A0A5K4FC59_SCHMA Loading...

PID domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,134 aa.

						>A0A5K4FC59_SCHMA|A0A5K4FC59
MPFRRHAYDFMLDDGLDTRIPVYSDEVFKQGIHFCAKFVGGMDIPRPQNRLEIVSSMRRIRYEFKEKGIKKQKVLIKISADGVFIYLRKKPKFGIRWPVSRTFISSSQNPGNRVFSEILTTDTTSVKDSNGITGEYDAISATGSGLLGLGLRDTSMLDCIHQSNLLLYHPIYRIFYVSHDSQDLKIFSYIARDSRTSVFRCNVFKAYKKLQAMRIVRTVGQAFDVCHRIALQKQGQQPETTENNNNGNNVDENNEPDQDNIEKSDKKTTNTTINHTDSSNKLDDSNKLTKHNGDLNHHKTKSKHKFKQHKTIKQEKVVNLKNDRKIEKHRDRKTTHDSTINDHGDDDVDKGNKENEIKKSYKSHKTKDLLNDLNKTDNTLVDIEPVELIHESIELIDIDHDQQEKSCHKSKSTINQQKSYRKKHTSKFSSGSETESSPCIHNHSRDNSETSKSSKQTITSNSSVNSRILTDHSISNASSLSSICSKDKLQIRHRHEHHKHHKRRPTSSHKSTKLKTSITTRDLVWMLQTGEDRNEKTDLFTKELLSLFTENTASTSLLLEQGRRMHQSRSLDTNVARDLLNESSLQSPNNLSNTLLTDSALPETLSTDQKSIGTVSSEMTNINSLCQYQSNKPILPNSSVDTSLHQHCIKQLVRQNWDLRTWLNQMSDRLERLELLTSNKIEHNNNPIIQSTNTNNPNNNVNISMNQSKLFTTGNDKFISDRRLLPNSASFSVQSGNKSITDQNVLNSLSFSGWNNSVNPNNETNYKPLSNSNPFRMPRSISALTGTIDEMNIIRSEFNTPYSTYLTNKPSIPSSLNENCKILNSNNSHITSKETTNLEDDGFLQLANRKEVSELQDKFKTLKHSWSMKGGNNLSIQDQIFGVTSLPRSISAVNSPLEAMAFETTVSSNQLMNQTCSQNNCFQTINSNMNCVQTLQSSKGTEHQIKDVTLVSNERNGTSSFLKLLPQPPKRKNSATTQIDHKMNNHEHTSIEATLGIGELTDYNTTNELSKLTSIEQTSDLNELGNFKNTTTYLPTDSSSNLQLQSSLDKHPNDPCKYDHIIESNLLESMTSDEKYISSTDDECITTSKLNKTLLKKSNSIHNHFYSMPNKNSTFIINKDKLIMYMKRNFKYIK
					

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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	41	Very low	41.8	Very low	225 Å²	225	170.4 Å²	170.4	100%	1.108	80%	0.803	S	S	*	*				0	141.2	0	-65.5	-177.8	-179.6	0	0	108.3	F3	M1-F3 PolarHBondContact O-N 2.73Å
2	P	45.6	Very low	42	Very low	127 Å²	127	168.2 Å²	168.2	83%	0.825	80%	0.799	S	S	*	*			trans	-80.2	110.1	-171.8	30.3	-33.6	0	0	0	112.5	R4	P2-R4 PolarHBondContact O-N 2.61Å; P2-R4 VanDerWaalsContact O-N 3.09Å
3	F	40.6	Very low	42.3	Very low	201 Å²	201	165.4 Å²	165.4	88%	0.882	79%	0.792	S	S	*	*			trans	-69.9	97	163.6	-77.5	-96.4	0	0	0	109.2	M1 R5	M1-F3 PolarHBondContact O-N 2.73Å; F3-R5 PolarHBondContact O-N 3.11Å; F3-R5 VanDerWaalsContact O-N 3.14Å
4	R	43.3	Very low	42.8	Very low	214 Å²	214	160.2 Å²	160.2	81%	0.808	77%	0.771	S	S	*	*			trans	-70.2	108.2	168.7	-81	-163.7	176.3	-133.5	-0.4	109.5	P2 H6	P2-R4 PolarHBondContact O-N 2.61Å; P2-R4 VanDerWaalsContact O-N 3.09Å; R4-H6 PolarHBondContact O-N 3.48Å; R4-H6 VanDerWaalsContact O-N 3.14Å
5	R	42.4	Very low	43.1	Very low	243 Å²	243	155.4 Å²	155.4	92%	0.917	78%	0.78	S	S	*	*			trans	-63.8	106.9	164.4	-54.7	179.6	-168.8	113.1	-2.7	107.8	F3	F3-R5 PolarHBondContact O-N 3.11Å; F3-R5 VanDerWaalsContact O-N 3.14Å
6	H	47.1	Very low	44	Very low	152 Å²	152	150.3 Å²	150.3	70%	0.704	76%	0.755	S	S	*	*			trans	-109.1	130	155.1	-78.1	-77.8	0	0	0	106.4	R4	R4-H6 PolarHBondContact O-N 3.48Å; R4-H6 VanDerWaalsContact O-N 3.14Å
7	A	43.9	Very low	45	Very low	95 Å²	95	144.7 Å²	144.7	79%	0.785	73%	0.728	S	S	*	*			trans	-64.8	158.3	-170.3	0	0	0	0	0	112.3	D9	A7-D9 PolarHBondContact O-N 3.44Å
8	Y	32.1	Very low	46.2	Very low	209 Å²	209	143 Å²	143	82%	0.82	73%	0.727	S	S	*	*			trans	-75.4	73.1	167.1	-75.1	-74.1	0	0	0	110.1	F10	Y8-F10 HydrophobicContact CD1-CD2 4.16Å; Y8-F10 AromaticContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CZ 4.24Å; Y8-F10 HydrophobicContact CE1-CE2 4.25Å; Y8-F10 HydrophobicContact CG-CD2 4.43Å; Y8-F10 HydrophobicContact CG-CE2 4.15Å; Y8-F10 PolarHBondContact O-N 2.91Å
9	D	40	Very low	47.4	Very low	118 Å²	118	146.6 Å²	146.6	63%	0.631	73%	0.73	S	S	*	*			trans	-70.7	101.6	162.5	-165	-5.9	0	0	0	108.5	A7 M11	A7-D9 PolarHBondContact O-N 3.44Å; D9-M11 PolarHBondContact OD1-N 3.24Å
10	F	42.2	Very low	49	Very low	138 Å²	138	144.1 Å²	144.1	61%	0.605	72%	0.719	S	S	*	*			trans	-100.1	10.7	178	-96.3	-61.1	0	0	0	112.3	Y8	Y8-F10 HydrophobicContact CD1-CD2 4.16Å; Y8-F10 AromaticContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CE2 3.52Å; Y8-F10 HydrophobicContact CD1-CZ 4.24Å; Y8-F10 HydrophobicContact CE1-CE2 4.25Å; Y8-F10 HydrophobicContact CG-CD2 4.43Å; Y8-F10 HydrophobicContact CG-CE2 4.15Å; Y8-F10 PolarHBondContact O-N 2.91Å
11	M	41.8	Very low	50.5	Low	152 Å²	152	141.5 Å²	141.5	75%	0.749	71%	0.712	S	S	*	*			trans	-121.1	174.6	176.1	-68.6	-177.9	63.6	0	0	111.1	D9	D9-M11 PolarHBondContact OD1-N 3.24Å
12	L	44.5	Very low	52.4	Low	144 Å²	144	132.6 Å²	132.6	75%	0.754	67%	0.67	S	S	*	*			trans	66.7	157.9	-178.6	-46.5	-178.3	0	0	0	115.6
13	D	45.1	Very low	54.5	Low	132 Å²	132	128.8 Å²	128.8	71%	0.706	64%	0.64	S	S	*	*	S	Bend	trans	49.1	90.9	-174.9	-64.2	-1.8	0	0	0	116.6
14	D	49.2	Very low	56.9	Low	93 Å²	93	122.5 Å²	122.5	50%	0.497	62%	0.621	S	S	.	*			cis	-125.7	162.9	10.5	-41.8	-68.5	0	0	0	111.4	L16 L210	D14-L16 PolarHBondContact O-N 2.9Å; D14-L210 VanDerWaalsContact OD2-CD2 3.28Å; D14-L210 WeakPolarHBondContact OD2-CD2 3.39Å
15	G	48	Very low	59.1	Low	88 Å²	88	115.4 Å²	115.4	91%	0.907	60%	0.599	S	S	*	*			trans	-65.8	40.2	-177.4	0	0	0	0	0	117.8	D17	G15-D17 PolarHBondContact O-N 3.31Å
16	L	57.2	Low	61.4	Low	74 Å²	74	108.3 Å²	108.3	39%	0.387	58%	0.576	S	S	.	*			trans	-89.3	88.8	169.4	-71.3	169.9	0	0	0	109.6	D14 T18 R217	D14-L16 PolarHBondContact O-N 2.9Å; L16-T18 PolarHBondContact O-N 3.48Å; L16-R217 PolarHBondContact O-NH2 3.26Å; L16-R217 VanDerWaalsContact O-NH2 3.08Å
17	D	61	Low	63.5	Low	55 Å²	55	102.8 Å²	102.8	29%	0.294	55%	0.553	S	S	.	*			trans	-47.8	127.3	165.4	178.8	-9.9	0	0	0	109.6	G15 R19 I20	G15-D17 PolarHBondContact O-N 3.31Å; D17-R19 PolarHBondContact O-N 3.31Å; D17-R19 VanDerWaalsContact O-N 3.17Å; D17-R19 VanDerWaalsContact OD1-CB 3.29Å; D17-R19 WeakPolarHBondContact OD1-CB 3.37Å; D17-R19 WeakPolarHBondContact OD1-CG 3.34Å; D17-R19 PolarHBondContact OD1-N 3.32Å; D17-R19 IonicContact OD1-NE 2.76Å; D17-R19 PolarHBondContact OD1-NE 3.35Å; D17-R19 VanDerWaalsContact OD1-NE 3.13Å; D17-R19 IonicContact OD2-CZ 2.67Å; D17-R19 IonicContact OD2-NE 2.78Å; D17-R19 PolarHBondContact OD2-NE 3.14Å; D17-R19 IonicContact OD2-NH2 3.13Å; D17-R19 PolarHBondContact OD2-NH2 3.09Å; D17-I20 HydrophobicContact CB-CD1 3.89Å; D17-I20 HydrophobicContact CB-CG1 4.01Å; D17-I20 PolarHBondContact O-N 3.3Å
18	T	67	Low	65.9	Low	114 Å²	114	98.3 Å²	98.3	70%	0.699	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.3	-177.6	44.7	0	0	0	0	113.7	L16 I20	L16-T18 PolarHBondContact O-N 3.48Å; T18-I20 VanDerWaalsContact C-N 3.34Å
19	R	69.7	Low	68.6	Low	212 Å²	212	95.2 Å²	95.2	80%	0.8	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.1	172.5	-59.5	175.5	-67.1	-173	4.2	113.1	D17	D17-R19 PolarHBondContact O-N 3.31Å; D17-R19 VanDerWaalsContact O-N 3.17Å; D17-R19 VanDerWaalsContact OD1-CB 3.29Å; D17-R19 WeakPolarHBondContact OD1-CB 3.37Å; D17-R19 WeakPolarHBondContact OD1-CG 3.34Å; D17-R19 PolarHBondContact OD1-N 3.32Å; D17-R19 IonicContact OD1-NE 2.76Å; D17-R19 PolarHBondContact OD1-NE 3.35Å; D17-R19 VanDerWaalsContact OD1-NE 3.13Å; D17-R19 IonicContact OD2-CZ 2.67Å; D17-R19 IonicContact OD2-NE 2.78Å; D17-R19 PolarHBondContact OD2-NE 3.14Å; D17-R19 IonicContact OD2-NH2 3.13Å; D17-R19 PolarHBondContact OD2-NH2 3.09Å
20	I	78.4	Confident	70.9	Confident	96 Å²	96	94.5 Å²	94.5	49%	0.492	50%	0.5	S	S	.	.	S	Bend	trans	-88.1	126.8	-176.2	-59.3	177.3	0	0	0	110.6	D17 T18 V22 Q221	D17-I20 HydrophobicContact CB-CD1 3.89Å; D17-I20 HydrophobicContact CB-CG1 4.01Å; D17-I20 PolarHBondContact O-N 3.3Å; T18-I20 VanDerWaalsContact C-N 3.34Å; I20-V22 PolarHBondContact O-N 3.14Å; I20-Q221 PolarHBondContact O-NE2 3.5Å
21	P	79.9	Confident	73.3	Confident	89 Å²	89	88 Å²	88	58%	0.578	47%	0.471	S	S	*	.			trans	-56.3	129.8	169.3	-26.2	36.1	0	0	0	111.9
22	V	81.3	Confident	75.8	Confident	39 Å²	39	81.1 Å²	81.1	24%	0.236	44%	0.437	C	S	.	.	S	Bend	trans	-84.2	-20.7	179.3	-179.9	0	0	0	0	110.8	I20 R217 Q221	I20-V22 PolarHBondContact O-N 3.14Å; V22-R217 HydrophobicContact CG2-CB 4.36Å; V22-Q221 VanDerWaalsContact N-NE2 3.17Å
23	Y	90.5	Very high	78.2	Confident	46 Å²	46	75.2 Å²	75.2	18%	0.18	41%	0.406	C	S	.	.	S	Bend	trans	-141.2	147	175.2	-63.1	-87	0	0	0	108.4	V27 I32 F34 R214 T218	Y23-V27 HydrophobicContact CD1-CB 4.47Å; Y23-V27 HydrophobicContact CD1-CG1 4.13Å; Y23-I32 HydrophobicContact CD1-CD1 3.89Å; Y23-I32 HydrophobicContact CD1-CG1 4.16Å; Y23-I32 HydrophobicContact CD2-CD1 3.62Å; Y23-I32 HydrophobicContact CE1-CD1 4.36Å; Y23-I32 HydrophobicContact CE1-CG1 4.35Å; Y23-I32 HydrophobicContact CE1-CG2 3.91Å; Y23-I32 HydrophobicContact CE2-CD1 4.13Å; Y23-I32 HydrophobicContact CE2-CG2 4.05Å; Y23-I32 HydrophobicContact CG-CD1 3.48Å; Y23-I32 VanDerWaalsContact CG-CD1 3.48Å; Y23-I32 HydrophobicContact CG-CG1 4.26Å; Y23-F34 HydrophobicContact CE2-CZ 4.44Å; Y23-R214 PolarHBondContact OH-NH2 2.95Å; Y23-T218 HydrophobicContact CD2-CG2 4.15Å; Y23-T218 HydrophobicContact CE2-CG2 4.19Å; Y23-T218 WeakPolarHBondContact CE2-OG1 3.29Å
24	S	90.4	Very high	80.6	Confident	70 Å²	70	69.7 Å²	69.7	49%	0.49	38%	0.375	S	S	.	.			trans	-74.2	157.2	169	51	0	0	0	0	111.5	E26 V27	S24-E26 PolarHBondContact O-N 2.95Å; S24-V27 PolarHBondContact O-N 2.95Å
25	D	90.7	Very high	82.7	Confident	64 Å²	64	66.5 Å²	66.5	34%	0.342	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-40	-178.2	-67.4	0.9	0	0	0	112.6	V27 F28 R228	D25-V27 PolarHBondContact O-N 3.04Å; D25-F28 WeakPolarHBondContact O-CB 3.34Å; D25-F28 PolarHBondContact O-N 2.57Å; D25-R228 IonicContact OD1-NH2 2.65Å; D25-R228 PolarHBondContact OD1-NH2 3.21Å; D25-R228 IonicContact OD2-CZ 3.16Å; D25-R228 IonicContact OD2-NE 2.91Å; D25-R228 IonicContact OD2-NH2 2.78Å; D25-R228 PolarHBondContact OD2-NH2 2.84Å
26	E	89.6	Confident	85	Confident	94 Å²	94	62.3 Å²	62.3	44%	0.439	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35	178.2	-82.2	40.7	67	0	0	112.9	S24 F28 K29 Q30	S24-E26 PolarHBondContact O-N 2.95Å; E26-F28 VanDerWaalsContact C-N 3.26Å; E26-F28 PolarHBondContact O-N 3.31Å; E26-K29 VanDerWaalsContact O-CB 3.28Å; E26-K29 WeakPolarHBondContact O-CB 3.42Å; E26-K29 PolarHBondContact O-N 2.73Å; E26-K29 VanDerWaalsContact OE2-CE 3.29Å; E26-K29 WeakPolarHBondContact OE2-CE 3.12Å; E26-K29 IonicContact OE2-NZ 3.27Å; E26-K29 PolarHBondContact OE2-NZ 3.25Å; E26-Q30 PolarHBondContact O-NE2 3.46Å; E26-Q30 VanDerWaalsContact O-NE2 3.13Å; E26-Q30 PolarHBondContact O-OE1 2.96Å; E26-Q30 VanDerWaalsContact O-OE1 3.09Å
27	V	92.1	Very high	86.9	Confident	36 Å²	36	62.5 Å²	62.5	22%	0.218	32%	0.315	C	S	.	.	H	α-helix	trans	-70.3	-25.9	179.2	-162.2	0	0	0	0	111.3	Y23 S24 D25 K29 G31 I32	Y23-V27 HydrophobicContact CD1-CB 4.47Å; Y23-V27 HydrophobicContact CD1-CG1 4.13Å; S24-V27 PolarHBondContact O-N 2.95Å; D25-V27 PolarHBondContact O-N 3.04Å; V27-K29 PolarHBondContact O-N 2.98Å; V27-G31 WeakPolarHBondContact O-CA 3.46Å; V27-G31 PolarHBondContact O-N 3.07Å; V27-I32 HydrophobicContact CB-CG1 4.35Å; V27-I32 HydrophobicContact CG1-CD1 4.3Å; V27-I32 HydrophobicContact CG1-CG1 3.65Å
28	F	92.9	Very high	88.7	Confident	1 Å²	1	61 Å²	61	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-72.6	-13.3	172.8	-67	-87.9	0	0	0	113	D25 E26 I32 I78 S79 A80 T218 Q221 A222 V225	D25-F28 WeakPolarHBondContact O-CB 3.34Å; D25-F28 PolarHBondContact O-N 2.57Å; E26-F28 VanDerWaalsContact C-N 3.26Å; E26-F28 PolarHBondContact O-N 3.31Å; F28-I32 HydrophobicContact CD1-CD1 3.96Å; F28-I32 HydrophobicContact CD2-CD1 4.38Å; F28-I32 HydrophobicContact CE1-CD1 3.65Å; F28-I32 HydrophobicContact CE2-CD1 4.12Å; F28-I32 HydrophobicContact CG-CD1 4.31Å; F28-I32 HydrophobicContact CZ-CD1 3.74Å; F28-I78 HydrophobicContact CE1-CG2 4.44Å; F28-S79 WeakPolarHBondContact O-CA 3.44Å; F28-S79 VanDerWaalsContact O-CB 3.23Å; F28-S79 WeakPolarHBondContact O-CB 3.38Å; F28-A80 HydrophobicContact CB-CB 4.32Å; F28-A80 PolarHBondContact O-N 2.86Å; F28-A80 VanDerWaalsContact O-N 3.13Å; F28-T218 HydrophobicContact CE1-CG2 3.85Å; F28-T218 WeakPolarHBondContact CE1-O 3.42Å; F28-T218 HydrophobicContact CZ-CG2 4.11Å; F28-Q221 HydrophobicContact CE2-CB 4.27Å; F28-Q221 HydrophobicContact CZ-CB 3.71Å; F28-A222 HydrophobicContact CD1-CB 4.04Å; F28-A222 HydrophobicContact CE1-CB 3.8Å; F28-V225 HydrophobicContact CB-CG1 4.33Å; F28-V225 HydrophobicContact CD2-CG2 3.92Å; F28-V225 HydrophobicContact CE2-CG2 4.19Å; F28-V225 HydrophobicContact CG-CG2 4.33Å
29	K	89.4	Confident	90.1	Very high	144 Å²	144	55.7 Å²	55.7	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-76.9	-44.7	172.4	-59.6	174.3	175.6	166.7	0	111.6	E26 V27	E26-K29 VanDerWaalsContact O-CB 3.28Å; E26-K29 WeakPolarHBondContact O-CB 3.42Å; E26-K29 PolarHBondContact O-N 2.73Å; E26-K29 VanDerWaalsContact OE2-CE 3.29Å; E26-K29 WeakPolarHBondContact OE2-CE 3.12Å; E26-K29 IonicContact OE2-NZ 3.27Å; E26-K29 PolarHBondContact OE2-NZ 3.25Å; V27-K29 PolarHBondContact O-N 2.98Å
30	Q	88.3	Confident	91.4	Very high	104 Å²	104	45.6 Å²	45.6	49%	0.486	24%	0.235	S	C	.	.	H	α-helix	trans	-75.1	-36.2	171.5	-53.8	84.5	40.9	0	0	111.3	E26 K77 L149	E26-Q30 PolarHBondContact O-NE2 3.46Å; E26-Q30 VanDerWaalsContact O-NE2 3.13Å; E26-Q30 PolarHBondContact O-OE1 2.96Å; E26-Q30 VanDerWaalsContact O-OE1 3.09Å; Q30-K77 WeakPolarHBondContact O-CE 3.32Å; Q30-K77 PolarHBondContact O-NZ 2.67Å; Q30-L149 HydrophobicContact CB-CD2 4.35Å
31	G	92.3	Very high	92.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.			trans	91.9	140.2	177.9	0	0	0	0	0	113.6	V27 H33 I78	V27-G31 WeakPolarHBondContact O-CA 3.46Å; V27-G31 PolarHBondContact O-N 3.07Å; G31-H33 PolarHBondContact O-CD2 3.11Å; G31-H33 VanDerWaalsContact O-CD2 3.23Å; G31-I78 CarbonylContact C-O 3.58Å; G31-I78 VanDerWaalsContact CA-O 3.25Å; G31-I78 WeakPolarHBondContact CA-O 3.27Å
