A0A096NBV5_PAPAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A096NBV5, Species PAPAN (Papio anubis, Olive baboon), Gene TTBK2, Length 1,244 aa.

						>A0A096NBV5_PAPAN|A0A096NBV5|TTBK2
MSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEKTGNDGSLTTTTTSTTPQLHTRLTPAAIGIANATPIPGDLLRENTDEVFPDEQLSDGENGIPVGVSPDKLPGSLGHPRPQEKDVWEEMDANKNKIKLGICKAATEEENSHGQANGLLNAASLGSPVRVRSEITQPDRDIPLVRKLRSIHSFELEKRLTLEPKPDTDKFLETCLEKMQKDTSAGKESILPALLHKPCVPAVSRTDHIWHYDEEYLPDVSKPASANTPEQADGGGSNGFIAVNLSSCKQEIDSKEWVIVDKEQDLQDFRTNEAVGHKTTGSPSDEEPEVLQVLEASPQDEKLQLGPWAENDHLKKETSGVVLALSAEGPPTAASEQYTDRLELQPGAASQFIAATPTSLMEAQAEGPLTAITIPRPSVASTQSTSGSFHYGQQPEKKDLQPMEPTVELYSPRENFSGLAVTEGEPPSGGSRTDLGLQIDHIGHDVLPNIRESNKSQDLGPKELPDHNRLVVREFENLPGETEEKSILLESDNEDEKLSRGQHCMEISSLPGDLVIVEKDHSATTEPLHVTKTQTFSVVPNQDKNNEIMKLLTVGTSEISPRDIDPHVEGQIGQVAEIQKNKVSKDDDIMSEDLPGHQGDLSTFLHQEGKREKIAPRNGELFHCVSENEHGAPTRKDMVRSSFVTRHSRIPVLAQEIDSTLESSSSVSAKEKLLQKKAYQPDLVKLLVEKRQFKSFLGDLSSASDKLLEEKLATVPATFCEEEVLTPFSRLTVDSHLSRSAEDSFLSPIISQSRKSKIPRPVSWVNTDQVNSSTSSQFFPRPPPGKPPTRPGVEARLRRYKVLGSSNSDSDLFSRLAQILQNGSQKPRSTSQSKSPGSPHNAKTPPKSPVVPRRSPSASPRSSSLPRTSSSSPSRAGRPHHDQRSSSPHLGRSKSPPSHSGSSSSRRSCQQEHCKPSKNGLKGSGSLHHHSASTKTPPGKSKPASKLSR
					

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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	33.3	Very low	59.9	Low	240 Å²	240	110 Å²	110	100%	1.182	69%	0.686	S	S	*	*				0	116.7	0	-73.9	157.5	60.8	0	0	107.7	G3	M1-G3 PolarHBondContact O-N 3.05Å
2	S	36.4	Very low	62.8	Low	131 Å²	131	107.1 Å²	107.1	92%	0.916	67%	0.672	S	S	*	*			trans	-89.7	84.4	-175.9	-56.7	0	0	0	0	111	G4	S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.24Å
3	G	31.9	Very low	65.4	Low	77 Å²	77	106.6 Å²	106.6	79%	0.794	67%	0.667	S	S	*	*			trans	-75.3	76.6	171.7	0	0	0	0	0	111.2	M1 G5	M1-G3 PolarHBondContact O-N 3.05Å; G3-G5 PolarHBondContact O-N 3.12Å
4	G	37.3	Very low	67.5	Low	83 Å²	83	101.9 Å²	101.9	86%	0.856	65%	0.649	S	S	*	*			trans	-72.9	42.3	172.7	0	0	0	0	0	113.3	S2	S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.24Å
5	G	34.2	Very low	69.5	Low	59 Å²	59	100.1 Å²	100.1	61%	0.608	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-78.3	136.8	170.4	0	0	0	0	0	109.6	G3 Q7	G3-G5 PolarHBondContact O-N 3.12Å; G5-Q7 PolarHBondContact O-N 3.19Å
6	E	56.5	Low	71.2	Confident	194 Å²	194	99.1 Å²	99.1	91%	0.907	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-56.5	125.4	161.8	-61.8	176.7	138.8	0	0	107.4
7	Q	65.6	Low	72.8	Confident	179 Å²	179	93.5 Å²	93.5	84%	0.836	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-63.1	127.9	169.5	-77.9	-167.3	-5.3	0	0	107.2	G5 D9	G5-Q7 PolarHBondContact O-N 3.19Å; Q7-D9 PolarHBondContact O-N 2.86Å
8	P	84	Confident	74.1	Confident	117 Å²	117	96.7 Å²	96.7	76%	0.76	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.1	-177.4	26.9	-34.1	0	0	0	109.8	I10	P8-I10 PolarHBondContact O-N 2.89Å
9	D	91.3	Very high	75.3	Confident	66 Å²	66	100.7 Å²	100.7	35%	0.353	60%	0.601	S	S	.	*			trans	-41.1	130.2	170.4	-82.3	26.9	0	0	0	111.3	Q7 L11 K26	Q7-D9 PolarHBondContact O-N 2.86Å; D9-L11 PolarHBondContact O-N 3.28Å; D9-K26 VanDerWaalsContact CG-NZ 3.32Å; D9-K26 IonicContact OD1-NZ 3.59Å; D9-K26 PolarHBondContact OD1-NZ 3.28Å; D9-K26 WeakPolarHBondContact OD2-CD 3.48Å; D9-K26 IonicContact OD2-NZ 3.4Å
10	I	92.8	Very high	76.4	Confident	56 Å²	56	99.1 Å²	99.1	29%	0.287	58%	0.583	S	S	.	*	S	Bend	trans	-57.9	-35.8	179.3	-62.5	168.4	0	0	0	110.1	P8 E34 V51 F89	P8-I10 PolarHBondContact O-N 2.89Å; I10-E34 WeakPolarHBondContact CB-OE2 3.06Å; I10-E34 HydrophobicContact CD1-CG 4.07Å; I10-E34 WeakPolarHBondContact CG1-OE2 3.5Å; I10-E34 PolarHBondContact N-OE2 3.1Å; I10-V51 HydrophobicContact CB-CG2 4.01Å; I10-V51 HydrophobicContact CD1-CG2 4.21Å; I10-V51 HydrophobicContact CG2-CG2 3.91Å; I10-F89 HydrophobicContact CG2-CB 3.84Å; I10-F89 HydrophobicContact CG2-CG 4.34Å
11	L	95.3	Very high	77.5	Confident	8 Å²	8	94.8 Å²	94.8	4%	0.042	56%	0.557	C	S	.	*	S	Bend	trans	-126.2	128.5	172	-60.5	-179.8	0	0	0	111.8	D9 I15 V17 V23 Y36 L49 V51 F89	D9-L11 PolarHBondContact O-N 3.28Å; L11-I15 HydrophobicContact CD2-CG2 4.11Å; L11-V17 HydrophobicContact CD1-CG2 3.78Å; L11-V23 HydrophobicContact CB-CG2 4.17Å; L11-V23 HydrophobicContact CD1-CG2 3.92Å; L11-Y36 HydrophobicContact CB-CE1 4.41Å; L11-Y36 HydrophobicContact CB-CE2 4.14Å; L11-Y36 PolarHBondContact N-OH 2.99Å; L11-Y36 VanDerWaalsContact O-CE1 3.25Å; L11-Y36 WeakPolarHBondContact O-CE1 3.38Å; L11-Y36 VanDerWaalsContact O-CZ 3.3Å; L11-Y36 PolarHBondContact O-OH 3.02Å; L11-L49 HydrophobicContact CD1-CD2 3.81Å; L11-V51 HydrophobicContact CD1-CG1 3.71Å; L11-V51 HydrophobicContact CD1-CG2 4.42Å; L11-V51 HydrophobicContact CG-CG1 4.45Å; L11-V51 HydrophobicContact CG-CG2 4.42Å; L11-F89 HydrophobicContact CD2-CD1 4.14Å; L11-F89 HydrophobicContact CD2-CE1 3.66Å; L11-F89 HydrophobicContact CD2-CE2 4.38Å; L11-F89 HydrophobicContact CD2-CZ 3.8Å
12	S	94.9	Very high	80.6	Confident	75 Å²	75	87.6 Å²	87.6	52%	0.524	52%	0.519	S	S	.	.			trans	-78.2	156.2	169.6	-46.7	0	0	0	0	111.9	I15	S12-I15 WeakPolarHBondContact O-CB 3.32Å; S12-I15 WeakPolarHBondContact O-CG1 3.42Å; S12-I15 PolarHBondContact O-N 3.3Å
13	V	96.6	Very high	83.5	Confident	101 Å²	101	81.4 Å²	81.4	61%	0.612	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	139.3	170.3	172.4	0	0	0	0	110.8	I15 L24	V13-I15 VanDerWaalsContact C-N 3.34Å; V13-L24 WeakPolarHBondContact CG1-O 3.5Å; V13-L24 WeakPolarHBondContact CG2-O 3.48Å
14	G	95.3	Very high	86.7	Confident	40 Å²	40	80.7 Å²	80.7	41%	0.412	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-12.7	-178.3	0	0	0	0	0	115	V23	G14-V23 PolarHBondContact N-O 2.87Å
15	I	96.9	Very high	89.5	Confident	76 Å²	76	81.4 Å²	81.4	39%	0.39	43%	0.431	S	S	.	.			trans	-63	138.5	174.7	-64.6	-67.2	0	0	0	110.4	L11 S12 V13 V17 K22 V23	L11-I15 HydrophobicContact CD2-CG2 4.11Å; S12-I15 WeakPolarHBondContact O-CB 3.32Å; S12-I15 WeakPolarHBondContact O-CG1 3.42Å; S12-I15 PolarHBondContact O-N 3.3Å; V13-I15 VanDerWaalsContact C-N 3.34Å; I15-V17 HydrophobicContact CG2-CG2 4.47Å; I15-K22 CarbonylContact O-C 3.53Å; I15-K22 WeakPolarHBondContact O-CA 3.38Å; I15-V23 HydrophobicContact CB-CG2 4.37Å; I15-V23 WeakPolarHBondContact O-CG2 3.37Å; I15-V23 PolarHBondContact O-N 3.37Å
16	L	97.3	Very high	92.5	Very high	83 Å²	83	82.2 Å²	82.2	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.9	178.8	-173.6	68.6	0	0	0	109.6	E19 K22 M41	L16-E19 HydrophobicContact CD2-CB 4.45Å; L16-K22 HydrophobicContact CD1-CB 3.84Å; L16-M41 HydrophobicContact CD1-CG 3.99Å
17	V	97.5	Very high	94.3	Very high	5 Å²	5	76.2 Å²	76.2	3%	0.03	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.9	-179.8	-179.5	0	0	0	0	110.1	L11 I15 E19 R20 W21 L49 F89 Y91	L11-V17 HydrophobicContact CD1-CG2 3.78Å; I15-V17 HydrophobicContact CG2-CG2 4.47Å; V17-E19 PolarHBondContact O-N 3.22Å; V17-E19 VanDerWaalsContact O-N 3.12Å; V17-R20 PolarHBondContact O-N 2.98Å; V17-W21 HydrophobicContact CB-CB 4.45Å; V17-W21 HydrophobicContact CG1-CE3 4.45Å; V17-W21 PolarHBondContact N-O 3.25Å; V17-W21 PolarHBondContact O-N 3.42Å; V17-L49 HydrophobicContact CG2-CD2 3.97Å; V17-F89 HydrophobicContact CG1-CE2 4.1Å; V17-F89 HydrophobicContact CG1-CZ 4.27Å; V17-F89 HydrophobicContact CG2-CE2 4.41Å; V17-F89 HydrophobicContact CG2-CZ 4.19Å; V17-Y91 HydrophobicContact CG1-CD1 4.13Å; V17-Y91 HydrophobicContact CG1-CD2 4.13Å; V17-Y91 HydrophobicContact CG1-CE1 4Å; V17-Y91 HydrophobicContact CG1-CE2 4Å; V17-Y91 HydrophobicContact CG1-CG 4.2Å
18	K	96.4	Very high	95.5	Very high	150 Å²	150	69 Å²	69	65%	0.652	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	38.5	-175.2	-157.2	-163.5	176.1	-177.9	0	113	R20 W21	K18-R20 PolarHBondContact O-N 3.19Å; K18-W21 HydrophobicContact CB-CE3 4.13Å; K18-W21 HydrophobicContact CB-CZ3 3.81Å; K18-W21 HydrophobicContact CD-CH2 4.45Å; K18-W21 HydrophobicContact CD-CZ3 4.04Å
19	E	96.4	Very high	95.5	Very high	174 Å²	174	66.1 Å²	66.1	81%	0.813	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	8.4	-178	-55.6	-169.1	169.7	0	0	115.6	L16 V17	L16-E19 HydrophobicContact CD2-CB 4.45Å; V17-E19 PolarHBondContact O-N 3.22Å; V17-E19 VanDerWaalsContact O-N 3.12Å
20	R	98.1	Very high	94.9	Very high	68 Å²	68	65.5 Å²	65.5	26%	0.257	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-43	-172.2	-179.1	173.6	166.5	-174.6	-10.8	113.9	V17 K18 D40 M41 L42	V17-R20 PolarHBondContact O-N 2.98Å; K18-R20 PolarHBondContact O-N 3.19Å; R20-D40 VanDerWaalsContact CG-OD1 3.31Å; R20-D40 WeakPolarHBondContact CG-OD1 3.28Å; R20-D40 IonicContact CZ-OD1 2.78Å; R20-D40 IonicContact CZ-OD2 2.74Å; R20-D40 VanDerWaalsContact NE-CG 3.3Å; R20-D40 IonicContact NE-OD1 3.33Å; R20-D40 PolarHBondContact NE-OD1 3.28Å; R20-D40 IonicContact NE-OD2 2.99Å; R20-D40 PolarHBondContact NE-OD2 3.43Å; R20-D40 IonicContact NH2-OD1 2.65Å; R20-D40 IonicContact NH2-OD2 3.61Å; R20-D40 PolarHBondContact NH2-OD2 2.9Å; R20-M41 VanDerWaalsContact O-CB 3.28Å; R20-M41 WeakPolarHBondContact O-CB 3.34Å; R20-M41 VanDerWaalsContact O-CG 3.25Å; R20-M41 WeakPolarHBondContact O-CG 3.38Å; R20-M41 PolarHBondContact O-N 3.41Å; R20-L42 HydrophobicContact CG-CB 4.3Å
21	W	98.5	Very high	94.1	Very high	8 Å²	8	65.7 Å²	65.7	3%	0.03	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105.3	-171	-58.1	-67.7	0	0	0	111.9	V17 K18 L39 D40 I81 Y91 V93	V17-W21 HydrophobicContact CB-CB 4.45Å; V17-W21 HydrophobicContact CG1-CE3 4.45Å; V17-W21 PolarHBondContact N-O 3.25Å; V17-W21 PolarHBondContact O-N 3.42Å; K18-W21 HydrophobicContact CB-CE3 4.13Å; K18-W21 HydrophobicContact CB-CZ3 3.81Å; K18-W21 HydrophobicContact CD-CH2 4.45Å; K18-W21 HydrophobicContact CD-CZ3 4.04Å; W21-L39 WeakPolarHBondContact CA-O 3.37Å; W21-D40 PolarHBondContact NE1-OD2 3.06Å; W21-I81 HydrophobicContact CZ2-CG2 4.35Å; W21-Y91 HydrophobicContact CE3-CE2 4.12Å; W21-Y91 AromaticContact CZ3-CE2 3.71Å; W21-Y91 HydrophobicContact CZ3-CE2 3.71Å; W21-V93 HydrophobicContact CD2-CG1 4.34Å; W21-V93 HydrophobicContact CD2-CG2 3.8Å; W21-V93 HydrophobicContact CE3-CG2 3.9Å; W21-V93 HydrophobicContact CG-CG1 4.33Å; W21-V93 HydrophobicContact CG-CG2 4.35Å; W21-V93 HydrophobicContact CH2-CG2 4.15Å; W21-V93 HydrophobicContact CZ2-CB 4.43Å; W21-V93 HydrophobicContact CZ2-CG1 4.5Å; W21-V93 HydrophobicContact CZ2-CG2 4.08Å; W21-V93 HydrophobicContact CZ3-CG2 4.08Å
22	K	98.5	Very high	93.3	Very high	89 Å²	89	69.1 Å²	69.1	39%	0.387	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.2	-176.8	-173.1	-178.6	179.8	-179.4	0	111	I15 L16 L24 A38 L39 M41	I15-K22 CarbonylContact O-C 3.53Å; I15-K22 WeakPolarHBondContact O-CA 3.38Å; L16-K22 HydrophobicContact CD1-CB 3.84Å; K22-L24 PolarHBondContact O-N 2.95Å; K22-A38 CarbonylContact O-C 3.49Å; K22-A38 WeakPolarHBondContact O-CA 3.45Å; K22-A38 WeakPolarHBondContact O-CB 3.49Å; K22-L39 HydrophobicContact CB-CB 4.47Å; K22-L39 PolarHBondContact N-O 3.48Å; K22-L39 PolarHBondContact O-N 2.84Å; K22-M41 HydrophobicContact CB-CG 4.44Å; K22-M41 HydrophobicContact CB-SD 4.4Å
23	V	98.5	Very high	93	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	123.3	177	-178.2	0	0	0	0	110.5	L11 G14 I15 Y36 L49	L11-V23 HydrophobicContact CB-CG2 4.17Å; L11-V23 HydrophobicContact CD1-CG2 3.92Å; G14-V23 PolarHBondContact N-O 2.87Å; I15-V23 HydrophobicContact CB-CG2 4.37Å; I15-V23 WeakPolarHBondContact O-CG2 3.37Å; I15-V23 PolarHBondContact O-N 3.37Å; V23-Y36 HydrophobicContact CG1-CD1 3.41Å; V23-Y36 VanDerWaalsContact CG1-CD1 3.41Å; V23-Y36 HydrophobicContact CG1-CE1 3.98Å; V23-Y36 HydrophobicContact CG1-CG 3.99Å; V23-L49 HydrophobicContact CG2-CD2 3.89Å
24	L	98	Very high	92.9	Very high	63 Å²	63	62.2 Å²	62.2	33%	0.33	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-43.3	177.3	-55.2	179.8	0	0	0	112	V13 K22 D37 L39 N46	V13-L24 WeakPolarHBondContact CG1-O 3.5Å; V13-L24 WeakPolarHBondContact CG2-O 3.48Å; K22-L24 PolarHBondContact O-N 2.95Å; L24-D37 WeakPolarHBondContact CA-O 3.16Å; L24-D37 WeakPolarHBondContact CB-O 3.32Å; L24-D37 PolarHBondContact N-O 3.35Å; L24-L39 HydrophobicContact CD1-CB 4.15Å; L24-L39 HydrophobicContact CD2-CB 4.09Å; L24-L39 HydrophobicContact CG-CB 4.28Å; L24-N46 WeakPolarHBondContact CD1-ND2 3.23Å
25	R	97.1	Very high	93	Very high	98 Å²	98	62.5 Å²	62.5	37%	0.37	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	150.1	-179.5	58.2	-174.9	175	108.3	8.4	111.2	I27 Y36 D37	R25-I27 HydrophobicContact CG-CG2 4.14Å; R25-Y36 CarbonylContact O-C 3.43Å; R25-Y36 VanDerWaalsContact O-CA 3.31Å; R25-Y36 WeakPolarHBondContact O-CA 3.23Å; R25-D37 HydrophobicContact CG-CB 3.82Å; R25-D37 IonicContact CZ-OD2 3.63Å; R25-D37 PolarHBondContact N-O 3.24Å; R25-D37 IonicContact NE-OD2 3.59Å; R25-D37 PolarHBondContact NE-OD2 3.39Å; R25-D37 IonicContact NH2-OD2 3.22Å; R25-D37 PolarHBondContact NH2-OD2 3.44Å; R25-D37 PolarHBondContact O-N 3.45Å
26	K	96.2	Very high	93	Very high	76 Å²	76	58.9 Å²	58.9	33%	0.33	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.3	165	-156.4	-178.6	-152.7	170.2	0	109	D9 E34 Y36	D9-K26 VanDerWaalsContact CG-NZ 3.32Å; D9-K26 IonicContact OD1-NZ 3.59Å; D9-K26 PolarHBondContact OD1-NZ 3.28Å; D9-K26 WeakPolarHBondContact OD2-CD 3.48Å; D9-K26 IonicContact OD2-NZ 3.4Å; K26-E34 VanDerWaalsContact CE-OE1 3.25Å; K26-E34 WeakPolarHBondContact CE-OE1 3.35Å; K26-E34 IonicContact NZ-OE1 2.77Å; K26-E34 PolarHBondContact NZ-OE1 3.21Å; K26-Y36 HydrophobicContact CB-CD1 4.01Å; K26-Y36 HydrophobicContact CB-CE1 3.89Å; K26-Y36 HydrophobicContact CG-CD1 4.28Å; K26-Y36 HydrophobicContact CG-CE1 3.97Å
27	I	94.6	Very high	93.1	Very high	67 Å²	67	55.3 Å²	55.3	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-13.1	175.2	59.3	169.6	0	0	0	112.9	R25 I35 D37 L96	R25-I27 HydrophobicContact CG-CG2 4.14Å; I27-I35 HydrophobicContact CD1-CG1 4.18Å; I27-I35 HydrophobicContact CG1-CG1 4.14Å; I27-I35 HydrophobicContact CG1-CG2 4.24Å; I27-I35 VanDerWaalsContact CG1-O 3.32Å; I27-I35 WeakPolarHBondContact CG1-O 3.36Å; I27-I35 PolarHBondContact N-O 3.26Å; I27-D37 HydrophobicContact CG2-CB 3.68Å; I27-L96 HydrophobicContact CD1-CD1 3.63Å
28	G	90.6	Very high	93.1	Very high	28 Å²	28	55 Å²	55	29%	0.289	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	173.1	170.4	0	0	0	0	0	112.1	I35	G28-I35 PolarHBondContact N-O 3.47Å; G28-I35 PolarHBondContact O-N 2.95Å
29	G	84.7	Confident	93.2	Very high	57 Å²	57	49.7 Å²	49.7	59%	0.588	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	175.9	163.8	173.6	0	0	0	0	0	112.9	G33	G29-G33 CarbonylContact C-O 3.44Å; G29-G33 WeakPolarHBondContact CA-O 3.43Å
30	G	79.8	Confident	93.3	Very high	52 Å²	52	41.5 Å²	41.5	54%	0.536	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	180	-164.1	179.9	0	0	0	0	0	111.7	F32 G33	G30-F32 PolarHBondContact O-N 2.88Å; G30-G33 PolarHBondContact N-O 3.01Å; G30-G33 PolarHBondContact O-N 3.39Å; G30-G33 VanDerWaalsContact O-O 3.09Å
31	G	74.5	Confident	93.3	Very high	61 Å²	61	42.1 Å²	42.1	63%	0.629	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.2	-174.6	0	0	0	0	0	115.9	Q56	G31-Q56 PolarHBondContact O-NE2 3.41Å
32	F	78.4	Confident	93.2	Very high	80 Å²	80	47.7 Å²	47.7	35%	0.351	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	16.1	178.5	-53.7	-61.2	0	0	0	113.7	G30 V60 L166	G30-F32 PolarHBondContact O-N 2.88Å; F32-V60 HydrophobicContact CB-CG2 4.28Å; F32-L166 HydrophobicContact CD2-CD2 4.48Å; F32-L166 HydrophobicContact CE1-CD2 4.37Å; F32-L166 HydrophobicContact CE2-CD1 4.28Å; F32-L166 HydrophobicContact CE2-CD2 3.91Å; F32-L166 HydrophobicContact CE2-CG 4.31Å; F32-L166 HydrophobicContact CZ-CD2 3.86Å
33	G	89	Confident	93.1	Very high	7 Å²	7	46.5 Å²	46.5	7%	0.072	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.3	-169	178.8	0	0	0	0	0	113.9	G29 G30 V51	G29-G33 CarbonylContact C-O 3.44Å; G29-G33 WeakPolarHBondContact CA-O 3.43Å; G30-G33 PolarHBondContact N-O 3.01Å; G30-G33 PolarHBondContact O-N 3.39Å; G30-G33 VanDerWaalsContact O-O 3.09Å; G33-V51 CarbonylContact C-O 3.54Å; G33-V51 WeakPolarHBondContact CA-O 3.45Å
34	E	94.8	Very high	93.1	Very high	24 Å²	24	54.8 Å²	54.8	11%	0.112	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.2	-164.4	-56.5	-171.8	133.5	0	0	110.4	I10 K26 Y36 K50 V51	I10-E34 WeakPolarHBondContact CB-OE2 3.06Å; I10-E34 HydrophobicContact CD1-CG 4.07Å; I10-E34 WeakPolarHBondContact CG1-OE2 3.5Å; I10-E34 PolarHBondContact N-OE2 3.1Å; K26-E34 VanDerWaalsContact CE-OE1 3.25Å; K26-E34 WeakPolarHBondContact CE-OE1 3.35Å; K26-E34 IonicContact NZ-OE1 2.77Å; K26-E34 PolarHBondContact NZ-OE1 3.21Å; E34-Y36 HydrophobicContact CB-CE2 3.75Å; E34-Y36 PolarHBondContact OE2-OH 3.38Å; E34-Y36 VanDerWaalsContact OE2-OH 3.08Å; E34-K50 CarbonylContact O-C 3.58Å; E34-K50 WeakPolarHBondContact O-CA 3.18Å; E34-V51 HydrophobicContact CB-CG2 4.17Å; E34-V51 PolarHBondContact N-O 2.66Å; E34-V51 PolarHBondContact O-N 3.2Å
35	I	96.6	Very high	93	Very high	45 Å²	45	55.1 Å²	55.1	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.7	-176.6	-174.5	169.5	0	0	0	111	I27 G28 A48 L49 K50 M94	I27-I35 HydrophobicContact CD1-CG1 4.18Å; I27-I35 HydrophobicContact CG1-CG1 4.14Å; I27-I35 HydrophobicContact CG1-CG2 4.24Å; I27-I35 VanDerWaalsContact CG1-O 3.32Å; I27-I35 WeakPolarHBondContact CG1-O 3.36Å; I27-I35 PolarHBondContact N-O 3.26Å; G28-I35 PolarHBondContact N-O 3.47Å; G28-I35 PolarHBondContact O-N 2.95Å; I35-A48 HydrophobicContact CD1-CB 4.44Å; I35-L49 WeakPolarHBondContact CA-O 3.24Å; I35-K50 HydrophobicContact CB-CB 4.3Å; I35-K50 HydrophobicContact CB-CG 4.21Å; I35-K50 HydrophobicContact CD1-CB 4.36Å; I35-K50 HydrophobicContact CG1-CB 4.22Å; I35-M94 HydrophobicContact CD1-CE 4.12Å
36	Y	97.9	Very high	93.1	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.6	-170.3	-62.5	-95	0	0	0	111.2	L11 V23 R25 K26 E34 A48 L49 V51	L11-Y36 HydrophobicContact CB-CE1 4.41Å; L11-Y36 HydrophobicContact CB-CE2 4.14Å; L11-Y36 PolarHBondContact N-OH 2.99Å; L11-Y36 VanDerWaalsContact O-CE1 3.25Å; L11-Y36 WeakPolarHBondContact O-CE1 3.38Å; L11-Y36 VanDerWaalsContact O-CZ 3.3Å; L11-Y36 PolarHBondContact O-OH 3.02Å; V23-Y36 HydrophobicContact CG1-CD1 3.41Å; V23-Y36 VanDerWaalsContact CG1-CD1 3.41Å; V23-Y36 HydrophobicContact CG1-CE1 3.98Å; V23-Y36 HydrophobicContact CG1-CG 3.99Å; R25-Y36 CarbonylContact O-C 3.43Å; R25-Y36 VanDerWaalsContact O-CA 3.31Å; R25-Y36 WeakPolarHBondContact O-CA 3.23Å; K26-Y36 HydrophobicContact CB-CD1 4.01Å; K26-Y36 HydrophobicContact CB-CE1 3.89Å; K26-Y36 HydrophobicContact CG-CD1 4.28Å; K26-Y36 HydrophobicContact CG-CE1 3.97Å; E34-Y36 HydrophobicContact CB-CE2 3.75Å; E34-Y36 PolarHBondContact OE2-OH 3.38Å; E34-Y36 VanDerWaalsContact OE2-OH 3.08Å; Y36-A48 WeakPolarHBondContact O-CA 3.45Å; Y36-L49 PolarHBondContact N-O 2.85Å; Y36-L49 PolarHBondContact O-N 3.28Å; Y36-V51 HydrophobicContact CD2-CG2 4.41Å; Y36-V51 HydrophobicContact CE2-CG2 3.83Å
37	D	98.3	Very high	93.2	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.7	158.3	170.5	17.7	0	0	0	107.1	L24 R25 I27 N46 L96	L24-D37 WeakPolarHBondContact CA-O 3.16Å; L24-D37 WeakPolarHBondContact CB-O 3.32Å; L24-D37 PolarHBondContact N-O 3.35Å; R25-D37 HydrophobicContact CG-CB 3.82Å; R25-D37 IonicContact CZ-OD2 3.63Å; R25-D37 PolarHBondContact N-O 3.24Å; R25-D37 IonicContact NE-OD2 3.59Å; R25-D37 PolarHBondContact NE-OD2 3.39Å; R25-D37 IonicContact NH2-OD2 3.22Å; R25-D37 PolarHBondContact NH2-OD2 3.44Å; R25-D37 PolarHBondContact O-N 3.45Å; I27-D37 HydrophobicContact CG2-CB 3.68Å; D37-N46 PolarHBondContact OD1-ND2 3.39Å; D37-L96 HydrophobicContact CB-CD2 4.03Å; D37-L96 WeakPolarHBondContact OD1-CD2 3.33Å
38	A	98.6	Very high	93.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.9	-176.9	0	0	0	0	0	110.5	K22 N46 V47 L49	K22-A38 CarbonylContact O-C 3.49Å; K22-A38 WeakPolarHBondContact O-CA 3.45Å; K22-A38 WeakPolarHBondContact O-CB 3.49Å; A38-N46 CarbonylContact O-C 3.58Å; A38-N46 WeakPolarHBondContact O-CA 3.26Å; A38-V47 HydrophobicContact CB-CG2 4.32Å; A38-V47 PolarHBondContact N-O 3.46Å; A38-V47 WeakPolarHBondContact O-CG2 3.29Å; A38-V47 PolarHBondContact O-N 3.25Å; A38-L49 HydrophobicContact CB-CB 4.09Å; A38-L49 HydrophobicContact CB-CD2 4.34Å
39	L	98.4	Very high	93.7	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.199	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.2	171.5	179	61.6	0	0	0	109.5	W21 K22 L24 M41 R44	W21-L39 WeakPolarHBondContact CA-O 3.37Å; K22-L39 HydrophobicContact CB-CB 4.47Å; K22-L39 PolarHBondContact N-O 3.48Å; K22-L39 PolarHBondContact O-N 2.84Å; L24-L39 HydrophobicContact CD1-CB 4.15Å; L24-L39 HydrophobicContact CD2-CB 4.09Å; L24-L39 HydrophobicContact CG-CB 4.28Å; L39-M41 HydrophobicContact CD2-SD 3.88Å; L39-M41 HydrophobicContact CG-SD 4.23Å; L39-M41 PolarHBondContact O-N 3.16Å; L39-R44 WeakPolarHBondContact CD1-O 3.47Å
40	D	98.4	Very high	94.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.2	164.1	-167	-37.6	0	0	0	108.8	R20 W21 L42 T43 R44 E45 V47	R20-D40 VanDerWaalsContact CG-OD1 3.31Å; R20-D40 WeakPolarHBondContact CG-OD1 3.28Å; R20-D40 IonicContact CZ-OD1 2.78Å; R20-D40 IonicContact CZ-OD2 2.74Å; R20-D40 VanDerWaalsContact NE-CG 3.3Å; R20-D40 IonicContact NE-OD1 3.33Å; R20-D40 PolarHBondContact NE-OD1 3.28Å; R20-D40 IonicContact NE-OD2 2.99Å; R20-D40 PolarHBondContact NE-OD2 3.43Å; R20-D40 IonicContact NH2-OD1 2.65Å; R20-D40 IonicContact NH2-OD2 3.61Å; R20-D40 PolarHBondContact NH2-OD2 2.9Å; W21-D40 PolarHBondContact NE1-OD2 3.06Å; D40-L42 PolarHBondContact O-N 3.27Å; D40-L42 WeakPolarHBondContact OD1-CB 3.34Å; D40-L42 PolarHBondContact OD1-N 3.31Å; D40-T43 WeakPolarHBondContact CB-OG1 3.41Å; D40-T43 PolarHBondContact OD1-N 3.37Å; D40-R44 WeakPolarHBondContact O-CA 3.33Å; D40-R44 PolarHBondContact O-N 3.17Å; D40-E45 WeakPolarHBondContact CB-O 3.45Å; D40-E45 PolarHBondContact N-O 3.06Å; D40-V47 HydrophobicContact CB-CG1 4.03Å; D40-V47 HydrophobicContact CB-CG2 4.31Å
41	M	97.8	Very high	95.1	Very high	81 Å²	81	40.7 Å²	40.7	40%	0.399	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.2	-177.4	-65.9	-65.1	-60	0	0	112.9	L16 R20 K22 L39	L16-M41 HydrophobicContact CD1-CG 3.99Å; R20-M41 VanDerWaalsContact O-CB 3.28Å; R20-M41 WeakPolarHBondContact O-CB 3.34Å; R20-M41 VanDerWaalsContact O-CG 3.25Å; R20-M41 WeakPolarHBondContact O-CG 3.38Å; R20-M41 PolarHBondContact O-N 3.41Å; K22-M41 HydrophobicContact CB-CG 4.44Å; K22-M41 HydrophobicContact CB-SD 4.4Å; L39-M41 HydrophobicContact CD2-SD 3.88Å; L39-M41 HydrophobicContact CG-SD 4.23Å; L39-M41 PolarHBondContact O-N 3.16Å
42	L	96.9	Very high	96.2	Very high	126 Å²	126	37.8 Å²	37.8	66%	0.66	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-55.4	178.2	-177.4	66.7	0	0	0	111.3	R20 D40	R20-L42 HydrophobicContact CG-CB 4.3Å; D40-L42 PolarHBondContact O-N 3.27Å; D40-L42 WeakPolarHBondContact OD1-CB 3.34Å; D40-L42 PolarHBondContact OD1-N 3.31Å
43	T	97	Very high	96.9	Very high	63 Å²	63	35.4 Å²	35.4	39%	0.387	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-11.3	-178.1	63.7	0	0	0	0	113.6	D40 E45	D40-T43 WeakPolarHBondContact CB-OG1 3.41Å; D40-T43 PolarHBondContact OD1-N 3.37Å; T43-E45 PolarHBondContact O-N 3.32Å; T43-E45 PolarHBondContact OG1-N 3.47Å
44	R	97.2	Very high	97.1	Very high	175 Å²	175	35.7 Å²	35.7	66%	0.66	18%	0.178	S	C	*	.			trans	63.6	11.1	-172.2	-54.4	-56.4	-156.5	141.2	8.6	115.1	L39 D40	L39-R44 WeakPolarHBondContact CD1-O 3.47Å; D40-R44 WeakPolarHBondContact O-CA 3.33Å; D40-R44 PolarHBondContact O-N 3.17Å
45	E	96.5	Very high	97	Very high	70 Å²	70	41.4 Å²	41.4	33%	0.327	21%	0.205	S	C	.	.			trans	-89.5	149.3	177.2	-61.2	-160.5	120.4	0	0	113.3	D40 T43	D40-E45 WeakPolarHBondContact CB-O 3.45Å; D40-E45 PolarHBondContact N-O 3.06Å; T43-E45 PolarHBondContact O-N 3.32Å; T43-E45 PolarHBondContact OG1-N 3.47Å
46	N	98.1	Very high	96.6	Very high	56 Å²	56	41.6 Å²	41.6	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	125.5	163.9	-75.4	64	0	0	0	110.4	L24 D37 A38 L96 R151	L24-N46 WeakPolarHBondContact CD1-ND2 3.23Å; D37-N46 PolarHBondContact OD1-ND2 3.39Å; A38-N46 CarbonylContact O-C 3.58Å; A38-N46 WeakPolarHBondContact O-CA 3.26Å; N46-L96 HydrophobicContact CB-CD2 4.17Å; N46-R151 VanDerWaalsContact O-CZ 3.23Å; N46-R151 PolarHBondContact O-NH1 3.43Å; N46-R151 PolarHBondContact O-NH2 2.91Å
47	V	98.5	Very high	96.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.1	-178.1	-61.1	0	0	0	0	111.5	A38 D40 I81 V93	A38-V47 HydrophobicContact CB-CG2 4.32Å; A38-V47 PolarHBondContact N-O 3.46Å; A38-V47 WeakPolarHBondContact O-CG2 3.29Å; A38-V47 PolarHBondContact O-N 3.25Å; D40-V47 HydrophobicContact CB-CG1 4.03Å; D40-V47 HydrophobicContact CB-CG2 4.31Å; V47-I81 HydrophobicContact CB-CD1 4.13Å; V47-I81 HydrophobicContact CG1-CD1 3.51Å; V47-V93 HydrophobicContact CB-CG1 3.97Å; V47-V93 HydrophobicContact CG2-CG1 3.62Å
48	A	98.5	Very high	95.6	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.9	176.3	0	0	0	0	0	109	I35 Y36 V93 M94 L96	I35-A48 HydrophobicContact CD1-CB 4.44Å; Y36-A48 WeakPolarHBondContact O-CA 3.45Å; A48-V93 WeakPolarHBondContact O-CA 3.45Å; A48-M94 HydrophobicContact CB-CG 3.98Å; A48-M94 PolarHBondContact N-O 2.85Å; A48-M94 PolarHBondContact O-N 2.65Å; A48-L96 HydrophobicContact CB-CB 4.03Å; A48-L96 HydrophobicContact CB-CD1 4.12Å
49	L	98.3	Very high	95.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	110.1	177.8	172.5	70.9	0	0	0	108.7	L11 V17 V23 I35 Y36 A38 V51 Y91 V92 V93	L11-L49 HydrophobicContact CD1-CD2 3.81Å; V17-L49 HydrophobicContact CG2-CD2 3.97Å; V23-L49 HydrophobicContact CG2-CD2 3.89Å; I35-L49 WeakPolarHBondContact CA-O 3.24Å; Y36-L49 PolarHBondContact N-O 2.85Å; Y36-L49 PolarHBondContact O-N 3.28Å; A38-L49 HydrophobicContact CB-CB 4.09Å; A38-L49 HydrophobicContact CB-CD2 4.34Å; L49-V51 HydrophobicContact CD1-CG1 4.26Å; L49-V51 HydrophobicContact CG-CG1 4.09Å; L49-Y91 HydrophobicContact CD1-CD2 3.93Å; L49-Y91 HydrophobicContact CD1-CG 4.34Å; L49-V92 WeakPolarHBondContact CA-O 3.19Å; L49-V93 HydrophobicContact CD1-CG2 3.88Å
50	K	97.6	Very high	95.1	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.057	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136	173.9	-168.8	-176.5	-170.8	-171.5	0	109.8	E34 I35 L61 E64 Y91 V92 M94 D163	E34-K50 CarbonylContact O-C 3.58Å; E34-K50 WeakPolarHBondContact O-CA 3.18Å; I35-K50 HydrophobicContact CB-CB 4.3Å; I35-K50 HydrophobicContact CB-CG 4.21Å; I35-K50 HydrophobicContact CD1-CB 4.36Å; I35-K50 HydrophobicContact CG1-CB 4.22Å; K50-L61 HydrophobicContact CD-CD2 3.8Å; K50-L61 HydrophobicContact CG-CD2 4.07Å; K50-E64 IonicContact NZ-OE1 3.91Å; K50-E64 PolarHBondContact NZ-OE1 2.59Å; K50-E64 IonicContact NZ-OE2 2.89Å; K50-E64 PolarHBondContact NZ-OE2 2.96Å; K50-Y91 CarbonylContact O-C 3.49Å; K50-Y91 VanDerWaalsContact O-CA 3.25Å; K50-Y91 WeakPolarHBondContact O-CA 3.5Å; K50-V92 HydrophobicContact CB-CG1 3.82Å; K50-V92 PolarHBondContact N-O 2.85Å; K50-V92 PolarHBondContact O-N 3.04Å; K50-M94 HydrophobicContact CB-CE 4.37Å; K50-D163 IonicContact NZ-OD1 3.51Å; K50-D163 PolarHBondContact NZ-OD1 3.33Å
51	V	96.8	Very high	94.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.2	-177.2	-53.5	0	0	0	0	112	I10 L11 G33 E34 Y36 L49 F89 N90	I10-V51 HydrophobicContact CB-CG2 4.01Å; I10-V51 HydrophobicContact CD1-CG2 4.21Å; I10-V51 HydrophobicContact CG2-CG2 3.91Å; L11-V51 HydrophobicContact CD1-CG1 3.71Å; L11-V51 HydrophobicContact CD1-CG2 4.42Å; L11-V51 HydrophobicContact CG-CG1 4.45Å; L11-V51 HydrophobicContact CG-CG2 4.42Å; G33-V51 CarbonylContact C-O 3.54Å; G33-V51 WeakPolarHBondContact CA-O 3.45Å; E34-V51 HydrophobicContact CB-CG2 4.17Å; E34-V51 PolarHBondContact N-O 2.66Å; E34-V51 PolarHBondContact O-N 3.2Å; Y36-V51 HydrophobicContact CD2-CG2 4.41Å; Y36-V51 HydrophobicContact CE2-CG2 3.83Å; L49-V51 HydrophobicContact CD1-CG1 4.26Å; L49-V51 HydrophobicContact CG-CG1 4.09Å; V51-F89 HydrophobicContact CB-CD2 4.38Å; V51-F89 HydrophobicContact CG1-CD2 4.18Å; V51-N90 VanDerWaalsContact CA-O 3.27Å; V51-N90 WeakPolarHBondContact CA-O 3.36Å
52	E	95.8	Very high	94.7	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.3	169.6	88.5	-161.9	153.7	0	0	108.6	A54 Q59 V60 L61 F89 N90	E52-A54 PolarHBondContact O-N 2.92Å; E52-Q59 HydrophobicContact CG-CG 4.4Å; E52-Q59 WeakPolarHBondContact OE1-CB 3.37Å; E52-Q59 WeakPolarHBondContact OE2-CA 3.49Å; E52-V60 PolarHBondContact OE2-N 2.87Å; E52-L61 HydrophobicContact CB-CD1 3.89Å; E52-L61 HydrophobicContact CB-CG 4.05Å; E52-L61 HydrophobicContact CG-CD1 3.95Å; E52-L61 HydrophobicContact CG-CG 4.03Å; E52-L61 WeakPolarHBondContact OE1-CB 3.38Å; E52-L61 PolarHBondContact OE1-N 3.29Å; E52-L61 PolarHBondContact OE2-N 2.77Å; E52-F89 CarbonylContact O-C 3.6Å; E52-F89 WeakPolarHBondContact O-CA 3.31Å; E52-F89 VanDerWaalsContact O-CB 3.24Å; E52-F89 WeakPolarHBondContact O-CB 3.45Å; E52-N90 HydrophobicContact CG-CB 4.04Å; E52-N90 PolarHBondContact N-O 2.88Å; E52-N90 VanDerWaalsContact N-O 3.08Å; E52-N90 PolarHBondContact O-N 3.12Å; E52-N90 PolarHBondContact OE1-ND2 3.01Å
53	S	94.1	Very high	94.6	Very high	30 Å²	30	49.7 Å²	49.7	21%	0.21	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.9	177.8	175.4	0	0	0	0	110.4	Q55 Q56	S53-Q55 PolarHBondContact O-N 2.91Å; S53-Q55 PolarHBondContact OG-N 3.2Å; S53-Q56 WeakPolarHBondContact O-CB 3.42Å; S53-Q56 PolarHBondContact O-N 2.95Å
54	A	94	Very high	94.5	Very high	12 Å²	12	46.8 Å²	46.8	10%	0.099	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.2	174.5	0	0	0	0	0	112.5	E52 Q59 N86 R88	E52-A54 PolarHBondContact O-N 2.92Å; A54-Q59 PolarHBondContact O-NE2 3.18Å; A54-N86 WeakPolarHBondContact CB-O 3.46Å; A54-R88 PolarHBondContact N-O 3.01Å
55	Q	91.5	Very high	94.5	Very high	145 Å²	145	38.5 Å²	38.5	68%	0.678	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-1.4	175.1	-50.5	-60.2	-34.1	0	0	112.8	S53 D87	S53-Q55 PolarHBondContact O-N 2.91Å; S53-Q55 PolarHBondContact OG-N 3.2Å; Q55-D87 PolarHBondContact NE2-O 3.04Å
56	Q	88.7	Confident	94.5	Very high	49 Å²	49	36.8 Å²	36.8	23%	0.229	20%	0.197	C	C	.	.			trans	-67.4	137.5	170.2	-89.8	165.7	-59.9	0	0	109.9	G31 S53 K58 Q59	G31-Q56 PolarHBondContact O-NE2 3.41Å; S53-Q56 WeakPolarHBondContact O-CB 3.42Å; S53-Q56 PolarHBondContact O-N 2.95Å; Q56-K58 VanDerWaalsContact C-N 3.29Å; Q56-K58 PolarHBondContact O-N 3.23Å; Q56-Q59 PolarHBondContact O-NE2 2.99Å
57	P	87.9	Confident	94.5	Very high	141 Å²	141	34.1 Å²	34.1	92%	0.916	18%	0.183	S	C	*	.	S	Bend	trans	-70.7	-26.5	-176.5	28.5	-35.5	0	0	0	112.5
58	K	87.9	Confident	94.5	Very high	88 Å²	88	34.1 Å²	34.1	38%	0.383	18%	0.183	S	C	.	.	S	Bend	trans	-114.9	106.3	173.3	-173.9	-179.4	-179.8	-179	0	109.4	Q56 V60	Q56-K58 VanDerWaalsContact C-N 3.29Å; Q56-K58 PolarHBondContact O-N 3.23Å; K58-V60 HydrophobicContact CD-CG1 4.48Å; K58-V60 HydrophobicContact CG-CG1 4.22Å
59	Q	92.1	Very high	94.5	Very high	43 Å²	43	36.8 Å²	36.8	20%	0.201	19%	0.193	C	C	.	.			trans	-98.4	130.4	175.3	-72.9	162.3	36.8	0	0	109	E52 A54 Q56 N90	E52-Q59 HydrophobicContact CG-CG 4.4Å; E52-Q59 WeakPolarHBondContact OE1-CB 3.37Å; E52-Q59 WeakPolarHBondContact OE2-CA 3.49Å; A54-Q59 PolarHBondContact O-NE2 3.18Å; Q56-Q59 PolarHBondContact O-NE2 2.99Å; Q59-N90 PolarHBondContact OE1-ND2 3.06Å
60	V	93.5	Very high	94.4	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.055	22%	0.218	C	C	.	.			trans	-120.1	-18.3	-175.7	-60.6	0	0	0	0	112.6	F32 E52 K58 K62 M63 E64 G165	F32-V60 HydrophobicContact CB-CG2 4.28Å; E52-V60 PolarHBondContact OE2-N 2.87Å; K58-V60 HydrophobicContact CD-CG1 4.48Å; K58-V60 HydrophobicContact CG-CG1 4.22Å; V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 2.82Å; V60-M63 WeakPolarHBondContact O-CB 3.3Å; V60-M63 PolarHBondContact O-N 3.01Å; V60-E64 PolarHBondContact O-N 3.41Å; V60-G165 WeakPolarHBondContact CB-O 3.27Å
61	L	94.2	Very high	94.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-29.1	-178.7	-68	-175.1	0	0	0	113.9	K50 E52 M63 E64 V65 N90 V92	K50-L61 HydrophobicContact CD-CD2 3.8Å; K50-L61 HydrophobicContact CG-CD2 4.07Å; E52-L61 HydrophobicContact CB-CD1 3.89Å; E52-L61 HydrophobicContact CB-CG 4.05Å; E52-L61 HydrophobicContact CG-CD1 3.95Å; E52-L61 HydrophobicContact CG-CG 4.03Å; E52-L61 WeakPolarHBondContact OE1-CB 3.38Å; E52-L61 PolarHBondContact OE1-N 3.29Å; E52-L61 PolarHBondContact OE2-N 2.77Å; L61-M63 VanDerWaalsContact C-N 3.3Å; L61-M63 PolarHBondContact O-N 3.33Å; L61-E64 WeakPolarHBondContact CD2-OE2 3.21Å; L61-E64 PolarHBondContact O-N 3.2Å; L61-V65 WeakPolarHBondContact O-CB 3.34Å; L61-V65 VanDerWaalsContact O-CG2 3.27Å; L61-V65 WeakPolarHBondContact O-CG2 3.25Å; L61-V65 PolarHBondContact O-N 2.75Å; L61-N90 HydrophobicContact CB-CB 4.5Å; L61-N90 HydrophobicContact CD1-CB 4.23Å; L61-V92 HydrophobicContact CD2-CG1 4.09Å
62	K	93.9	Very high	94.5	Very high	64 Å²	64	45.1 Å²	45.1	28%	0.278	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-41	172.4	-174.9	170.1	-179.8	174.8	0	111.3	V60 A66 W383 D387	V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 2.82Å; K62-A66 WeakPolarHBondContact O-CB 3.2Å; K62-A66 PolarHBondContact O-N 2.81Å; K62-A66 VanDerWaalsContact O-N 3.15Å; K62-W383 HydrophobicContact CB-CD2 4.2Å; K62-W383 HydrophobicContact CB-CE3 4.15Å; K62-W383 HydrophobicContact CB-CH2 4.17Å; K62-W383 HydrophobicContact CB-CZ2 4.25Å; K62-W383 HydrophobicContact CB-CZ3 4.12Å; K62-W383 HydrophobicContact CD-CB 4.24Å; K62-W383 HydrophobicContact CD-CD2 4.09Å; K62-W383 HydrophobicContact CD-CE3 3.89Å; K62-W383 HydrophobicContact CD-CG 4.25Å; K62-W383 HydrophobicContact CG-CB 4.45Å; K62-W383 HydrophobicContact CG-CD2 3.8Å; K62-W383 HydrophobicContact CG-CE3 3.97Å; K62-W383 HydrophobicContact CG-CG 4Å; K62-W383 HydrophobicContact CG-CZ3 4.46Å; K62-D387 IonicContact NZ-OD2 2.66Å; K62-D387 PolarHBondContact NZ-OD2 3.38Å
63	M	94.5	Very high	94.6	Very high	79 Å²	79	49.3 Å²	49.3	39%	0.389	27%	0.274	S	S	.	.	H	α-helix	trans	-71.1	-43.5	176.4	-174.1	59.6	62.4	0	0	111.8	V60 L61 V65 A66 V67 F137	V60-M63 WeakPolarHBondContact O-CB 3.3Å; V60-M63 PolarHBondContact O-N 3.01Å; L61-M63 VanDerWaalsContact C-N 3.3Å; L61-M63 PolarHBondContact O-N 3.33Å; M63-V65 PolarHBondContact O-N 3.06Å; M63-A66 PolarHBondContact O-N 2.98Å; M63-V67 WeakPolarHBondContact O-CG2 3.47Å; M63-V67 PolarHBondContact O-N 2.9Å; M63-F137 HydrophobicContact SD-CE1 3.64Å; M63-F137 HydrophobicContact SD-CZ 4.39Å
64	E	95.8	Very high	94.7	Very high	2 Å²	2	51 Å²	51	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-37.6	178.8	176	163.5	-165.5	0	0	112.6	K50 V60 L61 L68 D163 F164	K50-E64 IonicContact NZ-OE1 3.91Å; K50-E64 PolarHBondContact NZ-OE1 2.59Å; K50-E64 IonicContact NZ-OE2 2.89Å; K50-E64 PolarHBondContact NZ-OE2 2.96Å; V60-E64 PolarHBondContact O-N 3.41Å; L61-E64 WeakPolarHBondContact CD2-OE2 3.21Å; L61-E64 PolarHBondContact O-N 3.2Å; E64-L68 WeakPolarHBondContact O-CB 3.25Å; E64-L68 PolarHBondContact O-N 3.45Å; E64-D163 WeakPolarHBondContact OE1-CA 3.23Å; E64-F164 HydrophobicContact CB-CB 4.32Å; E64-F164 HydrophobicContact CG-CB 4.01Å; E64-F164 HydrophobicContact CG-CD2 4.29Å; E64-F164 PolarHBondContact OE1-N 2.76Å
65	V	96.9	Very high	94.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-43.9	170.1	170.3	0	0	0	0	111.2	L61 M63 V67 L68 K69 F80 C83 V92 W383	L61-V65 WeakPolarHBondContact O-CB 3.34Å; L61-V65 VanDerWaalsContact O-CG2 3.27Å; L61-V65 WeakPolarHBondContact O-CG2 3.25Å; L61-V65 PolarHBondContact O-N 2.75Å; M63-V65 PolarHBondContact O-N 3.06Å; V65-V67 PolarHBondContact O-N 3.1Å; V65-L68 PolarHBondContact O-N 2.96Å; V65-K69 HydrophobicContact CG1-CD 4.21Å; V65-K69 HydrophobicContact CG1-CG 4.28Å; V65-K69 WeakPolarHBondContact O-CB 3.36Å; V65-K69 WeakPolarHBondContact O-CG 3.25Å; V65-K69 PolarHBondContact O-N 3.14Å; V65-F80 HydrophobicContact CG1-CE2 4.1Å; V65-C83 HydrophobicContact CG1-CB 4.3Å; V65-C83 HydrophobicContact CG2-CB 3.84Å; V65-V92 HydrophobicContact CG2-CB 3.74Å; V65-V92 HydrophobicContact CG2-CG2 3.71Å; V65-W383 HydrophobicContact CG2-CZ2 4.4Å
66	A	96.8	Very high	95.2	Very high	34 Å²	34	47.3 Å²	47.3	28%	0.281	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-40.3	179	0	0	0	0	0	112.6	K62 M63 K70	K62-A66 WeakPolarHBondContact O-CB 3.2Å; K62-A66 PolarHBondContact O-N 2.81Å; K62-A66 VanDerWaalsContact O-N 3.15Å; M63-A66 PolarHBondContact O-N 2.98Å; A66-K70 WeakPolarHBondContact O-CB 3.16Å; A66-K70 WeakPolarHBondContact O-CG 3.36Å; A66-K70 PolarHBondContact O-N 3.45Å; A66-K70 VanDerWaalsContact O-N 3.07Å
67	V	98	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-48.1	174	174.5	0	0	0	0	111	M63 V65 K69 K70 L71 I132 F137 F164 A167	M63-V67 WeakPolarHBondContact O-CG2 3.47Å; M63-V67 PolarHBondContact O-N 2.9Å; V65-V67 PolarHBondContact O-N 3.1Å; V67-K69 VanDerWaalsContact C-N 3.35Å; V67-K69 PolarHBondContact O-N 3.06Å; V67-K70 PolarHBondContact O-N 3.28Å; V67-L71 HydrophobicContact CG1-CD1 3.77Å; V67-L71 HydrophobicContact CG1-CG 4.44Å; V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.89Å; V67-I132 HydrophobicContact CG1-CD1 4.03Å; V67-I132 HydrophobicContact CG1-CG1 4.42Å; V67-F137 HydrophobicContact CG2-CB 4.45Å; V67-F137 HydrophobicContact CG2-CD1 3.39Å; V67-F137 HydrophobicContact CG2-CD2 4.32Å; V67-F137 HydrophobicContact CG2-CE1 3.59Å; V67-F137 HydrophobicContact CG2-CG 3.79Å; V67-F137 HydrophobicContact CG2-CZ 4.17Å; V67-F164 HydrophobicContact CB-CB 4.16Å; V67-F164 HydrophobicContact CB-CG 4.27Å; V67-F164 HydrophobicContact CG1-CB 3.95Å; V67-F164 HydrophobicContact CG1-CD1 3.57Å; V67-F164 HydrophobicContact CG1-CD2 4.26Å; V67-F164 HydrophobicContact CG1-CE1 4.1Å; V67-F164 HydrophobicContact CG1-CG 3.66Å; V67-A167 HydrophobicContact CG2-CB 4.23Å
68	L	98.2	Very high	96.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-41	179.7	-178.8	62.2	0	0	0	112.1	E64 V65 L71 Q72 V77 C78 F80 V92 M94 F164	E64-L68 WeakPolarHBondContact O-CB 3.25Å; E64-L68 PolarHBondContact O-N 3.45Å; V65-L68 PolarHBondContact O-N 2.96Å; L68-L71 PolarHBondContact O-N 3.29Å; L68-Q72 WeakPolarHBondContact O-CG 3.36Å; L68-Q72 PolarHBondContact O-N 3.07Å; L68-Q72 PolarHBondContact O-NE2 2.91Å; L68-V77 HydrophobicContact CD1-CG1 3.89Å; L68-C78 WeakPolarHBondContact CD1-O 3.38Å; L68-F80 HydrophobicContact CD2-CB 4.48Å; L68-F80 HydrophobicContact CD2-CD2 3.99Å; L68-F80 HydrophobicContact CG-CB 4.41Å; L68-F80 HydrophobicContact CG-CD2 4.41Å; L68-V92 HydrophobicContact CD2-CG2 4.05Å; L68-M94 HydrophobicContact CD2-CB 4.12Å; L68-M94 HydrophobicContact CD2-SD 4.05Å; L68-F164 HydrophobicContact CB-CD2 4.48Å; L68-F164 HydrophobicContact CB-CE2 4.46Å; L68-F164 HydrophobicContact CD1-CE2 4.07Å
69	K	97.8	Very high	96.6	Very high	60 Å²	60	39.4 Å²	39.4	26%	0.261	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-51.3	171.9	-80.5	-173.9	171.6	-165.9	0	111.7	V65 V67 L71 Q72 D381	V65-K69 HydrophobicContact CG1-CD 4.21Å; V65-K69 HydrophobicContact CG1-CG 4.28Å; V65-K69 WeakPolarHBondContact O-CB 3.36Å; V65-K69 WeakPolarHBondContact O-CG 3.25Å; V65-K69 PolarHBondContact O-N 3.14Å; V67-K69 VanDerWaalsContact C-N 3.35Å; V67-K69 PolarHBondContact O-N 3.06Å; K69-L71 PolarHBondContact O-N 2.74Å; K69-L71 VanDerWaalsContact O-N 3.13Å; K69-Q72 PolarHBondContact O-N 3.45Å; K69-Q72 VanDerWaalsContact O-N 3.14Å; K69-D381 IonicContact NZ-OD1 1.86Å; K69-D381 PolarHBondContact NZ-OD1 2.77Å
70	K	97.5	Very high	96.9	Very high	117 Å²	117	39.9 Å²	39.9	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-20.8	178.1	-81.6	175.2	170.1	-73.7	0	113.9	A66 V67 V135 F137	A66-K70 WeakPolarHBondContact O-CB 3.16Å; A66-K70 WeakPolarHBondContact O-CG 3.36Å; A66-K70 PolarHBondContact O-N 3.45Å; A66-K70 VanDerWaalsContact O-N 3.07Å; V67-K70 PolarHBondContact O-N 3.28Å; K70-V135 HydrophobicContact CB-CB 4.43Å; K70-F137 HydrophobicContact CD-CD2 4.37Å; K70-F137 HydrophobicContact CD-CE2 3.6Å; K70-F137 HydrophobicContact CD-CZ 4.32Å
71	L	98.2	Very high	97.1	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-1.9	-179.9	-76.9	177.5	0	0	0	114.6	V67 L68 K69 K74 V77 S131 I132 V135 F164	V67-L71 HydrophobicContact CG1-CD1 3.77Å; V67-L71 HydrophobicContact CG1-CG 4.44Å; V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.89Å; L68-L71 PolarHBondContact O-N 3.29Å; K69-L71 PolarHBondContact O-N 2.74Å; K69-L71 VanDerWaalsContact O-N 3.13Å; L71-K74 HydrophobicContact CD2-CD 4.01Å; L71-K74 PolarHBondContact O-N 2.7Å; L71-V77 HydrophobicContact CB-CB 4.45Å; L71-V77 HydrophobicContact CB-CG1 3.76Å; L71-V77 HydrophobicContact CB-CG2 3.95Å; L71-V77 HydrophobicContact CD1-CG2 4.27Å; L71-V77 HydrophobicContact CD2-CG2 4.46Å; L71-V77 HydrophobicContact CG-CG2 4.48Å; L71-S131 WeakPolarHBondContact CD2-O 3.42Å; L71-I132 HydrophobicContact CD1-CB 4.35Å; L71-I132 HydrophobicContact CD1-CG1 4.27Å; L71-V135 HydrophobicContact CD2-CG1 4.25Å; L71-V135 HydrophobicContact CD2-CG2 3.75Å; L71-V135 HydrophobicContact CG-CG2 4.12Å; L71-F164 HydrophobicContact CD1-CD1 4.43Å; L71-F164 HydrophobicContact CD1-CE1 3.63Å; L71-F164 HydrophobicContact CD1-CZ 3.7Å
72	Q	98.3	Very high	97.3	Very high	69 Å²	69	41.5 Å²	41.5	32%	0.322	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	146.4	174.7	-62.2	-54.9	-77.4	0	0	111	L68 K69 K74 C78 F80	L68-Q72 WeakPolarHBondContact O-CG 3.36Å; L68-Q72 PolarHBondContact O-N 3.07Å; L68-Q72 PolarHBondContact O-NE2 2.91Å; K69-Q72 PolarHBondContact O-N 3.45Å; K69-Q72 VanDerWaalsContact O-N 3.14Å; Q72-K74 VanDerWaalsContact C-N 3.27Å; Q72-K74 PolarHBondContact O-N 2.85Å; Q72-C78 PolarHBondContact NE2-O 3.21Å; Q72-F80 HydrophobicContact CG-CB 4.14Å
73	G	95.9	Very high	97.5	Very high	89 Å²	89	39.3 Å²	39.3	92%	0.918	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	-4	-173	0	0	0	0	0	115
74	K	97.8	Very high	97.6	Very high	66 Å²	66	35.8 Å²	35.8	29%	0.287	20%	0.199	S	C	.	.	S	Bend	trans	-96.2	147.4	168.9	-57.7	-161.7	-179.7	-168.8	0	111.2	L71 Q72 V77 S131 S134	L71-K74 HydrophobicContact CD2-CD 4.01Å; L71-K74 PolarHBondContact O-N 2.7Å; Q72-K74 VanDerWaalsContact C-N 3.27Å; Q72-K74 PolarHBondContact O-N 2.85Å; K74-V77 HydrophobicContact CB-CG2 4.34Å; K74-S131 PolarHBondContact NZ-O 2.87Å; K74-S134 PolarHBondContact NZ-OG 3.35Å
75	D	96.8	Very high	97.6	Very high	67 Å²	67	39 Å²	39	36%	0.358	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	167.1	170.7	-151.5	-8.1	0	0	0	111.1	V77 K158	D75-V77 PolarHBondContact O-N 2.64Å; D75-V77 VanDerWaalsContact O-N 3.17Å; D75-K158 VanDerWaalsContact CG-NZ 3.35Å; D75-K158 WeakPolarHBondContact OD1-CD 3.43Å; D75-K158 IonicContact OD1-NZ 2.68Å; D75-K158 PolarHBondContact OD1-NZ 3.07Å; D75-K158 WeakPolarHBondContact OD2-CE 3.33Å; D75-K158 IonicContact OD2-NZ 3.17Å; D75-K158 PolarHBondContact OD2-NZ 2.66Å
76	H	98.4	Very high	97.4	Very high	13 Å²	13	41.3 Å²	41.3	6%	0.06	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	15.9	-176.5	-42	-64.8	0	0	0	114.7	E127 C159 Y160 M161	H76-E127 IonicContact NE2-OE2 2.9Å; H76-C159 WeakPolarHBondContact CA-O 3.48Å; H76-C159 VanDerWaalsContact CB-O 3.28Å; H76-C159 WeakPolarHBondContact CB-O 3.32Å; H76-C159 PolarHBondContact ND1-O 2.74Å; H76-Y160 CarbonylContact O-C 3.31Å; H76-Y160 VanDerWaalsContact O-CA 3.3Å; H76-Y160 WeakPolarHBondContact O-CA 3.42Å; H76-M161 PolarHBondContact O-N 3.4Å
77	V	98.4	Very high	97.3	Very high	15 Å²	15	44.8 Å²	44.8	9%	0.091	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-120.8	139.5	178.9	179.1	0	0	0	0	109.5	L68 L71 K74 D75	L68-V77 HydrophobicContact CD1-CG1 3.89Å; L71-V77 HydrophobicContact CB-CB 4.45Å; L71-V77 HydrophobicContact CB-CG1 3.76Å; L71-V77 HydrophobicContact CB-CG2 3.95Å; L71-V77 HydrophobicContact CD1-CG2 4.27Å; L71-V77 HydrophobicContact CD2-CG2 4.46Å; L71-V77 HydrophobicContact CG-CG2 4.48Å; K74-V77 HydrophobicContact CB-CG2 4.34Å; D75-V77 PolarHBondContact O-N 2.64Å; D75-V77 VanDerWaalsContact O-N 3.17Å
78	C	98.3	Very high	97.1	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.02	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.9	138.4	174.8	-65.8	0	0	0	0	111.5	L68 Q72 F80 M94 Q95 Q97 L162	L68-C78 WeakPolarHBondContact CD1-O 3.38Å; Q72-C78 PolarHBondContact NE2-O 3.21Å; C78-F80 PolarHBondContact O-N 2.78Å; C78-M94 HydrophobicContact CB-CB 4.23Å; C78-M94 HydrophobicContact CB-CG 4.49Å; C78-M94 HydrophobicContact CB-SD 4.37Å; C78-Q95 HydrophobicContact CB-CB 4.14Å; C78-Q97 VanDerWaalsContact SG-CG 3.58Å; C78-Q97 PolarHBondContact SG-NE2 3.02Å; C78-L162 VanDerWaalsContact SG-CD2 3.54Å
79	R	97.9	Very high	97	Very high	93 Å²	93	54.5 Å²	54.5	35%	0.351	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-59.6	129.4	168.7	-172.6	167.5	75.5	130.6	-11.1	110.8	M94 Q95 D560	R79-M94 CarbonylContact O-C 3.52Å; R79-M94 VanDerWaalsContact O-CA 3.25Å; R79-M94 WeakPolarHBondContact O-CA 3.3Å; R79-M94 WeakPolarHBondContact O-CB 3.5Å; R79-Q95 HydrophobicContact CB-CB 4.15Å; R79-Q95 VanDerWaalsContact N-OE1 3.07Å; R79-Q95 PolarHBondContact O-N 3.44Å; R79-D560 IonicContact CZ-OD1 2.67Å; R79-D560 IonicContact CZ-OD2 2.66Å; R79-D560 IonicContact NH1-OD1 3.99Å; R79-D560 PolarHBondContact NH1-OD1 3.4Å; R79-D560 IonicContact NH1-OD2 2.72Å; R79-D560 PolarHBondContact NH1-OD2 3.24Å; R79-D560 IonicContact NH2-OD1 2.97Å; R79-D560 IonicContact NH2-OD2 3.4Å; R79-D560 PolarHBondContact NH2-OD2 3.41Å
80	F	98.4	Very high	97	Very high	53 Å²	53	51.7 Å²	51.7	23%	0.232	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.7	171.3	176	-101	0	0	0	109.9	V65 L68 Q72 C78 G82 C83 V92	V65-F80 HydrophobicContact CG1-CE2 4.1Å; L68-F80 HydrophobicContact CD2-CB 4.48Å; L68-F80 HydrophobicContact CD2-CD2 3.99Å; L68-F80 HydrophobicContact CG-CB 4.41Å; L68-F80 HydrophobicContact CG-CD2 4.41Å; Q72-F80 HydrophobicContact CG-CB 4.14Å; C78-F80 PolarHBondContact O-N 2.78Å; F80-G82 WeakPolarHBondContact CE2-O 3.37Å; F80-G82 VanDerWaalsContact CZ-C 3.47Å; F80-C83 HydrophobicContact CE2-CB 4.07Å; F80-C83 HydrophobicContact CZ-CB 4.14Å; F80-V92 HydrophobicContact CD2-CG2 4.34Å; F80-V92 HydrophobicContact CE2-CG2 4.17Å
81	I	98	Very high	97	Very high	32 Å²	32	46.8 Å²	46.8	16%	0.164	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-25.2	-177.3	-60.3	177.1	0	0	0	111.2	W21 V47 V93	W21-I81 HydrophobicContact CZ2-CG2 4.35Å; V47-I81 HydrophobicContact CB-CD1 4.13Å; V47-I81 HydrophobicContact CG1-CD1 3.51Å; I81-V93 HydrophobicContact CB-CB 4.17Å; I81-V93 HydrophobicContact CB-CG1 3.99Å; I81-V93 HydrophobicContact CG2-CB 4.41Å; I81-V93 HydrophobicContact CG2-CG1 3.97Å; I81-V93 PolarHBondContact N-O 3.08Å
