	*				58.6	120.6	101.6	-79	-89.8	0	0	0	116.4
1308	G	33.3	Very low	32.4	Very low	57 Å²	57	141.4 Å²	141.4	59%	0.588	76%	0.761	S	S	*	*			trans	-167.4	-23.6	177.8	0	0	0	0	0	120.7
1309	N	33.8	Very low	32.6	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	76%	0.763	S	S	*	*			trans	37.5	117.7	154.1	-149.3	14.9	0	0	0	122.7
1310	L	32	Very low	32.8	Very low	90 Å²	90	142 Å²	142	47%	0.471	76%	0.764	S	S	.	*			trans	179.1	135.1	148.8	-123.5	83.6	0	0	0	108.3	F1176	F1176-L1310 HydrophobicContact CE1-CD1 3.95Å; F1176-L1310 HydrophobicContact CZ-CD1 3.74Å
1311	T	32.2	Very low	33.1	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	75%	0.748	S	S	*	*			cis	-159	154.2	-15.1	2.9	0	0	0	0	109
1312	R	30.4	Very low	33.3	Very low	218 Å²	218	141.7 Å²	141.7	82%	0.823	75%	0.752	S	S	*	*			trans	-119	158.7	-173.2	175.2	176.2	175.1	163.4	-2.5	112.6
1313	C	28.6	Very low	33.5	Very low	116 Å²	116	137.4 Å²	137.4	78%	0.784	74%	0.743	S	S	*	*			trans	-143.6	152.1	162.5	-152.6	0	0	0	0	110.4
1314	L	30.4	Very low	33.7	Very low	119 Å²	119	135.8 Å²	135.8	62%	0.623	74%	0.738	S	S	*	*	S	Bend	trans	67.9	115.3	-173.1	-56.6	142.8	0	0	0	113.5
1315	F	35.6	Very low	33.6	Very low	190 Å²	190	131.8 Å²	131.8	83%	0.833	72%	0.724	S	S	*	*			cis	-110.9	-132.2	-11.8	-65.4	-91.6	0	0	0	110.8
1316	G	32.3	Very low	33.7	Very low	65 Å²	65	129 Å²	129	67%	0.67	72%	0.72	S	S	*	*			cis	115.8	116.8	15.9	0	0	0	0	0	110.3
1317	A	32.6	Very low	33.7	Very low	91 Å²	91	130.9 Å²	130.9	75%	0.752	72%	0.722	S	S	*	*			cis	78.9	131.4	7.5	0	0	0	0	0	115.4
1318	D	38.5	Very low	33.7	Very low	159 Å²	159	127.2 Å²	127.2	85%	0.85	72%	0.717	S	S	*	*			cis	-125.7	-178.8	28.4	-61.5	-43.1	0	0	0	117.3
1319	D	38	Very low	33.9	Very low	149 Å²	149	128 Å²	128	80%	0.797	72%	0.718	S	S	*	*			trans	-56.8	148	-171.7	-64	-51.7	0	0	0	117.8
1320	N	35.1	Very low	34.1	Very low	145 Å²	145	127.9 Å²	127.9	78%	0.775	72%	0.718	S	S	*	*				73.6	149	60.9	-149	45.6	0	0	0	113.1
1321	P	40	Very low	34.5	Very low	83 Å²	83	130.3 Å²	130.3	54%	0.539	73%	0.731	S	S	.	*			cis	-138	178.2	10.4	46.2	-29.1	0	0	0	118.2
1322	E	35.5	Very low	35	Very low	166 Å²	166	132.4 Å²	132.4	78%	0.776	73%	0.732	S	S	*	*			trans	60.4	149	143.6	-74.1	156.4	-165.1	0	0	119.9
1323	D	36.8	Very low	35.6	Very low	125 Å²	125	128.9 Å²	128.9	67%	0.668	73%	0.729	S	S	*	*			cis	-156.8	160.5	14.5	-141.7	-3.6	0	0	0	115.9
1324	I	33.6	Very low	36.3	Very low	121 Å²	121	127.5 Å²	127.5	62%	0.621	73%	0.727	S	S	*	*			trans	58.3	106.4	146.2	-79.2	165.7	0	0	0	122.8