32	I	94.3	Very high	93	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.5	-167.3	-56.6	154.2	0	0	0	110.1	Y23 V27 F28 F34 K77 I78 T218	Y23-I32 HydrophobicContact CD1-CD1 3.89Å; Y23-I32 HydrophobicContact CD1-CG1 4.16Å; Y23-I32 HydrophobicContact CD2-CD1 3.62Å; Y23-I32 HydrophobicContact CE1-CD1 4.36Å; Y23-I32 HydrophobicContact CE1-CG1 4.35Å; Y23-I32 HydrophobicContact CE1-CG2 3.91Å; Y23-I32 HydrophobicContact CE2-CD1 4.13Å; Y23-I32 HydrophobicContact CE2-CG2 4.05Å; Y23-I32 HydrophobicContact CG-CD1 3.48Å; Y23-I32 VanDerWaalsContact CG-CD1 3.48Å; Y23-I32 HydrophobicContact CG-CG1 4.26Å; V27-I32 HydrophobicContact CB-CG1 4.35Å; V27-I32 HydrophobicContact CG1-CD1 4.3Å; V27-I32 HydrophobicContact CG1-CG1 3.65Å; F28-I32 HydrophobicContact CD1-CD1 3.96Å; F28-I32 HydrophobicContact CD2-CD1 4.38Å; F28-I32 HydrophobicContact CE1-CD1 3.65Å; F28-I32 HydrophobicContact CE2-CD1 4.12Å; F28-I32 HydrophobicContact CG-CD1 4.31Å; F28-I32 HydrophobicContact CZ-CD1 3.74Å; I32-F34 HydrophobicContact CB-CE2 4.25Å; I32-F34 HydrophobicContact CG2-CD2 4.28Å; I32-F34 HydrophobicContact CG2-CE2 3.45Å; I32-F34 VanDerWaalsContact CG2-CE2 3.45Å; I32-F34 HydrophobicContact CG2-CZ 3.74Å; I32-K77 WeakPolarHBondContact O-CA 3.41Å; I32-I78 PolarHBondContact N-O 3.13Å; I32-I78 PolarHBondContact O-N 2.78Å; I32-T218 HydrophobicContact CB-CG2 4.19Å; I32-T218 HydrophobicContact CD1-CG2 3.45Å; I32-T218 VanDerWaalsContact CD1-CG2 3.45Å; I32-T218 HydrophobicContact CG1-CG2 4.43Å; I32-T218 HydrophobicContact CG2-CG2 4.28Å
33	H	94.5	Very high	93.6	Very high	21 Å²	21	42 Å²	42	10%	0.097	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.5	-168.6	-79.3	-92.5	0	0	0	114	G31 L75 I76 L151 I160	G31-H33 PolarHBondContact O-CD2 3.11Å; G31-H33 VanDerWaalsContact O-CD2 3.23Å; H33-L75 HydrophobicContact CB-CD1 3.95Å; H33-I76 CarbonylContact C-O 3.57Å; H33-I76 WeakPolarHBondContact CA-O 3.26Å; H33-L151 HydrophobicContact CB-CD2 3.76Å; H33-L151 HydrophobicContact CB-CG 4.28Å; H33-I160 WeakPolarHBondContact CE1-CD1 3.28Å
34	F	95.3	Very high	93.8	Very high	15 Å²	15	40.6 Å²	40.6	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.2	179.6	-64.2	-84.9	0	0	0	113.1	Y23 I32 L75 I76 I78 R214 I215 T218	Y23-F34 HydrophobicContact CE2-CZ 4.44Å; I32-F34 HydrophobicContact CB-CE2 4.25Å; I32-F34 HydrophobicContact CG2-CD2 4.28Å; I32-F34 HydrophobicContact CG2-CE2 3.45Å; I32-F34 VanDerWaalsContact CG2-CE2 3.45Å; I32-F34 HydrophobicContact CG2-CZ 3.74Å; F34-L75 WeakPolarHBondContact O-CD1 3.38Å; F34-I76 PolarHBondContact N-O 3.28Å; F34-I76 PolarHBondContact O-N 3.27Å; F34-I78 HydrophobicContact CD2-CD1 4.01Å; F34-I78 HydrophobicContact CE2-CD1 3.9Å; F34-R214 HydrophobicContact CE1-CB 4.29Å; F34-I215 HydrophobicContact CB-CD1 3.84Å; F34-I215 HydrophobicContact CB-CG1 3.86Å; F34-I215 HydrophobicContact CD1-CD1 4.09Å; F34-I215 HydrophobicContact CD1-CG1 3.49Å; F34-I215 VanDerWaalsContact CD1-CG1 3.49Å; F34-I215 HydrophobicContact CD2-CG1 3.85Å; F34-I215 HydrophobicContact CE1-CG1 3.91Å; F34-I215 HydrophobicContact CE2-CG1 4.23Å; F34-I215 HydrophobicContact CG-CD1 4.01Å; F34-I215 HydrophobicContact CG-CG1 3.45Å; F34-I215 VanDerWaalsContact CG-CG1 3.45Å; F34-I215 HydrophobicContact CZ-CG1 4.26Å; F34-T218 HydrophobicContact CE2-CG2 4.06Å; F34-T218 HydrophobicContact CZ-CG2 4.45Å; F34-T218 WeakPolarHBondContact CZ-OG1 3.13Å
35	C	94.5	Very high	94	Very high	27 Å²	27	42.3 Å²	42.3	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.5	168	-78.3	0	0	0	0	111.4	R88 M156 Y207 Q211	C35-R88 PolarHBondContact SG-NH1 2.81Å; C35-M156 WeakPolarHBondContact SG-CE 3.49Å; C35-M156 VanDerWaalsContact SG-SD 3.69Å; C35-Y207 HydrophobicContact CB-CD2 4.41Å; C35-Y207 HydrophobicContact CB-CE2 3.9Å; C35-Y207 WeakPolarHBondContact O-CD2 3.46Å; C35-Y207 WeakPolarHBondContact O-CE2 3.44Å; C35-Q211 PolarHBondContact O-NE2 3.08Å
36	A	96.3	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	-178.4	174	0	0	0	0	0	112.1	V74 I76 F187	A36-V74 HydrophobicContact CB-CG2 4.05Å; A36-V74 PolarHBondContact N-O 3.49Å; A36-V74 PolarHBondContact O-N 2.99Å; A36-I76 HydrophobicContact CB-CD1 3.77Å; A36-I76 HydrophobicContact CB-CG1 4.28Å; A36-F187 HydrophobicContact CB-CE1 4.46Å; A36-F187 HydrophobicContact CB-CZ 4.21Å
37	K	97.2	Very high	94.1	Very high	78 Å²	78	41.3 Å²	41.3	34%	0.339	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.2	167.4	-62.8	171.9	-173.3	166.7	0	109	V39 K71 Q72 F204 K205	K37-V39 PolarHBondContact O-N 2.75Å; K37-K71 HydrophobicContact CB-CB 4.3Å; K37-Q72 CarbonylContact C-O 3.54Å; K37-Q72 WeakPolarHBondContact CA-O 3.33Å; K37-F204 CarbonylContact O-C 3.53Å; K37-F204 WeakPolarHBondContact O-CA 3.22Å; K37-K205 PolarHBondContact N-O 3.47Å; K37-K205 PolarHBondContact O-N 3Å
38	F	97.6	Very high	94.1	Very high	23 Å²	23	46.3 Å²	46.3	10%	0.101	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.4	173.6	-177.5	-129	0	0	0	109.1	G40 K71 Q72 V74 L166 L167 N202 V203 F204	F38-G40 VanDerWaalsContact CE2-C 3.42Å; F38-G40 WeakPolarHBondContact CE2-O 3.28Å; F38-K71 CarbonylContact O-C 3.5Å; F38-K71 VanDerWaalsContact O-CA 3.23Å; F38-K71 WeakPolarHBondContact O-CA 3.43Å; F38-K71 WeakPolarHBondContact O-CB 3.44Å; F38-Q72 PolarHBondContact N-O 2.95Å; F38-Q72 PolarHBondContact O-N 2.76Å; F38-Q72 VanDerWaalsContact O-N 3.14Å; F38-V74 HydrophobicContact CB-CG1 3.89Å; F38-V74 HydrophobicContact CB-CG2 4.22Å; F38-L166 HydrophobicContact CD1-CD2 3.64Å; F38-L166 HydrophobicContact CE1-CD2 3.86Å; F38-L166 HydrophobicContact CG-CD2 4.17Å; F38-L167 HydrophobicContact CE2-CD1 4.25Å; F38-L167 HydrophobicContact CZ-CD1 4.14Å; F38-N202 HydrophobicContact CE2-CB 4.25Å; F38-V203 WeakPolarHBondContact CD2-O 3.44Å; F38-F204 HydrophobicContact CB-CD1 4.22Å; F38-F204 HydrophobicContact CB-CE1 4.17Å; F38-F204 AromaticContact CD2-CD1 3.92Å; F38-F204 HydrophobicContact CD2-CD1 3.92Å; F38-F204 AromaticContact CD2-CE1 3.48Å; F38-F204 HydrophobicContact CD2-CE1 3.48Å; F38-F204 VanDerWaalsContact CD2-CE1 3.48Å; F38-F204 HydrophobicContact CD2-CE2 4.43Å; F38-F204 AromaticContact CD2-CZ 3.76Å; F38-F204 HydrophobicContact CD2-CZ 3.76Å; F38-F204 HydrophobicContact CE2-CE1 4.28Å; F38-F204 HydrophobicContact CE2-CZ 4.1Å; F38-F204 HydrophobicContact CG-CE1 4.22Å
39	V	97.3	Very high	94	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-46.4	178.1	-177.9	0	0	0	0	109.8	K37 F64 K71 I186 V203 K205	K37-V39 PolarHBondContact O-N 2.75Å; V39-F64 HydrophobicContact CG1-CB 4.4Å; V39-F64 WeakPolarHBondContact O-CD1 3.35Å; V39-F64 WeakPolarHBondContact O-CG 3.3Å; V39-K71 HydrophobicContact CB-CD 4.49Å; V39-K71 HydrophobicContact CG1-CD 4.42Å; V39-K71 HydrophobicContact CG2-CD 4.07Å; V39-I186 HydrophobicContact CG2-CD1 4.4Å; V39-V203 HydrophobicContact CB-CB 4.22Å; V39-V203 HydrophobicContact CB-CG1 4.19Å; V39-V203 VanDerWaalsContact CB-O 3.29Å; V39-V203 WeakPolarHBondContact CB-O 3.26Å; V39-V203 HydrophobicContact CG2-CG1 4.09Å; V39-V203 PolarHBondContact N-O 2.94Å; V39-K205 HydrophobicContact CG2-CB 4.41Å
40	G	96.7	Very high	94	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.3	169.3	-170.3	0	0	0	0	0	109.5	F38 F64 V203	F38-G40 VanDerWaalsContact CE2-C 3.42Å; F38-G40 WeakPolarHBondContact CE2-O 3.28Å; G40-F64 VanDerWaalsContact CA-CE1 3.45Å; G40-V203 PolarHBondContact O-N 3.45Å
41	G	95.9	Very high	94.2	Very high	15 Å²	15	50.1 Å²	50.1	16%	0.155	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151	171.3	0	0	0	0	0	109.5	C201	G41-C201 CarbonylContact C-O 3.43Å; G41-C201 WeakPolarHBondContact CA-O 3.42Å
42	M	95.2	Very high	94.2	Very high	42 Å²	42	54 Å²	54	21%	0.207	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.3	-176.3	-168.5	-177.3	77.4	0	0	109.1	I44 R59 I60 C201	M42-I44 HydrophobicContact CE-CG2 4.06Å; M42-R59 HydrophobicContact CE-CG 4.37Å; M42-I60 HydrophobicContact CB-CD1 3.76Å; M42-I60 HydrophobicContact CB-CG1 3.63Å; M42-I60 HydrophobicContact CE-CG1 4.19Å; M42-I60 HydrophobicContact SD-CG1 4.35Å; M42-C201 PolarHBondContact N-O 3.42Å; M42-C201 PolarHBondContact O-N 3.31Å
43	D	95.6	Very high	94.2	Very high	92 Å²	92	54 Å²	54	49%	0.492	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.5	174.2	-59	-30.9	0	0	0	109.4	V198 R200	D43-V198 HydrophobicContact CB-CG1 3.7Å; D43-R200 WeakPolarHBondContact OD1-CB 3.4Å; D43-R200 WeakPolarHBondContact OD1-CD 3.4Å; D43-R200 VanDerWaalsContact OD1-CG 3.28Å; D43-R200 WeakPolarHBondContact OD1-CG 3.5Å
44	I	94.4	Very high	94.2	Very high	15 Å²	15	54.1 Å²	54.1	8%	0.077	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.5	-171.5	57.7	160.5	0	0	0	110.2	M42 P47 I190 F199 C201	M42-I44 HydrophobicContact CE-CG2 4.06Å; I44-P47 HydrophobicContact CD1-CG 4.48Å; I44-I190 HydrophobicContact CD1-CD1 3.8Å; I44-I190 HydrophobicContact CD1-CG1 4.22Å; I44-I190 HydrophobicContact CD1-CG2 4.09Å; I44-F199 HydrophobicContact CD1-CB 4.46Å; I44-F199 HydrophobicContact CG1-CB 3.96Å; I44-F199 WeakPolarHBondContact CG1-O 3.46Å; I44-F199 PolarHBondContact N-O 2.78Å; I44-C201 HydrophobicContact CD1-CB 4.05Å; I44-C201 HydrophobicContact CG1-CB 4.39Å; I44-C201 HydrophobicContact CG2-CB 4.25Å
45	P	93.1	Very high	94.2	Very high	106 Å²	106	57.1 Å²	57.1	69%	0.688	29%	0.291	S	S	*	.			trans	-57.8	158.1	164.4	27.5	-35.9	0	0	0	110.5	P47	P45-P47 VanDerWaalsContact O-CD 3.24Å; P45-P47 WeakPolarHBondContact O-CD 3.41Å; P45-P47 VanDerWaalsContact O-N 3.09Å
46	R	92.3	Very high	94.2	Very high	132 Å²	132	56.7 Å²	56.7	50%	0.498	29%	0.289	S	S	.	.			trans	-59.1	113.1	174.6	178.6	178.6	-179.6	-79.4	8	109	Q48 F199	R46-Q48 PolarHBondContact O-N 2.76Å; R46-F199 HydrophobicContact CB-CD2 3.76Å; R46-F199 HydrophobicContact CB-CE2 3.61Å; R46-F199 HydrophobicContact CB-CZ 4.29Å; R46-F199 HydrophobicContact CG-CD2 4.13Å; R46-F199 HydrophobicContact CG-CE1 4.43Å; R46-F199 HydrophobicContact CG-CE2 3.58Å; R46-F199 HydrophobicContact CG-CZ 3.76Å
47	P	91	Very high	94.2	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.039	29%	0.289	C	S	.	.			trans	-70.6	132.4	-175.7	29.3	-35.1	0	0	0	110.6	I44 P45 E52 I53 F175 I190	I44-P47 HydrophobicContact CD1-CG 4.48Å; P45-P47 VanDerWaalsContact O-CD 3.24Å; P45-P47 WeakPolarHBondContact O-CD 3.41Å; P45-P47 VanDerWaalsContact O-N 3.09Å; P47-E52 VanDerWaalsContact CA-OE2 3.31Å; P47-E52 WeakPolarHBondContact CA-OE2 3.45Å; P47-I53 HydrophobicContact CB-CD1 4.06Å; P47-I53 HydrophobicContact CB-CG1 3.56Å; P47-I53 HydrophobicContact CG-CD1 4.27Å; P47-I53 HydrophobicContact CG-CG1 4.09Å; P47-F175 HydrophobicContact CG-CD1 4.07Å; P47-F175 HydrophobicContact CG-CE1 3.88Å; P47-I190 HydrophobicContact CG-CD1 4.08Å
48	Q	91.2	Very high	94.1	Very high	141 Å²	141	55.3 Å²	55.3	66%	0.659	28%	0.281	S	S	*	.			trans	-100.2	-29.7	174.9	-52.7	-66.3	3.1	0	0	111.4	R46 E52	R46-Q48 PolarHBondContact O-N 2.76Å; Q48-E52 PolarHBondContact N-OE2 3.27Å
49	N	92.4	Very high	94.1	Very high	81 Å²	81	61.1 Å²	61.1	43%	0.433	30%	0.303	S	S	.	.	S	Bend	trans	-131.5	146.7	-175.4	-169.6	-30.3	0	0	0	112.4	L51 E52 I53	N49-L51 PolarHBondContact O-N 3.48Å; N49-L51 VanDerWaalsContact O-N 3.14Å; N49-L51 PolarHBondContact OD1-N 3.33Å; N49-E52 HydrophobicContact CB-CG 4.43Å; N49-E52 PolarHBondContact N-OE2 2.64Å; N49-E52 WeakPolarHBondContact O-CB 3.02Å; N49-E52 PolarHBondContact O-N 3.16Å; N49-I53 PolarHBondContact O-N 3.01Å
50	R	88.9	Confident	94.1	Very high	117 Å²	117	61 Å²	61	44%	0.442	30%	0.302	S	S	.	.	H	α-helix	trans	-49.8	-33.7	170.2	-173.6	178.3	-179.3	-169.7	-1	112.8	I53 V54	R50-I53 PolarHBondContact O-N 3.25Å; R50-V54 WeakPolarHBondContact O-CG2 3.37Å; R50-V54 PolarHBondContact O-N 3.11Å
51	L	91.7	Very high	94	Very high	130 Å²	130	63 Å²	63	68%	0.681	31%	0.31	S	S	*	.	H	α-helix	trans	-61.6	-42.7	175.7	-68.1	177.1	0	0	0	112.7	N49 I53 V54 S55	N49-L51 PolarHBondContact O-N 3.48Å; N49-L51 VanDerWaalsContact O-N 3.14Å; N49-L51 PolarHBondContact OD1-N 3.33Å; L51-I53 VanDerWaalsContact C-N 3.34Å; L51-I53 PolarHBondContact O-N 3.17Å; L51-V54 PolarHBondContact O-N 2.74Å; L51-S55 VanDerWaalsContact O-CB 3.3Å; L51-S55 WeakPolarHBondContact O-CB 3.18Å; L51-S55 PolarHBondContact O-N 2.74Å
52	E	93.8	Very high	94.1	Very high	82 Å²	82	68.6 Å²	68.6	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-37.8	178.4	-61.1	169.3	171.7	0	0	111.6	P47 Q48 N49 S55 S56	P47-E52 VanDerWaalsContact CA-OE2 3.31Å; P47-E52 WeakPolarHBondContact CA-OE2 3.45Å; Q48-E52 PolarHBondContact N-OE2 3.27Å; N49-E52 HydrophobicContact CB-CG 4.43Å; N49-E52 PolarHBondContact N-OE2 2.64Å; N49-E52 WeakPolarHBondContact O-CB 3.02Å; N49-E52 PolarHBondContact O-N 3.16Å; E52-S55 PolarHBondContact O-N 3.18Å; E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3.24Å; E52-S56 PolarHBondContact O-OG 2.85Å; E52-S56 VanDerWaalsContact O-OG 3.1Å
53	I	93.5	Very high	94.1	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-47.4	176.5	-62.6	176.2	0	0	0	110.5	P47 N49 R50 L51 S56 M57 Y176 I190	P47-I53 HydrophobicContact CB-CD1 4.06Å; P47-I53 HydrophobicContact CB-CG1 3.56Å; P47-I53 HydrophobicContact CG-CD1 4.27Å; P47-I53 HydrophobicContact CG-CG1 4.09Å; N49-I53 PolarHBondContact O-N 3.01Å; R50-I53 PolarHBondContact O-N 3.25Å; L51-I53 VanDerWaalsContact C-N 3.34Å; L51-I53 PolarHBondContact O-N 3.17Å; I53-S56 PolarHBondContact O-N 3.33Å; I53-M57 WeakPolarHBondContact O-CB 3.45Å; I53-M57 PolarHBondContact O-N 3.02Å; I53-Y176 HydrophobicContact CD1-CD1 3.55Å; I53-Y176 HydrophobicContact CD1-CD2 4.31Å; I53-Y176 HydrophobicContact CD1-CE1 3.66Å; I53-Y176 HydrophobicContact CD1-CE2 4.43Å; I53-Y176 HydrophobicContact CD1-CG 3.87Å; I53-Y176 HydrophobicContact CG2-CD1 3.81Å; I53-Y176 HydrophobicContact CG2-CE1 3.77Å; I53-I190 HydrophobicContact CB-CD1 4.32Å; I53-I190 HydrophobicContact CD1-CD1 4.2Å; I53-I190 HydrophobicContact CG1-CD1 3.83Å; I53-I190 HydrophobicContact CG2-CD1 3.84Å