82	G	97.2	Very high	97	Very high	11 Å²	11	46.7 Å²	46.7	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.4	175.1	173.8	0	0	0	0	0	113	F80 V93	F80-G82 WeakPolarHBondContact CE2-O 3.37Å; F80-G82 VanDerWaalsContact CZ-C 3.47Å; G82-V93 PolarHBondContact N-O 2.76Å; G82-V93 PolarHBondContact O-N 3.25Å
83	C	97.9	Very high	97	Very high	18 Å²	18	43.4 Å²	43.4	12%	0.122	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	173.8	170.9	66	0	0	0	0	110.3	V65 F80 Y91 V92	V65-C83 HydrophobicContact CG1-CB 4.3Å; V65-C83 HydrophobicContact CG2-CB 3.84Å; F80-C83 HydrophobicContact CE2-CB 4.07Å; F80-C83 HydrophobicContact CZ-CB 4.14Å; C83-Y91 CarbonylContact C-O 3.5Å; C83-Y91 VanDerWaalsContact CA-O 3.28Å; C83-Y91 WeakPolarHBondContact CA-O 3.33Å; C83-Y91 WeakPolarHBondContact CB-O 3.49Å; C83-V92 HydrophobicContact CB-CB 4.47Å
84	G	96.4	Very high	97.1	Very high	5 Å²	5	39.8 Å²	39.8	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-179.4	168.8	0	0	0	0	0	113.5	Y91	G84-Y91 VanDerWaalsContact C-CE1 3.46Å; G84-Y91 VanDerWaalsContact CA-CE1 3.48Å; G84-Y91 PolarHBondContact N-O 2.94Å; G84-Y91 VanDerWaalsContact O-CD1 3.3Å; G84-Y91 WeakPolarHBondContact O-CD1 3.31Å; G84-Y91 PolarHBondContact O-N 3.06Å
85	R	95.9	Very high	97.1	Very high	70 Å²	70	38.3 Å²	38.3	26%	0.264	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.8	-175.3	167.7	170.5	-142.6	168.5	10.4	110.5	N90 W383 M386 D387	R85-N90 WeakPolarHBondContact CD-OD1 3.27Å; R85-N90 VanDerWaalsContact CG-OD1 3.26Å; R85-N90 WeakPolarHBondContact CG-OD1 3.41Å; R85-N90 PolarHBondContact NE-OD1 3.06Å; R85-W383 HydrophobicContact CB-CZ3 4.22Å; R85-M386 HydrophobicContact CB-CE 3.83Å; R85-M386 WeakPolarHBondContact O-CE 3.41Å; R85-D387 IonicContact NH1-OD1 2.72Å
86	N	93.8	Very high	97.2	Very high	49 Å²	49	36.1 Å²	36.1	26%	0.262	17%	0.166	S	C	.	.			trans	-138.5	176.5	166.1	64.2	80.5	0	0	0	109.2	A54 R88 F89	A54-N86 WeakPolarHBondContact CB-O 3.46Å; N86-R88 PolarHBondContact O-N 3.27Å; N86-R88 VanDerWaalsContact O-N 3.14Å; N86-R88 WeakPolarHBondContact OD1-CA 3.45Å; N86-R88 WeakPolarHBondContact OD1-CB 3.48Å; N86-R88 PolarHBondContact OD1-N 2.74Å; N86-F89 PolarHBondContact N-O 2.91Å; N86-F89 WeakPolarHBondContact ND2-CD1 3.4Å; N86-F89 VanDerWaalsContact ND2-CE1 3.29Å; N86-F89 WeakPolarHBondContact ND2-CE1 3.36Å; N86-F89 VanDerWaalsContact ND2-CE2 3.34Å; N86-F89 WeakPolarHBondContact ND2-CE2 3.28Å; N86-F89 WeakPolarHBondContact ND2-CZ 3.4Å; N86-F89 PolarHBondContact ND2-O 2.84Å; N86-F89 VanDerWaalsContact ND2-O 3.1Å; N86-F89 PolarHBondContact OD1-N 3.08Å
87	D	94	Very high	97.2	Very high	107 Å²	107	36.2 Å²	36.2	57%	0.572	17%	0.167	S	C	*	.	S	Bend	trans	-72.7	-4.7	-174.4	-55.8	-55.8	0	0	0	114.6	Q55 K390	Q55-D87 PolarHBondContact NE2-O 3.04Å; D87-K390 IonicContact OD1-NZ 2.59Å; D87-K390 PolarHBondContact OD1-NZ 3Å
88	R	94.3	Very high	97.1	Very high	191 Å²	191	37.3 Å²	37.3	72%	0.721	18%	0.18	S	C	*	.	S	Bend	trans	-104.9	-41.8	174.1	-58.3	-174.7	-64.6	-169.1	0.4	112.6	A54 N86	A54-R88 PolarHBondContact N-O 3.01Å; N86-R88 PolarHBondContact O-N 3.27Å; N86-R88 VanDerWaalsContact O-N 3.14Å; N86-R88 WeakPolarHBondContact OD1-CA 3.45Å; N86-R88 WeakPolarHBondContact OD1-CB 3.48Å; N86-R88 PolarHBondContact OD1-N 2.74Å
89	F	96.1	Very high	97.1	Very high	14 Å²	14	42.9 Å²	42.9	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.9	-177.5	63.7	-89.9	0	0	0	113.8	I10 L11 V17 V51 E52 N86 Y91	I10-F89 HydrophobicContact CG2-CB 3.84Å; I10-F89 HydrophobicContact CG2-CG 4.34Å; L11-F89 HydrophobicContact CD2-CD1 4.14Å; L11-F89 HydrophobicContact CD2-CE1 3.66Å; L11-F89 HydrophobicContact CD2-CE2 4.38Å; L11-F89 HydrophobicContact CD2-CZ 3.8Å; V17-F89 HydrophobicContact CG1-CE2 4.1Å; V17-F89 HydrophobicContact CG1-CZ 4.27Å; V17-F89 HydrophobicContact CG2-CE2 4.41Å; V17-F89 HydrophobicContact CG2-CZ 4.19Å; V51-F89 HydrophobicContact CB-CD2 4.38Å; V51-F89 HydrophobicContact CG1-CD2 4.18Å; E52-F89 CarbonylContact O-C 3.6Å; E52-F89 WeakPolarHBondContact O-CA 3.31Å; E52-F89 VanDerWaalsContact O-CB 3.24Å; E52-F89 WeakPolarHBondContact O-CB 3.45Å; N86-F89 PolarHBondContact N-O 2.91Å; N86-F89 WeakPolarHBondContact ND2-CD1 3.4Å; N86-F89 VanDerWaalsContact ND2-CE1 3.29Å; N86-F89 WeakPolarHBondContact ND2-CE1 3.36Å; N86-F89 VanDerWaalsContact ND2-CE2 3.34Å; N86-F89 WeakPolarHBondContact ND2-CE2 3.28Å; N86-F89 WeakPolarHBondContact ND2-CZ 3.4Å; N86-F89 PolarHBondContact ND2-O 2.84Å; N86-F89 VanDerWaalsContact ND2-O 3.1Å; N86-F89 PolarHBondContact OD1-N 3.08Å; F89-Y91 HydrophobicContact CD2-CD1 4.06Å; F89-Y91 AromaticContact CE2-CD1 3.7Å; F89-Y91 HydrophobicContact CE2-CD1 3.7Å; F89-Y91 HydrophobicContact CE2-CE1 4.49Å; F89-Y91 HydrophobicContact CE2-CG 4.21Å
90	N	96.9	Very high	97.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	152.9	161.5	-52.7	-26.9	0	0	0	108.5	V51 E52 Q59 L61 R85 W383	V51-N90 VanDerWaalsContact CA-O 3.27Å; V51-N90 WeakPolarHBondContact CA-O 3.36Å; E52-N90 HydrophobicContact CG-CB 4.04Å; E52-N90 PolarHBondContact N-O 2.88Å; E52-N90 VanDerWaalsContact N-O 3.08Å; E52-N90 PolarHBondContact O-N 3.12Å; E52-N90 PolarHBondContact OE1-ND2 3.01Å; Q59-N90 PolarHBondContact OE1-ND2 3.06Å; L61-N90 HydrophobicContact CB-CB 4.5Å; L61-N90 HydrophobicContact CD1-CB 4.23Å; R85-N90 WeakPolarHBondContact CD-OD1 3.27Å; R85-N90 VanDerWaalsContact CG-OD1 3.26Å; R85-N90 WeakPolarHBondContact CG-OD1 3.41Å; R85-N90 PolarHBondContact NE-OD1 3.06Å; N90-W383 HydrophobicContact CB-CH2 4.05Å
91	Y	97.7	Very high	97.1	Very high	14 Å²	14	37.6 Å²	37.6	6%	0.055	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.8	177.9	70.3	-85.1	0	0	0	114.2	V17 W21 L49 K50 C83 G84 F89 V93	V17-Y91 HydrophobicContact CG1-CD1 4.13Å; V17-Y91 HydrophobicContact CG1-CD2 4.13Å; V17-Y91 HydrophobicContact CG1-CE1 4Å; V17-Y91 HydrophobicContact CG1-CE2 4Å; V17-Y91 HydrophobicContact CG1-CG 4.2Å; W21-Y91 HydrophobicContact CE3-CE2 4.12Å; W21-Y91 AromaticContact CZ3-CE2 3.71Å; W21-Y91 HydrophobicContact CZ3-CE2 3.71Å; L49-Y91 HydrophobicContact CD1-CD2 3.93Å; L49-Y91 HydrophobicContact CD1-CG 4.34Å; K50-Y91 CarbonylContact O-C 3.49Å; K50-Y91 VanDerWaalsContact O-CA 3.25Å; K50-Y91 WeakPolarHBondContact O-CA 3.5Å; C83-Y91 CarbonylContact C-O 3.5Å; C83-Y91 VanDerWaalsContact CA-O 3.28Å; C83-Y91 WeakPolarHBondContact CA-O 3.33Å; C83-Y91 WeakPolarHBondContact CB-O 3.49Å; G84-Y91 VanDerWaalsContact C-CE1 3.46Å; G84-Y91 VanDerWaalsContact CA-CE1 3.48Å; G84-Y91 PolarHBondContact N-O 2.94Å; G84-Y91 VanDerWaalsContact O-CD1 3.3Å; G84-Y91 WeakPolarHBondContact O-CD1 3.31Å; G84-Y91 PolarHBondContact O-N 3.06Å; F89-Y91 HydrophobicContact CD2-CD1 4.06Å; F89-Y91 AromaticContact CE2-CD1 3.7Å; F89-Y91 HydrophobicContact CE2-CD1 3.7Å; F89-Y91 HydrophobicContact CE2-CE1 4.49Å; F89-Y91 HydrophobicContact CE2-CG 4.21Å; Y91-V93 HydrophobicContact CD2-CG2 3.93Å; Y91-V93 HydrophobicContact CE2-CG2 4.09Å
92	V	98.3	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143	168.7	60.3	0	0	0	0	109.9	L49 K50 L61 V65 L68 F80 C83	L49-V92 WeakPolarHBondContact CA-O 3.19Å; K50-V92 HydrophobicContact CB-CG1 3.82Å; K50-V92 PolarHBondContact N-O 2.85Å; K50-V92 PolarHBondContact O-N 3.04Å; L61-V92 HydrophobicContact CD2-CG1 4.09Å; V65-V92 HydrophobicContact CG2-CB 3.74Å; V65-V92 HydrophobicContact CG2-CG2 3.71Å; L68-V92 HydrophobicContact CD2-CG2 4.05Å; F80-V92 HydrophobicContact CD2-CG2 4.34Å; F80-V92 HydrophobicContact CE2-CG2 4.17Å; C83-V92 HydrophobicContact CB-CB 4.47Å
93	V	98.5	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.5	178.4	-164.2	0	0	0	0	108.6	W21 V47 A48 L49 I81 G82 Y91	W21-V93 HydrophobicContact CD2-CG1 4.34Å; W21-V93 HydrophobicContact CD2-CG2 3.8Å; W21-V93 HydrophobicContact CE3-CG2 3.9Å; W21-V93 HydrophobicContact CG-CG1 4.33Å; W21-V93 HydrophobicContact CG-CG2 4.35Å; W21-V93 HydrophobicContact CH2-CG2 4.15Å; W21-V93 HydrophobicContact CZ2-CB 4.43Å; W21-V93 HydrophobicContact CZ2-CG1 4.5Å; W21-V93 HydrophobicContact CZ2-CG2 4.08Å; W21-V93 HydrophobicContact CZ3-CG2 4.08Å; V47-V93 HydrophobicContact CB-CG1 3.97Å; V47-V93 HydrophobicContact CG2-CG1 3.62Å; A48-V93 WeakPolarHBondContact O-CA 3.45Å; L49-V93 HydrophobicContact CD1-CG2 3.88Å; I81-V93 HydrophobicContact CB-CB 4.17Å; I81-V93 HydrophobicContact CB-CG1 3.99Å; I81-V93 HydrophobicContact CG2-CB 4.41Å; I81-V93 HydrophobicContact CG2-CG1 3.97Å; I81-V93 PolarHBondContact N-O 3.08Å; G82-V93 PolarHBondContact N-O 2.76Å; G82-V93 PolarHBondContact O-N 3.25Å; Y91-V93 HydrophobicContact CD2-CG2 3.93Å; Y91-V93 HydrophobicContact CE2-CG2 4.09Å
94	M	98.5	Very high	97.1	Very high	13 Å²	13	38.3 Å²	38.3	6%	0.064	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	168.3	-177.7	59	-173.8	156.8	0	0	111.4	I35 A48 K50 L68 C78 R79 L96	I35-M94 HydrophobicContact CD1-CE 4.12Å; A48-M94 HydrophobicContact CB-CG 3.98Å; A48-M94 PolarHBondContact N-O 2.85Å; A48-M94 PolarHBondContact O-N 2.65Å; K50-M94 HydrophobicContact CB-CE 4.37Å; L68-M94 HydrophobicContact CD2-CB 4.12Å; L68-M94 HydrophobicContact CD2-SD 4.05Å; C78-M94 HydrophobicContact CB-CB 4.23Å; C78-M94 HydrophobicContact CB-CG 4.49Å; C78-M94 HydrophobicContact CB-SD 4.37Å; R79-M94 CarbonylContact O-C 3.52Å; R79-M94 VanDerWaalsContact O-CA 3.25Å; R79-M94 WeakPolarHBondContact O-CA 3.3Å; R79-M94 WeakPolarHBondContact O-CB 3.5Å; M94-L96 PolarHBondContact O-N 3.21Å
95	Q	98.3	Very high	97.2	Very high	36 Å²	36	38.8 Å²	38.8	17%	0.168	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	126.9	173.4	-177.1	-178.3	-1.1	0	0	111.6	C78 R79	C78-Q95 HydrophobicContact CB-CB 4.14Å; R79-Q95 HydrophobicContact CB-CB 4.15Å; R79-Q95 VanDerWaalsContact N-OE1 3.07Å; R79-Q95 PolarHBondContact O-N 3.44Å
96	L	98.3	Very high	97.3	Very high	20 Å²	20	42.6 Å²	42.6	11%	0.105	20%	0.198	C	C	.	.			trans	-84	118.6	174	173.9	60.2	0	0	0	110.3	I27 D37 N46 A48 M94 R151	I27-L96 HydrophobicContact CD1-CD1 3.63Å; D37-L96 HydrophobicContact CB-CD2 4.03Å; D37-L96 WeakPolarHBondContact OD1-CD2 3.33Å; N46-L96 HydrophobicContact CB-CD2 4.17Å; A48-L96 HydrophobicContact CB-CB 4.03Å; A48-L96 HydrophobicContact CB-CD1 4.12Å; M94-L96 PolarHBondContact O-N 3.21Å; L96-R151 VanDerWaalsContact O-CD 3.24Å; L96-R151 WeakPolarHBondContact O-CD 3.35Å; L96-R151 PolarHBondContact O-NE 3.23Å
97	Q	98.1	Very high	97.4	Very high	16 Å²	16	44 Å²	44	8%	0.075	21%	0.212	C	C	.	.			trans	-87.7	179.7	177.3	-53.1	-59	-0.8	0	0	112.6	C78 A148 Y160 L162	C78-Q97 VanDerWaalsContact SG-CG 3.58Å; C78-Q97 PolarHBondContact SG-NE2 3.02Å; Q97-A148 HydrophobicContact CB-CB 4.13Å; Q97-Y160 HydrophobicContact CG-CD2 4.2Å; Q97-Y160 HydrophobicContact CG-CG 4.1Å; Q97-Y160 VanDerWaalsContact NE2-CD1 3.3Å; Q97-L162 HydrophobicContact CG-CD2 4.29Å
98	G	97	Very high	97.5	Very high	37 Å²	37	40.6 Å²	40.6	38%	0.381	19%	0.193	S	C	.	.			trans	-87.7	-134.4	-179.2	0	0	0	0	0	113.5	M149	G98-M149 VanDerWaalsContact CA-O 3.25Å; G98-M149 WeakPolarHBondContact CA-O 3.42Å; G98-M149 PolarHBondContact N-O 3.37Å
99	R	97.3	Very high	97.4	Very high	121 Å²	121	37.4 Å²	37.4	46%	0.457	20%	0.199	S	C	.	.			trans	-81.4	138	-174.7	-62.8	179	61.1	-173.7	-2.4	111.1	D103 L104 S107 A148 M149	R99-D103 PolarHBondContact NH2-O 3.35Å; R99-L104 HydrophobicContact CB-CD1 4.05Å; R99-L104 HydrophobicContact CB-CD2 3.89Å; R99-L104 HydrophobicContact CB-CG 3.77Å; R99-L104 WeakPolarHBondContact O-CD1 3.43Å; R99-S107 PolarHBondContact NH2-OG 2.99Å; R99-A148 WeakPolarHBondContact O-CA 3.24Å; R99-M149 PolarHBondContact O-N 3.43Å
100	N	98.3	Very high	97.3	Very high	34 Å²	34	47 Å²	47	18%	0.182	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-75.6	152.5	174.1	68.7	78.4	0	0	0	112.2	A102 D103 L104 F147 A148	N100-A102 VanDerWaalsContact C-N 3.26Å; N100-A102 PolarHBondContact O-N 2.84Å; N100-A102 WeakPolarHBondContact OD1-CA 3.38Å; N100-A102 VanDerWaalsContact OD1-CB 3.26Å; N100-A102 WeakPolarHBondContact OD1-CB 3.35Å; N100-A102 PolarHBondContact OD1-N 2.86Å; N100-D103 PolarHBondContact ND2-OD2 2.77Å; N100-D103 PolarHBondContact O-N 2.92Å; N100-D103 VanDerWaalsContact O-N 3.15Å; N100-D103 PolarHBondContact OD1-N 2.87Å; N100-D103 PolarHBondContact OD1-OD2 3.36Å; N100-L104 WeakPolarHBondContact O-CG 3.48Å; N100-L104 PolarHBondContact O-N 3.37Å; N100-F147 CarbonylContact C-O 3.59Å; N100-F147 WeakPolarHBondContact CA-O 3.31Å; N100-F147 WeakPolarHBondContact CB-O 3.35Å; N100-A148 HydrophobicContact CB-CB 4.36Å
101	L	98.7	Very high	97.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-31.5	-176.6	-58.7	-175.5	0	0	0	112.7	L104 R105 L121 I125 P144 F147 M149 F219	L101-L104 HydrophobicContact CD2-CD1 4.11Å; L101-L104 PolarHBondContact O-N 3.33Å; L101-R105 VanDerWaalsContact O-CB 3.28Å; L101-R105 WeakPolarHBondContact O-CB 3.22Å; L101-R105 PolarHBondContact O-N 2.82Å; L101-L121 HydrophobicContact CD1-CD1 4.2Å; L101-L121 HydrophobicContact CD1-CD2 4.19Å; L101-L121 HydrophobicContact CD2-CD1 3.88Å; L101-L121 HydrophobicContact CD2-CD2 3.75Å; L101-L121 HydrophobicContact CD2-CG 4.48Å; L101-I125 HydrophobicContact CD1-CD1 3.85Å; L101-P144 CarbonylContact C-O 3.53Å; L101-P144 WeakPolarHBondContact CA-O 3.33Å; L101-P144 HydrophobicContact CB-CB 4.07Å; L101-P144 WeakPolarHBondContact CB-O 3.19Å; L101-P144 PolarHBondContact N-O 3.28Å; L101-P144 VanDerWaalsContact N-O 3.11Å; L101-F147 HydrophobicContact CD1-CB 3.61Å; L101-F147 HydrophobicContact CD1-CG 4.45Å; L101-F147 HydrophobicContact CG-CB 3.85Å; L101-F147 PolarHBondContact N-O 3.4Å; L101-M149 HydrophobicContact CD2-CG 4.31Å; L101-M149 HydrophobicContact CD2-SD 3.87Å; L101-F219 HydrophobicContact CB-CZ 4.03Å; L101-F219 HydrophobicContact CD1-CE2 4.06Å; L101-F219 HydrophobicContact CD1-CZ 3.82Å
102	A	97.9	Very high	97.3	Very high	8 Å²	8	49 Å²	49	7%	0.066	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-40.5	175.5	0	0	0	0	0	112.3	N100 R106 P144	N100-A102 VanDerWaalsContact C-N 3.26Å; N100-A102 PolarHBondContact O-N 2.84Å; N100-A102 WeakPolarHBondContact OD1-CA 3.38Å; N100-A102 VanDerWaalsContact OD1-CB 3.26Å; N100-A102 WeakPolarHBondContact OD1-CB 3.35Å; N100-A102 PolarHBondContact OD1-N 2.86Å; A102-R106 WeakPolarHBondContact O-CB 3.48Å; A102-R106 VanDerWaalsContact O-CG 3.28Å; A102-R106 WeakPolarHBondContact O-CG 3.27Å; A102-R106 VanDerWaalsContact O-CZ 3.25Å; A102-R106 PolarHBondContact O-N 3.31Å; A102-R106 PolarHBondContact O-NE 3.17Å; A102-R106 PolarHBondContact O-NH1 2.85Å; A102-P144 HydrophobicContact CB-CB 3.89Å; A102-P144 PolarHBondContact N-O 3.41Å
103	D	97.4	Very high	97.3	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	25%	0.254	S	S	.	.	H	α-helix	trans	-79.4	-35.8	174.8	-75.8	-44.2	0	0	0	113	R99 N100 R105 R106 S107	R99-D103 PolarHBondContact NH2-O 3.35Å; N100-D103 PolarHBondContact ND2-OD2 2.77Å; N100-D103 PolarHBondContact O-N 2.92Å; N100-D103 VanDerWaalsContact O-N 3.15Å; N100-D103 PolarHBondContact OD1-N 2.87Å; N100-D103 PolarHBondContact OD1-OD2 3.36Å; D103-R105 VanDerWaalsContact C-N 3.34Å; D103-R106 VanDerWaalsContact CG-NH2 3.26Å; D103-R106 PolarHBondContact O-N 2.87Å; D103-R106 IonicContact OD1-CZ 3.76Å; D103-R106 IonicContact OD1-NE 2.91Å; D103-R106 PolarHBondContact OD1-NE 3.15Å; D103-R106 IonicContact OD1-NH2 3.75Å; D103-R106 PolarHBondContact OD1-NH2 3.47Å; D103-R106 IonicContact OD2-NH2 2.72Å; D103-S107 PolarHBondContact O-N 3.37Å; D103-S107 PolarHBondContact O-OG 3.33Å
104	L	98.3	Very high	97.3	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-43.9	173.2	-73.4	165.6	0	0	0	111.2	R99 N100 L101 S107 Q108 F113 M149 W297	R99-L104 HydrophobicContact CB-CD1 4.05Å; R99-L104 HydrophobicContact CB-CD2 3.89Å; R99-L104 HydrophobicContact CB-CG 3.77Å; R99-L104 WeakPolarHBondContact O-CD1 3.43Å; N100-L104 WeakPolarHBondContact O-CG 3.48Å; N100-L104 PolarHBondContact O-N 3.37Å; L101-L104 HydrophobicContact CD2-CD1 4.11Å; L101-L104 PolarHBondContact O-N 3.33Å; L104-S107 PolarHBondContact O-N 3.27Å; L104-Q108 PolarHBondContact O-N 3.23Å; L104-F113 HydrophobicContact CB-CE1 4.29Å; L104-F113 HydrophobicContact CB-CZ 3.93Å; L104-M149 HydrophobicContact CD1-CG 3.64Å; L104-W297 HydrophobicContact CB-CE3 4.03Å; L104-W297 HydrophobicContact CB-CZ3 4.36Å; L104-W297 HydrophobicContact CD1-CD2 4.18Å; L104-W297 HydrophobicContact CD1-CE3 4.13Å; L104-W297 HydrophobicContact CD1-CH2 4.32Å; L104-W297 HydrophobicContact CD1-CZ2 4.37Å; L104-W297 HydrophobicContact CD1-CZ3 4.2Å; L104-W297 HydrophobicContact CD2-CB 3.92Å; L104-W297 HydrophobicContact CD2-CD2 3.78Å; L104-W297 HydrophobicContact CD2-CE3 4.04Å; L104-W297 HydrophobicContact CD2-CG 3.72Å; L104-W297 HydrophobicContact CG-CD2 4.42Å; L104-W297 HydrophobicContact CG-CE3 4.3Å
105	R	98.2	Very high	97.3	Very high	15 Å²	15	53.2 Å²	53.2	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-40.6	175	-168.8	179.5	71.3	80.2	-12.6	112.2	L101 D103 S107 Q108 G111 F113 E218 G222	L101-R105 VanDerWaalsContact O-CB 3.28Å; L101-R105 WeakPolarHBondContact O-CB 3.22Å; L101-R105 PolarHBondContact O-N 2.82Å; D103-R105 VanDerWaalsContact C-N 3.34Å; R105-S107 PolarHBondContact O-N 3.06Å; R105-Q108 WeakPolarHBondContact O-CB 3.44Å; R105-Q108 PolarHBondContact O-N 3.26Å; R105-Q108 VanDerWaalsContact O-N 3.14Å; R105-G111 VanDerWaalsContact CG-O 3.26Å; R105-G111 WeakPolarHBondContact CG-O 3.2Å; R105-G111 PolarHBondContact NH1-O 3.39Å; R105-G111 WeakPolarHBondContact O-CA 3.45Å; R105-F113 HydrophobicContact CB-CD2 4.45Å; R105-F113 HydrophobicContact CB-CE1 4.12Å; R105-F113 HydrophobicContact CB-CE2 3.81Å; R105-F113 HydrophobicContact CB-CZ 3.63Å; R105-F113 HydrophobicContact CG-CD2 4.42Å; R105-F113 HydrophobicContact CG-CE2 4.27Å; R105-F113 HydrophobicContact CG-CZ 4.37Å; R105-E218 WeakPolarHBondContact CD-O 3.47Å; R105-E218 IonicContact CZ-OE2 3.55Å; R105-E218 PolarHBondContact NE-O 3.01Å; R105-E218 IonicContact NE-OE2 2.71Å; R105-E218 IonicContact NH2-OE1 3.35Å; R105-E218 PolarHBondContact NH2-OE1 2.84Å; R105-E218 IonicContact NH2-OE2 2.66Å; R105-E218 PolarHBondContact NH2-OE2 2.77Å; R105-G222 PolarHBondContact NH1-O 2.98Å; R105-G222 PolarHBondContact NH2-O 3.06Å
106	R	97.3	Very high	97.3	Very high	150 Å²	150	52.2 Å²	52.2	57%	0.566	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-26.8	176.3	-82.9	-174.2	-70.7	-92.4	12.8	113.5	A102 D103	A102-R106 WeakPolarHBondContact O-CB 3.48Å; A102-R106 VanDerWaalsContact O-CG 3.28Å; A102-R106 WeakPolarHBondContact O-CG 3.27Å; A102-R106 VanDerWaalsContact O-CZ 3.25Å; A102-R106 PolarHBondContact O-N 3.31Å; A102-R106 PolarHBondContact O-NE 3.17Å; A102-R106 PolarHBondContact O-NH1 2.85Å; D103-R106 VanDerWaalsContact CG-NH2 3.26Å; D103-R106 PolarHBondContact O-N 2.87Å; D103-R106 IonicContact OD1-CZ 3.76Å; D103-R106 IonicContact OD1-NE 2.91Å; D103-R106 PolarHBondContact OD1-NE 3.15Å; D103-R106 IonicContact OD1-NH2 3.75Å; D103-R106 PolarHBondContact OD1-NH2 3.47Å; D103-R106 IonicContact OD2-NH2 2.72Å
107	S	96.9	Very high	97.3	Very high	78 Å²	78	51.2 Å²	51.2	55%	0.545	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.2	174	-70	0	0	0	0	114.4	R99 D103 L104 R105	R99-S107 PolarHBondContact NH2-OG 2.99Å; D103-S107 PolarHBondContact O-N 3.37Å; D103-S107 PolarHBondContact O-OG 3.33Å; L104-S107 PolarHBondContact O-N 3.27Å; R105-S107 PolarHBondContact O-N 3.06Å
108	Q	96.3	Very high	97.3	Very high	37 Å²	37	50.7 Å²	50.7	17%	0.173	27%	0.266	C	S	.	.	S	Bend	trans	-69.3	138.2	174.7	-63.4	-58	-36.2	0	0	110.2	L104 R105 R110 G111 T112 F113 D296	L104-Q108 PolarHBondContact O-N 3.23Å; R105-Q108 WeakPolarHBondContact O-CB 3.44Å; R105-Q108 PolarHBondContact O-N 3.26Å; R105-Q108 VanDerWaalsContact O-N 3.14Å; Q108-R110 PolarHBondContact O-N 3.06Å; Q108-R110 VanDerWaalsContact O-N 3.11Å; Q108-G111 PolarHBondContact O-N 2.77Å; Q108-T112 WeakPolarHBondContact CB-O 3.47Å; Q108-T112 WeakPolarHBondContact CG-O 3.4Å; Q108-F113 HydrophobicContact CG-CD1 3.84Å; Q108-F113 HydrophobicContact CG-CE1 3.9Å; Q108-D296 PolarHBondContact NE2-O 3.49Å; Q108-D296 VanDerWaalsContact NE2-O 3.14Å
109	S	92.1	Very high	97.4	Very high	123 Å²	123	49.1 Å²	49.1	86%	0.86	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.5	-173	58.9	0	0	0	0	114.3
110	R	93.9	Very high	97.5	Very high	216 Å²	216	43.9 Å²	43.9	82%	0.815	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.9	174.7	-64.5	-175.1	178.4	-151	-1.1	113.8	Q108 T112	Q108-R110 PolarHBondContact O-N 3.06Å; Q108-R110 VanDerWaalsContact O-N 3.11Å; R110-T112 HydrophobicContact CB-CG2 4.46Å; R110-T112 WeakPolarHBondContact CB-OG1 3.36Å; R110-T112 PolarHBondContact O-N 2.9Å
111	G	95.9	Very high	97.5	Very high	17 Å²	17	42.3 Å²	42.3	18%	0.175	22%	0.221	C	C	.	.	S	Bend	trans	68.1	19.1	-168.9	0	0	0	0	0	113.8	R105 Q108 G222	R105-G111 VanDerWaalsContact CG-O 3.26Å; R105-G111 WeakPolarHBondContact CG-O 3.2Å; R105-G111 PolarHBondContact NH1-O 3.39Å; R105-G111 WeakPolarHBondContact O-CA 3.45Å; Q108-G111 PolarHBondContact O-N 2.77Å; G111-G222 WeakPolarHBondContact O-CA 3.45Å
112	T	98.1	Very high	97.5	Very high	40 Å²	40	42.3 Å²	42.3	25%	0.245	22%	0.221	C	C	.	.			trans	-123.3	148	-176.9	55.7	0	0	0	0	110.3	Q108 R110 F219 V220	Q108-T112 WeakPolarHBondContact CB-O 3.47Å; Q108-T112 WeakPolarHBondContact CG-O 3.4Å; R110-T112 HydrophobicContact CB-CG2 4.46Å; R110-T112 WeakPolarHBondContact CB-OG1 3.36Å; R110-T112 PolarHBondContact O-N 2.9Å; T112-F219 CarbonylContact C-O 3.45Å; T112-F219 WeakPolarHBondContact CA-O 3.28Å; T112-V220 VanDerWaalsContact CG2-O 3.24Å; T112-V220 WeakPolarHBondContact CG2-O 3.42Å
113	F	98.6	Very high	97.6	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.026	23%	0.227	C	C	.	.			trans	-90.9	160.2	162.3	-67.3	-43.7	0	0	0	110.5	L104 R105 Q108 T117 T118 L121 F219 D296 W297	L104-F113 HydrophobicContact CB-CE1 4.29Å; L104-F113 HydrophobicContact CB-CZ 3.93Å; R105-F113 HydrophobicContact CB-CD2 4.45Å; R105-F113 HydrophobicContact CB-CE1 4.12Å; R105-F113 HydrophobicContact CB-CE2 3.81Å; R105-F113 HydrophobicContact CB-CZ 3.63Å; R105-F113 HydrophobicContact CG-CD2 4.42Å; R105-F113 HydrophobicContact CG-CE2 4.27Å; R105-F113 HydrophobicContact CG-CZ 4.37Å; Q108-F113 HydrophobicContact CG-CD1 3.84Å; Q108-F113 HydrophobicContact CG-CE1 3.9Å; F113-T117 HydrophobicContact CB-CG2 3.76Å; F113-T117 HydrophobicContact CD1-CG2 3.81Å; F113-T117 HydrophobicContact CD2-CG2 4.04Å; F113-T117 HydrophobicContact CE1-CG2 4.39Å; F113-T117 HydrophobicContact CG-CG2 3.62Å; F113-T118 WeakPolarHBondContact CB-OG1 3.42Å; F113-L121 HydrophobicContact CD2-CD1 4.14Å; F113-L121 HydrophobicContact CE2-CD1 3.91Å; F113-F219 HydrophobicContact CD2-CB 3.95Å; F113-F219 HydrophobicContact CD2-CD1 4.14Å; F113-F219 AromaticContact CD2-CD2 3.88Å; F113-F219 HydrophobicContact CD2-CD2 3.88Å; F113-F219 HydrophobicContact CD2-CE2 4.4Å; F113-F219 AromaticContact CD2-CG 3.73Å; F113-F219 HydrophobicContact CD2-CG 3.73Å; F113-F219 HydrophobicContact CE2-CD1 4.22Å; F113-F219 HydrophobicContact CE2-CD2 4.23Å; F113-F219 HydrophobicContact CE2-CE1 4.28Å; F113-F219 HydrophobicContact CE2-CE2 4.31Å; F113-F219 HydrophobicContact CE2-CG 4.19Å; F113-F219 HydrophobicContact CE2-CZ 4.32Å; F113-F219 PolarHBondContact N-O 2.97Å; F113-D296 WeakPolarHBondContact CA-OD2 3.35Å; F113-D296 HydrophobicContact CD1-CB 4.43Å; F113-W297 HydrophobicContact CD1-CZ3 4.39Å; F113-W297 AromaticContact CE1-CE3 3.86Å; F113-W297 HydrophobicContact CE1-CE3 3.86Å; F113-W297 AromaticContact CE1-CZ3 3.71Å; F113-W297 HydrophobicContact CE1-CZ3 3.71Å; F113-W297 HydrophobicContact CZ-CE3 4.31Å; F113-W297 AromaticContact CZ-CZ3 3.84Å; F113-W297 HydrophobicContact CZ-CZ3 3.84Å
114	T	98	Very high	97.6	Very high	59 Å²	59	43 Å²	43	36%	0.362	22%	0.218	S	C	.	.			trans	-73.5	165.8	168.6	58.4	0	0	0	0	111.2	S116 T117 T118 D296	T114-S116 VanDerWaalsContact C-N 3.35Å; T114-T117 PolarHBondContact O-N 2.94Å; T114-T117 PolarHBondContact OG1-N 2.87Å; T114-T117 PolarHBondContact OG1-OG1 2.78Å; T114-T118 WeakPolarHBondContact O-CB 3.41Å; T114-T118 PolarHBondContact O-N 3.3Å; T114-T118 PolarHBondContact O-OG1 3.34Å; T114-D296 WeakPolarHBondContact CG2-OD1 3.49Å; T114-D296 PolarHBondContact N-OD2 2.88Å; T114-D296 VanDerWaalsContact OG1-CG 3.29Å; T114-D296 PolarHBondContact OG1-OD1 3.35Å; T114-D296 PolarHBondContact OG1-OD2 3.46Å
115	I	98.1	Very high	97.7	Very high	37 Å²	37	42.8 Å²	42.8	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-45.1	173.3	-59.1	-59.6	0	0	0	110.7	T117 T118 L119 V220 P252 F287	I115-T117 PolarHBondContact O-N 2.98Å; I115-T118 PolarHBondContact O-N 3.23Å; I115-T118 VanDerWaalsContact O-N 3.11Å; I115-L119 HydrophobicContact CG2-CD1 3.54Å; I115-L119 HydrophobicContact CG2-CG 3.93Å; I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 3.06Å; I115-V220 HydrophobicContact CD1-CB 4.49Å; I115-V220 HydrophobicContact CD1-CG1 3.73Å; I115-V220 HydrophobicContact CD1-CG2 3.85Å; I115-P252 HydrophobicContact CG2-CG 4.16Å; I115-F287 HydrophobicContact CB-CD1 4.41Å; I115-F287 HydrophobicContact CG1-CE1 4.37Å; I115-F287 HydrophobicContact CG2-CD1 3.89Å; I115-F287 HydrophobicContact CG2-CE1 4.17Å; I115-F287 HydrophobicContact CG2-CG 4.12Å
116	S	98.4	Very high	97.7	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-53.6	-49.9	176.2	168.9	0	0	0	0	112.7	T114 R120 D293	T114-S116 VanDerWaalsContact C-N 3.35Å; S116-R120 WeakPolarHBondContact O-CG 3.16Å; S116-R120 PolarHBondContact O-N 3.21Å; S116-R120 PolarHBondContact O-NE 2.63Å; S116-R120 PolarHBondContact OG-NE 2.74Å; S116-R120 PolarHBondContact OG-NH2 3.38Å; S116-D293 PolarHBondContact OG-OD2 3.48Å
117	T	98.7	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-44.4	175.1	-65	0	0	0	0	111.8	F113 T114 I115 L121 F295 D296 W297	F113-T117 HydrophobicContact CB-CG2 3.76Å; F113-T117 HydrophobicContact CD1-CG2 3.81Å; F113-T117 HydrophobicContact CD2-CG2 4.04Å; F113-T117 HydrophobicContact CE1-CG2 4.39Å; F113-T117 HydrophobicContact CG-CG2 3.62Å; T114-T117 PolarHBondContact O-N 2.94Å; T114-T117 PolarHBondContact OG1-N 2.87Å; T114-T117 PolarHBondContact OG1-OG1 2.78Å; I115-T117 PolarHBondContact O-N 2.98Å; T117-L121 HydrophobicContact CG2-CD1 3.66Å; T117-L121 HydrophobicContact CG2-CG 4.28Å; T117-L121 VanDerWaalsContact O-CB 3.31Å; T117-L121 WeakPolarHBondContact O-CB 3.45Å; T117-L121 VanDerWaalsContact O-CG 3.28Å; T117-L121 WeakPolarHBondContact O-CG 3.41Å; T117-L121 PolarHBondContact O-N 2.92Å; T117-F295 HydrophobicContact CG2-CD1 3.92Å; T117-D296 WeakPolarHBondContact CB-OD2 3.37Å; T117-D296 PolarHBondContact OG1-N 3.28Å; T117-D296 PolarHBondContact OG1-OD1 3.02Å; T117-D296 PolarHBondContact OG1-OD2 2.98Å; T117-W297 HydrophobicContact CG2-CH2 4.24Å; T117-W297 HydrophobicContact CG2-CZ3 3.84Å
118	T	98.8	Very high	97.9	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-40.2	-173.4	-57.6	0	0	0	0	112.4	F113 T114 I115 G122 L216 F219 V220	F113-T118 WeakPolarHBondContact CB-OG1 3.42Å; T114-T118 WeakPolarHBondContact O-CB 3.41Å; T114-T118 PolarHBondContact O-N 3.3Å; T114-T118 PolarHBondContact O-OG1 3.34Å; I115-T118 PolarHBondContact O-N 3.23Å; I115-T118 VanDerWaalsContact O-N 3.11Å; T118-G122 PolarHBondContact O-N 3.4Å; T118-L216 HydrophobicContact CG2-CB 4.29Å; T118-L216 HydrophobicContact CG2-CD2 3.75Å; T118-F219 HydrophobicContact CG2-CB 3.81Å; T118-F219 HydrophobicContact CG2-CD2 4.21Å; T118-V220 HydrophobicContact CG2-CG2 3.77Å
119	L	98.8	Very high	98	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-47.1	177.9	-67	175.8	0	0	0	111.8	I115 L121 G122 R123 P252 F255 F280 I284	I115-L119 HydrophobicContact CG2-CD1 3.54Å; I115-L119 HydrophobicContact CG2-CG 3.93Å; I115-L119 WeakPolarHBondContact O-CG 3.26Å; I115-L119 PolarHBondContact O-N 3.06Å; L119-L121 PolarHBondContact O-N 2.9Å; L119-G122 PolarHBondContact O-N 2.95Å; L119-G122 VanDerWaalsContact O-N 3.1Å; L119-R123 PolarHBondContact O-N 3.03Å; L119-P252 HydrophobicContact CD1-CG 4.4Å; L119-P252 HydrophobicContact CD2-CG 4.24Å; L119-F255 HydrophobicContact CD2-CE2 3.62Å; L119-F255 HydrophobicContact CD2-CZ 3.75Å; L119-F280 HydrophobicContact CD2-CD1 3.89Å; L119-F280 HydrophobicContact CD2-CE1 4.41Å; L119-I284 HydrophobicContact CB-CD1 4.18Å; L119-I284 HydrophobicContact CB-CG1 3.75Å; L119-I284 HydrophobicContact CD1-CG1 3.99Å; L119-I284 HydrophobicContact CG-CG1 4.48Å
120	R	98.7	Very high	98.3	Very high	12 Å²	12	28.9 Å²	28.9	5%	0.045	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-37.7	179.5	-68.7	-179.7	-66	139.7	-8.7	112.5	S116 Q124 I284 V289 D293 P294 F295	S116-R120 WeakPolarHBondContact O-CG 3.16Å; S116-R120 PolarHBondContact O-N 3.21Å; S116-R120 PolarHBondContact O-NE 2.63Å; S116-R120 PolarHBondContact OG-NE 2.74Å; S116-R120 PolarHBondContact OG-NH2 3.38Å; R120-Q124 WeakPolarHBondContact O-CG 3.39Å; R120-Q124 PolarHBondContact O-N 2.82Å; R120-I284 HydrophobicContact CG-CD1 4.39Å; R120-V289 HydrophobicContact CG-CG1 4.03Å; R120-D293 PolarHBondContact NH1-O 2.66Å; R120-D293 VanDerWaalsContact NH2-CB 3.3Å; R120-D293 PolarHBondContact NH2-O 3.31Å; R120-P294 PolarHBondContact NH2-O 3.35Å; R120-F295 HydrophobicContact CB-CE1 4.02Å; R120-F295 HydrophobicContact CB-CZ 4.35Å
121	L	98.9	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.2	-42.5	168.8	-73.7	176.2	0	0	0	111.8	L101 F113 T117 L119 R123 Q124 I125 M149 C159 F219 F295 W297	L101-L121 HydrophobicContact CD1-CD1 4.2Å; L101-L121 HydrophobicContact CD1-CD2 4.19Å; L101-L121 HydrophobicContact CD2-CD1 3.88Å; L101-L121 HydrophobicContact CD2-CD2 3.75Å; L101-L121 HydrophobicContact CD2-CG 4.48Å; F113-L121 HydrophobicContact CD2-CD1 4.14Å; F113-L121 HydrophobicContact CE2-CD1 3.91Å; T117-L121 HydrophobicContact CG2-CD1 3.66Å; T117-L121 HydrophobicContact CG2-CG 4.28Å; T117-L121 VanDerWaalsContact O-CB 3.31Å; T117-L121 WeakPolarHBondContact O-CB 3.45Å; T117-L121 VanDerWaalsContact O-CG 3.28Å; T117-L121 WeakPolarHBondContact O-CG 3.41Å; T117-L121 PolarHBondContact O-N 2.92Å; L119-L121 PolarHBondContact O-N 2.9Å; L121-R123 PolarHBondContact O-N 3.24Å; L121-Q124 PolarHBondContact O-N 2.83Å; L121-I125 HydrophobicContact CB-CD1 4.44Å; L121-I125 WeakPolarHBondContact O-CB 3.45Å; L121-I125 WeakPolarHBondContact O-CD1 3.39Å; L121-I125 WeakPolarHBondContact O-CG1 3.23Å; L121-I125 PolarHBondContact O-N 2.83Å; L121-M149 HydrophobicContact CD2-CE 4.48Å; L121-M149 HydrophobicContact CD2-SD 3.77Å; L121-C159 HydrophobicContact CD2-CB 4.27Å; L121-F219 HydrophobicContact CD1-CE2 4.19Å; L121-F295 HydrophobicContact CD2-CE1 4.38Å; L121-F295 HydrophobicContact CG-CE1 4.19Å; L121-W297 HydrophobicContact CD1-CH2 4.08Å; L121-W297 HydrophobicContact CD1-CZ3 4.26Å; L121-W297 HydrophobicContact CD2-CH2 4.23Å; L121-W297 HydrophobicContact CG-CH2 4.45Å
122	G	98.8	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-41.9	-178.3	0	0	0	0	0	113.5	T118 L119 I125 L126	T118-G122 PolarHBondContact O-N 3.4Å; L119-G122 PolarHBondContact O-N 2.95Å; L119-G122 VanDerWaalsContact O-N 3.1Å; G122-I125 PolarHBondContact O-N 3.43Å; G122-L126 WeakPolarHBondContact O-CB 2.92Å; G122-L126 PolarHBondContact O-N 2.93Å
123	R	98.8	Very high	98.7	Very high	54 Å²	54	17.4 Å²	17.4	20%	0.204	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-50.7	173.3	176.1	166.8	141.7	-140.8	-22.2	112	L119 L121 I125 L126 E127 F280 D281 E291	L119-R123 PolarHBondContact O-N 3.03Å; L121-R123 PolarHBondContact O-N 3.24Å; R123-I125 VanDerWaalsContact C-N 3.26Å; R123-I125 PolarHBondContact O-N 2.91Å; R123-L126 WeakPolarHBondContact O-CA 2.89Å; R123-L126 WeakPolarHBondContact O-CB 3.32Å; R123-L126 PolarHBondContact O-N 2.83Å; R123-E127 HydrophobicContact CG-CG 4.29Å; R123-E127 VanDerWaalsContact CG-OE1 3.23Å; R123-E127 WeakPolarHBondContact CG-OE1 3.19Å; R123-E127 IonicContact CZ-OE1 3.67Å; R123-E127 IonicContact NE-OE1 2.79Å; R123-E127 PolarHBondContact NE-OE1 3.32Å; R123-E127 IonicContact NH2-OE1 2.76Å; R123-E127 WeakPolarHBondContact O-CG 3.13Å; R123-E127 PolarHBondContact O-N 2.83Å; R123-F280 HydrophobicContact CB-CB 4.08Å; R123-F280 HydrophobicContact CB-CD2 4.37Å; R123-F280 HydrophobicContact CB-CG 4.13Å; R123-D281 VanDerWaalsContact CD-OD1 3.26Å; R123-D281 WeakPolarHBondContact CD-OD1 3.41Å; R123-D281 IonicContact CZ-OD1 2.81Å; R123-D281 IonicContact NE-OD1 2.85Å; R123-D281 IonicContact NH1-OD1 3.89Å; R123-D281 PolarHBondContact NH1-OD1 3.21Å; R123-E291 IonicContact CZ-OE1 3.59Å; R123-E291 VanDerWaalsContact CZ-OE1 3.22Å; R123-E291 IonicContact NH1-OE1 3.85Å; R123-E291 PolarHBondContact NH1-OE1 3.44Å; R123-E291 IonicContact NH2-OE1 2.64Å; R123-E291 PolarHBondContact NH2-OE1 2.81Å
124	Q	98.8	Very high	98.7	Very high	33 Å²	33	20.8 Å²	20.8	15%	0.154	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-35.3	176.1	-68.7	-173.6	30.5	0	0	113	R120 L121 E127 S128 R157 C159	R120-Q124 WeakPolarHBondContact O-CG 3.39Å; R120-Q124 PolarHBondContact O-N 2.82Å; L121-Q124 PolarHBondContact O-N 2.83Å; Q124-E127 VanDerWaalsContact CA-OE2 3.29Å; Q124-E127 WeakPolarHBondContact CA-OE2 3.38Å; Q124-S128 WeakPolarHBondContact O-CB 3.17Å; Q124-S128 PolarHBondContact O-N 2.68Å; Q124-R157 PolarHBondContact NE2-O 2.18Å; Q124-C159 HydrophobicContact CB-CB 4.3Å
125	I	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.7	-41.3	174.2	-64.9	160.1	0	0	0	110.7	L101 L121 G122 R123 S128 I129 F147 L212 M215 F219	L101-I125 HydrophobicContact CD1-CD1 3.85Å; L121-I125 HydrophobicContact CB-CD1 4.44Å; L121-I125 WeakPolarHBondContact O-CB 3.45Å; L121-I125 WeakPolarHBondContact O-CD1 3.39Å; L121-I125 WeakPolarHBondContact O-CG1 3.23Å; L121-I125 PolarHBondContact O-N 2.83Å; G122-I125 PolarHBondContact O-N 3.43Å; R123-I125 VanDerWaalsContact C-N 3.26Å; R123-I125 PolarHBondContact O-N 2.91Å; I125-S128 WeakPolarHBondContact CA-OG 3.3Å; I125-S128 PolarHBondContact O-N 3.45Å; I125-S128 PolarHBondContact O-OG 3.11Å; I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.33Å; I125-I129 VanDerWaalsContact O-CG1 3.29Å; I125-I129 WeakPolarHBondContact O-CG1 3.39Å; I125-I129 PolarHBondContact O-N 3.45Å; I125-F147 HydrophobicContact CB-CE1 4.36Å; I125-F147 HydrophobicContact CD1-CG 4.49Å; I125-F147 HydrophobicContact CG1-CD1 3.89Å; I125-F147 HydrophobicContact CG1-CE1 3.99Å; I125-F147 HydrophobicContact CG1-CG 4.18Å; I125-F147 HydrophobicContact CG1-CZ 4.38Å; I125-F147 HydrophobicContact CG2-CE1 3.91Å; I125-F147 HydrophobicContact CG2-CE2 4.01Å; I125-F147 HydrophobicContact CG2-CZ 3.59Å; I125-L212 HydrophobicContact CB-CD1 4.09Å; I125-L212 HydrophobicContact CG2-CD1 3.73Å; I125-L212 HydrophobicContact CG2-CD2 4.44Å; I125-M215 HydrophobicContact CD1-CE 3.81Å; I125-F219 HydrophobicContact CD1-CE2 4.43Å
126	L	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-46.5	175	-178.8	64.9	0	0	0	111.7	G122 R123 S128 I129 E130 L209 L212 Y273 L276 T277 F280	G122-L126 WeakPolarHBondContact O-CB 2.92Å; G122-L126 PolarHBondContact O-N 2.93Å; R123-L126 WeakPolarHBondContact O-CA 2.89Å; R123-L126 WeakPolarHBondContact O-CB 3.32Å; R123-L126 PolarHBondContact O-N 2.83Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 3.45Å; L126-I129 PolarHBondContact O-N 3.26Å; L126-E130 PolarHBondContact O-N 2.86Å; L126-L209 HydrophobicContact CD1-CD2 3.56Å; L126-L212 HydrophobicContact CB-CD2 4.13Å; L126-L212 HydrophobicContact CD1-CD2 4.28Å; L126-Y273 HydrophobicContact CD1-CD1 4.12Å; L126-L276 HydrophobicContact CD1-CB 4.25Å; L126-L276 HydrophobicContact CD1-CD1 4.26Å; L126-L276 HydrophobicContact CD2-CB 3.63Å; L126-T277 WeakPolarHBondContact CD2-OG1 3.26Å; L126-F280 HydrophobicContact CB-CE2 4.1Å; L126-F280 HydrophobicContact CD2-CD2 3.95Å; L126-F280 HydrophobicContact CD2-CE2 3.86Å
127	E	98.9	Very high	98.7	Very high	57 Å²	57	17.5 Å²	17.5	27%	0.266	9%	0.094	S	C	.	.	H	α-helix	trans	-56.3	-41	175.2	-70.2	162	167.3	0	0	111	H76 R123 Q124 S131	H76-E127 IonicContact NE2-OE2 2.9Å; R123-E127 HydrophobicContact CG-CG 4.29Å; R123-E127 VanDerWaalsContact CG-OE1 3.23Å; R123-E127 WeakPolarHBondContact CG-OE1 3.19Å; R123-E127 IonicContact CZ-OE1 3.67Å; R123-E127 IonicContact NE-OE1 2.79Å; R123-E127 PolarHBondContact NE-OE1 3.32Å; R123-E127 IonicContact NH2-OE1 2.76Å; R123-E127 WeakPolarHBondContact O-CG 3.13Å; R123-E127 PolarHBondContact O-N 2.83Å; Q124-E127 VanDerWaalsContact CA-OE2 3.29Å; Q124-E127 WeakPolarHBondContact CA-OE2 3.38Å; E127-S131 VanDerWaalsContact O-CB 3.27Å; E127-S131 WeakPolarHBondContact O-CB 3.35Å; E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 PolarHBondContact O-OG 3.26Å
128	S	98.8	Very high	98.7	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.028	9%	0.094	C	C	.	.	H	α-helix	trans	-70.5	-32.2	174.3	80.2	0	0	0	0	114	Q124 I125 L126 S131 I132 F147 M161	Q124-S128 WeakPolarHBondContact O-CB 3.17Å; Q124-S128 PolarHBondContact O-N 2.68Å; I125-S128 WeakPolarHBondContact CA-OG 3.3Å; I125-S128 PolarHBondContact O-N 3.45Å; I125-S128 PolarHBondContact O-OG 3.11Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 3.45Å; S128-S131 WeakPolarHBondContact O-CB 3.16Å; S128-S131 PolarHBondContact O-N 3.48Å; S128-I132 PolarHBondContact O-N 3.02Å; S128-I132 VanDerWaalsContact O-N 3.16Å; S128-F147 WeakPolarHBondContact OG-CE1 3.44Å; S128-M161 VanDerWaalsContact O-CE 3.28Å; S128-M161 WeakPolarHBondContact O-CE 3.45Å; S128-M161 VanDerWaalsContact OG-CE 3.32Å; S128-M161 WeakPolarHBondContact OG-CE 3.29Å
129	I	98.9	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-73.9	-44	177.6	-72.4	171.3	0	0	0	110.6	I125 L126 S131 I132 H133 I142 M161 D208 L209 L212	I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.33Å; I125-I129 VanDerWaalsContact O-CG1 3.29Å; I125-I129 WeakPolarHBondContact O-CG1 3.39Å; I125-I129 PolarHBondContact O-N 3.45Å; L126-I129 PolarHBondContact O-N 3.26Å; I129-S131 PolarHBondContact O-N 3.04Å; I129-I132 WeakPolarHBondContact O-CG2 3.48Å; I129-I132 PolarHBondContact O-N 3.22Å; I129-H133 WeakPolarHBondContact CG2-CE1 3.37Å; I129-H133 WeakPolarHBondContact O-CB 3.46Å; I129-H133 VanDerWaalsContact O-CG 3.24Å; I129-H133 PolarHBondContact O-N 2.92Å; I129-I142 HydrophobicContact CD1-CD1 3.92Å; I129-I142 HydrophobicContact CD1-CG1 4.24Å; I129-I142 HydrophobicContact CD1-CG2 4.22Å; I129-I142 HydrophobicContact CG1-CD1 3.79Å; I129-I142 HydrophobicContact CG1-CG1 4.49Å; I129-M161 HydrophobicContact CG1-CE 3.94Å; I129-D208 HydrophobicContact CG2-CB 4.32Å; I129-L209 HydrophobicContact CG2-CD2 3.9Å; I129-L209 HydrophobicContact CG2-CG 4.46Å; I129-L212 HydrophobicContact CD1-CB 4.05Å; I129-L212 HydrophobicContact CD1-CD2 4.15Å
130	E	98.8	Very high	98.7	Very high	50 Å²	50	18.5 Å²	18.5	23%	0.234	10%	0.097	C	C	.	.	H	α-helix	trans	-60.8	-36.1	170.1	-175.1	163.2	-151.6	0	0	110.7	L126 I132 H133 S134 Y273	L126-E130 PolarHBondContact O-N 2.86Å; E130-I132 PolarHBondContact O-N 3.41Å; E130-H133 PolarHBondContact O-N 3.07Å; E130-S134 VanDerWaalsContact O-CB 3.25Å; E130-S134 WeakPolarHBondContact O-CB 3.11Å; E130-S134 PolarHBondContact O-N 2.88Å; E130-S134 PolarHBondContact O-OG 3.46Å; E130-Y273 HydrophobicContact CB-CD1 3.74Å; E130-Y273 HydrophobicContact CB-CE1 4.08Å; E130-Y273 HydrophobicContact CB-CG 4.02Å; E130-Y273 VanDerWaalsContact CD-CB 3.49Å; E130-Y273 HydrophobicContact CG-CD1 4.12Å; E130-Y273 HydrophobicContact CG-CD2 4.05Å; E130-Y273 HydrophobicContact CG-CE1 4.46Å; E130-Y273 HydrophobicContact CG-CE2 4.42Å; E130-Y273 HydrophobicContact CG-CG 3.92Å; E130-Y273 WeakPolarHBondContact OE1-CD2 3.43Å; E130-Y273 WeakPolarHBondContact OE2-CB 3.32Å
131	S	98.8	Very high	98.7	Very high	23 Å²	23	18.4 Å²	18.4	16%	0.161	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-40.3	177.3	-71.7	0	0	0	0	114.3	L71 K74 E127 S128 I129 S134	L71-S131 WeakPolarHBondContact CD2-O 3.42Å; K74-S131 PolarHBondContact NZ-O 2.87Å; E127-S131 VanDerWaalsContact O-CB 3.27Å; E127-S131 WeakPolarHBondContact O-CB 3.35Å; E127-S131 PolarHBondContact O-N 3.3Å; E127-S131 PolarHBondContact O-OG 3.26Å; S128-S131 WeakPolarHBondContact O-CB 3.16Å; S128-S131 PolarHBondContact O-N 3.48Å; I129-S131 PolarHBondContact O-N 3.04Å; S131-S134 PolarHBondContact O-OG 3.31Å; S131-S134 VanDerWaalsContact O-OG 3.14Å
132	I	98.8	Very high	98.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-77.9	-39.2	173.8	-168.6	174.1	0	0	0	112.6	V67 L71 S128 I129 E130 S134 V135 F137 H139 M161 F164	V67-I132 HydrophobicContact CG1-CD1 4.03Å; V67-I132 HydrophobicContact CG1-CG1 4.42Å; L71-I132 HydrophobicContact CD1-CB 4.35Å; L71-I132 HydrophobicContact CD1-CG1 4.27Å; S128-I132 PolarHBondContact O-N 3.02Å; S128-I132 VanDerWaalsContact O-N 3.16Å; I129-I132 WeakPolarHBondContact O-CG2 3.48Å; I129-I132 PolarHBondContact O-N 3.22Å; E130-I132 PolarHBondContact O-N 3.41Å; I132-S134 VanDerWaalsContact C-N 3.31Å; I132-S134 PolarHBondContact O-N 3.33Å; I132-V135 WeakPolarHBondContact O-CG2 3.42Å; I132-V135 PolarHBondContact O-N 3.2Å; I132-F137 CarbonylContact C-O 3.51Å; I132-F137 VanDerWaalsContact C-O 3.3Å; I132-F137 HydrophobicContact CD1-CB 4.17Å; I132-F137 HydrophobicContact CG1-CB 3.74Å; I132-F137 PolarHBondContact O-N 3.15Å; I132-F137 VanDerWaalsContact O-O 3.04Å; I132-H139 HydrophobicContact CD1-CB 4.15Å; I132-M161 HydrophobicContact CB-SD 4.49Å; I132-M161 HydrophobicContact CD1-SD 4.38Å; I132-M161 HydrophobicContact CG2-CE 4Å; I132-M161 HydrophobicContact CG2-SD 4.2Å; I132-F164 HydrophobicContact CD1-CD1 3.74Å; I132-F164 HydrophobicContact CD1-CE1 3.95Å
133	H	98.8	Very high	98.6	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.032	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-37	177.6	-68.1	172.3	0	0	0	112	I129 E130 V135 G136 F137 F170 R205 D208 Y273	I129-H133 WeakPolarHBondContact CG2-CE1 3.37Å; I129-H133 WeakPolarHBondContact O-CB 3.46Å; I129-H133 VanDerWaalsContact O-CG 3.24Å; I129-H133 PolarHBondContact O-N 2.92Å; E130-H133 PolarHBondContact O-N 3.07Å; H133-V135 VanDerWaalsContact C-N 3.31Å; H133-V135 PolarHBondContact O-N 3.14Å; H133-G136 PolarHBondContact O-N 2.78Å; H133-G136 VanDerWaalsContact O-N 3.11Å; H133-F137 WeakPolarHBondContact CA-O 3.23Å; H133-F137 PolarHBondContact CD2-O 2.89Å; H133-F137 VanDerWaalsContact CD2-O 3.3Å; H133-F137 PolarHBondContact N-O 2.9Å; H133-F170 WeakPolarHBondContact O-CE1 3.28Å; H133-F170 WeakPolarHBondContact O-CZ 3.41Å; H133-R205 HydrophobicContact CB-CG 4.29Å; H133-R205 PolarHBondContact CE1-O 3.32Å; H133-D208 IonicContact CD2-OD2 2.68Å; H133-D208 WeakPolarHBondContact CE1-CB 3.46Å; H133-D208 IonicContact CE1-OD2 3.69Å; H133-D208 WeakPolarHBondContact NE2-CB 3.03Å; H133-D208 IonicContact NE2-OD1 3.21Å; H133-D208 IonicContact NE2-OD2 3.52Å; H133-D208 PolarHBondContact NE2-OD2 2.84Å; H133-Y273 WeakPolarHBondContact CB-OH 3.25Å; H133-Y273 AromaticContact ND1-CE1 3.67Å; H133-Y273 AromaticContact ND1-CZ 3.59Å; H133-Y273 PolarHBondContact ND1-OH 3.13Å
134	S	98.4	Very high	98.6	Very high	77 Å²	77	17.4 Å²	17.4	54%	0.538	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.9	177.9	53.4	0	0	0	0	115.1	K74 E130 S131 I132	K74-S134 PolarHBondContact NZ-OG 3.35Å; E130-S134 VanDerWaalsContact O-CB 3.25Å; E130-S134 WeakPolarHBondContact O-CB 3.11Å; E130-S134 PolarHBondContact O-N 2.88Å; E130-S134 PolarHBondContact O-OG 3.46Å; S131-S134 PolarHBondContact O-OG 3.31Å; S131-S134 VanDerWaalsContact O-OG 3.14Å; I132-S134 VanDerWaalsContact C-N 3.31Å; I132-S134 PolarHBondContact O-N 3.33Å
135	V	97.9	Very high	98.6	Very high	33 Å²	33	18.2 Å²	18.2	20%	0.2	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	7.5	167.4	-60.1	0	0	0	0	113.3	K70 L71 I132 H133 F137	K70-V135 HydrophobicContact CB-CB 4.43Å; L71-V135 HydrophobicContact CD2-CG1 4.25Å; L71-V135 HydrophobicContact CD2-CG2 3.75Å; L71-V135 HydrophobicContact CG-CG2 4.12Å; I132-V135 WeakPolarHBondContact O-CG2 3.42Å; I132-V135 PolarHBondContact O-N 3.2Å; H133-V135 VanDerWaalsContact C-N 3.31Å; H133-V135 PolarHBondContact O-N 3.14Å; V135-F137 HydrophobicContact CG2-CD2 4.23Å; V135-F137 WeakPolarHBondContact O-CD2 3.24Å
136	G	98.1	Very high	98.5	Very high	4 Å²	4	18.6 Å²	18.6	4%	0.041	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	11.6	174.4	0	0	0	0	0	115.5	H133 Q169 F170 T171	H133-G136 PolarHBondContact O-N 2.78Å; H133-G136 VanDerWaalsContact O-N 3.11Å; G136-Q169 CarbonylContact O-C 3.6Å; G136-Q169 VanDerWaalsContact O-CA 3.3Å; G136-Q169 WeakPolarHBondContact O-CA 3.44Å; G136-Q169 WeakPolarHBondContact O-CG 3.25Å; G136-F170 VanDerWaalsContact C-CD1 3.41Å; G136-F170 WeakPolarHBondContact O-CD1 3.37Å; G136-F170 PolarHBondContact O-N 2.87Å; G136-T171 WeakPolarHBondContact CA-OG1 3.34Å; G136-T171 PolarHBondContact O-N 3.09Å
137	F	98.7	Very high	98.5	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.3	-176.5	-73.2	-96.3	0	0	0	112.4	M63 V67 K70 I132 H133 V135 R168 Q169	M63-F137 HydrophobicContact SD-CE1 3.64Å; M63-F137 HydrophobicContact SD-CZ 4.39Å; V67-F137 HydrophobicContact CG2-CB 4.45Å; V67-F137 HydrophobicContact CG2-CD1 3.39Å; V67-F137 HydrophobicContact CG2-CD2 4.32Å; V67-F137 HydrophobicContact CG2-CE1 3.59Å; V67-F137 HydrophobicContact CG2-CG 3.79Å; V67-F137 HydrophobicContact CG2-CZ 4.17Å; K70-F137 HydrophobicContact CD-CD2 4.37Å; K70-F137 HydrophobicContact CD-CE2 3.6Å; K70-F137 HydrophobicContact CD-CZ 4.32Å; I132-F137 CarbonylContact C-O 3.51Å; I132-F137 VanDerWaalsContact C-O 3.3Å; I132-F137 HydrophobicContact CD1-CB 4.17Å; I132-F137 HydrophobicContact CG1-CB 3.74Å; I132-F137 PolarHBondContact O-N 3.15Å; I132-F137 VanDerWaalsContact O-O 3.04Å; H133-F137 WeakPolarHBondContact CA-O 3.23Å; H133-F137 PolarHBondContact CD2-O 2.89Å; H133-F137 VanDerWaalsContact CD2-O 3.3Å; H133-F137 PolarHBondContact N-O 2.9Å; V135-F137 HydrophobicContact CG2-CD2 4.23Å; V135-F137 WeakPolarHBondContact O-CD2 3.24Å; F137-R168 WeakPolarHBondContact CA-O 3.39Å; F137-Q169 HydrophobicContact CD1-CB 3.96Å; F137-Q169 HydrophobicContact CD2-CG 4.46Å; F137-Q169 HydrophobicContact CE1-CB 3.54Å; F137-Q169 HydrophobicContact CE1-CG 4.14Å; F137-Q169 HydrophobicContact CE2-CB 4.32Å; F137-Q169 HydrophobicContact CE2-CG 4.01Å; F137-Q169 HydrophobicContact CZ-CB 3.74Å; F137-Q169 HydrophobicContact CZ-CG 3.85Å