1325	N	33.2	Very low	36.9	Very low	112 Å²	112	130.2 Å²	130.2	60%	0.599	74%	0.736	S	S	*	*				59.9	128.1	125.8	-62.9	-27.3	0	0	0	125.1
1326	Q	31.5	Very low	37.3	Very low	173 Å²	173	127.9 Å²	127.9	81%	0.808	73%	0.733	S	S	*	*				61.6	148.6	120	-54.6	161.8	21.1	0	0	119.3
1327	S	32.9	Very low	37.8	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	73%	0.729	S	S	*	*			cis	-147.2	177.5	13.6	62.5	0	0	0	0	113.5
1328	S	31.9	Very low	38.1	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	73%	0.732	S	S	*	*			trans	-65	172.3	164.3	54.3	0	0	0	0	114.7
1329	A	36.9	Very low	38	Very low	73 Å²	73	128.3 Å²	128.3	60%	0.603	72%	0.724	S	S	*	*			trans	96.4	109.9	149.5	0	0	0	0	0	118.9
1330	D	39.1	Very low	38.7	Very low	145 Å²	145	127 Å²	127	78%	0.775	72%	0.723	S	S	*	*				65.9	131.4	117.4	-44.9	-19.4	0	0	0	122.2
1331	D	40.4	Very low	38.9	Very low	141 Å²	141	125.9 Å²	125.9	75%	0.754	72%	0.722	S	S	*	*			trans	69.5	113.3	144.5	-58.6	-13.8	0	0	0	123.7
1332	E	42.6	Very low	39.1	Very low	173 Å²	173	126.4 Å²	126.4	81%	0.808	73%	0.727	S	S	*	*			trans	72.1	139.1	132.6	-60.4	-170.9	153.2	0	0	123.5
1333	D	42.5	Very low	39.3	Very low	143 Å²	143	125 Å²	125	77%	0.765	73%	0.725	S	S	*	*			trans	64.1	99.7	148.2	-71.3	4.8	0	0	0	124
1334	A	44	Very low	39.4	Very low	88 Å²	88	125.9 Å²	125.9	73%	0.727	73%	0.728	S	S	*	*				80.2	127.4	111.2	0	0	0	0	0	123.5
1335	E	43	Very low	39.8	Very low	175 Å²	175	124.5 Å²	124.5	82%	0.818	73%	0.729	S	S	*	*			trans	66.6	97.4	138.7	-59.9	-71.2	150.5	0	0	122.1
1336	D	43.8	Very low	40.1	Very low	142 Å²	142	127.2 Å²	127.2	76%	0.759	74%	0.742	S	S	*	*				84	156.3	118.3	-156.9	23.3	0	0	0	122.5
1337	V	42.9	Very low	40.3	Very low	98 Å²	98	121.5 Å²	121.5	59%	0.594	73%	0.729	S	S	*	*			trans	83.4	91.8	158.9	-161.2	0	0	0	0	121.9
1338	I	38.9	Very low	40.6	Very low	161 Å²	161	125 Å²	125	83%	0.826	73%	0.734	S	S	*	*			trans	74.5	132.5	137.6	-59.6	173.2	0	0	0	121.3
1339	G	36.6	Very low	40.9	Very low	65 Å²	65	126.9 Å²	126.9	67%	0.67	74%	0.735	S	S	*	*			trans	-90.8	-130	172.2	0	0	0	0	0	115.1
1340	P	50.9	Low	41	Very low	120 Å²	120	128.6 Å²	128.6	78%	0.779	74%	0.742	S	S	*	*			cis	-145.3	-160.2	-0.1	34.7	-9.2	0	0	0	116.3
1341	V	40	Very low	40.8	Very low	123 Å²	123	124.8 Å²	124.8	75%	0.745	74%	0.737	S	S	*	*			trans	98.8	127.6	152.1	-153.8	0	0	0	0	121.3