54	V	94.3	Very high	94.2	Very high	24 Å²	24	65.7 Å²	65.7	15%	0.145	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-40.5	176.3	172	0	0	0	0	111.1	R50 L51 M57 R58	R50-V54 WeakPolarHBondContact O-CG2 3.37Å; R50-V54 PolarHBondContact O-N 3.11Å; L51-V54 PolarHBondContact O-N 2.74Å; V54-M57 PolarHBondContact O-N 3.16Å; V54-R58 WeakPolarHBondContact O-CB 3.36Å; V54-R58 VanDerWaalsContact O-CG 3.31Å; V54-R58 WeakPolarHBondContact O-CG 3.27Å; V54-R58 PolarHBondContact O-N 3.41Å
55	S	94.8	Very high	94.2	Very high	77 Å²	77	72.6 Å²	72.6	54%	0.538	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-49.2	175.3	-175.5	0	0	0	0	111.8	L51 E52 M57 R58 R59	L51-S55 VanDerWaalsContact O-CB 3.3Å; L51-S55 WeakPolarHBondContact O-CB 3.18Å; L51-S55 PolarHBondContact O-N 2.74Å; E52-S55 PolarHBondContact O-N 3.18Å; S55-M57 PolarHBondContact O-N 3.38Å; S55-R58 PolarHBondContact O-N 2.86Å; S55-R59 WeakPolarHBondContact O-CB 3.25Å; S55-R59 PolarHBondContact O-N 2.86Å
56	S	95.7	Very high	94.4	Very high	19 Å²	19	75.3 Å²	75.3	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-46.3	175.7	-72.9	0	0	0	0	112.7	E52 I53 R58 R59 I60	E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3.24Å; E52-S56 PolarHBondContact O-OG 2.85Å; E52-S56 VanDerWaalsContact O-OG 3.1Å; I53-S56 PolarHBondContact O-N 3.33Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 2.81Å; S56-R59 PolarHBondContact O-N 3.44Å; S56-I60 VanDerWaalsContact O-CG1 3.29Å; S56-I60 WeakPolarHBondContact O-CG1 3.37Å; S56-I60 PolarHBondContact O-N 2.96Å
57	M	95.8	Very high	94.6	Very high	0 Å²	0	75 Å²	75	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-42.9	176.5	-168.4	-158.2	-65	0	0	111.2	I53 V54 S55 R61 D180 I186 S188 V203	I53-M57 WeakPolarHBondContact O-CB 3.45Å; I53-M57 PolarHBondContact O-N 3.02Å; V54-M57 PolarHBondContact O-N 3.16Å; S55-M57 PolarHBondContact O-N 3.38Å; M57-R61 VanDerWaalsContact O-CG 3.28Å; M57-R61 WeakPolarHBondContact O-CG 3.45Å; M57-R61 PolarHBondContact O-N 3.13Å; M57-R61 VanDerWaalsContact O-N 3.12Å; M57-D180 HydrophobicContact SD-CB 3.68Å; M57-I186 HydrophobicContact CG-CG2 4.33Å; M57-I186 HydrophobicContact SD-CG2 3.69Å; M57-S188 VanDerWaalsContact CE-OG 3.29Å; M57-S188 WeakPolarHBondContact CE-OG 3.38Å; M57-V203 HydrophobicContact CG-CG1 3.96Å; M57-V203 HydrophobicContact CG-CG2 3.92Å
58	R	95.7	Very high	94.7	Very high	48 Å²	48	77.2 Å²	77.2	18%	0.181	37%	0.369	C	S	.	.	H	α-helix	trans	-69.5	-44.3	177.7	-72.9	176.5	-173.4	162.5	7.3	112.4	V54 S55 S56 I60 R61 Y62 D180 Q182	V54-R58 WeakPolarHBondContact O-CB 3.36Å; V54-R58 VanDerWaalsContact O-CG 3.31Å; V54-R58 WeakPolarHBondContact O-CG 3.27Å; V54-R58 PolarHBondContact O-N 3.41Å; S55-R58 PolarHBondContact O-N 2.86Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 2.81Å; R58-I60 VanDerWaalsContact C-N 3.32Å; R58-I60 PolarHBondContact O-N 3.35Å; R58-R61 WeakPolarHBondContact O-CA 3.31Å; R58-R61 WeakPolarHBondContact O-CB 3.28Å; R58-R61 PolarHBondContact O-N 3.01Å; R58-Y62 HydrophobicContact CB-CD2 4.41Å; R58-Y62 HydrophobicContact CB-CE2 3.97Å; R58-Y62 WeakPolarHBondContact O-CD2 3.23Å; R58-Y62 PolarHBondContact O-N 2.96Å; R58-D180 WeakPolarHBondContact CG-OD2 3.48Å; R58-D180 IonicContact CZ-OD1 3.22Å; R58-D180 IonicContact NE-OD1 3.47Å; R58-D180 PolarHBondContact NE-OD1 2.96Å; R58-D180 IonicContact NE-OD2 2.73Å; R58-D180 PolarHBondContact NE-OD2 3.42Å; R58-D180 VanDerWaalsContact NE-OD2 3.13Å; R58-D180 IonicContact NH2-OD1 3.64Å; R58-D180 PolarHBondContact NH2-OD1 2.97Å; R58-Q182 VanDerWaalsContact CZ-CD 3.43Å; R58-Q182 VanDerWaalsContact NH2-CD 3.26Å
59	R	96.5	Very high	94.9	Very high	145 Å²	145	74.1 Å²	74.1	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-53.3	-47.6	173.8	179.6	171.2	170.3	168.1	1.1	111.6	M42 S55 S56 R61 Y62 E63	M42-R59 HydrophobicContact CE-CG 4.37Å; S55-R59 WeakPolarHBondContact O-CB 3.25Å; S55-R59 PolarHBondContact O-N 2.86Å; S56-R59 PolarHBondContact O-N 3.44Å; R59-R61 PolarHBondContact O-N 2.9Å; R59-Y62 PolarHBondContact O-N 3.12Å; R59-Y62 VanDerWaalsContact O-N 3.13Å; R59-E63 HydrophobicContact CG-CG 4.34Å; R59-E63 IonicContact CZ-OE1 2.76Å; R59-E63 IonicContact NE-OE1 3.2Å; R59-E63 PolarHBondContact NE-OE1 2.87Å; R59-E63 IonicContact NH2-OE1 3.24Å; R59-E63 PolarHBondContact NH2-OE1 3.28Å; R59-E63 VanDerWaalsContact NH2-OE1 3.16Å; R59-E63 PolarHBondContact O-N 3.25Å
60	I	97.1	Very high	95	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-40.3	175.6	-63.9	164.4	0	0	0	111.6	M42 S56 R58 Y62 F64 C201 V203	M42-I60 HydrophobicContact CB-CD1 3.76Å; M42-I60 HydrophobicContact CB-CG1 3.63Å; M42-I60 HydrophobicContact CE-CG1 4.19Å; M42-I60 HydrophobicContact SD-CG1 4.35Å; S56-I60 VanDerWaalsContact O-CG1 3.29Å; S56-I60 WeakPolarHBondContact O-CG1 3.37Å; S56-I60 PolarHBondContact O-N 2.96Å; R58-I60 VanDerWaalsContact C-N 3.32Å; R58-I60 PolarHBondContact O-N 3.35Å; I60-Y62 VanDerWaalsContact C-N 3.3Å; I60-Y62 PolarHBondContact O-N 3.45Å; I60-F64 HydrophobicContact CG2-CD2 3.96Å; I60-F64 HydrophobicContact CG2-CE2 4.14Å; I60-F64 WeakPolarHBondContact O-CB 3.47Å; I60-F64 WeakPolarHBondContact O-CD2 3.26Å; I60-F64 PolarHBondContact O-N 2.97Å; I60-C201 HydrophobicContact CD1-CB 3.7Å; I60-V203 HydrophobicContact CB-CG2 3.91Å; I60-V203 HydrophobicContact CD1-CG2 3.83Å; I60-V203 HydrophobicContact CG1-CG2 4.49Å; I60-V203 HydrophobicContact CG2-CB 4.03Å; I60-V203 HydrophobicContact CG2-CG2 3.72Å
61	R	96.4	Very high	95.3	Very high	43 Å²	43	77.7 Å²	77.7	16%	0.162	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-37	174.8	-67.6	164.4	79.6	-149.5	-5.6	112.1	M57 R58 R59 K65 D180 D183 V203	M57-R61 VanDerWaalsContact O-CG 3.28Å; M57-R61 WeakPolarHBondContact O-CG 3.45Å; M57-R61 PolarHBondContact O-N 3.13Å; M57-R61 VanDerWaalsContact O-N 3.12Å; R58-R61 WeakPolarHBondContact O-CA 3.31Å; R58-R61 WeakPolarHBondContact O-CB 3.28Å; R58-R61 PolarHBondContact O-N 3.01Å; R59-R61 PolarHBondContact O-N 2.9Å; R61-K65 VanDerWaalsContact O-CB 3.27Å; R61-K65 WeakPolarHBondContact O-CB 3.39Å; R61-K65 PolarHBondContact O-N 3.1Å; R61-D180 IonicContact CZ-OD2 2.61Å; R61-D180 IonicContact NH1-OD2 3.42Å; R61-D180 PolarHBondContact NH1-OD2 3.17Å; R61-D183 IonicContact CZ-OD2 2.57Å; R61-D183 IonicContact NH2-OD2 3.25Å; R61-D183 PolarHBondContact NH2-OD2 2.91Å; R61-V203 HydrophobicContact CG-CG1 4.12Å
62	Y	96.6	Very high	95.5	Very high	133 Å²	133	75.6 Å²	75.6	52%	0.522	36%	0.358	S	S	.	.	H	α-helix	trans	-78.3	-52.7	-179.6	-64.6	-57.2	0	0	0	112.1	R58 R59 I60 F64 K65 E66	R58-Y62 HydrophobicContact CB-CD2 4.41Å; R58-Y62 HydrophobicContact CB-CE2 3.97Å; R58-Y62 WeakPolarHBondContact O-CD2 3.23Å; R58-Y62 PolarHBondContact O-N 2.96Å; R59-Y62 PolarHBondContact O-N 3.12Å; R59-Y62 VanDerWaalsContact O-N 3.13Å; I60-Y62 VanDerWaalsContact C-N 3.3Å; I60-Y62 PolarHBondContact O-N 3.45Å; Y62-F64 VanDerWaalsContact C-N 3.33Å; Y62-F64 PolarHBondContact O-N 3.47Å; Y62-K65 WeakPolarHBondContact O-CA 3.33Å; Y62-K65 WeakPolarHBondContact O-CB 3.34Å; Y62-K65 PolarHBondContact O-N 3.03Å; Y62-E66 WeakPolarHBondContact O-CB 3.22Å; Y62-E66 PolarHBondContact O-N 3.16Å
63	E	96.5	Very high	95.6	Very high	34 Å²	34	76.2 Å²	76.2	16%	0.159	36%	0.359	C	S	.	.	H	α-helix	trans	-56.6	-44.2	-178.7	-73.2	-166.3	-148.8	0	0	112.2	R59 K65 E66 K67	R59-E63 HydrophobicContact CG-CG 4.34Å; R59-E63 IonicContact CZ-OE1 2.76Å; R59-E63 IonicContact NE-OE1 3.2Å; R59-E63 PolarHBondContact NE-OE1 2.87Å; R59-E63 IonicContact NH2-OE1 3.24Å; R59-E63 PolarHBondContact NH2-OE1 3.28Å; R59-E63 VanDerWaalsContact NH2-OE1 3.16Å; R59-E63 PolarHBondContact O-N 3.25Å; E63-K65 VanDerWaalsContact C-N 3.31Å; E63-K65 PolarHBondContact O-N 3.23Å; E63-E66 PolarHBondContact O-N 3.19Å; E63-K67 HydrophobicContact CB-CD 4.48Å; E63-K67 VanDerWaalsContact O-CB 3.25Å; E63-K67 WeakPolarHBondContact O-CB 3.39Å; E63-K67 WeakPolarHBondContact O-CD 3.35Å; E63-K67 WeakPolarHBondContact O-CG 3.45Å; E63-K67 PolarHBondContact O-N 3.06Å; E63-K67 IonicContact OE2-NZ 2.7Å; E63-K67 PolarHBondContact OE2-NZ 2.79Å
64	F	96.6	Very high	95.7	Very high	39 Å²	39	75.9 Å²	75.9	17%	0.171	36%	0.358	C	S	.	.	H	α-helix	trans	-73	-22.4	178.6	-78.6	-105.2	0	0	0	113.1	V39 G40 I60 Y62 I69	V39-F64 HydrophobicContact CG1-CB 4.4Å; V39-F64 WeakPolarHBondContact O-CD1 3.35Å; V39-F64 WeakPolarHBondContact O-CG 3.3Å; G40-F64 VanDerWaalsContact CA-CE1 3.45Å; I60-F64 HydrophobicContact CG2-CD2 3.96Å; I60-F64 HydrophobicContact CG2-CE2 4.14Å; I60-F64 WeakPolarHBondContact O-CB 3.47Å; I60-F64 WeakPolarHBondContact O-CD2 3.26Å; I60-F64 PolarHBondContact O-N 2.97Å; Y62-F64 VanDerWaalsContact C-N 3.33Å; Y62-F64 PolarHBondContact O-N 3.47Å; F64-I69 HydrophobicContact CD1-CB 4.03Å; F64-I69 HydrophobicContact CD1-CD1 3.68Å; F64-I69 HydrophobicContact CD1-CG1 4.43Å; F64-I69 HydrophobicContact CD1-CG2 3.97Å; F64-I69 HydrophobicContact CE1-CD1 3.93Å; F64-I69 HydrophobicContact CG-CD1 4.4Å; F64-I69 PolarHBondContact O-N 3.08Å
65	K	95.4	Very high	95.7	Very high	160 Å²	160	74.8 Å²	74.8	70%	0.696	35%	0.351	S	S	*	.	H	α-helix	trans	-75.2	-44.5	172	177.8	-165.3	173.3	-162.6	0	110.7	R61 Y62 E63 G68	R61-K65 VanDerWaalsContact O-CB 3.27Å; R61-K65 WeakPolarHBondContact O-CB 3.39Å; R61-K65 PolarHBondContact O-N 3.1Å; Y62-K65 WeakPolarHBondContact O-CA 3.33Å; Y62-K65 WeakPolarHBondContact O-CB 3.34Å; Y62-K65 PolarHBondContact O-N 3.03Å; E63-K65 VanDerWaalsContact C-N 3.31Å; E63-K65 PolarHBondContact O-N 3.23Å; K65-G68 PolarHBondContact O-N 2.87Å
66	E	96.2	Very high	95.8	Very high	162 Å²	162	71.2 Å²	71.2	76%	0.757	33%	0.326	S	S	*	.	H	α-helix	trans	-66.1	-48.5	179.2	179.1	177.2	-148.7	0	0	111.8	Y62 E63 G68	Y62-E66 WeakPolarHBondContact O-CB 3.22Å; Y62-E66 PolarHBondContact O-N 3.16Å; E63-E66 PolarHBondContact O-N 3.19Å; E66-G68 PolarHBondContact O-N 3.43Å
67	K	96.3	Very high	95.8	Very high	125 Å²	125	72.5 Å²	72.5	54%	0.543	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	1.6	173	-65.2	163.8	-177.3	171.5	0	113.3	E63 I69	E63-K67 HydrophobicContact CB-CD 4.48Å; E63-K67 VanDerWaalsContact O-CB 3.25Å; E63-K67 WeakPolarHBondContact O-CB 3.39Å; E63-K67 WeakPolarHBondContact O-CD 3.35Å; E63-K67 WeakPolarHBondContact O-CG 3.45Å; E63-K67 PolarHBondContact O-N 3.06Å; E63-K67 IonicContact OE2-NZ 2.7Å; E63-K67 PolarHBondContact OE2-NZ 2.79Å; K67-I69 HydrophobicContact CB-CD1 3.84Å; K67-I69 HydrophobicContact CB-CG1 3.86Å; K67-I69 HydrophobicContact CD-CD1 4.46Å; K67-I69 PolarHBondContact O-N 3.15Å; K67-I69 VanDerWaalsContact O-N 3.17Å
68	G	94.4	Very high	95.9	Very high	54 Å²	54	72.5 Å²	72.5	56%	0.557	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	14.4	176.7	0	0	0	0	0	114.9	K65 E66 K70	K65-G68 PolarHBondContact O-N 2.87Å; E66-G68 PolarHBondContact O-N 3.43Å; G68-K70 PolarHBondContact O-N 2.8Å
69	I	94.3	Very high	95.9	Very high	76 Å²	76	70.3 Å²	70.3	39%	0.39	32%	0.321	S	S	.	.			trans	-72.5	117.4	-168.5	-60.4	174.8	0	0	0	109.7	F64 K67 K71	F64-I69 HydrophobicContact CD1-CB 4.03Å; F64-I69 HydrophobicContact CD1-CD1 3.68Å; F64-I69 HydrophobicContact CD1-CG1 4.43Å; F64-I69 HydrophobicContact CD1-CG2 3.97Å; F64-I69 HydrophobicContact CE1-CD1 3.93Å; F64-I69 HydrophobicContact CG-CD1 4.4Å; F64-I69 PolarHBondContact O-N 3.08Å; K67-I69 HydrophobicContact CB-CD1 3.84Å; K67-I69 HydrophobicContact CB-CG1 3.86Å; K67-I69 HydrophobicContact CD-CD1 4.46Å; K67-I69 PolarHBondContact O-N 3.15Å; K67-I69 VanDerWaalsContact O-N 3.17Å; I69-K71 PolarHBondContact O-N 2.85Å
70	K	94.6	Very high	95.7	Very high	191 Å²	191	64.1 Å²	64.1	83%	0.83	30%	0.3	S	S	*	.			trans	-73	112.1	-177.1	-70.3	176.5	-177.8	169.7	0	110.5	G68 Q72	G68-K70 PolarHBondContact O-N 2.8Å; K70-Q72 PolarHBondContact O-N 3.49Å
71	K	95.9	Very high	95.6	Very high	82 Å²	82	68.6 Å²	68.6	36%	0.357	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-48.2	120.6	177.9	-54.7	-168.8	177.5	-152.1	0	111.6	K37 F38 V39 I69	K37-K71 HydrophobicContact CB-CB 4.3Å; F38-K71 CarbonylContact O-C 3.5Å; F38-K71 VanDerWaalsContact O-CA 3.23Å; F38-K71 WeakPolarHBondContact O-CA 3.43Å; F38-K71 WeakPolarHBondContact O-CB 3.44Å; V39-K71 HydrophobicContact CB-CD 4.49Å; V39-K71 HydrophobicContact CG1-CD 4.42Å; V39-K71 HydrophobicContact CG2-CD 4.07Å; I69-K71 PolarHBondContact O-N 2.85Å
72	Q	95.2	Very high	95.6	Very high	85 Å²	85	66.6 Å²	66.6	40%	0.397	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.2	-173.9	-64.4	170.8	-11.7	0	0	110.1	K37 F38 K70 V74 L87	K37-Q72 CarbonylContact C-O 3.54Å; K37-Q72 WeakPolarHBondContact CA-O 3.33Å; F38-Q72 PolarHBondContact N-O 2.95Å; F38-Q72 PolarHBondContact O-N 2.76Å; F38-Q72 VanDerWaalsContact O-N 3.14Å; K70-Q72 PolarHBondContact O-N 3.49Å; Q72-V74 PolarHBondContact O-N 3.34Å; Q72-L87 HydrophobicContact CB-CD2 4.16Å; Q72-L87 HydrophobicContact CG-CD2 4.47Å
73	K	95.3	Very high	95.6	Very high	96 Å²	96	60.4 Å²	60.4	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.7	169.4	-79.2	-166.8	170.7	-166.6	0	108.5	R88	K73-R88 HydrophobicContact CB-CB 3.99Å; K73-R88 PolarHBondContact O-N 3.47Å
74	V	95.7	Very high	95.6	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.3	179.2	-63.9	0	0	0	0	112.1	A36 F38 Q72 I76 I85 Y86 F204	A36-V74 HydrophobicContact CB-CG2 4.05Å; A36-V74 PolarHBondContact N-O 3.49Å; A36-V74 PolarHBondContact O-N 2.99Å; F38-V74 HydrophobicContact CB-CG1 3.89Å; F38-V74 HydrophobicContact CB-CG2 4.22Å; Q72-V74 PolarHBondContact O-N 3.34Å; V74-I76 HydrophobicContact CG2-CG1 4.28Å; V74-I85 HydrophobicContact CB-CG2 3.86Å; V74-I85 HydrophobicContact CG1-CG2 3.85Å; V74-I85 HydrophobicContact CG2-CG2 4.19Å; V74-Y86 CarbonylContact C-O 3.56Å; V74-Y86 WeakPolarHBondContact CA-O 3.29Å; V74-Y86 WeakPolarHBondContact CB-O 3.31Å; V74-F204 HydrophobicContact CG2-CD1 4.24Å; V74-F204 HydrophobicContact CG2-CE1 4.37Å