138	L	98.8	Very high	98.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	146.8	165.8	-55.3	178	0	0	0	109.1	R140 A167 R168 F170 M203 R205	L138-R140 HydrophobicContact CB-CG 3.73Å; L138-A167 CarbonylContact O-C 3.53Å; L138-A167 WeakPolarHBondContact O-CA 3.45Å; L138-A167 VanDerWaalsContact O-CB 3.32Å; L138-A167 WeakPolarHBondContact O-CB 3.43Å; L138-R168 PolarHBondContact N-O 2.86Å; L138-R168 PolarHBondContact O-N 3.48Å; L138-F170 HydrophobicContact CD1-CB 4.05Å; L138-F170 HydrophobicContact CD2-CB 4.43Å; L138-F170 HydrophobicContact CD2-CD1 3.54Å; L138-F170 HydrophobicContact CD2-CE1 4.03Å; L138-F170 HydrophobicContact CD2-CG 4.07Å; L138-F170 HydrophobicContact CG-CB 3.96Å; L138-F170 HydrophobicContact CG-CD1 3.68Å; L138-F170 HydrophobicContact CG-CG 4.09Å; L138-M203 WeakPolarHBondContact CD1-O 3.29Å; L138-R205 HydrophobicContact CD2-CB 4.29Å; L138-R205 HydrophobicContact CD2-CG 3.71Å
139	H	98.8	Very high	98.5	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	10%	0.095	C	C	.	.			trans	-82.6	-43.8	177.9	-175.4	-93.6	0	0	0	111.6	I132 D141 I142 M161 L162 D208	I132-H139 HydrophobicContact CD1-CB 4.15Å; H139-D141 VanDerWaalsContact CE1-C 3.48Å; H139-D141 PolarHBondContact CE1-O 2.9Å; H139-D141 VanDerWaalsContact ND1-C 3.27Å; H139-D141 PolarHBondContact ND1-N 2.92Å; H139-D141 PolarHBondContact O-N 2.85Å; H139-I142 HydrophobicContact CB-CD1 3.76Å; H139-I142 HydrophobicContact CB-CG1 3.97Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.2Å; H139-I142 PolarHBondContact ND1-N 3.2Å; H139-I142 VanDerWaalsContact ND1-N 3.17Å; H139-M161 HydrophobicContact CB-SD 4.46Å; H139-M161 PolarHBondContact CD2-SD 2.64Å; H139-L162 PolarHBondContact NE2-O 2.72Å; H139-D208 PolarHBondContact N-OD2 3.18Å
140	R	98.5	Very high	98.4	Very high	27 Å²	27	16.4 Å²	16.4	10%	0.102	10%	0.098	C	C	.	.	S	Bend	trans	63.6	-4.6	176.3	-52.2	-169.9	-58.5	169.9	-1.3	117.5	L138 L166 A167 M203 D208	L138-R140 HydrophobicContact CB-CG 3.73Å; R140-L166 VanDerWaalsContact CZ-O 3.25Å; R140-L166 PolarHBondContact NE-O 2.91Å; R140-L166 PolarHBondContact NH2-O 2.9Å; R140-A167 PolarHBondContact NH2-O 2.68Å; R140-M203 HydrophobicContact CB-CE 3.71Å; R140-M203 HydrophobicContact CB-SD 3.96Å; R140-M203 HydrophobicContact CG-CB 4.44Å; R140-M203 HydrophobicContact CG-CE 4.02Å; R140-M203 HydrophobicContact CG-SD 4.09Å; R140-D208 VanDerWaalsContact CA-OD1 3.29Å; R140-D208 WeakPolarHBondContact CA-OD1 3.47Å; R140-D208 PolarHBondContact N-OD1 3.23Å
141	D	97.8	Very high	98.3	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.053	10%	0.097	C	C	.	.			trans	-133.7	40.9	172.6	-158.1	14.1	0	0	0	112.7	H139 K143 L166 G188 T189	H139-D141 VanDerWaalsContact CE1-C 3.48Å; H139-D141 PolarHBondContact CE1-O 2.9Å; H139-D141 VanDerWaalsContact ND1-C 3.27Å; H139-D141 PolarHBondContact ND1-N 2.92Å; H139-D141 PolarHBondContact O-N 2.85Å; D141-K143 WeakPolarHBondContact O-CG 3.5Å; D141-K143 PolarHBondContact O-N 3.37Å; D141-K143 VanDerWaalsContact O-N 3.14Å; D141-K143 WeakPolarHBondContact OD1-CD 3.37Å; D141-K143 IonicContact OD1-NZ 3.43Å; D141-K143 WeakPolarHBondContact OD2-CE 3.19Å; D141-K143 IonicContact OD2-NZ 3.55Å; D141-K143 PolarHBondContact OD2-NZ 3.38Å; D141-L166 HydrophobicContact CB-CB 4.36Å; D141-L166 HydrophobicContact CB-CD1 3.89Å; D141-L166 WeakPolarHBondContact OD2-CD1 3.32Å; D141-G188 VanDerWaalsContact CG-CA 3.43Å; D141-G188 VanDerWaalsContact OD1-CA 3.24Å; D141-G188 WeakPolarHBondContact OD1-CA 3.38Å; D141-T189 VanDerWaalsContact OD1-CB 3.23Å; D141-T189 WeakPolarHBondContact OD1-CB 3.47Å; D141-T189 PolarHBondContact OD1-N 3.21Å; D141-T189 PolarHBondContact OD1-OG1 3.38Å
142	I	98.8	Very high	98.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.104	C	C	.	.			trans	-58.8	113.9	175.6	-68.2	-67.8	0	0	0	109.2	I129 H139 F147 M161 D208 M215	I129-I142 HydrophobicContact CD1-CD1 3.92Å; I129-I142 HydrophobicContact CD1-CG1 4.24Å; I129-I142 HydrophobicContact CD1-CG2 4.22Å; I129-I142 HydrophobicContact CG1-CD1 3.79Å; I129-I142 HydrophobicContact CG1-CG1 4.49Å; H139-I142 HydrophobicContact CB-CD1 3.76Å; H139-I142 HydrophobicContact CB-CG1 3.97Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.2Å; H139-I142 PolarHBondContact ND1-N 3.2Å; H139-I142 VanDerWaalsContact ND1-N 3.17Å; I142-F147 HydrophobicContact CD1-CE2 3.96Å; I142-F147 HydrophobicContact CD1-CZ 3.77Å; I142-F147 HydrophobicContact CG2-CE2 4.21Å; I142-M161 HydrophobicContact CD1-CE 4.01Å; I142-D208 HydrophobicContact CG1-CB 3.93Å; I142-D208 WeakPolarHBondContact CG1-OD1 3.43Å; I142-M215 HydrophobicContact CG2-SD 3.69Å
143	K	98.4	Very high	97.9	Very high	30 Å²	30	24.4 Å²	24.4	13%	0.13	14%	0.139	C	C	.	.			trans	-160.3	156.6	-176.3	67.9	-164.7	173.7	-172.2	0	111.4	D141 S145 N146 F147 T189 Y192 M215	D141-K143 WeakPolarHBondContact O-CG 3.5Å; D141-K143 PolarHBondContact O-N 3.37Å; D141-K143 VanDerWaalsContact O-N 3.14Å; D141-K143 WeakPolarHBondContact OD1-CD 3.37Å; D141-K143 IonicContact OD1-NZ 3.43Å; D141-K143 WeakPolarHBondContact OD2-CE 3.19Å; D141-K143 IonicContact OD2-NZ 3.55Å; D141-K143 PolarHBondContact OD2-NZ 3.38Å; K143-S145 WeakPolarHBondContact CE-OG 3.5Å; K143-S145 WeakPolarHBondContact CG-OG 3.25Å; K143-S145 PolarHBondContact O-N 3.22Å; K143-N146 WeakPolarHBondContact CE-OD1 3.32Å; K143-N146 HydrophobicContact CG-CB 4.1Å; K143-N146 PolarHBondContact O-N 3.05Å; K143-F147 WeakPolarHBondContact O-CD2 3.48Å; K143-T189 HydrophobicContact CD-CG2 4.38Å; K143-T189 WeakPolarHBondContact CD-OG1 3.34Å; K143-T189 PolarHBondContact NZ-OG1 3.46Å; K143-Y192 HydrophobicContact CB-CD2 3.47Å; K143-Y192 VanDerWaalsContact CB-CD2 3.47Å; K143-Y192 HydrophobicContact CB-CE2 3.68Å; K143-Y192 HydrophobicContact CB-CG 4.28Å; K143-M215 VanDerWaalsContact C-SD 3.54Å; K143-M215 WeakPolarHBondContact CA-SD 3.42Å
144	P	98.6	Very high	97.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.2	-172.5	-18.9	32.1	0	0	0	115.9	L101 A102 Y192 M215 F219	L101-P144 CarbonylContact C-O 3.53Å; L101-P144 WeakPolarHBondContact CA-O 3.33Å; L101-P144 HydrophobicContact CB-CB 4.07Å; L101-P144 WeakPolarHBondContact CB-O 3.19Å; L101-P144 PolarHBondContact N-O 3.28Å; L101-P144 VanDerWaalsContact N-O 3.11Å; A102-P144 HydrophobicContact CB-CB 3.89Å; A102-P144 PolarHBondContact N-O 3.41Å; P144-Y192 HydrophobicContact CG-CE1 4.25Å; P144-M215 HydrophobicContact CB-CE 4.33Å; P144-M215 HydrophobicContact CG-CB 4.47Å; P144-M215 HydrophobicContact CG-CE 4.01Å; P144-M215 HydrophobicContact CG-CG 3.82Å; P144-M215 HydrophobicContact CG-SD 4.2Å; P144-F219 HydrophobicContact CB-CE1 3.74Å; P144-F219 HydrophobicContact CB-CZ 4Å; P144-F219 HydrophobicContact CG-CE1 3.61Å; P144-F219 HydrophobicContact CG-CZ 4.1Å
145	S	97.1	Very high	97.6	Very high	51 Å²	51	26 Å²	26	36%	0.357	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-21.8	171.2	61.2	0	0	0	0	113.2	K143 F147	K143-S145 WeakPolarHBondContact CE-OG 3.5Å; K143-S145 WeakPolarHBondContact CG-OG 3.25Å; K143-S145 PolarHBondContact O-N 3.22Å; S145-F147 VanDerWaalsContact C-N 3.25Å
146	N	98.3	Very high	97.5	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.043	15%	0.153	C	C	.	.	S	Bend	trans	-94.7	15.5	-179.3	-72.6	39	0	0	0	111.6	K143 L162 D163	K143-N146 WeakPolarHBondContact CE-OD1 3.32Å; K143-N146 HydrophobicContact CG-CB 4.1Å; K143-N146 PolarHBondContact O-N 3.05Å; N146-L162 WeakPolarHBondContact CB-O 2.98Å; N146-L162 PolarHBondContact ND2-O 2.92Å; N146-L162 PolarHBondContact O-N 3.07Å; N146-D163 WeakPolarHBondContact ND2-CB 3.11Å; N146-D163 PolarHBondContact ND2-OD2 2.98Å; N146-D163 VanDerWaalsContact ND2-OD2 3.07Å
147	F	98.8	Very high	97.5	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.6	169.9	-72.5	-78.9	0	0	0	108.9	N100 L101 I125 S128 I142 K143 S145 Y160 M161 M215	N100-F147 CarbonylContact C-O 3.59Å; N100-F147 WeakPolarHBondContact CA-O 3.31Å; N100-F147 WeakPolarHBondContact CB-O 3.35Å; L101-F147 HydrophobicContact CD1-CB 3.61Å; L101-F147 HydrophobicContact CD1-CG 4.45Å; L101-F147 HydrophobicContact CG-CB 3.85Å; L101-F147 PolarHBondContact N-O 3.4Å; I125-F147 HydrophobicContact CB-CE1 4.36Å; I125-F147 HydrophobicContact CD1-CG 4.49Å; I125-F147 HydrophobicContact CG1-CD1 3.89Å; I125-F147 HydrophobicContact CG1-CE1 3.99Å; I125-F147 HydrophobicContact CG1-CG 4.18Å; I125-F147 HydrophobicContact CG1-CZ 4.38Å; I125-F147 HydrophobicContact CG2-CE1 3.91Å; I125-F147 HydrophobicContact CG2-CE2 4.01Å; I125-F147 HydrophobicContact CG2-CZ 3.59Å; S128-F147 WeakPolarHBondContact OG-CE1 3.44Å; I142-F147 HydrophobicContact CD1-CE2 3.96Å; I142-F147 HydrophobicContact CD1-CZ 3.77Å; I142-F147 HydrophobicContact CG2-CE2 4.21Å; K143-F147 WeakPolarHBondContact O-CD2 3.48Å; S145-F147 VanDerWaalsContact C-N 3.25Å; F147-Y160 VanDerWaalsContact CA-O 3.27Å; F147-Y160 WeakPolarHBondContact CA-O 3.5Å; F147-M161 HydrophobicContact CD1-CB 4.32Å; F147-M161 HydrophobicContact CE1-CB 3.72Å; F147-M161 HydrophobicContact CE1-CE 4.21Å; F147-M161 HydrophobicContact CE1-CG 3.95Å; F147-M161 HydrophobicContact CZ-CB 4.35Å; F147-M161 HydrophobicContact CZ-CE 4.01Å; F147-M161 HydrophobicContact CZ-CG 4.07Å; F147-M215 HydrophobicContact CD2-CE 3.85Å; F147-M215 HydrophobicContact CE2-CE 4.22Å; F147-M215 HydrophobicContact CE2-SD 4.46Å
148	A	98.6	Very high	97.5	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.2	177.1	0	0	0	0	0	112.2	Q97 R99 N100 C159 Y160 L162	Q97-A148 HydrophobicContact CB-CB 4.13Å; R99-A148 WeakPolarHBondContact O-CA 3.24Å; N100-A148 HydrophobicContact CB-CB 4.36Å; A148-C159 CarbonylContact O-C 3.56Å; A148-C159 WeakPolarHBondContact O-CA 3.4Å; A148-Y160 PolarHBondContact N-O 2.76Å; A148-Y160 PolarHBondContact O-N 3.23Å; A148-L162 HydrophobicContact CB-CD1 3.78Å
149	M	98.7	Very high	97.5	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	151.9	170.4	-56.2	-48.9	-63.1	0	0	110	G98 R99 L101 L104 L121 C156 R157 K158 C159 F295 W297	G98-M149 VanDerWaalsContact CA-O 3.25Å; G98-M149 WeakPolarHBondContact CA-O 3.42Å; G98-M149 PolarHBondContact N-O 3.37Å; R99-M149 PolarHBondContact O-N 3.43Å; L101-M149 HydrophobicContact CD2-CG 4.31Å; L101-M149 HydrophobicContact CD2-SD 3.87Å; L104-M149 HydrophobicContact CD1-CG 3.64Å; L121-M149 HydrophobicContact CD2-CE 4.48Å; L121-M149 HydrophobicContact CD2-SD 3.77Å; M149-C156 VanDerWaalsContact CE-O 3.32Å; M149-C156 WeakPolarHBondContact CE-O 3.28Å; M149-R157 VanDerWaalsContact CE-C 3.46Å; M149-K158 CarbonylContact C-O 3.58Å; M149-K158 WeakPolarHBondContact CA-O 3.48Å; M149-K158 WeakPolarHBondContact CE-O 3.14Å; M149-C159 HydrophobicContact CE-CB 4.33Å; M149-C159 HydrophobicContact SD-CB 3.88Å; M149-F295 HydrophobicContact CE-CE2 4.08Å; M149-F295 HydrophobicContact CE-CZ 4.42Å; M149-W297 HydrophobicContact CE-CZ2 4.02Å; M149-W297 HydrophobicContact CG-CH2 4.14Å; M149-W297 HydrophobicContact CG-CZ2 3.61Å; M149-W297 HydrophobicContact SD-CH2 4.08Å; M149-W297 HydrophobicContact SD-CZ2 3.88Å
150	G	97.8	Very high	97.5	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	18%	0.182	C	C	.	.			trans	-60	167	169.4	0	0	0	0	0	112.6	T155 C156 K158	G150-T155 VanDerWaalsContact CA-O 3.23Å; G150-T155 WeakPolarHBondContact CA-O 3.2Å; G150-T155 PolarHBondContact N-O 3.37Å; G150-C156 WeakPolarHBondContact O-CA 3.37Å; G150-K158 PolarHBondContact N-O 3.3Å
151	R	96.8	Very high	97.5	Very high	55 Å²	55	32.6 Å²	32.6	21%	0.208	18%	0.178	C	C	.	.	S	Bend	trans	-109.1	-10.8	-175.1	67.3	167.4	-172.7	-157	-7	115.1	N46 L96	N46-R151 VanDerWaalsContact O-CZ 3.23Å; N46-R151 PolarHBondContact O-NH1 3.43Å; N46-R151 PolarHBondContact O-NH2 2.91Å; L96-R151 VanDerWaalsContact O-CD 3.24Å; L96-R151 WeakPolarHBondContact O-CD 3.35Å; L96-R151 PolarHBondContact O-NE 3.23Å
152	F	94.9	Very high	97.5	Very high	73 Å²	73	34.1 Å²	34.1	32%	0.32	19%	0.186	S	C	.	.	S	Bend	trans	-108.4	158	-176.2	-60.6	-63.2	0	0	0	110.4	S154 T155 C156	F152-S154 PolarHBondContact O-N 2.95Å; F152-S154 VanDerWaalsContact O-N 3.12Å; F152-T155 PolarHBondContact N-OG1 2.9Å; F152-T155 CarbonylContact O-C 3.57Å; F152-T155 PolarHBondContact O-N 2.79Å; F152-T155 PolarHBondContact O-OG1 3.32Å; F152-C156 WeakPolarHBondContact O-CB 3.4Å; F152-C156 PolarHBondContact O-N 3.1Å
153	P	94	Very high	97.3	Very high	113 Å²	113	36.3 Å²	36.3	73%	0.734	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-34	179.6	-28.5	36.4	0	0	0	114.7	T155 C156	P153-T155 VanDerWaalsContact C-N 3.3Å; P153-T155 PolarHBondContact O-N 2.82Å; P153-C156 PolarHBondContact O-SG 3.36Å
154	S	94.6	Very high	97.2	Very high	101 Å²	101	35.1 Å²	35.1	71%	0.706	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-10	175.7	52.6	0	0	0	0	115.1	F152	F152-S154 PolarHBondContact O-N 2.95Å; F152-S154 VanDerWaalsContact O-N 3.12Å
155	T	96.6	Very high	97	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.098	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-10.8	-171.4	56.1	0	0	0	0	114.4	G150 F152 P153 R157 K158 Y160	G150-T155 VanDerWaalsContact CA-O 3.23Å; G150-T155 WeakPolarHBondContact CA-O 3.2Å; G150-T155 PolarHBondContact N-O 3.37Å; F152-T155 PolarHBondContact N-OG1 2.9Å; F152-T155 CarbonylContact O-C 3.57Å; F152-T155 PolarHBondContact O-N 2.79Å; F152-T155 PolarHBondContact O-OG1 3.32Å; P153-T155 VanDerWaalsContact C-N 3.3Å; P153-T155 PolarHBondContact O-N 2.82Å; T155-R157 PolarHBondContact O-N 3.35Å; T155-K158 PolarHBondContact O-N 2.94Å; T155-Y160 WeakPolarHBondContact CG2-OH 3.48Å
156	C	95.8	Very high	96.9	Very high	38 Å²	38	33.5 Å²	33.5	26%	0.257	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.3	-175.6	58.1	0	0	0	0	114.5	M149 G150 F152 P153	M149-C156 VanDerWaalsContact CE-O 3.32Å; M149-C156 WeakPolarHBondContact CE-O 3.28Å; G150-C156 WeakPolarHBondContact O-CA 3.37Å; F152-C156 WeakPolarHBondContact O-CB 3.4Å; F152-C156 PolarHBondContact O-N 3.1Å; P153-C156 PolarHBondContact O-SG 3.36Å
157	R	97.8	Very high	96.9	Very high	76 Å²	76	33.6 Å²	33.6	29%	0.287	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.4	176.3	-65.4	173.9	64	98.5	-1.1	113.8	Q124 M149 T155 E291 S292 D293 F295 E298	Q124-R157 PolarHBondContact NE2-O 2.18Å; M149-R157 VanDerWaalsContact CE-C 3.46Å; T155-R157 PolarHBondContact O-N 3.35Å; R157-E291 PolarHBondContact NH2-O 3.34Å; R157-S292 VanDerWaalsContact NH2-CA 3.29Å; R157-S292 PolarHBondContact NH2-O 3.18Å; R157-D293 PolarHBondContact NH1-O 3.14Å; R157-D293 PolarHBondContact NH2-O 3.46Å; R157-F295 HydrophobicContact CB-CE2 3.99Å; R157-F295 HydrophobicContact CG-CD2 4.23Å; R157-F295 HydrophobicContact CG-CE2 4.15Å; R157-E298 WeakPolarHBondContact CG-OE1 3.34Å; R157-E298 IonicContact CZ-OE2 3.48Å; R157-E298 IonicContact NH1-OE2 2.79Å; R157-E298 PolarHBondContact NH1-OE2 3.35Å
158	K	98.4	Very high	96.8	Very high	78 Å²	78	36 Å²	36	34%	0.339	19%	0.193	S	C	.	.			trans	-95.1	132.5	169.2	-64.2	-162.4	175.1	-159.3	0	110.5	D75 M149 G150 T155 Y160	D75-K158 VanDerWaalsContact CG-NZ 3.35Å; D75-K158 WeakPolarHBondContact OD1-CD 3.43Å; D75-K158 IonicContact OD1-NZ 2.68Å; D75-K158 PolarHBondContact OD1-NZ 3.07Å; D75-K158 WeakPolarHBondContact OD2-CE 3.33Å; D75-K158 IonicContact OD2-NZ 3.17Å; D75-K158 PolarHBondContact OD2-NZ 2.66Å; M149-K158 CarbonylContact C-O 3.58Å; M149-K158 WeakPolarHBondContact CA-O 3.48Å; M149-K158 WeakPolarHBondContact CE-O 3.14Å; G150-K158 PolarHBondContact N-O 3.3Å; T155-K158 PolarHBondContact O-N 2.94Å; K158-Y160 HydrophobicContact CB-CE2 3.84Å
159	C	98.7	Very high	96.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.7	172.1	-153.7	0	0	0	0	110.1	H76 L121 Q124 A148 M149	H76-C159 WeakPolarHBondContact CA-O 3.48Å; H76-C159 VanDerWaalsContact CB-O 3.28Å; H76-C159 WeakPolarHBondContact CB-O 3.32Å; H76-C159 PolarHBondContact ND1-O 2.74Å; L121-C159 HydrophobicContact CD2-CB 4.27Å; Q124-C159 HydrophobicContact CB-CB 4.3Å; A148-C159 CarbonylContact O-C 3.56Å; A148-C159 WeakPolarHBondContact O-CA 3.4Å; M149-C159 HydrophobicContact CE-CB 4.33Å; M149-C159 HydrophobicContact SD-CB 3.88Å
160	Y	98.9	Very high	96.8	Very high	13 Å²	13	39 Å²	39	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.2	-176.4	-67.5	-92.3	0	0	0	111.3	H76 Q97 F147 A148 T155 K158	H76-Y160 CarbonylContact O-C 3.31Å; H76-Y160 VanDerWaalsContact O-CA 3.3Å; H76-Y160 WeakPolarHBondContact O-CA 3.42Å; Q97-Y160 HydrophobicContact CG-CD2 4.2Å; Q97-Y160 HydrophobicContact CG-CG 4.1Å; Q97-Y160 VanDerWaalsContact NE2-CD1 3.3Å; F147-Y160 VanDerWaalsContact CA-O 3.27Å; F147-Y160 WeakPolarHBondContact CA-O 3.5Å; A148-Y160 PolarHBondContact N-O 2.76Å; A148-Y160 PolarHBondContact O-N 3.23Å; T155-Y160 WeakPolarHBondContact CG2-OH 3.48Å; K158-Y160 HydrophobicContact CB-CE2 3.84Å
161	M	98.8	Very high	96.8	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.4	170.6	-171.8	-174.8	-69.2	0	0	110.7	H76 S128 I129 I132 H139 I142 F147 F164	H76-M161 PolarHBondContact O-N 3.4Å; S128-M161 VanDerWaalsContact O-CE 3.28Å; S128-M161 WeakPolarHBondContact O-CE 3.45Å; S128-M161 VanDerWaalsContact OG-CE 3.32Å; S128-M161 WeakPolarHBondContact OG-CE 3.29Å; I129-M161 HydrophobicContact CG1-CE 3.94Å; I132-M161 HydrophobicContact CB-SD 4.49Å; I132-M161 HydrophobicContact CD1-SD 4.38Å; I132-M161 HydrophobicContact CG2-CE 4Å; I132-M161 HydrophobicContact CG2-SD 4.2Å; H139-M161 HydrophobicContact CB-SD 4.46Å; H139-M161 PolarHBondContact CD2-SD 2.64Å; I142-M161 HydrophobicContact CD1-CE 4.01Å; F147-M161 HydrophobicContact CD1-CB 4.32Å; F147-M161 HydrophobicContact CE1-CB 3.72Å; F147-M161 HydrophobicContact CE1-CE 4.21Å; F147-M161 HydrophobicContact CE1-CG 3.95Å; F147-M161 HydrophobicContact CZ-CB 4.35Å; F147-M161 HydrophobicContact CZ-CE 4.01Å; F147-M161 HydrophobicContact CZ-CG 4.07Å; M161-F164 HydrophobicContact CG-CE1 4.08Å; M161-F164 HydrophobicContact CG-CZ 4.45Å; M161-F164 HydrophobicContact SD-CD1 4.44Å; M161-F164 HydrophobicContact SD-CE1 3.64Å; M161-F164 HydrophobicContact SD-CZ 4.45Å
162	L	97.6	Very high	96.7	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.215	21%	0.213	C	C	.	.			trans	-135.2	155.4	-173.3	-54	175.3	0	0	0	112.5	C78 Q97 H139 N146 A148	C78-L162 VanDerWaalsContact SG-CD2 3.54Å; Q97-L162 HydrophobicContact CG-CD2 4.29Å; H139-L162 PolarHBondContact NE2-O 2.72Å; N146-L162 WeakPolarHBondContact CB-O 2.98Å; N146-L162 PolarHBondContact ND2-O 2.92Å; N146-L162 PolarHBondContact O-N 3.07Å; A148-L162 HydrophobicContact CB-CD1 3.78Å
163	D	94.9	Very high	96.6	Very high	48 Å²	48	42.3 Å²	42.3	26%	0.257	24%	0.241	S	C	.	.			trans	64.4	74.5	167.5	172.9	42.2	0	0	0	114.5	K50 E64 N146 G165	K50-D163 IonicContact NZ-OD1 3.51Å; K50-D163 PolarHBondContact NZ-OD1 3.33Å; E64-D163 WeakPolarHBondContact OE1-CA 3.23Å; N146-D163 WeakPolarHBondContact ND2-CB 3.11Å; N146-D163 PolarHBondContact ND2-OD2 2.98Å; N146-D163 VanDerWaalsContact ND2-OD2 3.07Å; D163-G165 PolarHBondContact O-N 2.84Å
164	F	96.7	Very high	96.5	Very high	5 Å²	5	42.2 Å²	42.2	2%	0.022	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-79.2	12.4	176.7	-47.1	-80.4	0	0	0	113.5	E64 V67 L68 L71 I132 M161 L166 A167	E64-F164 HydrophobicContact CB-CB 4.32Å; E64-F164 HydrophobicContact CG-CB 4.01Å; E64-F164 HydrophobicContact CG-CD2 4.29Å; E64-F164 PolarHBondContact OE1-N 2.76Å; V67-F164 HydrophobicContact CB-CB 4.16Å; V67-F164 HydrophobicContact CB-CG 4.27Å; V67-F164 HydrophobicContact CG1-CB 3.95Å; V67-F164 HydrophobicContact CG1-CD1 3.57Å; V67-F164 HydrophobicContact CG1-CD2 4.26Å; V67-F164 HydrophobicContact CG1-CE1 4.1Å; V67-F164 HydrophobicContact CG1-CG 3.66Å; L68-F164 HydrophobicContact CB-CD2 4.48Å; L68-F164 HydrophobicContact CB-CE2 4.46Å; L68-F164 HydrophobicContact CD1-CE2 4.07Å; L71-F164 HydrophobicContact CD1-CD1 4.43Å; L71-F164 HydrophobicContact CD1-CE1 3.63Å; L71-F164 HydrophobicContact CD1-CZ 3.7Å; I132-F164 HydrophobicContact CD1-CD1 3.74Å; I132-F164 HydrophobicContact CD1-CE1 3.95Å; M161-F164 HydrophobicContact CG-CE1 4.08Å; M161-F164 HydrophobicContact CG-CZ 4.45Å; M161-F164 HydrophobicContact SD-CD1 4.44Å; M161-F164 HydrophobicContact SD-CE1 3.64Å; M161-F164 HydrophobicContact SD-CZ 4.45Å; F164-L166 PolarHBondContact O-N 2.83Å; F164-A167 HydrophobicContact CB-CB 4.15Å; F164-A167 WeakPolarHBondContact O-CB 3.28Å; F164-A167 PolarHBondContact O-N 2.8Å
165	G	93.6	Very high	96.5	Very high	7 Å²	7	39.7 Å²	39.7	7%	0.072	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-63.6	-13.5	-176.7	0	0	0	0	0	114.9	V60 D163	V60-G165 WeakPolarHBondContact CB-O 3.27Å; D163-G165 PolarHBondContact O-N 2.84Å
166	L	95.4	Very high	96.5	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-109.9	5.8	172.6	-69.4	179.5	0	0	0	114.2	F32 R140 D141 F164 R187	F32-L166 HydrophobicContact CD2-CD2 4.48Å; F32-L166 HydrophobicContact CE1-CD2 4.37Å; F32-L166 HydrophobicContact CE2-CD1 4.28Å; F32-L166 HydrophobicContact CE2-CD2 3.91Å; F32-L166 HydrophobicContact CE2-CG 4.31Å; F32-L166 HydrophobicContact CZ-CD2 3.86Å; R140-L166 VanDerWaalsContact CZ-O 3.25Å; R140-L166 PolarHBondContact NE-O 2.91Å; R140-L166 PolarHBondContact NH2-O 2.9Å; D141-L166 HydrophobicContact CB-CB 4.36Å; D141-L166 HydrophobicContact CB-CD1 3.89Å; D141-L166 WeakPolarHBondContact OD2-CD1 3.32Å; F164-L166 PolarHBondContact O-N 2.83Å; L166-R187 HydrophobicContact CD2-CB 4.48Å
167	A	97.4	Very high	96.6	Very high	11 Å²	11	43.6 Å²	43.6	9%	0.091	25%	0.25	C	C	.	.			trans	-61.6	162.6	179.3	0	0	0	0	0	113	V67 L138 R140 F164	V67-A167 HydrophobicContact CG2-CB 4.23Å; L138-A167 CarbonylContact O-C 3.53Å; L138-A167 WeakPolarHBondContact O-CA 3.45Å; L138-A167 VanDerWaalsContact O-CB 3.32Å; L138-A167 WeakPolarHBondContact O-CB 3.43Å; R140-A167 PolarHBondContact NH2-O 2.68Å; F164-A167 HydrophobicContact CB-CB 4.15Å; F164-A167 WeakPolarHBondContact O-CB 3.28Å; F164-A167 PolarHBondContact O-N 2.8Å
168	R	97.2	Very high	96.6	Very high	51 Å²	51	43.6 Å²	43.6	19%	0.192	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	132.4	174	175.6	168.5	174.9	77.6	-4.6	110.7	F137 L138 F170 E202	F137-R168 WeakPolarHBondContact CA-O 3.39Å; L138-R168 PolarHBondContact N-O 2.86Å; L138-R168 PolarHBondContact O-N 3.48Å; R168-F170 PolarHBondContact O-N 3.08Å; R168-E202 IonicContact CZ-OE2 2.77Å; R168-E202 VanDerWaalsContact CZ-OE2 3.25Å; R168-E202 IonicContact NE-OE1 3.8Å; R168-E202 PolarHBondContact NE-OE1 3.17Å; R168-E202 IonicContact NE-OE2 3.52Å; R168-E202 PolarHBondContact NE-OE2 2.86Å; R168-E202 IonicContact NH2-OE2 3.71Å; R168-E202 PolarHBondContact NH2-OE2 3.41Å
169	Q	98.1	Very high	96.6	Very high	61 Å²	61	45.3 Å²	45.3	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	117.1	170.5	-163.2	-177.4	-16.2	0	0	109.5	G136 F137 T171 R178	G136-Q169 CarbonylContact O-C 3.6Å; G136-Q169 VanDerWaalsContact O-CA 3.3Å; G136-Q169 WeakPolarHBondContact O-CA 3.44Å; G136-Q169 WeakPolarHBondContact O-CG 3.25Å; F137-Q169 HydrophobicContact CD1-CB 3.96Å; F137-Q169 HydrophobicContact CD2-CG 4.46Å; F137-Q169 HydrophobicContact CE1-CB 3.54Å; F137-Q169 HydrophobicContact CE1-CG 4.14Å; F137-Q169 HydrophobicContact CE2-CB 4.32Å; F137-Q169 HydrophobicContact CE2-CG 4.01Å; F137-Q169 HydrophobicContact CZ-CB 3.74Å; F137-Q169 HydrophobicContact CZ-CG 3.85Å; Q169-T171 WeakPolarHBondContact CG-O 3.41Å; Q169-T171 PolarHBondContact NE2-O 2.93Å; Q169-R178 PolarHBondContact O-NH1 2.76Å
170	F	98.2	Very high	96.6	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.048	28%	0.284	C	S	.	.			trans	-93.7	-13.4	175.5	74.8	-87.7	0	0	0	112.6	H133 G136 L138 R168 V177 R178 R205	H133-F170 WeakPolarHBondContact O-CE1 3.28Å; H133-F170 WeakPolarHBondContact O-CZ 3.41Å; G136-F170 VanDerWaalsContact C-CD1 3.41Å; G136-F170 WeakPolarHBondContact O-CD1 3.37Å; G136-F170 PolarHBondContact O-N 2.87Å; L138-F170 HydrophobicContact CD1-CB 4.05Å; L138-F170 HydrophobicContact CD2-CB 4.43Å; L138-F170 HydrophobicContact CD2-CD1 3.54Å; L138-F170 HydrophobicContact CD2-CE1 4.03Å; L138-F170 HydrophobicContact CD2-CG 4.07Å; L138-F170 HydrophobicContact CG-CB 3.96Å; L138-F170 HydrophobicContact CG-CD1 3.68Å; L138-F170 HydrophobicContact CG-CG 4.09Å; R168-F170 PolarHBondContact O-N 3.08Å; F170-V177 HydrophobicContact CD2-CG1 4.47Å; F170-V177 HydrophobicContact CD2-CG2 4.27Å; F170-V177 HydrophobicContact CE2-CG2 4.31Å; F170-R178 WeakPolarHBondContact O-CB 3.38Å; F170-R178 WeakPolarHBondContact O-CG 3.32Å; F170-R178 PolarHBondContact O-N 3.37Å; F170-R205 HydrophobicContact CE1-CG 4.24Å; F170-R205 HydrophobicContact CE2-CG 4.28Å; F170-R205 HydrophobicContact CZ-CG 4.03Å
171	T	98	Very high	96.5	Very high	17 Å²	17	49.9 Å²	49.9	10%	0.104	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-94.9	153.6	176	59.9	0	0	0	0	113.1	G136 Q169 G175 D176 R178	G136-T171 WeakPolarHBondContact CA-OG1 3.34Å; G136-T171 PolarHBondContact O-N 3.09Å; Q169-T171 WeakPolarHBondContact CG-O 3.41Å; Q169-T171 PolarHBondContact NE2-O 2.93Å; T171-G175 VanDerWaalsContact CG2-O 3.27Å; T171-G175 WeakPolarHBondContact CG2-O 3.25Å; T171-D176 CarbonylContact C-O 3.52Å; T171-D176 WeakPolarHBondContact CA-O 3.44Å; T171-R178 WeakPolarHBondContact O-CD 3.46Å
172	N	95.4	Very high	96.3	Very high	57 Å²	57	54.9 Å²	54.9	31%	0.305	33%	0.334	S	S	.	.			trans	-80	-173.6	164.3	71.7	6.4	0	0	0	110.6	C174 G175 D176 R178	N172-C174 PolarHBondContact O-N 3.07Å; N172-C174 WeakPolarHBondContact OD1-CA 3.47Å; N172-C174 WeakPolarHBondContact OD1-CB 3.29Å; N172-C174 PolarHBondContact OD1-N 2.81Å; N172-G175 PolarHBondContact O-N 2.77Å; N172-G175 PolarHBondContact OD1-N 3.41Å; N172-D176 PolarHBondContact N-O 2.9Å; N172-D176 PolarHBondContact ND2-OD2 2.86Å; N172-D176 PolarHBondContact OD1-N 2.63Å; N172-D176 PolarHBondContact OD1-OD2 3.28Å; N172-R178 HydrophobicContact CB-CG 4.4Å
173	S	92.4	Very high	96.2	Very high	129 Å²	129	58 Å²	58	90%	0.902	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.9	177.3	-48	0	0	0	0	114.5
174	C	92.8	Very high	96.3	Very high	111 Å²	111	56 Å²	56	75%	0.75	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-13	179.7	-52.4	0	0	0	0	112.8	N172 D176	N172-C174 PolarHBondContact O-N 3.07Å; N172-C174 WeakPolarHBondContact OD1-CA 3.47Å; N172-C174 WeakPolarHBondContact OD1-CB 3.29Å; N172-C174 PolarHBondContact OD1-N 2.81Å; C174-D176 WeakPolarHBondContact CB-OD2 3.38Å
175	G	93.6	Very high	96.1	Very high	47 Å²	47	57.9 Å²	57.9	49%	0.485	37%	0.366	S	S	.	.	S	Bend	trans	104.1	-10.8	-177.7	0	0	0	0	0	114.6	T171 N172	T171-G175 VanDerWaalsContact CG2-O 3.27Å; T171-G175 WeakPolarHBondContact CG2-O 3.25Å; N172-G175 PolarHBondContact O-N 2.77Å; N172-G175 PolarHBondContact OD1-N 3.41Å
176	D	96.7	Very high	96.2	Very high	96 Å²	96	59.3 Å²	59.3	51%	0.513	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-69	150.7	-179.6	-40.7	-67	0	0	0	111.8	T171 N172 C174 R178	T171-D176 CarbonylContact C-O 3.52Å; T171-D176 WeakPolarHBondContact CA-O 3.44Å; N172-D176 PolarHBondContact N-O 2.9Å; N172-D176 PolarHBondContact ND2-OD2 2.86Å; N172-D176 PolarHBondContact OD1-N 2.63Å; N172-D176 PolarHBondContact OD1-OD2 3.28Å; C174-D176 WeakPolarHBondContact CB-OD2 3.38Å; D176-R178 PolarHBondContact O-N 3.21Å
177	V	98.3	Very high	95.9	Very high	40 Å²	40	61.8 Å²	61.8	24%	0.242	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-65	124.5	173.8	-176.9	0	0	0	0	109.9	F170 Y267 F268	F170-V177 HydrophobicContact CD2-CG1 4.47Å; F170-V177 HydrophobicContact CD2-CG2 4.27Å; F170-V177 HydrophobicContact CE2-CG2 4.31Å; V177-Y267 HydrophobicContact CG1-CD1 4.08Å; V177-Y267 HydrophobicContact CG1-CE1 3.42Å; V177-Y267 VanDerWaalsContact CG1-CE1 3.42Å; V177-F268 HydrophobicContact CG1-CD1 4.28Å
178	R	98	Very high	95.7	Very high	76 Å²	76	62.1 Å²	62.1	29%	0.287	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62.6	149.2	177	-65.4	171.6	77.7	160.3	8.8	110.5	Q169 F170 T171 N172 D176 Y267	Q169-R178 PolarHBondContact O-NH1 2.76Å; F170-R178 WeakPolarHBondContact O-CB 3.38Å; F170-R178 WeakPolarHBondContact O-CG 3.32Å; F170-R178 PolarHBondContact O-N 3.37Å; T171-R178 WeakPolarHBondContact O-CD 3.46Å; N172-R178 HydrophobicContact CB-CG 4.4Å; D176-R178 PolarHBondContact O-N 3.21Å; R178-Y267 WeakPolarHBondContact O-CE1 2.8Å; R178-Y267 PolarHBondContact O-OH 3Å
179	P	97.8	Very high	95.6	Very high	115 Å²	115	61.9 Å²	61.9	75%	0.747	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-55.8	130.1	169.2	-25.6	35	0	0	0	111.4
180	P	97.9	Very high	95.6	Very high	51 Å²	51	60.7 Å²	60.7	33%	0.331	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.8	141.3	179.3	26.7	-32.7	0	0	0	110.9	E202 Y267 F268	P180-E202 HydrophobicContact CB-CB 3.69Å; P180-E202 HydrophobicContact CB-CG 4.1Å; P180-Y267 HydrophobicContact CB-CD1 3.88Å; P180-Y267 HydrophobicContact CB-CD2 4.49Å; P180-Y267 HydrophobicContact CB-CE1 3.71Å; P180-Y267 HydrophobicContact CB-CE2 4.36Å; P180-Y267 HydrophobicContact CB-CG 4.29Å; P180-Y267 HydrophobicContact CG-CD1 3.9Å; P180-Y267 HydrophobicContact CG-CE1 3.96Å; P180-F268 HydrophobicContact CG-CE1 4.22Å; P180-F268 HydrophobicContact CG-CE2 4.41Å; P180-F268 HydrophobicContact CG-CZ 3.65Å
181	R	97.1	Very high	95.6	Very high	60 Å²	60	63.5 Å²	63.5	23%	0.226	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.1	137.3	170.1	-69.4	175.2	-67.5	163.2	4.8	110.1	V183 E202 E350	R181-V183 PolarHBondContact O-N 2.82Å; R181-E202 IonicContact CZ-OE1 2.74Å; R181-E202 IonicContact CZ-OE2 3.25Å; R181-E202 IonicContact NE-OE1 2.64Å; R181-E202 IonicContact NE-OE2 3.58Å; R181-E202 PolarHBondContact NE-OE2 2.63Å; R181-E202 IonicContact NH2-OE1 2.87Å; R181-E202 PolarHBondContact NH2-OE1 2.81Å; R181-E202 IonicContact NH2-OE2 2.7Å; R181-E202 PolarHBondContact NH2-OE2 3.43Å; R181-E350 IonicContact CZ-OE1 3.92Å; R181-E350 IonicContact NE-OE1 2.72Å; R181-E350 IonicContact NH1-OE1 3.14Å; R181-E350 PolarHBondContact NH1-OE1 2.81Å; R181-E350 IonicContact NH1-OE2 3.9Å; R181-E350 PolarHBondContact NH1-OE2 3.42Å
182	A	95.4	Very high	95.6	Very high	108 Å²	108	63.6 Å²	63.6	89%	0.893	39%	0.393	S	S	*	.	S	Bend	trans	-58.2	-32.3	179.8	0	0	0	0	0	113.2
183	V	96.1	Very high	95.8	Very high	106 Å²	106	61.1 Å²	61.1	64%	0.642	38%	0.381	S	S	*	.			trans	-135.4	134.7	166	-178	0	0	0	0	108	R181 N200	R181-V183 PolarHBondContact O-N 2.82Å; V183-N200 HydrophobicContact CG1-CB 4.14Å
184	A	95.8	Very high	96.1	Very high	7 Å²	7	55 Å²	55	6%	0.058	34%	0.338	C	S	.	.			trans	-123.5	108.6	169.7	0	0	0	0	0	108.6	F186 N200 E202	A184-F186 PolarHBondContact O-N 3.39Å; A184-N200 PolarHBondContact N-O 2.77Å; A184-N200 CarbonylContact O-C 3.54Å; A184-N200 VanDerWaalsContact O-C 3.31Å; A184-N200 VanDerWaalsContact O-CA 3.31Å; A184-N200 WeakPolarHBondContact O-CA 3.4Å; A184-N200 WeakPolarHBondContact O-CB 3.47Å; A184-E202 HydrophobicContact CB-CB 4.25Å
185	G	93.2	Very high	96.3	Very high	44 Å²	44	51.2 Å²	51.2	45%	0.454	31%	0.31	S	S	.	.			trans	-57.2	130.5	-179.7	0	0	0	0	0	111.9
186	F	94.9	Very high	96.6	Very high	37 Å²	37	50.3 Å²	50.3	16%	0.162	29%	0.294	C	S	.	.			trans	-43.4	133.4	-174.4	179.4	-87.7	0	0	0	114	A184 G188 V190 A193 A197 N200 K232	A184-F186 PolarHBondContact O-N 3.39Å; F186-G188 WeakPolarHBondContact CE1-O 3.41Å; F186-V190 HydrophobicContact CE1-CG2 3.91Å; F186-V190 HydrophobicContact CZ-CB 4.47Å; F186-V190 HydrophobicContact CZ-CG2 3.85Å; F186-A193 HydrophobicContact CE2-CB 3.6Å; F186-A193 HydrophobicContact CZ-CB 3.82Å; F186-A197 HydrophobicContact CD2-CB 4.45Å; F186-A197 WeakPolarHBondContact CD2-O 3.11Å; F186-A197 HydrophobicContact CE2-CB 4.42Å; F186-N200 PolarHBondContact N-OD1 3.1Å; F186-K232 HydrophobicContact CB-CD 4.28Å; F186-K232 HydrophobicContact CD1-CD 4.14Å; F186-K232 HydrophobicContact CD2-CD 4.2Å; F186-K232 HydrophobicContact CG-CD 3.95Å
187	R	89.6	Confident	96.6	Very high	62 Å²	62	45.8 Å²	45.8	23%	0.234	27%	0.27	C	S	.	.			trans	-135.7	162.8	171.6	-57.6	-61.5	167.9	-167.2	2.3	109.6	L166	L166-R187 HydrophobicContact CD2-CB 4.48Å
188	G	92.5	Very high	96.6	Very high	19 Å²	19	44.6 Å²	44.6	20%	0.196	26%	0.262	C	S	.	.	S	Bend	trans	82.3	-168.6	-178.1	0	0	0	0	0	113.7	D141 F186	D141-G188 VanDerWaalsContact CG-CA 3.43Å; D141-G188 VanDerWaalsContact OD1-CA 3.24Å; D141-G188 WeakPolarHBondContact OD1-CA 3.38Å; F186-G188 WeakPolarHBondContact CE1-O 3.41Å
189	T	96	Very high	96.6	Very high	45 Å²	45	46.4 Å²	46.4	28%	0.276	27%	0.269	S	S	.	.			trans	-97.6	113.8	-166.2	-59.7	0	0	0	0	112.1	D141 K143 R191 Y192 A193	D141-T189 VanDerWaalsContact OD1-CB 3.23Å; D141-T189 WeakPolarHBondContact OD1-CB 3.47Å; D141-T189 PolarHBondContact OD1-N 3.21Å; D141-T189 PolarHBondContact OD1-OG1 3.38Å; K143-T189 HydrophobicContact CD-CG2 4.38Å; K143-T189 WeakPolarHBondContact CD-OG1 3.34Å; K143-T189 PolarHBondContact NZ-OG1 3.46Å; T189-R191 PolarHBondContact O-N 2.86Å; T189-Y192 HydrophobicContact CG2-CD2 3.92Å; T189-Y192 HydrophobicContact CG2-CE2 4.15Å; T189-Y192 PolarHBondContact O-N 3.09Å; T189-A193 PolarHBondContact O-N 3.19Å
190	V	97.9	Very high	96.6	Very high	36 Å²	36	43.3 Å²	43.3	22%	0.218	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.9	-42.6	-178.4	170.8	0	0	0	0	114.9	F186 H198 K232 V235 K239	F186-V190 HydrophobicContact CE1-CG2 3.91Å; F186-V190 HydrophobicContact CZ-CB 4.47Å; F186-V190 HydrophobicContact CZ-CG2 3.85Å; V190-H198 WeakPolarHBondContact CG1-CE1 3.48Å; V190-H198 PolarHBondContact O-NE2 3.04Å; V190-K232 HydrophobicContact CG2-CB 4.08Å; V190-K232 HydrophobicContact CG2-CG 4.35Å; V190-V235 HydrophobicContact CG1-CB 3.88Å; V190-V235 HydrophobicContact CG1-CG1 3.94Å; V190-V235 HydrophobicContact CG1-CG2 3.89Å; V190-K239 PolarHBondContact O-NZ 3.03Å
191	R	98.4	Very high	96.6	Very high	70 Å²	70	47 Å²	47	26%	0.264	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-43.4	-180	-176.1	176.8	-65.5	167.9	7.9	113.1	T189 E218 L224 W226 R227 K239	T189-R191 PolarHBondContact O-N 2.86Å; R191-E218 VanDerWaalsContact CD-OE1 3.26Å; R191-E218 WeakPolarHBondContact CD-OE1 3.2Å; R191-E218 IonicContact CZ-OE1 3.74Å; R191-E218 IonicContact NE-OE1 2.82Å; R191-E218 IonicContact NH1-OE1 3.81Å; R191-E218 PolarHBondContact NH1-OE1 2.72Å; R191-L224 HydrophobicContact CG-CD1 3.75Å; R191-W226 PolarHBondContact O-NE1 3.19Å; R191-R227 PolarHBondContact NH2-O 3.43Å; R191-K239 PolarHBondContact O-NZ 2.69Å
192	Y	98.6	Very high	96.7	Very high	19 Å²	19	44.6 Å²	44.6	8%	0.075	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-18.2	-173	-46.2	-76.6	0	0	0	113.2	K143 P144 T189 S211 Y214 M215 E218 L224	K143-Y192 HydrophobicContact CB-CD2 3.47Å; K143-Y192 VanDerWaalsContact CB-CD2 3.47Å; K143-Y192 HydrophobicContact CB-CE2 3.68Å; K143-Y192 HydrophobicContact CB-CG 4.28Å; P144-Y192 HydrophobicContact CG-CE1 4.25Å; T189-Y192 HydrophobicContact CG2-CD2 3.92Å; T189-Y192 HydrophobicContact CG2-CE2 4.15Å; T189-Y192 PolarHBondContact O-N 3.09Å; Y192-S211 WeakPolarHBondContact O-CA 3.34Å; Y192-S211 PolarHBondContact O-OG 3.49Å; Y192-S211 VanDerWaalsContact O-OG 3.11Å; Y192-Y214 VanDerWaalsContact O-CD2 3.25Å; Y192-Y214 WeakPolarHBondContact O-CD2 3.49Å; Y192-M215 HydrophobicContact CD1-CG 3.99Å; Y192-M215 HydrophobicContact CE1-CG 4.25Å; Y192-E218 PolarHBondContact OH-OE2 2.77Å; Y192-E218 VanDerWaalsContact OH-OE2 3.09Å; Y192-L224 HydrophobicContact CD1-CD1 4.21Å; Y192-L224 HydrophobicContact CE1-CD1 4.18Å
193	A	98.5	Very high	96.8	Very high	5 Å²	5	40 Å²	40	4%	0.041	21%	0.205	C	C	.	.			trans	-54	139.8	177.3	0	0	0	0	0	113.5	F186 T189 A197 K239	F186-A193 HydrophobicContact CE2-CB 3.6Å; F186-A193 HydrophobicContact CZ-CB 3.82Å; T189-A193 PolarHBondContact O-N 3.19Å; A193-A197 HydrophobicContact CB-CB 4.1Å; A193-K239 PolarHBondContact O-NZ 3.28Å
194	S	98.6	Very high	97	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.175	C	C	.	.			trans	-68.3	170.5	179.6	77.1	0	0	0	0	113.6	N196 A197 H198 D207	S194-N196 VanDerWaalsContact C-N 3.27Å; S194-N196 PolarHBondContact O-N 3.3Å; S194-N196 PolarHBondContact OG-N 3.17Å; S194-A197 PolarHBondContact O-N 3.34Å; S194-A197 PolarHBondContact OG-N 2.72Å; S194-H198 PolarHBondContact O-CD2 3.47Å; S194-H198 VanDerWaalsContact O-CD2 3.3Å; S194-H198 PolarHBondContact O-N 2.98Å; S194-H198 VanDerWaalsContact O-N 3.07Å; S194-D207 WeakPolarHBondContact CB-OD1 3.28Å; S194-D207 VanDerWaalsContact OG-CG 3.22Å; S194-D207 PolarHBondContact OG-OD1 3.2Å
195	I	98.5	Very high	97.1	Very high	31 Å²	31	35.9 Å²	35.9	16%	0.159	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-34.4	173.3	-62.4	166.2	0	0	0	111	H198 R199 K239 E240 H244	I195-H198 PolarHBondContact O-N 3.35Å; I195-R199 HydrophobicContact CG2-CG 4.36Å; I195-R199 WeakPolarHBondContact O-CB 3.32Å; I195-R199 VanDerWaalsContact O-CG 3.3Å; I195-R199 WeakPolarHBondContact O-CG 3.27Å; I195-R199 PolarHBondContact O-N 3.18Å; I195-K239 HydrophobicContact CD1-CB 4.39Å; I195-K239 HydrophobicContact CG1-CB 3.85Å; I195-E240 HydrophobicContact CG2-CB 4.46Å; I195-H244 VanDerWaalsContact CD1-NE2 3.29Å; I195-H244 WeakPolarHBondContact CD1-NE2 3.22Å
196	N	98.4	Very high	97.4	Very high	28 Å²	28	34 Å²	34	15%	0.15	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-42.9	177.6	-62.8	-52.3	0	0	0	112.2	S194 R199 N200 R201 D207	S194-N196 VanDerWaalsContact C-N 3.27Å; S194-N196 PolarHBondContact O-N 3.3Å; S194-N196 PolarHBondContact OG-N 3.17Å; N196-R199 CarbonylContact O-C 3.55Å; N196-R199 PolarHBondContact O-N 3.47Å; N196-N200 PolarHBondContact O-N 3.21Å; N196-R201 HydrophobicContact CB-CB 4.28Å; N196-R201 WeakPolarHBondContact O-CB 3.38Å; N196-R201 PolarHBondContact O-N 3.38Å; N196-R201 PolarHBondContact OD1-NH1 3.04Å; N196-D207 WeakPolarHBondContact CB-OD1 3.33Å; N196-D207 PolarHBondContact ND2-OD1 3.17Å
197	A	98.1	Very high	97.6	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-45	174.1	0	0	0	0	0	111.1	F186 A193 S194 R199 N200 M203	F186-A197 HydrophobicContact CD2-CB 4.45Å; F186-A197 WeakPolarHBondContact CD2-O 3.11Å; F186-A197 HydrophobicContact CE2-CB 4.42Å; A193-A197 HydrophobicContact CB-CB 4.1Å; S194-A197 PolarHBondContact O-N 3.34Å; S194-A197 PolarHBondContact OG-N 2.72Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.4Å; A197-N200 WeakPolarHBondContact O-CA 3.27Å; A197-N200 PolarHBondContact O-N 3.01Å; A197-M203 HydrophobicContact CB-CE 4.08Å; A197-M203 HydrophobicContact CB-CG 3.99Å; A197-M203 HydrophobicContact CB-SD 3.89Å
198	H	98.3	Very high	98	Very high	15 Å²	15	29.4 Å²	29.4	7%	0.069	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-38.1	174.3	-89.3	-75.8	0	0	0	113.2	V190 S194 I195 N200 K232 G236 K239	V190-H198 WeakPolarHBondContact CG1-CE1 3.48Å; V190-H198 PolarHBondContact O-NE2 3.04Å; S194-H198 PolarHBondContact O-CD2 3.47Å; S194-H198 VanDerWaalsContact O-CD2 3.3Å; S194-H198 PolarHBondContact O-N 2.98Å; S194-H198 VanDerWaalsContact O-N 3.07Å; I195-H198 PolarHBondContact O-N 3.35Å; H198-N200 PolarHBondContact O-N 2.52Å; H198-K232 WeakPolarHBondContact CE1-CA 3.47Å; H198-K232 WeakPolarHBondContact CE1-CG 3.32Å; H198-K232 PolarHBondContact CE1-O 3.14Å; H198-K232 PolarHBondContact ND1-O 3.16Å; H198-G236 VanDerWaalsContact CG-CA 3.42Å; H198-G236 WeakPolarHBondContact ND1-CA 3.25Å; H198-G236 PolarHBondContact ND1-N 3.36Å; H198-K239 PolarHBondContact NE2-NZ 3.27Å; H198-K239 VanDerWaalsContact NE2-NZ 3.1Å
199	R	97.5	Very high	98.3	Very high	113 Å²	113	28.5 Å²	28.5	43%	0.426	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	5.7	172.7	-70.3	171.5	174.9	165.9	-6.5	114.2	I195 N196 A197 R201 E240	I195-R199 HydrophobicContact CG2-CG 4.36Å; I195-R199 WeakPolarHBondContact O-CB 3.32Å; I195-R199 VanDerWaalsContact O-CG 3.3Å; I195-R199 WeakPolarHBondContact O-CG 3.27Å; I195-R199 PolarHBondContact O-N 3.18Å; N196-R199 CarbonylContact O-C 3.55Å; N196-R199 PolarHBondContact O-N 3.47Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.4Å; R199-R201 HydrophobicContact CB-CG 4.18Å; R199-R201 PolarHBondContact O-N 3.35Å; R199-E240 IonicContact CZ-OE1 2.63Å; R199-E240 IonicContact NE-OE1 2.66Å; R199-E240 PolarHBondContact NE-OE1 2.72Å; R199-E240 IonicContact NH2-OE1 2.74Å; R199-E240 PolarHBondContact NH2-OE1 2.73Å
200	N	97.8	Very high	98.5	Very high	51 Å²	51	27.2 Å²	27.2	27%	0.273	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.5	-175.2	-46.3	-72.7	0	0	0	113.9	V183 A184 F186 N196 A197 H198 K232	V183-N200 HydrophobicContact CG1-CB 4.14Å; A184-N200 PolarHBondContact N-O 2.77Å; A184-N200 CarbonylContact O-C 3.54Å; A184-N200 VanDerWaalsContact O-C 3.31Å; A184-N200 VanDerWaalsContact O-CA 3.31Å; A184-N200 WeakPolarHBondContact O-CA 3.4Å; A184-N200 WeakPolarHBondContact O-CB 3.47Å; F186-N200 PolarHBondContact N-OD1 3.1Å; N196-N200 PolarHBondContact O-N 3.21Å; A197-N200 WeakPolarHBondContact O-CA 3.27Å; A197-N200 PolarHBondContact O-N 3.01Å; H198-N200 PolarHBondContact O-N 2.52Å; N200-K232 PolarHBondContact OD1-NZ 2.81Å
201	R	97.9	Very high	98.5	Very high	129 Å²	129	25.7 Å²	25.7	49%	0.487	11%	0.109	S	C	.	.	P	Polyproline II helix	trans	-82.4	156	170.6	-64.5	176.4	172.4	-177.6	-9.2	110	N196 R199 M203	N196-R201 HydrophobicContact CB-CB 4.28Å; N196-R201 WeakPolarHBondContact O-CB 3.38Å; N196-R201 PolarHBondContact O-N 3.38Å; N196-R201 PolarHBondContact OD1-NH1 3.04Å; R199-R201 HydrophobicContact CB-CG 4.18Å; R199-R201 PolarHBondContact O-N 3.35Å; R201-M203 PolarHBondContact O-N 3.28Å
202	E	98.4	Very high	98.5	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.042	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-59.9	126.8	167.8	-171.5	76.4	-77.6	0	0	109.4	R168 P180 R181 A184 Y267	R168-E202 IonicContact CZ-OE2 2.77Å; R168-E202 VanDerWaalsContact CZ-OE2 3.25Å; R168-E202 IonicContact NE-OE1 3.8Å; R168-E202 PolarHBondContact NE-OE1 3.17Å; R168-E202 IonicContact NE-OE2 3.52Å; R168-E202 PolarHBondContact NE-OE2 2.86Å; R168-E202 IonicContact NH2-OE2 3.71Å; R168-E202 PolarHBondContact NH2-OE2 3.41Å; P180-E202 HydrophobicContact CB-CB 3.69Å; P180-E202 HydrophobicContact CB-CG 4.1Å; R181-E202 IonicContact CZ-OE1 2.74Å; R181-E202 IonicContact CZ-OE2 3.25Å; R181-E202 IonicContact NE-OE1 2.64Å; R181-E202 IonicContact NE-OE2 3.58Å; R181-E202 PolarHBondContact NE-OE2 2.63Å; R181-E202 IonicContact NH2-OE1 2.87Å; R181-E202 PolarHBondContact NH2-OE1 2.81Å; R181-E202 IonicContact NH2-OE2 2.7Å; R181-E202 PolarHBondContact NH2-OE2 3.43Å; A184-E202 HydrophobicContact CB-CB 4.25Å; E202-Y267 HydrophobicContact CB-CE2 4.25Å; E202-Y267 HydrophobicContact CG-CD2 4.35Å; E202-Y267 HydrophobicContact CG-CE2 3.61Å
203	M	98.6	Very high	98.5	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.049	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-77.8	140	-176.8	-62.8	170.1	67.1	0	0	110.4	L138 R140 A197 R201 D207 Y267	L138-M203 WeakPolarHBondContact CD1-O 3.29Å; R140-M203 HydrophobicContact CB-CE 3.71Å; R140-M203 HydrophobicContact CB-SD 3.96Å; R140-M203 HydrophobicContact CG-CB 4.44Å; R140-M203 HydrophobicContact CG-CE 4.02Å; R140-M203 HydrophobicContact CG-SD 4.09Å; A197-M203 HydrophobicContact CB-CE 4.08Å; A197-M203 HydrophobicContact CB-CG 3.99Å; A197-M203 HydrophobicContact CB-SD 3.89Å; R201-M203 PolarHBondContact O-N 3.28Å; M203-D207 VanDerWaalsContact CA-OD2 3.23Å; M203-D207 WeakPolarHBondContact CA-OD2 3.38Å; M203-D207 HydrophobicContact CB-CB 4.24Å; M203-D207 HydrophobicContact CE-CB 4.17Å; M203-Y267 VanDerWaalsContact O-CE2 3.26Å; M203-Y267 WeakPolarHBondContact O-CE2 3.09Å
204	G	98.6	Very high	98.6	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.021	9%	0.091	C	C	.	.			trans	-112.5	-174.9	175.3	0	0	0	0	0	113.3	H206 D207	G204-H206 VanDerWaalsContact C-N 3.31Å; G204-H206 WeakPolarHBondContact CA-CE1 3.5Å; G204-H206 WeakPolarHBondContact CA-NE2 3.43Å; G204-H206 PolarHBondContact N-NE2 3.35Å; G204-H206 VanDerWaalsContact N-NE2 3.15Å; G204-H206 PolarHBondContact O-CE1 3.44Å; G204-H206 PolarHBondContact O-N 2.42Å; G204-D207 PolarHBondContact N-OD2 3.28Å; G204-D207 WeakPolarHBondContact O-CB 3.3Å; G204-D207 PolarHBondContact O-N 2.89Å
205	R	98.9	Very high	98.6	Very high	26 Å²	26	21.1 Å²	21.1	10%	0.098	9%	0.091	C	C	.	.	H	α-helix	trans	-57.1	-41.1	179.6	-66.9	169.5	-71	-138.6	-8.7	113	H133 L138 F170 D207 D208 F268 T269 P271	H133-R205 HydrophobicContact CB-CG 4.29Å; H133-R205 PolarHBondContact CE1-O 3.32Å; L138-R205 HydrophobicContact CD2-CB 4.29Å; L138-R205 HydrophobicContact CD2-CG 3.71Å; F170-R205 HydrophobicContact CE1-CG 4.24Å; F170-R205 HydrophobicContact CE2-CG 4.28Å; F170-R205 HydrophobicContact CZ-CG 4.03Å; R205-D207 VanDerWaalsContact C-N 3.26Å; R205-D207 PolarHBondContact O-N 2.95Å; R205-D208 PolarHBondContact O-N 3.35Å; R205-F268 PolarHBondContact NH2-O 3.22Å; R205-T269 PolarHBondContact NE-O 3.06Å; R205-T269 PolarHBondContact NH2-O 2.83Å; R205-P271 HydrophobicContact CB-CG 3.66Å
206	H	98.8	Very high	98.6	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.023	8%	0.084	C	C	.	.	H	α-helix	trans	-57.8	-29	174.5	68	-43.9	0	0	0	114.6	G204 L209 W210 L265 D266 Y267	G204-H206 VanDerWaalsContact C-N 3.31Å; G204-H206 WeakPolarHBondContact CA-CE1 3.5Å; G204-H206 WeakPolarHBondContact CA-NE2 3.43Å; G204-H206 PolarHBondContact N-NE2 3.35Å; G204-H206 VanDerWaalsContact N-NE2 3.15Å; G204-H206 PolarHBondContact O-CE1 3.44Å; G204-H206 PolarHBondContact O-N 2.42Å; H206-L209 CarbonylContact O-C 3.57Å; H206-L209 WeakPolarHBondContact O-CB 3.43Å; H206-L209 PolarHBondContact O-N 1.86Å; H206-W210 VanDerWaalsContact O-CD1 3.26Å; H206-W210 PolarHBondContact O-N 2.76Å; H206-L265 HydrophobicContact CB-CB 3.7Å; H206-L265 HydrophobicContact CB-CD1 4Å; H206-L265 PolarHBondContact CD2-O 3.1Å; H206-D266 PolarHBondContact CE1-O 2.89Å; H206-D266 PolarHBondContact ND1-O 3.32Å; H206-Y267 WeakPolarHBondContact NE2-CA 3.37Å
207	D	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-75.2	-28.6	-177.1	-64.2	-57.7	0	0	0	113.1	S194 N196 M203 G204 R205 L209 S211	S194-D207 WeakPolarHBondContact CB-OD1 3.28Å; S194-D207 VanDerWaalsContact OG-CG 3.22Å; S194-D207 PolarHBondContact OG-OD1 3.2Å; N196-D207 WeakPolarHBondContact CB-OD1 3.33Å; N196-D207 PolarHBondContact ND2-OD1 3.17Å; M203-D207 VanDerWaalsContact CA-OD2 3.23Å; M203-D207 WeakPolarHBondContact CA-OD2 3.38Å; M203-D207 HydrophobicContact CB-CB 4.24Å; M203-D207 HydrophobicContact CE-CB 4.17Å; G204-D207 PolarHBondContact N-OD2 3.28Å; G204-D207 WeakPolarHBondContact O-CB 3.3Å; G204-D207 PolarHBondContact O-N 2.89Å; R205-D207 VanDerWaalsContact C-N 3.26Å; R205-D207 PolarHBondContact O-N 2.95Å; D207-L209 VanDerWaalsContact C-N 3.35Å; D207-S211 PolarHBondContact O-N 3.11Å; D207-S211 PolarHBondContact O-OG 3.27Å