1342	S	43.5	Very low	40.8	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	74%	0.741	S	S	*	*			trans	67.6	140.3	154	51.8	0	0	0	0	120.6
1343	D	40.6	Very low	40.5	Very low	136 Å²	136	125.3 Å²	125.3	73%	0.727	74%	0.739	S	S	*	*			cis	-162.6	149.5	-2.1	-111.8	-8.4	0	0	0	113.3
1344	I	39.7	Very low	40.2	Very low	144 Å²	144	121.4 Å²	121.4	74%	0.738	73%	0.733	S	S	*	*			trans	65.9	129.8	143.1	-65.8	169.3	0	0	0	119
1345	S	42.1	Very low	39.9	Very low	91 Å²	91	123.3 Å²	123.3	64%	0.636	73%	0.731	S	S	*	*			cis	-175.7	153.3	-7.1	-100.7	0	0	0	0	113.3
1346	I	38	Very low	39.8	Very low	170 Å²	170	121.2 Å²	121.2	87%	0.872	73%	0.725	S	S	*	*			trans	69.2	133.8	155.5	-59.8	152.6	0	0	0	116.5
1347	G	36.5	Very low	39.8	Very low	52 Å²	52	123.2 Å²	123.2	54%	0.536	73%	0.73	S	S	.	*			cis	178.3	138.8	-5.2	0	0	0	0	0	109.3
1348	E	38.8	Very low	39.6	Very low	185 Å²	185	125.7 Å²	125.7	86%	0.864	74%	0.74	S	S	*	*				68	125.3	89.2	-65.3	166.4	177.6	0	0	112.1
1349	D	39	Very low	39.8	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	74%	0.744	S	S	*	*			cis	-140.9	161.8	19.7	-99.2	-32.5	0	0	0	110.8
1350	S	38.2	Very low	39.8	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	75%	0.752	S	S	*	*			cis	110.2	141.1	23.3	-57.2	0	0	0	0	113.1
1351	G	36	Very low	39.3	Very low	65 Å²	65	134.5 Å²	134.5	67%	0.67	76%	0.76	S	S	*	*			trans	115.1	87.3	173.7	0	0	0	0	0	114.1
1352	E	38.8	Very low	39	Very low	179 Å²	179	137.3 Å²	137.3	84%	0.836	77%	0.765	S	S	*	*				70.8	144.9	61.9	-61.1	-166.2	136.3	0	0	115
1353	L	36.4	Very low	38.6	Very low	146 Å²	146	141 Å²	141	76%	0.764	77%	0.772	S	S	*	*			cis	-167.4	167.3	-19.2	-109.7	174.7	0	0	0	107.7
1354	G	37.4	Very low	38.2	Very low	61 Å²	61	142.2 Å²	142.2	63%	0.629	77%	0.773	S	S	*	*			trans	132.1	106.6	166.4	0	0	0	0	0	113.3
1355	N	37.9	Very low	37.9	Very low	128 Å²	128	142.7 Å²	142.7	68%	0.684	78%	0.778	S	S	*	*				71.5	133.2	60.2	-70	76.9	0	0	0	112.8
1356	D	41	Very low	37.7	Very low	132 Å²	132	147.5 Å²	147.5	71%	0.706	79%	0.79	S	S	*	*			cis	-142.6	-170.4	-14.9	-71.6	-47	0	0	0	105.4
1357	E	42.6	Very low	37.5	Very low	183 Å²	183	146.6 Å²	146.6	86%	0.855	79%	0.787	S	S	*	*			cis	-159.5	161.4	12.5	-147.8	162.2	-169.4	0	0	106.8
1358	D	39.7	Very low	37.3	Very low	150 Å²	150	150.3 Å²	150.3	80%	0.802	79%	0.794	S	S	*	*			trans	-84.5	165.8	-168.8	-43.2	-89.3	0	0	0	116.5
1359	D	42.1	Very low	37.1	Very low	171 Å²	171	147.3 Å²	147.3	91%	0.914	79%	0.788	S	S	*	*			trans	-168.9	138.8	140.8	-102.1	-27.5	0	0	0	110.7