75	L	95.5	Very high	95.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.3	164.2	172	52.2	0	0	0	107.8	H33 F34 I85 Y86 R88 M156 C159 I160	H33-L75 HydrophobicContact CB-CD1 3.95Å; F34-L75 WeakPolarHBondContact O-CD1 3.38Å; L75-I85 WeakPolarHBondContact O-CA 3.25Å; L75-Y86 PolarHBondContact N-O 3.42Å; L75-Y86 PolarHBondContact O-N 3.17Å; L75-R88 HydrophobicContact CB-CG 4.09Å; L75-M156 HydrophobicContact CB-CE 4.45Å; L75-M156 HydrophobicContact CD1-CE 3.32Å; L75-M156 HydrophobicContact CD2-CB 4.16Å; L75-M156 HydrophobicContact CD2-CE 3.86Å; L75-M156 HydrophobicContact CG-CE 4.06Å; L75-C159 VanDerWaalsContact CD2-SG 3.57Å; L75-I160 HydrophobicContact CD2-CD1 4.09Å; L75-I160 HydrophobicContact CD2-CG1 3.74Å
76	I	96.4	Very high	95.6	Very high	3 Å²	3	52 Å²	52	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.7	174.2	-53.3	-179.9	0	0	0	107.4	H33 F34 A36 V74 I78 V83 F84 I85 F187 F204	H33-I76 CarbonylContact C-O 3.57Å; H33-I76 WeakPolarHBondContact CA-O 3.26Å; F34-I76 PolarHBondContact N-O 3.28Å; F34-I76 PolarHBondContact O-N 3.27Å; A36-I76 HydrophobicContact CB-CD1 3.77Å; A36-I76 HydrophobicContact CB-CG1 4.28Å; V74-I76 HydrophobicContact CG2-CG1 4.28Å; I76-I78 HydrophobicContact CG2-CG1 4.19Å; I76-V83 HydrophobicContact CG2-CG1 3.76Å; I76-F84 CarbonylContact C-O 3.57Å; I76-F84 WeakPolarHBondContact CA-O 3.44Å; I76-I85 HydrophobicContact CG1-CG1 4.16Å; I76-I85 HydrophobicContact CG2-CG1 4.39Å; I76-F187 HydrophobicContact CD1-CE2 3.98Å; I76-F187 HydrophobicContact CD1-CZ 3.66Å; I76-F204 HydrophobicContact CD1-CD1 3.82Å; I76-F204 HydrophobicContact CD1-CE1 4.05Å; I76-F204 HydrophobicContact CD1-CG 4.26Å
77	K	96.1	Very high	95.5	Very high	46 Å²	46	46.6 Å²	46.6	20%	0.2	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.1	167.8	-177.7	-177.2	-175.7	177.8	0	108.5	Q30 I32 V83 F84 Y86	Q30-K77 WeakPolarHBondContact O-CE 3.32Å; Q30-K77 PolarHBondContact O-NZ 2.67Å; I32-K77 WeakPolarHBondContact O-CA 3.41Å; K77-V83 WeakPolarHBondContact O-CA 3.21Å; K77-F84 HydrophobicContact CB-CB 4.26Å; K77-F84 PolarHBondContact N-O 3.02Å; K77-F84 PolarHBondContact O-N 3.25Å; K77-Y86 HydrophobicContact CB-CE2 4.2Å
78	I	96.8	Very high	95.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.4	175.6	-54.9	168.4	0	0	0	107.6	F28 G31 I32 F34 I76 V83 I215 T218 V219 A222	F28-I78 HydrophobicContact CE1-CG2 4.44Å; G31-I78 CarbonylContact C-O 3.58Å; G31-I78 VanDerWaalsContact CA-O 3.25Å; G31-I78 WeakPolarHBondContact CA-O 3.27Å; I32-I78 PolarHBondContact N-O 3.13Å; I32-I78 PolarHBondContact O-N 2.78Å; F34-I78 HydrophobicContact CD2-CD1 4.01Å; F34-I78 HydrophobicContact CE2-CD1 3.9Å; I76-I78 HydrophobicContact CG2-CG1 4.19Å; I78-V83 HydrophobicContact CG1-CG2 4.35Å; I78-V83 HydrophobicContact CG2-CG2 4.47Å; I78-I215 HydrophobicContact CD1-CG2 4.38Å; I78-T218 HydrophobicContact CB-CG2 4.33Å; I78-T218 HydrophobicContact CD1-CG2 3.92Å; I78-T218 HydrophobicContact CG2-CG2 4.23Å; I78-V219 HydrophobicContact CD1-CG2 3.59Å; I78-V219 HydrophobicContact CG1-CG2 4.26Å; I78-A222 HydrophobicContact CG2-CB 3.83Å
79	S	95.9	Very high	94.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	22%	0.217	C	C	.	.			trans	-121.7	177.8	171.3	64.5	0	0	0	0	110.4	F28 D81 G82	F28-S79 WeakPolarHBondContact O-CA 3.44Å; F28-S79 VanDerWaalsContact O-CB 3.23Å; F28-S79 WeakPolarHBondContact O-CB 3.38Å; S79-D81 VanDerWaalsContact CB-OD2 3.31Å; S79-D81 WeakPolarHBondContact CB-OD2 3.39Å; S79-D81 PolarHBondContact O-N 2.7Å; S79-D81 PolarHBondContact OG-N 3.13Å; S79-D81 PolarHBondContact OG-OD2 2.87Å; S79-G82 PolarHBondContact N-O 3.05Å; S79-G82 PolarHBondContact O-N 3.34Å
80	A	93.1	Very high	92.8	Very high	15 Å²	15	51.2 Å²	51.2	12%	0.124	23%	0.232	C	C	.	.	S	Bend	trans	-61.5	-24.5	171.5	0	0	0	0	0	112.9	F28 I171 V225 C226 I229	F28-A80 HydrophobicContact CB-CB 4.32Å; F28-A80 PolarHBondContact O-N 2.86Å; F28-A80 VanDerWaalsContact O-N 3.13Å; A80-I171 WeakPolarHBondContact O-CG1 3.39Å; A80-V225 HydrophobicContact CB-CG1 3.86Å; A80-C226 PolarHBondContact O-SG 3.42Å; A80-C226 VanDerWaalsContact O-SG 3.36Å; A80-I229 HydrophobicContact CB-CD1 3.94Å
81	D	93.9	Very high	90.8	Very high	95 Å²	95	47.6 Å²	47.6	51%	0.508	23%	0.228	S	C	.	.	S	Bend	trans	-74.9	-47	178.3	-32	-83	0	0	0	111.5	S79 P170 I171	S79-D81 VanDerWaalsContact CB-OD2 3.31Å; S79-D81 WeakPolarHBondContact CB-OD2 3.39Å; S79-D81 PolarHBondContact O-N 2.7Å; S79-D81 PolarHBondContact OG-N 3.13Å; S79-D81 PolarHBondContact OG-OD2 2.87Å; D81-P170 CarbonylContact O-C 3.59Å; D81-P170 WeakPolarHBondContact O-CA 3.39Å; D81-I171 PolarHBondContact O-N 3.4Å
82	G	96	Very high	88.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-176	-174.1	0	0	0	0	0	116.4	S79 H169	S79-G82 PolarHBondContact N-O 3.05Å; S79-G82 PolarHBondContact O-N 3.34Å; G82-H169 CarbonylContact C-O 3.55Å; G82-H169 VanDerWaalsContact CA-O 3.26Å; G82-H169 WeakPolarHBondContact CA-O 3.21Å
83	V	97.4	Very high	85.7	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.9	173.2	-180	0	0	0	0	109	I76 K77 I78 I85 Y168 H169 I171 I174 Y189 V219	I76-V83 HydrophobicContact CG2-CG1 3.76Å; K77-V83 WeakPolarHBondContact O-CA 3.21Å; I78-V83 HydrophobicContact CG1-CG2 4.35Å; I78-V83 HydrophobicContact CG2-CG2 4.47Å; V83-I85 HydrophobicContact CG1-CD1 4.28Å; V83-I85 HydrophobicContact CG1-CG1 4.47Å; V83-Y168 WeakPolarHBondContact O-CA 3.44Å; V83-H169 PolarHBondContact N-O 2.83Å; V83-H169 PolarHBondContact O-N 2.85Å; V83-I171 HydrophobicContact CG2-CD1 4.17Å; V83-I174 HydrophobicContact CB-CD1 4.01Å; V83-I174 HydrophobicContact CG2-CD1 3.48Å; V83-I174 VanDerWaalsContact CG2-CD1 3.48Å; V83-Y189 HydrophobicContact CG1-CE1 4.33Å; V83-V219 HydrophobicContact CG2-CG2 4.29Å
84	F	97	Very high	83	Confident	38 Å²	38	56.1 Å²	56.1	17%	0.167	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.4	177.9	-53.4	-108.1	0	0	0	109.5	I76 K77 Y86 L165 Y168	I76-F84 CarbonylContact C-O 3.57Å; I76-F84 WeakPolarHBondContact CA-O 3.44Å; K77-F84 HydrophobicContact CB-CB 4.26Å; K77-F84 PolarHBondContact N-O 3.02Å; K77-F84 PolarHBondContact O-N 3.25Å; F84-Y86 HydrophobicContact CB-CD2 4.43Å; F84-Y86 HydrophobicContact CB-CE2 3.61Å; F84-L165 HydrophobicContact CB-CD1 4.01Å; F84-L165 HydrophobicContact CD1-CD1 4.26Å; F84-Y168 AromaticContact CD1-CD2 3.44Å; F84-Y168 HydrophobicContact CD1-CD2 3.44Å; F84-Y168 VanDerWaalsContact CD1-CD2 3.44Å; F84-Y168 AromaticContact CD1-CE2 3.95Å; F84-Y168 HydrophobicContact CD1-CE2 3.95Å; F84-Y168 HydrophobicContact CD1-CG 4.11Å; F84-Y168 HydrophobicContact CD2-CD2 4.12Å; F84-Y168 HydrophobicContact CD2-CE2 4.21Å; F84-Y168 AromaticContact CE1-CD2 3.42Å; F84-Y168 HydrophobicContact CE1-CD2 3.42Å; F84-Y168 VanDerWaalsContact CE1-CD2 3.42Å; F84-Y168 AromaticContact CE1-CE2 3.46Å; F84-Y168 HydrophobicContact CE1-CE2 3.46Å; F84-Y168 VanDerWaalsContact CE1-CE2 3.46Å; F84-Y168 HydrophobicContact CE1-CG 4.15Å; F84-Y168 HydrophobicContact CE2-CD2 4.09Å; F84-Y168 AromaticContact CE2-CE2 3.74Å; F84-Y168 HydrophobicContact CE2-CE2 3.74Å; F84-Y168 AromaticContact CG-CD2 3.8Å; F84-Y168 HydrophobicContact CG-CD2 3.8Å; F84-Y168 HydrophobicContact CG-CE2 4.3Å; F84-Y168 AromaticContact CZ-CD2 3.77Å; F84-Y168 HydrophobicContact CZ-CD2 3.77Å; F84-Y168 AromaticContact CZ-CE2 3.34Å; F84-Y168 HydrophobicContact CZ-CE2 3.34Å
85	I	96.6	Very high	80.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.8	-179.7	-65.4	131.1	0	0	0	109.4	V74 L75 I76 V83 L166 L167 Y189 F204	V74-I85 HydrophobicContact CB-CG2 3.86Å; V74-I85 HydrophobicContact CG1-CG2 3.85Å; V74-I85 HydrophobicContact CG2-CG2 4.19Å; L75-I85 WeakPolarHBondContact O-CA 3.25Å; I76-I85 HydrophobicContact CG1-CG1 4.16Å; I76-I85 HydrophobicContact CG2-CG1 4.39Å; V83-I85 HydrophobicContact CG1-CD1 4.28Å; V83-I85 HydrophobicContact CG1-CG1 4.47Å; I85-L166 HydrophobicContact CG2-CB 4.22Å; I85-L166 HydrophobicContact CG2-CD2 3.99Å; I85-L166 WeakPolarHBondContact O-CB 3.18Å; I85-L166 PolarHBondContact O-N 2.92Å; I85-L167 HydrophobicContact CB-CB 4.28Å; I85-L167 HydrophobicContact CD1-CB 3.75Å; I85-L167 HydrophobicContact CD1-CD1 4.19Å; I85-L167 PolarHBondContact N-O 2.84Å; I85-Y189 HydrophobicContact CD1-CE1 3.94Å; I85-Y189 WeakPolarHBondContact CD1-OH 3.46Å; I85-F204 HydrophobicContact CD1-CE1 4.22Å; I85-F204 HydrophobicContact CD1-CZ 3.71Å; I85-F204 HydrophobicContact CG1-CE1 4.14Å; I85-F204 HydrophobicContact CG1-CZ 4.12Å; I85-F204 HydrophobicContact CG2-CE1 4.22Å
86	Y	95.7	Very high	77.6	Confident	18 Å²	18	73.5 Å²	73.5	7%	0.071	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.6	-179.5	-56.1	-89.3	0	0	0	111.8	V74 L75 K77 F84 R88 C159 I160 N164 L165	V74-Y86 CarbonylContact C-O 3.56Å; V74-Y86 WeakPolarHBondContact CA-O 3.29Å; V74-Y86 WeakPolarHBondContact CB-O 3.31Å; L75-Y86 PolarHBondContact N-O 3.42Å; L75-Y86 PolarHBondContact O-N 3.17Å; K77-Y86 HydrophobicContact CB-CE2 4.2Å; F84-Y86 HydrophobicContact CB-CD2 4.43Å; F84-Y86 HydrophobicContact CB-CE2 3.61Å; Y86-R88 PolarHBondContact O-N 2.94Å; Y86-C159 WeakPolarHBondContact CB-O 3.3Å; Y86-I160 HydrophobicContact CE1-CG2 4.28Å; Y86-I160 HydrophobicContact CE2-CG2 4.22Å; Y86-N164 CarbonylContact C-O 3.47Å; Y86-N164 WeakPolarHBondContact CA-O 3.43Å; Y86-L165 HydrophobicContact CD1-CB 4.22Å; Y86-L165 HydrophobicContact CD1-CD1 4.11Å; Y86-L165 HydrophobicContact CE1-CB 4.19Å; Y86-L165 HydrophobicContact CE1-CD1 3.81Å
87	L	93.3	Very high	74.7	Confident	50 Å²	50	82.2 Å²	82.2	26%	0.262	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	111.9	174.7	-79.3	168.2	0	0	0	111.6	Q72 K89 N164 L166	Q72-L87 HydrophobicContact CB-CD2 4.16Å; Q72-L87 HydrophobicContact CG-CD2 4.47Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.92Å; L87-N164 PolarHBondContact N-O 3.36Å; L87-L166 HydrophobicContact CD1-CD1 4.01Å; L87-L166 HydrophobicContact CD2-CD1 4.18Å; L87-L166 HydrophobicContact CG-CB 4.32Å; L87-L166 HydrophobicContact CG-CD1 4.08Å
88	R	88.3	Confident	72	Confident	42 Å²	42	85.6 Å²	85.6	16%	0.158	42%	0.419	C	S	.	.			trans	-76.6	84.5	167.4	-70.2	-164.3	71.1	-177.9	-0.1	109.5	C35 K73 L75 Y86 K90 D153 M156	C35-R88 PolarHBondContact SG-NH1 2.81Å; K73-R88 HydrophobicContact CB-CB 3.99Å; K73-R88 PolarHBondContact O-N 3.47Å; L75-R88 HydrophobicContact CB-CG 4.09Å; Y86-R88 PolarHBondContact O-N 2.94Å; R88-K90 PolarHBondContact O-N 3Å; R88-D153 IonicContact CZ-OD2 3.13Å; R88-D153 VanDerWaalsContact CZ-OD2 3.27Å; R88-D153 IonicContact NH1-OD2 2.86Å; R88-D153 PolarHBondContact NH1-OD2 2.96Å; R88-D153 IonicContact NH2-OD2 3.43Å; R88-D153 PolarHBondContact NH2-OD2 3.47Å; R88-M156 PolarHBondContact NH1-SD 3.37Å
89	K	76.5	Confident	69.1	Low	143 Å²	143	92 Å²	92	62%	0.622	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-51.3	132.6	167.4	-73	166.3	178.6	158.6	0	108.8	L87 N164	L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.92Å; K89-N164 WeakPolarHBondContact CD-OD1 3.29Å; K89-N164 WeakPolarHBondContact CE-OD1 3.29Å; K89-N164 PolarHBondContact NZ-OD1 3.03Å
90	K	63.8	Low	66.6	Low	166 Å²	166	97.5 Å²	97.5	72%	0.722	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-72.6	140.5	167	-69.6	-173.6	178.2	-173.5	0	108.3	R88 K92	R88-K90 PolarHBondContact O-N 3Å; K90-K92 PolarHBondContact O-N 2.82Å
91	P	51.9	Low	63.9	Low	115 Å²	115	108 Å²	108	75%	0.747	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57.3	125.9	161.3	25.7	-32.6	0	0	0	108.3	F93	P91-F93 VanDerWaalsContact C-N 3.34Å; P91-F93 PolarHBondContact O-N 3.47Å
92	K	43.8	Very low	61.3	Low	208 Å²	208	110 Å²	110	90%	0.904	55%	0.548	S	S	*	.			trans	-77.2	89	173.5	-72.3	-177.6	-179.9	177.1	0	107.7	K90 G94	K90-K92 PolarHBondContact O-N 2.82Å; K92-G94 VanDerWaalsContact C-N 3.3Å; K92-G94 PolarHBondContact O-N 3.07Å
93	F	41.6	Very low	58.2	Low	162 Å²	162	119.8 Å²	119.8	71%	0.711	59%	0.591	S	S	*	*			trans	-66.6	91.9	173.9	-130.1	-84.8	0	0	0	109.1	P91 W97	P91-F93 VanDerWaalsContact C-N 3.34Å; P91-F93 PolarHBondContact O-N 3.47Å; F93-W97 AromaticContact CE1-CZ2 3.96Å; F93-W97 HydrophobicContact CE1-CZ2 3.96Å
94	G	37.8	Very low	55.6	Low	72 Å²	72	127.6 Å²	127.6	74%	0.742	63%	0.631	S	S	*	*			trans	-112.5	34.4	-170.2	0	0	0	0	0	113.2	K92	K92-G94 VanDerWaalsContact C-N 3.3Å; K92-G94 PolarHBondContact O-N 3.07Å
95	I	45.1	Very low	52.4	Low	134 Å²	134	131.3 Å²	131.3	69%	0.687	66%	0.662	S	S	*	*			trans	-120.3	133.4	-179.6	-58.8	-179.6	0	0	0	109.7
96	R	33.4	Very low	49.6	Very low	233 Å²	233	136.3 Å²	136.3	88%	0.879	70%	0.697	S	S	*	*			trans	-77	112.9	174.6	160.1	-174.3	160.2	-150.7	-2.7	108.6	P98	R96-P98 WeakPolarHBondContact O-CD 3.42Å
97	W	35.1	Very low	46.8	Very low	186 Å²	186	140.5 Å²	140.5	71%	0.705	73%	0.729	S	S	*	*			trans	-62.2	123.3	174.1	-62.9	94	0	0	0	110.8	F93	F93-W97 AromaticContact CE1-CZ2 3.96Å; F93-W97 HydrophobicContact CE1-CZ2 3.96Å
98	P	38.3	Very low	44.2	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	75%	0.754	S	S	*	*			trans	-77	126	164.9	31.2	-30.3	0	0	0	109.2	R96	R96-P98 WeakPolarHBondContact O-CD 3.42Å
99	V	37.4	Very low	41.9	Very low	133 Å²	133	152 Å²	152	81%	0.806	79%	0.788	S	S	*	*			trans	-98.6	99.9	174.2	178.6	0	0	0	0	108.9
100	S	43.6	Very low	40.1	Very low	118 Å²	118	151.1 Å²	151.1	83%	0.825	80%	0.797	S	S	*	*			trans	-140.9	137.4	162.6	-75.3	0	0	0	0	108.9
101	R	35.2	Very low	38.7	Very low	235 Å²	235	146.9 Å²	146.9	89%	0.887	80%	0.8	S	S	*	*			trans	-117.8	137.7	172.1	-46.2	177	-167.6	-168.3	2.4	108.5