208	D	98.9	Very high	98.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-68.7	-35.5	168	-78.6	-30.1	0	0	0	110.8	I129 H133 H139 R140 I142 R205 S211 L212	I129-D208 HydrophobicContact CG2-CB 4.32Å; H133-D208 IonicContact CD2-OD2 2.68Å; H133-D208 WeakPolarHBondContact CE1-CB 3.46Å; H133-D208 IonicContact CE1-OD2 3.69Å; H133-D208 WeakPolarHBondContact NE2-CB 3.03Å; H133-D208 IonicContact NE2-OD1 3.21Å; H133-D208 IonicContact NE2-OD2 3.52Å; H133-D208 PolarHBondContact NE2-OD2 2.84Å; H139-D208 PolarHBondContact N-OD2 3.18Å; R140-D208 VanDerWaalsContact CA-OD1 3.29Å; R140-D208 WeakPolarHBondContact CA-OD1 3.47Å; R140-D208 PolarHBondContact N-OD1 3.23Å; I142-D208 HydrophobicContact CG1-CB 3.93Å; I142-D208 WeakPolarHBondContact CG1-OD1 3.43Å; R205-D208 PolarHBondContact O-N 3.35Å; D208-S211 WeakPolarHBondContact O-CB 3.42Å; D208-S211 PolarHBondContact O-N 3.45Å; D208-L212 PolarHBondContact O-N 3.11Å
209	L	98.9	Very high	98.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-73.4	-34.6	176.7	-63.3	170.1	0	0	0	112.8	L126 I129 H206 D207 S211 L212 F213 I262 P271 Y273 L276	L126-L209 HydrophobicContact CD1-CD2 3.56Å; I129-L209 HydrophobicContact CG2-CD2 3.9Å; I129-L209 HydrophobicContact CG2-CG 4.46Å; H206-L209 CarbonylContact O-C 3.57Å; H206-L209 WeakPolarHBondContact O-CB 3.43Å; H206-L209 PolarHBondContact O-N 1.86Å; D207-L209 VanDerWaalsContact C-N 3.35Å; L209-S211 VanDerWaalsContact C-N 3.27Å; L209-S211 PolarHBondContact O-N 3.26Å; L209-L212 HydrophobicContact CD2-CD2 4.46Å; L209-L212 WeakPolarHBondContact O-CB 3.27Å; L209-L212 PolarHBondContact O-N 2.9Å; L209-F213 PolarHBondContact O-N 3.33Å; L209-I262 HydrophobicContact CB-CG2 4.05Å; L209-P271 HydrophobicContact CD1-CB 3.5Å; L209-P271 HydrophobicContact CD1-CG 3.59Å; L209-Y273 HydrophobicContact CD1-CE1 4.26Å; L209-L276 HydrophobicContact CD1-CD1 3.8Å; L209-L276 HydrophobicContact CD2-CD1 4.08Å; L209-L276 HydrophobicContact CG-CD1 4.46Å
210	W	98.9	Very high	98.7	Very high	19 Å²	19	13.8 Å²	13.8	7%	0.072	6%	0.062	C	C	.	.	H	α-helix	trans	-58.6	-40.6	166.6	-88.8	104.2	0	0	0	111.9	H206 F213 Y214 H244 L259 I262 S263	H206-W210 VanDerWaalsContact O-CD1 3.26Å; H206-W210 PolarHBondContact O-N 2.76Å; W210-F213 HydrophobicContact CE3-CD1 4.5Å; W210-F213 HydrophobicContact CZ3-CD1 4.37Å; W210-F213 PolarHBondContact O-N 3.33Å; W210-Y214 HydrophobicContact CB-CE2 4.41Å; W210-Y214 HydrophobicContact CE3-CE1 4.17Å; W210-Y214 HydrophobicContact CE3-CE2 4.05Å; W210-Y214 AromaticContact CE3-CZ 3.65Å; W210-Y214 HydrophobicContact CZ3-CE1 4.3Å; W210-Y214 WeakPolarHBondContact O-CD2 3.48Å; W210-Y214 PolarHBondContact O-N 2.84Å; W210-Y214 VanDerWaalsContact O-N 3.09Å; W210-H244 AromaticContact CZ3-CD2 3.88Å; W210-L259 HydrophobicContact CH2-CD1 3.63Å; W210-L259 HydrophobicContact CZ3-CD1 3.9Å; W210-I262 HydrophobicContact CD2-CD1 3.66Å; W210-I262 HydrophobicContact CD2-CG1 4.21Å; W210-I262 HydrophobicContact CE3-CD1 3.81Å; W210-I262 HydrophobicContact CG-CD1 4.09Å; W210-I262 HydrophobicContact CH2-CD1 4.34Å; W210-I262 HydrophobicContact CH2-CG1 4.4Å; W210-I262 HydrophobicContact CZ2-CD1 4.2Å; W210-I262 HydrophobicContact CZ2-CG1 3.97Å; W210-I262 HydrophobicContact CZ3-CD1 4.15Å; W210-I262 PolarHBondContact NE1-O 3.34Å; W210-S263 WeakPolarHBondContact CZ2-OG 3.47Å
211	S	98.9	Very high	98.7	Very high	3 Å²	3	14 Å²	14	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-65.9	-40.3	176.3	-56.7	0	0	0	0	111.7	Y192 D207 D208 L209 Y214 M215	Y192-S211 WeakPolarHBondContact O-CA 3.34Å; Y192-S211 PolarHBondContact O-OG 3.49Å; Y192-S211 VanDerWaalsContact O-OG 3.11Å; D207-S211 PolarHBondContact O-N 3.11Å; D207-S211 PolarHBondContact O-OG 3.27Å; D208-S211 WeakPolarHBondContact O-CB 3.42Å; D208-S211 PolarHBondContact O-N 3.45Å; L209-S211 VanDerWaalsContact C-N 3.27Å; L209-S211 PolarHBondContact O-N 3.26Å; S211-Y214 PolarHBondContact O-N 2.83Å; S211-M215 WeakPolarHBondContact O-CG 3.49Å; S211-M215 PolarHBondContact O-N 3.01Å
212	L	98.9	Very high	98.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.3	-49.5	170.5	170.5	57.3	0	0	0	111.8	I125 L126 I129 D208 L209 Y214 M215 L216 F258	I125-L212 HydrophobicContact CB-CD1 4.09Å; I125-L212 HydrophobicContact CG2-CD1 3.73Å; I125-L212 HydrophobicContact CG2-CD2 4.44Å; L126-L212 HydrophobicContact CB-CD2 4.13Å; L126-L212 HydrophobicContact CD1-CD2 4.28Å; I129-L212 HydrophobicContact CD1-CB 4.05Å; I129-L212 HydrophobicContact CD1-CD2 4.15Å; D208-L212 PolarHBondContact O-N 3.11Å; L209-L212 HydrophobicContact CD2-CD2 4.46Å; L209-L212 WeakPolarHBondContact O-CB 3.27Å; L209-L212 PolarHBondContact O-N 2.9Å; L212-Y214 VanDerWaalsContact C-N 3.33Å; L212-Y214 PolarHBondContact O-N 3.33Å; L212-M215 WeakPolarHBondContact O-CA 3.35Å; L212-M215 WeakPolarHBondContact O-CB 3.38Å; L212-M215 PolarHBondContact O-N 3.21Å; L212-L216 HydrophobicContact CD1-CD1 3.87Å; L212-L216 HydrophobicContact CD1-CD2 4.12Å; L212-L216 HydrophobicContact CD1-CG 3.87Å; L212-L216 HydrophobicContact CG-CD1 4.06Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 WeakPolarHBondContact O-CG 3.16Å; L212-L216 PolarHBondContact O-N 3.38Å; L212-F258 HydrophobicContact CD2-CZ 4.09Å; L212-F258 HydrophobicContact CG-CZ 4.34Å
213	F	98.9	Very high	98.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-54.1	-48.1	177.7	179.8	-99.5	0	0	0	111.9	L209 W210 M215 L216 V217 M247 L248 L251 F258 L259 I262	L209-F213 PolarHBondContact O-N 3.33Å; W210-F213 HydrophobicContact CE3-CD1 4.5Å; W210-F213 HydrophobicContact CZ3-CD1 4.37Å; W210-F213 PolarHBondContact O-N 3.33Å; F213-M215 VanDerWaalsContact C-N 3.31Å; F213-M215 PolarHBondContact O-N 2.89Å; F213-L216 PolarHBondContact O-N 2.71Å; F213-V217 HydrophobicContact CD1-CG2 4.46Å; F213-V217 HydrophobicContact CE1-CG2 4.11Å; F213-V217 HydrophobicContact CZ-CG2 4.2Å; F213-V217 WeakPolarHBondContact O-CG2 3.5Å; F213-V217 PolarHBondContact O-N 2.77Å; F213-V217 VanDerWaalsContact O-N 3.11Å; F213-M247 HydrophobicContact CE1-CB 4.25Å; F213-M247 HydrophobicContact CE1-SD 3.97Å; F213-M247 HydrophobicContact CZ-CB 4.16Å; F213-L248 HydrophobicContact CE2-CD2 3.93Å; F213-L248 HydrophobicContact CZ-CD2 3.96Å; F213-L251 HydrophobicContact CE2-CD1 4.2Å; F213-F258 HydrophobicContact CB-CD1 4.48Å; F213-F258 HydrophobicContact CB-CE1 4.07Å; F213-F258 AromaticContact CD2-CD1 3.95Å; F213-F258 HydrophobicContact CD2-CD1 3.95Å; F213-F258 HydrophobicContact CD2-CE1 4.34Å; F213-L259 HydrophobicContact CD1-CD1 4.47Å; F213-L259 HydrophobicContact CE1-CD1 3.98Å; F213-L259 HydrophobicContact CE2-CB 4.07Å; F213-L259 HydrophobicContact CE2-CD1 4.34Å; F213-L259 HydrophobicContact CZ-CB 4.25Å; F213-L259 HydrophobicContact CZ-CD1 3.91Å; F213-L259 HydrophobicContact CZ-CD2 4.24Å; F213-L259 HydrophobicContact CZ-CG 4.36Å; F213-I262 HydrophobicContact CB-CD1 3.82Å; F213-I262 HydrophobicContact CG-CD1 4.12Å
214	Y	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.9	-30.5	175.9	-61.4	-46.5	0	0	0	113.7	Y192 W210 S211 L212 E218 L224 W226 H244 M247	Y192-Y214 VanDerWaalsContact O-CD2 3.25Å; Y192-Y214 WeakPolarHBondContact O-CD2 3.49Å; W210-Y214 HydrophobicContact CB-CE2 4.41Å; W210-Y214 HydrophobicContact CE3-CE1 4.17Å; W210-Y214 HydrophobicContact CE3-CE2 4.05Å; W210-Y214 AromaticContact CE3-CZ 3.65Å; W210-Y214 HydrophobicContact CZ3-CE1 4.3Å; W210-Y214 WeakPolarHBondContact O-CD2 3.48Å; W210-Y214 PolarHBondContact O-N 2.84Å; W210-Y214 VanDerWaalsContact O-N 3.09Å; S211-Y214 PolarHBondContact O-N 2.83Å; L212-Y214 VanDerWaalsContact C-N 3.33Å; L212-Y214 PolarHBondContact O-N 3.33Å; Y214-E218 PolarHBondContact O-N 3.04Å; Y214-L224 HydrophobicContact CD1-CD2 4.25Å; Y214-W226 AromaticContact CD1-CH2 3.87Å; Y214-W226 HydrophobicContact CD1-CH2 3.87Å; Y214-W226 AromaticContact CD1-CZ2 3.72Å; Y214-W226 HydrophobicContact CD1-CZ2 3.72Å; Y214-W226 AromaticContact CE1-CH2 3.54Å; Y214-W226 HydrophobicContact CE1-CH2 3.54Å; Y214-W226 AromaticContact CE1-CZ2 3.76Å; Y214-W226 HydrophobicContact CE1-CZ2 3.76Å; Y214-W226 HydrophobicContact CG-CZ2 4.16Å; Y214-H244 AromaticContact CE1-CD2 3.72Å; Y214-M247 HydrophobicContact CD1-SD 4.19Å; Y214-M247 HydrophobicContact CE1-SD 4.37Å
215	M	98.8	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.1	-45.7	172.7	-74.8	176.8	44.7	0	0	111.7	I125 I142 K143 P144 F147 Y192 S211 L212 F213 V217 E218 F219	I125-M215 HydrophobicContact CD1-CE 3.81Å; I142-M215 HydrophobicContact CG2-SD 3.69Å; K143-M215 VanDerWaalsContact C-SD 3.54Å; K143-M215 WeakPolarHBondContact CA-SD 3.42Å; P144-M215 HydrophobicContact CB-CE 4.33Å; P144-M215 HydrophobicContact CG-CB 4.47Å; P144-M215 HydrophobicContact CG-CE 4.01Å; P144-M215 HydrophobicContact CG-CG 3.82Å; P144-M215 HydrophobicContact CG-SD 4.2Å; F147-M215 HydrophobicContact CD2-CE 3.85Å; F147-M215 HydrophobicContact CE2-CE 4.22Å; F147-M215 HydrophobicContact CE2-SD 4.46Å; Y192-M215 HydrophobicContact CD1-CG 3.99Å; Y192-M215 HydrophobicContact CE1-CG 4.25Å; S211-M215 WeakPolarHBondContact O-CG 3.49Å; S211-M215 PolarHBondContact O-N 3.01Å; L212-M215 WeakPolarHBondContact O-CA 3.35Å; L212-M215 WeakPolarHBondContact O-CB 3.38Å; L212-M215 PolarHBondContact O-N 3.21Å; F213-M215 VanDerWaalsContact C-N 3.31Å; F213-M215 PolarHBondContact O-N 2.89Å; M215-V217 PolarHBondContact O-N 3.22Å; M215-E218 CarbonylContact O-C 3.3Å; M215-E218 PolarHBondContact O-N 2.91Å; M215-E218 VanDerWaalsContact O-N 3.12Å; M215-F219 HydrophobicContact CB-CZ 4.49Å; M215-F219 HydrophobicContact CE-CE2 4.43Å; M215-F219 HydrophobicContact CE-CZ 3.87Å; M215-F219 WeakPolarHBondContact O-CD1 3.25Å; M215-F219 VanDerWaalsContact O-CG 3.23Å; M215-F219 WeakPolarHBondContact O-CG 3.44Å; M215-F219 PolarHBondContact O-N 3.14Å
216	L	98.9	Very high	98.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-64.6	-40.5	-179	-59.9	168	0	0	0	111.6	T118 L212 F213 F219 V220 F255 F280	T118-L216 HydrophobicContact CG2-CB 4.29Å; T118-L216 HydrophobicContact CG2-CD2 3.75Å; L212-L216 HydrophobicContact CD1-CD1 3.87Å; L212-L216 HydrophobicContact CD1-CD2 4.12Å; L212-L216 HydrophobicContact CD1-CG 3.87Å; L212-L216 HydrophobicContact CG-CD1 4.06Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 WeakPolarHBondContact O-CG 3.16Å; L212-L216 PolarHBondContact O-N 3.38Å; F213-L216 PolarHBondContact O-N 2.71Å; L216-F219 HydrophobicContact CD2-CD2 4.44Å; L216-F219 WeakPolarHBondContact O-CB 3.24Å; L216-F219 PolarHBondContact O-N 2.95Å; L216-F219 VanDerWaalsContact O-N 3.13Å; L216-V220 PolarHBondContact O-N 2.8Å; L216-V220 VanDerWaalsContact O-N 3.07Å; L216-F255 HydrophobicContact CD1-CE1 3.8Å; L216-F280 HydrophobicContact CD1-CE1 3.91Å; L216-F280 HydrophobicContact CD1-CZ 3.67Å; L216-F280 HydrophobicContact CD2-CE1 4.4Å
217	V	98.8	Very high	98.4	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.024	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-44.5	171.2	177.6	0	0	0	0	110.8	F213 M215 F219 V221 L224 M247 L251	F213-V217 HydrophobicContact CD1-CG2 4.46Å; F213-V217 HydrophobicContact CE1-CG2 4.11Å; F213-V217 HydrophobicContact CZ-CG2 4.2Å; F213-V217 WeakPolarHBondContact O-CG2 3.5Å; F213-V217 PolarHBondContact O-N 2.77Å; F213-V217 VanDerWaalsContact O-N 3.11Å; M215-V217 PolarHBondContact O-N 3.22Å; V217-F219 PolarHBondContact O-N 3.14Å; V217-V221 HydrophobicContact CG1-CG2 4.21Å; V217-V221 VanDerWaalsContact O-CB 3.25Å; V217-V221 WeakPolarHBondContact O-CB 3.26Å; V217-V221 WeakPolarHBondContact O-CG2 3.26Å; V217-V221 PolarHBondContact O-N 2.99Å; V217-L224 HydrophobicContact CB-CD2 4.04Å; V217-L224 HydrophobicContact CG1-CD2 3.83Å; V217-M247 HydrophobicContact CB-SD 4.34Å; V217-M247 HydrophobicContact CG1-CB 4.11Å; V217-M247 HydrophobicContact CG1-CG 4.34Å; V217-M247 HydrophobicContact CG1-SD 3.94Å; V217-M247 HydrophobicContact CG2-CB 3.78Å; V217-M247 HydrophobicContact CG2-CG 4.46Å; V217-M247 HydrophobicContact CG2-SD 3.98Å; V217-L251 HydrophobicContact CG2-CD1 3.93Å
218	E	98.6	Very high	98.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-68.6	-20.2	175.7	-146.2	-162.1	-141.8	0	0	113.4	R105 R191 Y192 Y214 M215 G222 L224	R105-E218 WeakPolarHBondContact CD-O 3.47Å; R105-E218 IonicContact CZ-OE2 3.55Å; R105-E218 PolarHBondContact NE-O 3.01Å; R105-E218 IonicContact NE-OE2 2.71Å; R105-E218 IonicContact NH2-OE1 3.35Å; R105-E218 PolarHBondContact NH2-OE1 2.84Å; R105-E218 IonicContact NH2-OE2 2.66Å; R105-E218 PolarHBondContact NH2-OE2 2.77Å; R191-E218 VanDerWaalsContact CD-OE1 3.26Å; R191-E218 WeakPolarHBondContact CD-OE1 3.2Å; R191-E218 IonicContact CZ-OE1 3.74Å; R191-E218 IonicContact NE-OE1 2.82Å; R191-E218 IonicContact NH1-OE1 3.81Å; R191-E218 PolarHBondContact NH1-OE1 2.72Å; Y192-E218 PolarHBondContact OH-OE2 2.77Å; Y192-E218 VanDerWaalsContact OH-OE2 3.09Å; Y214-E218 PolarHBondContact O-N 3.04Å; M215-E218 CarbonylContact O-C 3.3Å; M215-E218 PolarHBondContact O-N 2.91Å; M215-E218 VanDerWaalsContact O-N 3.12Å; E218-G222 CarbonylContact O-C 3.51Å; E218-G222 WeakPolarHBondContact O-CA 3.12Å; E218-G222 PolarHBondContact O-N 3.38Å; E218-G222 VanDerWaalsContact O-N 3.1Å; E218-L224 HydrophobicContact CB-CD1 4.25Å; E218-L224 HydrophobicContact CB-CG 4.1Å; E218-L224 HydrophobicContact CG-CD1 4.41Å; E218-L224 HydrophobicContact CG-CG 4.18Å
219	F	98.8	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-76.4	-50.1	176.3	-72.8	2.1	0	0	0	111.5	L101 T112 F113 T118 L121 I125 P144 M215 L216 V217	L101-F219 HydrophobicContact CB-CZ 4.03Å; L101-F219 HydrophobicContact CD1-CE2 4.06Å; L101-F219 HydrophobicContact CD1-CZ 3.82Å; T112-F219 CarbonylContact C-O 3.45Å; T112-F219 WeakPolarHBondContact CA-O 3.28Å; F113-F219 HydrophobicContact CD2-CB 3.95Å; F113-F219 HydrophobicContact CD2-CD1 4.14Å; F113-F219 AromaticContact CD2-CD2 3.88Å; F113-F219 HydrophobicContact CD2-CD2 3.88Å; F113-F219 HydrophobicContact CD2-CE2 4.4Å; F113-F219 AromaticContact CD2-CG 3.73Å; F113-F219 HydrophobicContact CD2-CG 3.73Å; F113-F219 HydrophobicContact CE2-CD1 4.22Å; F113-F219 HydrophobicContact CE2-CD2 4.23Å; F113-F219 HydrophobicContact CE2-CE1 4.28Å; F113-F219 HydrophobicContact CE2-CE2 4.31Å; F113-F219 HydrophobicContact CE2-CG 4.19Å; F113-F219 HydrophobicContact CE2-CZ 4.32Å; F113-F219 PolarHBondContact N-O 2.97Å; T118-F219 HydrophobicContact CG2-CB 3.81Å; T118-F219 HydrophobicContact CG2-CD2 4.21Å; L121-F219 HydrophobicContact CD1-CE2 4.19Å; I125-F219 HydrophobicContact CD1-CE2 4.43Å; P144-F219 HydrophobicContact CB-CE1 3.74Å; P144-F219 HydrophobicContact CB-CZ 4Å; P144-F219 HydrophobicContact CG-CE1 3.61Å; P144-F219 HydrophobicContact CG-CZ 4.1Å; M215-F219 HydrophobicContact CB-CZ 4.49Å; M215-F219 HydrophobicContact CE-CE2 4.43Å; M215-F219 HydrophobicContact CE-CZ 3.87Å; M215-F219 WeakPolarHBondContact O-CD1 3.25Å; M215-F219 VanDerWaalsContact O-CG 3.23Å; M215-F219 WeakPolarHBondContact O-CG 3.44Å; M215-F219 PolarHBondContact O-N 3.14Å; L216-F219 HydrophobicContact CD2-CD2 4.44Å; L216-F219 WeakPolarHBondContact O-CB 3.24Å; L216-F219 PolarHBondContact O-N 2.95Å; L216-F219 VanDerWaalsContact O-N 3.13Å; V217-F219 PolarHBondContact O-N 3.14Å
220	V	98.3	Very high	98	Very high	28 Å²	28	39.9 Å²	39.9	17%	0.17	19%	0.191	C	C	.	.	H	α-helix	trans	-77.5	-44.8	179.4	-169.1	0	0	0	0	112.3	T112 I115 T118 L216 H250 L251	T112-V220 VanDerWaalsContact CG2-O 3.24Å; T112-V220 WeakPolarHBondContact CG2-O 3.42Å; I115-V220 HydrophobicContact CD1-CB 4.49Å; I115-V220 HydrophobicContact CD1-CG1 3.73Å; I115-V220 HydrophobicContact CD1-CG2 3.85Å; T118-V220 HydrophobicContact CG2-CG2 3.77Å; L216-V220 PolarHBondContact O-N 2.8Å; L216-V220 VanDerWaalsContact O-N 3.07Å; V220-H250 HydrophobicContact CG1-CB 4.46Å; V220-H250 WeakPolarHBondContact CG1-O 3.37Å; V220-L251 HydrophobicContact CG2-CD2 3.84Å
221	V	98	Very high	97.9	Very high	55 Å²	55	42.6 Å²	42.6	33%	0.333	21%	0.207	S	C	.	.	S	Bend	trans	-87.3	-13	-175.2	-170.4	0	0	0	0	112	V217 Q223 H250	V217-V221 HydrophobicContact CG1-CG2 4.21Å; V217-V221 VanDerWaalsContact O-CB 3.25Å; V217-V221 WeakPolarHBondContact O-CB 3.26Å; V217-V221 WeakPolarHBondContact O-CG2 3.26Å; V217-V221 PolarHBondContact O-N 2.99Å; V221-Q223 PolarHBondContact O-N 3.16Å; V221-H250 HydrophobicContact CG2-CB 4.15Å
222	G	97.3	Very high	97.7	Very high	11 Å²	11	43.5 Å²	43.5	11%	0.113	21%	0.211	C	C	.	.	S	Bend	trans	75.8	-13.5	178.9	0	0	0	0	0	114.8	R105 G111 E218	R105-G222 PolarHBondContact NH1-O 2.98Å; R105-G222 PolarHBondContact NH2-O 3.06Å; G111-G222 WeakPolarHBondContact O-CA 3.45Å; E218-G222 CarbonylContact O-C 3.51Å; E218-G222 WeakPolarHBondContact O-CA 3.12Å; E218-G222 PolarHBondContact O-N 3.38Å; E218-G222 VanDerWaalsContact O-N 3.1Å
223	Q	97.5	Very high	97.6	Very high	102 Å²	102	48.1 Å²	48.1	48%	0.477	23%	0.233	S	C	.	.	S	Bend	trans	-155	150.3	180	58.9	178.6	3.4	0	0	112.5	V221 R227	V221-Q223 PolarHBondContact O-N 3.16Å; Q223-R227 HydrophobicContact CB-CB 4.29Å; Q223-R227 HydrophobicContact CB-CG 4.42Å
224	L	98.4	Very high	97.6	Very high	3 Å²	3	53 Å²	53	2%	0.016	26%	0.255	C	S	.	.			trans	-95.6	155.9	166.3	-70.8	160.5	0	0	0	110.4	R191 Y192 Y214 V217 E218 W226 R227 M247	R191-L224 HydrophobicContact CG-CD1 3.75Å; Y192-L224 HydrophobicContact CD1-CD1 4.21Å; Y192-L224 HydrophobicContact CE1-CD1 4.18Å; Y214-L224 HydrophobicContact CD1-CD2 4.25Å; V217-L224 HydrophobicContact CB-CD2 4.04Å; V217-L224 HydrophobicContact CG1-CD2 3.83Å; E218-L224 HydrophobicContact CB-CD1 4.25Å; E218-L224 HydrophobicContact CB-CG 4.1Å; E218-L224 HydrophobicContact CG-CD1 4.41Å; E218-L224 HydrophobicContact CG-CG 4.18Å; L224-W226 HydrophobicContact CB-CD2 4.36Å; L224-W226 HydrophobicContact CB-CZ2 4.19Å; L224-W226 HydrophobicContact CD1-CZ2 4.19Å; L224-W226 HydrophobicContact CD2-CH2 4.48Å; L224-W226 HydrophobicContact CD2-CZ2 3.96Å; L224-W226 HydrophobicContact CG-CZ2 4.35Å; L224-W226 PolarHBondContact O-N 2.9Å; L224-W226 VanDerWaalsContact O-N 3.15Å; L224-R227 WeakPolarHBondContact O-CB 3.49Å; L224-R227 PolarHBondContact O-N 3.16Å; L224-M247 HydrophobicContact CD2-CE 4.22Å; L224-M247 HydrophobicContact CD2-SD 4.3Å
225	P	98.1	Very high	97.6	Very high	71 Å²	71	53 Å²	53	46%	0.461	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39	-177.1	-26.1	33.8	0	0	0	113.6	R227 Y242 M247	P225-R227 VanDerWaalsContact C-N 3.34Å; P225-R227 PolarHBondContact O-N 3.23Å; P225-Y242 HydrophobicContact CB-CD2 4.49Å; P225-Y242 HydrophobicContact CB-CE2 4.07Å; P225-Y242 HydrophobicContact CG-CD2 4.29Å; P225-Y242 HydrophobicContact CG-CE1 4.27Å; P225-Y242 HydrophobicContact CG-CE2 3.65Å; P225-M247 HydrophobicContact CG-CE 3.87Å
226	W	98.4	Very high	97.5	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.011	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9.3	179	50	84.9	0	0	0	114.7	R191 Y214 L224 K228 I229 V235 I238 K239 M247	R191-W226 PolarHBondContact O-NE1 3.19Å; Y214-W226 AromaticContact CD1-CH2 3.87Å; Y214-W226 HydrophobicContact CD1-CH2 3.87Å; Y214-W226 AromaticContact CD1-CZ2 3.72Å; Y214-W226 HydrophobicContact CD1-CZ2 3.72Å; Y214-W226 AromaticContact CE1-CH2 3.54Å; Y214-W226 HydrophobicContact CE1-CH2 3.54Å; Y214-W226 AromaticContact CE1-CZ2 3.76Å; Y214-W226 HydrophobicContact CE1-CZ2 3.76Å; Y214-W226 HydrophobicContact CG-CZ2 4.16Å; L224-W226 HydrophobicContact CB-CD2 4.36Å; L224-W226 HydrophobicContact CB-CZ2 4.19Å; L224-W226 HydrophobicContact CD1-CZ2 4.19Å; L224-W226 HydrophobicContact CD2-CH2 4.48Å; L224-W226 HydrophobicContact CD2-CZ2 3.96Å; L224-W226 HydrophobicContact CG-CZ2 4.35Å; L224-W226 PolarHBondContact O-N 2.9Å; L224-W226 VanDerWaalsContact O-N 3.15Å; W226-K228 PolarHBondContact O-N 2.92Å; W226-I229 PolarHBondContact O-N 3.2Å; W226-V235 HydrophobicContact CB-CG1 4.18Å; W226-V235 HydrophobicContact CB-CG2 4.19Å; W226-V235 HydrophobicContact CG-CG1 3.93Å; W226-I238 HydrophobicContact CE3-CG2 4.11Å; W226-K239 HydrophobicContact CD2-CG 4.11Å; W226-K239 HydrophobicContact CE3-CG 3.87Å; W226-K239 HydrophobicContact CH2-CD 4.39Å; W226-K239 HydrophobicContact CH2-CG 3.66Å; W226-K239 HydrophobicContact CZ2-CD 4.22Å; W226-K239 HydrophobicContact CZ2-CG 3.95Å; W226-K239 HydrophobicContact CZ3-CG 3.63Å; W226-M247 HydrophobicContact CH2-CE 3.33Å; W226-M247 HydrophobicContact CZ2-CE 4.26Å; W226-M247 HydrophobicContact CZ3-CE 3.6Å
227	R	96.1	Very high	97.5	Very high	108 Å²	108	55.2 Å²	55.2	41%	0.408	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-39.4	-174.3	162.7	178.9	162.7	81.7	0.3	115.1	R191 Q223 L224 P225	R191-R227 PolarHBondContact NH2-O 3.43Å; Q223-R227 HydrophobicContact CB-CB 4.29Å; Q223-R227 HydrophobicContact CB-CG 4.42Å; L224-R227 WeakPolarHBondContact O-CB 3.49Å; L224-R227 PolarHBondContact O-N 3.16Å; P225-R227 VanDerWaalsContact C-N 3.34Å; P225-R227 PolarHBondContact O-N 3.23Å
228	K	96.4	Very high	97.5	Very high	185 Å²	185	57 Å²	57	80%	0.804	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-11	-173.4	-65.1	-179.8	-179.6	176	0	113.7	W226	W226-K228 PolarHBondContact O-N 2.92Å
229	I	97.1	Very high	97.5	Very high	50 Å²	50	56.9 Å²	56.9	26%	0.256	28%	0.28	S	S	.	.			trans	-91.3	134.7	-173.6	-55.3	176	0	0	0	108.9	W226 D231 Q234 V235 I238	W226-I229 PolarHBondContact O-N 3.2Å; I229-D231 HydrophobicContact CG2-CB 4.46Å; I229-Q234 HydrophobicContact CG2-CB 4.17Å; I229-Q234 HydrophobicContact CG2-CG 4.15Å; I229-V235 HydrophobicContact CB-CG2 3.83Å; I229-V235 HydrophobicContact CG2-CG2 3.68Å; I229-I238 HydrophobicContact CD1-CD1 3.25Å
230	K	93.2	Very high	97.5	Very high	193 Å²	193	61.2 Å²	61.2	84%	0.839	30%	0.3	S	S	*	.			trans	-104.7	-30.1	179.7	-66.5	-175.8	179.3	-179.6	0	113.3	K232	K230-K232 PolarHBondContact O-N 2.64Å
231	D	97	Very high	97.5	Very high	76 Å²	76	68.1 Å²	68.1	41%	0.406	32%	0.323	S	S	.	.			trans	-63.9	123	-180	-175	-93.5	0	0	0	110.3	I229 E233 Q234 V235	I229-D231 HydrophobicContact CG2-CB 4.46Å; D231-E233 PolarHBondContact OD1-N 2.85Å; D231-Q234 HydrophobicContact CB-CB 3.93Å; D231-Q234 WeakPolarHBondContact OD1-CB 3.23Å; D231-Q234 PolarHBondContact OD1-N 3.34Å; D231-V235 VanDerWaalsContact O-CG2 3.24Å; D231-V235 WeakPolarHBondContact O-CG2 3.37Å; D231-V235 PolarHBondContact O-N 2.94Å; D231-V235 VanDerWaalsContact O-N 3.08Å
232	K	95.8	Very high	97.5	Very high	21 Å²	21	68.4 Å²	68.4	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-52.1	-172.5	165.3	-161.5	159.9	-138.6	0	109.9	F186 V190 H198 N200 K230 Q234 V235 G236	F186-K232 HydrophobicContact CB-CD 4.28Å; F186-K232 HydrophobicContact CD1-CD 4.14Å; F186-K232 HydrophobicContact CD2-CD 4.2Å; F186-K232 HydrophobicContact CG-CD 3.95Å; V190-K232 HydrophobicContact CG2-CB 4.08Å; V190-K232 HydrophobicContact CG2-CG 4.35Å; H198-K232 WeakPolarHBondContact CE1-CA 3.47Å; H198-K232 WeakPolarHBondContact CE1-CG 3.32Å; H198-K232 PolarHBondContact CE1-O 3.14Å; H198-K232 PolarHBondContact ND1-O 3.16Å; N200-K232 PolarHBondContact OD1-NZ 2.81Å; K230-K232 PolarHBondContact O-N 2.64Å; K232-Q234 VanDerWaalsContact C-N 3.34Å; K232-Q234 PolarHBondContact O-N 3.37Å; K232-V235 WeakPolarHBondContact O-CB 3.45Å; K232-V235 PolarHBondContact O-N 3.08Å; K232-V235 VanDerWaalsContact O-N 3.09Å; K232-G236 PolarHBondContact O-N 2.86Å
233	E	97	Very high	97.5	Very high	98 Å²	98	71.8 Å²	71.8	46%	0.458	34%	0.335	S	S	.	.	H	α-helix	trans	-59.8	-42.2	-177.7	-77.5	55.1	-137.3	0	0	111.4	D231 G236 S237	D231-E233 PolarHBondContact OD1-N 2.85Å; E233-G236 PolarHBondContact O-N 3.37Å; E233-S237 WeakPolarHBondContact O-CB 3.42Å; E233-S237 PolarHBondContact O-N 3.4Å
234	Q	98.1	Very high	97.6	Very high	101 Å²	101	68.3 Å²	68.3	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-41.8	173.3	-168.7	179.1	34.6	0	0	112.1	I229 D231 K232 S237 I238	I229-Q234 HydrophobicContact CG2-CB 4.17Å; I229-Q234 HydrophobicContact CG2-CG 4.15Å; D231-Q234 HydrophobicContact CB-CB 3.93Å; D231-Q234 WeakPolarHBondContact OD1-CB 3.23Å; D231-Q234 PolarHBondContact OD1-N 3.34Å; K232-Q234 VanDerWaalsContact C-N 3.34Å; K232-Q234 PolarHBondContact O-N 3.37Å; Q234-S237 PolarHBondContact O-N 2.89Å; Q234-I238 HydrophobicContact CG-CD1 4.02Å; Q234-I238 WeakPolarHBondContact O-CB 3.33Å; Q234-I238 VanDerWaalsContact O-CG1 3.25Å; Q234-I238 WeakPolarHBondContact O-CG1 3.35Å; Q234-I238 PolarHBondContact O-N 2.71Å
235	V	98.6	Very high	97.5	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-44.8	175.7	170.9	0	0	0	0	111.2	V190 W226 I229 D231 K232 I238 K239	V190-V235 HydrophobicContact CG1-CB 3.88Å; V190-V235 HydrophobicContact CG1-CG1 3.94Å; V190-V235 HydrophobicContact CG1-CG2 3.89Å; W226-V235 HydrophobicContact CB-CG1 4.18Å; W226-V235 HydrophobicContact CB-CG2 4.19Å; W226-V235 HydrophobicContact CG-CG1 3.93Å; I229-V235 HydrophobicContact CB-CG2 3.83Å; I229-V235 HydrophobicContact CG2-CG2 3.68Å; D231-V235 VanDerWaalsContact O-CG2 3.24Å; D231-V235 WeakPolarHBondContact O-CG2 3.37Å; D231-V235 PolarHBondContact O-N 2.94Å; D231-V235 VanDerWaalsContact O-N 3.08Å; K232-V235 WeakPolarHBondContact O-CB 3.45Å; K232-V235 PolarHBondContact O-N 3.08Å; K232-V235 VanDerWaalsContact O-N 3.09Å; V235-I238 PolarHBondContact O-N 3.48Å; V235-K239 HydrophobicContact CG1-CD 4.15Å; V235-K239 WeakPolarHBondContact O-CG 3.37Å; V235-K239 PolarHBondContact O-N 2.94Å
236	G	98.3	Very high	97.5	Very high	7 Å²	7	75.6 Å²	75.6	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-46.6	176.2	0	0	0	0	0	112.2	H198 K232 E233 I238 K239 E240	H198-G236 VanDerWaalsContact CG-CA 3.42Å; H198-G236 WeakPolarHBondContact ND1-CA 3.25Å; H198-G236 PolarHBondContact ND1-N 3.36Å; K232-G236 PolarHBondContact O-N 2.86Å; E233-G236 PolarHBondContact O-N 3.37Å; G236-I238 VanDerWaalsContact C-N 3.3Å; G236-I238 PolarHBondContact O-N 2.77Å; G236-K239 WeakPolarHBondContact O-CB 3.29Å; G236-K239 PolarHBondContact O-N 3Å; G236-E240 WeakPolarHBondContact O-CB 3.47Å; G236-E240 PolarHBondContact O-N 3.05Å
237	S	98.4	Very high	97.5	Very high	40 Å²	40	75.9 Å²	75.9	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-28.1	179.1	-160.5	0	0	0	0	113.1	E233 Q234 R241	E233-S237 WeakPolarHBondContact O-CB 3.42Å; E233-S237 PolarHBondContact O-N 3.4Å; Q234-S237 PolarHBondContact O-N 2.89Å; S237-R241 PolarHBondContact O-N 2.8Å; S237-R241 PolarHBondContact O-NH1 3.03Å; S237-R241 VanDerWaalsContact O-NH1 3.14Å; S237-R241 PolarHBondContact O-NH2 3.45Å; S237-R241 PolarHBondContact OG-NH1 3.19Å
238	I	98.6	Very high	97.6	Very high	42 Å²	42	72 Å²	72	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-71.7	-48.9	170	-73.9	166.2	0	0	0	110.5	W226 I229 Q234 V235 G236 E240 R241 Y242	W226-I238 HydrophobicContact CE3-CG2 4.11Å; I229-I238 HydrophobicContact CD1-CD1 3.25Å; Q234-I238 HydrophobicContact CG-CD1 4.02Å; Q234-I238 WeakPolarHBondContact O-CB 3.33Å; Q234-I238 VanDerWaalsContact O-CG1 3.25Å; Q234-I238 WeakPolarHBondContact O-CG1 3.35Å; Q234-I238 PolarHBondContact O-N 2.71Å; V235-I238 PolarHBondContact O-N 3.48Å; G236-I238 VanDerWaalsContact C-N 3.3Å; G236-I238 PolarHBondContact O-N 2.77Å; I238-E240 VanDerWaalsContact C-N 3.27Å; I238-E240 PolarHBondContact O-N 3.35Å; I238-R241 PolarHBondContact O-N 3.17Å; I238-R241 VanDerWaalsContact O-N 3.11Å; I238-Y242 WeakPolarHBondContact O-CB 3.48Å; I238-Y242 PolarHBondContact O-N 3Å
239	K	98.6	Very high	97.6	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-54.3	-44.8	176	-74.4	169	170	179.9	0	111.6	V190 R191 A193 I195 H198 W226 V235 G236 R241 Y242 H244	V190-K239 PolarHBondContact O-NZ 3.03Å; R191-K239 PolarHBondContact O-NZ 2.69Å; A193-K239 PolarHBondContact O-NZ 3.28Å; I195-K239 HydrophobicContact CD1-CB 4.39Å; I195-K239 HydrophobicContact CG1-CB 3.85Å; H198-K239 PolarHBondContact NE2-NZ 3.27Å; H198-K239 VanDerWaalsContact NE2-NZ 3.1Å; W226-K239 HydrophobicContact CD2-CG 4.11Å; W226-K239 HydrophobicContact CE3-CG 3.87Å; W226-K239 HydrophobicContact CH2-CD 4.39Å; W226-K239 HydrophobicContact CH2-CG 3.66Å; W226-K239 HydrophobicContact CZ2-CD 4.22Å; W226-K239 HydrophobicContact CZ2-CG 3.95Å; W226-K239 HydrophobicContact CZ3-CG 3.63Å; V235-K239 HydrophobicContact CG1-CD 4.15Å; V235-K239 WeakPolarHBondContact O-CG 3.37Å; V235-K239 PolarHBondContact O-N 2.94Å; G236-K239 WeakPolarHBondContact O-CB 3.29Å; G236-K239 PolarHBondContact O-N 3Å; K239-R241 VanDerWaalsContact C-N 3.25Å; K239-R241 PolarHBondContact O-N 3.26Å; K239-Y242 PolarHBondContact O-N 2.92Å; K239-Y242 VanDerWaalsContact O-N 3.16Å; K239-H244 VanDerWaalsContact C-NE2 3.27Å; K239-H244 PolarHBondContact O-NE2 2.33Å
240	E	98.2	Very high	97.4	Very high	90 Å²	90	74.1 Å²	74.1	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-25.1	179.8	-175.2	170	-122.5	0	0	114.4	I195 R199 G236 I238	I195-E240 HydrophobicContact CG2-CB 4.46Å; R199-E240 IonicContact CZ-OE1 2.63Å; R199-E240 IonicContact NE-OE1 2.66Å; R199-E240 PolarHBondContact NE-OE1 2.72Å; R199-E240 IonicContact NH2-OE1 2.74Å; R199-E240 PolarHBondContact NH2-OE1 2.73Å; G236-E240 WeakPolarHBondContact O-CB 3.47Å; G236-E240 PolarHBondContact O-N 3.05Å; I238-E240 VanDerWaalsContact C-N 3.27Å; I238-E240 PolarHBondContact O-N 3.35Å
241	R	98.2	Very high	97.6	Very high	173 Å²	173	65.8 Å²	65.8	65%	0.653	31%	0.306	S	S	*	.	H	α-helix	trans	-103	-3.1	174.9	-72.4	-170.2	-62.1	-76.3	-7.4	114.3	S237 I238 K239	S237-R241 PolarHBondContact O-N 2.8Å; S237-R241 PolarHBondContact O-NH1 3.03Å; S237-R241 VanDerWaalsContact O-NH1 3.14Å; S237-R241 PolarHBondContact O-NH2 3.45Å; S237-R241 PolarHBondContact OG-NH1 3.19Å; I238-R241 PolarHBondContact O-N 3.17Å; I238-R241 VanDerWaalsContact O-N 3.11Å; K239-R241 VanDerWaalsContact C-N 3.25Å; K239-R241 PolarHBondContact O-N 3.26Å
242	Y	98.3	Very high	97.7	Very high	62 Å²	62	62.3 Å²	62.3	24%	0.243	29%	0.287	C	S	.	.	S	Bend	trans	-87.2	125.8	-173.6	-168.7	-92.4	0	0	0	110.4	P225 I238 K239 H244 L246 M247	P225-Y242 HydrophobicContact CB-CD2 4.49Å; P225-Y242 HydrophobicContact CB-CE2 4.07Å; P225-Y242 HydrophobicContact CG-CD2 4.29Å; P225-Y242 HydrophobicContact CG-CE1 4.27Å; P225-Y242 HydrophobicContact CG-CE2 3.65Å; I238-Y242 WeakPolarHBondContact O-CB 3.48Å; I238-Y242 PolarHBondContact O-N 3Å; K239-Y242 PolarHBondContact O-N 2.92Å; K239-Y242 VanDerWaalsContact O-N 3.16Å; Y242-H244 PolarHBondContact O-CE1 3.42Å; Y242-H244 PolarHBondContact O-N 3.27Å; Y242-H244 VanDerWaalsContact O-N 3.07Å; Y242-H244 PolarHBondContact O-ND1 2.79Å; Y242-H244 PolarHBondContact O-NE2 2.65Å; Y242-L246 HydrophobicContact CE1-CB 4.21Å; Y242-M247 HydrophobicContact CD1-CE 3.71Å; Y242-M247 HydrophobicContact CE1-CE 3.41Å; Y242-M247 VanDerWaalsContact CE1-CE 3.41Å; Y242-M247 HydrophobicContact CE1-CG 3.68Å; Y242-M247 HydrophobicContact CE1-SD 4.38Å
243	D	97.9	Very high	97.7	Very high	82 Å²	82	66.5 Å²	66.5	44%	0.439	32%	0.317	S	S	.	.			trans	-69.1	105.2	167.5	173.4	21.1	0	0	0	109.5	R245 L246	D243-R245 PolarHBondContact O-N 3.05Å; D243-R245 VanDerWaalsContact OD1-CB 3.28Å; D243-R245 WeakPolarHBondContact OD1-CB 3.46Å; D243-R245 WeakPolarHBondContact OD1-CG 3.34Å; D243-R245 PolarHBondContact OD1-N 3.09Å; D243-L246 HydrophobicContact CB-CD1 4.11Å; D243-L246 HydrophobicContact CB-CG 4.04Å; D243-L246 VanDerWaalsContact O-CB 3.29Å; D243-L246 WeakPolarHBondContact O-CB 3.47Å; D243-L246 WeakPolarHBondContact O-CG 3.39Å; D243-L246 PolarHBondContact O-N 3.37Å; D243-L246 VanDerWaalsContact O-N 3.16Å
244	H	98.2	Very high	97.7	Very high	29 Å²	29	63.8 Å²	63.8	13%	0.134	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-66	-19.7	-179.7	-69.6	88.7	0	0	0	113.1	I195 W210 Y214 K239 Y242 L246 M247 L259	I195-H244 VanDerWaalsContact CD1-NE2 3.29Å; I195-H244 WeakPolarHBondContact CD1-NE2 3.22Å; W210-H244 AromaticContact CZ3-CD2 3.88Å; Y214-H244 AromaticContact CE1-CD2 3.72Å; K239-H244 VanDerWaalsContact C-NE2 3.27Å; K239-H244 PolarHBondContact O-NE2 2.33Å; Y242-H244 PolarHBondContact O-CE1 3.42Å; Y242-H244 PolarHBondContact O-N 3.27Å; Y242-H244 VanDerWaalsContact O-N 3.07Å; Y242-H244 PolarHBondContact O-ND1 2.79Å; Y242-H244 PolarHBondContact O-NE2 2.65Å; H244-L246 PolarHBondContact O-N 2.9Å; H244-M247 VanDerWaalsContact O-CB 3.29Å; H244-M247 WeakPolarHBondContact O-CB 3.35Å; H244-M247 WeakPolarHBondContact O-CG 3.4Å; H244-M247 PolarHBondContact O-N 3.04Å; H244-L259 HydrophobicContact CB-CD1 3.76Å; H244-L259 HydrophobicContact CB-CD2 3.77Å; H244-L259 HydrophobicContact CB-CG 4.39Å
245	R	97.9	Very high	97.7	Very high	124 Å²	124	59.1 Å²	59.1	47%	0.468	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-64.6	-25.9	175.2	-55.8	-176.8	76.9	81.9	-4	111.4	D243 M247 L248 L259 D260	D243-R245 PolarHBondContact O-N 3.05Å; D243-R245 VanDerWaalsContact OD1-CB 3.28Å; D243-R245 WeakPolarHBondContact OD1-CB 3.46Å; D243-R245 WeakPolarHBondContact OD1-CG 3.34Å; D243-R245 PolarHBondContact OD1-N 3.09Å; R245-M247 PolarHBondContact O-N 3.16Å; R245-L248 HydrophobicContact CB-CD1 4.38Å; R245-L248 VanDerWaalsContact O-CB 3.31Å; R245-L248 WeakPolarHBondContact O-CB 3.16Å; R245-L248 WeakPolarHBondContact O-CG 3.43Å; R245-L248 PolarHBondContact O-N 3.07Å; R245-L259 HydrophobicContact CG-CD2 4.09Å; R245-D260 IonicContact CZ-OD1 3.7Å; R245-D260 IonicContact CZ-OD2 3.6Å; R245-D260 IonicContact NH1-OD1 3.69Å; R245-D260 PolarHBondContact NH1-OD1 2.77Å; R245-D260 IonicContact NH1-OD2 3.22Å; R245-D260 PolarHBondContact NH1-OD2 2.95Å; R245-D260 IonicContact NH2-OD2 2.81Å
246	L	97.9	Very high	97.7	Very high	103 Å²	103	60.7 Å²	60.7	54%	0.539	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-60.9	-24.5	170.9	-58.9	176.6	0	0	0	113.3	Y242 D243 H244 L248	Y242-L246 HydrophobicContact CE1-CB 4.21Å; D243-L246 HydrophobicContact CB-CD1 4.11Å; D243-L246 HydrophobicContact CB-CG 4.04Å; D243-L246 VanDerWaalsContact O-CB 3.29Å; D243-L246 WeakPolarHBondContact O-CB 3.47Å; D243-L246 WeakPolarHBondContact O-CG 3.39Å; D243-L246 PolarHBondContact O-N 3.37Å; D243-L246 VanDerWaalsContact O-N 3.16Å; H244-L246 PolarHBondContact O-N 2.9Å; L246-L248 VanDerWaalsContact C-N 3.3Å
247	M	98.1	Very high	97.7	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.039	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-73.5	-23.3	176.1	-55	-157.7	165	0	0	112.8	F213 Y214 V217 L224 P225 W226 Y242 H244 R245 K249	F213-M247 HydrophobicContact CE1-CB 4.25Å; F213-M247 HydrophobicContact CE1-SD 3.97Å; F213-M247 HydrophobicContact CZ-CB 4.16Å; Y214-M247 HydrophobicContact CD1-SD 4.19Å; Y214-M247 HydrophobicContact CE1-SD 4.37Å; V217-M247 HydrophobicContact CB-SD 4.34Å; V217-M247 HydrophobicContact CG1-CB 4.11Å; V217-M247 HydrophobicContact CG1-CG 4.34Å; V217-M247 HydrophobicContact CG1-SD 3.94Å; V217-M247 HydrophobicContact CG2-CB 3.78Å; V217-M247 HydrophobicContact CG2-CG 4.46Å; V217-M247 HydrophobicContact CG2-SD 3.98Å; L224-M247 HydrophobicContact CD2-CE 4.22Å; L224-M247 HydrophobicContact CD2-SD 4.3Å; P225-M247 HydrophobicContact CG-CE 3.87Å; W226-M247 HydrophobicContact CH2-CE 3.33Å; W226-M247 HydrophobicContact CZ2-CE 4.26Å; W226-M247 HydrophobicContact CZ3-CE 3.6Å; Y242-M247 HydrophobicContact CD1-CE 3.71Å; Y242-M247 HydrophobicContact CE1-CE 3.41Å; Y242-M247 VanDerWaalsContact CE1-CE 3.41Å; Y242-M247 HydrophobicContact CE1-CG 3.68Å; Y242-M247 HydrophobicContact CE1-SD 4.38Å; H244-M247 VanDerWaalsContact O-CB 3.29Å; H244-M247 WeakPolarHBondContact O-CB 3.35Å; H244-M247 WeakPolarHBondContact O-CG 3.4Å; H244-M247 PolarHBondContact O-N 3.04Å; R245-M247 PolarHBondContact O-N 3.16Å; M247-K249 PolarHBondContact O-N 3.37Å
248	L	97.5	Very high	97.8	Very high	28 Å²	28	62 Å²	62	15%	0.147	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-71.4	-17.6	-177.7	-55	178.3	0	0	0	112.9	F213 R245 L246 H250 L251 F255 L259	F213-L248 HydrophobicContact CE2-CD2 3.93Å; F213-L248 HydrophobicContact CZ-CD2 3.96Å; R245-L248 HydrophobicContact CB-CD1 4.38Å; R245-L248 VanDerWaalsContact O-CB 3.31Å; R245-L248 WeakPolarHBondContact O-CB 3.16Å; R245-L248 WeakPolarHBondContact O-CG 3.43Å; R245-L248 PolarHBondContact O-N 3.07Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L248-H250 PolarHBondContact O-N 3.01Å; L248-L251 HydrophobicContact CD2-CD1 4.28Å; L248-L251 PolarHBondContact O-N 3.46Å; L248-F255 HydrophobicContact CD2-CB 3.83Å; L248-F255 WeakPolarHBondContact CD2-O 3.49Å; L248-L259 HydrophobicContact CD1-CD2 4.02Å; L248-L259 HydrophobicContact CD2-CB 4.31Å; L248-L259 HydrophobicContact CD2-CD2 4.23Å; L248-L259 HydrophobicContact CG-CD2 4.17Å
249	K	96.3	Very high	97.8	Very high	169 Å²	169	60.1 Å²	60.1	74%	0.735	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-51.2	-25.5	-175.7	-178.9	174.7	177.2	175.8	0	115.1	M247	M247-K249 PolarHBondContact O-N 3.37Å
250	H	94.2	Very high	97.8	Very high	109 Å²	109	63.5 Å²	63.5	51%	0.505	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-122.7	8.5	-179.6	-61.6	-59.4	0	0	0	113.5	V220 V221 L248	V220-H250 HydrophobicContact CG1-CB 4.46Å; V220-H250 WeakPolarHBondContact CG1-O 3.37Å; V221-H250 HydrophobicContact CG2-CB 4.15Å; L248-H250 PolarHBondContact O-N 3.01Å
251	L	97.3	Very high	97.8	Very high	18 Å²	18	60.6 Å²	60.6	9%	0.094	29%	0.29	C	S	.	.	S	Bend	trans	-98.4	162.6	170.8	-67	175	0	0	0	109.9	F213 V217 V220 L248 F255	F213-L251 HydrophobicContact CE2-CD1 4.2Å; V217-L251 HydrophobicContact CG2-CD1 3.93Å; V220-L251 HydrophobicContact CG2-CD2 3.84Å; L248-L251 HydrophobicContact CD2-CD1 4.28Å; L248-L251 PolarHBondContact O-N 3.46Å; L251-F255 HydrophobicContact CB-CB 3.97Å; L251-F255 HydrophobicContact CB-CD2 4.21Å; L251-F255 HydrophobicContact CB-CG 4.06Å; L251-F255 HydrophobicContact CD1-CB 3.98Å; L251-F255 HydrophobicContact CD1-CD1 4.09Å; L251-F255 HydrophobicContact CD1-CG 4.04Å
252	P	97.8	Very high	97.8	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.026	26%	0.258	C	S	.	.			trans	-55.3	147.3	167.4	-27.7	37.5	0	0	0	112	I115 L119 E254 F255 S283 F287	I115-P252 HydrophobicContact CG2-CG 4.16Å; L119-P252 HydrophobicContact CD1-CG 4.4Å; L119-P252 HydrophobicContact CD2-CG 4.24Å; P252-E254 PolarHBondContact O-N 2.84Å; P252-E254 VanDerWaalsContact O-N 3.1Å; P252-F255 HydrophobicContact CB-CD2 3.99Å; P252-F255 HydrophobicContact CB-CE2 4.25Å; P252-F255 HydrophobicContact CG-CD2 4.16Å; P252-F255 HydrophobicContact CG-CE2 4.08Å; P252-F255 WeakPolarHBondContact O-CB 3.28Å; P252-F255 PolarHBondContact O-N 3.02Å; P252-S283 VanDerWaalsContact CB-OG 3.28Å; P252-S283 WeakPolarHBondContact CB-OG 3.49Å; P252-F287 HydrophobicContact CB-CD2 4.49Å; P252-F287 HydrophobicContact CB-CE2 3.75Å; P252-F287 HydrophobicContact CB-CZ 4.36Å; P252-F287 HydrophobicContact CG-CD2 4.34Å; P252-F287 HydrophobicContact CG-CE2 3.79Å; P252-F287 HydrophobicContact CG-CZ 4.16Å
253	P	96.9	Very high	97.8	Very high	108 Å²	108	52.6 Å²	52.6	70%	0.701	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.8	-173	-28	35.9	0	0	0	114.8	F255 S256	P253-F255 PolarHBondContact O-N 2.89Å; P253-F255 VanDerWaalsContact O-N 3.17Å; P253-S256 WeakPolarHBondContact O-CB 3.29Å; P253-S256 PolarHBondContact O-N 2.81Å; P253-S256 VanDerWaalsContact O-N 3.11Å; P253-S256 PolarHBondContact O-OG 3.09Å
254	E	96.9	Very high	97.9	Very high	42 Å²	42	52.9 Å²	52.9	20%	0.196	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.3	-179.7	-65.4	-179.1	-94	0	0	113.9	P252 S256 I257 F258 V279 N282 S283	P252-E254 PolarHBondContact O-N 2.84Å; P252-E254 VanDerWaalsContact O-N 3.1Å; E254-S256 PolarHBondContact O-N 3.11Å; E254-S256 VanDerWaalsContact O-N 3.14Å; E254-I257 VanDerWaalsContact O-CB 3.31Å; E254-I257 WeakPolarHBondContact O-CB 3.29Å; E254-I257 PolarHBondContact O-N 2.66Å; E254-F258 PolarHBondContact O-N 3.4Å; E254-V279 HydrophobicContact CB-CB 4.47Å; E254-V279 HydrophobicContact CB-CG1 3.87Å; E254-V279 HydrophobicContact CB-CG2 4.39Å; E254-V279 WeakPolarHBondContact O-CG1 3.45Å; E254-N282 VanDerWaalsContact CD-CB 3.44Å; E254-N282 WeakPolarHBondContact OE1-CB 3.41Å; E254-N282 WeakPolarHBondContact OE2-CB 3.23Å; E254-N282 PolarHBondContact OE2-ND2 3.27Å; E254-S283 PolarHBondContact OE1-N 3.48Å
255	F	98.3	Very high	97.9	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-10.5	171.2	-79.4	-94.4	0	0	0	113.6	L119 L216 L248 L251 P252 P253 F258 L259 V279 F280	L119-F255 HydrophobicContact CD2-CE2 3.62Å; L119-F255 HydrophobicContact CD2-CZ 3.75Å; L216-F255 HydrophobicContact CD1-CE1 3.8Å; L248-F255 HydrophobicContact CD2-CB 3.83Å; L248-F255 WeakPolarHBondContact CD2-O 3.49Å; L251-F255 HydrophobicContact CB-CB 3.97Å; L251-F255 HydrophobicContact CB-CD2 4.21Å; L251-F255 HydrophobicContact CB-CG 4.06Å; L251-F255 HydrophobicContact CD1-CB 3.98Å; L251-F255 HydrophobicContact CD1-CD1 4.09Å; L251-F255 HydrophobicContact CD1-CG 4.04Å; P252-F255 HydrophobicContact CB-CD2 3.99Å; P252-F255 HydrophobicContact CB-CE2 4.25Å; P252-F255 HydrophobicContact CG-CD2 4.16Å; P252-F255 HydrophobicContact CG-CE2 4.08Å; P252-F255 WeakPolarHBondContact O-CB 3.28Å; P252-F255 PolarHBondContact O-N 3.02Å; P253-F255 PolarHBondContact O-N 2.89Å; P253-F255 VanDerWaalsContact O-N 3.17Å; F255-F258 HydrophobicContact CD1-CB 4.05Å; F255-F258 HydrophobicContact CD1-CD2 4.2Å; F255-F258 HydrophobicContact CD1-CG 4.16Å; F255-F258 HydrophobicContact CE1-CD2 4Å; F255-F258 HydrophobicContact CE1-CG 4.41Å; F255-F258 PolarHBondContact O-N 2.72Å; F255-L259 WeakPolarHBondContact O-CB 3.39Å; F255-L259 PolarHBondContact O-N 3.24Å; F255-V279 HydrophobicContact CD1-CG1 4.47Å; F255-V279 HydrophobicContact CD2-CG1 3.98Å; F255-V279 HydrophobicContact CE1-CG1 4.43Å; F255-V279 HydrophobicContact CE2-CG1 3.94Å; F255-V279 HydrophobicContact CG-CG1 4.25Å; F255-V279 HydrophobicContact CZ-CG1 4.17Å; F255-F280 HydrophobicContact CE1-CE1 4.06Å; F255-F280 HydrophobicContact CE1-CZ 4.32Å; F255-F280 AromaticContact CZ-CD1 3.89Å; F255-F280 HydrophobicContact CZ-CD1 3.89Å; F255-F280 AromaticContact CZ-CE1 3.64Å; F255-F280 HydrophobicContact CZ-CE1 3.64Å; F255-F280 HydrophobicContact CZ-CZ 4.31Å
256	S	98.4	Very high	97.9	Very high	34 Å²	34	49.8 Å²	49.8	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-48.1	161.7	53	0	0	0	0	111.8	P253 E254 F258 L259 D260	P253-S256 WeakPolarHBondContact O-CB 3.29Å; P253-S256 PolarHBondContact O-N 2.81Å; P253-S256 VanDerWaalsContact O-N 3.11Å; P253-S256 PolarHBondContact O-OG 3.09Å; E254-S256 PolarHBondContact O-N 3.11Å; E254-S256 VanDerWaalsContact O-N 3.14Å; S256-F258 VanDerWaalsContact C-N 3.34Å; S256-F258 PolarHBondContact O-N 3.34Å; S256-L259 PolarHBondContact O-N 3.29Å; S256-D260 WeakPolarHBondContact O-CB 3.4Å; S256-D260 VanDerWaalsContact O-CG 3.25Å; S256-D260 PolarHBondContact O-N 3.37Å
257	I	98.7	Very high	98	Very high	74 Å²	74	45.9 Å²	45.9	38%	0.379	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-42.8	177.1	-53	171.9	0	0	0	110.2	E254 H261 L275 V279	E254-I257 VanDerWaalsContact O-CB 3.31Å; E254-I257 WeakPolarHBondContact O-CB 3.29Å; E254-I257 PolarHBondContact O-N 2.66Å; I257-H261 VanDerWaalsContact O-CB 3.23Å; I257-H261 WeakPolarHBondContact O-CB 3.23Å; I257-H261 PolarHBondContact O-N 3.45Å; I257-L275 HydrophobicContact CG2-CD1 3.86Å; I257-L275 HydrophobicContact CG2-CD2 4.3Å; I257-L275 HydrophobicContact CG2-CG 4.19Å; I257-V279 HydrophobicContact CB-CG2 4.01Å; I257-V279 HydrophobicContact CG2-CG2 4.21Å
258	F	98.8	Very high	98	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-51.9	174.7	-164.8	-63.8	0	0	0	111.3	L212 F213 E254 F255 S256 I262 L276 V279 F280	L212-F258 HydrophobicContact CD2-CZ 4.09Å; L212-F258 HydrophobicContact CG-CZ 4.34Å; F213-F258 HydrophobicContact CB-CD1 4.48Å; F213-F258 HydrophobicContact CB-CE1 4.07Å; F213-F258 AromaticContact CD2-CD1 3.95Å; F213-F258 HydrophobicContact CD2-CD1 3.95Å; F213-F258 HydrophobicContact CD2-CE1 4.34Å; E254-F258 PolarHBondContact O-N 3.4Å; F255-F258 HydrophobicContact CD1-CB 4.05Å; F255-F258 HydrophobicContact CD1-CD2 4.2Å; F255-F258 HydrophobicContact CD1-CG 4.16Å; F255-F258 HydrophobicContact CE1-CD2 4Å; F255-F258 HydrophobicContact CE1-CG 4.41Å; F255-F258 PolarHBondContact O-N 2.72Å; S256-F258 VanDerWaalsContact C-N 3.34Å; S256-F258 PolarHBondContact O-N 3.34Å; F258-I262 HydrophobicContact CD1-CD1 4.16Å; F258-I262 HydrophobicContact CD1-CG2 4.18Å; F258-I262 HydrophobicContact CE1-CD1 4.09Å; F258-I262 HydrophobicContact CE1-CG2 3.98Å; F258-I262 WeakPolarHBondContact O-CG1 3.14Å; F258-I262 PolarHBondContact O-N 3.35Å; F258-I262 VanDerWaalsContact O-N 3.12Å; F258-L276 HydrophobicContact CB-CD2 4.15Å; F258-L276 HydrophobicContact CD1-CD2 4.04Å; F258-L276 HydrophobicContact CD2-CB 4.39Å; F258-L276 HydrophobicContact CD2-CD2 3.58Å; F258-L276 HydrophobicContact CD2-CG 4.49Å; F258-L276 HydrophobicContact CE1-CD2 4.28Å; F258-L276 HydrophobicContact CE2-CB 4.14Å; F258-L276 HydrophobicContact CE2-CD1 4.39Å; F258-L276 HydrophobicContact CE2-CD2 3.85Å; F258-L276 HydrophobicContact CE2-CG 4.35Å; F258-L276 HydrophobicContact CG-CD2 3.65Å; F258-L276 HydrophobicContact CZ-CD1 4.25Å; F258-L276 HydrophobicContact CZ-CD2 4.19Å; F258-V279 HydrophobicContact CB-CG1 4.27Å; F258-V279 HydrophobicContact CD2-CG1 4.46Å; F258-F280 HydrophobicContact CD2-CE2 4.47Å; F258-F280 AromaticContact CE2-CE2 3.8Å; F258-F280 HydrophobicContact CE2-CE2 3.8Å; F258-F280 HydrophobicContact CE2-CZ 4.04Å
259	L	98.8	Very high	98	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-46.1	-177.1	176.3	61.3	0	0	0	112.1	W210 F213 H244 R245 L248 F255 S256 H261 I262 S263	W210-L259 HydrophobicContact CH2-CD1 3.63Å; W210-L259 HydrophobicContact CZ3-CD1 3.9Å; F213-L259 HydrophobicContact CD1-CD1 4.47Å; F213-L259 HydrophobicContact CE1-CD1 3.98Å; F213-L259 HydrophobicContact CE2-CB 4.07Å; F213-L259 HydrophobicContact CE2-CD1 4.34Å; F213-L259 HydrophobicContact CZ-CB 4.25Å; F213-L259 HydrophobicContact CZ-CD1 3.91Å; F213-L259 HydrophobicContact CZ-CD2 4.24Å; F213-L259 HydrophobicContact CZ-CG 4.36Å; H244-L259 HydrophobicContact CB-CD1 3.76Å; H244-L259 HydrophobicContact CB-CD2 3.77Å; H244-L259 HydrophobicContact CB-CG 4.39Å; R245-L259 HydrophobicContact CG-CD2 4.09Å; L248-L259 HydrophobicContact CD1-CD2 4.02Å; L248-L259 HydrophobicContact CD2-CB 4.31Å; L248-L259 HydrophobicContact CD2-CD2 4.23Å; L248-L259 HydrophobicContact CG-CD2 4.17Å; F255-L259 WeakPolarHBondContact O-CB 3.39Å; F255-L259 PolarHBondContact O-N 3.24Å; S256-L259 PolarHBondContact O-N 3.29Å; L259-H261 VanDerWaalsContact C-N 3.34Å; L259-I262 WeakPolarHBondContact O-CG1 3.49Å; L259-I262 PolarHBondContact O-N 2.89Å; L259-S263 VanDerWaalsContact O-CB 3.27Å; L259-S263 WeakPolarHBondContact O-CB 3.44Å; L259-S263 PolarHBondContact O-N 2.97Å; L259-S263 PolarHBondContact O-OG 3.15Å