1360	D	36.9	Very low	37.4	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	77%	0.773	S	S	*	*			trans	-94.8	148.2	-174.7	-58.7	-71.1	0	0	0	113.7
1361	E	39.9	Very low	37.4	Very low	204 Å²	204	148 Å²	148	95%	0.953	78%	0.778	S	S	*	*			trans	-155.3	141.5	146.2	-121	166.7	-148.9	0	0	111.4
1362	E	34.4	Very low	37.7	Very low	183 Å²	183	153 Å²	153	86%	0.855	78%	0.776	S	S	*	*			trans	-99.3	142.1	-178.4	-57.3	177.1	122.4	0	0	110.6
1363	E	34.4	Very low	38.1	Very low	170 Å²	170	149 Å²	149	79%	0.794	75%	0.754	S	S	*	*				164.9	140.1	127.4	-90.4	176.7	171	0	0	115.4
1364	E	32	Very low	38.3	Very low	162 Å²	162	145.5 Å²	145.5	76%	0.757	74%	0.735	S	S	*	*			trans	67.2	127.2	144.4	-62.5	-177.7	162.4	0	0	124.7
1365	D	34.9	Very low	38.3	Very low	155 Å²	155	147.1 Å²	147.1	83%	0.829	74%	0.735	S	S	*	*			trans	63.8	104.3	147.6	-60.6	-7.7	0	0	0	123.4
1366	E	35.9	Very low	38.4	Very low	192 Å²	192	143.1 Å²	143.1	90%	0.897	71%	0.713	S	S	*	*			trans	-89.5	112.3	165.6	-64.9	-175.1	141.7	0	0	112.2
1367	D	35.1	Very low	38.6	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	70%	0.699	S	S	*	*			trans	-97.3	126.5	178.2	-157.4	-6.1	0	0	0	112.8	T1369	D1367-T1369 PolarHBondContact O-N 3.3Å
1368	L	31.6	Very low	38.9	Very low	131 Å²	131	140.6 Å²	140.6	69%	0.686	69%	0.693	S	S	*	*			trans	-94.4	78.9	-158.6	-73.6	168.8	0	0	0	114.5	Y1291	Y1291-L1368 HydrophobicContact CD1-CD1 4.33Å; Y1291-L1368 HydrophobicContact CE1-CD1 4.24Å
1369	T	34.8	Very low	38.9	Very low	122 Å²	122	137 Å²	137	75%	0.748	67%	0.67	S	S	*	*			trans	-143.1	80.9	-177.2	53.5	0	0	0	0	118.9	D1367	D1367-T1369 PolarHBondContact O-N 3.3Å
1370	D	45.6	Very low	38.5	Very low	85 Å²	85	132.5 Å²	132.5	46%	0.455	65%	0.645	S	S	.	*	S	Bend	trans	-161	-36.3	142.9	-140.4	-29.4	0	0	0	116	R1372 W1373 R1377	D1370-R1372 PolarHBondContact O-N 2.86Å; D1370-W1373 PolarHBondContact O-N 2.92Å; D1370-R1377 IonicContact OD1-CZ 3.09Å; D1370-R1377 VanDerWaalsContact OD1-CZ 3.28Å; D1370-R1377 IonicContact OD1-NH1 2.66Å; D1370-R1377 PolarHBondContact OD1-NH1 3.32Å; D1370-R1377 IonicContact OD1-NH2 3.18Å; D1370-R1377 PolarHBondContact OD1-NH2 2.88Å; D1370-R1377 IonicContact OD2-NH1 2.6Å
1371	E	39.1	Very low	38.6	Very low	184 Å²	184	131.3 Å²	131.3	86%	0.86	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-15.8	-165.1	-63	-165	139.8	0	0	117.2	W1373	E1371-W1373 PolarHBondContact O-N 3.31Å