102	T	39.2	Very low	37.8	Very low	138 Å²	138	149 Å²	149	85%	0.847	81%	0.806	S	S	*	*			trans	-159.6	124.5	150.7	8	0	0	0	0	109.3
103	F	32.2	Very low	37.3	Very low	204 Å²	204	150.7 Å²	150.7	90%	0.895	81%	0.807	S	S	*	*			trans	-87.8	126.1	164.4	-83.1	-104.8	0	0	0	108.2
104	I	40.9	Very low	36.8	Very low	167 Å²	167	149.7 Å²	149.7	86%	0.856	81%	0.813	S	S	*	*			trans	-139.4	142.8	154.4	-59.1	-175.9	0	0	0	106.8
105	S	31.5	Very low	36.2	Very low	116 Å²	116	155.8 Å²	155.8	81%	0.811	82%	0.82	S	S	*	*			trans	-129.4	121.6	-175.6	168.6	0	0	0	0	110.5
106	S	37.8	Very low	35.4	Very low	105 Å²	105	153.9 Å²	153.9	73%	0.734	82%	0.818	S	S	*	*			trans	-175.6	115.9	155.6	54.6	0	0	0	0	114.4
107	S	36.1	Very low	35.3	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	82%	0.818	S	S	*	*			trans	69.7	150.2	135.7	-138.2	0	0	0	0	123.6
108	Q	39.2	Very low	35	Very low	170 Å²	170	149.2 Å²	149.2	79%	0.794	82%	0.817	S	S	*	*			trans	71.7	81.1	154.4	-75.5	165.6	4.9	0	0	121.8
109	N	39.7	Very low	34.4	Very low	162 Å²	162	149.9 Å²	149.9	87%	0.866	81%	0.813	S	S	*	*				58.8	155.4	123.6	-79.8	3.6	0	0	0	123.4
110	P	37.7	Very low	34	Very low	125 Å²	125	148.4 Å²	148.4	81%	0.812	81%	0.805	S	S	*	*			trans	-116.1	164.5	-146.7	41.3	-32.1	0	0	0	116.3
111	G	34.7	Very low	33.3	Very low	77 Å²	77	148.6 Å²	148.6	79%	0.794	80%	0.801	S	S	*	*			trans	-153.7	127	171.3	0	0	0	0	0	113.3
112	N	33.4	Very low	33	Very low	161 Å²	161	143.3 Å²	143.3	86%	0.861	79%	0.791	S	S	*	*			trans	-59.3	133.2	-173	-66.8	-36.1	0	0	0	115.2
113	R	33.6	Very low	32.5	Very low	243 Å²	243	141.8 Å²	141.8	92%	0.917	78%	0.781	S	S	*	*				-174.5	100.1	123.7	-101.4	162.4	-165.1	-138.4	2.1	114.7	F115	R113-F115 PolarHBondContact O-N 3.32Å
114	V	30.5	Very low	32.5	Very low	140 Å²	140	138.5 Å²	138.5	85%	0.848	78%	0.778	S	S	*	*			trans	13.4	97.4	145.7	-170.1	0	0	0	0	117.4
115	F	26.4	Very low	31.9	Very low	201 Å²	201	135.2 Å²	135.2	88%	0.882	77%	0.77	S	S	*	*			trans	-162	138.6	135.9	-106.6	-72.6	0	0	0	110.2	R113	R113-F115 PolarHBondContact O-N 3.32Å
116	S	28.5	Very low	31.9	Very low	93 Å²	93	135 Å²	135	65%	0.65	76%	0.764	S	S	*	*			trans	23	112.6	160.9	59.6	0	0	0	0	121.4
117	E	31.3	Very low	31.6	Very low	186 Å²	186	138.3 Å²	138.3	87%	0.869	77%	0.765	S	S	*	*			trans	-154.4	142.6	147	-110.1	153.9	-158.9	0	0	109.3
118	I	27	Very low	31.2	Very low	136 Å²	136	138.9 Å²	138.9	70%	0.697	76%	0.76	S	S	*	*			cis	86.7	103.8	16.5	-55.7	-178	0	0	0	115.6
119	L	26.7	Very low	30.9	Very low	130 Å²	130	135.6 Å²	135.6	68%	0.681	76%	0.755	S	S	*	*			trans	62.3	130.6	153.6	-102.1	79.7	0	0	0	121.6
120	T	28.2	Very low	30.4	Very low	103 Å²	103	135.7 Å²	135.7	63%	0.632	76%	0.756	S	S	*	*			trans	62.8	141	143.4	54.2	0	0	0	0	118.7
121	T	29.2	Very low	29.9	Very low	122 Å²	122	132.9 Å²	132.9	75%	0.748	75%	0.749	S	S	*	*				176.8	165.6	77	34.6	0	0	0	0	108.6
122	D	28.9	Very low	29.7	Very low	123 Å²	123	136.8 Å²	136.8	66%	0.658	75%	0.75	S	S	*	*			cis	-161.7	158.7	-36.6	-115.6	-14.4	0	0	0	110.4
123	T	29.7	Very low	29.6	Very low	106 Å²	106	136.1 Å²	136.1	65%	0.65	75%	0.752	S	S	*	*			trans	30.6	129.1	153.2	67.1	0	0	0	0	120.8
124	T	30.9	Very low	29.6	Very low	136 Å²	136	127.1 Å²	127.1	83%	0.834	74%	0.735	S	S	*	*				176.4	160.8	81.6	35.4	0	0	0	0	108.9
125	S	29	Very low	29.5	Very low	98 Å²	98	127.9 Å²	127.9	69%	0.685	73%	0.729	S	S	*	*			cis	-158.6	132.1	-12.8	163.3	0	0	0	0	109.5
126	V	31.1	Very low	30	Very low	112 Å²	112	127.8 Å²	127.8	68%	0.679	72%	0.724	S	S	*	*			trans	19.6	124.6	137.6	-164.3	0	0	0	0	116.3
127	K	30.9	Very low	30.1	Very low	174 Å²	174	128.6 Å²	128.6	76%	0.757	72%	0.721	S	S	*	*				-171.3	136	73.1	-153.9	145.4	-167.4	175.2	0	118.4
128	D	29.4	Very low	30.3	Very low	119 Å²	119	123.9 Å²	123.9	64%	0.636	71%	0.714	S	S	*	*			trans	40.5	112.9	142.2	-49.1	-12.6	0	0	0	124.6
129	S	31.3	Very low	30.9	Very low	100 Å²	100	124.4 Å²	124.4	70%	0.699	72%	0.717	S	S	*	*				108.7	137	110.7	73.3	0	0	0	0	124.2
130	N	29.4	Very low	31.2	Very low	165 Å²	165	123 Å²	123	88%	0.882	72%	0.718	S	S	*	*			trans	82.5	135.8	150	-58.6	-21.2	0	0	0	122
131	G	28.7	Very low	31.5	Very low	65 Å²	65	120.8 Å²	120.8	67%	0.67	71%	0.71	S	S	*	*			trans	110.2	77.8	174	0	0	0	0	0	114.1
132	I	30.1	Very low	31.6	Very low	159 Å²	159	119.2 Å²	119.2	82%	0.815	70%	0.701	S	S	*	*				87.4	136	77.6	-71.8	172.9	0	0	0	113.8
133	T	31.8	Very low	31.7	Very low	147 Å²	147	115.5 Å²	115.5	90%	0.902	69%	0.691	S	S	*	*			trans	73.2	139	-179.6	59.5	0	0	0	0	119.6
134	G	32.5	Very low	32	Very low	54 Å²	54	113.9 Å²	113.9	56%	0.557	68%	0.684	S	S	*	*			trans	101.4	63.8	160	0	0	0	0	0	119.5
135	E	27.9	Very low	32.1	Very low	156 Å²	156	111.3 Å²	111.3	73%	0.729	68%	0.684	S	S	*	*			trans	-96.2	89	172.5	-168.2	-176.6	161.9	0	0	112.8	K208	E135-K208 WeakPolarHBondContact OE1-CE 3.35Å; E135-K208 IonicContact OE1-NZ 3.31Å; E135-K208 PolarHBondContact OE1-NZ 3.18Å
136	Y	37.8	Very low	32.7	Very low	199 Å²	199	111 Å²	111	78%	0.78	68%	0.675	S	S	*	*			trans	-127.7	98.9	169.2	36	-98.2	0	0	0	112.3	A138	Y136-A138 PolarHBondContact O-N 2.91Å
137	D	31.1	Very low	33	Very low	110 Å²	110	110.8 Å²	110.8	59%	0.588	67%	0.669	S	S	*	*			trans	-70.9	69.2	175.4	-93	-50.2	0	0	0	111.4	K208	D137-K208 IonicContact OD2-NZ 3.72Å; D137-K208 PolarHBondContact OD2-NZ 2.95Å
138	A	35.1	Very low	33.2	Very low	87 Å²	87	105.7 Å²	105.7	72%	0.719	67%	0.666	S	S	*	*			trans	-111.5	100.3	173.4	0	0	0	0	0	110.9	Y136	Y136-A138 PolarHBondContact O-N 2.91Å
139	I	40	Very low	34.2	Very low	148 Å²	148	102.2 Å²	102.2	76%	0.759	65%	0.648	S	S	*	*			trans	-128.5	122.5	169.5	-60.4	-178.5	0	0	0	107.7
140	S	32.8	Very low	34.7	Very low	100 Å²	100	100.4 Å²	100.4	70%	0.699	64%	0.644	S	S	*	*			trans	-71.9	170.6	-176.9	-163.7	0	0	0	0	112.5
141	A	33.1	Very low	36.1	Very low	56 Å²	56	92.7 Å²	92.7	46%	0.463	60%	0.603	S	S	.	*			trans	-60.1	142.5	157	0	0	0	0	0	110.9
142	T	32.5	Very low	37.4	Very low	90 Å²	90	99.3 Å²	99.3	55%	0.552	61%	0.608	S	S	*	*			trans	-177.7	117.3	149.4	42.7	0	0	0	0	105.7	L559 E560	T142-L559 HydrophobicContact CG2-CD2 4.31Å; T142-L559 HydrophobicContact CG2-CG 4.12Å; T142-E560 WeakPolarHBondContact CA-OE2 3.38Å; T142-E560 HydrophobicContact CG2-CB 4.3Å; T142-E560 HydrophobicContact CG2-CG 4.07Å
143	G	30.4	Very low	38.7	Very low	44 Å²	44	95.1 Å²	95.1	45%	0.454	59%	0.587	S	S	.	*	S	Bend	trans	123.6	98.8	172.8	0	0	0	0	0	116.6
144	S	36.4	Very low	40	Very low	73 Å²	73	92.9 Å²	92.9	51%	0.51	57%	0.573	S	S	.	*	S	Bend	trans	38.7	100	156.9	-55	0	0	0	0	120.3	L146	S144-L146 VanDerWaalsContact C-N 3.35Å; S144-L146 PolarHBondContact O-N 3.05Å
145	G	32.3	Very low	41.5	Very low	81 Å²	81	93.2 Å²	93.2	84%	0.835	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.2	-48	133.9	0	0	0	0	0	119
146	L	42.5	Very low	43.2	Very low	92 Å²	92	86.1 Å²	86.1	48%	0.482	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-19.4	-168.1	-161.2	57.2	0	0	0	115	S144 L157	S144-L146 VanDerWaalsContact C-N 3.35Å; S144-L146 PolarHBondContact O-N 3.05Å; L146-L157 HydrophobicContact CD1-CD2 4.09Å; L146-L157 HydrophobicContact CD2-CD1 3.62Å; L146-L157 HydrophobicContact CD2-CD2 3.96Å; L146-L157 HydrophobicContact CD2-CG 4.41Å; L146-L157 HydrophobicContact CG-CD1 4.02Å; L146-L157 HydrophobicContact CG-CD2 3.82Å
147	L	36.8	Very low	44.7	Very low	107 Å²	107	78.9 Å²	78.9	56%	0.56	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-84.7	-20.3	-176.3	-63.2	173.5	0	0	0	113.6	L149	L147-L149 PolarHBondContact O-N 2.83Å; L147-L149 VanDerWaalsContact O-N 3.13Å
148	G	35.8	Very low	46.4	Very low	68 Å²	68	79.4 Å²	79.4	70%	0.701	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.2	-177.8	0	0	0	0	0	115.6	G150	G148-G150 PolarHBondContact O-N 2.91Å
149	L	50.2	Low	48.4	Very low	46 Å²	46	75.7 Å²	75.7	24%	0.241	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-74.8	18.4	-178.5	-60.4	175.3	0	0	0	114.1	Q30 L147 L151	Q30-L149 HydrophobicContact CB-CD2 4.35Å; L147-L149 PolarHBondContact O-N 2.83Å; L147-L149 VanDerWaalsContact O-N 3.13Å; L149-L151 HydrophobicContact CB-CD1 3.95Å; L149-L151 HydrophobicContact CB-CG 3.95Å; L149-L151 HydrophobicContact CD1-CD1 4.28Å; L149-L151 PolarHBondContact O-N 3.28Å
150	G	42.3	Very low	50.4	Low	61 Å²	61	71.2 Å²	71.2	63%	0.629	46%	0.457	S	S	*	.	S	Bend	trans	69.7	10	-173.4	0	0	0	0	0	114.1	G148 R152	G148-G150 PolarHBondContact O-N 2.91Å; G150-R152 VanDerWaalsContact C-N 3.27Å; G150-R152 PolarHBondContact O-N 2.76Å
151	L	57.9	Low	52.8	Low	4 Å²	4	71.8 Å²	71.8	2%	0.021	45%	0.448	C	S	.	.			trans	-81	65.8	-175.7	-64.9	177.5	0	0	0	111.2	H33 L149 D153 M156 L157 I160	H33-L151 HydrophobicContact CB-CD2 3.76Å; H33-L151 HydrophobicContact CB-CG 4.28Å; L149-L151 HydrophobicContact CB-CD1 3.95Å; L149-L151 HydrophobicContact CB-CG 3.95Å; L149-L151 HydrophobicContact CD1-CD1 4.28Å; L149-L151 PolarHBondContact O-N 3.28Å; L151-D153 PolarHBondContact O-N 2.83Å; L151-D153 VanDerWaalsContact O-N 3.12Å; L151-M156 HydrophobicContact CD2-CB 3.92Å; L151-M156 HydrophobicContact CD2-CE 3.35Å; L151-M156 HydrophobicContact CD2-SD 3.91Å; L151-L157 HydrophobicContact CD1-CD2 3.7Å; L151-I160 HydrophobicContact CD1-CD1 4.49Å
152	R	55.5	Low	55.3	Low	204 Å²	204	75.6 Å²	75.6	77%	0.77	46%	0.457	S	S	*	.			trans	-59.3	-21	177.5	-63.8	-174	-176.8	171.3	3.6	113.8	G150	G150-R152 VanDerWaalsContact C-N 3.27Å; G150-R152 PolarHBondContact O-N 2.76Å
153	D	57.5	Low	57.9	Low	70 Å²	70	75.4 Å²	75.4	37%	0.374	46%	0.459	S	S	.	.			trans	-99.4	114	175.6	-57.2	-21.8	0	0	0	109.8	R88 L151 S155 M156	R88-D153 IonicContact CZ-OD2 3.13Å; R88-D153 VanDerWaalsContact CZ-OD2 3.27Å; R88-D153 IonicContact NH1-OD2 2.86Å; R88-D153 PolarHBondContact NH1-OD2 2.96Å; R88-D153 IonicContact NH2-OD2 3.43Å; R88-D153 PolarHBondContact NH2-OD2 3.47Å; L151-D153 PolarHBondContact O-N 2.83Å; L151-D153 VanDerWaalsContact O-N 3.12Å; D153-S155 PolarHBondContact O-N 3.16Å; D153-M156 HydrophobicContact CB-CB 4.48Å; D153-M156 HydrophobicContact CB-CG 3.84Å; D153-M156 HydrophobicContact CB-SD 4.01Å; D153-M156 WeakPolarHBondContact O-CB 3.5Å; D153-M156 PolarHBondContact O-N 2.78Å
154	T	60.8	Low	60.7	Low	101 Å²	101	73.9 Å²	73.9	62%	0.62	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-56.5	-34.8	170.2	48.7	0	0	0	0	112.1	M156 L157	T154-M156 PolarHBondContact O-N 3.04Å; T154-L157 WeakPolarHBondContact O-CB 3.41Å; T154-L157 PolarHBondContact O-N 3.14Å
155	S	63.1	Low	63.4	Low	60 Å²	60	72.5 Å²	72.5	42%	0.42	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-59.8	-2.7	172.2	70.7	0	0	0	0	116	D153 D158	D153-S155 PolarHBondContact O-N 3.16Å; S155-D158 WeakPolarHBondContact CA-OD2 3.18Å
156	M	64	Low	66.3	Low	8 Å²	8	71.3 Å²	71.3	4%	0.039	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-84.7	-29.1	166.9	-74	176.2	72.2	0	0	112.8	C35 L75 R88 L151 D153 T154 C159 I160	C35-M156 WeakPolarHBondContact SG-CE 3.49Å; C35-M156 VanDerWaalsContact SG-SD 3.69Å; L75-M156 HydrophobicContact CB-CE 4.45Å; L75-M156 HydrophobicContact CD1-CE 3.32Å; L75-M156 HydrophobicContact CD2-CB 4.16Å; L75-M156 HydrophobicContact CD2-CE 3.86Å; L75-M156 HydrophobicContact CG-CE 4.06Å; R88-M156 PolarHBondContact NH1-SD 3.37Å; L151-M156 HydrophobicContact CD2-CB 3.92Å; L151-M156 HydrophobicContact CD2-CE 3.35Å; L151-M156 HydrophobicContact CD2-SD 3.91Å; D153-M156 HydrophobicContact CB-CB 4.48Å; D153-M156 HydrophobicContact CB-CG 3.84Å; D153-M156 HydrophobicContact CB-SD 4.01Å; D153-M156 WeakPolarHBondContact O-CB 3.5Å; D153-M156 PolarHBondContact O-N 2.78Å; T154-M156 PolarHBondContact O-N 3.04Å; M156-C159 PolarHBondContact O-N 3.34Å; M156-C159 PolarHBondContact O-SG 3.49Å; M156-I160 WeakPolarHBondContact O-CG1 3.47Å; M156-I160 PolarHBondContact O-N 3.39Å
157	L	68.2	Low	68.7	Low	46 Å²	46	68.1 Å²	68.1	24%	0.241	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-45.9	175	-59	169.6	0	0	0	109.7	L146 L151 T154 C159 I160	L146-L157 HydrophobicContact CD1-CD2 4.09Å; L146-L157 HydrophobicContact CD2-CD1 3.62Å; L146-L157 HydrophobicContact CD2-CD2 3.96Å; L146-L157 HydrophobicContact CD2-CG 4.41Å; L146-L157 HydrophobicContact CG-CD1 4.02Å; L146-L157 HydrophobicContact CG-CD2 3.82Å; L151-L157 HydrophobicContact CD1-CD2 3.7Å; T154-L157 WeakPolarHBondContact O-CB 3.41Å; T154-L157 PolarHBondContact O-N 3.14Å; L157-C159 PolarHBondContact O-N 3.02Å; L157-I160 HydrophobicContact CD2-CD1 4.26Å; L157-I160 PolarHBondContact O-N 3.1Å
158	D	67.4	Low	71.5	Confident	122 Å²	122	67.6 Å²	67.6	65%	0.652	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.7	173	-53.2	-19.1	0	0	0	114.1	S155 N164	S155-D158 WeakPolarHBondContact CA-OD2 3.18Å; D158-N164 PolarHBondContact O-ND2 3.42Å
159	C	77.3	Confident	74.3	Confident	8 Å²	8	65.6 Å²	65.6	5%	0.054	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.6	179	91.6	0	0	0	0	113.6	L75 Y86 M156 L157 H161 N164	L75-C159 VanDerWaalsContact CD2-SG 3.57Å; Y86-C159 WeakPolarHBondContact CB-O 3.3Å; M156-C159 PolarHBondContact O-N 3.34Å; M156-C159 PolarHBondContact O-SG 3.49Å; L157-C159 PolarHBondContact O-N 3.02Å; C159-H161 PolarHBondContact O-N 2.82Å; C159-N164 VanDerWaalsContact O-CB 3.27Å; C159-N164 WeakPolarHBondContact O-CB 3.34Å; C159-N164 PolarHBondContact O-ND2 2.65Å
160	I	81.9	Confident	76.5	Confident	54 Å²	54	64 Å²	64	28%	0.277	34%	0.34	S	S	.	.			trans	-80.5	67	172.8	-52.1	163.4	0	0	0	108.7	H33 L75 Y86 L151 M156 L157	H33-I160 WeakPolarHBondContact CE1-CD1 3.28Å; L75-I160 HydrophobicContact CD2-CD1 4.09Å; L75-I160 HydrophobicContact CD2-CG1 3.74Å; Y86-I160 HydrophobicContact CE1-CG2 4.28Å; Y86-I160 HydrophobicContact CE2-CG2 4.22Å; L151-I160 HydrophobicContact CD1-CD1 4.49Å; M156-I160 WeakPolarHBondContact O-CG1 3.47Å; M156-I160 PolarHBondContact O-N 3.39Å; L157-I160 HydrophobicContact CD2-CD1 4.26Å; L157-I160 PolarHBondContact O-N 3.1Å