260	D	98.8	Very high	98.2	Very high	72 Å²	72	51 Å²	51	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-68.8	-36.2	-175.8	-67.6	-24.2	0	0	0	110.6	R245 S256 S263 S264	R245-D260 IonicContact CZ-OD1 3.7Å; R245-D260 IonicContact CZ-OD2 3.6Å; R245-D260 IonicContact NH1-OD1 3.69Å; R245-D260 PolarHBondContact NH1-OD1 2.77Å; R245-D260 IonicContact NH1-OD2 3.22Å; R245-D260 PolarHBondContact NH1-OD2 2.95Å; R245-D260 IonicContact NH2-OD2 2.81Å; S256-D260 WeakPolarHBondContact O-CB 3.4Å; S256-D260 VanDerWaalsContact O-CG 3.25Å; S256-D260 PolarHBondContact O-N 3.37Å; D260-S263 PolarHBondContact O-N 3.18Å; D260-S264 PolarHBondContact O-N 2.92Å
261	H	98.9	Very high	98.4	Very high	29 Å²	29	45.9 Å²	45.9	13%	0.134	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-58.6	169.7	-178.2	42.1	0	0	0	112.2	I257 L259 S263 S264 L265 D272 L275	I257-H261 VanDerWaalsContact O-CB 3.23Å; I257-H261 WeakPolarHBondContact O-CB 3.23Å; I257-H261 PolarHBondContact O-N 3.45Å; L259-H261 VanDerWaalsContact C-N 3.34Å; H261-S263 PolarHBondContact O-N 2.92Å; H261-S263 VanDerWaalsContact O-N 3.08Å; H261-S264 WeakPolarHBondContact O-CB 3.25Å; H261-S264 PolarHBondContact O-N 3.15Å; H261-S264 PolarHBondContact O-OG 3.14Å; H261-L265 PolarHBondContact O-N 3.33Å; H261-D272 WeakPolarHBondContact NE2-CB 3.5Å; H261-D272 PolarHBondContact NE2-N 2.87Å; H261-D272 PolarHBondContact NE2-O 2.67Å; H261-L275 HydrophobicContact CB-CD2 4.21Å
262	I	98.7	Very high	98.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-17.5	-177.9	68.8	172.8	0	0	0	114	L209 W210 F213 F258 L259 L276	L209-I262 HydrophobicContact CB-CG2 4.05Å; W210-I262 HydrophobicContact CD2-CD1 3.66Å; W210-I262 HydrophobicContact CD2-CG1 4.21Å; W210-I262 HydrophobicContact CE3-CD1 3.81Å; W210-I262 HydrophobicContact CG-CD1 4.09Å; W210-I262 HydrophobicContact CH2-CD1 4.34Å; W210-I262 HydrophobicContact CH2-CG1 4.4Å; W210-I262 HydrophobicContact CZ2-CD1 4.2Å; W210-I262 HydrophobicContact CZ2-CG1 3.97Å; W210-I262 HydrophobicContact CZ3-CD1 4.15Å; W210-I262 PolarHBondContact NE1-O 3.34Å; F213-I262 HydrophobicContact CB-CD1 3.82Å; F213-I262 HydrophobicContact CG-CD1 4.12Å; F258-I262 HydrophobicContact CD1-CD1 4.16Å; F258-I262 HydrophobicContact CD1-CG2 4.18Å; F258-I262 HydrophobicContact CE1-CD1 4.09Å; F258-I262 HydrophobicContact CE1-CG2 3.98Å; F258-I262 WeakPolarHBondContact O-CG1 3.14Å; F258-I262 PolarHBondContact O-N 3.35Å; F258-I262 VanDerWaalsContact O-N 3.12Å; L259-I262 WeakPolarHBondContact O-CG1 3.49Å; L259-I262 PolarHBondContact O-N 2.89Å; I262-L276 HydrophobicContact CG2-CD1 4.35Å
263	S	98.5	Very high	98.5	Very high	66 Å²	66	48.7 Å²	48.7	46%	0.462	27%	0.267	S	S	.	.	H	α-helix	trans	-81.4	-23.3	173.5	-58.3	0	0	0	0	113.2	W210 L259 D260 H261	W210-S263 WeakPolarHBondContact CZ2-OG 3.47Å; L259-S263 VanDerWaalsContact O-CB 3.27Å; L259-S263 WeakPolarHBondContact O-CB 3.44Å; L259-S263 PolarHBondContact O-N 2.97Å; L259-S263 PolarHBondContact O-OG 3.15Å; D260-S263 PolarHBondContact O-N 3.18Å; H261-S263 PolarHBondContact O-N 2.92Å; H261-S263 VanDerWaalsContact O-N 3.08Å
264	S	98.6	Very high	98.6	Very high	88 Å²	88	49.5 Å²	49.5	62%	0.615	26%	0.261	S	S	*	.	H	α-helix	trans	-81.9	-24.1	174.6	75.5	0	0	0	0	113.6	D260 H261	D260-S264 PolarHBondContact O-N 2.92Å; H261-S264 WeakPolarHBondContact O-CB 3.25Å; H261-S264 PolarHBondContact O-N 3.15Å; H261-S264 PolarHBondContact O-OG 3.14Å
265	L	98.8	Very high	98.7	Very high	18 Å²	18	50.2 Å²	50.2	9%	0.094	27%	0.266	C	S	.	.			trans	-75.4	146.5	-173.6	-65.5	175.9	0	0	0	113.4	H206 H261 T269 P271	H206-L265 HydrophobicContact CB-CB 3.7Å; H206-L265 HydrophobicContact CB-CD1 4Å; H206-L265 PolarHBondContact CD2-O 3.1Å; H261-L265 PolarHBondContact O-N 3.33Å; L265-T269 HydrophobicContact CD2-CG2 3.5Å; L265-P271 HydrophobicContact CD1-CB 3.76Å; L265-P271 HydrophobicContact CD1-CG 3.98Å
266	D	98.5	Very high	98.7	Very high	70 Å²	70	50.1 Å²	50.1	37%	0.374	27%	0.266	S	S	.	.			trans	-117.1	-169	171.2	84.4	-21	0	0	0	112.4	H206 F268 T269	H206-D266 PolarHBondContact CE1-O 2.89Å; H206-D266 PolarHBondContact ND1-O 3.32Å; D266-F268 PolarHBondContact OD1-N 2.94Å; D266-F268 WeakPolarHBondContact OD2-CD2 3.26Å; D266-T269 VanDerWaalsContact OD1-CB 3.28Å; D266-T269 WeakPolarHBondContact OD1-CB 3.28Å; D266-T269 PolarHBondContact OD1-N 3.04Å; D266-T269 PolarHBondContact OD1-OG1 3.24Å
267	Y	98.7	Very high	98.7	Very high	22 Å²	22	49.5 Å²	49.5	9%	0.086	26%	0.261	C	S	.	.	S	Bend	trans	-64.4	-38.2	179.4	176.7	-96.6	0	0	0	113.6	V177 R178 P180 E202 M203 H206	V177-Y267 HydrophobicContact CG1-CD1 4.08Å; V177-Y267 HydrophobicContact CG1-CE1 3.42Å; V177-Y267 VanDerWaalsContact CG1-CE1 3.42Å; R178-Y267 WeakPolarHBondContact O-CE1 2.8Å; R178-Y267 PolarHBondContact O-OH 3Å; P180-Y267 HydrophobicContact CB-CD1 3.88Å; P180-Y267 HydrophobicContact CB-CD2 4.49Å; P180-Y267 HydrophobicContact CB-CE1 3.71Å; P180-Y267 HydrophobicContact CB-CE2 4.36Å; P180-Y267 HydrophobicContact CB-CG 4.29Å; P180-Y267 HydrophobicContact CG-CD1 3.9Å; P180-Y267 HydrophobicContact CG-CE1 3.96Å; E202-Y267 HydrophobicContact CB-CE2 4.25Å; E202-Y267 HydrophobicContact CG-CD2 4.35Å; E202-Y267 HydrophobicContact CG-CE2 3.61Å; M203-Y267 VanDerWaalsContact O-CE2 3.26Å; M203-Y267 WeakPolarHBondContact O-CE2 3.09Å; H206-Y267 WeakPolarHBondContact NE2-CA 3.37Å
268	F	98.6	Very high	98.7	Very high	110 Å²	110	48 Å²	48	48%	0.482	26%	0.257	S	S	.	.	S	Bend	trans	-86.2	-32.3	-172	-60.1	-76.8	0	0	0	112.8	V177 P180 R205 D266	V177-F268 HydrophobicContact CG1-CD1 4.28Å; P180-F268 HydrophobicContact CG-CE1 4.22Å; P180-F268 HydrophobicContact CG-CE2 4.41Å; P180-F268 HydrophobicContact CG-CZ 3.65Å; R205-F268 PolarHBondContact NH2-O 3.22Å; D266-F268 PolarHBondContact OD1-N 2.94Å; D266-F268 WeakPolarHBondContact OD2-CD2 3.26Å
269	T	98.6	Very high	98.7	Very high	68 Å²	68	48 Å²	48	42%	0.417	26%	0.257	S	S	.	.	S	Bend	trans	-65.9	138.4	-177.2	-52.5	0	0	0	0	111.2	R205 L265 D266	R205-T269 PolarHBondContact NE-O 3.06Å; R205-T269 PolarHBondContact NH2-O 2.83Å; L265-T269 HydrophobicContact CD2-CG2 3.5Å; D266-T269 VanDerWaalsContact OD1-CB 3.28Å; D266-T269 WeakPolarHBondContact OD1-CB 3.28Å; D266-T269 PolarHBondContact OD1-N 3.04Å; D266-T269 PolarHBondContact OD1-OG1 3.24Å
270	K	98.8	Very high	98.7	Very high	134 Å²	134	47.9 Å²	47.9	58%	0.583	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-79.8	126.7	170.4	-171	-162.8	168.4	-171.6	0	107.7	D272 Y273	K270-D272 PolarHBondContact O-N 3.02Å; K270-Y273 HydrophobicContact CG-CE2 4.29Å
271	P	98.8	Very high	98.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-58.1	137	168	-18.4	29.8	0	0	0	110.1	R205 L209 L265 Y273	R205-P271 HydrophobicContact CB-CG 3.66Å; L209-P271 HydrophobicContact CD1-CB 3.5Å; L209-P271 HydrophobicContact CD1-CG 3.59Å; L265-P271 HydrophobicContact CD1-CB 3.76Å; L265-P271 HydrophobicContact CD1-CG 3.98Å; P271-Y273 HydrophobicContact CB-CD2 4.38Å; P271-Y273 HydrophobicContact CB-CE1 4.18Å; P271-Y273 HydrophobicContact CB-CE2 3.99Å; P271-Y273 HydrophobicContact CG-CE1 4.31Å; P271-Y273 HydrophobicContact CG-CE2 4.2Å; P271-Y273 WeakPolarHBondContact O-CD2 3.44Å; P271-Y273 WeakPolarHBondContact O-CE2 3.42Å; P271-Y273 PolarHBondContact O-N 2.71Å
272	D	98.8	Very high	98.7	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	26%	0.255	S	S	.	.			trans	-74.5	101.1	159.6	-173.5	-15.1	0	0	0	108	H261 K270 Q274 L275 L276	H261-D272 WeakPolarHBondContact NE2-CB 3.5Å; H261-D272 PolarHBondContact NE2-N 2.87Å; H261-D272 PolarHBondContact NE2-O 2.67Å; K270-D272 PolarHBondContact O-N 3.02Å; D272-Q274 WeakPolarHBondContact OD1-CA 3.48Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.46Å; D272-Q274 PolarHBondContact OD1-N 3.25Å; D272-L275 HydrophobicContact CB-CB 4.02Å; D272-L275 PolarHBondContact OD1-N 2.68Å; D272-L276 WeakPolarHBondContact O-CG 3.23Å
273	Y	98.8	Very high	98.7	Very high	6 Å²	6	47.4 Å²	47.4	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-75.5	-26.4	176.4	-57.1	-91.9	0	0	0	111.7	L126 E130 H133 L209 K270 P271 L276 T277	L126-Y273 HydrophobicContact CD1-CD1 4.12Å; E130-Y273 HydrophobicContact CB-CD1 3.74Å; E130-Y273 HydrophobicContact CB-CE1 4.08Å; E130-Y273 HydrophobicContact CB-CG 4.02Å; E130-Y273 VanDerWaalsContact CD-CB 3.49Å; E130-Y273 HydrophobicContact CG-CD1 4.12Å; E130-Y273 HydrophobicContact CG-CD2 4.05Å; E130-Y273 HydrophobicContact CG-CE1 4.46Å; E130-Y273 HydrophobicContact CG-CE2 4.42Å; E130-Y273 HydrophobicContact CG-CG 3.92Å; E130-Y273 WeakPolarHBondContact OE1-CD2 3.43Å; E130-Y273 WeakPolarHBondContact OE2-CB 3.32Å; H133-Y273 WeakPolarHBondContact CB-OH 3.25Å; H133-Y273 AromaticContact ND1-CE1 3.67Å; H133-Y273 AromaticContact ND1-CZ 3.59Å; H133-Y273 PolarHBondContact ND1-OH 3.13Å; L209-Y273 HydrophobicContact CD1-CE1 4.26Å; K270-Y273 HydrophobicContact CG-CE2 4.29Å; P271-Y273 HydrophobicContact CB-CD2 4.38Å; P271-Y273 HydrophobicContact CB-CE1 4.18Å; P271-Y273 HydrophobicContact CB-CE2 3.99Å; P271-Y273 HydrophobicContact CG-CE1 4.31Å; P271-Y273 HydrophobicContact CG-CE2 4.2Å; P271-Y273 WeakPolarHBondContact O-CD2 3.44Å; P271-Y273 WeakPolarHBondContact O-CE2 3.42Å; P271-Y273 PolarHBondContact O-N 2.71Å; Y273-L276 PolarHBondContact O-N 3.44Å; Y273-T277 PolarHBondContact O-N 3.12Å; Y273-T277 PolarHBondContact O-OG1 2.97Å; Y273-T277 VanDerWaalsContact O-OG1 3.06Å
274	Q	98.8	Very high	98.6	Very high	125 Å²	125	45 Å²	45	58%	0.584	24%	0.236	S	C	*	.	H	α-helix	trans	-71.3	-39.4	-179.8	-61.4	-62.4	-52.9	0	0	110.8	D272 L276 T277 S278	D272-Q274 WeakPolarHBondContact OD1-CA 3.48Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.46Å; D272-Q274 PolarHBondContact OD1-N 3.25Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.25Å; Q274-T277 PolarHBondContact O-N 2.86Å; Q274-S278 WeakPolarHBondContact O-CB 3.49Å; Q274-S278 PolarHBondContact O-N 3.35Å
275	L	98.8	Very high	98.6	Very high	57 Å²	57	47.4 Å²	47.4	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-55.9	-47.2	167.9	-179.2	61.4	0	0	0	111.5	I257 H261 D272 S278 V279	I257-L275 HydrophobicContact CG2-CD1 3.86Å; I257-L275 HydrophobicContact CG2-CD2 4.3Å; I257-L275 HydrophobicContact CG2-CG 4.19Å; H261-L275 HydrophobicContact CB-CD2 4.21Å; D272-L275 HydrophobicContact CB-CB 4.02Å; D272-L275 PolarHBondContact OD1-N 2.68Å; L275-S278 PolarHBondContact O-N 2.98Å; L275-S278 PolarHBondContact O-OG 3.01Å; L275-V279 PolarHBondContact O-N 2.89Å
276	L	98.8	Very high	98.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-36.3	179.8	-63.6	-178.4	0	0	0	113.1	L126 L209 F258 I262 D272 Y273 Q274 V279 F280	L126-L276 HydrophobicContact CD1-CB 4.25Å; L126-L276 HydrophobicContact CD1-CD1 4.26Å; L126-L276 HydrophobicContact CD2-CB 3.63Å; L209-L276 HydrophobicContact CD1-CD1 3.8Å; L209-L276 HydrophobicContact CD2-CD1 4.08Å; L209-L276 HydrophobicContact CG-CD1 4.46Å; F258-L276 HydrophobicContact CB-CD2 4.15Å; F258-L276 HydrophobicContact CD1-CD2 4.04Å; F258-L276 HydrophobicContact CD2-CB 4.39Å; F258-L276 HydrophobicContact CD2-CD2 3.58Å; F258-L276 HydrophobicContact CD2-CG 4.49Å; F258-L276 HydrophobicContact CE1-CD2 4.28Å; F258-L276 HydrophobicContact CE2-CB 4.14Å; F258-L276 HydrophobicContact CE2-CD1 4.39Å; F258-L276 HydrophobicContact CE2-CD2 3.85Å; F258-L276 HydrophobicContact CE2-CG 4.35Å; F258-L276 HydrophobicContact CG-CD2 3.65Å; F258-L276 HydrophobicContact CZ-CD1 4.25Å; F258-L276 HydrophobicContact CZ-CD2 4.19Å; I262-L276 HydrophobicContact CG2-CD1 4.35Å; D272-L276 WeakPolarHBondContact O-CG 3.23Å; Y273-L276 PolarHBondContact O-N 3.44Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.25Å; L276-V279 PolarHBondContact O-N 2.89Å; L276-F280 VanDerWaalsContact O-CD2 3.26Å; L276-F280 WeakPolarHBondContact O-CD2 3.45Å; L276-F280 PolarHBondContact O-N 3.06Å
277	T	98.8	Very high	98.5	Very high	22 Å²	22	53.3 Å²	53.3	14%	0.135	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-42	172.3	-62.1	0	0	0	0	110.9	L126 Y273 Q274 V279 F280 D281	L126-T277 WeakPolarHBondContact CD2-OG1 3.26Å; Y273-T277 PolarHBondContact O-N 3.12Å; Y273-T277 PolarHBondContact O-OG1 2.97Å; Y273-T277 VanDerWaalsContact O-OG1 3.06Å; Q274-T277 PolarHBondContact O-N 2.86Å; T277-V279 VanDerWaalsContact C-N 3.29Å; T277-V279 PolarHBondContact O-N 3.43Å; T277-F280 WeakPolarHBondContact O-CA 3.31Å; T277-F280 WeakPolarHBondContact O-CB 3.44Å; T277-F280 PolarHBondContact O-N 2.85Å; T277-D281 PolarHBondContact O-N 2.66Å
278	S	98.7	Very high	98.4	Very high	42 Å²	42	54.9 Å²	54.9	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-38.1	178	79.4	0	0	0	0	112.7	Q274 L275 F280 D281 N282	Q274-S278 WeakPolarHBondContact O-CB 3.49Å; Q274-S278 PolarHBondContact O-N 3.35Å; L275-S278 PolarHBondContact O-N 2.98Å; L275-S278 PolarHBondContact O-OG 3.01Å; S278-F280 VanDerWaalsContact C-N 3.32Å; S278-F280 PolarHBondContact O-N 3.32Å; S278-D281 PolarHBondContact O-N 3.01Å; S278-N282 VanDerWaalsContact O-CB 3.23Å; S278-N282 WeakPolarHBondContact O-CB 3.26Å; S278-N282 PolarHBondContact O-N 2.95Å; S278-N282 PolarHBondContact O-ND2 3.16Å
279	V	98.8	Very high	98.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-39.5	173.7	170	0	0	0	0	111.7	E254 F255 I257 F258 L275 L276 T277 S283	E254-V279 HydrophobicContact CB-CB 4.47Å; E254-V279 HydrophobicContact CB-CG1 3.87Å; E254-V279 HydrophobicContact CB-CG2 4.39Å; E254-V279 WeakPolarHBondContact O-CG1 3.45Å; F255-V279 HydrophobicContact CD1-CG1 4.47Å; F255-V279 HydrophobicContact CD2-CG1 3.98Å; F255-V279 HydrophobicContact CE1-CG1 4.43Å; F255-V279 HydrophobicContact CE2-CG1 3.94Å; F255-V279 HydrophobicContact CG-CG1 4.25Å; F255-V279 HydrophobicContact CZ-CG1 4.17Å; I257-V279 HydrophobicContact CB-CG2 4.01Å; I257-V279 HydrophobicContact CG2-CG2 4.21Å; F258-V279 HydrophobicContact CB-CG1 4.27Å; F258-V279 HydrophobicContact CD2-CG1 4.46Å; L275-V279 PolarHBondContact O-N 2.89Å; L276-V279 PolarHBondContact O-N 2.89Å; T277-V279 VanDerWaalsContact C-N 3.29Å; T277-V279 PolarHBondContact O-N 3.43Å; V279-S283 WeakPolarHBondContact O-CB 3.47Å; V279-S283 PolarHBondContact O-N 3.05Å; V279-S283 VanDerWaalsContact O-N 3.17Å; V279-S283 PolarHBondContact O-OG 2.92Å
280	F	98.8	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-51.9	173.8	-73	-70.9	0	0	0	111.9	L119 R123 L126 L216 F255 F258 L276 T277 S278 N282 S283 I284	L119-F280 HydrophobicContact CD2-CD1 3.89Å; L119-F280 HydrophobicContact CD2-CE1 4.41Å; R123-F280 HydrophobicContact CB-CB 4.08Å; R123-F280 HydrophobicContact CB-CD2 4.37Å; R123-F280 HydrophobicContact CB-CG 4.13Å; L126-F280 HydrophobicContact CB-CE2 4.1Å; L126-F280 HydrophobicContact CD2-CD2 3.95Å; L126-F280 HydrophobicContact CD2-CE2 3.86Å; L216-F280 HydrophobicContact CD1-CE1 3.91Å; L216-F280 HydrophobicContact CD1-CZ 3.67Å; L216-F280 HydrophobicContact CD2-CE1 4.4Å; F255-F280 HydrophobicContact CE1-CE1 4.06Å; F255-F280 HydrophobicContact CE1-CZ 4.32Å; F255-F280 AromaticContact CZ-CD1 3.89Å; F255-F280 HydrophobicContact CZ-CD1 3.89Å; F255-F280 AromaticContact CZ-CE1 3.64Å; F255-F280 HydrophobicContact CZ-CE1 3.64Å; F255-F280 HydrophobicContact CZ-CZ 4.31Å; F258-F280 HydrophobicContact CD2-CE2 4.47Å; F258-F280 AromaticContact CE2-CE2 3.8Å; F258-F280 HydrophobicContact CE2-CE2 3.8Å; F258-F280 HydrophobicContact CE2-CZ 4.04Å; L276-F280 VanDerWaalsContact O-CD2 3.26Å; L276-F280 WeakPolarHBondContact O-CD2 3.45Å; L276-F280 PolarHBondContact O-N 3.06Å; T277-F280 WeakPolarHBondContact O-CA 3.31Å; T277-F280 WeakPolarHBondContact O-CB 3.44Å; T277-F280 PolarHBondContact O-N 2.85Å; S278-F280 VanDerWaalsContact C-N 3.32Å; S278-F280 PolarHBondContact O-N 3.32Å; F280-N282 VanDerWaalsContact C-N 3.35Å; F280-N282 PolarHBondContact O-N 3.2Å; F280-S283 PolarHBondContact O-N 3.25Å; F280-I284 WeakPolarHBondContact O-CB 3.37Å; F280-I284 WeakPolarHBondContact O-CG1 3.4Å; F280-I284 PolarHBondContact O-N 3.23Å
281	D	98.3	Very high	98	Very high	39 Å²	39	51.2 Å²	51.2	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-36.1	-174.1	-73.5	-30.1	0	0	0	112.5	R123 T277 S278 I284 K285	R123-D281 VanDerWaalsContact CD-OD1 3.26Å; R123-D281 WeakPolarHBondContact CD-OD1 3.41Å; R123-D281 IonicContact CZ-OD1 2.81Å; R123-D281 IonicContact NE-OD1 2.85Å; R123-D281 IonicContact NH1-OD1 3.89Å; R123-D281 PolarHBondContact NH1-OD1 3.21Å; T277-D281 PolarHBondContact O-N 2.66Å; S278-D281 PolarHBondContact O-N 3.01Å; D281-I284 PolarHBondContact O-N 2.85Å; D281-K285 WeakPolarHBondContact O-CD 3.31Å; D281-K285 VanDerWaalsContact O-CE 3.27Å; D281-K285 WeakPolarHBondContact O-CE 3.44Å; D281-K285 WeakPolarHBondContact O-CG 3.5Å; D281-K285 PolarHBondContact O-N 2.92Å
282	N	98.3	Very high	97.8	Very high	53 Å²	53	55.3 Å²	55.3	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-70.1	-43.8	173.5	-64.7	-13.3	0	0	0	111.5	E254 S278 F280 I284 K285 T286	E254-N282 VanDerWaalsContact CD-CB 3.44Å; E254-N282 WeakPolarHBondContact OE1-CB 3.41Å; E254-N282 WeakPolarHBondContact OE2-CB 3.23Å; E254-N282 PolarHBondContact OE2-ND2 3.27Å; S278-N282 VanDerWaalsContact O-CB 3.23Å; S278-N282 WeakPolarHBondContact O-CB 3.26Å; S278-N282 PolarHBondContact O-N 2.95Å; S278-N282 PolarHBondContact O-ND2 3.16Å; F280-N282 VanDerWaalsContact C-N 3.35Å; F280-N282 PolarHBondContact O-N 3.2Å; N282-I284 PolarHBondContact O-N 2.89Å; N282-K285 PolarHBondContact O-N 3.25Å; N282-K285 VanDerWaalsContact O-N 3.14Å; N282-K285 PolarHBondContact OD1-NZ 3.11Å; N282-T286 WeakPolarHBondContact O-CB 3.34Å; N282-T286 PolarHBondContact O-N 2.97Å; N282-T286 PolarHBondContact O-OG1 3.1Å; N282-T286 VanDerWaalsContact O-OG1 3.09Å
283	S	98.4	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-37.4	172.3	-65	0	0	0	0	112	P252 E254 V279 F280 F287	P252-S283 VanDerWaalsContact CB-OG 3.28Å; P252-S283 WeakPolarHBondContact CB-OG 3.49Å; E254-S283 PolarHBondContact OE1-N 3.48Å; V279-S283 WeakPolarHBondContact O-CB 3.47Å; V279-S283 PolarHBondContact O-N 3.05Å; V279-S283 VanDerWaalsContact O-N 3.17Å; V279-S283 PolarHBondContact O-OG 2.92Å; F280-S283 PolarHBondContact O-N 3.25Å; S283-F287 WeakPolarHBondContact O-CB 3.5Å; S283-F287 VanDerWaalsContact O-CD2 3.29Å; S283-F287 WeakPolarHBondContact O-CD2 3.32Å; S283-F287 PolarHBondContact O-N 2.88Å; S283-F287 VanDerWaalsContact O-N 3.08Å
284	I	98.2	Very high	97.6	Very high	15 Å²	15	56.4 Å²	56.4	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-49.9	175.4	-76.7	168.3	0	0	0	110.1	L119 R120 F280 D281 N282 F287 G288 V289	L119-I284 HydrophobicContact CB-CD1 4.18Å; L119-I284 HydrophobicContact CB-CG1 3.75Å; L119-I284 HydrophobicContact CD1-CG1 3.99Å; L119-I284 HydrophobicContact CG-CG1 4.48Å; R120-I284 HydrophobicContact CG-CD1 4.39Å; F280-I284 WeakPolarHBondContact O-CB 3.37Å; F280-I284 WeakPolarHBondContact O-CG1 3.4Å; F280-I284 PolarHBondContact O-N 3.23Å; D281-I284 PolarHBondContact O-N 2.85Å; N282-I284 PolarHBondContact O-N 2.89Å; I284-F287 PolarHBondContact O-N 3.46Å; I284-G288 PolarHBondContact O-N 3.12Å; I284-G288 VanDerWaalsContact O-N 3.16Å; I284-V289 HydrophobicContact CB-CB 4.36Å; I284-V289 HydrophobicContact CG1-CB 4.45Å; I284-V289 HydrophobicContact CG1-CG1 4.35Å; I284-V289 HydrophobicContact CG2-CB 4Å; I284-V289 HydrophobicContact CG2-CG1 4.23Å; I284-V289 VanDerWaalsContact CG2-O 3.22Å; I284-V289 WeakPolarHBondContact CG2-O 3.46Å; I284-V289 PolarHBondContact O-N 3.03Å
285	K	97.7	Very high	97.6	Very high	138 Å²	138	50.6 Å²	50.6	60%	0.6	29%	0.286	S	S	*	.	H	α-helix	trans	-59.1	-50.7	175.8	-65.7	158.9	-150.3	159.9	0	111.8	D281 N282 F287 G288	D281-K285 WeakPolarHBondContact O-CD 3.31Å; D281-K285 VanDerWaalsContact O-CE 3.27Å; D281-K285 WeakPolarHBondContact O-CE 3.44Å; D281-K285 WeakPolarHBondContact O-CG 3.5Å; D281-K285 PolarHBondContact O-N 2.92Å; N282-K285 PolarHBondContact O-N 3.25Å; N282-K285 VanDerWaalsContact O-N 3.14Å; N282-K285 PolarHBondContact OD1-NZ 3.11Å; K285-F287 VanDerWaalsContact C-N 3.3Å; K285-F287 PolarHBondContact O-N 3.33Å; K285-G288 PolarHBondContact O-N 3.49Å
286	T	97.7	Very high	97.5	Very high	107 Å²	107	48.5 Å²	48.5	66%	0.656	28%	0.275	S	S	*	.	H	α-helix	trans	-62.8	-33.8	-177.2	-62.1	0	0	0	0	113	N282	N282-T286 WeakPolarHBondContact O-CB 3.34Å; N282-T286 PolarHBondContact O-N 2.97Å; N282-T286 PolarHBondContact O-OG1 3.1Å; N282-T286 VanDerWaalsContact O-OG1 3.09Å
287	F	96.7	Very high	97.4	Very high	105 Å²	105	51 Å²	51	46%	0.461	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.1	176.1	-78.4	-105.8	0	0	0	113.6	I115 P252 S283 I284 K285 V289	I115-F287 HydrophobicContact CB-CD1 4.41Å; I115-F287 HydrophobicContact CG1-CE1 4.37Å; I115-F287 HydrophobicContact CG2-CD1 3.89Å; I115-F287 HydrophobicContact CG2-CE1 4.17Å; I115-F287 HydrophobicContact CG2-CG 4.12Å; P252-F287 HydrophobicContact CB-CD2 4.49Å; P252-F287 HydrophobicContact CB-CE2 3.75Å; P252-F287 HydrophobicContact CB-CZ 4.36Å; P252-F287 HydrophobicContact CG-CD2 4.34Å; P252-F287 HydrophobicContact CG-CE2 3.79Å; P252-F287 HydrophobicContact CG-CZ 4.16Å; S283-F287 WeakPolarHBondContact O-CB 3.5Å; S283-F287 VanDerWaalsContact O-CD2 3.29Å; S283-F287 WeakPolarHBondContact O-CD2 3.32Å; S283-F287 PolarHBondContact O-N 2.88Å; S283-F287 VanDerWaalsContact O-N 3.08Å; I284-F287 PolarHBondContact O-N 3.46Å; K285-F287 VanDerWaalsContact C-N 3.3Å; K285-F287 PolarHBondContact O-N 3.33Å; F287-V289 HydrophobicContact CB-CG2 3.9Å; F287-V289 PolarHBondContact O-N 2.94Å
288	G	97.1	Very high	97.2	Very high	56 Å²	56	52.3 Å²	52.3	58%	0.577	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	26	179.7	0	0	0	0	0	114.2	I284 K285	I284-G288 PolarHBondContact O-N 3.12Å; I284-G288 VanDerWaalsContact O-N 3.16Å; K285-G288 PolarHBondContact O-N 3.49Å
289	V	97.8	Very high	96.5	Very high	16 Å²	16	55 Å²	55	10%	0.097	30%	0.295	C	S	.	.			trans	-78.8	131.2	-176.1	172.9	0	0	0	0	109.7	R120 I284 F287	R120-V289 HydrophobicContact CG-CG1 4.03Å; I284-V289 HydrophobicContact CB-CB 4.36Å; I284-V289 HydrophobicContact CG1-CB 4.45Å; I284-V289 HydrophobicContact CG1-CG1 4.35Å; I284-V289 HydrophobicContact CG2-CB 4Å; I284-V289 HydrophobicContact CG2-CG1 4.23Å; I284-V289 VanDerWaalsContact CG2-O 3.22Å; I284-V289 WeakPolarHBondContact CG2-O 3.46Å; I284-V289 PolarHBondContact O-N 3.03Å; F287-V289 HydrophobicContact CB-CG2 3.9Å; F287-V289 PolarHBondContact O-N 2.94Å
290	I	96.1	Very high	94.7	Very high	100 Å²	100	57.7 Å²	57.7	51%	0.513	31%	0.312	S	S	.	.			trans	-108.5	143.5	178	-44.6	-177.6	0	0	0	109.3	S292 D293	I290-S292 VanDerWaalsContact CG2-OG 3.22Å; I290-S292 WeakPolarHBondContact CG2-OG 3.31Å; I290-S292 PolarHBondContact O-N 2.79Å; I290-S292 VanDerWaalsContact O-N 3.12Å; I290-D293 PolarHBondContact N-OD1 3.04Å; I290-D293 PolarHBondContact N-OD2 3.07Å; I290-D293 VanDerWaalsContact O-CB 3.23Å; I290-D293 WeakPolarHBondContact O-CB 3.28Å; I290-D293 VanDerWaalsContact O-CG 3.24Å; I290-D293 PolarHBondContact O-N 2.67Å
291	E	93.6	Very high	92.4	Very high	119 Å²	119	60.2 Å²	60.2	56%	0.556	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.1	177.2	-65.4	-168.8	176.4	0	0	112.9	R123 R157	R123-E291 IonicContact CZ-OE1 3.59Å; R123-E291 VanDerWaalsContact CZ-OE1 3.22Å; R123-E291 IonicContact NH1-OE1 3.85Å; R123-E291 PolarHBondContact NH1-OE1 3.44Å; R123-E291 IonicContact NH2-OE1 2.64Å; R123-E291 PolarHBondContact NH2-OE1 2.81Å; R157-E291 PolarHBondContact NH2-O 3.34Å
292	S	95.1	Very high	89.5	Confident	87 Å²	87	66.6 Å²	66.6	61%	0.608	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.4	173.4	58.3	0	0	0	0	115	R157 I290	R157-S292 VanDerWaalsContact NH2-CA 3.29Å; R157-S292 PolarHBondContact NH2-O 3.18Å; I290-S292 VanDerWaalsContact CG2-OG 3.22Å; I290-S292 WeakPolarHBondContact CG2-OG 3.31Å; I290-S292 PolarHBondContact O-N 2.79Å; I290-S292 VanDerWaalsContact O-N 3.12Å
293	D	96.1	Very high	86.9	Confident	40 Å²	40	71.9 Å²	71.9	21%	0.214	40%	0.4	C	S	.	.	S	Bend	trans	-49.4	138.3	176.7	-80.9	-0.8	0	0	0	111.6	S116 R120 R157 I290 F295	S116-D293 PolarHBondContact OG-OD2 3.48Å; R120-D293 PolarHBondContact NH1-O 2.66Å; R120-D293 VanDerWaalsContact NH2-CB 3.3Å; R120-D293 PolarHBondContact NH2-O 3.31Å; R157-D293 PolarHBondContact NH1-O 3.14Å; R157-D293 PolarHBondContact NH2-O 3.46Å; I290-D293 PolarHBondContact N-OD1 3.04Å; I290-D293 PolarHBondContact N-OD2 3.07Å; I290-D293 VanDerWaalsContact O-CB 3.23Å; I290-D293 WeakPolarHBondContact O-CB 3.28Å; I290-D293 VanDerWaalsContact O-CG 3.24Å; I290-D293 PolarHBondContact O-N 2.67Å; D293-F295 PolarHBondContact O-N 3.35Å
294	P	97.2	Very high	84	Confident	63 Å²	63	75.2 Å²	75.2	41%	0.409	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61.3	137.5	170.2	25.1	-32.1	0	0	0	110.6	R120 E298 K299	R120-P294 PolarHBondContact NH2-O 3.35Å; P294-E298 WeakPolarHBondContact CA-OE2 3.32Å; P294-E298 HydrophobicContact CB-CB 4.08Å; P294-K299 HydrophobicContact CB-CG 3.95Å; P294-K299 HydrophobicContact CG-CG 3.95Å; P294-K299 WeakPolarHBondContact O-CE 3.24Å
295	F	98.1	Very high	81	Confident	3 Å²	3	78.1 Å²	78.1	1%	0.013	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-69.5	160.8	166.8	-73.7	-68.7	0	0	0	110.6	T117 R120 L121 M149 R157 D293 W297 E298 K299	T117-F295 HydrophobicContact CG2-CD1 3.92Å; R120-F295 HydrophobicContact CB-CE1 4.02Å; R120-F295 HydrophobicContact CB-CZ 4.35Å; L121-F295 HydrophobicContact CD2-CE1 4.38Å; L121-F295 HydrophobicContact CG-CE1 4.19Å; M149-F295 HydrophobicContact CE-CE2 4.08Å; M149-F295 HydrophobicContact CE-CZ 4.42Å; R157-F295 HydrophobicContact CB-CE2 3.99Å; R157-F295 HydrophobicContact CG-CD2 4.23Å; R157-F295 HydrophobicContact CG-CE2 4.15Å; D293-F295 PolarHBondContact O-N 3.35Å; F295-W297 HydrophobicContact CB-CD2 3.87Å; F295-W297 VanDerWaalsContact CB-CE2 3.43Å; F295-W297 HydrophobicContact CB-CE3 4.19Å; F295-W297 HydrophobicContact CB-CH2 3.77Å; F295-W297 HydrophobicContact CB-CZ2 3.38Å; F295-W297 HydrophobicContact CB-CZ3 4.16Å; F295-W297 AromaticContact CD1-CH2 3.74Å; F295-W297 HydrophobicContact CD1-CH2 3.74Å; F295-W297 AromaticContact CD1-CZ2 3.92Å; F295-W297 HydrophobicContact CD1-CZ2 3.92Å; F295-W297 HydrophobicContact CD1-CZ3 4.47Å; F295-W297 HydrophobicContact CD2-CH2 4.32Å; F295-W297 AromaticContact CD2-CZ2 3.65Å; F295-W297 HydrophobicContact CD2-CZ2 3.65Å; F295-W297 HydrophobicContact CE1-CH2 4.35Å; F295-W297 HydrophobicContact CE2-CZ2 4.36Å; F295-W297 AromaticContact CG-CE2 3.96Å; F295-W297 AromaticContact CG-CH2 3.7Å; F295-W297 HydrophobicContact CG-CH2 3.7Å; F295-W297 AromaticContact CG-CZ2 3.39Å; F295-W297 HydrophobicContact CG-CZ2 3.39Å; F295-W297 HydrophobicContact CG-CZ3 4.5Å; F295-W297 PolarHBondContact O-N 2.68Å; F295-E298 HydrophobicContact CB-CG 4.13Å; F295-E298 PolarHBondContact N-OE2 2.8Å; F295-E298 WeakPolarHBondContact O-CB 3.35Å; F295-E298 PolarHBondContact O-N 3.35Å; F295-K299 PolarHBondContact O-N 3.02Å
296	D	97.4	Very high	78.2	Confident	14 Å²	14	78.4 Å²	78.4	8%	0.075	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.7	-173.4	-59.6	-43.4	0	0	0	115	Q108 F113 T114 T117 K299	Q108-D296 PolarHBondContact NE2-O 3.49Å; Q108-D296 VanDerWaalsContact NE2-O 3.14Å; F113-D296 WeakPolarHBondContact CA-OD2 3.35Å; F113-D296 HydrophobicContact CD1-CB 4.43Å; T114-D296 WeakPolarHBondContact CG2-OD1 3.49Å; T114-D296 PolarHBondContact N-OD2 2.88Å; T114-D296 VanDerWaalsContact OG1-CG 3.29Å; T114-D296 PolarHBondContact OG1-OD1 3.35Å; T114-D296 PolarHBondContact OG1-OD2 3.46Å; T117-D296 WeakPolarHBondContact CB-OD2 3.37Å; T117-D296 PolarHBondContact OG1-N 3.28Å; T117-D296 PolarHBondContact OG1-OD1 3.02Å; T117-D296 PolarHBondContact OG1-OD2 2.98Å; D296-K299 IonicContact OD1-NZ 2.72Å; D296-K299 PolarHBondContact OD1-NZ 3.29Å
297	W	95.9	Very high	75.3	Confident	52 Å²	52	76.5 Å²	76.5	20%	0.197	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.9	171.1	56.7	78.6	0	0	0	113.6	L104 F113 T117 L121 M149 F295	L104-W297 HydrophobicContact CB-CE3 4.03Å; L104-W297 HydrophobicContact CB-CZ3 4.36Å; L104-W297 HydrophobicContact CD1-CD2 4.18Å; L104-W297 HydrophobicContact CD1-CE3 4.13Å; L104-W297 HydrophobicContact CD1-CH2 4.32Å; L104-W297 HydrophobicContact CD1-CZ2 4.37Å; L104-W297 HydrophobicContact CD1-CZ3 4.2Å; L104-W297 HydrophobicContact CD2-CB 3.92Å; L104-W297 HydrophobicContact CD2-CD2 3.78Å; L104-W297 HydrophobicContact CD2-CE3 4.04Å; L104-W297 HydrophobicContact CD2-CG 3.72Å; L104-W297 HydrophobicContact CG-CD2 4.42Å; L104-W297 HydrophobicContact CG-CE3 4.3Å; F113-W297 HydrophobicContact CD1-CZ3 4.39Å; F113-W297 AromaticContact CE1-CE3 3.86Å; F113-W297 HydrophobicContact CE1-CE3 3.86Å; F113-W297 AromaticContact CE1-CZ3 3.71Å; F113-W297 HydrophobicContact CE1-CZ3 3.71Å; F113-W297 HydrophobicContact CZ-CE3 4.31Å; F113-W297 AromaticContact CZ-CZ3 3.84Å; F113-W297 HydrophobicContact CZ-CZ3 3.84Å; T117-W297 HydrophobicContact CG2-CH2 4.24Å; T117-W297 HydrophobicContact CG2-CZ3 3.84Å; L121-W297 HydrophobicContact CD1-CH2 4.08Å; L121-W297 HydrophobicContact CD1-CZ3 4.26Å; L121-W297 HydrophobicContact CD2-CH2 4.23Å; L121-W297 HydrophobicContact CG-CH2 4.45Å; M149-W297 HydrophobicContact CE-CZ2 4.02Å; M149-W297 HydrophobicContact CG-CH2 4.14Å; M149-W297 HydrophobicContact CG-CZ2 3.61Å; M149-W297 HydrophobicContact SD-CH2 4.08Å; M149-W297 HydrophobicContact SD-CZ2 3.88Å; F295-W297 HydrophobicContact CB-CD2 3.87Å; F295-W297 VanDerWaalsContact CB-CE2 3.43Å; F295-W297 HydrophobicContact CB-CE3 4.19Å; F295-W297 HydrophobicContact CB-CH2 3.77Å; F295-W297 HydrophobicContact CB-CZ2 3.38Å; F295-W297 HydrophobicContact CB-CZ3 4.16Å; F295-W297 AromaticContact CD1-CH2 3.74Å; F295-W297 HydrophobicContact CD1-CH2 3.74Å; F295-W297 AromaticContact CD1-CZ2 3.92Å; F295-W297 HydrophobicContact CD1-CZ2 3.92Å; F295-W297 HydrophobicContact CD1-CZ3 4.47Å; F295-W297 HydrophobicContact CD2-CH2 4.32Å; F295-W297 AromaticContact CD2-CZ2 3.65Å; F295-W297 HydrophobicContact CD2-CZ2 3.65Å; F295-W297 HydrophobicContact CE1-CH2 4.35Å; F295-W297 HydrophobicContact CE2-CZ2 4.36Å; F295-W297 AromaticContact CG-CE2 3.96Å; F295-W297 AromaticContact CG-CH2 3.7Å; F295-W297 HydrophobicContact CG-CH2 3.7Å; F295-W297 AromaticContact CG-CZ2 3.39Å; F295-W297 HydrophobicContact CG-CZ2 3.39Å; F295-W297 HydrophobicContact CG-CZ3 4.5Å; F295-W297 PolarHBondContact O-N 2.68Å
298	E	94.8	Very high	72.5	Confident	49 Å²	49	77 Å²	77	23%	0.229	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-25.4	176.3	-57.4	175.2	164.6	0	0	110.8	R157 P294 F295 T300	R157-E298 WeakPolarHBondContact CG-OE1 3.34Å; R157-E298 IonicContact CZ-OE2 3.48Å; R157-E298 IonicContact NH1-OE2 2.79Å; R157-E298 PolarHBondContact NH1-OE2 3.35Å; P294-E298 WeakPolarHBondContact CA-OE2 3.32Å; P294-E298 HydrophobicContact CB-CB 4.08Å; F295-E298 HydrophobicContact CB-CG 4.13Å; F295-E298 PolarHBondContact N-OE2 2.8Å; F295-E298 WeakPolarHBondContact O-CB 3.35Å; F295-E298 PolarHBondContact O-N 3.35Å; E298-T300 PolarHBondContact O-N 3.22Å
299	K	84.1	Confident	69.5	Low	99 Å²	99	79 Å²	79	43%	0.43	47%	0.465	S	S	.	.			trans	-68.1	90.2	174.7	-62.3	171.5	-166.3	167	0	110.4	P294 F295 D296	P294-K299 HydrophobicContact CB-CG 3.95Å; P294-K299 HydrophobicContact CG-CG 3.95Å; P294-K299 WeakPolarHBondContact O-CE 3.24Å; F295-K299 PolarHBondContact O-N 3.02Å; D296-K299 IonicContact OD1-NZ 2.72Å; D296-K299 PolarHBondContact OD1-NZ 3.29Å
300	T	60.7	Low	66.6	Low	56 Å²	56	82.5 Å²	82.5	34%	0.344	49%	0.486	S	S	.	.			trans	-82.2	153.7	172.8	-41.2	0	0	0	0	111	E298 S305 T307	E298-T300 PolarHBondContact O-N 3.22Å; T300-S305 VanDerWaalsContact CB-O 3.24Å; T300-S305 WeakPolarHBondContact CB-O 3.46Å; T300-S305 WeakPolarHBondContact CG2-O 3.45Å; T300-T307 HydrophobicContact CG2-CG2 3.94Å; T300-T307 VanDerWaalsContact CG2-OG1 3.29Å; T300-T307 WeakPolarHBondContact CG2-OG1 3.33Å; T300-T307 PolarHBondContact OG1-N 2.93Å; T300-T307 PolarHBondContact OG1-OG1 3.3Å
301	G	50.6	Low	63.5	Low	53 Å²	53	82.9 Å²	82.9	55%	0.546	49%	0.493	S	S	.	.			trans	-73.9	-178.9	-174.6	0	0	0	0	0	115.5	D303 G304	G301-D303 PolarHBondContact O-N 2.82Å; G301-G304 PolarHBondContact O-N 3Å
302	N	38.8	Very low	60.6	Low	173 Å²	173	82.7 Å²	82.7	93%	0.925	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-11.7	-170.6	-89.3	67.7	0	0	0	118	G304	N302-G304 PolarHBondContact O-N 2.76Å
303	D	42.7	Very low	57.6	Low	165 Å²	165	84 Å²	84	88%	0.882	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	12.5	-177.5	-62.6	-24.3	0	0	0	113.7	G301 S305	G301-D303 PolarHBondContact O-N 2.82Å; D303-S305 PolarHBondContact O-N 3.45Å
304	G	38.5	Very low	54.3	Low	69 Å²	69	87 Å²	87	71%	0.711	53%	0.53	S	S	*	.			trans	70.4	-10.7	167.8	0	0	0	0	0	116.9	G301 N302 L306	G301-G304 PolarHBondContact O-N 3Å; N302-G304 PolarHBondContact O-N 2.76Å; G304-L306 PolarHBondContact O-N 3.4Å; G304-L306 VanDerWaalsContact O-N 3.17Å
305	S	33.9	Very low	51.3	Low	77 Å²	77	88.5 Å²	88.5	54%	0.538	54%	0.54	S	S	.	.			trans	-67.9	109.9	174.2	-172.8	0	0	0	0	110.2	T300 D303 T307	T300-S305 VanDerWaalsContact CB-O 3.24Å; T300-S305 WeakPolarHBondContact CB-O 3.46Å; T300-S305 WeakPolarHBondContact CG2-O 3.45Å; D303-S305 PolarHBondContact O-N 3.45Å; S305-T307 PolarHBondContact O-N 3.48Å; S305-T307 VanDerWaalsContact O-N 3.08Å
306	L	38.7	Very low	48	Very low	144 Å²	144	96.5 Å²	96.5	75%	0.754	58%	0.577	S	S	*	*			trans	-69	103.1	169.3	-75.5	172	0	0	0	109.1	G304 T308	G304-L306 PolarHBondContact O-N 3.4Å; G304-L306 VanDerWaalsContact O-N 3.17Å; L306-T308 PolarHBondContact O-N 3.14Å
307	T	38.1	Very low	45.2	Very low	67 Å²	67	103.5 Å²	103.5	41%	0.411	61%	0.613	S	S	.	*			trans	-82	58	175.6	55.8	0	0	0	0	112.1	T300 S305 T309	T300-T307 HydrophobicContact CG2-CG2 3.94Å; T300-T307 VanDerWaalsContact CG2-OG1 3.29Å; T300-T307 WeakPolarHBondContact CG2-OG1 3.33Å; T300-T307 PolarHBondContact OG1-N 2.93Å; T300-T307 PolarHBondContact OG1-OG1 3.3Å; S305-T307 PolarHBondContact O-N 3.48Å; S305-T307 VanDerWaalsContact O-N 3.08Å; T307-T309 PolarHBondContact O-N 3.48Å; T307-T309 PolarHBondContact O-OG1 2.93Å
308	T	38	Very low	42.1	Very low	115 Å²	115	109.8 Å²	109.8	71%	0.706	65%	0.645	S	S	*	*			trans	-64	77.5	152.9	19.8	0	0	0	0	108.4	L306 T310	L306-T308 PolarHBondContact O-N 3.14Å; T308-T310 PolarHBondContact O-N 3.34Å; T308-T310 PolarHBondContact O-OG1 3.39Å
309	T	33.9	Very low	39	Very low	98 Å²	98	113.7 Å²	113.7	60%	0.601	67%	0.672	S	S	*	*			trans	-76.4	55.4	-176.3	-40.7	0	0	0	0	111.7	T307 T311	T307-T309 PolarHBondContact O-N 3.48Å; T307-T309 PolarHBondContact O-OG1 2.93Å; T309-T311 HydrophobicContact CG2-CG2 3.68Å; T309-T311 WeakPolarHBondContact CG2-OG1 3.23Å; T309-T311 PolarHBondContact O-N 3.47Å
310	T	36	Very low	36.2	Very low	89 Å²	89	120.5 Å²	120.5	55%	0.546	70%	0.695	S	S	.	*			trans	-74.1	51.2	160.7	49.2	0	0	0	0	109.8	T308 S312	T308-T310 PolarHBondContact O-N 3.34Å; T308-T310 PolarHBondContact O-OG1 3.39Å; T310-S312 PolarHBondContact O-N 2.91Å
311	T	31.4	Very low	34.6	Very low	108 Å²	108	125.1 Å²	125.1	66%	0.663	72%	0.717	S	S	*	*			trans	-80.4	85.8	177.9	54.6	0	0	0	0	109.9	T309 T313	T309-T311 HydrophobicContact CG2-CG2 3.68Å; T309-T311 WeakPolarHBondContact CG2-OG1 3.23Å; T309-T311 PolarHBondContact O-N 3.47Å; T311-T313 PolarHBondContact O-N 3.48Å
312	S	33.1	Very low	33.6	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	73%	0.728	S	S	*	*			trans	-67.1	79.5	161.2	49.3	0	0	0	0	110.5	T310	T310-S312 PolarHBondContact O-N 2.91Å
313	T	31.6	Very low	33.1	Very low	114 Å²	114	126.5 Å²	126.5	70%	0.699	72%	0.723	S	S	*	*	S	Bend	trans	-175.6	130.6	154.2	-82	0	0	0	0	111.7	T311	T311-T313 PolarHBondContact O-N 3.48Å
314	T	27.5	Very low	32.4	Very low	105 Å²	105	123.2 Å²	123.2	64%	0.644	72%	0.719	S	S	*	*			trans	38.5	112.5	168.1	56.9	0	0	0	0	120.5	Q316	T314-Q316 PolarHBondContact O-N 3.11Å; T314-Q316 VanDerWaalsContact O-N 3.14Å
315	P	33.5	Very low	32.1	Very low	94 Å²	94	124.3 Å²	124.3	61%	0.61	72%	0.721	S	S	*	*			trans	-79.2	90.6	163.2	33	-33.1	0	0	0	111.5	L317	P315-L317 PolarHBondContact O-N 2.87Å; P315-L317 VanDerWaalsContact O-N 3.16Å
316	Q	29.8	Very low	31.9	Very low	171 Å²	171	128.7 Å²	128.7	80%	0.799	74%	0.737	S	S	*	*			trans	-76.2	101	169.7	-77	-159.4	-3.8	0	0	112	T314 H318	T314-Q316 PolarHBondContact O-N 3.11Å; T314-Q316 VanDerWaalsContact O-N 3.14Å; Q316-H318 PolarHBondContact O-N 2.86Å
317	L	38.3	Very low	31.2	Very low	160 Å²	160	125.4 Å²	125.4	84%	0.838	74%	0.738	S	S	*	*	S	Bend	trans	31.7	78.1	145.4	-61.8	176.5	0	0	0	117.9	P315	P315-L317 PolarHBondContact O-N 2.87Å; P315-L317 VanDerWaalsContact O-N 3.16Å
318	H	29.9	Very low	30.7	Very low	185 Å²	185	130 Å²	130	86%	0.856	76%	0.758	S	S	*	*			trans	-144.2	29.9	153.7	-92.8	111.4	0	0	0	114.6	Q316 R320	Q316-H318 PolarHBondContact O-N 2.86Å; H318-R320 PolarHBondContact O-N 3.1Å
319	T	30.8	Very low	30.2	Very low	130 Å²	130	128.8 Å²	128.8	80%	0.798	76%	0.76	S	S	*	*			trans	-68.1	93.7	165.5	-50.1	0	0	0	0	109.4	L321	T319-L321 PolarHBondContact O-N 3.47Å
320	R	23.9	Very low	29.8	Very low	242 Å²	242	132.3 Å²	132.3	91%	0.913	78%	0.775	S	S	*	*			trans	-65.6	97.5	170.7	-106.2	-171.8	178	-119.4	2.5	109.4	H318	H318-R320 PolarHBondContact O-N 3.1Å
321	L	28.1	Very low	29.3	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	78%	0.784	S	S	*	*			trans	-51.1	143.4	166.6	-68.6	168	0	0	0	109.8	T319 P323	T319-L321 PolarHBondContact O-N 3.47Å; L321-P323 WeakPolarHBondContact O-CD 3.19Å
322	T	29	Very low	29.2	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	79%	0.793	S	S	*	*			trans	-66.6	123.3	174.7	-62.7	0	0	0	0	108.6	A324	T322-A324 PolarHBondContact O-N 2.97Å
323	P	28.1	Very low	29.1	Very low	127 Å²	127	133.8 Å²	133.8	83%	0.825	79%	0.79	S	S	*	*			trans	-70.6	104.8	-173.4	27.2	-34.1	0	0	0	110.8	L321	L321-P323 WeakPolarHBondContact O-CD 3.19Å
324	A	29.3	Very low	28.9	Very low	97 Å²	97	136.2 Å²	136.2	80%	0.802	80%	0.797	S	S	*	*			trans	-136.4	20.2	176	0	0	0	0	0	112.8	T322	T322-A324 PolarHBondContact O-N 2.97Å
325	A	31.3	Very low	28.9	Very low	91 Å²	91	137.5 Å²	137.5	75%	0.752	81%	0.807	S	S	*	*			trans	-156.6	109.5	170.7	0	0	0	0	0	111.4
326	I	29.5	Very low	28.6	Very low	169 Å²	169	136.7 Å²	136.7	87%	0.867	82%	0.816	S	S	*	*			trans	-171.4	122.5	142	-95.6	153.3	0	0	0	104.8
327	G	25.2	Very low	28.8	Very low	75 Å²	75	136.1 Å²	136.1	77%	0.773	82%	0.818	S	S	*	*			trans	-110	138	171.5	0	0	0	0	0	109.8
328	I	27	Very low	28.3	Very low	165 Å²	165	136.8 Å²	136.8	85%	0.846	82%	0.822	S	S	*	*			trans	-114.2	133.2	159.2	-63.3	179.8	0	0	0	106.1
329	A	26.7	Very low	28.4	Very low	88 Å²	88	135.6 Å²	135.6	73%	0.727	82%	0.821	S	S	*	*			trans	-83.1	147	-163.7	0	0	0	0	0	113.7
330	N	26.1	Very low	28.3	Very low	173 Å²	173	141.6 Å²	141.6	93%	0.925	83%	0.829	S	S	*	*			trans	-152.3	147.6	132.2	-93.7	-37.1	0	0	0	109
331	A	26.1	Very low	28.7	Very low	88 Å²	88	136.9 Å²	136.9	73%	0.727	82%	0.817	S	S	*	*			trans	-82.8	152.6	-174.8	0	0	0	0	0	111.4
332	T	27.9	Very low	28.9	Very low	139 Å²	139	134.7 Å²	134.7	85%	0.853	81%	0.806	S	S	*	*				-155.4	162	72.4	24.6	0	0	0	0	113.2
333	P	31.3	Very low	29.4	Very low	116 Å²	116	134 Å²	134	75%	0.753	80%	0.802	S	S	*	*			trans	-99.5	145.8	-168.6	37.2	-33.4	0	0	0	114.9
334	I	27.4	Very low	29.5	Very low	164 Å²	164	135 Å²	135	84%	0.841	80%	0.801	S	S	*	*			trans	-134.2	136.3	154.7	-60.3	-178.6	0	0	0	107.1
335	P	28.8	Very low	29.6	Very low	133 Å²	133	137.4 Å²	137.4	86%	0.864	80%	0.795	S	S	*	*			trans	-89.2	143.9	-174.8	1.7	18	0	0	0	112.7
336	G	26.8	Very low	29.8	Very low	76 Å²	76	136.2 Å²	136.2	78%	0.784	78%	0.778	S	S	*	*			trans	-172.4	115	168.9	0	0	0	0	0	110.7
337	D	33.2	Very low	29.7	Very low	159 Å²	159	136.6 Å²	136.6	85%	0.85	77%	0.774	S	S	*	*			trans	-73.3	137.5	179.1	-62	-74.5	0	0	0	112
338	L	29.1	Very low	29.9	Very low	175 Å²	175	139.2 Å²	139.2	92%	0.916	78%	0.777	S	S	*	*			trans	-149.1	151.3	133.7	-88.4	-167.4	0	0	0	109.7
339	L	30	Very low	30.2	Very low	159 Å²	159	138.5 Å²	138.5	83%	0.832	78%	0.775	S	S	*	*			trans	-84.9	155.8	-160.8	-69.3	160.5	0	0	0	113.7
340	R	29.6	Very low	30.8	Very low	257 Å²	257	140.3 Å²	140.3	97%	0.97	77%	0.769	S	S	*	*			trans	-85	111.4	164.6	-73.9	178.1	63.3	-166.4	-1.7	108.8
341	E	32.2	Very low	31	Very low	142 Å²	142	140.7 Å²	140.7	66%	0.664	77%	0.765	S	S	*	*			trans	-121.8	171.1	174.2	-150.8	178.5	157.1	0	0	110.5	E345	E341-E345 HydrophobicContact CG-CG 4.43Å
342	N	32.8	Very low	31.4	Very low	108 Å²	108	142 Å²	142	58%	0.578	76%	0.759	S	S	*	*	S	Bend	trans	84.5	66.3	-167.3	-59	-87.5	0	0	0	116.1
343	T	39.5	Very low	31.8	Very low	114 Å²	114	139.4 Å²	139.4	70%	0.699	75%	0.747	S	S	*	*	S	Bend		-164.5	-36	124.7	-68.1	0	0	0	0	110.5
344	D	30.4	Very low	32.1	Very low	148 Å²	148	141 Å²	141	79%	0.791	75%	0.749	S	S	*	*	S	Bend	trans	-91.7	-11	-159.9	-60.2	-40.1	0	0	0	116.7	V346	D344-V346 PolarHBondContact O-N 3.34Å
345	E	30.1	Very low	32.5	Very low	146 Å²	146	136.2 Å²	136.2	68%	0.682	74%	0.74	S	S	*	*			trans	-74.8	71.4	173.4	-72.6	-60.8	152.7	0	0	111.3	E341	E341-E345 HydrophobicContact CG-CG 4.43Å
346	V	35.9	Very low	32.7	Very low	66 Å²	66	138.7 Å²	138.7	40%	0.4	74%	0.74	S	S	.	*			trans	-108.2	104	169.9	177.8	0	0	0	0	108.3	D344	D344-V346 PolarHBondContact O-N 3.34Å
347	F	27.7	Very low	32.9	Very low	178 Å²	178	142.9 Å²	142.9	78%	0.781	75%	0.745	S	S	*	*			trans	-49.8	128.5	171.8	-75.9	-88.8	0	0	0	110.6	D349	F347-D349 PolarHBondContact O-N 3.19Å
348	P	30.3	Very low	32.6	Very low	129 Å²	129	139.2 Å²	139.2	84%	0.838	74%	0.744	S	S	*	*	S	Bend	trans	-84.4	56.4	-168.7	35.6	-38.3	0	0	0	112.1
349	D	31.6	Very low	32.7	Very low	151 Å²	151	138 Å²	138	81%	0.807	74%	0.737	S	S	*	*			trans	-141.1	40	-169.5	-138.8	5.9	0	0	0	113.7	F347	F347-D349 PolarHBondContact O-N 3.19Å
350	E	39.1	Very low	32.8	Very low	126 Å²	126	136.1 Å²	136.1	59%	0.589	73%	0.734	S	S	*	*			trans	-133.1	94.5	158.2	-70.5	-157.9	122.7	0	0	109.8	R181	R181-E350 IonicContact CZ-OE1 3.92Å; R181-E350 IonicContact NE-OE1 2.72Å; R181-E350 IonicContact NH1-OE1 3.14Å; R181-E350 PolarHBondContact NH1-OE1 2.81Å; R181-E350 IonicContact NH1-OE2 3.9Å; R181-E350 PolarHBondContact NH1-OE2 3.42Å
351	Q	31.4	Very low	32.8	Very low	180 Å²	180	131.3 Å²	131.3	84%	0.841	73%	0.733	S	S	*	*			trans	-59.7	145.5	156.9	-74.4	-176.4	-29.9	0	0	109.2	S353	Q351-S353 PolarHBondContact O-N 2.87Å
352	L	34.8	Very low	32.5	Very low	115 Å²	115	127.6 Å²	127.6	60%	0.602	73%	0.733	S	S	*	*			trans	-61.8	125.9	168.7	-61.8	175.6	0	0	0	108	D354	L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 3.12Å
353	S	35.3	Very low	32.3	Very low	85 Å²	85	129.5 Å²	129.5	59%	0.594	75%	0.748	S	S	*	*	S	Bend	trans	-82.5	64.7	-158	69.8	0	0	0	0	114.6	Q351	Q351-S353 PolarHBondContact O-N 2.87Å
354	D	38.7	Very low	31.8	Very low	150 Å²	150	129.2 Å²	129.2	80%	0.802	75%	0.751	S	S	*	*			trans	-103.1	43.6	164.9	-63.5	-38.1	0	0	0	109.6	L352	L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 3.12Å
355	G	36	Very low	32	Very low	64 Å²	64	128.5 Å²	128.5	66%	0.66	75%	0.754	S	S	*	*			trans	-132.4	-3	-151.8	0	0	0	0	0	118.9
356	E	31.9	Very low	31.9	Very low	185 Å²	185	127.4 Å²	127.4	86%	0.864	75%	0.753	S	S	*	*			trans	-150	104.5	173	-156.6	171.2	167.4	0	0	113
357	N	31.1	Very low	31.6	Very low	164 Å²	164	131.9 Å²	131.9	88%	0.877	77%	0.767	S	S	*	*			trans	-166.4	68	161	-106.9	-25.9	0	0	0	109.5	I359	N357-I359 PolarHBondContact O-N 3.45Å
358	G	26.9	Very low	31.5	Very low	81 Å²	81	130.4 Å²	130.4	84%	0.835	77%	0.767	S	S	*	*			trans	-83.2	105.1	176	0	0	0	0	0	111.8
359	I	32.4	Very low	31.8	Very low	150 Å²	150	130 Å²	130	77%	0.769	76%	0.764	S	S	*	*			trans	-105.7	131.9	168.3	-62.3	-177.9	0	0	0	108.5	N357	N357-I359 PolarHBondContact O-N 3.45Å
360	P	31.1	Very low	31.3	Very low	120 Å²	120	126.3 Å²	126.3	78%	0.779	76%	0.761	S	S	*	*			trans	-71.8	150.2	-178	29.6	-35.7	0	0	0	112.6
361	V	29.9	Very low	30.7	Very low	156 Å²	156	126.4 Å²	126.4	95%	0.945	78%	0.776	S	S	*	*			trans	-73.5	130.2	177.9	176.8	0	0	0	0	110.9
362	G	25.8	Very low	30.7	Very low	64 Å²	64	126.3 Å²	126.3	66%	0.66	78%	0.781	S	S	*	*			trans	-179.3	107.3	170.5	0	0	0	0	0	115.8
363	V	28.1	Very low	30.3	Very low	147 Å²	147	124.2 Å²	124.2	89%	0.891	79%	0.787	S	S	*	*			trans	71.2	129.3	161.2	-169	0	0	0	0	117.7
364	S	29.4	Very low	30.2	Very low	108 Å²	108	129.3 Å²	129.3	76%	0.755	80%	0.801	S	S	*	*			trans	-105.4	158.5	170.1	-50.5	0	0	0	0	111.3
365	P	35.5	Very low	29.7	Very low	133 Å²	133	127.9 Å²	127.9	86%	0.864	80%	0.799	S	S	*	*			trans	-122.7	163.5	135.7	36.7	-29.7	0	0	0	111.6
366	D	27	Very low	29.3	Very low	123 Å²	123	135.8 Å²	135.8	66%	0.658	81%	0.809	S	S	*	*			trans	-141.5	138.7	-170.6	-175.8	28.3	0	0	0	111.4
367	K	30.1	Very low	29.3	Very low	160 Å²	160	133.2 Å²	133.2	70%	0.696	81%	0.809	S	S	*	*			trans	66.6	152.7	174.6	-57.9	-174.4	179.2	70.1	0	117.1
368	L	26	Very low	29.4	Very low	148 Å²	148	134.4 Å²	134.4	78%	0.775	81%	0.809	S	S	*	*			cis	-171.9	-177.6	-13.5	-104.1	175.5	0	0	0	106.6
369	P	35.4	Very low	29.9	Very low	120 Å²	120	139.1 Å²	139.1	78%	0.779	81%	0.809	S	S	*	*			cis	-126.2	177	-21.7	38.7	-23.8	0	0	0	113.5
370	G	22.4	Very low	30.3	Very low	73 Å²	73	139.8 Å²	139.8	75%	0.753	81%	0.807	S	S	*	*			trans	164.5	111.1	160.1	0	0	0	0	0	118.5
371	S	25.5	Very low	31.6	Very low	129 Å²	129	136.2 Å²	136.2	90%	0.902	78%	0.781	S	S	*	*			trans	80.3	148	167.3	-151	0	0	0	0	119.2
372	L	32.3	Very low	32.9	Very low	178 Å²	178	131.6 Å²	131.6	93%	0.932	75%	0.753	S	S	*	*			trans	-102.1	140.1	-175.2	-85.6	72.7	0	0	0	112
373	G	26.5	Very low	34.2	Very low	71 Å²	71	128.8 Å²	128.8	73%	0.732	72%	0.723	S	S	*	*			trans	-162.6	138.4	167.3	0	0	0	0	0	110.7
374	H	31.4	Very low	35.7	Very low	191 Å²	191	128 Å²	128	88%	0.884	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-63.8	127.3	-174.2	-86.7	-95.8	0	0	0	112.9	R376	H374-R376 PolarHBondContact O-N 3.22Å
375	P	29.3	Very low	37	Very low	120 Å²	120	128.4 Å²	128.4	78%	0.779	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-74.8	120.5	163.1	30.4	-31.2	0	0	0	109.8
376	R	26.7	Very low	38	Very low	230 Å²	230	125.2 Å²	125.2	87%	0.868	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-71.2	143.5	162.9	-73.6	-178.7	174.6	171.6	-2.6	109.3	H374 Q378	H374-R376 PolarHBondContact O-N 3.22Å; R376-Q378 PolarHBondContact O-N 3.06Å
377	P	33	Very low	39.4	Very low	132 Å²	132	121.5 Å²	121.5	86%	0.857	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-61.1	129.3	165.6	-17.6	31	0	0	0	109.8
378	Q	32.8	Very low	40.1	Very low	188 Å²	188	116 Å²	116	88%	0.879	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-88.3	123	159.4	-79.8	-172.9	-34.3	0	0	108.4	R376 K380	R376-Q378 PolarHBondContact O-N 3.06Å; Q378-K380 PolarHBondContact O-N 3.33Å