1372	R	41.6	Very low	38.5	Very low	170 Å²	170	127.5 Å²	127.5	64%	0.642	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-18.6	-176.2	-163.4	171.9	-174.3	167.8	5.2	114.4	D1370	D1370-R1372 PolarHBondContact O-N 2.86Å
1373	W	46.9	Very low	38.8	Very low	94 Å²	94	124.4 Å²	124.4	36%	0.356	61%	0.605	S	S	.	*	S	Bend	trans	-93	-14.6	-171.5	-68.5	104.1	0	0	0	114.8	L92 D1370 E1371 L1376 R1377	L92-W1373 HydrophobicContact CD1-CE3 4.06Å; L92-W1373 HydrophobicContact CD1-CZ3 4.05Å; D1370-W1373 PolarHBondContact O-N 2.92Å; E1371-W1373 PolarHBondContact O-N 3.31Å; W1373-L1376 HydrophobicContact CE3-CD2 3.82Å; W1373-L1376 HydrophobicContact CZ3-CD2 3.74Å; W1373-L1376 CarbonylContact O-C 3.58Å; W1373-L1376 WeakPolarHBondContact O-CA 3.35Å; W1373-L1376 WeakPolarHBondContact O-CB 3.29Å; W1373-L1376 PolarHBondContact O-N 3.28Å; W1373-R1377 PolarHBondContact O-N 3.26Å
1374	D	40.5	Very low	39	Very low	72 Å²	72	121.7 Å²	121.7	39%	0.385	59%	0.594	S	S	.	*	H	α-helix	trans	-62.7	-39.4	-170.5	-69	-24.3	0	0	0	115.1	L1376 R1377 E1378	D1374-L1376 PolarHBondContact O-N 3.25Å; D1374-R1377 CarbonylContact O-C 3.52Å; D1374-R1377 PolarHBondContact O-N 3.35Å; D1374-R1377 VanDerWaalsContact O-N 3.08Å; D1374-R1377 IonicContact OD1-CZ 3.78Å; D1374-R1377 IonicContact OD1-NE 2.79Å; D1374-R1377 PolarHBondContact OD1-NE 3.27Å; D1374-R1377 IonicContact OD1-NH2 3.71Å; D1374-R1377 PolarHBondContact OD1-NH2 2.8Å; D1374-E1378 WeakPolarHBondContact O-CB 3.47Å; D1374-E1378 PolarHBondContact O-N 3.47Å
1375	P	37.9	Very low	39.5	Very low	96 Å²	96	119.2 Å²	119.2	62%	0.623	58%	0.584	S	S	*	*	H	α-helix	trans	-61.9	-24.6	172.2	-24.3	35.3	0	0	0	113.7	F1379	P1375-F1379 WeakPolarHBondContact O-CB 3.12Å; P1375-F1379 PolarHBondContact O-N 3.18Å
1376	L	40.2	Very low	39.8	Very low	43 Å²	43	116.8 Å²	116.8	23%	0.225	57%	0.567	C	S	.	*	H	α-helix	trans	-84.9	-32.8	174.1	-164.4	70.2	0	0	0	111.6	L92 W1373 D1374 E1378 F1379 M1380	L92-L1376 HydrophobicContact CD1-CD2 3.83Å; W1373-L1376 HydrophobicContact CE3-CD2 3.82Å; W1373-L1376 HydrophobicContact CZ3-CD2 3.74Å; W1373-L1376 CarbonylContact O-C 3.58Å; W1373-L1376 WeakPolarHBondContact O-CA 3.35Å; W1373-L1376 WeakPolarHBondContact O-CB 3.29Å; W1373-L1376 PolarHBondContact O-N 3.28Å; D1374-L1376 PolarHBondContact O-N 3.25Å; L1376-E1378 VanDerWaalsContact C-N 3.34Å; L1376-F1379 HydrophobicContact CD1-CD1 4.15Å; L1376-F1379 PolarHBondContact O-N 2.68Å; L1376-M1380 WeakPolarHBondContact O-CG 3.28Å; L1376-M1380 PolarHBondContact O-N 2.68Å