161	H	82.8	Confident	79	Confident	112 Å²	112	61.1 Å²	61.1	52%	0.519	31%	0.31	S	S	.	.	S	Bend	trans	-135.7	148.3	173.9	-177.7	-101.8	0	0	0	109.5	C159 S163 N164 L165	C159-H161 PolarHBondContact O-N 2.82Å; H161-S163 PolarHBondContact CE1-OG 3.46Å; H161-S163 PolarHBondContact ND1-N 3.36Å; H161-S163 PolarHBondContact ND1-OG 3.01Å; H161-S163 PolarHBondContact O-N 3.4Å; H161-S163 VanDerWaalsContact O-N 3.15Å; H161-N164 WeakPolarHBondContact O-CB 3.19Å; H161-N164 PolarHBondContact O-N 3.49Å; H161-L165 PolarHBondContact O-N 2.92Å
162	Q	86	Confident	80.8	Confident	137 Å²	137	68.6 Å²	68.6	64%	0.64	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-58.6	-33.7	-172.8	-168.5	66.4	-4.8	0	0	112.9	N164 L165	Q162-N164 PolarHBondContact O-N 3.22Å; Q162-N164 VanDerWaalsContact O-N 3.15Å; Q162-L165 WeakPolarHBondContact O-CB 3.24Å; Q162-L165 PolarHBondContact O-N 3.26Å; Q162-L165 VanDerWaalsContact O-N 3.11Å
163	S	87.1	Confident	82.6	Confident	85 Å²	85	62.5 Å²	62.5	59%	0.594	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-72.6	1.8	175.2	70.6	0	0	0	0	115.4	H161	H161-S163 PolarHBondContact CE1-OG 3.46Å; H161-S163 PolarHBondContact ND1-N 3.36Å; H161-S163 PolarHBondContact ND1-OG 3.01Å; H161-S163 PolarHBondContact O-N 3.4Å; H161-S163 VanDerWaalsContact O-N 3.15Å
164	N	88.6	Confident	84.4	Confident	13 Å²	13	59.3 Å²	59.3	7%	0.07	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-112.4	-7.3	169.8	-60.9	-48.2	0	0	0	112.7	Y86 L87 K89 D158 C159 H161 Q162 L166	Y86-N164 CarbonylContact C-O 3.47Å; Y86-N164 WeakPolarHBondContact CA-O 3.43Å; L87-N164 PolarHBondContact N-O 3.36Å; K89-N164 WeakPolarHBondContact CD-OD1 3.29Å; K89-N164 WeakPolarHBondContact CE-OD1 3.29Å; K89-N164 PolarHBondContact NZ-OD1 3.03Å; D158-N164 PolarHBondContact O-ND2 3.42Å; C159-N164 VanDerWaalsContact O-CB 3.27Å; C159-N164 WeakPolarHBondContact O-CB 3.34Å; C159-N164 PolarHBondContact O-ND2 2.65Å; H161-N164 WeakPolarHBondContact O-CB 3.19Å; H161-N164 PolarHBondContact O-N 3.49Å; Q162-N164 PolarHBondContact O-N 3.22Å; Q162-N164 VanDerWaalsContact O-N 3.15Å; N164-L166 PolarHBondContact O-N 2.96Å
165	L	93	Very high	86	Confident	44 Å²	44	57.9 Å²	57.9	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	117.4	-179.1	-174.8	67.2	0	0	0	109.9	F84 Y86 H161 Q162 L167	F84-L165 HydrophobicContact CB-CD1 4.01Å; F84-L165 HydrophobicContact CD1-CD1 4.26Å; Y86-L165 HydrophobicContact CD1-CB 4.22Å; Y86-L165 HydrophobicContact CD1-CD1 4.11Å; Y86-L165 HydrophobicContact CE1-CB 4.19Å; Y86-L165 HydrophobicContact CE1-CD1 3.81Å; H161-L165 PolarHBondContact O-N 2.92Å; Q162-L165 WeakPolarHBondContact O-CB 3.24Å; Q162-L165 PolarHBondContact O-N 3.26Å; Q162-L165 VanDerWaalsContact O-N 3.11Å; L165-L167 WeakPolarHBondContact CD1-O 3.29Å
166	L	93	Very high	87.5	Confident	56 Å²	56	57.4 Å²	57.4	29%	0.293	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-44.2	-179.7	-174.2	80.4	0	0	0	111.6	F38 I85 L87 N164	F38-L166 HydrophobicContact CD1-CD2 3.64Å; F38-L166 HydrophobicContact CE1-CD2 3.86Å; F38-L166 HydrophobicContact CG-CD2 4.17Å; I85-L166 HydrophobicContact CG2-CB 4.22Å; I85-L166 HydrophobicContact CG2-CD2 3.99Å; I85-L166 WeakPolarHBondContact O-CB 3.18Å; I85-L166 PolarHBondContact O-N 2.92Å; L87-L166 HydrophobicContact CD1-CD1 4.01Å; L87-L166 HydrophobicContact CD2-CD1 4.18Å; L87-L166 HydrophobicContact CG-CB 4.32Å; L87-L166 HydrophobicContact CG-CD1 4.08Å; N164-L166 PolarHBondContact O-N 2.96Å
167	L	93.6	Very high	89	Confident	25 Å²	25	58.2 Å²	58.2	13%	0.131	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.5	-175.5	-68.1	171.8	0	0	0	108.9	F38 I85 L165 N202	F38-L167 HydrophobicContact CE2-CD1 4.25Å; F38-L167 HydrophobicContact CZ-CD1 4.14Å; I85-L167 HydrophobicContact CB-CB 4.28Å; I85-L167 HydrophobicContact CD1-CB 3.75Å; I85-L167 HydrophobicContact CD1-CD1 4.19Å; I85-L167 PolarHBondContact N-O 2.84Å; L165-L167 WeakPolarHBondContact CD1-O 3.29Å; L167-N202 HydrophobicContact CD1-CB 4.46Å; L167-N202 WeakPolarHBondContact CD1-OD1 3.46Å
168	Y	95.2	Very high	90.2	Very high	95 Å²	95	56.7 Å²	56.7	37%	0.373	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.7	168.2	166.6	-118.5	0	0	0	108.8	V83 F84 P170	V83-Y168 WeakPolarHBondContact O-CA 3.44Å; F84-Y168 AromaticContact CD1-CD2 3.44Å; F84-Y168 HydrophobicContact CD1-CD2 3.44Å; F84-Y168 VanDerWaalsContact CD1-CD2 3.44Å; F84-Y168 AromaticContact CD1-CE2 3.95Å; F84-Y168 HydrophobicContact CD1-CE2 3.95Å; F84-Y168 HydrophobicContact CD1-CG 4.11Å; F84-Y168 HydrophobicContact CD2-CD2 4.12Å; F84-Y168 HydrophobicContact CD2-CE2 4.21Å; F84-Y168 AromaticContact CE1-CD2 3.42Å; F84-Y168 HydrophobicContact CE1-CD2 3.42Å; F84-Y168 VanDerWaalsContact CE1-CD2 3.42Å; F84-Y168 AromaticContact CE1-CE2 3.46Å; F84-Y168 HydrophobicContact CE1-CE2 3.46Å; F84-Y168 VanDerWaalsContact CE1-CE2 3.46Å; F84-Y168 HydrophobicContact CE1-CG 4.15Å; F84-Y168 HydrophobicContact CE2-CD2 4.09Å; F84-Y168 AromaticContact CE2-CE2 3.74Å; F84-Y168 HydrophobicContact CE2-CE2 3.74Å; F84-Y168 AromaticContact CG-CD2 3.8Å; F84-Y168 HydrophobicContact CG-CD2 3.8Å; F84-Y168 HydrophobicContact CG-CE2 4.3Å; F84-Y168 AromaticContact CZ-CD2 3.77Å; F84-Y168 HydrophobicContact CZ-CD2 3.77Å; F84-Y168 AromaticContact CZ-CE2 3.34Å; F84-Y168 HydrophobicContact CZ-CE2 3.34Å; Y168-P170 HydrophobicContact CE1-CG 3.91Å
169	H	95.4	Very high	91.5	Very high	27 Å²	27	53.2 Å²	53.2	13%	0.125	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.7	171.8	-56.3	-87.4	0	0	0	109	G82 V83 I174 Y189 A191	G82-H169 CarbonylContact C-O 3.55Å; G82-H169 VanDerWaalsContact CA-O 3.26Å; G82-H169 WeakPolarHBondContact CA-O 3.21Å; V83-H169 PolarHBondContact N-O 2.83Å; V83-H169 PolarHBondContact O-N 2.85Å; H169-I174 HydrophobicContact CB-CD1 4.47Å; H169-I174 HydrophobicContact CB-CG1 4.16Å; H169-Y189 AromaticContact CD2-CE2 3.47Å; H169-Y189 VanDerWaalsContact CD2-CE2 3.47Å; H169-Y189 WeakPolarHBondContact CD2-CE2 3.12Å; H169-Y189 AromaticContact CD2-CZ 3.64Å; H169-Y189 PolarHBondContact CD2-OH 3.28Å; H169-Y189 AromaticContact NE2-CE2 3.86Å; H169-Y189 PolarHBondContact NE2-OH 2.89Å; H169-A191 HydrophobicContact CB-CB 3.95Å; H169-A191 VanDerWaalsContact ND1-CB 3.31Å; H169-A191 WeakPolarHBondContact ND1-CB 3.46Å
170	P	95.6	Very high	92.3	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.071	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	148.2	170.9	-22.4	31.5	0	0	0	111.8	D81 Y168 Y172 R173	D81-P170 CarbonylContact O-C 3.59Å; D81-P170 WeakPolarHBondContact O-CA 3.39Å; Y168-P170 HydrophobicContact CE1-CG 3.91Å; P170-Y172 VanDerWaalsContact C-N 3.29Å; P170-Y172 HydrophobicContact CB-CD1 3.63Å; P170-Y172 HydrophobicContact CB-CE1 3.26Å; P170-Y172 HydrophobicContact CB-CG 4.4Å; P170-Y172 HydrophobicContact CG-CE1 3.94Å; P170-Y172 PolarHBondContact O-N 3.14Å; P170-R173 HydrophobicContact CB-CG 4.34Å; P170-R173 HydrophobicContact CG-CG 4.41Å; P170-R173 PolarHBondContact O-N 3.25Å
171	I	96.1	Very high	92.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.2	-46.5	-176.2	-63.5	-54.9	0	0	0	111.2	A80 D81 V83 R173 I174 A222 F223 C226	A80-I171 WeakPolarHBondContact O-CG1 3.39Å; D81-I171 PolarHBondContact O-N 3.4Å; V83-I171 HydrophobicContact CG2-CD1 4.17Å; I171-R173 PolarHBondContact O-N 2.86Å; I171-I174 HydrophobicContact CD1-CD1 4.43Å; I171-I174 PolarHBondContact O-N 3.44Å; I171-A222 HydrophobicContact CD1-CB 3.71Å; I171-A222 HydrophobicContact CG1-CB 4.19Å; I171-F223 HydrophobicContact CG2-CB 4.44Å; I171-F223 HydrophobicContact CG2-CD1 3.42Å; I171-F223 VanDerWaalsContact CG2-CD1 3.42Å; I171-F223 HydrophobicContact CG2-CE1 3.9Å; I171-F223 HydrophobicContact CG2-CG 4.06Å; I171-F223 WeakPolarHBondContact O-CE1 3.4Å; I171-C226 HydrophobicContact CB-CB 3.99Å; I171-C226 HydrophobicContact CG1-CB 4.43Å; I171-C226 HydrophobicContact CG2-CB 3.71Å
172	Y	93.7	Very high	93.1	Very high	162 Å²	162	54.3 Å²	54.3	64%	0.635	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.7	-8.6	179	71.9	-98.9	0	0	0	115.4	P170	P170-Y172 VanDerWaalsContact C-N 3.29Å; P170-Y172 HydrophobicContact CB-CD1 3.63Å; P170-Y172 HydrophobicContact CB-CE1 3.26Å; P170-Y172 HydrophobicContact CB-CG 4.4Å; P170-Y172 HydrophobicContact CG-CE1 3.94Å; P170-Y172 PolarHBondContact O-N 3.14Å
173	R	94.1	Very high	93.5	Very high	75 Å²	75	49.4 Å²	49.4	28%	0.283	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-102.3	-9.7	175.1	-56.1	-165.5	-169.5	-171.4	-7.5	113.8	P170 I171 F175 A191 R192 S194	P170-R173 HydrophobicContact CB-CG 4.34Å; P170-R173 HydrophobicContact CG-CG 4.41Å; P170-R173 PolarHBondContact O-N 3.25Å; I171-R173 PolarHBondContact O-N 2.86Å; R173-F175 PolarHBondContact O-N 3.2Å; R173-A191 CarbonylContact O-C 3.57Å; R173-A191 VanDerWaalsContact O-CA 3.31Å; R173-A191 WeakPolarHBondContact O-CA 3.46Å; R173-R192 PolarHBondContact O-N 3.49Å; R173-S194 PolarHBondContact NH1-OG 2.84Å
174	I	95.7	Very high	93.8	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.6	178.8	-54.8	179.8	0	0	0	107.5	V83 H169 I171 Y189 I190 A191 F223	V83-I174 HydrophobicContact CB-CD1 4.01Å; V83-I174 HydrophobicContact CG2-CD1 3.48Å; V83-I174 VanDerWaalsContact CG2-CD1 3.48Å; H169-I174 HydrophobicContact CB-CD1 4.47Å; H169-I174 HydrophobicContact CB-CG1 4.16Å; I171-I174 HydrophobicContact CD1-CD1 4.43Å; I171-I174 PolarHBondContact O-N 3.44Å; I174-Y189 HydrophobicContact CD1-CD2 4.44Å; I174-Y189 HydrophobicContact CG1-CD2 4.42Å; I174-Y189 HydrophobicContact CG2-CD2 4.11Å; I174-Y189 HydrophobicContact CG2-CG 4.32Å; I174-I190 CarbonylContact C-O 3.59Å; I174-I190 WeakPolarHBondContact CA-O 3.3Å; I174-A191 HydrophobicContact CG1-CB 4.37Å; I174-F223 HydrophobicContact CB-CE1 3.99Å; I174-F223 HydrophobicContact CB-CZ 3.76Å; I174-F223 HydrophobicContact CG2-CE1 4.49Å; I174-F223 HydrophobicContact CG2-CZ 3.77Å; I174-F223 WeakPolarHBondContact O-CE1 3.19Å; I174-F223 VanDerWaalsContact O-CZ 3.29Å; I174-F223 WeakPolarHBondContact O-CZ 3.47Å
175	F	93.3	Very high	94.1	Very high	70 Å²	70	51.5 Å²	51.5	31%	0.307	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-33.1	-177.3	178	-103.5	0	0	0	112.5	P47 R173 I190 F199 M777	P47-F175 HydrophobicContact CG-CD1 4.07Å; P47-F175 HydrophobicContact CG-CE1 3.88Å; R173-F175 PolarHBondContact O-N 3.2Å; F175-I190 PolarHBondContact N-O 2.7Å; F175-F199 HydrophobicContact CB-CD1 4.26Å; F175-F199 HydrophobicContact CB-CE1 4.01Å; F175-F199 HydrophobicContact CD1-CE1 4.36Å; F175-F199 HydrophobicContact CD2-CE1 4.16Å; F175-F199 HydrophobicContact CG-CD1 4.38Å; F175-F199 AromaticContact CG-CE1 3.91Å; F175-F199 HydrophobicContact CG-CE1 3.91Å; F175-M777 WeakPolarHBondContact O-CE 3.36Å
176	Y	95	Very high	94.3	Very high	50 Å²	50	49.5 Å²	49.5	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	150	-174.6	-166.3	-106.5	0	0	0	111.8	I53 S178 Y189 I190	I53-Y176 HydrophobicContact CD1-CD1 3.55Å; I53-Y176 HydrophobicContact CD1-CD2 4.31Å; I53-Y176 HydrophobicContact CD1-CE1 3.66Å; I53-Y176 HydrophobicContact CD1-CE2 4.43Å; I53-Y176 HydrophobicContact CD1-CG 3.87Å; I53-Y176 HydrophobicContact CG2-CD1 3.81Å; I53-Y176 HydrophobicContact CG2-CE1 3.77Å; Y176-S178 VanDerWaalsContact CE1-CB 3.45Å; Y176-S178 WeakPolarHBondContact CE1-OG 3.19Å; Y176-Y189 CarbonylContact O-C 3.54Å; Y176-Y189 VanDerWaalsContact O-CA 3.22Å; Y176-Y189 WeakPolarHBondContact O-CA 3.38Å; Y176-I190 PolarHBondContact N-O 3.05Å; Y176-I190 PolarHBondContact O-N 2.91Å
177	V	95.9	Very high	94.5	Very high	25 Å²	25	47 Å²	47	15%	0.152	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.4	173.6	64.1	0	0	0	0	109.9	S188 V216 V219 F223	V177-S188 WeakPolarHBondContact CA-O 3.22Å; V177-V216 HydrophobicContact CG1-CG1 4.42Å; V177-V216 HydrophobicContact CG2-CG1 4.36Å; V177-V216 HydrophobicContact CG2-CG2 4.25Å; V177-V219 HydrophobicContact CB-CB 4.45Å; V177-V219 HydrophobicContact CB-CG1 4.04Å; V177-V219 HydrophobicContact CG1-CB 4.2Å; V177-V219 HydrophobicContact CG1-CG1 3.95Å; V177-V219 HydrophobicContact CG2-CB 4.07Å; V177-V219 HydrophobicContact CG2-CG1 4.09Å; V177-V219 HydrophobicContact CG2-CG2 4.38Å; V177-F223 HydrophobicContact CG1-CE2 4.11Å
178	S	94.1	Very high	94.7	Very high	14 Å²	14	45.9 Å²	45.9	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	166	-175.4	56.1	0	0	0	0	114	Y176 F187 S188	Y176-S178 VanDerWaalsContact CE1-CB 3.45Å; Y176-S178 WeakPolarHBondContact CE1-OG 3.19Å; S178-F187 CarbonylContact O-C 3.58Å; S178-F187 WeakPolarHBondContact O-CA 3.46Å; S178-F187 WeakPolarHBondContact O-CB 3.48Å; S178-S188 PolarHBondContact N-O 3.32Å; S178-S188 PolarHBondContact O-N 2.87Å
179	H	94	Very high	94.8	Very high	49 Å²	49	41.7 Å²	41.7	23%	0.227	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	157.7	169.4	56.3	-104.3	0	0	0	111.4	L184 I186 M213	H179-L184 VanDerWaalsContact CD2-CD2 3.47Å; H179-L184 WeakPolarHBondContact CD2-CD2 3.32Å; H179-I186 VanDerWaalsContact CA-O 3.26Å; H179-I186 WeakPolarHBondContact CA-O 3.48Å; H179-I186 WeakPolarHBondContact CB-O 3.32Å; H179-M213 VanDerWaalsContact CE1-SD 3.59Å; H179-M213 PolarHBondContact ND1-SD 2.85Å; H179-M213 VanDerWaalsContact ND1-SD 3.43Å