379	E	36.5	Very low	40.8	Very low	180 Å²	180	113.9 Å²	113.9	84%	0.841	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-59.2	131.3	161.7	-70.5	171.5	-155.3	0	0	109.3
380	K	42	Very low	41.2	Very low	165 Å²	165	113.5 Å²	113.5	72%	0.717	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-71.9	143.4	168.5	-77	177.2	176.3	169.5	0	109.4	Q378 V382	Q378-K380 PolarHBondContact O-N 3.33Å; K380-V382 PolarHBondContact O-N 3.11Å
381	D	57.4	Low	41.9	Very low	44 Å²	44	116.8 Å²	116.8	24%	0.235	61%	0.614	C	S	.	*	P	Polyproline II helix	trans	-68.9	127.9	171	-170.8	31	0	0	0	110.1	K69 W383 E384 E385	K69-D381 IonicContact NZ-OD1 1.86Å; K69-D381 PolarHBondContact NZ-OD1 2.77Å; D381-W383 PolarHBondContact O-N 3.07Å; D381-W383 VanDerWaalsContact O-N 3.07Å; D381-W383 WeakPolarHBondContact OD2-CB 3.06Å; D381-E384 HydrophobicContact CB-CG 4.31Å; D381-E384 WeakPolarHBondContact O-CB 3.37Å; D381-E384 PolarHBondContact O-N 3.13Å; D381-E385 PolarHBondContact O-N 3.04Å
382	V	58.3	Low	42.3	Very low	60 Å²	60	118.8 Å²	118.8	36%	0.364	61%	0.607	S	S	.	*	H	α-helix	trans	-52.9	-31.9	179.2	176.7	0	0	0	0	111.2	K380 M386	K380-V382 PolarHBondContact O-N 3.11Å; V382-M386 HydrophobicContact CG1-CG 4.41Å; V382-M386 HydrophobicContact CG1-SD 3.78Å; V382-M386 WeakPolarHBondContact O-CB 3.28Å; V382-M386 WeakPolarHBondContact O-CG 3.37Å; V382-M386 PolarHBondContact O-N 2.79Å
383	W	53.7	Low	42.5	Very low	5 Å²	5	116.9 Å²	116.9	2%	0.019	60%	0.596	C	S	.	*	H	α-helix	trans	-69.7	-42.5	174.5	-66.1	91.1	0	0	0	113.4	K62 V65 R85 N90 D381 E385 M386 D387	K62-W383 HydrophobicContact CB-CD2 4.2Å; K62-W383 HydrophobicContact CB-CE3 4.15Å; K62-W383 HydrophobicContact CB-CH2 4.17Å; K62-W383 HydrophobicContact CB-CZ2 4.25Å; K62-W383 HydrophobicContact CB-CZ3 4.12Å; K62-W383 HydrophobicContact CD-CB 4.24Å; K62-W383 HydrophobicContact CD-CD2 4.09Å; K62-W383 HydrophobicContact CD-CE3 3.89Å; K62-W383 HydrophobicContact CD-CG 4.25Å; K62-W383 HydrophobicContact CG-CB 4.45Å; K62-W383 HydrophobicContact CG-CD2 3.8Å; K62-W383 HydrophobicContact CG-CE3 3.97Å; K62-W383 HydrophobicContact CG-CG 4Å; K62-W383 HydrophobicContact CG-CZ3 4.46Å; V65-W383 HydrophobicContact CG2-CZ2 4.4Å; R85-W383 HydrophobicContact CB-CZ3 4.22Å; N90-W383 HydrophobicContact CB-CH2 4.05Å; D381-W383 PolarHBondContact O-N 3.07Å; D381-W383 VanDerWaalsContact O-N 3.07Å; D381-W383 WeakPolarHBondContact OD2-CB 3.06Å; W383-E385 VanDerWaalsContact C-N 3.34Å; W383-M386 PolarHBondContact O-N 2.91Å; W383-D387 VanDerWaalsContact O-CB 3.23Å; W383-D387 WeakPolarHBondContact O-CB 3.45Å; W383-D387 PolarHBondContact O-N 2.87Å
384	E	57.9	Low	43.1	Very low	131 Å²	131	122.6 Å²	122.6	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-64.5	-40.2	176.1	-67.4	-172.9	159.7	0	0	111.3	D381 A388	D381-E384 HydrophobicContact CB-CG 4.31Å; D381-E384 WeakPolarHBondContact O-CB 3.37Å; D381-E384 PolarHBondContact O-N 3.13Å; E384-A388 WeakPolarHBondContact O-CB 3.11Å; E384-A388 PolarHBondContact O-N 3.47Å
385	E	57.6	Low	43	Very low	115 Å²	115	120.6 Å²	120.6	54%	0.537	60%	0.596	S	S	.	*	H	α-helix	trans	-63.9	-44.4	175.5	-177.1	168.1	-157.1	0	0	111.9	D381 W383 N389	D381-E385 PolarHBondContact O-N 3.04Å; W383-E385 VanDerWaalsContact C-N 3.34Å; E385-N389 WeakPolarHBondContact O-CB 3.21Å; E385-N389 PolarHBondContact O-N 3.45Å
386	M	57.1	Low	42.8	Very low	66 Å²	66	118.7 Å²	118.7	33%	0.325	60%	0.598	S	S	.	*	H	α-helix	trans	-70.3	-39.7	179.1	-71.2	177.8	66.4	0	0	113.1	R85 V382 W383 N389 K390	R85-M386 HydrophobicContact CB-CE 3.83Å; R85-M386 WeakPolarHBondContact O-CE 3.41Å; V382-M386 HydrophobicContact CG1-CG 4.41Å; V382-M386 HydrophobicContact CG1-SD 3.78Å; V382-M386 WeakPolarHBondContact O-CB 3.28Å; V382-M386 WeakPolarHBondContact O-CG 3.37Å; V382-M386 PolarHBondContact O-N 2.79Å; W383-M386 PolarHBondContact O-N 2.91Å; M386-N389 PolarHBondContact O-N 2.84Å; M386-K390 PolarHBondContact O-N 3.34Å
387	D	54.5	Low	43	Very low	45 Å²	45	113.9 Å²	113.9	24%	0.241	59%	0.588	C	S	.	*	H	α-helix	trans	-67.7	-40.5	175.1	-70.3	-27.8	0	0	0	110.1	K62 R85 W383 N389 K390 N391	K62-D387 IonicContact NZ-OD2 2.66Å; K62-D387 PolarHBondContact NZ-OD2 3.38Å; R85-D387 IonicContact NH1-OD1 2.72Å; W383-D387 VanDerWaalsContact O-CB 3.23Å; W383-D387 WeakPolarHBondContact O-CB 3.45Å; W383-D387 PolarHBondContact O-N 2.87Å; D387-N389 PolarHBondContact O-N 3.11Å; D387-K390 PolarHBondContact O-N 3.16Å; D387-N391 PolarHBondContact O-N 3.4Å; D387-N391 VanDerWaalsContact O-N 3.16Å
388	A	44.7	Very low	42.6	Very low	46 Å²	46	113.9 Å²	113.9	38%	0.38	59%	0.59	S	S	.	*	H	α-helix	trans	-65	-34.7	173.3	0	0	0	0	0	113.2	E384 N391 K392	E384-A388 WeakPolarHBondContact O-CB 3.11Å; E384-A388 PolarHBondContact O-N 3.47Å; A388-N391 PolarHBondContact O-N 2.8Å; A388-K392 PolarHBondContact O-N 3.34Å
389	N	41.9	Very low	42.3	Very low	102 Å²	102	114.4 Å²	114.4	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-66.4	-40.4	176.3	-159.4	3.6	0	0	0	111.1	E385 M386 D387 N391 K392	E385-N389 WeakPolarHBondContact O-CB 3.21Å; E385-N389 PolarHBondContact O-N 3.45Å; M386-N389 PolarHBondContact O-N 2.84Å; D387-N389 PolarHBondContact O-N 3.11Å; N389-N391 VanDerWaalsContact C-N 3.32Å; N389-N391 PolarHBondContact O-N 2.86Å; N389-K392 PolarHBondContact O-N 2.79Å; N389-K392 VanDerWaalsContact O-N 3.17Å
390	K	43.3	Very low	41.8	Very low	113 Å²	113	111 Å²	111	49%	0.491	59%	0.592	S	S	.	*	H	α-helix	trans	-62.2	-36.7	171.9	-82.6	-167.7	169	-172.2	0	113	D87 M386 D387 K392 I393	D87-K390 IonicContact OD1-NZ 2.59Å; D87-K390 PolarHBondContact OD1-NZ 3Å; M386-K390 PolarHBondContact O-N 3.34Å; D387-K390 PolarHBondContact O-N 3.16Å; K390-K392 PolarHBondContact O-N 2.68Å; K390-I393 PolarHBondContact O-N 3.28Å
391	N	36.7	Very low	41	Very low	142 Å²	142	107.6 Å²	107.6	76%	0.759	60%	0.595	S	S	*	*	H	α-helix	trans	-69.4	-16	176.6	-74.7	-18.5	0	0	0	114.3	D387 A388 N389	D387-N391 PolarHBondContact O-N 3.4Å; D387-N391 VanDerWaalsContact O-N 3.16Å; A388-N391 PolarHBondContact O-N 2.8Å; N389-N391 VanDerWaalsContact C-N 3.32Å; N389-N391 PolarHBondContact O-N 2.86Å
392	K	34.7	Very low	39.5	Very low	170 Å²	170	111.3 Å²	111.3	74%	0.739	62%	0.619	S	S	*	*	H	α-helix	trans	-82.9	-24.6	175.2	-73.2	178.8	179.1	179.5	0	113.8	A388 N389 K390 K394	A388-K392 PolarHBondContact O-N 3.34Å; N389-K392 PolarHBondContact O-N 2.79Å; N389-K392 VanDerWaalsContact O-N 3.17Å; K390-K392 PolarHBondContact O-N 2.68Å; K392-K394 PolarHBondContact O-N 3.17Å
393	I	37.2	Very low	37.9	Very low	139 Å²	139	117 Å²	117	71%	0.713	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	43.9	-176.4	-42	-179.7	0	0	0	111.7	K390	K390-I393 PolarHBondContact O-N 3.28Å
394	K	37.6	Very low	36.6	Very low	191 Å²	191	125.9 Å²	125.9	83%	0.83	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.9	41.6	172	-139.5	175.4	-175.9	179.1	0	118	K392	K392-K394 PolarHBondContact O-N 3.17Å
395	L	29.5	Very low	35.1	Very low	148 Å²	148	127.8 Å²	127.8	78%	0.775	69%	0.692	S	S	*	*			trans	-138.7	73.2	165.4	-153.5	75.6	0	0	0	114	I397	L395-I397 HydrophobicContact CD1-CD1 4.29Å; L395-I397 HydrophobicContact CG-CD1 4.33Å; L395-I397 HydrophobicContact CG-CG1 4.43Å
396	G	25.8	Very low	33.5	Very low	80 Å²	80	128.1 Å²	128.1	83%	0.825	70%	0.697	S	S	*	*			trans	-98.9	85.8	170.4	0	0	0	0	0	111.9
397	I	30.2	Very low	32.1	Very low	130 Å²	130	129.1 Å²	129.1	67%	0.667	71%	0.711	S	S	*	*			trans	-94.1	106.1	174	-61.7	174.2	0	0	0	109	L395 K399	L395-I397 HydrophobicContact CD1-CD1 4.29Å; L395-I397 HydrophobicContact CG-CD1 4.33Å; L395-I397 HydrophobicContact CG-CG1 4.43Å; I397-K399 HydrophobicContact CG2-CG 4.44Å; I397-K399 PolarHBondContact O-N 3.25Å
398	C	25	Very low	30.7	Very low	132 Å²	132	136.6 Å²	136.6	89%	0.892	74%	0.744	S	S	*	*			trans	-80.4	108	166.1	-67.9	0	0	0	0	109.4
399	K	26.7	Very low	29.8	Very low	199 Å²	199	138.2 Å²	138.2	87%	0.865	77%	0.766	S	S	*	*			trans	-107.4	132.3	158.1	-90.9	-171.4	172.5	-175.7	0	108.4	I397	I397-K399 HydrophobicContact CG2-CG 4.44Å; I397-K399 PolarHBondContact O-N 3.25Å
400	A	25.3	Very low	28.9	Very low	108 Å²	108	142.5 Å²	142.5	89%	0.893	78%	0.783	S	S	*	*			trans	-131.2	131	167.3	0	0	0	0	0	109.6
401	A	25.2	Very low	28	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	79%	0.792	S	S	*	*			trans	-146.8	158.8	160.2	0	0	0	0	0	104
402	T	26.1	Very low	27.6	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	80%	0.799	S	S	*	*			cis	-112.4	-163.2	15.8	37	0	0	0	0	109.8
403	E	24.9	Very low	27.3	Very low	180 Å²	180	137.9 Å²	137.9	84%	0.841	80%	0.8	S	S	*	*			cis	-147.8	169.9	34.4	-72.6	174.4	163.5	0	0	114.4
404	E	27.6	Very low	26.7	Very low	190 Å²	190	138.9 Å²	138.9	89%	0.888	81%	0.806	S	S	*	*			trans	-67.3	147.2	-173.1	-56.7	175.2	112.2	0	0	115
405	E	24.6	Very low	26.4	Very low	171 Å²	171	136.4 Å²	136.4	80%	0.799	80%	0.801	S	S	*	*			trans	-156	146.1	133.6	-133.4	-158.7	106.4	0	0	113.4
406	N	25.8	Very low	26.4	Very low	122 Å²	122	134.7 Å²	134.7	65%	0.652	79%	0.793	S	S	*	*			trans	23.9	103.5	157.9	-72.6	-42.4	0	0	0	122.8
407	S	26.5	Very low	26.6	Very low	88 Å²	88	134.1 Å²	134.1	62%	0.615	78%	0.78	S	S	*	*				27.8	126.3	118.3	52.3	0	0	0	0	122.6
408	H	25.7	Very low	26.7	Very low	201 Å²	201	131.5 Å²	131.5	93%	0.931	78%	0.778	S	S	*	*			trans	57.1	100.9	140.3	-75.6	46.5	0	0	0	119.5
409	G	24.7	Very low	26.9	Very low	81 Å²	81	129.7 Å²	129.7	84%	0.835	77%	0.767	S	S	*	*			trans	-165.2	131.1	168.6	0	0	0	0	0	116.3
410	Q	24.7	Very low	27.1	Very low	192 Å²	192	125.9 Å²	125.9	90%	0.897	76%	0.755	S	S	*	*			trans	-57.4	143.9	-174	-65.8	165.9	-22.6	0	0	118.6
411	A	24.1	Very low	27.2	Very low	83 Å²	83	123.7 Å²	123.7	69%	0.686	74%	0.744	S	S	*	*				57.1	135	129	0	0	0	0	0	124.2
412	N	27.1	Very low	27.3	Very low	170 Å²	170	125 Å²	125	91%	0.909	75%	0.747	S	S	*	*			trans	71.2	153.9	152.8	-62.5	-29.4	0	0	0	119.6
413	G	28.2	Very low	27.9	Very low	74 Å²	74	124.2 Å²	124.2	76%	0.763	74%	0.744	S	S	*	*			trans	96.1	100.1	-177.5	0	0	0	0	0	111.8
414	L	25.1	Very low	28	Very low	160 Å²	160	121.7 Å²	121.7	84%	0.838	74%	0.74	S	S	*	*			cis	69.2	105.3	49.5	-163.6	93	0	0	0	113.6
415	L	30.6	Very low	27.9	Very low	139 Å²	139	123.3 Å²	123.3	73%	0.728	74%	0.738	S	S	*	*				178.5	134.9	128.4	-94.3	163.6	0	0	0	111
416	N	31.4	Very low	27.9	Very low	112 Å²	112	121.3 Å²	121.3	60%	0.599	74%	0.738	S	S	*	*			trans	30.1	148.4	144.2	-56.5	-2.6	0	0	0	121.2
417	A	29.8	Very low	27.8	Very low	68 Å²	68	126.3 Å²	126.3	56%	0.562	75%	0.748	S	S	*	*			cis	-169.1	169	-13.7	0	0	0	0	0	106.3	P1238	A417-P1238 WeakPolarHBondContact CB-O 3.07Å
418	A	30.9	Very low	27.8	Very low	76 Å²	76	127 Å²	127	63%	0.628	75%	0.752	S	S	*	*			cis	-148.3	165.9	16.4	0	0	0	0	0	113.4
419	S	30.4	Very low	27.9	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	75%	0.745	S	S	*	*			trans	43.8	107.2	153	-138.1	0	0	0	0	119.2
420	L	30.5	Very low	28.1	Very low	119 Å²	119	128.4 Å²	128.4	62%	0.623	74%	0.74	S	S	*	*				47.7	111.3	72.6	-49.8	167.8	0	0	0	111.9
421	G	26.6	Very low	28.3	Very low	63 Å²	63	125 Å²	125	65%	0.649	73%	0.733	S	S	*	*			cis	101.1	137.5	-1.1	0	0	0	0	0	114.7
422	S	28.3	Very low	28.5	Very low	120 Å²	120	128 Å²	128	84%	0.839	73%	0.733	S	S	*	*			trans	77.2	166	158.6	-52.2	0	0	0	0	117.5
423	P	39	Very low	29.5	Very low	107 Å²	107	125.5 Å²	125.5	70%	0.695	73%	0.726	S	S	*	*			cis	-140	169.7	-49.3	39.4	-25	0	0	0	114.4
424	V	27.4	Very low	29.3	Very low	126 Å²	126	127.3 Å²	127.3	76%	0.764	72%	0.718	S	S	*	*			trans	54.2	132.8	140.2	171	0	0	0	0	120.8
425	R	24.9	Very low	29.5	Very low	224 Å²	224	128.7 Å²	128.7	85%	0.845	71%	0.712	S	S	*	*			trans	80.4	113.6	160.4	-86.9	174.7	178.1	164.8	1.4	120.6
426	V	24.1	Very low	29.3	Very low	129 Å²	129	128.3 Å²	128.3	78%	0.782	71%	0.711	S	S	*	*				55.1	94	119.9	-174.2	0	0	0	0	118.7
427	R	23.6	Very low	29	Very low	228 Å²	228	130.5 Å²	130.5	86%	0.86	72%	0.721	S	S	*	*				68.5	150.7	126.1	-149.9	177.3	-169.1	175.6	4.9	120.7
428	S	27.9	Very low	29.6	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	73%	0.726	S	S	*	*			trans	72.7	146.5	160	28.6	0	0	0	0	118.5
429	E	27.5	Very low	29.6	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	73%	0.733	S	S	*	*			cis	-172	-176.5	-23.5	-155	152.5	-149	0	0	109.9
430	I	28.8	Very low	29.8	Very low	142 Å²	142	137 Å²	137	73%	0.728	74%	0.737	S	S	*	*			trans	76.7	136.6	163.4	-58.8	149.6	0	0	0	113.8
431	T	28.5	Very low	29.9	Very low	121 Å²	121	140.7 Å²	140.7	74%	0.742	74%	0.743	S	S	*	*			cis	-141.6	125.1	29.5	-20.7	0	0	0	0	108.2
432	Q	29.1	Very low	30	Very low	145 Å²	145	145.4 Å²	145.4	68%	0.678	75%	0.745	S	S	*	*				59.7	154.3	88.7	-61	-70.5	-0.3	0	0	115.3
433	P	47.1	Very low	30	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	75%	0.747	S	S	*	*			cis	-126.5	178.5	10.4	45.8	-32.1	0	0	0	113.7
434	D	24.6	Very low	29.7	Very low	111 Å²	111	148.5 Å²	148.5	59%	0.594	74%	0.736	S	S	*	*			cis	-144.9	168.9	-15.1	-149	-14	0	0	0	109.2
435	R	29.1	Very low	29.9	Very low	189 Å²	189	145.2 Å²	145.2	71%	0.713	72%	0.719	S	S	*	*			trans	15.1	146.6	153.5	-74.9	155.3	-159.7	-85.8	0.6	122.3
436	D	26.3	Very low	30.3	Very low	132 Å²	132	141.1 Å²	141.1	71%	0.706	71%	0.713	S	S	*	*			cis	-149	169.2	14.8	-114.5	-39.6	0	0	0	113
437	I	24.5	Very low	30.4	Very low	158 Å²	158	143.6 Å²	143.6	81%	0.81	72%	0.715	S	S	*	*			trans	-118.2	-175.6	176.3	1.9	174.1	0	0	0	108
438	P	43.5	Very low	30.6	Very low	102 Å²	102	137.6 Å²	137.6	66%	0.662	71%	0.708	S	S	*	*			cis	-149.2	-171	16.3	48.1	-28.1	0	0	0	118.4
439	L	30	Very low	30.6	Very low	147 Å²	147	140.9 Å²	140.9	77%	0.77	71%	0.71	S	S	*	*			trans	80.3	124.8	144	-78.5	-177.2	0	0	0	123.2
440	V	34.8	Very low	30.6	Very low	123 Å²	123	139.1 Å²	139.1	75%	0.745	70%	0.702	S	S	*	*			trans	-81.4	141.1	160	175.8	0	0	0	0	111.3
441	R	31.5	Very low	30.6	Very low	198 Å²	198	139 Å²	139	75%	0.747	70%	0.702	S	S	*	*			trans	180	120.2	138.4	-101.2	165.3	-156.5	89.9	-13.1	115.7
442	K	30.3	Very low	30.5	Very low	161 Å²	161	140.4 Å²	140.4	70%	0.7	70%	0.7	S	S	*	*				60.5	122.2	115.6	-166	174.2	-170.1	164.5	0	120.2
443	L	27	Very low	30.3	Very low	166 Å²	166	141 Å²	141	87%	0.869	70%	0.7	S	S	*	*			trans	-116.3	167.3	153.9	-95.3	171.5	0	0	0	112
444	R	32.4	Very low	29.5	Very low	126 Å²	126	147 Å²	147	48%	0.475	71%	0.708	S	S	.	*			trans	-167.8	151.5	-168.9	-173.8	-140.5	-106.3	122.7	-17.6	109.6	S1190	R444-S1190 PolarHBondContact NH1-OG 2.71Å
445	S	31.8	Very low	29.5	Very low	58 Å²	58	149.1 Å²	149.1	41%	0.406	72%	0.719	S	S	.	*			trans	74.2	156.6	163.8	-68	0	0	0	0	116.2	P1191	S445-P1191 WeakPolarHBondContact OG-CD 3.07Å
446	I	34.3	Very low	29.3	Very low	137 Å²	137	147.2 Å²	147.2	70%	0.703	73%	0.728	S	S	*	*			cis	169.1	143.5	-29.2	-104	160.4	0	0	0	104.4
447	H	25.8	Very low	29.4	Very low	181 Å²	181	148.5 Å²	148.5	84%	0.838	73%	0.734	S	S	*	*			trans	-165.4	170.3	132.9	-112.2	-80.4	0	0	0	110.9
448	S	28.2	Very low	29.6	Very low	102 Å²	102	149.6 Å²	149.6	71%	0.713	74%	0.736	S	S	*	*			trans	-158.5	-162.6	-166.3	-168	0	0	0	0	109.8
449	F	27.8	Very low	29.2	Very low	170 Å²	170	149.8 Å²	149.8	75%	0.746	74%	0.737	S	S	*	*			trans	79.7	143.2	-175.2	-72	-102.9	0	0	0	114.6
450	E	26.6	Very low	29.5	Very low	133 Å²	133	151.9 Å²	151.9	62%	0.621	74%	0.74	S	S	*	*			cis	-161.8	119.8	-9.6	-171.5	82.6	-71.2	0	0	105.1
451	L	28.6	Very low	29.5	Very low	141 Å²	141	152.3 Å²	152.3	74%	0.738	75%	0.745	S	S	*	*				74	108.6	66.9	-145.7	-175.2	0	0	0	115.1
452	E	26.6	Very low	29.9	Very low	149 Å²	149	148.9 Å²	148.9	70%	0.696	74%	0.742	S	S	*	*			trans	-155.2	167.9	140.1	-117.6	-137.4	131.9	0	0	116
453	K	25.1	Very low	30.5	Very low	157 Å²	157	146.7 Å²	146.7	68%	0.683	74%	0.742	S	S	*	*			trans	-43.3	161.1	-175.3	-60.7	176.3	-172.2	118.1	0	116.2
454	R	29.7	Very low	31.3	Very low	245 Å²	245	144.4 Å²	144.4	93%	0.925	73%	0.731	S	S	*	*			cis	-145	169.7	43.6	-71.4	176.8	179.7	176.5	0.5	115.1
455	L	24.9	Very low	32	Very low	157 Å²	157	145.7 Å²	145.7	82%	0.822	74%	0.74	S	S	*	*			trans	-97.1	154	-175.6	-44.7	100.8	0	0	0	113
456	T	26	Very low	32.3	Very low	148 Å²	148	150.2 Å²	150.2	91%	0.908	75%	0.752	S	S	*	*				-154.1	162.7	127.3	15.1	0	0	0	0	110.2
457	L	28.8	Very low	32.9	Very low	160 Å²	160	149.7 Å²	149.7	84%	0.838	75%	0.75	S	S	*	*			trans	-99.2	160.4	-177.1	-65.2	159.9	0	0	0	111.1
458	E	27.7	Very low	33.7	Very low	180 Å²	180	147.2 Å²	147.2	84%	0.841	74%	0.739	S	S	*	*			trans	-166.1	159.9	134.4	-94.9	-42.7	88.1	0	0	110
459	P	35.9	Very low	34.4	Very low	107 Å²	107	146.2 Å²	146.2	70%	0.695	73%	0.729	S	S	*	*			trans	-95.2	177.9	-167.6	37.9	-36	0	0	0	115.2
460	K	35.1	Very low	35.1	Very low	190 Å²	190	141.3 Å²	141.3	83%	0.826	72%	0.715	S	S	*	*			trans	-70.3	150.8	174.1	-62.4	174.1	-177.8	172.5	0	111.7
461	P	36.2	Very low	35.9	Very low	133 Å²	133	141.2 Å²	141.2	86%	0.864	72%	0.718	S	S	*	*			trans	-67.6	145.9	162.2	31.2	-34.4	0	0	0	110.7
462	D	39.5	Very low	36.5	Very low	126 Å²	126	141.1 Å²	141.1	67%	0.674	71%	0.714	S	S	*	*			trans	-105.7	148.2	-174.8	-152.2	-14.4	0	0	0	111.8
463	T	42.3	Very low	37.1	Very low	114 Å²	114	141.8 Å²	141.8	70%	0.699	71%	0.714	S	S	*	*	S	Bend	trans	-78.7	-26.6	-166	-4.3	0	0	0	0	114.1	K465 F466	T463-K465 VanDerWaalsContact C-N 3.32Å; T463-K465 PolarHBondContact O-N 2.81Å; T463-F466 PolarHBondContact O-N 2.81Å
464	D	44.2	Very low	37.9	Very low	118 Å²	118	142.1 Å²	142.1	63%	0.631	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-18.5	-165.9	-66.6	-18.6	0	0	0	113.9	F466 L467	D464-F466 VanDerWaalsContact C-N 3.25Å; D464-F466 PolarHBondContact O-N 3.42Å; D464-L467 PolarHBondContact O-N 2.81Å
465	K	46.4	Very low	38.2	Very low	153 Å²	153	138.5 Å²	138.5	67%	0.665	71%	0.714	S	S	*	*	H	α-helix	trans	-68.9	-17.3	177.8	-72.2	-164.5	170.8	-169.2	0	114.7	T463 T469	T463-K465 VanDerWaalsContact C-N 3.32Å; T463-K465 PolarHBondContact O-N 2.81Å; K465-T469 WeakPolarHBondContact O-CB 3.37Å; K465-T469 PolarHBondContact O-N 2.75Å; K465-T469 PolarHBondContact O-OG1 3Å
466	F	39	Very low	38.7	Very low	154 Å²	154	139.6 Å²	139.6	68%	0.675	71%	0.712	S	S	*	*	H	α-helix	trans	-73.5	-37.1	178.8	-160.4	-95.4	0	0	0	112.2	T463 D464 C470	T463-F466 PolarHBondContact O-N 2.81Å; D464-F466 VanDerWaalsContact C-N 3.25Å; D464-F466 PolarHBondContact O-N 3.42Å; F466-C470 PolarHBondContact O-N 3.17Å; F466-C470 VanDerWaalsContact O-N 3.17Å
467	L	45.7	Very low	39	Very low	126 Å²	126	139.7 Å²	139.7	66%	0.66	71%	0.707	S	S	*	*	H	α-helix	trans	-71.3	-37.7	177.9	-71	170.7	0	0	0	112	D464 C470 L471	D464-L467 PolarHBondContact O-N 2.81Å; L467-C470 PolarHBondContact O-N 3.05Å; L467-L471 PolarHBondContact O-N 3.1Å
468	E	43.7	Very low	39.3	Very low	129 Å²	129	137.9 Å²	137.9	60%	0.603	70%	0.703	S	S	*	*	H	α-helix	trans	-62.5	-44.2	174.9	-156	165.6	-135.6	0	0	111	C470 L471 E472	E468-C470 VanDerWaalsContact C-N 3.32Å; E468-C470 PolarHBondContact O-N 3.28Å; E468-L471 PolarHBondContact O-N 2.98Å; E468-E472 PolarHBondContact O-N 2.71Å; E468-E472 VanDerWaalsContact O-N 3.09Å
469	T	42.4	Very low	39.3	Very low	81 Å²	81	134.9 Å²	134.9	50%	0.497	70%	0.702	S	S	.	*	H	α-helix	trans	-63.3	-32.9	176.1	-53.2	0	0	0	0	113	K465 K473	K465-T469 WeakPolarHBondContact O-CB 3.37Å; K465-T469 PolarHBondContact O-N 2.75Å; K465-T469 PolarHBondContact O-OG1 3Å; T469-K473 PolarHBondContact O-N 2.92Å
470	C	42.5	Very low	38.9	Very low	67 Å²	67	135 Å²	135	45%	0.453	71%	0.712	S	S	.	*	H	α-helix	trans	-74	-30.5	176.1	-78.3	0	0	0	0	113.3	F466 L467 E468	F466-C470 PolarHBondContact O-N 3.17Å; F466-C470 VanDerWaalsContact O-N 3.17Å; L467-C470 PolarHBondContact O-N 3.05Å; E468-C470 VanDerWaalsContact C-N 3.32Å; E468-C470 PolarHBondContact O-N 3.28Å
471	L	44.6	Very low	38.5	Very low	131 Å²	131	129.4 Å²	129.4	69%	0.686	71%	0.707	S	S	*	*	H	α-helix	trans	-74.9	-43.5	175.8	-90.2	156.1	0	0	0	111.9	L467 E468 K473 M474	L467-L471 PolarHBondContact O-N 3.1Å; E468-L471 PolarHBondContact O-N 2.98Å; L471-K473 PolarHBondContact O-N 2.75Å; L471-M474 PolarHBondContact O-N 2.96Å; L471-M474 VanDerWaalsContact O-N 3.16Å
472	E	39.6	Very low	38.1	Very low	138 Å²	138	132.4 Å²	132.4	65%	0.645	71%	0.707	S	S	*	*	H	α-helix	trans	-59	-32.4	173.3	-74.9	-162.5	116.9	0	0	112.4	E468 M474 Q475	E468-E472 PolarHBondContact O-N 2.71Å; E468-E472 VanDerWaalsContact O-N 3.09Å; E472-M474 VanDerWaalsContact C-N 3.27Å; E472-M474 PolarHBondContact O-N 3.39Å; E472-Q475 PolarHBondContact O-N 3.41Å; E472-Q475 VanDerWaalsContact O-N 3.1Å
473	K	39.9	Very low	37.5	Very low	163 Å²	163	135 Å²	135	71%	0.709	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-11.2	-179.8	-122.9	-178.8	-179.6	-175.5	0	115.2	T469 L471	T469-K473 PolarHBondContact O-N 2.92Å; L471-K473 PolarHBondContact O-N 2.75Å
474	M	41.1	Very low	36.8	Very low	164 Å²	164	134.5 Å²	134.5	81%	0.808	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	2.8	169.2	-69.7	-81.3	81.9	0	0	112.9	L471 E472	L471-M474 PolarHBondContact O-N 2.96Å; L471-M474 VanDerWaalsContact O-N 3.16Å; E472-M474 VanDerWaalsContact C-N 3.27Å; E472-M474 PolarHBondContact O-N 3.39Å
475	Q	37.6	Very low	35.9	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	73%	0.725	S	S	*	*	S	Bend	trans	-116.1	18.9	178.7	-152.4	168.3	17.7	0	0	112.7	E472	E472-Q475 PolarHBondContact O-N 3.41Å; E472-Q475 VanDerWaalsContact O-N 3.1Å
476	K	35.3	Very low	34.8	Very low	180 Å²	180	136.6 Å²	136.6	78%	0.783	73%	0.732	S	S	*	*	S	Bend	trans	-131.9	18	-174.2	-148.9	170.4	-177.2	171.1	0	116.3
477	D	32.2	Very low	35.1	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	74%	0.737	S	S	*	*	S	Bend	trans	-109.8	33.7	164.3	-81.1	-49.9	0	0	0	111.4
478	T	34.1	Very low	34.4	Very low	122 Å²	122	132.7 Å²	132.7	75%	0.748	74%	0.737	S	S	*	*	S	Bend	trans	-148.3	134.7	172.1	-52.3	0	0	0	0	111.1
479	S	28.5	Very low	33.8	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	75%	0.746	S	S	*	*			trans	70.7	89	173.2	68.6	0	0	0	0	119
480	A	26.4	Very low	33.1	Very low	110 Å²	110	136.5 Å²	136.5	91%	0.909	76%	0.757	S	S	*	*			trans	-157.2	117.1	138.2	0	0	0	0	0	109.3
481	G	26.8	Very low	32.5	Very low	71 Å²	71	141.9 Å²	141.9	73%	0.732	78%	0.775	S	S	*	*			cis	168.6	157.9	-11.7	0	0	0	0	0	111.9
482	K	27.2	Very low	31.7	Very low	196 Å²	196	145.2 Å²	145.2	85%	0.852	78%	0.784	S	S	*	*			trans	-170.8	122.6	146.3	-107.8	169.9	-174.9	-178	0	112.3
483	E	28.8	Very low	32	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	79%	0.787	S	S	*	*			trans	5	150.7	130.7	-67.2	168.4	147.5	0	0	118.8
484	S	27.2	Very low	31.2	Very low	103 Å²	103	142 Å²	142	72%	0.72	79%	0.793	S	S	*	*			cis	-168.4	152.8	-2.8	175.9	0	0	0	0	107.9
485	I	24.4	Very low	30.4	Very low	158 Å²	158	140.7 Å²	140.7	81%	0.81	79%	0.794	S	S	*	*				-179.1	150.9	101.8	-87.5	164.5	0	0	0	109.7
486	L	24.4	Very low	30.9	Very low	157 Å²	157	137.9 Å²	137.9	82%	0.822	79%	0.79	S	S	*	*			trans	-113.6	173.1	178.3	-90.1	172.4	0	0	0	110.3
487	P	45.1	Very low	30.9	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	79%	0.789	S	S	*	*			cis	-142.8	-163.5	33.1	43	-19.4	0	0	0	114.4
488	A	30.2	Very low	30.7	Very low	80 Å²	80	133.1 Å²	133.1	66%	0.661	79%	0.791	S	S	*	*			cis	-161.5	163.4	12.5	0	0	0	0	0	116.2
489	L	30.5	Very low	30.6	Very low	154 Å²	154	132 Å²	132	81%	0.806	79%	0.788	S	S	*	*			trans	79.8	110.7	142	-103.6	77.1	0	0	0	125.1
490	L	28.8	Very low	30.7	Very low	136 Å²	136	137.2 Å²	137.2	71%	0.712	79%	0.79	S	S	*	*				116.4	92.6	108.7	-144	77.6	0	0	0	123.5
491	H	29.3	Very low	30.9	Very low	180 Å²	180	137.1 Å²	137.1	83%	0.833	78%	0.778	S	S	*	*			trans	82.5	165.1	136.1	-75.7	-137.1	0	0	0	124.4
492	K	27.3	Very low	31.1	Very low	200 Å²	200	139.9 Å²	139.9	87%	0.87	78%	0.776	S	S	*	*			trans	-119.3	-164.7	-165.8	-50	179.5	178.3	179.1	0	111
493	P	46.8	Very low	31.5	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	77%	0.769	S	S	*	*			cis	-147.8	-173.7	-0.9	45	-24.3	0	0	0	119.9
494	C	23.2	Very low	31.4	Very low	122 Å²	122	136.2 Å²	136.2	82%	0.824	77%	0.765	S	S	*	*			trans	93.4	156.4	145.6	-77.6	0	0	0	0	124.8
495	V	25	Very low	31.4	Very low	137 Å²	137	141.1 Å²	141.1	83%	0.83	77%	0.768	S	S	*	*			trans	-161.1	-166.2	-167.5	-66.3	0	0	0	0	109.4
496	P	48.1	Very low	31.8	Very low	111 Å²	111	140.3 Å²	140.3	72%	0.721	76%	0.76	S	S	*	*			cis	-143.8	-178.6	-7.1	44.6	-25.2	0	0	0	119
497	A	33.9	Very low	32	Very low	91 Å²	91	141.7 Å²	141.7	75%	0.752	76%	0.756	S	S	*	*			trans	68.1	154.1	142.6	0	0	0	0	0	125.6
498	V	28.4	Very low	31.4	Very low	139 Å²	139	141.3 Å²	141.3	84%	0.842	75%	0.747	S	S	*	*				165.3	123.6	126.5	159.7	0	0	0	0	117.8
499	S	32.1	Very low	31.5	Very low	100 Å²	100	145.9 Å²	145.9	70%	0.699	76%	0.755	S	S	*	*			trans	17.1	141.9	153	81.3	0	0	0	0	131.7
500	R	30.3	Very low	31.6	Very low	225 Å²	225	145.7 Å²	145.7	85%	0.849	75%	0.75	S	S	*	*				95.6	123	117.6	-95.2	-171	172.3	173.1	-2.2	128.4
501	T	31.5	Very low	31.4	Very low	108 Å²	108	148.6 Å²	148.6	66%	0.663	75%	0.753	S	S	*	*			trans	67.5	111.7	132.9	50.1	0	0	0	0	128
502	D	31.2	Very low	31.5	Very low	129 Å²	129	147.5 Å²	147.5	69%	0.69	75%	0.752	S	S	*	*				81.8	133.7	117.5	-82.4	-57.8	0	0	0	130
503	H	33.8	Very low	32.2	Very low	153 Å²	153	143.4 Å²	143.4	71%	0.708	75%	0.746	S	S	*	*			trans	83.5	121.2	145.2	-63.4	3	0	0	0	125.7
504	I	27.6	Very low	31.3	Very low	148 Å²	148	145.1 Å²	145.1	76%	0.759	75%	0.749	S	S	*	*			trans	75.2	152.2	137.3	-63.9	172.5	0	0	0	120.4
505	W	27.4	Very low	31.5	Very low	205 Å²	205	144.7 Å²	144.7	78%	0.777	74%	0.743	S	S	*	*			cis	-175.7	157.6	-44.4	-102.3	143.8	0	0	0	114.3
506	H	32.7	Very low	31.8	Very low	141 Å²	141	144 Å²	144	65%	0.653	74%	0.744	S	S	*	*			trans	67.4	166.5	152.3	-61.5	-34.4	0	0	0	121.8
507	Y	29.3	Very low	30.9	Very low	187 Å²	187	148.2 Å²	148.2	73%	0.733	75%	0.751	S	S	*	*			cis	-143.5	-130.5	4.2	-152.2	-117.8	0	0	0	117.1
508	D	31.9	Very low	31.1	Very low	111 Å²	111	149.7 Å²	149.7	59%	0.594	75%	0.753	S	S	*	*			trans	-124.2	-178.9	-153.5	-77	-1.4	0	0	0	119.3
509	E	31.9	Very low	30.9	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	75%	0.75	S	S	*	*			trans	90.6	142.9	158.5	-73.1	-164.1	-177.3	0	0	121
510	E	33.1	Very low	30.6	Very low	150 Å²	150	148 Å²	148	70%	0.701	75%	0.753	S	S	*	*			cis	-164.3	-169.4	-11.7	-137.9	-157.2	179.5	0	0	115.3
511	Y	25.1	Very low	30.4	Very low	197 Å²	197	141.3 Å²	141.3	77%	0.773	75%	0.746	S	S	*	*			trans	100.7	146.9	154.4	-105.9	-92.3	0	0	0	125.7
512	L	30.4	Very low	29.9	Very low	156 Å²	156	143.9 Å²	143.9	82%	0.817	76%	0.755	S	S	*	*			trans	-147.8	-154	-171.1	-58.8	175.1	0	0	0	110.7
513	P	42.8	Very low	29.8	Very low	114 Å²	114	143.8 Å²	143.8	74%	0.74	76%	0.76	S	S	*	*			cis	-143.1	-173.9	-13.9	45.2	-25.7	0	0	0	118.3
514	D	26.9	Very low	30.2	Very low	147 Å²	147	141.5 Å²	141.5	79%	0.786	76%	0.758	S	S	*	*			trans	79.6	158.1	142.7	-158.9	37.6	0	0	0	125.6
515	V	27	Very low	30	Very low	113 Å²	113	141.2 Å²	141.2	69%	0.685	75%	0.754	S	S	*	*			trans	132.7	128.9	138.3	172.7	0	0	0	0	119.9
516	S	31.5	Very low	30	Very low	122 Å²	122	138.8 Å²	138.8	85%	0.853	75%	0.751	S	S	*	*			trans	120.6	162.5	143.1	74.9	0	0	0	0	123.4
517	K	29.2	Very low	29.6	Very low	200 Å²	200	136.3 Å²	136.3	87%	0.87	76%	0.755	S	S	*	*			trans	-153.3	154.5	-169.9	-126.5	-177.9	-173.4	177.8	0	108.4
518	P	38.5	Very low	29.5	Very low	122 Å²	122	135.2 Å²	135.2	79%	0.792	76%	0.762	S	S	*	*				-164	177.5	98.5	42.3	-21.3	0	0	0	118.9
519	A	24.8	Very low	29.1	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	77%	0.768	S	S	*	*			trans	39.2	152.5	143.6	0	0	0	0	0	124.2
520	S	24.7	Very low	28.8	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	77%	0.769	S	S	*	*			cis	-172	148.7	-14	53.4	0	0	0	0	114
521	A	26.2	Very low	28.4	Very low	84 Å²	84	125.5 Å²	125.5	69%	0.694	78%	0.775	S	S	*	*			trans	55.2	120.5	147.6	0	0	0	0	0	123.6
522	N	22.8	Very low	28.5	Very low	161 Å²	161	121 Å²	121	86%	0.861	77%	0.773	S	S	*	*				-174	157	104	-93.1	-28.3	0	0	0	114.2
523	T	27.4	Very low	28.3	Very low	128 Å²	128	120.9 Å²	120.9	79%	0.785	77%	0.773	S	S	*	*			trans	-83.3	171.7	-177.7	18.5	0	0	0	0	113.5
524	P	43.2	Very low	27.6	Very low	104 Å²	104	119.3 Å²	119.3	68%	0.675	78%	0.777	S	S	*	*			cis	-121.7	-147.9	23.6	31.9	-7.2	0	0	0	112.9
525	E	24.2	Very low	27.6	Very low	142 Å²	142	122 Å²	122	66%	0.664	78%	0.782	S	S	*	*			cis	-160.1	179.4	13.3	-162	43.1	-80.1	0	0	113.7
526	Q	26.1	Very low	27.6	Very low	155 Å²	155	124.4 Å²	124.4	72%	0.724	79%	0.79	S	S	*	*			trans	-49.4	148.7	175.8	-71.6	149.8	65.7	0	0	115.4
527	A	25.1	Very low	27.3	Very low	89 Å²	89	123 Å²	123	74%	0.736	79%	0.786	S	S	*	*			cis	76.1	155.2	39.2	0	0	0	0	0	113.3
528	D	25.9	Very low	27.2	Very low	163 Å²	163	120.3 Å²	120.3	87%	0.872	79%	0.786	S	S	*	*			cis	-156.5	169.5	9.3	-162	3.5	0	0	0	111.9
529	G	25.2	Very low	26.7	Very low	70 Å²	70	121.9 Å²	121.9	72%	0.722	79%	0.788	S	S	*	*			trans	75.3	168.2	156.9	0	0	0	0	0	119.2
530	G	24.9	Very low	26.8	Very low	82 Å²	82	125.7 Å²	125.7	85%	0.845	79%	0.794	S	S	*	*			cis	153	102.1	-11.2	0	0	0	0	0	115.4
531	G	25.4	Very low	26.8	Very low	81 Å²	81	125.9 Å²	125.9	84%	0.835	80%	0.795	S	S	*	*			trans	78	176	170.6	0	0	0	0	0	116.2
532	S	26.6	Very low	26.8	Very low	102 Å²	102	126.8 Å²	126.8	71%	0.713	80%	0.796	S	S	*	*			cis	-159.3	161.2	-12.8	74.6	0	0	0	0	112.3
533	N	26.9	Very low	26.9	Very low	154 Å²	154	124.3 Å²	124.3	82%	0.824	79%	0.79	S	S	*	*			trans	43.9	131.6	146.5	-60.1	-15.7	0	0	0	122.4
534	G	26.7	Very low	26.8	Very low	81 Å²	81	128.1 Å²	128.1	84%	0.835	80%	0.796	S	S	*	*			trans	-174.8	83.8	164.4	0	0	0	0	0	114
535	F	26.5	Very low	26.1	Very low	203 Å²	203	131.7 Å²	131.7	89%	0.89	80%	0.804	S	S	*	*			trans	-84	151.3	171.6	-81.3	-97.3	0	0	0	111.7
536	I	28	Very low	26.1	Very low	164 Å²	164	133.8 Å²	133.8	84%	0.841	81%	0.813	S	S	*	*				-167.4	146.7	122.9	-99.8	155.3	0	0	0	109.1
537	A	25.8	Very low	26.4	Very low	93 Å²	93	133.8 Å²	133.8	77%	0.769	82%	0.817	S	S	*	*			trans	-127.8	145.6	171.4	0	0	0	0	0	109.9
538	V	27.3	Very low	26.5	Very low	143 Å²	143	134.8 Å²	134.8	87%	0.867	81%	0.81	S	S	*	*			trans	-139.6	140.8	164.4	-91	0	0	0	0	108.8
539	N	27.4	Very low	26.9	Very low	156 Å²	156	132 Å²	132	83%	0.834	80%	0.803	S	S	*	*			trans	-135.8	121.8	-172.9	-171	-2.1	0	0	0	108.2
540	L	26	Very low	27.2	Very low	175 Å²	175	136 Å²	136	92%	0.916	80%	0.8	S	S	*	*			trans	-138.6	150.5	178.2	-77	177.9	0	0	0	110.1
541	S	26.2	Very low	27.4	Very low	114 Å²	114	139.1 Å²	139.1	80%	0.797	79%	0.793	S	S	*	*			trans	-118.4	164.2	-159	59.4	0	0	0	0	114.5
542	S	26.3	Very low	27.4	Very low	102 Å²	102	146.2 Å²	146.2	71%	0.713	80%	0.795	S	S	*	*			trans	105.4	114.6	148.7	-154.2	0	0	0	0	118.3
543	C	23.3	Very low	27.5	Very low	110 Å²	110	145.3 Å²	145.3	74%	0.743	79%	0.785	S	S	*	*			trans	47.3	102.9	139.3	-59.8	0	0	0	0	120.5
544	K	25.5	Very low	27.6	Very low	207 Å²	207	144.8 Å²	144.8	90%	0.9	78%	0.78	S	S	*	*				-170.9	153.4	95.5	-102.6	171.8	-177.4	177.2	0	115.1
545	Q	28.4	Very low	27.8	Very low	179 Å²	179	146 Å²	146	84%	0.836	77%	0.771	S	S	*	*			trans	-41.9	135.4	165.8	163.8	-173.7	-3.5	0	0	115.5
546	E	25.4	Very low	28.1	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	77%	0.766	S	S	*	*			trans	-158.6	-176.7	132	-125.9	160.4	-138.6	0	0	113.8
547	I	31.4	Very low	28.2	Very low	155 Å²	155	144.1 Å²	144.1	80%	0.795	76%	0.764	S	S	*	*			trans	-94	145.9	-167.9	-63.1	155	0	0	0	110.5
548	D	26.8	Very low	28.5	Very low	111 Å²	111	148.4 Å²	148.4	59%	0.594	77%	0.768	S	S	*	*			trans	-151.5	156.9	144.3	-154	-0.3	0	0	0	113.2	K550	D548-K550 IonicContact OD2-NZ 3.55Å; D548-K550 PolarHBondContact OD2-NZ 2.64Å
549	S	36	Very low	28.7	Very low	103 Å²	103	149.7 Å²	149.7	72%	0.72	76%	0.764	S	S	*	*			trans	-131.1	98.5	171.9	-65.3	0	0	0	0	108.7	E551	S549-E551 PolarHBondContact O-N 3.39Å
550	K	30.2	Very low	29	Very low	154 Å²	154	147.7 Å²	147.7	67%	0.67	75%	0.754	S	S	*	*			trans	-93.8	91.3	-179.1	-81.4	-167.6	157.6	70.9	0	113.5	D548	D548-K550 IonicContact OD2-NZ 3.55Å; D548-K550 PolarHBondContact OD2-NZ 2.64Å
551	E	28.8	Very low	29.3	Very low	149 Å²	149	147.5 Å²	147.5	70%	0.696	75%	0.753	S	S	*	*			trans	-39.1	151.6	137.1	172.9	177.4	-149	0	0	112.4	S549 V553	S549-E551 PolarHBondContact O-N 3.39Å; E551-V553 HydrophobicContact CG-CG2 3.98Å
552	W	27	Very low	29.5	Very low	230 Å²	230	150.4 Å²	150.4	87%	0.871	75%	0.754	S	S	*	*			trans	-128.1	132	150.8	-85.5	106.6	0	0	0	109.8
553	V	27.6	Very low	29.6	Very low	83 Å²	83	153.1 Å²	153.1	50%	0.503	76%	0.76	S	S	.	*			trans	-89.3	133.7	-175.6	178.3	0	0	0	0	109.6	E551 V555	E551-V553 HydrophobicContact CG-CG2 3.98Å; V553-V555 HydrophobicContact CG1-CB 4.02Å; V553-V555 HydrophobicContact CG1-CG2 3.58Å
554	I	29.9	Very low	29.9	Very low	142 Å²	142	157.8 Å²	157.8	73%	0.728	77%	0.768	S	S	*	*			trans	-121.5	115.8	147.7	-59.8	-179.4	0	0	0	106.5
555	V	30.9	Very low	29.9	Very low	106 Å²	106	157.9 Å²	157.9	64%	0.642	76%	0.763	S	S	*	*			trans	-119.4	103.1	172.1	159	0	0	0	0	105.6	V553 K557	V553-V555 HydrophobicContact CG1-CB 4.02Å; V553-V555 HydrophobicContact CG1-CG2 3.58Å; V555-K557 HydrophobicContact CG1-CB 3.96Å
556	D	32.5	Very low	29.9	Very low	144 Å²	144	155.4 Å²	155.4	77%	0.77	76%	0.76	S	S	*	*			trans	-75.8	129.8	159.8	-86.2	-59.3	0	0	0	108.8
557	K	29.5	Very low	30	Very low	184 Å²	184	153.7 Å²	153.7	80%	0.8	76%	0.757	S	S	*	*			trans	-145.6	38.7	-172.2	-159.9	-153.2	172.2	-168.2	0	112.1	V555	V555-K557 HydrophobicContact CG1-CB 3.96Å
558	E	32.5	Very low	29.7	Very low	183 Å²	183	154.5 Å²	154.5	86%	0.855	76%	0.757	S	S	*	*			trans	-147.6	47.9	-173.8	-137.3	155.4	-110	0	0	114
559	Q	31.5	Very low	29.8	Very low	170 Å²	170	154 Å²	154	79%	0.794	77%	0.769	S	S	*	*	S	Bend	trans	-148.9	35.5	171	-149.1	75.6	74.3	0	0	114.8
560	D	32.8	Very low	29.5	Very low	114 Å²	114	155.5 Å²	155.5	61%	0.61	77%	0.773	S	S	*	*	S	Bend	trans	-132.3	20.6	171.8	-91.9	-31.2	0	0	0	112.2	R79	R79-D560 IonicContact CZ-OD1 2.67Å; R79-D560 IonicContact CZ-OD2 2.66Å; R79-D560 IonicContact NH1-OD1 3.99Å; R79-D560 PolarHBondContact NH1-OD1 3.4Å; R79-D560 IonicContact NH1-OD2 2.72Å; R79-D560 PolarHBondContact NH1-OD2 3.24Å; R79-D560 IonicContact NH2-OD1 2.97Å; R79-D560 IonicContact NH2-OD2 3.4Å; R79-D560 PolarHBondContact NH2-OD2 3.41Å
561	L	33.5	Very low	29.5	Very low	171 Å²	171	151.9 Å²	151.9	90%	0.895	78%	0.78	S	S	*	*	S	Bend	trans	-143.8	48.5	175.1	-81.9	-176.2	0	0	0	113.6
562	Q	29.1	Very low	29.5	Very low	175 Å²	175	151.8 Å²	151.8	82%	0.818	78%	0.78	S	S	*	*			trans	-142.9	90.9	153.7	-80.9	-155.4	-3.8	0	0	110.1
563	D	28.9	Very low	29.5	Very low	160 Å²	160	149.1 Å²	149.1	86%	0.856	77%	0.774	S	S	*	*	S	Bend	trans	-161	37.9	152.1	-119.2	-11.9	0	0	0	111.9
564	F	29.1	Very low	29.6	Very low	208 Å²	208	150.6 Å²	150.6	91%	0.912	78%	0.783	S	S	*	*	S	Bend	trans	-150.8	139.5	162.3	-94.1	-71.6	0	0	0	109.4
565	R	25.9	Very low	29.4	Very low	208 Å²	208	150.4 Å²	150.4	79%	0.785	79%	0.789	S	S	*	*			trans	65.9	93.2	-174.3	-58.8	-171.1	-176.1	-171.5	0.9	116.6
566	T	29.6	Very low	29.3	Very low	128 Å²	128	149.2 Å²	149.2	79%	0.785	80%	0.798	S	S	*	*	S	Bend		-61.2	152.9	124.1	46.8	0	0	0	0	110.1
567	N	26.5	Very low	29.1	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	80%	0.801	S	S	*	*			trans	71.5	87.6	176.6	-56.2	-4.4	0	0	0	116.2
568	E	25.9	Very low	29.8	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	80%	0.802	S	S	*	*			trans	-103	148.9	139.3	-77.3	-163.7	148.4	0	0	109.8
569	A	27.2	Very low	29.5	Very low	102 Å²	102	141.8 Å²	141.8	84%	0.843	80%	0.798	S	S	*	*			trans	-109.4	102.2	163.5	0	0	0	0	0	109.3
570	V	30.8	Very low	29.3	Very low	133 Å²	133	140.8 Å²	140.8	81%	0.806	80%	0.798	S	S	*	*			trans	11.2	119.5	156.9	-172.9	0	0	0	0	117.9
571	G	29.3	Very low	29.2	Very low	79 Å²	79	143.6 Å²	143.6	81%	0.814	81%	0.807	S	S	*	*			trans	-157.4	84.5	171.9	0	0	0	0	0	114.5
572	H	28.7	Very low	29.1	Very low	147 Å²	147	144.1 Å²	144.1	68%	0.681	81%	0.805	S	S	*	*			trans	-61.2	144.4	-175	-80.6	-59.6	0	0	0	117.1
573	K	27.9	Very low	30.1	Very low	173 Å²	173	140.6 Å²	140.6	75%	0.752	80%	0.797	S	S	*	*			trans	49.3	142.6	134.9	-50.3	167	-180	169.5	0	118.2
574	T	28.9	Very low	30.1	Very low	114 Å²	114	141 Å²	141	70%	0.699	79%	0.794	S	S	*	*			cis	-164.5	155.5	44.8	42.6	0	0	0	0	112.6
575	T	27.2	Very low	30.2	Very low	139 Å²	139	136.3 Å²	136.3	85%	0.853	78%	0.782	S	S	*	*			trans	41	128	144.3	60.4	0	0	0	0	121.9
576	G	28.3	Very low	30.3	Very low	80 Å²	80	132.6 Å²	132.6	83%	0.825	78%	0.777	S	S	*	*			trans	146.3	112.2	152.8	0	0	0	0	0	114.8
577	S	27.4	Very low	30.3	Very low	121 Å²	121	134.4 Å²	134.4	85%	0.846	78%	0.777	S	S	*	*			trans	-134.2	166.3	165.4	-45.4	0	0	0	0	107.4
578	P	44.7	Very low	30.4	Very low	125 Å²	125	132.5 Å²	132.5	81%	0.812	77%	0.77	S	S	*	*			cis	-130.9	-144	1.8	43	-24.5	0	0	0	111.8
579	S	25.4	Very low	30.6	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	77%	0.767	S	S	*	*			trans	83.3	111.1	179.9	-142.6	0	0	0	0	112.9
580	D	28.6	Very low	30.7	Very low	148 Å²	148	134 Å²	134	79%	0.791	76%	0.764	S	S	*	*			cis	90.3	150.8	40.6	-159.2	20.3	0	0	0	112.4
581	E	31.1	Very low	30.6	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	76%	0.756	S	S	*	*			trans	76.9	118.3	-165.1	-60.3	-76.7	84.1	0	0	117.4
582	E	30.8	Very low	30.6	Very low	181 Å²	181	132.8 Å²	132.8	85%	0.846	75%	0.753	S	S	*	*			trans	-71.1	179.9	153.9	-111.8	-174.9	150.3	0	0	110.4
583	P	48.9	Very low	31.7	Very low	101 Å²	101	130.5 Å²	130.5	66%	0.656	75%	0.752	S	S	*	*			cis	-136.3	-159.9	-6.8	23.8	3.3	0	0	0	113.4
584	E	30.4	Very low	31.9	Very low	168 Å²	168	129.4 Å²	129.4	79%	0.785	75%	0.749	S	S	*	*			trans	108.1	104.3	145.3	-58.7	-142.8	129	0	0	120.9
585	V	30.3	Very low	32.1	Very low	110 Å²	110	128.7 Å²	128.7	67%	0.667	74%	0.741	S	S	*	*				71.7	101	118.9	179.1	0	0	0	0	119.2
586	L	29	Very low	32.3	Very low	130 Å²	130	126.2 Å²	126.2	68%	0.681	72%	0.72	S	S	*	*			trans	65.1	119	136.5	-59.5	177.1	0	0	0	121.6
587	Q	29.6	Very low	32.5	Very low	167 Å²	167	128 Å²	128	78%	0.78	71%	0.705	S	S	*	*				70.8	152.1	124.9	-67.9	-179.9	-10	0	0	120.8
588	V	28.2	Very low	32.4	Very low	109 Å²	109	127.7 Å²	127.7	66%	0.661	69%	0.693	S	S	*	*			cis	-172.8	161.7	-25.5	68.3	0	0	0	0	108.6
589	L	30.3	Very low	31.6	Very low	138 Å²	138	129.6 Å²	129.6	72%	0.723	69%	0.691	S	S	*	*			trans	67.6	155.2	166.9	-62.7	168.7	0	0	0	117.4
590	E	28	Very low	31.6	Very low	167 Å²	167	132.1 Å²	132.1	78%	0.78	70%	0.695	S	S	*	*			cis	-166.6	171.5	-31.5	-155.4	165.2	-139.3	0	0	109.9
591	A	29.1	Very low	31.3	Very low	77 Å²	77	128.5 Å²	128.5	64%	0.636	69%	0.693	S	S	*	*			trans	36.7	129.4	157.4	0	0	0	0	0	121.9
592	S	30.1	Very low	31.6	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	69%	0.69	S	S	*	*				69.1	162.4	50.8	88.5	0	0	0	0	114.9
593	P	51.2	Low	31.3	Very low	100 Å²	100	129.2 Å²	129.2	65%	0.649	70%	0.696	S	S	*	*			cis	-143.2	-147.4	5.4	37.9	-12.2	0	0	0	115.7
594	Q	32.3	Very low	30.2	Very low	149 Å²	149	128.5 Å²	128.5	70%	0.696	70%	0.699	S	S	*	*			trans	78.3	163.6	171	-53.3	-46.5	102.9	0	0	118.5
595	D	33.2	Very low	29.9	Very low	99 Å²	99	128.8 Å²	128.8	53%	0.529	70%	0.7	S	S	.	*			cis	-170.6	166.5	-14.4	-105.7	-21.7	0	0	0	108.5
596	E	31.7	Very low	29.8	Very low	87 Å²	87	129 Å²	129	41%	0.407	70%	0.697	S	S	.	*			cis	-173.2	162.4	-22.6	-153.7	-146.6	165	0	0	111.3	T826	E596-T826 PolarHBondContact O-N 3.26Å
597	K	31.7	Very low	29.7	Very low	119 Å²	119	128.5 Å²	128.5	52%	0.517	70%	0.695	S	S	.	*			trans	68.5	163	161.4	-84.8	176.6	-179.3	84	0	119.8
598	L	26	Very low	29.7	Very low	114 Å²	114	128.1 Å²	128.1	60%	0.597	69%	0.693	S	S	*	*			cis	-157.2	155.3	9.1	-122.2	165.6	0	0	0	115.4
599	Q	27.2	Very low	29.7	Very low	164 Å²	164	129.4 Å²	129.4	77%	0.766	70%	0.696	S	S	*	*			trans	15.2	129.5	158.4	-83.4	175.1	-13.2	0	0	130.3
600	L	25.9	Very low	29.6	Very low	163 Å²	163	130.5 Å²	130.5	85%	0.853	70%	0.695	S	S	*	*				66.5	112.8	115.9	-116.4	79.8	0	0	0	128.1
601	G	23.4	Very low	29.6	Very low	72 Å²	72	129.7 Å²	129.7	74%	0.742	69%	0.689	S	S	*	*			trans	76.8	171.6	131.5	0	0	0	0	0	122.5
602	P	36.9	Very low	29.6	Very low	117 Å²	117	132.7 Å²	132.7	76%	0.76	69%	0.689	S	S	*	*			cis	-146.8	177.3	-8.4	45.9	-27.6	0	0	0	119.1
603	W	24	Very low	29.3	Very low	253 Å²	253	133.9 Å²	133.9	96%	0.958	69%	0.692	S	S	*	*			trans	92.3	154.8	146.7	-77.6	13.6	0	0	0	126.3
604	A	25.6	Very low	28.2	Very low	87 Å²	87	134.9 Å²	134.9	72%	0.719	70%	0.701	S	S	*	*			trans	72	110.9	172.9	0	0	0	0	0	118.6
605	E	24.7	Very low	27.8	Very low	174 Å²	174	131 Å²	131	81%	0.813	70%	0.702	S	S	*	*				86.5	138.8	59	-74.9	-165.4	126	0	0	113.4
606	N	27.7	Very low	27.3	Very low	113 Å²	113	132.6 Å²	132.6	60%	0.604	72%	0.715	S	S	*	*			cis	-162.9	153.9	3.3	-117.8	-7.4	0	0	0	115.1
607	D	27.3	Very low	27	Very low	121 Å²	121	134.4 Å²	134.4	65%	0.647	73%	0.731	S	S	*	*			trans	50.4	158	133.6	-82	28.2	0	0	0	125.4
608	H	28.5	Very low	26.7	Very low	158 Å²	158	136.8 Å²	136.8	73%	0.731	75%	0.749	S	S	*	*			cis	-174.3	-157	-30.5	-122.5	-18.8	0	0	0	110.6
609	L	29.5	Very low	26.6	Very low	137 Å²	137	135.4 Å²	135.4	72%	0.717	75%	0.754	S	S	*	*			trans	81.5	143.7	165.7	-80.5	46.3	0	0	0	118.2
610	K	28.6	Very low	26.5	Very low	161 Å²	161	135.4 Å²	135.4	70%	0.7	76%	0.758	S	S	*	*			cis	-162	145.6	-19.5	-115.7	-178.2	-162.3	164	0	108.7
611	K	28.1	Very low	26.4	Very low	150 Å²	150	132.4 Å²	132.4	65%	0.652	75%	0.751	S	S	*	*				58.1	148.3	93.2	-69.7	-175.3	136.9	-137.9	0	115.7
612	E	27.7	Very low	26.6	Very low	140 Å²	140	133.5 Å²	133.5	65%	0.654	75%	0.753	S	S	*	*			cis	-165.2	152.8	1.7	-127.7	163.4	164.2	0	0	115
613	T	24.9	Very low	26	Very low	133 Å²	133	137.4 Å²	137.4	82%	0.816	76%	0.761	S	S	*	*			trans	-157.6	108.9	141.6	48.5	0	0	0	0	107.7
614	S	26.9	Very low	26	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	75%	0.749	S	S	*	*				57.6	124.2	90.4	-166.4	0	0	0	0	114.8
615	G	24.5	Very low	26.7	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	75%	0.753	S	S	*	*			cis	-152.7	-166.3	-3.8	0	0	0	0	0	109.3
616	V	23.6	Very low	27.1	Very low	133 Å²	133	127.2 Å²	127.2	81%	0.806	75%	0.748	S	S	*	*			cis	-154	114	14.8	162.9	0	0	0	0	106.2
617	V	25	Very low	26.9	Very low	124 Å²	124	128.9 Å²	128.9	75%	0.752	76%	0.762	S	S	*	*				50	110	95.2	-170.6	0	0	0	0	114.3
618	L	24.4	Very low	27	Very low	170 Å²	170	127.7 Å²	127.7	89%	0.89	77%	0.769	S	S	*	*				-163.3	155.7	94.7	-98.2	174.1	0	0	0	112.2
619	A	25.2	Very low	27	Very low	84 Å²	84	123.9 Å²	123.9	69%	0.694	77%	0.765	S	S	*	*			trans	-153.1	146.6	174.2	0	0	0	0	0	113.1
620	L	24.3	Very low	26.9	Very low	164 Å²	164	120.5 Å²	120.5	86%	0.859	75%	0.753	S	S	*	*			trans	-152.8	145.3	160.4	-74.3	-178.7	0	0	0	107.5
621	S	24.3	Very low	26.9	Very low	101 Å²	101	117.7 Å²	117.7	71%	0.706	74%	0.742	S	S	*	*			cis	86.7	113.3	4.6	-43.8	0	0	0	0	118
622	A	26.2	Very low	26.9	Very low	95 Å²	95	114.1 Å²	114.1	79%	0.785	73%	0.728	S	S	*	*			trans	66.7	148.8	159.5	0	0	0	0	0	118
623	E	24.4	Very low	26.8	Very low	198 Å²	198	114.9 Å²	114.9	93%	0.925	73%	0.726	S	S	*	*			cis	-160.7	161.1	-11.9	-119.4	178	167.2	0	0	109.4
624	G	24.6	Very low	26.9	Very low	69 Å²	69	114.1 Å²	114.1	71%	0.711	72%	0.721	S	S	*	*			trans	127.6	122	158.7	0	0	0	0	0	118.9
625	P	40.6	Very low	26.9	Very low	123 Å²	123	115 Å²	115	80%	0.799	72%	0.716	S	S	*	*			trans	-86.2	-168.3	151.5	41.4	-35.9	0	0	0	109.3
626	P	32.8	Very low	27	Very low	109 Å²	109	123.1 Å²	123.1	71%	0.708	73%	0.726	S	S	*	*			cis	-137.8	156.8	1.9	40.1	-22.1	0	0	0	117.1
627	T	24.3	Very low	27	Very low	148 Å²	148	123.2 Å²	123.2	91%	0.908	72%	0.721	S	S	*	*			trans	-163.6	130.7	133	3	0	0	0	0	111.8
628	A	28	Very low	27.3	Very low	95 Å²	95	125.3 Å²	125.3	79%	0.785	72%	0.722	S	S	*	*			trans	-106	176.9	152.8	0	0	0	0	0	106.9
629	A	28.7	Very low	27.3	Very low	78 Å²	78	125.2 Å²	125.2	65%	0.645	72%	0.722	S	S	*	*			cis	-155.6	173.4	8.5	0	0	0	0	0	109.9
630	S	27.6	Very low	27.3	Very low	67 Å²	67	128.9 Å²	128.9	47%	0.469	73%	0.725	S	S	.	*				-168.9	127.5	117.6	-90	0	0	0	0	110.5	M844	S630-M844 VanDerWaalsContact OG-C 3.31Å
631	E	28.2	Very low	27.7	Very low	102 Å²	102	126.8 Å²	126.8	48%	0.477	72%	0.721	S	S	.	*			cis	-157.5	-46.3	-13.6	-141.2	167.7	112.9	0	0	118.3	E842 I843	E631-E842 PolarHBondContact N-O 2.66Å; E631-I843 HydrophobicContact CB-CB 3.93Å; E631-I843 HydrophobicContact CB-CG2 3.93Å
632	Q	28.1	Very low	27.8	Very low	74 Å²	74	125.3 Å²	125.3	35%	0.346	72%	0.721	S	S	.	*	B	Isolated β-bridge	trans	-146	161.3	-149	-76.3	170	26.1	0	0	117.6	E842 I843	Q632-E842 PolarHBondContact N-O 2.87Å; Q632-E842 PolarHBondContact O-N 3.34Å; Q632-I843 HydrophobicContact CB-CB 4.23Å; Q632-I843 HydrophobicContact CB-CG1 4.31Å; Q632-I843 HydrophobicContact CG-CB 4.46Å
633	Y	27	Very low	27.8	Very low	157 Å²	157	125.4 Å²	125.4	62%	0.616	72%	0.722	S	S	*	*			trans	76.8	99.7	157.4	-72.3	-61.8	0	0	0	122.7	N841	Y633-N841 VanDerWaalsContact O-CB 3.27Å; Y633-N841 WeakPolarHBondContact O-CB 3.29Å
634	T	26.6	Very low	28.1	Very low	116 Å²	116	120.6 Å²	120.6	71%	0.712	72%	0.716	S	S	*	*			trans	-54.7	159.8	141	51.6	0	0	0	0	114.7
635	D	25.8	Very low	28.2	Very low	140 Å²	140	121.9 Å²	121.9	75%	0.749	71%	0.714	S	S	*	*			trans	63.8	123	145.9	-106	-38.6	0	0	0	120
636	R	26.6	Very low	27.6	Very low	239 Å²	239	123.6 Å²	123.6	90%	0.902	71%	0.712	S	S	*	*				-164.7	149.9	92.9	-112.3	-171.7	176.2	-135.4	-6.5	116.6
637	L	25	Very low	27.2	Very low	135 Å²	135	125.9 Å²	125.9	71%	0.707	71%	0.711	S	S	*	*			trans	-54.7	149	157.2	-76.9	157	0	0	0	112.9
638	E	30.4	Very low	27.2	Very low	167 Å²	167	125 Å²	125	78%	0.78	70%	0.7	S	S	*	*			trans	38.8	133	146.5	-59	-174.8	118.2	0	0	120.3
639	L	23.8	Very low	26.8	Very low	169 Å²	169	123.1 Å²	123.1	89%	0.885	68%	0.683	S	S	*	*				-168.1	151.1	106.1	-102.5	165	0	0	0	115
640	Q	25.7	Very low	26.7	Very low	161 Å²	161	120.8 Å²	120.8	75%	0.752	66%	0.664	S	S	*	*			trans	-51.7	171.9	155	-76.8	-107.5	-3.6	0	0	112.9
641	P	32.7	Very low	26.7	Very low	120 Å²	120	122.2 Å²	122.2	78%	0.779	67%	0.67	S	S	*	*			cis	-141	-168	18	40.9	-20.8	0	0	0	115.8
642	G	27.7	Very low	27.4	Very low	69 Å²	69	122.3 Å²	122.3	71%	0.711	68%	0.68	S	S	*	*			trans	104	76.9	159	0	0	0	0	0	115
643	A	25.7	Very low	27.5	Very low	97 Å²	97	124.8 Å²	124.8	80%	0.802	70%	0.7	S	S	*	*			cis	72.9	69.3	30.9	0	0	0	0	0	115.8
644	A	29.6	Very low	27.5	Very low	97 Å²	97	122.6 Å²	122.6	80%	0.802	71%	0.708	S	S	*	*			trans	-166	138.7	144.1	0	0	0	0	0	111.2
645	S	26.7	Very low	27.5	Very low	96 Å²	96	123.9 Å²	123.9	67%	0.671	71%	0.71	S	S	*	*			cis	-172.2	132.5	-18.9	49.6	0	0	0	0	109.1
646	Q	29.5	Very low	27.4	Very low	160 Å²	160	124.1 Å²	124.1	75%	0.748	71%	0.708	S	S	*	*			trans	46.8	138.3	137.7	-71.5	166.7	-0.9	0	0	120.2
647	F	24.3	Very low	27.6	Very low	156 Å²	156	120.2 Å²	120.2	68%	0.684	70%	0.7	S	S	*	*			cis	-160.7	161.4	15	-108.3	-57.1	0	0	0	109.7