1377	R	44.8	Very low	40	Very low	106 Å²	106	111.4 Å²	111.4	40%	0.4	54%	0.544	S	S	.	.	H	α-helix	trans	-71.6	-24.5	172.3	-67	-170.2	-83.1	-125.2	2.5	113	D1370 W1373 D1374	D1370-R1377 IonicContact OD1-CZ 3.09Å; D1370-R1377 VanDerWaalsContact OD1-CZ 3.28Å; D1370-R1377 IonicContact OD1-NH1 2.66Å; D1370-R1377 PolarHBondContact OD1-NH1 3.32Å; D1370-R1377 IonicContact OD1-NH2 3.18Å; D1370-R1377 PolarHBondContact OD1-NH2 2.88Å; D1370-R1377 IonicContact OD2-NH1 2.6Å; W1373-R1377 PolarHBondContact O-N 3.26Å; D1374-R1377 CarbonylContact O-C 3.52Å; D1374-R1377 PolarHBondContact O-N 3.35Å; D1374-R1377 VanDerWaalsContact O-N 3.08Å; D1374-R1377 IonicContact OD1-CZ 3.78Å; D1374-R1377 IonicContact OD1-NE 2.79Å; D1374-R1377 PolarHBondContact OD1-NE 3.27Å; D1374-R1377 IonicContact OD1-NH2 3.71Å; D1374-R1377 PolarHBondContact OD1-NH2 2.8Å
1378	E	48.8	Very low	40.4	Very low	157 Å²	157	108.5 Å²	108.5	73%	0.734	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-20.7	171.6	-171.9	174.5	-152.7	0	0	112.6	D1374 L1376	D1374-E1378 WeakPolarHBondContact O-CB 3.47Å; D1374-E1378 PolarHBondContact O-N 3.47Å; L1376-E1378 VanDerWaalsContact C-N 3.34Å
1379	F	39.3	Very low	41.2	Very low	73 Å²	73	106.6 Å²	106.6	32%	0.32	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-34.1	-179.7	169.1	-97.9	0	0	0	114.5	M1121 I1125 P1375 L1376	M1121-F1379 HydrophobicContact CE-CE2 3.55Å; M1121-F1379 HydrophobicContact CE-CZ 3.93Å; I1125-F1379 HydrophobicContact CD1-CE1 4.5Å; I1125-F1379 HydrophobicContact CD1-CE2 3.45Å; I1125-F1379 VanDerWaalsContact CD1-CE2 3.45Å; I1125-F1379 HydrophobicContact CD1-CZ 3.36Å; I1125-F1379 HydrophobicContact CG1-CE2 4.24Å; I1125-F1379 HydrophobicContact CG1-CZ 4.46Å; P1375-F1379 WeakPolarHBondContact O-CB 3.12Å; P1375-F1379 PolarHBondContact O-N 3.18Å; L1376-F1379 HydrophobicContact CD1-CD1 4.15Å; L1376-F1379 PolarHBondContact O-N 2.68Å
1380	M	34.5	Very low	41.7	Very low	77 Å²	77	105.2 Å²	105.2	38%	0.379	49%	0.489	S	S	.	.			trans	-82	0	-178.1	-67.7	-174	-59.5	0	0	113	L92 L1376	L92-M1380 HydrophobicContact CB-CE 3.87Å; L92-M1380 HydrophobicContact CB-SD 4.23Å; L92-M1380 HydrophobicContact CD1-CE 3.96Å; L92-M1380 HydrophobicContact CG-CE 4.39Å; L1376-M1380 WeakPolarHBondContact O-CG 3.28Å; L1376-M1380 PolarHBondContact O-N 2.68Å

Retrieved 1,380 of 1,380 residues in 493.2 ms (Link to these results)

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