180	D	94.2	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121	172	-164.3	-31.1	0	0	0	109.7	M57 R58 R61 Q182 D183 L184 I186	M57-D180 HydrophobicContact SD-CB 3.68Å; R58-D180 WeakPolarHBondContact CG-OD2 3.48Å; R58-D180 IonicContact CZ-OD1 3.22Å; R58-D180 IonicContact NE-OD1 3.47Å; R58-D180 PolarHBondContact NE-OD1 2.96Å; R58-D180 IonicContact NE-OD2 2.73Å; R58-D180 PolarHBondContact NE-OD2 3.42Å; R58-D180 VanDerWaalsContact NE-OD2 3.13Å; R58-D180 IonicContact NH2-OD1 3.64Å; R58-D180 PolarHBondContact NH2-OD1 2.97Å; R61-D180 IonicContact CZ-OD2 2.61Å; R61-D180 IonicContact NH1-OD2 3.42Å; R61-D180 PolarHBondContact NH1-OD2 3.17Å; D180-Q182 PolarHBondContact O-N 2.99Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; D180-Q182 PolarHBondContact OD1-N 2.65Å; D180-D183 CarbonylContact O-C 3.18Å; D180-D183 PolarHBondContact O-N 3.4Å; D180-D183 VanDerWaalsContact O-N 3.08Å; D180-L184 PolarHBondContact O-N 3.43Å; D180-I186 HydrophobicContact CB-CB 4.21Å; D180-I186 HydrophobicContact CB-CG2 4.37Å; D180-I186 PolarHBondContact N-O 3.49Å; D180-I186 VanDerWaalsContact N-O 3.16Å
181	S	90.2	Very high	94.9	Very high	60 Å²	60	39.9 Å²	39.9	42%	0.42	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.1	177.4	54.7	0	0	0	0	113.8
182	Q	91.7	Very high	94.9	Very high	137 Å²	137	45.7 Å²	45.7	64%	0.64	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-13	176.9	-69.2	176.1	-8	0	0	114.3	R58 D180	R58-Q182 VanDerWaalsContact CZ-CD 3.43Å; R58-Q182 VanDerWaalsContact NH2-CD 3.26Å; D180-Q182 PolarHBondContact O-N 2.99Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; D180-Q182 PolarHBondContact OD1-N 2.65Å
183	D	93.9	Very high	94.7	Very high	34 Å²	34	41 Å²	41	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	78.2	175.7	-177.9	-3.2	0	0	0	107.7	R61 D180 K185 I186 K205	R61-D183 IonicContact CZ-OD2 2.57Å; R61-D183 IonicContact NH2-OD2 3.25Å; R61-D183 PolarHBondContact NH2-OD2 2.91Å; D180-D183 CarbonylContact O-C 3.18Å; D180-D183 PolarHBondContact O-N 3.4Å; D180-D183 VanDerWaalsContact O-N 3.08Å; D183-K185 PolarHBondContact O-N 3.01Å; D183-K185 PolarHBondContact OD1-N 3Å; D183-I186 HydrophobicContact CB-CB 4.48Å; D183-I186 HydrophobicContact CB-CG1 3.92Å; D183-I186 WeakPolarHBondContact O-CB 3.32Å; D183-I186 PolarHBondContact O-N 3.43Å; D183-I186 WeakPolarHBondContact OD2-CG1 3.31Å; D183-K205 IonicContact OD1-NZ 3.2Å; D183-K205 PolarHBondContact OD1-NZ 3.22Å; D183-K205 IonicContact OD2-NZ 3.63Å; D183-K205 PolarHBondContact OD2-NZ 2.86Å
184	L	93.1	Very high	94.2	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	9	-177.6	-59.3	172	0	0	0	114.5	H179 D180 K209 A212	H179-L184 VanDerWaalsContact CD2-CD2 3.47Å; H179-L184 WeakPolarHBondContact CD2-CD2 3.32Å; D180-L184 PolarHBondContact O-N 3.43Å; L184-K209 HydrophobicContact CB-CG 4.05Å; L184-K209 HydrophobicContact CD1-CD 4.24Å; L184-K209 HydrophobicContact CD1-CG 4.49Å; L184-A212 WeakPolarHBondContact O-CB 3.46Å
185	K	96	Very high	93.7	Very high	94 Å²	94	51.9 Å²	51.9	41%	0.409	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-3.1	165.7	-56.9	-175.3	-177.3	-174.1	0	112.1	D183 K205 A206	D183-K185 PolarHBondContact O-N 3.01Å; D183-K185 PolarHBondContact OD1-N 3Å; K185-K205 HydrophobicContact CB-CG 4.41Å; K185-K205 CarbonylContact O-C 3.52Å; K185-K205 WeakPolarHBondContact O-CA 3.28Å; K185-K205 WeakPolarHBondContact O-CG 3.21Å; K185-A206 PolarHBondContact O-N 3.32Å
186	I	97	Very high	93.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.5	175.6	-60.9	-76.6	0	0	0	108.7	V39 M57 H179 D180 D183 V203 F204 K205	V39-I186 HydrophobicContact CG2-CD1 4.4Å; M57-I186 HydrophobicContact CG-CG2 4.33Å; M57-I186 HydrophobicContact SD-CG2 3.69Å; H179-I186 VanDerWaalsContact CA-O 3.26Å; H179-I186 WeakPolarHBondContact CA-O 3.48Å; H179-I186 WeakPolarHBondContact CB-O 3.32Å; D180-I186 HydrophobicContact CB-CB 4.21Å; D180-I186 HydrophobicContact CB-CG2 4.37Å; D180-I186 PolarHBondContact N-O 3.49Å; D180-I186 VanDerWaalsContact N-O 3.16Å; D183-I186 HydrophobicContact CB-CB 4.48Å; D183-I186 HydrophobicContact CB-CG1 3.92Å; D183-I186 WeakPolarHBondContact O-CB 3.32Å; D183-I186 PolarHBondContact O-N 3.43Å; D183-I186 WeakPolarHBondContact OD2-CG1 3.31Å; I186-V203 HydrophobicContact CG2-CG1 3.77Å; I186-F204 WeakPolarHBondContact CA-O 3.36Å; I186-K205 HydrophobicContact CD1-CB 3.7Å; I186-K205 HydrophobicContact CD1-CD 3.92Å; I186-K205 HydrophobicContact CD1-CG 3.67Å; I186-K205 HydrophobicContact CG1-CG 4.45Å
187	F	97.3	Very high	93	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	159.8	168.9	65	-85	0	0	0	110.2	A36 I76 S178 F204 A206 A212 I215 V216	A36-F187 HydrophobicContact CB-CE1 4.46Å; A36-F187 HydrophobicContact CB-CZ 4.21Å; I76-F187 HydrophobicContact CD1-CE2 3.98Å; I76-F187 HydrophobicContact CD1-CZ 3.66Å; S178-F187 CarbonylContact O-C 3.58Å; S178-F187 WeakPolarHBondContact O-CA 3.46Å; S178-F187 WeakPolarHBondContact O-CB 3.48Å; F187-F204 HydrophobicContact CD1-CB 4.15Å; F187-F204 HydrophobicContact CD2-CB 4.12Å; F187-F204 HydrophobicContact CD2-CD2 4.17Å; F187-F204 HydrophobicContact CD2-CG 4.46Å; F187-F204 HydrophobicContact CE1-CB 3.62Å; F187-F204 HydrophobicContact CE2-CB 3.59Å; F187-F204 AromaticContact CE2-CD2 3.71Å; F187-F204 HydrophobicContact CE2-CD2 3.71Å; F187-F204 AromaticContact CE2-CG 3.74Å; F187-F204 HydrophobicContact CE2-CG 3.74Å; F187-F204 HydrophobicContact CG-CB 4.37Å; F187-F204 HydrophobicContact CZ-CB 3.31Å; F187-F204 HydrophobicContact CZ-CD2 4.27Å; F187-F204 AromaticContact CZ-CG 3.81Å; F187-F204 HydrophobicContact CZ-CG 3.81Å; F187-F204 PolarHBondContact N-O 3.4Å; F187-F204 VanDerWaalsContact N-O 3.15Å; F187-F204 PolarHBondContact O-N 2.83Å; F187-A206 HydrophobicContact CD1-CB 4.44Å; F187-A206 HydrophobicContact CE1-CB 4.14Å; F187-A212 HydrophobicContact CD1-CB 3.96Å; F187-I215 HydrophobicContact CD1-CD1 4.45Å; F187-I215 HydrophobicContact CD2-CG2 3.95Å; F187-I215 HydrophobicContact CE1-CD1 3.61Å; F187-I215 HydrophobicContact CE1-CG2 4.43Å; F187-I215 HydrophobicContact CE2-CD1 4.49Å; F187-I215 HydrophobicContact CE2-CG2 3.57Å; F187-I215 HydrophobicContact CZ-CB 4.46Å; F187-I215 HydrophobicContact CZ-CD1 3.63Å; F187-I215 HydrophobicContact CZ-CG2 3.84Å; F187-V216 HydrophobicContact CB-CG2 3.94Å
188	S	97.5	Very high	92.8	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158.2	171.6	75.3	0	0	0	0	110.6	M57 V177 S178 N202	M57-S188 VanDerWaalsContact CE-OG 3.29Å; M57-S188 WeakPolarHBondContact CE-OG 3.38Å; V177-S188 WeakPolarHBondContact CA-O 3.22Å; S178-S188 PolarHBondContact N-O 3.32Å; S178-S188 PolarHBondContact O-N 2.87Å; S188-N202 WeakPolarHBondContact CA-O 3.49Å; S188-N202 VanDerWaalsContact CB-O 3.24Å; S188-N202 WeakPolarHBondContact CB-O 3.31Å
189	Y	97.4	Very high	92.9	Very high	7 Å²	7	54.4 Å²	54.4	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.9	157.4	68.9	-93.8	0	0	0	109	V83 I85 H169 I174 Y176 A191 N202 F204	V83-Y189 HydrophobicContact CG1-CE1 4.33Å; I85-Y189 HydrophobicContact CD1-CE1 3.94Å; I85-Y189 WeakPolarHBondContact CD1-OH 3.46Å; H169-Y189 AromaticContact CD2-CE2 3.47Å; H169-Y189 VanDerWaalsContact CD2-CE2 3.47Å; H169-Y189 WeakPolarHBondContact CD2-CE2 3.12Å; H169-Y189 AromaticContact CD2-CZ 3.64Å; H169-Y189 PolarHBondContact CD2-OH 3.28Å; H169-Y189 AromaticContact NE2-CE2 3.86Å; H169-Y189 PolarHBondContact NE2-OH 2.89Å; I174-Y189 HydrophobicContact CD1-CD2 4.44Å; I174-Y189 HydrophobicContact CG1-CD2 4.42Å; I174-Y189 HydrophobicContact CG2-CD2 4.11Å; I174-Y189 HydrophobicContact CG2-CG 4.32Å; Y176-Y189 CarbonylContact O-C 3.54Å; Y176-Y189 VanDerWaalsContact O-CA 3.22Å; Y176-Y189 WeakPolarHBondContact O-CA 3.38Å; Y189-A191 HydrophobicContact CD2-CB 4.04Å; Y189-A191 HydrophobicContact CE2-CB 3.9Å; Y189-N202 HydrophobicContact CE1-CB 4.02Å; Y189-N202 HydrophobicContact CE2-CB 4.13Å; Y189-N202 WeakPolarHBondContact CE2-ND2 3.22Å; Y189-N202 PolarHBondContact N-O 3.29Å; Y189-N202 PolarHBondContact O-N 2.61Å; Y189-N202 PolarHBondContact OH-ND2 2.71Å; Y189-F204 AromaticContact CD1-CE2 3.89Å; Y189-F204 HydrophobicContact CD1-CE2 3.89Å; Y189-F204 AromaticContact CE1-CE2 3.43Å; Y189-F204 HydrophobicContact CE1-CE2 3.43Å; Y189-F204 VanDerWaalsContact CE1-CE2 3.43Å; Y189-F204 AromaticContact CE1-CZ 3.77Å; Y189-F204 HydrophobicContact CE1-CZ 3.77Å
190	I	97.1	Very high	93	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.8	174	-61.5	172.6	0	0	0	106.7	I44 P47 I53 I174 F175 Y176 F199 R200 C201	I44-I190 HydrophobicContact CD1-CD1 3.8Å; I44-I190 HydrophobicContact CD1-CG1 4.22Å; I44-I190 HydrophobicContact CD1-CG2 4.09Å; P47-I190 HydrophobicContact CG-CD1 4.08Å; I53-I190 HydrophobicContact CB-CD1 4.32Å; I53-I190 HydrophobicContact CD1-CD1 4.2Å; I53-I190 HydrophobicContact CG1-CD1 3.83Å; I53-I190 HydrophobicContact CG2-CD1 3.84Å; I174-I190 CarbonylContact C-O 3.59Å; I174-I190 WeakPolarHBondContact CA-O 3.3Å; F175-I190 PolarHBondContact N-O 2.7Å; Y176-I190 PolarHBondContact N-O 3.05Å; Y176-I190 PolarHBondContact O-N 2.91Å; I190-F199 HydrophobicContact CG2-CB 3.99Å; I190-F199 HydrophobicContact CG2-CD1 3.99Å; I190-F199 HydrophobicContact CG2-CG 4.5Å; I190-R200 WeakPolarHBondContact CA-O 3.49Å; I190-C201 HydrophobicContact CG1-CB 4.03Å
191	A	96	Very high	93.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.6	176.9	0	0	0	0	0	110.9	H169 R173 I174 Y189 R200	H169-A191 HydrophobicContact CB-CB 3.95Å; H169-A191 VanDerWaalsContact ND1-CB 3.31Å; H169-A191 WeakPolarHBondContact ND1-CB 3.46Å; R173-A191 CarbonylContact O-C 3.57Å; R173-A191 VanDerWaalsContact O-CA 3.31Å; R173-A191 WeakPolarHBondContact O-CA 3.46Å; I174-A191 HydrophobicContact CG1-CB 4.37Å; Y189-A191 HydrophobicContact CD2-CB 4.04Å; Y189-A191 HydrophobicContact CE2-CB 3.9Å; A191-R200 PolarHBondContact N-O 3.45Å; A191-R200 PolarHBondContact O-N 3.09Å
192	R	94.6	Very high	93.4	Very high	124 Å²	124	53.5 Å²	53.5	47%	0.468	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.6	174.7	-160.3	-177.1	-174.1	-166.8	1.8	109.8	R173 S197 V198 F199	R173-R192 PolarHBondContact O-N 3.49Å; R192-S197 VanDerWaalsContact CG-O 3.28Å; R192-S197 WeakPolarHBondContact CG-O 3.48Å; R192-S197 PolarHBondContact NE-O 2.95Å; R192-V198 WeakPolarHBondContact CA-O 3.34Å; R192-F199 HydrophobicContact CB-CD1 4.43Å; R192-F199 HydrophobicContact CB-CE1 4.27Å; R192-F199 HydrophobicContact CG-CE1 4.24Å; R192-F199 HydrophobicContact CG-CE2 4.29Å; R192-F199 HydrophobicContact CG-CZ 4.11Å
193	D	90.4	Very high	93.7	Very high	62 Å²	62	47 Å²	47	33%	0.332	23%	0.228	S	C	.	.			trans	-72.3	142.8	167.3	172.6	41	0	0	0	110.4	R195 T196 S197 V198	D193-R195 PolarHBondContact OD1-N 3.27Å; D193-R195 PolarHBondContact OD2-N 2.96Å; D193-R195 VanDerWaalsContact OD2-N 3.15Å; D193-T196 WeakPolarHBondContact CB-OG1 3.15Å; D193-T196 WeakPolarHBondContact OD2-CB 3.31Å; D193-T196 WeakPolarHBondContact OD2-CG2 3.44Å; D193-T196 PolarHBondContact OD2-N 2.95Å; D193-T196 PolarHBondContact OD2-OG1 3.21Å; D193-S197 VanDerWaalsContact O-CA 3.25Å; D193-S197 WeakPolarHBondContact O-CA 3.48Å; D193-S197 PolarHBondContact O-N 3.12Å; D193-V198 PolarHBondContact N-O 3.08Å
194	S	83.1	Confident	93.9	Very high	81 Å²	81	45.4 Å²	45.4	57%	0.566	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-29.1	177.3	46.6	0	0	0	0	113.6	R173	R173-S194 PolarHBondContact NH1-OG 2.84Å
195	R	85.4	Confident	94.2	Very high	227 Å²	227	45.7 Å²	45.7	86%	0.857	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-35.5	-168.3	-136.6	-174	76.9	104.4	4.9	113.4	D193	D193-R195 PolarHBondContact OD1-N 3.27Å; D193-R195 PolarHBondContact OD2-N 2.96Å; D193-R195 VanDerWaalsContact OD2-N 3.15Å
196	T	88.6	Confident	94.2	Very high	79 Å²	79	41.5 Å²	41.5	49%	0.485	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-13.7	178.4	60	0	0	0	0	112.8	D193 V198	D193-T196 WeakPolarHBondContact CB-OG1 3.15Å; D193-T196 WeakPolarHBondContact OD2-CB 3.31Å; D193-T196 WeakPolarHBondContact OD2-CG2 3.44Å; D193-T196 PolarHBondContact OD2-N 2.95Å; D193-T196 PolarHBondContact OD2-OG1 3.21Å; T196-V198 PolarHBondContact O-N 3.13Å; T196-V198 VanDerWaalsContact O-N 3.08Å; T196-V198 WeakPolarHBondContact OG1-CB 3.47Å; T196-V198 PolarHBondContact OG1-N 2.79Å
197	S	85.4	Confident	94.1	Very high	61 Å²	61	45.7 Å²	45.7	43%	0.427	22%	0.218	S	C	.	.			trans	63.1	1.4	-172.2	88.8	0	0	0	0	116	R192 D193	R192-S197 VanDerWaalsContact CG-O 3.28Å; R192-S197 WeakPolarHBondContact CG-O 3.48Å; R192-S197 PolarHBondContact NE-O 2.95Å; D193-S197 VanDerWaalsContact O-CA 3.25Å; D193-S197 WeakPolarHBondContact O-CA 3.48Å; D193-S197 PolarHBondContact O-N 3.12Å
198	V	92.8	Very high	93.9	Very high	56 Å²	56	49.7 Å²	49.7	34%	0.339	24%	0.236	S	C	.	.			trans	-66.3	146.6	-179.2	172.3	0	0	0	0	111.3	D43 R192 D193 T196	D43-V198 HydrophobicContact CB-CG1 3.7Å; R192-V198 WeakPolarHBondContact CA-O 3.34Å; D193-V198 PolarHBondContact N-O 3.08Å; T196-V198 PolarHBondContact O-N 3.13Å; T196-V198 VanDerWaalsContact O-N 3.08Å; T196-V198 WeakPolarHBondContact OG1-CB 3.47Å; T196-V198 PolarHBondContact OG1-N 2.79Å
199	F	95.2	Very high	93.8	Very high	16 Å²	16	54 Å²	54	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.7	175.4	-68.8	-98.1	0	0	0	109.5	I44 R46 F175 I190 R192	I44-F199 HydrophobicContact CD1-CB 4.46Å; I44-F199 HydrophobicContact CG1-CB 3.96Å; I44-F199 WeakPolarHBondContact CG1-O 3.46Å; I44-F199 PolarHBondContact N-O 2.78Å; R46-F199 HydrophobicContact CB-CD2 3.76Å; R46-F199 HydrophobicContact CB-CE2 3.61Å; R46-F199 HydrophobicContact CB-CZ 4.29Å; R46-F199 HydrophobicContact CG-CD2 4.13Å; R46-F199 HydrophobicContact CG-CE1 4.43Å; R46-F199 HydrophobicContact CG-CE2 3.58Å; R46-F199 HydrophobicContact CG-CZ 3.76Å; F175-F199 HydrophobicContact CB-CD1 4.26Å; F175-F199 HydrophobicContact CB-CE1 4.01Å; F175-F199 HydrophobicContact CD1-CE1 4.36Å; F175-F199 HydrophobicContact CD2-CE1 4.16Å; F175-F199 HydrophobicContact CG-CD1 4.38Å; F175-F199 AromaticContact CG-CE1 3.91Å; F175-F199 HydrophobicContact CG-CE1 3.91Å; I190-F199 HydrophobicContact CG2-CB 3.99Å; I190-F199 HydrophobicContact CG2-CD1 3.99Å; I190-F199 HydrophobicContact CG2-CG 4.5Å; R192-F199 HydrophobicContact CB-CD1 4.43Å; R192-F199 HydrophobicContact CB-CE1 4.27Å; R192-F199 HydrophobicContact CG-CE1 4.24Å; R192-F199 HydrophobicContact CG-CE2 4.29Å; R192-F199 HydrophobicContact CG-CZ 4.11Å