648	I	22.9	Very low	27.8	Very low	131 Å²	131	118.2 Å²	118.2	67%	0.672	70%	0.703	S	S	*	*			trans	70.8	120.8	150.4	-66.1	162.9	0	0	0	120.2	R768	I648-R768 PolarHBondContact O-NH2 3.42Å
649	A	21.1	Very low	27.5	Very low	54 Å²	54	119 Å²	119	45%	0.446	71%	0.707	S	S	.	*			trans	51.3	127.7	143.6	0	0	0	0	0	123.4
650	A	25.1	Very low	27.7	Very low	29 Å²	29	115.4 Å²	115.4	24%	0.24	70%	0.702	C	S	.	*				43.1	159.5	116.1	0	0	0	0	0	123.5	F770 E771	A650-F770 VanDerWaalsContact N-CD1 3.33Å; A650-E771 WeakPolarHBondContact CA-OE2 3.43Å; A650-E771 WeakPolarHBondContact CB-OE2 3.03Å; A650-E771 PolarHBondContact N-OE2 2.87Å
651	T	27.9	Very low	27.7	Very low	97 Å²	97	117.1 Å²	117.1	60%	0.595	71%	0.71	S	S	*	*			trans	74	153.1	159.3	33.8	0	0	0	0	117.1	E769	T651-E769 WeakPolarHBondContact O-CB 3.2Å
652	P	44.3	Very low	27.4	Very low	104 Å²	104	114.9 Å²	114.9	68%	0.675	71%	0.708	S	S	*	*			cis	-131.1	174.4	34.2	44.4	-26.8	0	0	0	115.4
653	T	29.1	Very low	28.4	Very low	127 Å²	127	117.2 Å²	117.2	78%	0.779	71%	0.711	S	S	*	*			cis	-153.7	157.5	26.4	-38	0	0	0	0	114.3
654	S	27.3	Very low	28.4	Very low	110 Å²	110	120 Å²	120	77%	0.769	71%	0.711	S	S	*	*			trans	90.8	96.4	153.9	-140.5	0	0	0	0	119
655	L	26.2	Very low	28.4	Very low	144 Å²	144	119.9 Å²	119.9	75%	0.754	70%	0.701	S	S	*	*			trans	-60.4	164.6	137.2	-73.2	72.9	0	0	0	109.8
656	M	24.9	Very low	28.4	Very low	144 Å²	144	119.9 Å²	119.9	71%	0.709	71%	0.706	S	S	*	*				176.7	135.5	99.4	-148.3	61.1	168.2	0	0	113.1
657	E	28.9	Very low	28.3	Very low	157 Å²	157	120 Å²	120	73%	0.734	71%	0.71	S	S	*	*			trans	36.1	104.3	152.1	-68.7	174.2	132.2	0	0	122.7
658	A	29.2	Very low	28.3	Very low	94 Å²	94	118.3 Å²	118.3	78%	0.777	71%	0.713	S	S	*	*				68.2	175.1	100.4	0	0	0	0	0	122.6
659	Q	25.6	Very low	28.8	Very low	183 Å²	183	119.4 Å²	119.4	86%	0.855	72%	0.719	S	S	*	*			trans	83	100.1	166.7	-57	-133.2	-40.6	0	0	119.8
660	A	27.2	Very low	29.9	Very low	94 Å²	94	122.8 Å²	122.8	78%	0.777	74%	0.736	S	S	*	*				80.7	149.8	111.5	0	0	0	0	0	121.8
661	E	26.3	Very low	30.1	Very low	197 Å²	197	132.1 Å²	132.1	92%	0.921	77%	0.765	S	S	*	*			trans	-59.3	153.8	177.6	-52.5	171.3	166.9	0	0	113.9
662	G	26.5	Very low	30.9	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	77%	0.774	S	S	*	*			trans	174.4	116.4	171.8	0	0	0	0	0	114.7
663	P	47.3	Very low	30.2	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	78%	0.776	S	S	*	*			trans	-104.8	-165.2	-179.4	34.8	-25.5	0	0	0	114.2
664	L	26.3	Very low	30.3	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	78%	0.781	S	S	*	*			trans	84.2	170.7	168.1	-49.4	-179.4	0	0	0	118.5
665	T	29.6	Very low	30.4	Very low	95 Å²	95	133.1 Å²	133.1	58%	0.583	78%	0.779	S	S	*	*			trans	-156.1	120.6	-167.1	42.8	0	0	0	0	111.6
666	A	26.1	Very low	30.5	Very low	95 Å²	95	131.7 Å²	131.7	79%	0.785	78%	0.782	S	S	*	*			trans	-165.4	114.4	157.8	0	0	0	0	0	115.2
667	I	28.9	Very low	30.7	Very low	163 Å²	163	130.4 Å²	130.4	84%	0.836	78%	0.782	S	S	*	*			trans	19.4	128.7	134.1	-30.9	177.8	0	0	0	120.6
668	T	22.8	Very low	30.6	Very low	120 Å²	120	131.3 Å²	131.3	74%	0.736	79%	0.786	S	S	*	*				147	110.2	122.8	-53.1	0	0	0	0	117.4
669	I	33.9	Very low	30.6	Very low	155 Å²	155	131.2 Å²	131.2	80%	0.795	78%	0.779	S	S	*	*			trans	8.7	132.5	135.5	-64.5	168.2	0	0	0	118.9
670	P	44.3	Very low	30.8	Very low	124 Å²	124	128.8 Å²	128.8	81%	0.805	78%	0.778	S	S	*	*				-153.3	177.5	92.1	39.6	-18.7	0	0	0	119.7
671	R	30.4	Very low	30.9	Very low	226 Å²	226	130.1 Å²	130.1	85%	0.853	78%	0.781	S	S	*	*			trans	-96.2	173.3	177.7	-64.8	174.3	167.4	159.9	-7.7	113.2
672	P	44.5	Very low	30.9	Very low	120 Å²	120	124.6 Å²	124.6	78%	0.779	78%	0.777	S	S	*	*				-123.1	160.5	96.8	1.3	20.7	0	0	0	112.9
673	S	28.8	Very low	31.1	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	77%	0.774	S	S	*	*			cis	85.9	144.5	40.6	-50.5	0	0	0	0	113.2
674	V	32.4	Very low	30	Very low	148 Å²	148	128 Å²	128	90%	0.897	77%	0.771	S	S	*	*			cis	-117.9	-143.4	20.7	-66.2	0	0	0	0	114.7
675	A	27.7	Very low	29.9	Very low	88 Å²	88	128.1 Å²	128.1	73%	0.727	77%	0.768	S	S	*	*			trans	-164	-179	-164.8	0	0	0	0	0	114.8
676	S	28.6	Very low	29.6	Very low	115 Å²	115	134.7 Å²	134.7	80%	0.804	78%	0.783	S	S	*	*			trans	97	146.3	169.9	-49.5	0	0	0	0	116.5
677	T	28.9	Very low	29.5	Very low	116 Å²	116	133.6 Å²	133.6	71%	0.712	78%	0.781	S	S	*	*			cis	-147.5	150.1	33.4	49.9	0	0	0	0	116
678	Q	27.9	Very low	29.3	Very low	177 Å²	177	135 Å²	135	83%	0.827	78%	0.784	S	S	*	*			trans	57.4	161.4	143	-68	-178.9	43.9	0	0	122.4
679	S	29.5	Very low	29.4	Very low	91 Å²	91	137.6 Å²	137.6	64%	0.636	79%	0.788	S	S	*	*			cis	-177.3	165.2	-39.1	-95.8	0	0	0	0	111.3
680	T	28	Very low	29.7	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	78%	0.779	S	S	*	*			trans	72	152.1	165.8	71.1	0	0	0	0	118.9
681	S	30.4	Very low	28.7	Very low	122 Å²	122	135.2 Å²	135.2	85%	0.853	77%	0.771	S	S	*	*			cis	-169	153.5	-22.5	-93.8	0	0	0	0	111.1
682	G	26.1	Very low	28.6	Very low	80 Å²	80	131.3 Å²	131.3	83%	0.825	76%	0.76	S	S	*	*			trans	156.5	132	168.6	0	0	0	0	0	112.6
683	S	30.1	Very low	27.6	Very low	97 Å²	97	133.1 Å²	133.1	68%	0.678	76%	0.756	S	S	*	*			trans	-161.5	173	-167.1	-170.6	0	0	0	0	114.7
684	F	23.9	Very low	27.4	Very low	165 Å²	165	133.7 Å²	133.7	72%	0.724	75%	0.751	S	S	*	*			trans	84.3	103.1	156.1	-62.7	-62.3	0	0	0	121.7
685	H	25.6	Very low	27	Very low	159 Å²	159	135 Å²	135	74%	0.736	75%	0.752	S	S	*	*				75.5	154.1	113.7	-80.5	14.6	0	0	0	123.3
686	Y	22.8	Very low	26.9	Very low	233 Å²	233	139.3 Å²	139.3	91%	0.914	76%	0.757	S	S	*	*			trans	72.6	148.6	153.9	-107.5	-98.6	0	0	0	118.8
687	G	24	Very low	27.3	Very low	72 Å²	72	139 Å²	139	74%	0.742	75%	0.752	S	S	*	*			trans	145.2	135.1	169.8	0	0	0	0	0	114.3
688	Q	25	Very low	27	Very low	191 Å²	191	141.1 Å²	141.1	89%	0.893	76%	0.756	S	S	*	*			trans	-100.9	163.1	-177.7	-69.1	163.2	-71.2	0	0	112.6
689	Q	24	Very low	27.1	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	75%	0.75	S	S	*	*			trans	-6.5	165.5	134	-105	-161.2	-5.7	0	0	119.5
690	P	40.2	Very low	27.4	Very low	94 Å²	94	141.4 Å²	141.4	61%	0.61	76%	0.758	S	S	*	*			cis	-147	178.1	7.7	40.5	-19	0	0	0	118.7
691	E	24.6	Very low	27.3	Very low	136 Å²	136	140.1 Å²	140.1	64%	0.636	75%	0.75	S	S	*	*			trans	52.2	139.6	133.2	-76.4	-169.8	143.6	0	0	127.3
692	K	26.6	Very low	27.1	Very low	144 Å²	144	139.9 Å²	139.9	63%	0.626	74%	0.743	S	S	*	*				82.5	128.8	127.4	-80.7	171.2	-176.2	149.3	0	124.1
693	K	24.1	Very low	27.2	Very low	157 Å²	157	142.9 Å²	142.9	68%	0.683	74%	0.736	S	S	*	*				68.6	132.4	124.4	-75.9	176.6	148.9	-81.4	0	123.4
694	D	23.9	Very low	27	Very low	114 Å²	114	144.4 Å²	144.4	61%	0.61	74%	0.736	S	S	*	*				60.5	146.2	128	-49.2	-19.7	0	0	0	123
695	L	25.8	Very low	27.2	Very low	176 Å²	176	146.9 Å²	146.9	92%	0.921	74%	0.742	S	S	*	*			trans	86.9	141.2	156.6	-67.5	158.6	0	0	0	120.7
696	Q	25.1	Very low	27.3	Very low	179 Å²	179	143.8 Å²	143.8	84%	0.836	74%	0.738	S	S	*	*			trans	-76.9	177.2	160.3	-73.4	-167.6	-16.4	0	0	109.8
697	P	36.9	Very low	28.3	Very low	107 Å²	107	138.8 Å²	138.8	70%	0.695	73%	0.734	S	S	*	*			cis	-152	-169.6	23.7	46.8	-25.8	0	0	0	118.9
698	M	22.2	Very low	28.5	Very low	162 Å²	162	146.1 Å²	146.1	80%	0.798	74%	0.739	S	S	*	*			trans	73.8	152.6	151.6	-70.1	-150.5	74.1	0	0	122.8
699	E	29.4	Very low	28.7	Very low	149 Å²	149	144.8 Å²	144.8	70%	0.696	73%	0.733	S	S	*	*			trans	-71	164.6	175.7	-47.8	156.5	115.9	0	0	111.7
700	P	36.7	Very low	28.8	Very low	124 Å²	124	143.1 Å²	143.1	81%	0.805	73%	0.73	S	S	*	*				-129	165	70.6	8.6	16.4	0	0	0	113.5
701	T	26.1	Very low	28.2	Very low	106 Å²	106	148.1 Å²	148.1	65%	0.65	74%	0.742	S	S	*	*			cis	109.9	132.1	23.1	-62.3	0	0	0	0	112.4
702	V	26.7	Very low	28.4	Very low	118 Å²	118	147.5 Å²	147.5	72%	0.715	75%	0.753	S	S	*	*			trans	72.3	139.7	162.7	156.4	0	0	0	0	116.7
703	E	26.9	Very low	28.5	Very low	143 Å²	143	143.7 Å²	143.7	67%	0.668	75%	0.754	S	S	*	*			cis	-159.2	168.1	-5.8	-120.9	174.3	-148.1	0	0	115.3
704	L	27.2	Very low	28.7	Very low	128 Å²	128	144.6 Å²	144.6	67%	0.67	77%	0.766	S	S	*	*			trans	12.6	146.4	145.3	-65.7	167	0	0	0	121
705	Y	27.5	Very low	28.8	Very low	217 Å²	217	142.9 Å²	142.9	85%	0.851	77%	0.768	S	S	*	*				-158.8	167.5	72.3	-107	-94.2	0	0	0	115.2
706	S	27.9	Very low	28.9	Very low	95 Å²	95	140.5 Å²	140.5	66%	0.664	76%	0.76	S	S	*	*			trans	-114.5	167.4	176.6	-158.8	0	0	0	0	110.8
707	P	43.5	Very low	29.1	Very low	127 Å²	127	137.5 Å²	137.5	83%	0.825	75%	0.754	S	S	*	*				-151.7	-159.7	84.9	41.5	-20.5	0	0	0	116.2
708	R	27.6	Very low	28.7	Very low	227 Å²	227	140.9 Å²	140.9	86%	0.857	76%	0.761	S	S	*	*			trans	-94.4	-174.9	-168	-72.5	170.2	139.7	-166.6	-2.6	115.6
709	E	29.8	Very low	28.9	Very low	162 Å²	162	136.5 Å²	136.5	76%	0.757	76%	0.757	S	S	*	*			trans	107.8	146.6	150.8	-66.6	-177.4	-146	0	0	116.3
710	N	26.8	Very low	28.9	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	77%	0.767	S	S	*	*			cis	-148.3	-175.5	6.9	-123.2	-33.4	0	0	0	113.7
711	F	28	Very low	29.6	Very low	199 Å²	199	138 Å²	138	87%	0.873	76%	0.763	S	S	*	*			trans	-102.1	167.6	-177.8	-108.5	-87.8	0	0	0	115.3
712	S	28.6	Very low	30.7	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	77%	0.767	S	S	*	*			trans	109.1	141.4	161.7	-47.3	0	0	0	0	116.4
713	G	27.1	Very low	30.8	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	78%	0.775	S	S	*	*			cis	169.1	172.8	-7.8	0	0	0	0	0	114.1
714	L	29	Very low	30.8	Very low	176 Å²	176	135.5 Å²	135.5	92%	0.921	78%	0.78	S	S	*	*			trans	67.1	151.2	170.7	-84.6	71.8	0	0	0	117.5
715	A	26.1	Very low	30.9	Very low	79 Å²	79	133.1 Å²	133.1	65%	0.653	79%	0.786	S	S	*	*			cis	-151.4	146	1.4	0	0	0	0	0	114.2
716	V	27.5	Very low	31	Very low	125 Å²	125	128.2 Å²	128.2	76%	0.758	78%	0.783	S	S	*	*			trans	19.9	131.9	133.1	-140.5	0	0	0	0	117.7
717	T	29.5	Very low	31.1	Very low	117 Å²	117	133.7 Å²	133.7	72%	0.718	79%	0.789	S	S	*	*				-162.2	153.3	59.3	46.5	0	0	0	0	116
718	E	28	Very low	30.5	Very low	177 Å²	177	134 Å²	134	83%	0.827	79%	0.79	S	S	*	*			trans	30.6	145.1	132	-48.3	-61.1	121.7	0	0	121.5
719	G	26.4	Very low	30.6	Very low	70 Å²	70	128.7 Å²	128.7	72%	0.722	78%	0.778	S	S	*	*			cis	-174.8	-166.4	8	0	0	0	0	0	113.4
720	E	29.7	Very low	30.6	Very low	196 Å²	196	129.1 Å²	129.1	92%	0.916	78%	0.784	S	S	*	*			trans	-88.5	161.2	-164.7	-84.9	-165.5	116.8	0	0	118
721	P	51.7	Low	30.7	Very low	109 Å²	109	125.5 Å²	125.5	71%	0.708	78%	0.78	S	S	*	*			trans	-89.7	-154.4	169.9	43.1	-39.8	0	0	0	110.7
722	P	49.5	Very low	30.7	Very low	114 Å²	114	123.6 Å²	123.6	74%	0.74	78%	0.779	S	S	*	*			cis	-140	-159.6	-3.5	44.2	-24.4	0	0	0	115.6
723	S	28.7	Very low	30.7	Very low	126 Å²	126	124.9 Å²	124.9	88%	0.881	77%	0.771	S	S	*	*			trans	99.8	139.3	153.1	-159.3	0	0	0	0	119.7
724	G	27.4	Very low	30.9	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	77%	0.773	S	S	*	*			trans	127	107.5	144.6	0	0	0	0	0	120.1
725	G	27.8	Very low	30.8	Very low	77 Å²	77	126.7 Å²	126.7	79%	0.794	77%	0.765	S	S	*	*				88.8	104.9	122.1	0	0	0	0	0	122.9
726	S	30.3	Very low	31	Very low	114 Å²	114	130.8 Å²	130.8	80%	0.797	77%	0.771	S	S	*	*				56.1	102	117.5	-173.8	0	0	0	0	122.9
727	R	30.4	Very low	31.2	Very low	210 Å²	210	132.8 Å²	132.8	79%	0.792	78%	0.775	S	S	*	*				47.5	114.9	116.7	-177.3	-160.7	174.9	-173	-1.3	121.1
728	T	31.4	Very low	31.2	Very low	135 Å²	135	130.3 Å²	130.3	83%	0.828	77%	0.773	S	S	*	*			trans	-161.6	138.6	132.1	33.9	0	0	0	0	107.2
729	D	29.3	Very low	31.2	Very low	115 Å²	115	130.1 Å²	130.1	62%	0.615	77%	0.771	S	S	*	*			cis	88.5	144.6	25.4	-150.9	-6	0	0	0	114.4
730	L	30.1	Very low	31.2	Very low	170 Å²	170	133 Å²	133	89%	0.89	77%	0.77	S	S	*	*			trans	71.6	139.7	-169.1	-51.3	169.3	0	0	0	116.5
731	G	27.8	Very low	31.1	Very low	65 Å²	65	129.2 Å²	129.2	67%	0.67	76%	0.76	S	S	*	*			cis	160.4	161.2	-12.4	0	0	0	0	0	114.4
732	L	28.8	Very low	29.9	Very low	159 Å²	159	131.5 Å²	131.5	83%	0.832	77%	0.766	S	S	*	*			trans	67.5	156.4	161.8	-57.7	176	0	0	0	118.1
733	Q	28.6	Very low	29.7	Very low	149 Å²	149	130.6 Å²	130.6	70%	0.696	76%	0.76	S	S	*	*			cis	-172.3	160	-35.5	-145.3	-175.2	-4.7	0	0	108.2
734	I	30.1	Very low	29.6	Very low	138 Å²	138	131.1 Å²	131.1	71%	0.708	75%	0.753	S	S	*	*			trans	71.4	147.9	161.8	-62.4	155.6	0	0	0	113.5
735	D	27.9	Very low	29.6	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	75%	0.748	S	S	*	*			cis	-140.4	-166.3	17	-140.3	-37	0	0	0	114.8
736	H	30.3	Very low	29.5	Very low	166 Å²	166	140.2 Å²	140.2	77%	0.769	75%	0.748	S	S	*	*			trans	-99.5	175.8	-164.8	-72.1	-80.8	0	0	0	118.8
737	I	30.6	Very low	29.4	Very low	167 Å²	167	141.7 Å²	141.7	86%	0.856	74%	0.743	S	S	*	*			trans	83.8	114.6	152.6	-69.1	144.2	0	0	0	120.1
738	G	29.5	Very low	29.2	Very low	64 Å²	64	135.2 Å²	135.2	66%	0.66	73%	0.729	S	S	*	*				92.6	107.7	104.4	0	0	0	0	0	122.1
739	H	28.8	Very low	29.1	Very low	173 Å²	173	134.4 Å²	134.4	80%	0.801	72%	0.72	S	S	*	*			trans	39.1	126.2	137.5	-83.4	-92.8	0	0	0	123.8
740	D	26.3	Very low	29	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	73%	0.728	S	S	*	*			trans	76.2	121.8	134.2	-69.7	-36.4	0	0	0	124.9
741	V	27.4	Very low	28.9	Very low	116 Å²	116	133.2 Å²	133.2	70%	0.703	71%	0.712	S	S	*	*			trans	66.7	94.5	133.8	-174.6	0	0	0	0	120.3
742	L	25.9	Very low	28.9	Very low	157 Å²	157	137.9 Å²	137.9	82%	0.822	72%	0.717	S	S	*	*			trans	60.4	-177.8	140.9	-96.7	69.8	0	0	0	117.6
743	P	45.9	Very low	28.8	Very low	95 Å²	95	136 Å²	136	62%	0.617	71%	0.707	S	S	*	*			cis	-129.1	179.7	-44.8	34.3	-18.6	0	0	0	113.8
744	N	26.1	Very low	28.7	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	71%	0.713	S	S	*	*			trans	83.6	136.2	136.7	-95.4	-16.3	0	0	0	124
745	I	27.8	Very low	28.5	Very low	132 Å²	132	132.5 Å²	132.5	68%	0.677	71%	0.708	S	S	*	*			trans	93.8	142.1	131.2	-77.9	168.8	0	0	0	121
746	R	26.7	Very low	29	Very low	210 Å²	210	131.2 Å²	131.2	79%	0.792	71%	0.707	S	S	*	*			trans	72.4	139.6	174.6	-73.6	174	-173.5	-102.8	8	116.4
747	E	27.2	Very low	29	Very low	146 Å²	146	131.3 Å²	131.3	68%	0.682	71%	0.705	S	S	*	*			cis	-163	174.4	-9.8	-125.9	179.4	-70.5	0	0	108.9
748	S	27.3	Very low	28.7	Very low	73 Å²	73	130.9 Å²	130.9	51%	0.51	70%	0.7	S	S	.	*			cis	-159.1	170.7	6.1	47.3	0	0	0	0	111.4
749	N	27.7	Very low	28.5	Very low	118 Å²	118	135.9 Å²	135.9	63%	0.631	71%	0.71	S	S	*	*			trans	78.5	143.3	163	-50.9	-52.4	0	0	0	118.1
750	K	27.2	Very low	28.7	Very low	178 Å²	178	132.6 Å²	132.6	77%	0.774	70%	0.704	S	S	*	*			cis	-177.6	149.1	-24.4	-111.2	163.6	-170.4	141.6	0	105.9
751	S	28.4	Very low	28.5	Very low	82 Å²	82	132.5 Å²	132.5	57%	0.573	70%	0.704	S	S	*	*			cis	-180	148.5	-12.3	41.1	0	0	0	0	110.4
752	Q	27.6	Very low	28.4	Very low	164 Å²	164	134.1 Å²	134.1	77%	0.766	70%	0.704	S	S	*	*			trans	67.1	151.5	159.8	-64.5	178.1	-93.6	0	0	116.8
753	D	26.9	Very low	28.5	Very low	118 Å²	118	133.4 Å²	133.4	63%	0.631	70%	0.701	S	S	*	*			cis	-162.2	163	-14.3	-98.9	-20.7	0	0	0	106.6
754	L	27.7	Very low	27.7	Very low	157 Å²	157	139.1 Å²	139.1	82%	0.822	71%	0.71	S	S	*	*			cis	-152.9	-169.3	3.5	-130.1	173.2	0	0	0	109.2
755	G	25.9	Very low	27.7	Very low	58 Å²	58	139.8 Å²	139.8	60%	0.598	71%	0.713	S	S	*	*			trans	-89	-146.3	162.7	0	0	0	0	0	112.4
756	P	38.5	Very low	27.7	Very low	112 Å²	112	139 Å²	139	73%	0.727	71%	0.714	S	S	*	*			cis	-144.2	-161.1	2.4	44.2	-24.5	0	0	0	114.7
757	K	29.8	Very low	27.7	Very low	168 Å²	168	135 Å²	135	73%	0.73	71%	0.712	S	S	*	*			trans	71.8	137.1	153.3	-78.4	-179.2	174.5	-93.9	0	117.9
758	E	24.7	Very low	27.8	Very low	159 Å²	159	135.3 Å²	135.3	74%	0.743	71%	0.707	S	S	*	*				71.3	148.2	76.1	-61.5	-177.3	132.8	0	0	115.4
759	L	25.1	Very low	28	Very low	168 Å²	168	135 Å²	135	88%	0.88	70%	0.698	S	S	*	*			trans	-56.9	164.9	172.8	-73.7	158.5	0	0	0	112.3
760	P	32.1	Very low	28	Very low	104 Å²	104	135.4 Å²	135.4	68%	0.675	69%	0.694	S	S	*	*			cis	-146.1	-171.5	25.5	44.2	-23.9	0	0	0	117.3
761	D	22.7	Very low	28.2	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	68%	0.684	S	S	*	*			trans	46.7	126.1	139.5	-77.4	-45.7	0	0	0	125.7
762	H	25.8	Very low	28.2	Very low	150 Å²	150	134.1 Å²	134.1	69%	0.694	69%	0.686	S	S	*	*			trans	61.2	121.8	130.7	-78.6	67.2	0	0	0	122.7
763	N	28.3	Very low	28.3	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	69%	0.685	S	S	*	*			trans	71.7	153	143.4	-69.1	-35.6	0	0	0	117.7
764	R	28.4	Very low	29.1	Very low	216 Å²	216	133.6 Å²	133.6	82%	0.815	69%	0.694	S	S	*	*			cis	-153.4	173.5	11.1	-150.8	174.2	176.2	172.6	-1.2	111.2
765	L	26	Very low	29.1	Very low	151 Å²	151	129.1 Å²	129.1	79%	0.791	69%	0.686	S	S	*	*			trans	82	128.9	169.7	-47.6	168.6	0	0	0	114.2
766	V	27.6	Very low	29.1	Very low	117 Å²	117	135.3 Å²	135.3	71%	0.709	70%	0.7	S	S	*	*			cis	-155.1	136.1	-2.3	114.2	0	0	0	0	109.6
767	V	26.6	Very low	28.5	Very low	125 Å²	125	134.5 Å²	134.5	76%	0.758	69%	0.693	S	S	*	*			trans	40.8	139.1	149.5	178.4	0	0	0	0	119.7
768	R	29.8	Very low	28.2	Very low	153 Å²	153	134.7 Å²	134.7	58%	0.577	70%	0.696	S	S	*	*			cis	-168.4	161.1	-16	-97.1	-178.5	131.9	-135.6	-2.4	102.9	I648	I648-R768 PolarHBondContact O-NH2 3.42Å
769	E	30.8	Very low	28.2	Very low	65 Å²	65	133.7 Å²	133.7	30%	0.304	69%	0.691	S	S	.	*			cis	-160.8	178.5	17.6	-148.9	85.6	-107	0	0	113.2	T651	T651-E769 WeakPolarHBondContact O-CB 3.2Å
770	F	29.3	Very low	28.2	Very low	127 Å²	127	133.2 Å²	133.2	56%	0.557	68%	0.682	S	S	*	*			trans	-22.1	162.8	146.4	-71.9	-154.6	0	0	0	118.8	A650	A650-F770 VanDerWaalsContact N-CD1 3.33Å
771	E	30	Very low	27.6	Very low	119 Å²	119	132.7 Å²	132.7	56%	0.556	68%	0.681	S	S	*	*			cis	-168.6	-178.2	9.1	-106.2	169.7	126.6	0	0	105.7	A650	A650-E771 WeakPolarHBondContact CA-OE2 3.43Å; A650-E771 WeakPolarHBondContact CB-OE2 3.03Å; A650-E771 PolarHBondContact N-OE2 2.87Å
772	N	29	Very low	27.5	Very low	115 Å²	115	133.9 Å²	133.9	62%	0.615	69%	0.686	S	S	*	*			cis	-170.5	171.3	-11.5	-99.6	-15.3	0	0	0	105.4
773	L	28.6	Very low	27.4	Very low	145 Å²	145	133.6 Å²	133.6	76%	0.759	69%	0.689	S	S	*	*			cis	-160.4	164.4	-20.2	-102.8	164.7	0	0	0	106.8
774	P	44.7	Very low	27.3	Very low	125 Å²	125	132.7 Å²	132.7	81%	0.812	68%	0.683	S	S	*	*			trans	-102.6	-179	177.2	40.2	-33	0	0	0	114.1
775	G	27.3	Very low	27.1	Very low	64 Å²	64	129.9 Å²	129.9	66%	0.66	68%	0.679	S	S	*	*			trans	174.2	144.6	169.1	0	0	0	0	0	109.4
776	E	26	Very low	27.2	Very low	188 Å²	188	127 Å²	127	88%	0.879	67%	0.672	S	S	*	*			cis	71.2	145.9	40.9	-65.9	-146.2	-134.3	0	0	114.8
777	T	25.1	Very low	27.2	Very low	95 Å²	95	128.4 Å²	128.4	58%	0.583	68%	0.675	S	S	*	*			cis	-164.3	147.7	-22.2	-78.5	0	0	0	0	107
778	E	24.3	Very low	27.2	Very low	172 Å²	172	128.7 Å²	128.7	80%	0.804	67%	0.672	S	S	*	*			trans	57.6	147.8	162.8	-77.4	174.7	170.7	0	0	124.5
779	E	24.9	Very low	27.1	Very low	138 Å²	138	129.1 Å²	129.1	65%	0.645	68%	0.681	S	S	*	*			trans	38.8	154.3	141.9	-64.4	-153.7	124.3	0	0	127
780	K	24	Very low	27	Very low	158 Å²	158	133.2 Å²	133.2	69%	0.687	71%	0.705	S	S	*	*			trans	71.8	101.8	140.9	-83.5	162.7	-172.2	151.6	0	121.8
781	S	20.9	Very low	26.8	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	71%	0.71	S	S	*	*				57	124.1	118.5	65.8	0	0	0	0	122.4
782	I	21.2	Very low	26.7	Very low	154 Å²	154	135.6 Å²	135.6	79%	0.79	72%	0.715	S	S	*	*			trans	75.9	96.6	133.6	-61.8	170.3	0	0	0	117.9
783	L	23.4	Very low	26.7	Very low	144 Å²	144	137.1 Å²	137.1	75%	0.754	72%	0.723	S	S	*	*				71.1	117.3	114.5	-158.3	78.8	0	0	0	121.8
784	L	25.2	Very low	26.8	Very low	122 Å²	122	135 Å²	135	64%	0.639	72%	0.72	S	S	*	*			trans	65.2	158.5	147.3	-70.9	174.4	0	0	0	120
785	E	25.5	Very low	26.2	Very low	158 Å²	158	140.5 Å²	140.5	74%	0.738	73%	0.725	S	S	*	*			cis	-90.9	-132.6	3.1	-144.4	69.5	-129.1	0	0	112.7
786	S	26.8	Very low	26.3	Very low	90 Å²	90	140.2 Å²	140.2	63%	0.629	72%	0.722	S	S	*	*			cis	-148.2	174.9	3.6	64.1	0	0	0	0	108.4
787	D	27	Very low	26.7	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	72%	0.719	S	S	*	*			cis	-142.7	179.1	16.3	-93.4	-70.4	0	0	0	111.7
788	N	27.5	Very low	27	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	73%	0.725	S	S	*	*			trans	-59.5	162.4	-177	-81.3	21.1	0	0	0	117.7
789	E	27.4	Very low	27.2	Very low	163 Å²	163	139.1 Å²	139.1	76%	0.762	72%	0.72	S	S	*	*			cis	-102.9	-107.9	7.4	-66.9	-78	134.9	0	0	114
790	D	28.3	Very low	27.2	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	73%	0.727	S	S	*	*			cis	-151.6	176.5	1.8	-168.4	15.6	0	0	0	111.1
791	E	26.7	Very low	27.3	Very low	141 Å²	141	140 Å²	140	66%	0.659	73%	0.728	S	S	*	*			trans	-61	146.6	-178.6	-66	-159.1	147.2	0	0	114.3
792	K	26.9	Very low	27.5	Very low	155 Å²	155	142.2 Å²	142.2	67%	0.674	73%	0.732	S	S	*	*			cis	-171.5	158	3.7	-106.1	164.7	-177.7	148.7	0	107.9
793	L	29.3	Very low	27.5	Very low	147 Å²	147	139.6 Å²	139.6	77%	0.77	73%	0.727	S	S	*	*			cis	-171.9	153.9	-26.7	-128.5	-174.1	0	0	0	109.7
794	S	31.1	Very low	27.5	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	73%	0.73	S	S	*	*			trans	74.5	145.9	156.1	87.2	0	0	0	0	118.7
795	R	30.9	Very low	27.6	Very low	240 Å²	240	140.3 Å²	140.3	91%	0.906	74%	0.74	S	S	*	*			cis	-163.2	140.5	-0.3	-140.2	176.9	-176.5	169.5	1	114.2
796	G	29.9	Very low	28.3	Very low	58 Å²	58	139 Å²	139	60%	0.598	75%	0.746	S	S	*	*				110	102.4	124.7	0	0	0	0	0	123.6
797	Q	34.2	Very low	28.3	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	75%	0.753	S	S	*	*				71.2	149.8	118.7	-73.9	174.7	-61.8	0	0	122.3
798	H	32.5	Very low	28.1	Very low	153 Å²	153	138.9 Å²	138.9	71%	0.708	76%	0.756	S	S	*	*			cis	-173.5	179.5	-20.2	-147.9	-105	0	0	0	113
799	C	28.2	Very low	28	Very low	103 Å²	103	140.1 Å²	140.1	70%	0.696	76%	0.761	S	S	*	*			trans	80.2	135.7	160.8	-70.3	0	0	0	0	118.8
800	M	25.3	Very low	27.9	Very low	159 Å²	159	138 Å²	138	78%	0.783	76%	0.76	S	S	*	*			cis	83.9	144.8	48.3	-65.8	-74.2	-169.9	0	0	112.4
801	E	25	Very low	28	Very low	155 Å²	155	138.3 Å²	138.3	72%	0.724	76%	0.76	S	S	*	*			cis	-166.3	151.9	23.8	-138.4	174.4	174.3	0	0	114.6
802	I	24.4	Very low	27.9	Very low	141 Å²	141	136.6 Å²	136.6	72%	0.723	76%	0.759	S	S	*	*			trans	56	148.5	137.9	-81.3	173.3	0	0	0	126.1
803	S	22.3	Very low	27.8	Very low	99 Å²	99	136.4 Å²	136.4	69%	0.692	76%	0.76	S	S	*	*			trans	106.2	98.3	145.4	60.6	0	0	0	0	124.8
804	S	22.7	Very low	27.9	Very low	115 Å²	115	138.1 Å²	138.1	80%	0.804	76%	0.761	S	S	*	*				60.1	119.2	121.1	68.7	0	0	0	0	125.4
805	L	27.5	Very low	27.8	Very low	166 Å²	166	137.5 Å²	137.5	87%	0.869	75%	0.75	S	S	*	*			trans	-60.4	179.9	142.4	-68	161	0	0	0	112
806	P	40.1	Very low	27.8	Very low	130 Å²	130	134 Å²	134	84%	0.844	74%	0.743	S	S	*	*			cis	-139.1	-163.5	11.1	44.2	-24.6	0	0	0	115.1
807	G	27.4	Very low	27.8	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	75%	0.752	S	S	*	*			trans	171.3	126.9	162.4	0	0	0	0	0	115.1
808	D	23.1	Very low	27.6	Very low	158 Å²	158	132.8 Å²	132.8	85%	0.845	75%	0.751	S	S	*	*			trans	-105.5	169.1	-179.7	-84.2	-54.4	0	0	0	113.7
809	L	24.6	Very low	27.4	Very low	156 Å²	156	131.7 Å²	131.7	82%	0.817	76%	0.756	S	S	*	*			trans	70.6	105.1	151.6	-79.8	156.1	0	0	0	120.8
810	V	25.5	Very low	27.4	Very low	120 Å²	120	132.3 Å²	132.3	73%	0.727	76%	0.756	S	S	*	*				19	125.4	129	-174.9	0	0	0	0	118.5
811	I	30.4	Very low	27.3	Very low	156 Å²	156	132.4 Å²	132.4	80%	0.8	76%	0.755	S	S	*	*			trans	-167.3	122.3	132.3	-105.2	158	0	0	0	113.4
812	V	25.4	Very low	28.2	Very low	105 Å²	105	129.2 Å²	129.2	64%	0.636	75%	0.747	S	S	*	*			trans	60.1	133.1	139.7	-177.1	0	0	0	0	122.2
813	E	24	Very low	28.6	Very low	151 Å²	151	129.3 Å²	129.3	71%	0.706	75%	0.749	S	S	*	*			trans	59.8	126.5	160.7	-75.8	163.7	-147	0	0	117.9
814	K	30.8	Very low	29.1	Very low	183 Å²	183	131.5 Å²	131.5	80%	0.796	75%	0.748	S	S	*	*	S	Bend	cis	-141.7	161.2	26.2	-76.5	-158.1	162.6	-178	0	112.6
815	D	30	Very low	29.5	Very low	89 Å²	89	129.6 Å²	129.6	48%	0.476	73%	0.731	S	S	.	*			cis	176	141.7	-24.4	-101.3	-27.4	0	0	0	106.6
816	H	30.3	Very low	29.6	Very low	165 Å²	165	125.5 Å²	125.5	76%	0.764	71%	0.713	S	S	*	*			cis	-132.6	168.9	-10.8	-45.2	-80.3	0	0	0	106.9
817	S	30.1	Very low	29.2	Very low	110 Å²	110	126.2 Å²	126.2	77%	0.769	70%	0.703	S	S	*	*			cis	-161.4	137.4	17.7	51.7	0	0	0	0	112.6
818	A	29.5	Very low	29.1	Very low	98 Å²	98	127 Å²	127	81%	0.81	69%	0.693	S	S	*	*			trans	69.8	167.2	166.2	0	0	0	0	0	116.4
819	T	29.7	Very low	29.3	Very low	131 Å²	131	127.8 Å²	127.8	80%	0.804	69%	0.691	S	S	*	*			cis	-175	154.6	-13.2	-111.6	0	0	0	0	108.8
820	T	27.4	Very low	29.3	Very low	115 Å²	115	125.5 Å²	125.5	71%	0.706	68%	0.684	S	S	*	*			cis	-156.6	-137.2	-24	-64.3	0	0	0	0	107.8
821	E	23.1	Very low	29.2	Very low	161 Å²	161	129 Å²	129	75%	0.752	69%	0.69	S	S	*	*			trans	-165	173.1	-144.9	-91.2	-98.4	98.8	0	0	112.1
822	P	43.8	Very low	28.8	Very low	88 Å²	88	126.2 Å²	126.2	57%	0.571	68%	0.684	S	S	*	*			cis	-152.6	-172.8	-20.4	41	-20	0	0	0	120.8
823	L	32.9	Very low	28.9	Very low	144 Å²	144	127.4 Å²	127.4	75%	0.754	69%	0.691	S	S	*	*			trans	78.7	158.4	149.1	-101.6	74.4	0	0	0	121.2
824	H	32.3	Very low	29	Very low	145 Å²	145	126.5 Å²	126.5	67%	0.671	70%	0.696	S	S	*	*			cis	-173.1	171.8	-16.8	-140.2	177.6	0	0	0	117.8
825	V	31.4	Very low	30	Very low	75 Å²	75	123.2 Å²	123.2	46%	0.455	69%	0.693	S	S	.	*			trans	89.8	94.3	147.9	177.1	0	0	0	0	126.1
826	T	30.7	Very low	30.1	Very low	80 Å²	80	125.7 Å²	125.7	49%	0.491	71%	0.706	S	S	.	*				51.1	138.7	128.4	81.1	0	0	0	0	128.8	E596	E596-T826 PolarHBondContact O-N 3.26Å
827	K	30.1	Very low	30.2	Very low	145 Å²	145	125.4 Å²	125.4	63%	0.63	71%	0.705	S	S	*	*				123.3	112.2	108.4	-111.2	177.6	179.7	180	0	123.5
828	T	25	Very low	30.4	Very low	93 Å²	93	125 Å²	125	57%	0.571	69%	0.694	S	S	*	*				70.2	113.7	129.5	46.8	0	0	0	0	127.2
829	Q	28.4	Very low	30.7	Very low	173 Å²	173	128.6 Å²	128.6	81%	0.808	69%	0.692	S	S	*	*				82.5	145.7	118.3	-121.3	-177.2	5.9	0	0	127
830	T	23.8	Very low	31.2	Very low	108 Å²	108	129.7 Å²	129.7	66%	0.663	69%	0.693	S	S	*	*			trans	85.4	113.8	148.8	53.4	0	0	0	0	126.4
831	F	24.6	Very low	31.6	Very low	195 Å²	195	129.2 Å²	129.2	86%	0.855	69%	0.686	S	S	*	*				59.6	137.4	127.7	-81.1	-76.7	0	0	0	128.6
832	S	22	Very low	32.2	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	67%	0.674	S	S	*	*			trans	67.9	107.7	135.7	65.5	0	0	0	0	126.4
833	V	26.7	Very low	31.8	Very low	130 Å²	130	125.3 Å²	125.3	79%	0.788	66%	0.661	S	S	*	*				53	109.3	111.2	179.6	0	0	0	0	122.3
834	V	27.4	Very low	31.6	Very low	131 Å²	131	124.6 Å²	124.6	79%	0.794	66%	0.656	S	S	*	*				52.9	155.3	124.3	-178.4	0	0	0	0	120.6
835	P	51.7	Low	31.6	Very low	114 Å²	114	125.8 Å²	125.8	74%	0.74	66%	0.659	S	S	*	*			cis	-130.4	-169.9	-6.7	30.6	-6.4	0	0	0	117.4
836	N	32.1	Very low	31.6	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	67%	0.674	S	S	*	*			trans	-41.4	167.2	166.2	-43.1	-15.7	0	0	0	117.5
837	Q	31.5	Very low	31.3	Very low	159 Å²	159	132.7 Å²	132.7	74%	0.743	69%	0.689	S	S	*	*			cis	-155.7	-147.3	9.1	-137.3	166.4	-86.8	0	0	110
838	D	34.7	Very low	31	Very low	100 Å²	100	131.2 Å²	131.2	54%	0.535	69%	0.692	S	S	.	*			cis	-166.1	166.1	8	-151.5	10.6	0	0	0	115.5
839	K	35.7	Very low	31	Very low	174 Å²	174	133.5 Å²	133.5	76%	0.757	71%	0.706	S	S	*	*			trans	66.9	169	152.9	-83.8	-179.8	-170.3	81.7	0	125.4
840	N	41.1	Very low	30.8	Very low	154 Å²	154	128.4 Å²	128.4	82%	0.824	70%	0.699	S	S	*	*			trans	-127.3	-174.4	-162.9	-44.9	-32.6	0	0	0	114
841	N	35.1	Very low	30.8	Very low	105 Å²	105	129.4 Å²	129.4	56%	0.561	71%	0.705	S	S	*	*			trans	-141.3	-109	145.2	-147.1	17.8	0	0	0	118.5	Y633	Y633-N841 VanDerWaalsContact O-CB 3.27Å; Y633-N841 WeakPolarHBondContact O-CB 3.29Å
842	E	34.7	Very low	30.9	Very low	106 Å²	106	124.8 Å²	124.8	50%	0.495	70%	0.697	S	S	.	*	B	Isolated β-bridge	trans	-147	-173.1	-130	-130	-168.9	115.5	0	0	121.8	E631 Q632	E631-E842 PolarHBondContact N-O 2.66Å; Q632-E842 PolarHBondContact N-O 2.87Å; Q632-E842 PolarHBondContact O-N 3.34Å
843	I	35.7	Very low	31	Very low	62 Å²	62	128 Å²	128	32%	0.318	70%	0.701	S	S	.	*			trans	84.9	169.1	158.2	-55.6	-118.7	0	0	0	118.2	E631 Q632	E631-I843 HydrophobicContact CB-CB 3.93Å; E631-I843 HydrophobicContact CB-CG2 3.93Å; Q632-I843 HydrophobicContact CB-CB 4.23Å; Q632-I843 HydrophobicContact CB-CG1 4.31Å; Q632-I843 HydrophobicContact CG-CB 4.46Å
844	M	30.2	Very low	30.9	Very low	128 Å²	128	128.4 Å²	128.4	63%	0.631	70%	0.698	S	S	*	*			trans	-142.3	158	-145.5	-45	173.7	-78.6	0	0	116.1	S630	S630-M844 VanDerWaalsContact OG-C 3.31Å
845	K	32	Very low	30.8	Very low	171 Å²	171	127.6 Å²	127.6	74%	0.743	70%	0.698	S	S	*	*				-179.3	123.2	111.3	-98.6	161.3	-172.9	166.7	0	118.7
846	L	29.6	Very low	30.8	Very low	148 Å²	148	127.3 Å²	127.3	78%	0.775	70%	0.696	S	S	*	*				54.8	133.1	128.6	-69.4	175.5	0	0	0	125.2
847	L	25.4	Very low	30.7	Very low	151 Å²	151	131.3 Å²	131.3	79%	0.791	70%	0.7	S	S	*	*			trans	105.5	119.7	135.8	-79.1	161.4	0	0	0	123.7
848	T	23	Very low	30.4	Very low	115 Å²	115	130.8 Å²	130.8	71%	0.706	70%	0.703	S	S	*	*			trans	86.1	81.3	141	-42.9	0	0	0	0	123.4
849	V	25	Very low	30	Very low	141 Å²	141	133.6 Å²	133.6	86%	0.855	72%	0.716	S	S	*	*				28.3	131.7	115.5	-176.4	0	0	0	0	122.4
850	G	24.6	Very low	29.3	Very low	65 Å²	65	132.3 Å²	132.3	67%	0.67	72%	0.718	S	S	*	*			trans	130	149.4	140.4	0	0	0	0	0	116.7
851	T	25	Very low	29.7	Very low	130 Å²	130	129.7 Å²	129.7	80%	0.798	71%	0.709	S	S	*	*			cis	-167.9	147.7	-16.4	-0.7	0	0	0	0	111
852	S	25.1	Very low	29.2	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	72%	0.719	S	S	*	*			trans	61.7	127.4	146.4	-59.4	0	0	0	0	125.2
853	E	24.8	Very low	28.7	Very low	163 Å²	163	133 Å²	133	76%	0.762	73%	0.728	S	S	*	*				78.8	116	125.2	-68.8	-175.3	168.6	0	0	125.9
854	I	25	Very low	28.3	Very low	140 Å²	140	139.2 Å²	139.2	72%	0.718	76%	0.756	S	S	*	*				73.2	140.5	118.4	-63	169.7	0	0	0	122.5
855	S	24.2	Very low	28.2	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	76%	0.757	S	S	*	*			trans	87.4	157.8	155.5	-86.1	0	0	0	0	121.8
856	P	53.3	Low	28	Very low	107 Å²	107	136.2 Å²	136.2	70%	0.695	76%	0.76	S	S	*	*			trans	-128.4	169.4	-156.6	43.1	-27.5	0	0	0	117.2
857	R	30	Very low	27.8	Very low	226 Å²	226	136.4 Å²	136.4	85%	0.853	76%	0.761	S	S	*	*			trans	35.1	120.4	147	-67.5	-175.3	-175.5	-178.9	1.5	120.2
858	D	25.4	Very low	28	Very low	148 Å²	148	132.8 Å²	132.8	79%	0.791	76%	0.759	S	S	*	*				-178.8	-177.5	93.9	-99.9	-19.9	0	0	0	111.7
859	I	25.4	Very low	28.3	Very low	160 Å²	160	135.6 Å²	135.6	82%	0.821	77%	0.765	S	S	*	*			trans	84.5	120.7	160.1	-32	-174.8	0	0	0	119.7
860	D	21.8	Very low	28.2	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	75%	0.754	S	S	*	*			trans	-25.1	-175	138.6	-107.1	-22.2	0	0	0	118.5
861	P	49.4	Very low	28.1	Very low	99 Å²	99	135 Å²	135	64%	0.643	76%	0.757	S	S	*	*			cis	-136.9	-169.6	-26.8	32.9	-11.9	0	0	0	113.5
862	H	23.4	Very low	28.1	Very low	167 Å²	167	135.9 Å²	135.9	77%	0.773	75%	0.752	S	S	*	*			trans	79.7	117.2	140.4	-134.7	-104.5	0	0	0	121.6
863	V	24.8	Very low	28.5	Very low	113 Å²	113	136.1 Å²	136.1	69%	0.685	75%	0.745	S	S	*	*			trans	36.6	118	138.8	-177.6	0	0	0	0	119.7
864	E	27.9	Very low	28.7	Very low	192 Å²	192	136.3 Å²	136.3	90%	0.897	75%	0.745	S	S	*	*				-159.2	167.6	113.9	-135.5	160.7	-159.5	0	0	114.6
865	G	27.8	Very low	29.1	Very low	64 Å²	64	135.9 Å²	135.9	66%	0.66	74%	0.738	S	S	*	*			trans	66.1	73.1	135.5	0	0	0	0	0	118.1
866	Q	26.9	Very low	29.2	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	73%	0.733	S	S	*	*				43	124	94.6	-92.8	-164.2	-2.7	0	0	117.7
867	I	24.8	Very low	27.9	Very low	152 Å²	152	140.1 Å²	140.1	78%	0.779	74%	0.738	S	S	*	*			trans	68.6	76.4	145.6	-51.4	165.5	0	0	0	115.2
868	G	31.4	Very low	27.7	Very low	74 Å²	74	135 Å²	135	76%	0.763	73%	0.731	S	S	*	*			trans	-110.8	107.1	158.4	0	0	0	0	0	111
869	Q	28.3	Very low	27.5	Very low	175 Å²	175	132.8 Å²	132.8	82%	0.818	73%	0.728	S	S	*	*			trans	12.6	129.8	143.3	-61.1	171	-9.4	0	0	117.5
870	V	22.8	Very low	27.6	Very low	103 Å²	103	132.9 Å²	132.9	62%	0.624	72%	0.722	S	S	*	*				50.3	99.4	72.6	-177.2	0	0	0	0	108.9	E872	V870-E872 HydrophobicContact CG1-CB 3.87Å; V870-E872 HydrophobicContact CG1-CG 4.15Å
871	A	22.9	Very low	28.1	Very low	90 Å²	90	130.8 Å²	130.8	74%	0.744	71%	0.711	S	S	*	*				55.1	179.9	72.9	0	0	0	0	0	113.4
872	E	25.8	Very low	27.2	Very low	149 Å²	149	132.7 Å²	132.7	70%	0.696	72%	0.716	S	S	*	*			trans	68.6	128.3	157	-70.4	-155.8	121.6	0	0	121.5	V870	V870-E872 HydrophobicContact CG1-CB 3.87Å; V870-E872 HydrophobicContact CG1-CG 4.15Å
873	I	31.7	Very low	27.5	Very low	103 Å²	103	132 Å²	132	53%	0.528	72%	0.718	S	S	.	*				77.9	100.7	129.6	-66.8	176.1	0	0	0	117.5	K875	I873-K875 HydrophobicContact CG2-CB 4.34Å; I873-K875 HydrophobicContact CG2-CG 3.64Å
874	Q	29.6	Very low	27.8	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	72%	0.72	S	S	*	*	S	Bend		-104.6	110.4	85.6	-61.6	-151.6	38.7	0	0	108.7
875	K	32.9	Very low	27.6	Very low	131 Å²	131	132.4 Å²	132.4	57%	0.57	72%	0.717	S	S	*	*				94.4	130.6	80.7	-81.9	174.5	-165.7	159.6	0	109.4	I873	I873-K875 HydrophobicContact CG2-CB 4.34Å; I873-K875 HydrophobicContact CG2-CG 3.64Å
876	N	27.8	Very low	27.6	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	72%	0.719	S	S	*	*			cis	-149.8	131.9	13.4	-104.7	-36.3	0	0	0	114
877	K	26	Very low	27.7	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.787	72%	0.724	S	S	*	*			trans	60.3	111.7	139.3	-75.9	-160.9	167.4	-170.1	0	123.2
878	V	23.8	Very low	27.9	Very low	118 Å²	118	134.8 Å²	134.8	72%	0.715	72%	0.724	S	S	*	*				98.7	126.9	112.2	167.2	0	0	0	0	120.7
879	S	22.9	Very low	27.7	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	73%	0.729	S	S	*	*			trans	69	142.5	160.2	63.4	0	0	0	0	118
880	K	27.2	Very low	28.1	Very low	162 Å²	162	136.7 Å²	136.7	70%	0.704	73%	0.728	S	S	*	*			cis	-163.1	154.4	-5.2	-121.3	-172.3	144.4	-74.7	0	108.9
881	D	31.4	Very low	28.2	Very low	103 Å²	103	135.5 Å²	135.5	55%	0.551	74%	0.737	S	S	*	*			trans	64.5	159.3	148.7	-48.9	-6.9	0	0	0	120.9
882	D	31.4	Very low	28.6	Very low	138 Å²	138	140 Å²	140	74%	0.738	74%	0.742	S	S	*	*			cis	-166.5	163.4	-38.6	-93.3	-30.8	0	0	0	111.2
883	D	30	Very low	28.7	Very low	153 Å²	153	142 Å²	142	82%	0.818	75%	0.751	S	S	*	*			trans	74.5	174.9	149.5	-109.8	-27.8	0	0	0	125.7
884	I	30.1	Very low	28.4	Very low	143 Å²	143	140.7 Å²	140.7	73%	0.733	76%	0.763	S	S	*	*			trans	-120	154.5	-162.7	-57.2	159.2	0	0	0	111.4
885	M	24.5	Very low	28.3	Very low	171 Å²	171	139.8 Å²	139.8	84%	0.842	76%	0.764	S	S	*	*			trans	168.2	175.1	134.5	-92.2	-59.8	-77.3	0	0	115.9
886	S	27.6	Very low	28.1	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	77%	0.773	S	S	*	*			trans	-112.5	175.2	-179.6	-52.3	0	0	0	0	113.5
887	E	28.4	Very low	28	Very low	193 Å²	193	139.3 Å²	139.3	90%	0.902	77%	0.774	S	S	*	*			trans	76.5	167.1	159.2	-76	-170.6	163.7	0	0	120.9
888	D	30	Very low	28.1	Very low	145 Å²	145	136 Å²	136	78%	0.775	77%	0.77	S	S	*	*			trans	-64.5	161.1	-167	-58.3	-44.2	0	0	0	115.5
889	L	25.8	Very low	28.3	Very low	166 Å²	166	139 Å²	139	87%	0.869	77%	0.774	S	S	*	*				-179.4	140.8	127.4	-101.9	154.7	0	0	0	113.8
890	P	37	Very low	28.6	Very low	124 Å²	124	140.9 Å²	140.9	81%	0.805	78%	0.775	S	S	*	*			trans	-108	119.5	158.9	34.3	-25.9	0	0	0	112
891	G	25.6	Very low	29.1	Very low	78 Å²	78	142.3 Å²	142.3	80%	0.804	78%	0.783	S	S	*	*			trans	177.6	147.4	175.8	0	0	0	0	0	113.3
892	H	30.5	Very low	28.9	Very low	185 Å²	185	145 Å²	145	86%	0.856	79%	0.793	S	S	*	*			trans	-102.2	133.7	-168.9	-110.9	-57.9	0	0	0	114.5
893	Q	28.1	Very low	28.4	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	80%	0.796	S	S	*	*			trans	69.7	122	136.6	-167.7	175	18.5	0	0	120.5
894	G	26.7	Very low	28.1	Very low	76 Å²	76	142.9 Å²	142.9	78%	0.784	79%	0.794	S	S	*	*			trans	158.9	75.2	160.9	0	0	0	0	0	119.6
895	D	27.4	Very low	27.8	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	80%	0.801	S	S	*	*			trans	14.9	127	154	-76.6	-14.7	0	0	0	125.1
896	L	28.5	Very low	28	Very low	146 Å²	146	148.3 Å²	148.3	76%	0.764	80%	0.802	S	S	*	*				76.1	129.1	124.8	-64.4	171.4	0	0	0	124.5
897	S	25.5	Very low	28.1	Very low	103 Å²	103	149.4 Å²	149.4	72%	0.72	80%	0.796	S	S	*	*			trans	79	154.3	137.1	78.5	0	0	0	0	120.6
898	T	27.5	Very low	28.5	Very low	113 Å²	113	147.9 Å²	147.9	69%	0.693	79%	0.786	S	S	*	*			cis	-167.3	168.3	-29.6	32.5	0	0	0	0	110.3
899	F	27.8	Very low	29.2	Very low	180 Å²	180	147.9 Å²	147.9	79%	0.789	79%	0.785	S	S	*	*			trans	81.4	137.4	140.9	-82.8	-51.2	0	0	0	124.6
900	L	30.1	Very low	29.1	Very low	143 Å²	143	144.6 Å²	144.6	75%	0.749	78%	0.782	S	S	*	*			trans	87	135.7	135.3	-78.6	166.8	0	0	0	123.4
901	H	37.6	Very low	29.3	Very low	191 Å²	191	143.9 Å²	143.9	88%	0.884	78%	0.777	S	S	*	*			trans	-119.9	124.9	161	-101.9	-80.2	0	0	0	107.5
902	Q	26	Very low	29.7	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.752	78%	0.777	S	S	*	*			trans	-157.8	168.9	162.3	-159.3	156.3	-3.1	0	0	113.6
903	E	22.2	Very low	29.9	Very low	169 Å²	169	146.8 Å²	146.8	79%	0.79	76%	0.764	S	S	*	*			trans	-46.7	153.3	-179.7	-55.4	156.3	86.4	0	0	117.2
904	G	23.9	Very low	30	Very low	77 Å²	77	140.8 Å²	140.8	79%	0.794	75%	0.753	S	S	*	*			trans	-172.4	123.4	163.8	0	0	0	0	0	113.8
905	K	23.4	Very low	30.1	Very low	203 Å²	203	144.1 Å²	144.1	88%	0.883	75%	0.748	S	S	*	*			trans	-79.7	156.7	169.4	-69.5	173.1	-178.7	168.6	0	110.3
906	R	27.7	Very low	30	Very low	224 Å²	224	142.7 Å²	142.7	85%	0.845	74%	0.74	S	S	*	*			trans	80.7	147.6	172.8	-55.7	-178.6	175	151.6	-1.2	114.8
907	E	29.6	Very low	29.8	Very low	124 Å²	124	143.7 Å²	143.7	58%	0.579	74%	0.738	S	S	*	*			cis	-176.5	161.4	-22.4	-111	177.4	94	0	0	105
908	K	37.4	Very low	29.7	Very low	160 Å²	160	146.6 Å²	146.6	70%	0.696	74%	0.74	S	S	*	*			trans	69.9	145.9	146.8	-81.6	164.6	176.8	137.8	0	120.9
909	I	44	Very low	29.5	Very low	145 Å²	145	146.5 Å²	146.5	74%	0.744	74%	0.743	S	S	*	*			trans	73.1	94.6	145.3	-65.4	161.1	0	0	0	116.9
910	A	24.9	Very low	29.2	Very low	98 Å²	98	144 Å²	144	81%	0.81	74%	0.742	S	S	*	*			trans	-71.8	148.1	134.6	0	0	0	0	0	109
911	P	41.4	Very low	29	Very low	108 Å²	108	142.3 Å²	142.3	70%	0.701	74%	0.742	S	S	*	*				-144.8	178	94.2	42.7	-28.7	0	0	0	111.4
912	R	33.6	Very low	28.3	Very low	216 Å²	216	143 Å²	143	82%	0.815	75%	0.746	S	S	*	*			cis	-161.2	148.3	-11.1	-125.8	-175	156.9	-168.5	-6.2	105.6
913	N	33.7	Very low	28.1	Very low	108 Å²	108	141.5 Å²	141.5	58%	0.578	74%	0.743	S	S	*	*			cis	-147.5	-176.7	-11.7	-133.2	32.7	0	0	0	105.4	E915	N913-E915 WeakPolarHBondContact ND2-CG 3.24Å; N913-E915 PolarHBondContact ND2-OE1 2.99Å
914	G	31.6	Very low	28.2	Very low	63 Å²	63	140.1 Å²	140.1	65%	0.649	74%	0.736	S	S	*	*			cis	136.3	143.5	4.4	0	0	0	0	0	109.3
915	E	28	Very low	28.2	Very low	147 Å²	147	144.8 Å²	144.8	69%	0.687	74%	0.737	S	S	*	*			cis	-156	154.5	14.1	-64.6	-166.9	167.1	0	0	108.8	N913	N913-E915 WeakPolarHBondContact ND2-CG 3.24Å; N913-E915 PolarHBondContact ND2-OE1 2.99Å
916	L	25.9	Very low	28.3	Very low	117 Å²	117	139.1 Å²	139.1	61%	0.613	74%	0.736	S	S	*	*			cis	-161.2	137.9	-8.6	-137.3	88.5	0	0	0	110.6
917	F	23.8	Very low	28.3	Very low	168 Å²	168	133 Å²	133	74%	0.737	73%	0.734	S	S	*	*			trans	70.6	136.2	139.4	-77.4	-157.8	0	0	0	120.7
918	H	24.1	Very low	29.1	Very low	164 Å²	164	132.2 Å²	132.2	76%	0.759	74%	0.739	S	S	*	*				66.5	149.1	79.5	-79.4	-88.2	0	0	0	114.4
919	C	22.1	Very low	28.6	Very low	111 Å²	111	130.1 Å²	130.1	75%	0.75	74%	0.741	S	S	*	*			cis	-152.4	-174.3	11.8	-142.9	0	0	0	0	113.2
920	V	22.1	Very low	27.7	Very low	126 Å²	126	134 Å²	134	76%	0.764	75%	0.746	S	S	*	*			trans	-112.2	142	169.8	173.5	0	0	0	0	110.4
921	S	26.9	Very low	27.8	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	74%	0.743	S	S	*	*			trans	46.7	118.1	165.6	66	0	0	0	0	120.3
922	E	21.6	Very low	27.1	Very low	205 Å²	205	139.5 Å²	139.5	96%	0.958	75%	0.747	S	S	*	*			trans	-140.7	179.5	134	-144.3	168.3	-138	0	0	109.3
923	N	23	Very low	26.6	Very low	131 Å²	131	136.9 Å²	136.9	70%	0.701	75%	0.746	S	S	*	*			trans	-113.9	164.9	-141.4	-159.3	23.5	0	0	0	116.3
924	E	23.7	Very low	26.2	Very low	139 Å²	139	137.3 Å²	137.3	65%	0.65	75%	0.753	S	S	*	*			trans	71.5	131.6	153.7	-86.5	165.3	-147.8	0	0	123.9
925	H	24.7	Very low	26.1	Very low	175 Å²	175	145.4 Å²	145.4	81%	0.81	76%	0.764	S	S	*	*			trans	58.1	102.5	144.6	-59.3	-39.5	0	0	0	121.9
926	G	25.3	Very low	25.9	Very low	84 Å²	84	144.1 Å²	144.1	87%	0.866	77%	0.771	S	S	*	*			trans	179.9	78.7	163.1	0	0	0	0	0	115.4
927	A	27.3	Very low	25.9	Very low	96 Å²	96	143.5 Å²	143.5	79%	0.793	78%	0.776	S	S	*	*			trans	-109.6	175.3	175.9	0	0	0	0	0	111.1
928	P	46	Very low	25.9	Very low	107 Å²	107	144.5 Å²	144.5	70%	0.695	78%	0.78	S	S	*	*			cis	-133.7	-157.1	-10.1	30.5	-6.6	0	0	0	112.8
929	T	26.8	Very low	26	Very low	117 Å²	117	142.8 Å²	142.8	72%	0.718	78%	0.782	S	S	*	*			trans	80.9	153.3	163.2	81.6	0	0	0	0	117
930	R	26.4	Very low	26.1	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	78%	0.777	S	S	*	*			cis	-156.9	-173.6	-17.6	-117.8	172.9	-175.4	177.2	2.7	108.9
931	K	26.7	Very low	26.4	Very low	175 Å²	175	146.6 Å²	146.6	76%	0.761	78%	0.778	S	S	*	*			trans	-36.1	151.4	161.2	-47.1	174.4	177.2	-176.9	0	112.8
932	D	24.9	Very low	26.3	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	78%	0.775	S	S	*	*				-178.9	174.6	85.3	-110.4	-46.9	0	0	0	115.5
933	M	24.3	Very low	26.5	Very low	162 Å²	162	143.2 Å²	143.2	80%	0.798	76%	0.761	S	S	*	*			trans	-76.8	138.3	170.7	-96.5	166.2	41.8	0	0	113.3
934	V	25.9	Very low	26.7	Very low	117 Å²	117	148.2 Å²	148.2	71%	0.709	77%	0.77	S	S	*	*			trans	80.1	128.3	136.6	173.2	0	0	0	0	120.7
935	R	28	Very low	27	Very low	233 Å²	233	148.8 Å²	148.8	88%	0.879	78%	0.776	S	S	*	*			trans	95.7	107.4	149.4	-96.5	170.5	-177.7	166.2	1.9	122.7
936	S	23.9	Very low	27.5	Very low	120 Å²	120	145.5 Å²	145.5	84%	0.839	77%	0.77	S	S	*	*			trans	-163	154.6	140.8	-85	0	0	0	0	108.1
937	S	26.1	Very low	27.5	Very low	103 Å²	103	147 Å²	147	72%	0.72	76%	0.762	S	S	*	*			cis	-165.8	160.8	-16.4	70.8	0	0	0	0	108.1
938	F	25.1	Very low	27.5	Very low	189 Å²	189	150.2 Å²	150.2	83%	0.829	77%	0.765	S	S	*	*			cis	-153	-55	-12.8	-138.4	-52.4	0	0	0	113.1
939	V	26	Very low	26.7	Very low	129 Å²	129	148.3 Å²	148.3	78%	0.782	76%	0.758	S	S	*	*			trans	-101.4	129.7	-170.8	163.9	0	0	0	0	109.2
940	T	24.2	Very low	26.8	Very low	106 Å²	106	150.2 Å²	150.2	65%	0.65	76%	0.759	S	S	*	*			cis	113.5	124.8	19.9	58.5	0	0	0	0	114.5
941	R	27.4	Very low	27	Very low	211 Å²	211	146.8 Å²	146.8	80%	0.796	75%	0.752	S	S	*	*			trans	92.7	122.5	141.1	-79.3	174.7	176.5	-149.6	-0.3	123.4
942	H	24.8	Very low	27.2	Very low	146 Å²	146	144.9 Å²	144.9	68%	0.676	75%	0.749	S	S	*	*			trans	81.6	96	131.7	-64.6	-41.1	0	0	0	122.5
943	S	26.3	Very low	27.3	Very low	96 Å²	96	144.4 Å²	144.4	67%	0.671	75%	0.747	S	S	*	*				52	137.6	118.3	66.7	0	0	0	0	122.6
944	R	26.7	Very low	27.5	Very low	235 Å²	235	141.3 Å²	141.3	89%	0.887	74%	0.741	S	S	*	*				-174.5	146.5	118.8	-100.7	158.3	-165.4	-150.7	3.5	115.6
945	I	31.2	Very low	27.7	Very low	152 Å²	152	141.7 Å²	141.7	78%	0.779	74%	0.744	S	S	*	*			trans	-99.5	136.2	145.1	-64.9	163.9	0	0	0	103.6	V947	I945-V947 HydrophobicContact CG2-CG2 4.21Å
946	P	34.1	Very low	27.9	Very low	105 Å²	105	137.5 Å²	137.5	68%	0.682	74%	0.738	S	S	*	*				-136.1	166.6	74	13.2	14	0	0	0	114.2
947	V	26	Very low	28.2	Very low	116 Å²	116	140 Å²	140	70%	0.703	74%	0.736	S	S	*	*				75.7	140.3	52.9	-169.2	0	0	0	0	114.1	I945	I945-V947 HydrophobicContact CG2-CG2 4.21Å
948	L	26.9	Very low	28.4	Very low	164 Å²	164	139.8 Å²	139.8	86%	0.859	74%	0.735	S	S	*	*			trans	83.7	151.9	179.2	-53.1	178.9	0	0	0	116.6
949	A	28.3	Very low	28.6	Very low	66 Å²	66	135.8 Å²	135.8	55%	0.545	73%	0.73	S	S	.	*			cis	179.7	161.8	-29	0	0	0	0	0	109
950	Q	30.5	Very low	28.8	Very low	158 Å²	158	135 Å²	135	74%	0.738	73%	0.731	S	S	*	*			trans	66.5	149.5	146	-80.7	-179.4	-62.5	0	0	118.9
951	E	29.3	Very low	29.3	Very low	152 Å²	152	135.1 Å²	135.1	71%	0.71	74%	0.736	S	S	*	*			cis	-172.3	-169.8	-15.2	-149.3	164.2	-118.3	0	0	108
952	I	30.7	Very low	29.5	Very low	135 Å²	135	130.7 Å²	130.7	69%	0.692	73%	0.732	S	S	*	*			trans	78.2	87.8	160.3	-36.3	-165.6	0	0	0	119.6
953	D	27.9	Very low	30	Very low	138 Å²	138	128.9 Å²	128.9	74%	0.738	74%	0.736	S	S	*	*				61.5	111.6	125.6	-58.5	-30.5	0	0	0	125.3
954	S	29.2	Very low	30.6	Very low	97 Å²	97	128.6 Å²	128.6	68%	0.678	74%	0.739	S	S	*	*				66.3	126.2	112.9	-56.4	0	0	0	0	122.2
955	T	29.6	Very low	31.1	Very low	125 Å²	125	126.3 Å²	126.3	77%	0.767	74%	0.736	S	S	*	*				-176.7	126.5	90.9	25.5	0	0	0	0	116.4
956	L	31.8	Very low	31.8	Very low	144 Å²	144	125.8 Å²	125.8	75%	0.754	73%	0.73	S	S	*	*			trans	64.3	132.4	139.7	-73	159.2	0	0	0	124.3
957	E	29.3	Very low	32.1	Very low	173 Å²	173	130.3 Å²	130.3	81%	0.808	74%	0.739	S	S	*	*			trans	71.7	137.7	150	-69.5	-179.3	-158.3	0	0	120.4
958	S	30.6	Very low	32.7	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	75%	0.745	S	S	*	*			cis	-163.9	160.4	-8	56.2	0	0	0	0	114.6
959	S	30.6	Very low	33.3	Very low	104 Å²	104	132 Å²	132	73%	0.727	74%	0.743	S	S	*	*			trans	79.7	89.2	153.3	72.3	0	0	0	0	123.6
960	S	29.5	Very low	33.8	Very low	113 Å²	113	137.8 Å²	137.8	79%	0.79	76%	0.759	S	S	*	*				88.3	157.8	126.5	82.8	0	0	0	0	123.4
961	S	33.9	Very low	34.2	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	77%	0.768	S	S	*	*			trans	80.6	59.9	169.1	69.2	0	0	0	0	120.7
962	V	32.2	Very low	34.2	Very low	117 Å²	117	143 Å²	143	71%	0.709	78%	0.777	S	S	*	*			trans	16.3	117.7	139.7	-174.5	0	0	0	0	118.4	E966	V962-E966 WeakPolarHBondContact CG1-OE2 3.27Å
963	S	36.3	Very low	34.2	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	78%	0.777	S	S	*	*			trans	-114	172.4	170.4	-171.9	0	0	0	0	113	K965	S963-K965 PolarHBondContact O-N 2.79Å
964	A	37.9	Very low	34.2	Very low	90 Å²	90	145.8 Å²	145.8	74%	0.744	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	12.9	-154.2	0	0	0	0	0	118.4
965	K	37	Very low	34.2	Very low	188 Å²	188	149 Å²	149	82%	0.817	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-20.9	175.3	-152	170.4	-176.3	178.3	0	112.7	S963	S963-K965 PolarHBondContact O-N 2.79Å
966	E	45.5	Very low	34.7	Very low	140 Å²	140	147.5 Å²	147.5	65%	0.654	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-80.5	-13.5	-174.7	-153	177.6	164	0	0	114.7	V962	V962-E966 WeakPolarHBondContact CG1-OE2 3.27Å
967	K	40.5	Very low	34.7	Very low	201 Å²	201	145.7 Å²	145.7	87%	0.874	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-85.1	-2.2	174.8	-75.8	-172.4	176.6	177.8	0	114.7
968	L	39.4	Very low	34.9	Very low	157 Å²	157	143.5 Å²	143.5	82%	0.822	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-95.6	1.7	-179.9	-152	68.4	0	0	0	114.2
969	L	40.2	Very low	35	Very low	159 Å²	159	143.6 Å²	143.6	83%	0.832	77%	0.765	S	S	*	*	S	Bend	trans	-119.1	12.4	-176.3	-90.7	168.8	0	0	0	116
970	Q	39	Very low	35.4	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	76%	0.761	S	S	*	*	S	Bend	trans	-123.6	48.4	170.8	-69.3	-164.8	2.2	0	0	114
971	K	37.4	Very low	35.8	Very low	212 Å²	212	146.6 Å²	146.6	92%	0.922	76%	0.757	S	S	*	*			trans	-148.9	49.1	160.8	-142	166.8	-172.4	176.4	0	115.4
972	K	30.5	Very low	35.9	Very low	208 Å²	208	148.5 Å²	148.5	90%	0.904	76%	0.758	S	S	*	*			trans	-109.1	152.3	157.6	-119.2	178	-178.1	176.1	0	109.1
973	A	29	Very low	36.1	Very low	85 Å²	85	148.5 Å²	148.5	70%	0.702	76%	0.758	S	S	*	*			trans	65.5	90.9	-173.4	0	0	0	0	0	116
974	Y	29.3	Very low	36.3	Very low	247 Å²	247	151.8 Å²	151.8	97%	0.969	76%	0.761	S	S	*	*				-155	67	122.9	-106	-66.6	0	0	0	111.1
975	Q	29.7	Very low	36.3	Very low	165 Å²	165	157.2 Å²	157.2	77%	0.771	77%	0.768	S	S	*	*			trans	-112	152.5	145.8	-92.7	-91.1	-11.1	0	0	105.5
976	P	38.5	Very low	36	Very low	92 Å²	92	159.1 Å²	159.1	60%	0.597	77%	0.77	S	S	*	*			cis	-124.3	170.9	3.5	41.4	-29.2	0	0	0	113.8
977	D	33.1	Very low	35.3	Very low	106 Å²	106	161.1 Å²	161.1	57%	0.567	78%	0.779	S	S	*	*	S	Bend	trans	-157	36.2	132	-143.7	9.9	0	0	0	115.6	K980	D977-K980 WeakPolarHBondContact OD1-CB 3.39Å; D977-K980 WeakPolarHBondContact OD2-CD 3.43Å; D977-K980 IonicContact OD2-NZ 3.35Å
978	L	33.1	Very low	34.7	Very low	127 Å²	127	162 Å²	162	67%	0.665	78%	0.784	S	S	*	*	S	Bend	trans	-101	10.1	167.1	-152.2	70.2	0	0	0	113.7	K980 L981	L978-K980 VanDerWaalsContact C-N 3.33Å; L978-L981 HydrophobicContact CD1-CB 4.35Å; L978-L981 HydrophobicContact CD1-CD1 4.35Å
979	V	32.8	Very low	34.1	Very low	102 Å²	102	164.3 Å²	164.3	62%	0.618	79%	0.787	S	S	*	*	S	Bend	trans	-79.5	-23.3	166.7	179.2	0	0	0	0	110.7	L981 L982	V979-L981 VanDerWaalsContact C-N 3.27Å; V979-L981 PolarHBondContact O-N 2.78Å; V979-L982 PolarHBondContact O-N 2.93Å
980	K	39.4	Very low	33.4	Very low	147 Å²	147	161.3 Å²	161.3	64%	0.639	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-16.6	-179.7	-161.5	171.6	-175	178.3	0	114.8	D977 L978	D977-K980 WeakPolarHBondContact OD1-CB 3.39Å; D977-K980 WeakPolarHBondContact OD2-CD 3.43Å; D977-K980 IonicContact OD2-NZ 3.35Å; L978-K980 VanDerWaalsContact C-N 3.33Å
981	L	38	Very low	32.8	Very low	133 Å²	133	162.2 Å²	162.2	70%	0.696	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-5.1	-178.2	-129.6	153.4	0	0	0	113.4	L978 V979	L978-L981 HydrophobicContact CD1-CB 4.35Å; L978-L981 HydrophobicContact CD1-CD1 4.35Å; V979-L981 VanDerWaalsContact C-N 3.27Å; V979-L981 PolarHBondContact O-N 2.78Å
982	L	36	Very low	32.5	Very low	149 Å²	149	159.2 Å²	159.2	78%	0.78	77%	0.774	S	S	*	*	S	Bend	trans	-108.6	-1.4	179.9	-93.9	166.1	0	0	0	114.8	V979	V979-L982 PolarHBondContact O-N 2.93Å
983	V	35.5	Very low	32.2	Very low	117 Å²	117	152.4 Å²	152.4	71%	0.709	76%	0.762	S	S	*	*	S	Bend	trans	-95	-26.6	172.1	179.8	0	0	0	0	111.8	K985	V983-K985 VanDerWaalsContact C-N 3.28Å; V983-K985 PolarHBondContact O-N 2.83Å
984	E	41.5	Very low	32.2	Very low	177 Å²	177	155.4 Å²	155.4	83%	0.827	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	9.3	-169.4	-151.7	163.9	-130.3	0	0	115
985	K	37.8	Very low	32.2	Very low	204 Å²	204	151.4 Å²	151.4	89%	0.887	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	34.9	176.4	-144.8	173.2	-173.7	175.4	0	115.8	V983	V983-K985 VanDerWaalsContact C-N 3.28Å; V983-K985 PolarHBondContact O-N 2.83Å
986	R	30.2	Very low	32	Very low	228 Å²	228	148.3 Å²	148.3	86%	0.86	76%	0.757	S	S	*	*	S	Bend	trans	-136.8	37.3	173.7	-145.9	-171.7	-166.4	161.4	7.7	117.6
987	Q	29.9	Very low	31.5	Very low	182 Å²	182	149.4 Å²	149.4	85%	0.85	77%	0.767	S	S	*	*			trans	-150.1	87	147	-80.5	-148.1	-4.7	0	0	111.7
988	F	28	Very low	31.2	Very low	220 Å²	220	148.4 Å²	148.4	97%	0.965	77%	0.774	S	S	*	*			trans	-148.7	57.6	161	-120.7	-71.1	0	0	0	111.6
989	K	27.4	Very low	31	Very low	205 Å²	205	147 Å²	147	89%	0.891	78%	0.775	S	S	*	*			trans	-156.2	59.8	168.9	-148.4	179	-174.1	-174.6	0	114.3
990	S	25.9	Very low	30.7	Very low	95 Å²	95	148.2 Å²	148.2	66%	0.664	78%	0.778	S	S	*	*			trans	-165	54.3	162.8	54.9	0	0	0	0	115.2
991	F	26.6	Very low	30.2	Very low	206 Å²	206	149.5 Å²	149.5	90%	0.904	78%	0.783	S	S	*	*				-106.7	110.6	128.3	-84.1	-99.2	0	0	0	103.3
992	L	30.2	Very low	29.5	Very low	149 Å²	149	149.6 Å²	149.6	78%	0.78	78%	0.784	S	S	*	*				42.7	117.3	89.7	-80.5	81.5	0	0	0	111.1
993	G	25	Very low	29.2	Very low	64 Å²	64	148.9 Å²	148.9	66%	0.66	78%	0.78	S	S	*	*			cis	101.7	110.1	28	0	0	0	0	0	107.2
994	D	28.6	Very low	28.7	Very low	148 Å²	148	151.2 Å²	151.2	79%	0.791	78%	0.783	S	S	*	*			trans	-82.4	-173.9	-150.7	-54.7	-89.8	0	0	0	115.3
995	L	28.2	Very low	28.1	Very low	164 Å²	164	149.7 Å²	149.7	86%	0.859	78%	0.776	S	S	*	*			trans	88.6	144.7	159.7	-50.5	-174.2	0	0	0	117.4
996	S	26.3	Very low	27.7	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	76%	0.763	S	S	*	*			cis	-171.3	178.9	-22	-168.9	0	0	0	0	110.1
997	S	27.2	Very low	27.5	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	76%	0.762	S	S	*	*			trans	70.1	160	160.5	-86.6	0	0	0	0	117.5
998	A	27.3	Very low	27.4	Very low	86 Å²	86	138.3 Å²	138.3	71%	0.711	75%	0.751	S	S	*	*			cis	-162.5	171.4	0.3	0	0	0	0	0	108.4
999	S	28.7	Very low	27.3	Very low	97 Å²	97	134 Å²	134	68%	0.678	74%	0.742	S	S	*	*			cis	-169.7	-151.3	-15.2	52.9	0	0	0	0	108.3
1000	D	27.9	Very low	27.4	Very low	127 Å²	127	130.3 Å²	130.3	68%	0.679	74%	0.737	S	S	*	*			trans	83.3	124.7	158.2	-79.7	40.5	0	0	0	118.1
1001	K	28.5	Very low	28.2	Very low	174 Å²	174	131.2 Å²	131.2	76%	0.757	74%	0.74	S	S	*	*			cis	-140	177.9	7.9	-54.4	-171.8	176.2	-172.7	0	110.1
1002	L	23.4	Very low	28.2	Very low	136 Å²	136	125.4 Å²	125.4	71%	0.712	73%	0.731	S	S	*	*			cis	-163.9	145.4	16.3	-168.5	85.1	0	0	0	111.2
1003	L	28.3	Very low	28	Very low	133 Å²	133	123.9 Å²	123.9	70%	0.696	73%	0.727	S	S	*	*			trans	60	154.5	158.9	-106.2	65.1	0	0	0	119.2
1004	E	26.1	Very low	28	Very low	166 Å²	166	129.7 Å²	129.7	78%	0.776	74%	0.735	S	S	*	*			cis	-148.8	-173.4	2.5	-159.4	151.5	-142.2	0	0	112.3
1005	E	29	Very low	27.8	Very low	146 Å²	146	127.4 Å²	127.4	68%	0.682	73%	0.73	S	S	*	*			trans	-71.1	178.2	-169.7	-54.6	-170.9	81.3	0	0	116.9
1006	K	28.6	Very low	27.7	Very low	142 Å²	142	127.9 Å²	127.9	62%	0.617	73%	0.727	S	S	*	*			cis	-167.4	141.7	19.2	-145.3	171.6	-172.5	87.3	0	113.5
1007	L	27.3	Very low	27.7	Very low	158 Å²	158	131 Å²	131	83%	0.827	73%	0.731	S	S	*	*			trans	45.4	154	151.5	-62.1	166.9	0	0	0	122.6
1008	A	27.2	Very low	27.7	Very low	75 Å²	75	132.9 Å²	132.9	62%	0.62	73%	0.727	S	S	*	*			cis	-172.7	165.7	-20.2	0	0	0	0	0	112.4
1009	T	24.7	Very low	27.6	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	72%	0.722	S	S	*	*			trans	80.7	128.2	160.5	-52	0	0	0	0	118.8
1010	V	30.4	Very low	27.4	Very low	128 Å²	128	136.7 Å²	136.7	78%	0.776	73%	0.731	S	S	*	*			cis	95.4	135.6	2.9	-173.6	0	0	0	0	116.3
1011	P	43.7	Very low	27.4	Very low	114 Å²	114	136.2 Å²	136.2	74%	0.74	73%	0.732	S	S	*	*			cis	-141.1	-170.1	-16.1	41.1	-21.2	0	0	0	118
1012	A	26.1	Very low	27.9	Very low	85 Å²	85	133.9 Å²	133.9	70%	0.702	74%	0.735	S	S	*	*			trans	82.8	152.5	145.2	0	0	0	0	0	120.3
1013	T	25	Very low	28.1	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	74%	0.741	S	S	*	*			cis	-168.3	161.6	-8.8	14.5	0	0	0	0	114.8
1014	F	24.8	Very low	27.9	Very low	187 Å²	187	136.1 Å²	136.1	82%	0.82	75%	0.749	S	S	*	*			trans	74.4	148.1	147.3	-77.3	-59.1	0	0	0	126.1
1015	C	24.9	Very low	28	Very low	100 Å²	100	139.2 Å²	139.2	68%	0.676	75%	0.754	S	S	*	*			trans	61.4	149.1	157.4	-67.3	0	0	0	0	120.7
1016	E	26.6	Very low	27.8	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	76%	0.76	S	S	*	*			cis	67.9	135.1	44.4	-79	174.4	-176	0	0	113.2
1017	E	26.3	Very low	27.6	Very low	164 Å²	164	138 Å²	138	77%	0.766	76%	0.761	S	S	*	*			cis	-155.7	-176.3	-7	-150.2	-175.2	176.3	0	0	109.6
1018	E	27.1	Very low	27.6	Very low	155 Å²	155	136.6 Å²	136.6	72%	0.724	76%	0.759	S	S	*	*			trans	58.9	124.8	148.1	-72.8	-122	117.7	0	0	124.5
1019	V	25.6	Very low	27.5	Very low	101 Å²	101	139.5 Å²	139.5	61%	0.612	76%	0.764	S	S	*	*				75.4	118	120.9	176.4	0	0	0	0	123.8
1020	L	24.7	Very low	27.6	Very low	163 Å²	163	137.2 Å²	137.2	85%	0.853	75%	0.754	S	S	*	*			trans	75.3	153.6	146.4	-76.7	170.2	0	0	0	124.7
1021	T	27.2	Very low	27.4	Very low	117 Å²	117	139.1 Å²	139.1	72%	0.718	75%	0.754	S	S	*	*			trans	-93	165	175.3	58.5	0	0	0	0	111
1022	P	39.6	Very low	26.7	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	76%	0.758	S	S	*	*				-152.8	-177.8	91.3	39.7	-20.1	0	0	0	117.1
1023	F	25.8	Very low	26.7	Very low	194 Å²	194	141.9 Å²	141.9	85%	0.851	76%	0.757	S	S	*	*			trans	-64.9	155.5	178.8	-68.5	-111.2	0	0	0	115.5
1024	S	25.5	Very low	26.9	Very low	123 Å²	123	147.9 Å²	147.9	86%	0.86	77%	0.767	S	S	*	*				-173.7	168.2	109.4	-83.5	0	0	0	0	114.7
1025	R	27.6	Very low	26.8	Very low	231 Å²	231	144 Å²	144	87%	0.872	76%	0.763	S	S	*	*			trans	-99.8	173.3	-179	-59.8	174	176.4	165.5	-3	111.9
1026	L	25	Very low	26.8	Very low	157 Å²	157	143 Å²	143	82%	0.822	76%	0.762	S	S	*	*			trans	136.3	134.3	141.4	-72.7	165.3	0	0	0	109.4
1027	T	24.8	Very low	26.8	Very low	104 Å²	104	143.2 Å²	143.2	64%	0.638	76%	0.763	S	S	*	*			cis	158.8	143.5	-21.9	28.5	0	0	0	0	105.8
1028	V	27.9	Very low	26.9	Very low	129 Å²	129	140 Å²	140	78%	0.782	75%	0.751	S	S	*	*			trans	73.3	139.4	148.9	164.6	0	0	0	0	115.1
1029	D	24.2	Very low	27	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	75%	0.75	S	S	*	*			cis	-151.4	-179.7	15.1	-146.2	-13.4	0	0	0	115.5
1030	S	26.1	Very low	26.9	Very low	81 Å²	81	139.8 Å²	139.8	57%	0.566	75%	0.752	S	S	*	*			trans	92.7	109.4	139.8	76.4	0	0	0	0	120.6
1031	H	27.3	Very low	26.9	Very low	168 Å²	168	138 Å²	138	78%	0.778	74%	0.743	S	S	*	*				154.1	146.6	103.1	-94.4	-64.3	0	0	0	114
1032	L	27.6	Very low	27.2	Very low	158 Å²	158	137.6 Å²	137.6	83%	0.827	75%	0.745	S	S	*	*			trans	63.2	136.8	165.7	-59.6	161.8	0	0	0	117.2
1033	S	26.5	Very low	26.9	Very low	98 Å²	98	136.4 Å²	136.4	69%	0.685	74%	0.737	S	S	*	*			cis	157	146.4	-28	51.8	0	0	0	0	107.9
1034	R	28.8	Very low	26.9	Very low	242 Å²	242	134 Å²	134	91%	0.913	73%	0.732	S	S	*	*			trans	90.9	127.5	162.1	-153.9	177.3	-159.6	158.7	6.4	117.9
1035	S	24.2	Very low	26.8	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	73%	0.728	S	S	*	*			trans	26.3	119.5	165.2	-93.7	0	0	0	0	119.2
1036	A	23.8	Very low	26.6	Very low	78 Å²	78	129.4 Å²	129.4	65%	0.645	72%	0.722	S	S	*	*			cis	64.2	132.9	30.3	0	0	0	0	0	115.5
1037	E	26.9	Very low	26.6	Very low	178 Å²	178	130.2 Å²	130.2	83%	0.832	72%	0.721	S	S	*	*			trans	68.8	138.1	168.5	-60.1	166	-163.1	0	0	115.4
1038	D	28.7	Very low	26.7	Very low	95 Å²	95	130.1 Å²	130.1	51%	0.508	73%	0.725	S	S	.	*			cis	-158.2	163.5	-8.8	-121.7	-47.5	0	0	0	108.9	F1040	D1038-F1040 HydrophobicContact CB-CD1 3.85Å; D1038-F1040 HydrophobicContact CB-CE1 3.54Å; D1038-F1040 HydrophobicContact CB-CZ 4.1Å; D1038-F1040 VanDerWaalsContact OD1-CD1 3.32Å; D1038-F1040 WeakPolarHBondContact OD1-CD1 3.09Å; D1038-F1040 WeakPolarHBondContact OD2-CE1 3.19Å
1039	S	28.2	Very low	26.7	Very low	101 Å²	101	134.7 Å²	134.7	71%	0.706	73%	0.728	S	S	*	*	S	Bend		171.5	153.6	73.9	36.1	0	0	0	0	110.6
1040	F	24.5	Very low	26.7	Very low	151 Å²	151	138.3 Å²	138.3	66%	0.662	74%	0.737	S	S	*	*			cis	-152.6	128.6	-15.4	-95.5	-38.9	0	0	0	111.4	D1038	D1038-F1040 HydrophobicContact CB-CD1 3.85Å; D1038-F1040 HydrophobicContact CB-CE1 3.54Å; D1038-F1040 HydrophobicContact CB-CZ 4.1Å; D1038-F1040 VanDerWaalsContact OD1-CD1 3.32Å; D1038-F1040 WeakPolarHBondContact OD1-CD1 3.09Å; D1038-F1040 WeakPolarHBondContact OD2-CE1 3.19Å
1041	L	24.6	Very low	26.9	Very low	125 Å²	125	139.3 Å²	139.3	65%	0.654	74%	0.744	S	S	*	*				64.3	123	129.8	-58.4	172.6	0	0	0	123.1
1042	S	34.1	Very low	27	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	74%	0.744	S	S	*	*				-81.1	147.1	120	-56	0	0	0	0	109.4
1043	P	33.3	Very low	27.6	Very low	98 Å²	98	138.5 Å²	138.5	64%	0.636	74%	0.737	S	S	*	*				-134.2	131.5	114.4	7.6	16	0	0	0	111.8
1044	I	25	Very low	28	Very low	144 Å²	144	140.1 Å²	140.1	74%	0.738	75%	0.745	S	S	*	*				83.9	107	80.6	-70	168.8	0	0	0	113.9
1045	I	24.7	Very low	28.1	Very low	151 Å²	151	137.4 Å²	137.4	77%	0.774	74%	0.735	S	S	*	*			trans	78	115.6	146.8	-67.8	173.6	0	0	0	121.3
1046	S	23.6	Very low	28.8	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	74%	0.738	S	S	*	*			trans	88.5	145.8	140.8	-81.1	0	0	0	0	125.6
1047	Q	23.9	Very low	29	Very low	174 Å²	174	141 Å²	141	81%	0.813	75%	0.746	S	S	*	*			trans	71.9	85.8	151.6	-71.6	-178.9	16.4	0	0	123.2
1048	S	26.4	Very low	29.1	Very low	102 Å²	102	137 Å²	137	71%	0.713	74%	0.737	S	S	*	*				75.2	157.1	119.2	87.5	0	0	0	0	123.2
1049	R	28	Very low	29	Very low	226 Å²	226	144.2 Å²	144.2	85%	0.853	76%	0.758	S	S	*	*			trans	55.3	103.3	156.9	-65.8	-176	175.5	-150.9	-0.4	119.8
1050	K	25.8	Very low	28.9	Very low	211 Å²	211	144.2 Å²	144.2	92%	0.917	75%	0.754	S	S	*	*				176.3	175.2	107	-97.1	166.1	-177.6	175.8	0	113.3
1051	S	28.8	Very low	29	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	76%	0.763	S	S	*	*			trans	-141.4	173.3	-166.5	56.8	0	0	0	0	113.4
1052	K	30.5	Very low	29.1	Very low	178 Å²	178	144.2 Å²	144.2	77%	0.774	77%	0.765	S	S	*	*			trans	93.8	108.4	162.1	-61.4	-178.1	177.7	177.6	0	120.4
1053	I	38.8	Very low	28.7	Very low	132 Å²	132	145 Å²	145	68%	0.677	76%	0.761	S	S	*	*				56	129	114.4	-58.8	160.2	0	0	0	119.9	R1055	I1053-R1055 HydrophobicContact CG2-CG 4.11Å
1054	P	35.1	Very low	28.4	Very low	131 Å²	131	147.6 Å²	147.6	85%	0.851	76%	0.764	S	S	*	*			trans	-95.8	142.8	141.6	35	-28.7	0	0	0	112.3
1055	R	31.7	Very low	28.5	Very low	186 Å²	186	146.1 Å²	146.1	70%	0.702	76%	0.762	S	S	*	*			trans	-98.8	159.1	-174.8	-56.2	-172.3	-163.8	-173.4	7.4	113.5	I1053	I1053-R1055 HydrophobicContact CG2-CG 4.11Å
1056	P	38.5	Very low	28.5	Very low	125 Å²	125	145.7 Å²	145.7	81%	0.812	76%	0.761	S	S	*	*			trans	-78	175.6	161.6	35.2	-36.4	0	0	0	112.5
1057	V	28.9	Very low	28.6	Very low	135 Å²	135	145.4 Å²	145.4	82%	0.818	76%	0.759	S	S	*	*			trans	-116	151.2	179.1	179	0	0	0	0	110.4
1058	S	28.6	Very low	28.8	Very low	93 Å²	93	142.1 Å²	142.1	65%	0.65	76%	0.755	S	S	*	*			trans	-93.3	176.6	-174.1	55.7	0	0	0	0	114.2
1059	W	26.4	Very low	28.9	Very low	247 Å²	247	143.9 Å²	143.9	94%	0.936	76%	0.762	S	S	*	*				-156.5	178	121	-114.4	72.6	0	0	0	108.9
1060	V	26.8	Very low	28.9	Very low	102 Å²	102	137.7 Å²	137.7	62%	0.618	75%	0.753	S	S	*	*			trans	-127.2	147	-157.8	172.5	0	0	0	0	112.3
1061	N	25.6	Very low	29	Very low	162 Å²	162	131.9 Å²	131.9	87%	0.866	74%	0.739	S	S	*	*			trans	-166.9	151.3	132.2	-102.9	-7.3	0	0	0	114.8
1062	T	26.1	Very low	29.1	Very low	113 Å²	113	134.3 Å²	134.3	69%	0.693	74%	0.739	S	S	*	*			trans	-86.5	160.7	179.8	-26.8	0	0	0	0	111.3
1063	D	26.7	Very low	29	Very low	127 Å²	127	134 Å²	134	68%	0.679	74%	0.738	S	S	*	*				-176	146.3	110.8	-108	9.1	0	0	0	117.1
1064	Q	26.7	Very low	29.2	Very low	152 Å²	152	136.9 Å²	136.9	71%	0.71	75%	0.746	S	S	*	*			trans	70.5	109.3	140.7	-71.8	-178.2	62.7	0	0	124.4
1065	V	26.4	Very low	29.3	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.685	74%	0.743	S	S	*	*				77.9	113.2	112.3	172.1	0	0	0	0	121.4
1066	N	25	Very low	29.6	Very low	143 Å²	143	138.7 Å²	138.7	77%	0.765	75%	0.752	S	S	*	*			trans	68	147.3	139.9	-66.7	1.4	0	0	0	125.1
1067	S	26.6	Very low	30	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	75%	0.751	S	S	*	*			trans	71.8	101.1	139.9	54.7	0	0	0	0	121.4
1068	S	27.1	Very low	30.9	Very low	105 Å²	105	138 Å²	138	73%	0.734	75%	0.751	S	S	*	*				58.4	143.5	105.8	-48.5	0	0	0	0	122.7
1069	T	28.1	Very low	32	Very low	139 Å²	139	139.9 Å²	139.9	85%	0.853	76%	0.76	S	S	*	*			trans	93.8	146.2	151	75.7	0	0	0	0	120.7
1070	S	27.9	Very low	32.3	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	75%	0.752	S	S	*	*			trans	77.3	119.1	151.6	-166.5	0	0	0	0	120.8
1071	S	28.6	Very low	32.9	Very low	89 Å²	89	136.7 Å²	136.7	62%	0.622	77%	0.766	S	S	*	*				-4.1	154.8	126.4	77.4	0	0	0	0	118.2
1072	Q	31.2	Very low	33.8	Very low	153 Å²	153	134.3 Å²	134.3	72%	0.715	76%	0.759	S	S	*	*				-170.2	167.3	62	-133.7	168.9	24.8	0	0	115.2
1073	F	28.9	Very low	35	Very low	172 Å²	172	135 Å²	135	75%	0.754	77%	0.766	S	S	*	*			trans	60.1	109.6	158.1	-73	-63.9	0	0	0	122.5
1074	F	41.8	Very low	35.3	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.842	78%	0.776	S	S	*	*			trans	-71.4	159.7	135.9	-88.5	-86	0	0	0	110.7
1075	P	38.7	Very low	35.7	Very low	122 Å²	122	140 Å²	140	79%	0.792	79%	0.785	S	S	*	*				-136.1	165	106.2	37.9	-28.9	0	0	0	114.9
1076	R	36.3	Very low	36.5	Very low	233 Å²	233	140.5 Å²	140.5	88%	0.879	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.4	154.8	176.8	-61.3	-179	-178.5	-167.2	0.5	112.2
1077	P	46.8	Very low	36.9	Very low	123 Å²	123	137 Å²	137	80%	0.799	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-74.9	146.6	169.6	31.2	-34.8	0	0	0	112.9
1078	P	49.5	Very low	37.3	Very low	124 Å²	124	138.7 Å²	138.7	81%	0.805	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-93.6	168.1	-179.5	36.8	-36.2	0	0	0	114.8
1079	P	50.4	Low	37.8	Very low	131 Å²	131	142.4 Å²	142.4	85%	0.851	80%	0.8	S	S	*	*			trans	-110	163.2	-168.3	40.4	-35.1	0	0	0	117.5
1080	G	32.8	Very low	37.9	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	80%	0.803	S	S	*	*			trans	97.9	163.8	167.8	0	0	0	0	0	115.3
1081	K	39.2	Very low	38.1	Very low	208 Å²	208	147.8 Å²	147.8	90%	0.904	81%	0.813	S	S	*	*			cis	-156.8	168.3	-12.2	-112.7	-179.1	-178.2	176.4	0	108.2
1082	P	46	Very low	38.3	Very low	112 Å²	112	150.9 Å²	150.9	73%	0.727	82%	0.822	S	S	*	*			trans	-85.6	159	-163.8	34.1	-37.5	0	0	0	116.1
1083	P	49.8	Very low	38.4	Very low	129 Å²	129	153 Å²	153	84%	0.838	82%	0.824	S	S	*	*			trans	-88.6	155.2	179.6	35.4	-35.7	0	0	0	114.9
1084	T	33.5	Very low	38.5	Very low	144 Å²	144	156.7 Å²	156.7	88%	0.883	83%	0.833	S	S	*	*			trans	-113.8	170.8	-175.8	35.4	0	0	0	0	114.6
1085	R	36.1	Very low	38	Very low	239 Å²	239	157.1 Å²	157.1	90%	0.902	83%	0.83	S	S	*	*			trans	-71.2	163.5	-177.1	-65.6	180	176.6	169	-1.7	114.9
1086	P	42.3	Very low	37.7	Very low	123 Å²	123	159.9 Å²	159.9	80%	0.799	83%	0.83	S	S	*	*			trans	-105.6	159.5	133.5	-4.3	24.3	0	0	0	113.3
1087	G	32.5	Very low	37.4	Very low	70 Å²	70	154.5 Å²	154.5	72%	0.722	82%	0.822	S	S	*	*			trans	-110.6	-168.6	164.8	0	0	0	0	0	111.2
1088	V	36.1	Very low	36.8	Very low	134 Å²	134	155 Å²	155	81%	0.812	82%	0.818	S	S	*	*			cis	-161.1	170.5	-6.8	113.7	0	0	0	0	108.1
1089	E	36.5	Very low	36.1	Very low	184 Å²	184	153 Å²	153	86%	0.86	82%	0.819	S	S	*	*			trans	66.5	110.2	168.6	-93.6	179.8	-147.7	0	0	120.8
1090	A	30.9	Very low	35.9	Very low	111 Å²	111	151.8 Å²	151.8	92%	0.917	81%	0.813	S	S	*	*			trans	-154.4	144.8	131.8	0	0	0	0	0	110
1091	R	32.4	Very low	36.3	Very low	236 Å²	236	151.5 Å²	151.5	89%	0.891	80%	0.8	S	S	*	*			trans	-122.6	109.4	-165	174.9	-167.9	-168.4	175.5	4.8	111.1
1092	L	32.7	Very low	36.8	Very low	155 Å²	155	149 Å²	149	81%	0.812	80%	0.797	S	S	*	*			trans	-160.1	124.8	147.3	-133.4	72.4	0	0	0	116.6
1093	R	33.1	Very low	37.3	Very low	198 Å²	198	144.2 Å²	144.2	75%	0.747	77%	0.766	S	S	*	*			trans	0.3	118.5	155.7	-62.2	172.8	176	143.1	-0.7	119.2
1094	R	31.1	Very low	37.5	Very low	249 Å²	249	143.3 Å²	143.3	94%	0.94	75%	0.754	S	S	*	*			trans	-67	126.2	145	-72.9	-176.8	-80.8	-162.4	-4.8	109.1	K1096	R1094-K1096 PolarHBondContact O-N 2.72Å
1095	Y	30.4	Very low	38.7	Very low	201 Å²	201	139.1 Å²	139.1	79%	0.788	73%	0.731	S	S	*	*			trans	-78.9	102.8	169.6	-93.8	-74.7	0	0	0	110.6	V1097	Y1095-V1097 PolarHBondContact O-N 3.14Å
1096	K	33.3	Very low	39.6	Very low	180 Å²	180	130.5 Å²	130.5	78%	0.783	70%	0.702	S	S	*	*			trans	-78.8	104.5	168.9	-174.2	180	-176.5	-178.6	0	108.2	R1094 L1098	R1094-K1096 PolarHBondContact O-N 2.72Å; K1096-L1098 PolarHBondContact O-N 3.34Å
1097	V	29.2	Very low	40.5	Very low	120 Å²	120	129.8 Å²	129.8	73%	0.727	69%	0.691	S	S	*	*			trans	-76.8	104.6	174.3	-179.9	0	0	0	0	108.6	Y1095	Y1095-V1097 PolarHBondContact O-N 3.14Å
1098	L	34	Very low	41.7	Very low	134 Å²	134	133.6 Å²	133.6	70%	0.702	69%	0.688	S	S	*	*			trans	-76.2	124.2	165.9	-76.3	162.5	0	0	0	108.8	K1096 S1100	K1096-L1098 PolarHBondContact O-N 3.34Å; L1098-S1100 VanDerWaalsContact C-N 3.33Å; L1098-S1100 PolarHBondContact O-N 2.88Å
1099	G	36.7	Very low	42.9	Very low	80 Å²	80	131 Å²	131	83%	0.825	68%	0.676	S	S	*	*			trans	-76	81.1	174.4	0	0	0	0	0	111.2
1100	S	45.7	Very low	43.8	Very low	106 Å²	106	129.9 Å²	129.9	74%	0.741	66%	0.664	S	S	*	*			trans	-152.1	76.1	177.3	-57.8	0	0	0	0	111.1	L1098	L1098-S1100 VanDerWaalsContact C-N 3.33Å; L1098-S1100 PolarHBondContact O-N 2.88Å
1101	S	40.7	Very low	45.2	Very low	69 Å²	69	128.6 Å²	128.6	48%	0.483	64%	0.641	S	S	.	*			trans	-153.3	110.1	166	-167.1	0	0	0	0	108.7	S1103 D1106	S1101-S1103 PolarHBondContact O-N 2.95Å; S1101-D1106 PolarHBondContact OG-OD2 2.97Å
1102	N	50.6	Low	46.5	Very low	156 Å²	156	119.4 Å²	119.4	83%	0.834	62%	0.615	S	S	*	*			trans	-88.1	79.7	-177.9	-67	2.7	0	0	0	109.4
1103	S	56.5	Low	47.4	Very low	11 Å²	11	118.2 Å²	118.2	8%	0.077	61%	0.606	C	S	.	*			trans	-167.3	123.1	177	55.9	0	0	0	0	113.1	S1101 S1105 D1106 R1244	S1101-S1103 PolarHBondContact O-N 2.95Å; S1103-S1105 PolarHBondContact O-N 2.8Å; S1103-D1106 PolarHBondContact O-N 3.06Å; S1103-D1106 PolarHBondContact OG-OD2 3.08Å; S1103-R1244 PolarHBondContact OG-NH1 2.95Å; S1103-R1244 VanDerWaalsContact OG-NH1 3.12Å; S1103-R1244 PolarHBondContact OG-NH2 3.09Å
1104	D	53.9	Low	48.6	Very low	109 Å²	109	114.7 Å²	114.7	58%	0.583	60%	0.6	S	S	*	*	H	α-helix	trans	-66	-21	-178	-67.8	-25.5	0	0	0	113.8	D1106 L1107 F1108	D1104-D1106 VanDerWaalsContact C-N 3.25Å; D1104-D1106 PolarHBondContact O-N 3.44Å; D1104-L1107 PolarHBondContact O-N 2.82Å; D1104-F1108 PolarHBondContact O-N 3.14Å
1105	S	58.6	Low	49.5	Very low	57 Å²	57	109 Å²	109	40%	0.399	59%	0.588	S	S	.	*	H	α-helix	trans	-53.1	-43.6	174.9	57.1	0	0	0	0	112.5	S1103 L1107 S1109	S1103-S1105 PolarHBondContact O-N 2.8Å; S1105-L1107 VanDerWaalsContact C-N 3.35Å; S1105-S1109 WeakPolarHBondContact O-CB 3.22Å; S1105-S1109 PolarHBondContact O-N 3.27Å; S1105-S1109 PolarHBondContact O-OG 2.99Å
1106	D	54.9	Low	50.2	Low	58 Å²	58	107 Å²	107	31%	0.31	59%	0.586	S	S	.	*	H	α-helix	trans	-80.6	-24.6	-170.4	-56.7	0.7	0	0	0	110.8	S1101 S1103 D1104 R1110 R1244	S1101-D1106 PolarHBondContact OG-OD2 2.97Å; S1103-D1106 PolarHBondContact O-N 3.06Å; S1103-D1106 PolarHBondContact OG-OD2 3.08Å; D1104-D1106 VanDerWaalsContact C-N 3.25Å; D1104-D1106 PolarHBondContact O-N 3.44Å; D1106-R1110 WeakPolarHBondContact O-CD 3.29Å; D1106-R1110 VanDerWaalsContact O-CG 3.32Å; D1106-R1110 WeakPolarHBondContact O-CG 3.22Å; D1106-R1110 PolarHBondContact O-N 3.47Å; D1106-R1244 IonicContact OD1-NH2 2.89Å; D1106-R1244 PolarHBondContact OD1-NH2 2.86Å; D1106-R1244 IonicContact OD2-CZ 3.85Å; D1106-R1244 IonicContact OD2-NH2 2.86Å; D1106-R1244 PolarHBondContact OD2-NH2 3.01Å
1107	L	61.6	Low	50.8	Low	108 Å²	108	105.4 Å²	105.4	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-75	-47.8	172.2	-175	65	0	0	0	110.8	D1104 S1105 S1109 R1110 L1111	D1104-L1107 PolarHBondContact O-N 2.82Å; S1105-L1107 VanDerWaalsContact C-N 3.35Å; L1107-S1109 PolarHBondContact O-N 3.44Å; L1107-R1110 PolarHBondContact O-N 3.31Å; L1107-L1111 HydrophobicContact CG-CD1 4.35Å; L1107-L1111 PolarHBondContact O-N 3.08Å
1108	F	57.4	Low	51.5	Low	149 Å²	149	102.5 Å²	102.5	65%	0.654	58%	0.58	S	S	*	*	H	α-helix	trans	-62.5	-40.2	176.4	-94.3	-81.3	0	0	0	112.7	D1104 R1110 L1111 A1112	D1104-F1108 PolarHBondContact O-N 3.14Å; F1108-R1110 VanDerWaalsContact C-N 3.33Å; F1108-R1110 PolarHBondContact O-N 2.97Å; F1108-L1111 PolarHBondContact O-N 3.16Å; F1108-A1112 WeakPolarHBondContact O-CB 3.39Å; F1108-A1112 PolarHBondContact O-N 2.91Å
1109	S	59.8	Low	51.6	Low	80 Å²	80	100.8 Å²	100.8	56%	0.559	58%	0.579	S	S	*	*	H	α-helix	trans	-61.5	-38.8	175.3	-63.9	0	0	0	0	112.7	S1105 L1107 Q1113	S1105-S1109 WeakPolarHBondContact O-CB 3.22Å; S1105-S1109 PolarHBondContact O-N 3.27Å; S1105-S1109 PolarHBondContact O-OG 2.99Å; L1107-S1109 PolarHBondContact O-N 3.44Å; S1109-Q1113 WeakPolarHBondContact O-CB 3.23Å; S1109-Q1113 PolarHBondContact O-N 3.45Å
1110	R	56.6	Low	51.4	Low	160 Å²	160	105.6 Å²	105.6	60%	0.604	58%	0.581	S	S	*	*	H	α-helix	trans	-73.2	-37.9	177.4	-71.3	173.4	-175.3	-96.3	0.2	112.5	D1106 L1107 F1108 Q1113 I1114	D1106-R1110 WeakPolarHBondContact O-CD 3.29Å; D1106-R1110 VanDerWaalsContact O-CG 3.32Å; D1106-R1110 WeakPolarHBondContact O-CG 3.22Å; D1106-R1110 PolarHBondContact O-N 3.47Å; L1107-R1110 PolarHBondContact O-N 3.31Å; F1108-R1110 VanDerWaalsContact C-N 3.33Å; F1108-R1110 PolarHBondContact O-N 2.97Å; R1110-Q1113 PolarHBondContact O-N 3.12Å; R1110-I1114 WeakPolarHBondContact O-CG1 3.32Å; R1110-I1114 PolarHBondContact O-N 3.17Å; R1110-I1114 VanDerWaalsContact O-N 3.1Å
1111	L	60.8	Low	51.2	Low	85 Å²	85	109.8 Å²	109.8	45%	0.445	59%	0.585	S	S	.	*	H	α-helix	trans	-63.2	-43.7	171.9	-86.4	164.2	0	0	0	111.9	L1107 F1108 Q1113 I1114 L1115	L1107-L1111 HydrophobicContact CG-CD1 4.35Å; L1107-L1111 PolarHBondContact O-N 3.08Å; F1108-L1111 PolarHBondContact O-N 3.16Å; L1111-Q1113 VanDerWaalsContact C-N 3.33Å; L1111-Q1113 PolarHBondContact O-N 3.32Å; L1111-I1114 PolarHBondContact O-N 3.35Å; L1111-L1115 WeakPolarHBondContact O-CB 3.42Å; L1111-L1115 WeakPolarHBondContact O-CG 3.27Å; L1111-L1115 PolarHBondContact O-N 3.38Å
1112	A	58.4	Low	50.9	Low	42 Å²	42	112.7 Å²	112.7	35%	0.347	60%	0.603	S	S	.	*	H	α-helix	trans	-60.1	-42.5	174.9	0	0	0	0	0	111.9	F1108 I1114 L1115 Q1116	F1108-A1112 WeakPolarHBondContact O-CB 3.39Å; F1108-A1112 PolarHBondContact O-N 2.91Å; A1112-I1114 VanDerWaalsContact C-N 3.31Å; A1112-I1114 PolarHBondContact O-N 2.88Å; A1112-L1115 PolarHBondContact O-N 2.89Å; A1112-Q1116 WeakPolarHBondContact O-CB 3.2Å; A1112-Q1116 VanDerWaalsContact O-CG 3.28Å; A1112-Q1116 WeakPolarHBondContact O-CG 3.41Å; A1112-Q1116 PolarHBondContact O-N 3.47Å
1113	Q	52.5	Low	49.8	Very low	131 Å²	131	116.5 Å²	116.5	61%	0.612	61%	0.605	S	S	*	*	H	α-helix	trans	-68.9	-26.4	179.5	-162.6	168.9	36.4	0	0	113.4	S1109 R1110 L1111 N1117	S1109-Q1113 WeakPolarHBondContact O-CB 3.23Å; S1109-Q1113 PolarHBondContact O-N 3.45Å; R1110-Q1113 PolarHBondContact O-N 3.12Å; L1111-Q1113 VanDerWaalsContact C-N 3.33Å; L1111-Q1113 PolarHBondContact O-N 3.32Å; Q1113-N1117 PolarHBondContact O-ND2 3.05Å
1114	I	58.2	Low	49.1	Very low	123 Å²	123	120.7 Å²	120.7	63%	0.631	64%	0.635	S	S	*	*	H	α-helix	trans	-77.3	-42.2	171.5	-68.9	166.9	0	0	0	110.8	R1110 L1111 A1112	R1110-I1114 WeakPolarHBondContact O-CG1 3.32Å; R1110-I1114 PolarHBondContact O-N 3.17Å; R1110-I1114 VanDerWaalsContact O-N 3.1Å; L1111-I1114 PolarHBondContact O-N 3.35Å; A1112-I1114 VanDerWaalsContact C-N 3.31Å; A1112-I1114 PolarHBondContact O-N 2.88Å
1115	L	49.5	Very low	48	Very low	131 Å²	131	121.9 Å²	121.9	69%	0.686	65%	0.646	S	S	*	*	H	α-helix	trans	-70.1	-31.4	179.5	-72.1	166.2	0	0	0	113.3	L1111 A1112 N1117 G1118	L1111-L1115 WeakPolarHBondContact O-CB 3.42Å; L1111-L1115 WeakPolarHBondContact O-CG 3.27Å; L1111-L1115 PolarHBondContact O-N 3.38Å; A1112-L1115 PolarHBondContact O-N 2.89Å; L1115-N1117 VanDerWaalsContact C-N 3.33Å; L1115-N1117 PolarHBondContact O-N 3.04Å; L1115-G1118 PolarHBondContact O-N 3.45Å
1116	Q	45.5	Very low	46.8	Very low	158 Å²	158	123.7 Å²	123.7	74%	0.738	66%	0.658	S	S	*	*	H	α-helix	trans	-69.5	-26	178.6	-79.1	175.5	-5.8	0	0	113.8	A1112 G1118	A1112-Q1116 WeakPolarHBondContact O-CB 3.2Å; A1112-Q1116 VanDerWaalsContact O-CG 3.28Å; A1112-Q1116 WeakPolarHBondContact O-CG 3.41Å; A1112-Q1116 PolarHBondContact O-N 3.47Å; Q1116-G1118 PolarHBondContact O-N 2.83Å
1117	N	44.9	Very low	45.7	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	10.5	175.1	-71.3	-26	0	0	0	113	Q1113 L1115	Q1113-N1117 PolarHBondContact O-ND2 3.05Å; L1115-N1117 VanDerWaalsContact C-N 3.33Å; L1115-N1117 PolarHBondContact O-N 3.04Å
1118	G	44.4	Very low	44.1	Very low	59 Å²	59	128.7 Å²	128.7	61%	0.608	69%	0.687	S	S	*	*	S	Bend	trans	-102.9	-1.7	-163.4	0	0	0	0	0	118.3	L1115 Q1116	L1115-G1118 PolarHBondContact O-N 3.45Å; Q1116-G1118 PolarHBondContact O-N 2.83Å
1119	S	36	Very low	42.7	Very low	97 Å²	97	131 Å²	131	68%	0.678	70%	0.697	S	S	*	*			trans	-170.1	114.3	169.4	-166.1	0	0	0	0	115.2
1120	Q	33.1	Very low	41.5	Very low	182 Å²	182	132.7 Å²	132.7	85%	0.85	71%	0.708	S	S	*	*			trans	-154	147.9	138.1	-86.6	-42.8	-37	0	0	111.6
1121	K	41.6	Very low	41.2	Very low	194 Å²	194	131.4 Å²	131.4	84%	0.843	72%	0.72	S	S	*	*			trans	-94.6	161.6	167.5	-68.6	175.1	178.5	171.4	0	110
1122	P	33.6	Very low	39.5	Very low	130 Å²	130	131.2 Å²	131.2	84%	0.844	74%	0.74	S	S	*	*			trans	-128.4	152.2	141.8	36.1	-27.1	0	0	0	113.2
1123	R	29.1	Very low	38.2	Very low	236 Å²	236	135.1 Å²	135.1	89%	0.891	76%	0.764	S	S	*	*			trans	-139.8	104.3	167	-172.5	-177.2	-172.8	177.4	4.2	109.3
1124	S	40.9	Very low	38.2	Very low	99 Å²	99	133.3 Å²	133.3	69%	0.692	76%	0.764	S	S	*	*			trans	50.7	132	159	61.9	0	0	0	0	121.2
1125	T	30.3	Very low	36.8	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	77%	0.772	S	S	*	*				-170	123	122.5	24.7	0	0	0	0	115.2
1126	S	33	Very low	36.1	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	78%	0.776	S	S	*	*			trans	55.6	135.9	136.4	66.8	0	0	0	0	126
1127	Q	31.8	Very low	35.5	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	78%	0.778	S	S	*	*			trans	78.4	143.2	145.4	-76.6	-178.9	43.1	0	0	119.5
1128	S	29.3	Very low	34.8	Very low	88 Å²	88	135.1 Å²	135.1	62%	0.615	78%	0.779	S	S	*	*			cis	-160.8	172.1	-2.9	59.5	0	0	0	0	114.8
1129	K	26.9	Very low	34.2	Very low	199 Å²	199	138.7 Å²	138.7	87%	0.865	79%	0.789	S	S	*	*			trans	82	122.2	159.3	-64.7	176.4	-176.6	178.6	0	121
1130	S	35.7	Very low	34.5	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	79%	0.791	S	S	*	*			trans	-97.4	177	154.5	-44.6	0	0	0	0	110
1131	P	49.6	Very low	35.1	Very low	132 Å²	132	136.4 Å²	136.4	86%	0.857	79%	0.788	S	S	*	*				-155.7	175	93	41.1	-22.7	0	0	0	117.3
1132	G	26.2	Very low	34.2	Very low	82 Å²	82	135.9 Å²	135.9	85%	0.845	79%	0.785	S	S	*	*			trans	104.2	130.1	165	0	0	0	0	0	114.3
1133	S	29.4	Very low	34	Very low	124 Å²	124	135.1 Å²	135.1	87%	0.867	78%	0.783	S	S	*	*			cis	-143.2	161.4	13.2	-160	0	0	0	0	111.7
1134	P	52.5	Low	34.8	Very low	92 Å²	92	128.9 Å²	128.9	60%	0.597	77%	0.773	S	S	*	*			trans	-125.3	177.8	-161.1	34.5	-15.7	0	0	0	117.7
1135	H	29.6	Very low	34.3	Very low	173 Å²	173	130 Å²	130	80%	0.801	78%	0.775	S	S	*	*			trans	92	152.2	155	-58.9	-48	0	0	0	120.8
1136	N	33.8	Very low	34.2	Very low	146 Å²	146	129.6 Å²	129.6	78%	0.781	77%	0.772	S	S	*	*			cis	-173.9	123.1	-32.3	-171.9	5.4	0	0	0	110
1137	A	33.2	Very low	34.9	Very low	93 Å²	93	129.6 Å²	129.6	77%	0.769	77%	0.77	S	S	*	*			trans	-159	111.7	168.4	0	0	0	0	0	116.2
1138	K	32	Very low	34.9	Very low	186 Å²	186	130.5 Å²	130.5	81%	0.809	77%	0.766	S	S	*	*			trans	22	114.8	136.9	-63.9	177.7	178.2	176.8	0	121.7
1139	T	30.2	Very low	35.3	Very low	133 Å²	133	136.9 Å²	136.9	82%	0.816	78%	0.776	S	S	*	*			trans	75.4	-174.1	130.8	71.8	0	0	0	0	117.8
1140	P	42.8	Very low	35.7	Very low	111 Å²	111	132.9 Å²	132.9	72%	0.721	77%	0.773	S	S	*	*				-133.6	-147.2	-114.5	42.4	-17.7	0	0	0	111.4
1141	P	45.4	Very low	36.3	Very low	121 Å²	121	132.8 Å²	132.8	79%	0.786	77%	0.77	S	S	*	*			cis	-129.7	-144.7	-16.4	43.1	-23.9	0	0	0	112.6
1142	K	23.7	Very low	35.5	Very low	183 Å²	183	132.1 Å²	132.1	80%	0.796	77%	0.769	S	S	*	*			trans	-81.3	170	175	-52.4	166.3	-178.6	171.9	0	112.4
1143	S	29.1	Very low	35.7	Very low	113 Å²	113	132.6 Å²	132.6	79%	0.79	76%	0.764	S	S	*	*			trans	74.7	169.4	148.2	82.9	0	0	0	0	116.4
1144	P	45.6	Very low	35.7	Very low	106 Å²	106	131.9 Å²	131.9	69%	0.688	76%	0.76	S	S	*	*			cis	-138.1	168.7	8.5	45.3	-28.5	0	0	0	118
1145	V	29.5	Very low	35.1	Very low	121 Å²	121	134 Å²	134	73%	0.733	77%	0.773	S	S	*	*			trans	51.6	115.7	133.7	168.8	0	0	0	0	119.8
1146	V	29.1	Very low	35.2	Very low	125 Å²	125	137 Å²	137	76%	0.758	78%	0.777	S	S	*	*				73	141.1	76.8	138.8	0	0	0	0	113.8
1147	P	48.1	Very low	35.2	Very low	96 Å²	96	134.5 Å²	134.5	62%	0.623	77%	0.772	S	S	*	*			cis	-149.2	-166.7	-13.8	41.8	-21.1	0	0	0	117.6
1148	R	32.3	Very low	35.2	Very low	201 Å²	201	134.7 Å²	134.7	76%	0.758	77%	0.767	S	S	*	*			trans	101	124.5	137	-89.2	174.4	-169.8	-135.3	-2.4	122.5
1149	R	36.2	Very low	35.7	Very low	223 Å²	223	131 Å²	131	84%	0.842	76%	0.764	S	S	*	*			trans	87	154.2	145.5	-71.6	179.1	170.6	-179.9	-5.7	119.4
1150	S	34.9	Very low	35.7	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	77%	0.768	S	S	*	*			trans	-114.9	-173.8	-158.5	-25.8	0	0	0	0	110.9
1151	P	48.9	Very low	36.5	Very low	114 Å²	114	132.5 Å²	132.5	74%	0.74	77%	0.767	S	S	*	*			cis	-135.2	168.3	-6	40.4	-24.5	0	0	0	115.6
1152	S	32.8	Very low	35.8	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	77%	0.771	S	S	*	*			trans	166.5	157.2	134.9	47.1	0	0	0	0	113.8
1153	A	31.1	Very low	35.9	Very low	91 Å²	91	135 Å²	135	75%	0.752	77%	0.769	S	S	*	*			trans	63.8	139.4	162.8	0	0	0	0	0	121.7
1154	S	29.9	Very low	35.8	Very low	110 Å²	110	134 Å²	134	77%	0.769	76%	0.762	S	S	*	*			trans	67.8	115.7	158.8	-58.3	0	0	0	0	120
1155	P	39.7	Very low	34.9	Very low	136 Å²	136	134.1 Å²	134.1	88%	0.883	77%	0.765	S	S	*	*			trans	-78.7	145.9	170.1	33	-33.6	0	0	0	112.3
1156	R	30.8	Very low	34.8	Very low	236 Å²	236	133.1 Å²	133.1	89%	0.891	76%	0.764	S	S	*	*			trans	-130.7	131.3	-178.2	-111.1	-175.3	180	-177.4	0.6	112.6
1157	S	34.3	Very low	34.7	Very low	94 Å²	94	132.6 Å²	132.6	66%	0.657	77%	0.766	S	S	*	*			trans	34.7	120.8	141.9	62.8	0	0	0	0	121.7
1158	S	32.8	Very low	34.5	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	77%	0.773	S	S	*	*			trans	61.2	117.3	131.2	66	0	0	0	0	122.3
1159	S	42.1	Very low	34.3	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	77%	0.772	S	S	*	*			trans	55.8	146.3	135.6	66	0	0	0	0	121.9
1160	L	30.1	Very low	34	Very low	172 Å²	172	130.4 Å²	130.4	90%	0.901	78%	0.777	S	S	*	*			trans	-177.1	166.3	133.1	-95.9	179.4	0	0	0	111.2
1161	P	60.9	Low	33.7	Very low	105 Å²	105	130 Å²	130	68%	0.682	78%	0.78	S	S	*	*			trans	-125	-172.4	-167.7	45.6	-34.4	0	0	0	115
1162	R	30	Very low	32.6	Very low	233 Å²	233	128.5 Å²	128.5	88%	0.879	79%	0.786	S	S	*	*			trans	176	153.2	157.1	-99.2	152.3	-175.7	-157.1	0.9	109
1163	T	25.8	Very low	32.7	Very low	122 Å²	122	133.8 Å²	133.8	75%	0.748	79%	0.787	S	S	*	*			cis	-161.4	177.6	0.8	-0.7	0	0	0	0	112.6
1164	S	26.4	Very low	33.2	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	79%	0.787	S	S	*	*			trans	68.4	91.7	142.4	57.1	0	0	0	0	123.1
1165	S	26.3	Very low	33.3	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	78%	0.781	S	S	*	*				67.6	145.1	111.1	63.4	0	0	0	0	125.6
1166	S	27.3	Very low	33	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	77%	0.772	S	S	*	*			trans	71.7	104.2	148.4	49.6	0	0	0	0	122.5
1167	S	27.2	Very low	32.9	Very low	114 Å²	114	131 Å²	131	80%	0.797	76%	0.758	S	S	*	*				25.2	158.1	104.7	-46.5	0	0	0	0	121.2
1168	P	44.3	Very low	32.6	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	76%	0.756	S	S	*	*			cis	-140.5	-162.4	-0.7	30.2	-3.9	0	0	0	115.9
1169	S	28.3	Very low	32.4	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	76%	0.762	S	S	*	*			trans	95.4	77.7	143.1	-59.6	0	0	0	0	123.7
1170	R	31	Very low	31.7	Very low	250 Å²	250	137.6 Å²	137.6	94%	0.943	76%	0.757	S	S	*	*				25.5	121.4	114.5	-174.1	-166.3	-162.1	-167.3	7	120.5
1171	A	26.8	Very low	31.6	Very low	106 Å²	106	134.2 Å²	134.2	88%	0.876	75%	0.747	S	S	*	*				175.9	155.3	122.5	0	0	0	0	0	113.2
1172	G	26.9	Very low	30.3	Very low	82 Å²	82	134.6 Å²	134.6	85%	0.845	75%	0.752	S	S	*	*			trans	138.8	98.5	164	0	0	0	0	0	118.4
1173	R	33.6	Very low	31.2	Very low	228 Å²	228	128.3 Å²	128.3	86%	0.86	74%	0.742	S	S	*	*			trans	-132.8	159.6	157.5	-116.3	-169.9	-173.4	-151.1	4	105.7
1174	P	43.3	Very low	31.7	Very low	114 Å²	114	130.7 Å²	130.7	74%	0.74	74%	0.744	S	S	*	*				-159	175.7	57.4	44.2	-22.5	0	0	0	119.6
1175	H	32	Very low	32	Very low	141 Å²	141	134.1 Å²	134.1	65%	0.653	75%	0.754	S	S	*	*			trans	40.8	138.6	142.7	-86.8	-95.4	0	0	0	127.5
1176	H	33	Very low	32.3	Very low	148 Å²	148	132 Å²	132	69%	0.685	75%	0.75	S	S	*	*			trans	93	113.7	130.9	-92.8	-44.4	0	0	0	124.7
1177	D	27.8	Very low	32.5	Very low	113 Å²	113	138.9 Å²	138.9	60%	0.604	76%	0.76	S	S	*	*				90.3	125.8	116.9	-103.1	45.7	0	0	0	126.7
1178	Q	28	Very low	32.7	Very low	133 Å²	133	137.1 Å²	137.1	62%	0.621	75%	0.748	S	S	*	*			trans	83.6	141.5	131.4	-102.5	-174.4	87	0	0	124.3
1179	R	28.9	Very low	32	Very low	213 Å²	213	140.2 Å²	140.2	80%	0.804	75%	0.749	S	S	*	*			trans	71.2	154.4	151.7	-70.2	177.2	-177.4	-138.5	-1.7	118.9
1180	S	28.1	Very low	32.1	Very low	90 Å²	90	137.8 Å²	137.8	63%	0.629	73%	0.732	S	S	*	*			cis	-166.9	172.9	-23.2	54.6	0	0	0	0	112
1181	S	28.6	Very low	34	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	71%	0.712	S	S	*	*			trans	61.7	107.1	144	56.2	0	0	0	0	121.3
1182	S	32.6	Very low	35.1	Very low	113 Å²	113	130 Å²	130	79%	0.79	71%	0.705	S	S	*	*				-10.7	165.8	119.5	-45.8	0	0	0	0	117.3
1183	P	50	Low	35.3	Very low	101 Å²	101	130.7 Å²	130.7	66%	0.656	70%	0.697	S	S	*	*			cis	-162.8	176.8	40.1	47.2	-25.3	0	0	0	121.8
1184	H	34.8	Very low	35.3	Very low	173 Å²	173	128.2 Å²	128.2	80%	0.801	70%	0.695	S	S	*	*			trans	57.8	163.4	141.7	-66.6	-23.4	0	0	0	121
1185	L	33.9	Very low	34.7	Very low	165 Å²	165	128.6 Å²	128.6	86%	0.864	70%	0.7	S	S	*	*			cis	-128.8	172.1	-9.5	-75.1	93	0	0	0	107.9
1186	G	31.5	Very low	34.8	Very low	64 Å²	64	125 Å²	125	66%	0.66	70%	0.702	S	S	*	*			cis	141.3	144.6	-7.9	0	0	0	0	0	114.2
1187	R	31.9	Very low	35	Very low	245 Å²	245	124 Å²	124	93%	0.925	71%	0.712	S	S	*	*			trans	67.9	163.6	168.8	-72.2	-179.2	172.8	175	-1.5	118.7
1188	S	30.9	Very low	35.5	Very low	77 Å²	77	123.5 Å²	123.5	54%	0.538	72%	0.716	S	S	.	*			cis	-178.7	155.7	-38	62.7	0	0	0	0	112.1
1189	K	31.3	Very low	36.1	Very low	182 Å²	182	122.4 Å²	122.4	79%	0.791	72%	0.724	S	S	*	*			trans	75.3	144.2	169.7	-48.8	168.8	-172.6	178.9	0	114.5
1190	S	30	Very low	36.4	Very low	56 Å²	56	117 Å²	117	39%	0.392	72%	0.718	S	S	.	*			cis	89.9	82.4	19.3	-63.3	0	0	0	0	118.7	R444	R444-S1190 PolarHBondContact NH1-OG 2.71Å
1191	P	70.4	Confident	36.9	Very low	81 Å²	81	123.7 Å²	123.7	53%	0.526	73%	0.73	S	S	.	*			trans	-101	179.4	169.2	39.8	-33.7	0	0	0	114.9	S445	S445-P1191 WeakPolarHBondContact OG-CD 3.07Å
1192	P	48.7	Very low	37.4	Very low	112 Å²	112	128 Å²	128	73%	0.727	73%	0.731	S	S	*	*			trans	-133.8	131.4	-169.8	38.5	-19.3	0	0	0	119.1
1193	S	32.3	Very low	37.6	Very low	96 Å²	96	126.6 Å²	126.6	67%	0.671	72%	0.721	S	S	*	*			trans	34.7	146.2	134.4	65.2	0	0	0	0	126.3
1194	H	32.8	Very low	36.8	Very low	175 Å²	175	126 Å²	126	81%	0.81	72%	0.718	S	S	*	*			trans	110.9	132.2	136.8	-75.9	-61.1	0	0	0	122.8
1195	S	32.2	Very low	36.8	Very low	122 Å²	122	125.5 Å²	125.5	85%	0.853	72%	0.716	S	S	*	*			trans	71.9	149.4	150.1	-57.3	0	0	0	0	120.7
1196	G	32.8	Very low	37	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	71%	0.71	S	S	*	*			cis	163.5	173.4	-10.5	0	0	0	0	0	115.5
1197	S	37.5	Very low	37.1	Very low	127 Å²	127	129.4 Å²	129.4	89%	0.888	71%	0.713	S	S	*	*			trans	79.4	162.7	167.7	-36	0	0	0	0	117.9
1198	S	37.9	Very low	37.4	Very low	101 Å²	101	124.7 Å²	124.7	71%	0.706	70%	0.701	S	S	*	*			cis	-161.9	152.6	8.6	-153.6	0	0	0	0	116.7
1199	S	41	Very low	37.2	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	71%	0.705	S	S	*	*			trans	67	162.2	147	-58.8	0	0	0	0	120.8
1200	S	34.4	Very low	37.2	Very low	98 Å²	98	124.5 Å²	124.5	69%	0.685	70%	0.701	S	S	*	*			cis	-154.6	153.8	12.4	-156.8	0	0	0	0	115.5
1201	R	38.8	Very low	38.2	Very low	231 Å²	231	127.6 Å²	127.6	87%	0.872	72%	0.719	S	S	*	*			trans	20.1	146.9	149.9	-63.4	177.8	-179.1	-153.8	-1.3	120.9
1202	R	39.6	Very low	36.2	Very low	191 Å²	191	129 Å²	129	72%	0.721	73%	0.732	S	S	*	*			cis	-168.8	-175.1	3.7	-120.3	-155.5	143.6	-128.5	6.6	105.7
1203	S	37.4	Very low	36.1	Very low	84 Å²	84	132.5 Å²	132.5	59%	0.587	74%	0.735	S	S	*	*			cis	-179.8	178.6	-19.3	55.6	0	0	0	0	107.8
1204	C	32.7	Very low	36	Very low	88 Å²	88	135.9 Å²	135.9	60%	0.595	75%	0.746	S	S	*	*			cis	-152.1	-146.1	0.1	-134	0	0	0	0	107.1
1205	Q	35.9	Very low	35.7	Very low	162 Å²	162	131 Å²	131	76%	0.757	74%	0.744	S	S	*	*			cis	-144.6	-64.9	2.1	-165.3	114.3	-68.2	0	0	113.6
1206	Q	36.5	Very low	35.6	Very low	158 Å²	158	132.6 Å²	132.6	74%	0.738	74%	0.742	S	S	*	*			trans	-133.8	162.9	-172	-74.5	-175.7	-78.1	0	0	109.9
1207	E	34.5	Very low	35.7	Very low	154 Å²	154	139 Å²	139	72%	0.72	75%	0.75	S	S	*	*			cis	-173.6	149.7	-23.2	-102.8	-179.6	-117.8	0	0	104.4
1208	H	37.6	Very low	35.2	Very low	146 Å²	146	137 Å²	137	68%	0.676	75%	0.75	S	S	*	*			cis	-142.5	-149.4	-30.2	-157.5	29.9	0	0	0	104.7
1209	C	26.6	Very low	35	Very low	92 Å²	92	138.6 Å²	138.6	62%	0.622	76%	0.761	S	S	*	*			cis	-145.3	-112.9	2	-170.2	0	0	0	0	111.6
1210	K	31.8	Very low	34.4	Very low	163 Å²	163	136.5 Å²	136.5	71%	0.709	76%	0.757	S	S	*	*			trans	-157.8	173	-158.1	-64.1	168.8	-167.3	158.9	0	108.8
1211	P	50.4	Low	34.2	Very low	120 Å²	120	137.1 Å²	137.1	78%	0.779	76%	0.761	S	S	*	*			cis	-128.2	-152.5	3.7	34.3	-12	0	0	0	111.6
1212	S	28.4	Very low	33.8	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	75%	0.754	S	S	*	*				-156.6	-174.4	-64.4	65.7	0	0	0	0	109
1213	K	46.7	Very low	33.4	Very low	184 Å²	184	131.2 Å²	131.2	80%	0.8	76%	0.755	S	S	*	*			trans	-88.1	176.4	171.3	-78.2	-175.2	175.6	179.2	0	113.1
1214	N	29.7	Very low	33.2	Very low	167 Å²	167	134.4 Å²	134.4	89%	0.893	76%	0.76	S	S	*	*			trans	102.2	152.8	167.1	-51.9	-22	0	0	0	114.3
1215	G	26.8	Very low	33.3	Very low	74 Å²	74	137.5 Å²	137.5	76%	0.763	77%	0.766	S	S	*	*			cis	-161.5	-158.1	7.2	0	0	0	0	0	114.8
1216	L	30.1	Very low	33.3	Very low	155 Å²	155	134.9 Å²	134.9	81%	0.812	77%	0.765	S	S	*	*			trans	-101.3	156.2	-170.8	-73.7	123.3	0	0	0	114.2
1217	K	35.3	Very low	33.2	Very low	201 Å²	201	131.6 Å²	131.6	87%	0.874	77%	0.765	S	S	*	*			trans	48.5	127.3	147.6	-66.1	172.3	178.9	-179.8	0	119.1
1218	G	27.2	Very low	33.2	Very low	85 Å²	85	129.5 Å²	129.5	88%	0.876	77%	0.768	S	S	*	*			trans	-147.3	144.9	168.8	0	0	0	0	0	114
1219	S	34.2	Very low	32.9	Very low	134 Å²	134	127.7 Å²	127.7	94%	0.937	77%	0.767	S	S	*	*			trans	-116.2	152.9	-177.8	174.4	0	0	0	0	110.9
1220	G	28	Very low	33.1	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	78%	0.775	S	S	*	*			trans	148.4	123.2	176.3	0	0	0	0	0	110.3
1221	S	30.3	Very low	33.1	Very low	111 Å²	111	130.2 Å²	130.2	78%	0.776	78%	0.778	S	S	*	*			cis	96.8	128	25	-159.6	0	0	0	0	114.2
1222	L	29.2	Very low	33.9	Very low	140 Å²	140	130.5 Å²	130.5	73%	0.733	78%	0.779	S	S	*	*			trans	70	104.4	166.8	-62.8	166.9	0	0	0	120.9
1223	H	31.3	Very low	35	Very low	159 Å²	159	131.1 Å²	131.1	74%	0.736	78%	0.781	S	S	*	*				84.8	137.2	120.6	-82.8	46.5	0	0	0	124
1224	H	34.4	Very low	34.5	Very low	151 Å²	151	125.6 Å²	125.6	70%	0.699	78%	0.776	S	S	*	*			trans	86	132.4	149.6	-88.7	-75	0	0	0	123.8
1225	H	34	Very low	34.8	Very low	153 Å²	153	126.9 Å²	126.9	71%	0.708	77%	0.774	S	S	*	*			trans	72.8	94	157.4	-70	-62.1	0	0	0	123
1226	S	36.3	Very low	35.2	Very low	107 Å²	107	127.7 Å²	127.7	75%	0.748	77%	0.768	S	S	*	*				52.6	138.2	121.5	44.2	0	0	0	0	122
1227	A	35	Very low	35.1	Very low	88 Å²	88	127.6 Å²	127.6	73%	0.727	76%	0.761	S	S	*	*			cis	-164.8	168.3	0.6	0	0	0	0	0	113.7
1228	S	33.1	Very low	35.7	Very low	111 Å²	111	121 Å²	121	78%	0.776	74%	0.739	S	S	*	*			trans	66.5	136.4	158.5	-88.8	0	0	0	0	119.8
1229	T	33	Very low	35.9	Very low	107 Å²	107	119.8 Å²	119.8	66%	0.656	72%	0.72	S	S	*	*			cis	-161.9	145	-11.2	0.8	0	0	0	0	111
1230	K	30.6	Very low	35.8	Very low	185 Å²	185	118.4 Å²	118.4	80%	0.804	71%	0.71	S	S	*	*			trans	49.7	145.3	144.9	-69.6	168.4	-179	177.9	0	121.3
1231	T	30.9	Very low	35.8	Very low	123 Å²	123	124.6 Å²	124.6	76%	0.755	72%	0.718	S	S	*	*			cis	169.7	136.3	-38.5	29.7	0	0	0	0	108.7
1232	P	66.5	Low	35.7	Very low	126 Å²	126	126.7 Å²	126.7	82%	0.818	72%	0.72	S	S	*	*			trans	-115.3	133.5	179.6	37.1	-28.2	0	0	0	116.8
1233	P	53.1	Low	35.7	Very low	125 Å²	125	125 Å²	125	81%	0.812	72%	0.72	S	S	*	*			trans	-94.6	-177.4	156.2	37.5	-31.3	0	0	0	111.1
1234	G	35.6	Very low	35.8	Very low	68 Å²	68	127 Å²	127	70%	0.701	72%	0.721	S	S	*	*			cis	150.7	162.9	-8.9	0	0	0	0	0	111.7
1235	K	36.9	Very low	35.9	Very low	194 Å²	194	125.8 Å²	125.8	84%	0.843	72%	0.722	S	S	*	*			cis	-171.5	140.3	-8.4	-119.9	177.3	-174.8	177.3	0	112.5
1236	S	33.9	Very low	36	Very low	92 Å²	92	124.3 Å²	124.3	64%	0.643	72%	0.723	S	S	*	*			trans	56.8	128.4	140.2	66.6	0	0	0	0	125.7
1237	K	29.2	Very low	35.9	Very low	153 Å²	153	125.3 Å²	125.3	67%	0.665	72%	0.721	S	S	*	*				62	165.6	129.3	-77.1	-172.5	178	-175.6	0	120.8
1238	P	46.1	Very low	36	Very low	62 Å²	62	127.5 Å²	127.5	40%	0.403	72%	0.721	S	S	.	*			cis	-137.9	-173.1	-29.1	37.7	-18.4	0	0	0	115.4	A417	A417-P1238 WeakPolarHBondContact CB-O 3.07Å
1239	A	33.4	Very low	36.2	Very low	59 Å²	59	128.5 Å²	128.5	49%	0.488	72%	0.718	S	S	.	*			trans	87.6	144.6	143.2	0	0	0	0	0	124.3
1240	S	30.9	Very low	36.4	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	72%	0.722	S	S	*	*			trans	58.8	117.2	152.2	64.5	0	0	0	0	124.5
1241	K	29	Very low	36.8	Very low	197 Å²	197	126 Å²	126	86%	0.857	72%	0.716	S	S	*	*				57.8	142.6	129.3	-73	-171.3	-179.4	-178.3	0	122.4
1242	L	28.1	Very low	37.3	Very low	156 Å²	156	126.2 Å²	126.2	82%	0.817	71%	0.713	S	S	*	*			trans	85.8	130.3	147.9	-78.1	161.2	0	0	0	121
1243	S	28.4	Very low	34.8	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	70%	0.704	S	S	*	*			trans	66.9	125.1	144.9	58.8	0	0	0	0	122.5
1244	R	33.4	Very low	33.2	Very low	199 Å²	199	126.4 Å²	126.4	75%	0.751	69%	0.694	S	S	*	*			trans	73.2	0	167	-74.1	-171.5	159.7	-142.8	-10.6	116.9	S1103 D1106	S1103-R1244 PolarHBondContact OG-NH1 2.95Å; S1103-R1244 VanDerWaalsContact OG-NH1 3.12Å; S1103-R1244 PolarHBondContact OG-NH2 3.09Å; D1106-R1244 IonicContact OD1-NH2 2.89Å; D1106-R1244 PolarHBondContact OD1-NH2 2.86Å; D1106-R1244 IonicContact OD2-CZ 3.85Å; D1106-R1244 IonicContact OD2-NH2 2.86Å; D1106-R1244 PolarHBondContact OD2-NH2 3.01Å

Retrieved 1,244 of 1,244 residues in 162.2 ms (Link to these results)

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