200	R	95.6	Very high	93.5	Very high	91 Å²	91	57.1 Å²	57.1	34%	0.343	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.8	-179.4	-177.1	170.4	169	148.7	-5.2	110.7	D43 I190 A191 N202	D43-R200 WeakPolarHBondContact OD1-CB 3.4Å; D43-R200 WeakPolarHBondContact OD1-CD 3.4Å; D43-R200 VanDerWaalsContact OD1-CG 3.28Å; D43-R200 WeakPolarHBondContact OD1-CG 3.5Å; I190-R200 WeakPolarHBondContact CA-O 3.49Å; A191-R200 PolarHBondContact N-O 3.45Å; A191-R200 PolarHBondContact O-N 3.09Å; R200-N202 PolarHBondContact NE-OD1 3.33Å
201	C	97	Very high	93.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.7	174.5	-177.5	0	0	0	0	109.4	G41 M42 I44 I60 I190	G41-C201 CarbonylContact C-O 3.43Å; G41-C201 WeakPolarHBondContact CA-O 3.42Å; M42-C201 PolarHBondContact N-O 3.42Å; M42-C201 PolarHBondContact O-N 3.31Å; I44-C201 HydrophobicContact CD1-CB 4.05Å; I44-C201 HydrophobicContact CG1-CB 4.39Å; I44-C201 HydrophobicContact CG2-CB 4.25Å; I60-C201 HydrophobicContact CD1-CB 3.7Å; I190-C201 HydrophobicContact CG1-CB 4.03Å
202	N	97.4	Very high	93.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.2	177.9	-63.4	-69.4	0	0	0	109.3	F38 L167 S188 Y189 R200 F204	F38-N202 HydrophobicContact CE2-CB 4.25Å; L167-N202 HydrophobicContact CD1-CB 4.46Å; L167-N202 WeakPolarHBondContact CD1-OD1 3.46Å; S188-N202 WeakPolarHBondContact CA-O 3.49Å; S188-N202 VanDerWaalsContact CB-O 3.24Å; S188-N202 WeakPolarHBondContact CB-O 3.31Å; Y189-N202 HydrophobicContact CE1-CB 4.02Å; Y189-N202 HydrophobicContact CE2-CB 4.13Å; Y189-N202 WeakPolarHBondContact CE2-ND2 3.22Å; Y189-N202 PolarHBondContact N-O 3.29Å; Y189-N202 PolarHBondContact O-N 2.61Å; Y189-N202 PolarHBondContact OH-ND2 2.71Å; R200-N202 PolarHBondContact NE-OD1 3.33Å; N202-F204 HydrophobicContact CB-CE2 3.76Å; N202-F204 HydrophobicContact CB-CZ 4.12Å; N202-F204 WeakPolarHBondContact O-CD2 3.4Å; N202-F204 VanDerWaalsContact O-CE2 3.3Å; N202-F204 WeakPolarHBondContact O-CE2 3.34Å
203	V	97.8	Very high	93.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137	-169.2	-173.7	0	0	0	0	111.5	F38 V39 G40 M57 I60 R61 I186	F38-V203 WeakPolarHBondContact CD2-O 3.44Å; V39-V203 HydrophobicContact CB-CB 4.22Å; V39-V203 HydrophobicContact CB-CG1 4.19Å; V39-V203 VanDerWaalsContact CB-O 3.29Å; V39-V203 WeakPolarHBondContact CB-O 3.26Å; V39-V203 HydrophobicContact CG2-CG1 4.09Å; V39-V203 PolarHBondContact N-O 2.94Å; G40-V203 PolarHBondContact O-N 3.45Å; M57-V203 HydrophobicContact CG-CG1 3.96Å; M57-V203 HydrophobicContact CG-CG2 3.92Å; I60-V203 HydrophobicContact CB-CG2 3.91Å; I60-V203 HydrophobicContact CD1-CG2 3.83Å; I60-V203 HydrophobicContact CG1-CG2 4.49Å; I60-V203 HydrophobicContact CG2-CB 4.03Å; I60-V203 HydrophobicContact CG2-CG2 3.72Å; R61-V203 HydrophobicContact CG-CG1 4.12Å; I186-V203 HydrophobicContact CG2-CG1 3.77Å
204	F	98.3	Very high	93.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.4	-173.4	-58.3	-94.1	0	0	0	111.3	K37 F38 V74 I76 I85 I186 F187 Y189 N202	K37-F204 CarbonylContact O-C 3.53Å; K37-F204 WeakPolarHBondContact O-CA 3.22Å; F38-F204 HydrophobicContact CB-CD1 4.22Å; F38-F204 HydrophobicContact CB-CE1 4.17Å; F38-F204 AromaticContact CD2-CD1 3.92Å; F38-F204 HydrophobicContact CD2-CD1 3.92Å; F38-F204 AromaticContact CD2-CE1 3.48Å; F38-F204 HydrophobicContact CD2-CE1 3.48Å; F38-F204 VanDerWaalsContact CD2-CE1 3.48Å; F38-F204 HydrophobicContact CD2-CE2 4.43Å; F38-F204 AromaticContact CD2-CZ 3.76Å; F38-F204 HydrophobicContact CD2-CZ 3.76Å; F38-F204 HydrophobicContact CE2-CE1 4.28Å; F38-F204 HydrophobicContact CE2-CZ 4.1Å; F38-F204 HydrophobicContact CG-CE1 4.22Å; V74-F204 HydrophobicContact CG2-CD1 4.24Å; V74-F204 HydrophobicContact CG2-CE1 4.37Å; I76-F204 HydrophobicContact CD1-CD1 3.82Å; I76-F204 HydrophobicContact CD1-CE1 4.05Å; I76-F204 HydrophobicContact CD1-CG 4.26Å; I85-F204 HydrophobicContact CD1-CE1 4.22Å; I85-F204 HydrophobicContact CD1-CZ 3.71Å; I85-F204 HydrophobicContact CG1-CE1 4.14Å; I85-F204 HydrophobicContact CG1-CZ 4.12Å; I85-F204 HydrophobicContact CG2-CE1 4.22Å; I186-F204 WeakPolarHBondContact CA-O 3.36Å; F187-F204 HydrophobicContact CD1-CB 4.15Å; F187-F204 HydrophobicContact CD2-CB 4.12Å; F187-F204 HydrophobicContact CD2-CD2 4.17Å; F187-F204 HydrophobicContact CD2-CG 4.46Å; F187-F204 HydrophobicContact CE1-CB 3.62Å; F187-F204 HydrophobicContact CE2-CB 3.59Å; F187-F204 AromaticContact CE2-CD2 3.71Å; F187-F204 HydrophobicContact CE2-CD2 3.71Å; F187-F204 AromaticContact CE2-CG 3.74Å; F187-F204 HydrophobicContact CE2-CG 3.74Å; F187-F204 HydrophobicContact CG-CB 4.37Å; F187-F204 HydrophobicContact CZ-CB 3.31Å; F187-F204 HydrophobicContact CZ-CD2 4.27Å; F187-F204 AromaticContact CZ-CG 3.81Å; F187-F204 HydrophobicContact CZ-CG 3.81Å; F187-F204 PolarHBondContact N-O 3.4Å; F187-F204 VanDerWaalsContact N-O 3.15Å; F187-F204 PolarHBondContact O-N 2.83Å; Y189-F204 AromaticContact CD1-CE2 3.89Å; Y189-F204 HydrophobicContact CD1-CE2 3.89Å; Y189-F204 AromaticContact CE1-CE2 3.43Å; Y189-F204 HydrophobicContact CE1-CE2 3.43Å; Y189-F204 VanDerWaalsContact CE1-CE2 3.43Å; Y189-F204 AromaticContact CE1-CZ 3.77Å; Y189-F204 HydrophobicContact CE1-CZ 3.77Å; N202-F204 HydrophobicContact CB-CE2 3.76Å; N202-F204 HydrophobicContact CB-CZ 4.12Å; N202-F204 WeakPolarHBondContact O-CD2 3.4Å; N202-F204 VanDerWaalsContact O-CE2 3.3Å; N202-F204 WeakPolarHBondContact O-CE2 3.34Å
205	K	97.6	Very high	94.1	Very high	55 Å²	55	53.6 Å²	53.6	24%	0.239	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.8	166.9	-162.1	171.7	-177.3	77.2	0	110.4	K37 V39 D183 K185 I186	K37-K205 PolarHBondContact N-O 3.47Å; K37-K205 PolarHBondContact O-N 3Å; V39-K205 HydrophobicContact CG2-CB 4.41Å; D183-K205 IonicContact OD1-NZ 3.2Å; D183-K205 PolarHBondContact OD1-NZ 3.22Å; D183-K205 IonicContact OD2-NZ 3.63Å; D183-K205 PolarHBondContact OD2-NZ 2.86Å; K185-K205 HydrophobicContact CB-CG 4.41Å; K185-K205 CarbonylContact O-C 3.52Å; K185-K205 WeakPolarHBondContact O-CA 3.28Å; K185-K205 WeakPolarHBondContact O-CG 3.21Å; I186-K205 HydrophobicContact CD1-CB 3.7Å; I186-K205 HydrophobicContact CD1-CD 3.92Å; I186-K205 HydrophobicContact CD1-CG 3.67Å; I186-K205 HydrophobicContact CG1-CG 4.45Å
206	A	97.1	Very high	94.6	Very high	6 Å²	6	44 Å²	44	5%	0.05	21%	0.211	C	C	.	.			trans	-74.6	175.1	169.2	0	0	0	0	0	111.5	K185 F187 Q211 A212	K185-A206 PolarHBondContact O-N 3.32Å; F187-A206 HydrophobicContact CD1-CB 4.44Å; F187-A206 HydrophobicContact CE1-CB 4.14Å; A206-Q211 HydrophobicContact CB-CB 4.17Å; A206-Q211 HydrophobicContact CB-CG 4.27Å; A206-A212 HydrophobicContact CB-CB 3.86Å
207	Y	94.5	Very high	94.8	Very high	89 Å²	89	43.2 Å²	43.2	35%	0.349	20%	0.199	S	C	.	.	S	Bend	trans	-91.1	-46.6	178.1	-63.8	-100.4	0	0	0	111.9	C35	C35-Y207 HydrophobicContact CB-CD2 4.41Å; C35-Y207 HydrophobicContact CB-CE2 3.9Å; C35-Y207 WeakPolarHBondContact O-CD2 3.46Å; C35-Y207 WeakPolarHBondContact O-CE2 3.44Å
208	K	94.3	Very high	95.3	Very high	89 Å²	89	40.3 Å²	40.3	39%	0.387	18%	0.179	S	C	.	.	S	Bend	trans	-107.5	159	173.8	-67.6	-175.8	175	-176.2	0	111.6	E135 D137 Q211 A212	E135-K208 WeakPolarHBondContact OE1-CE 3.35Å; E135-K208 IonicContact OE1-NZ 3.31Å; E135-K208 PolarHBondContact OE1-NZ 3.18Å; D137-K208 IonicContact OD2-NZ 3.72Å; D137-K208 PolarHBondContact OD2-NZ 2.95Å; K208-Q211 HydrophobicContact CB-CB 4.26Å; K208-Q211 PolarHBondContact O-N 3.25Å; K208-A212 PolarHBondContact O-N 2.94Å
209	K	94.5	Very high	95.5	Very high	92 Å²	92	37.9 Å²	37.9	40%	0.4	17%	0.165	S	C	.	.	H	α-helix	trans	-55.7	-56.1	171.3	166.4	-171.8	168.1	-166.3	0	109.8	L184 Q211 A212 M213	L184-K209 HydrophobicContact CB-CG 4.05Å; L184-K209 HydrophobicContact CD1-CD 4.24Å; L184-K209 HydrophobicContact CD1-CG 4.49Å; K209-Q211 PolarHBondContact O-N 3.47Å; K209-Q211 VanDerWaalsContact O-N 3.11Å; K209-A212 PolarHBondContact O-N 3.46Å; K209-M213 PolarHBondContact O-N 3.01Å; K209-M213 VanDerWaalsContact O-N 3.16Å
210	L	92	Very high	95.5	Very high	71 Å²	71	38.3 Å²	38.3	37%	0.372	17%	0.174	S	C	.	.	H	α-helix	trans	-55.4	-31.1	179.5	-59.9	176.6	0	0	0	113.2	D14 M213 R214	D14-L210 VanDerWaalsContact OD2-CD2 3.28Å; D14-L210 WeakPolarHBondContact OD2-CD2 3.39Å; L210-M213 PolarHBondContact O-N 3.31Å; L210-R214 WeakPolarHBondContact O-CB 3.33Å; L210-R214 VanDerWaalsContact O-CG 3.3Å; L210-R214 WeakPolarHBondContact O-CG 3.38Å; L210-R214 PolarHBondContact O-N 2.89Å
211	Q	93.8	Very high	95.4	Very high	43 Å²	43	35.2 Å²	35.2	20%	0.201	16%	0.163	C	C	.	.	H	α-helix	trans	-69.5	-39.8	177	-171.3	-176.9	40.6	0	0	112.4	C35 A206 K208 K209 I215	C35-Q211 PolarHBondContact O-NE2 3.08Å; A206-Q211 HydrophobicContact CB-CB 4.17Å; A206-Q211 HydrophobicContact CB-CG 4.27Å; K208-Q211 HydrophobicContact CB-CB 4.26Å; K208-Q211 PolarHBondContact O-N 3.25Å; K209-Q211 PolarHBondContact O-N 3.47Å; K209-Q211 VanDerWaalsContact O-N 3.11Å; Q211-I215 HydrophobicContact CG-CD1 4.18Å; Q211-I215 WeakPolarHBondContact O-CD1 3.41Å; Q211-I215 WeakPolarHBondContact O-CG1 3.24Å; Q211-I215 PolarHBondContact O-N 3.33Å
212	A	95.5	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-43.7	173.7	0	0	0	0	0	111	L184 F187 A206 K208 K209 R214 I215 V216	L184-A212 WeakPolarHBondContact O-CB 3.46Å; F187-A212 HydrophobicContact CD1-CB 3.96Å; A206-A212 HydrophobicContact CB-CB 3.86Å; K208-A212 PolarHBondContact O-N 2.94Å; K209-A212 PolarHBondContact O-N 3.46Å; A212-R214 PolarHBondContact O-N 3.34Å; A212-I215 PolarHBondContact O-N 3.23Å; A212-V216 WeakPolarHBondContact O-CG2 3.28Å; A212-V216 PolarHBondContact O-N 3.23Å
213	M	92.6	Very high	95.2	Very high	47 Å²	47	37 Å²	37	23%	0.232	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-45.6	175.8	-66	-62.9	-73.4	0	0	112.2	H179 K209 L210 V216 R217	H179-M213 VanDerWaalsContact CE1-SD 3.59Å; H179-M213 PolarHBondContact ND1-SD 2.85Å; H179-M213 VanDerWaalsContact ND1-SD 3.43Å; K209-M213 PolarHBondContact O-N 3.01Å; K209-M213 VanDerWaalsContact O-N 3.16Å; L210-M213 PolarHBondContact O-N 3.31Å; M213-V216 PolarHBondContact O-N 2.99Å; M213-R217 PolarHBondContact O-N 2.85Å
214	R	94.2	Very high	95	Very high	101 Å²	101	41.4 Å²	41.4	38%	0.381	19%	0.194	S	C	.	.	H	α-helix	trans	-61.1	-43.4	175	-77.7	176.7	65.7	169.2	2.7	112.2	Y23 F34 L210 A212 R217 T218	Y23-R214 PolarHBondContact OH-NH2 2.95Å; F34-R214 HydrophobicContact CE1-CB 4.29Å; L210-R214 WeakPolarHBondContact O-CB 3.33Å; L210-R214 VanDerWaalsContact O-CG 3.3Å; L210-R214 WeakPolarHBondContact O-CG 3.38Å; L210-R214 PolarHBondContact O-N 2.89Å; A212-R214 PolarHBondContact O-N 3.34Å; R214-R217 PolarHBondContact O-N 3.09Å; R214-T218 WeakPolarHBondContact O-CB 3.37Å; R214-T218 PolarHBondContact O-N 3.23Å; R214-T218 PolarHBondContact O-OG1 2.81Å
215	I	96.1	Very high	94.7	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-47.8	176.2	-69.5	162.2	0	0	0	110.7	F34 I78 F187 Q211 A212 R217 T218 V219	F34-I215 HydrophobicContact CB-CD1 3.84Å; F34-I215 HydrophobicContact CB-CG1 3.86Å; F34-I215 HydrophobicContact CD1-CD1 4.09Å; F34-I215 HydrophobicContact CD1-CG1 3.49Å; F34-I215 VanDerWaalsContact CD1-CG1 3.49Å; F34-I215 HydrophobicContact CD2-CG1 3.85Å; F34-I215 HydrophobicContact CE1-CG1 3.91Å; F34-I215 HydrophobicContact CE2-CG1 4.23Å; F34-I215 HydrophobicContact CG-CD1 4.01Å; F34-I215 HydrophobicContact CG-CG1 3.45Å; F34-I215 VanDerWaalsContact CG-CG1 3.45Å; F34-I215 HydrophobicContact CZ-CG1 4.26Å; I78-I215 HydrophobicContact CD1-CG2 4.38Å; F187-I215 HydrophobicContact CD1-CD1 4.45Å; F187-I215 HydrophobicContact CD2-CG2 3.95Å; F187-I215 HydrophobicContact CE1-CD1 3.61Å; F187-I215 HydrophobicContact CE1-CG2 4.43Å; F187-I215 HydrophobicContact CE2-CD1 4.49Å; F187-I215 HydrophobicContact CE2-CG2 3.57Å; F187-I215 HydrophobicContact CZ-CB 4.46Å; F187-I215 HydrophobicContact CZ-CD1 3.63Å; F187-I215 HydrophobicContact CZ-CG2 3.84Å; Q211-I215 HydrophobicContact CG-CD1 4.18Å; Q211-I215 WeakPolarHBondContact O-CD1 3.41Å; Q211-I215 WeakPolarHBondContact O-CG1 3.24Å; Q211-I215 PolarHBondContact O-N 3.33Å; A212-I215 PolarHBondContact O-N 3.23Å; I215-R217 PolarHBondContact O-N 2.98Å; I215-T218 PolarHBondContact O-N 2.84Å; I215-V219 WeakPolarHBondContact O-CG2 3.34Å; I215-V219 PolarHBondContact O-N 2.82Å
216	V	95.7	Very high	94.5	Very high	24 Å²	24	40.4 Å²	40.4	15%	0.145	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-45.6	178.7	174.1	0	0	0	0	111.4	V177 F187 A212 M213 T218 V219 G220	V177-V216 HydrophobicContact CG1-CG1 4.42Å; V177-V216 HydrophobicContact CG2-CG1 4.36Å; V177-V216 HydrophobicContact CG2-CG2 4.25Å; F187-V216 HydrophobicContact CB-CG2 3.94Å; A212-V216 WeakPolarHBondContact O-CG2 3.28Å; A212-V216 PolarHBondContact O-N 3.23Å; M213-V216 PolarHBondContact O-N 2.99Å; V216-T218 VanDerWaalsContact C-N 3.33Å; V216-T218 PolarHBondContact O-N 2.91Å; V216-V219 PolarHBondContact O-N 2.93Å; V216-G220 PolarHBondContact O-N 2.79Å
217	R	94.2	Very high	94.2	Very high	63 Å²	63	44.5 Å²	44.5	24%	0.238	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-38.4	174.4	-74.1	178.6	174.9	152.8	-7.9	112.7	L16 V22 M213 R214 I215 G220 Q221	L16-R217 PolarHBondContact O-NH2 3.26Å; L16-R217 VanDerWaalsContact O-NH2 3.08Å; V22-R217 HydrophobicContact CG2-CB 4.36Å; M213-R217 PolarHBondContact O-N 2.85Å; R214-R217 PolarHBondContact O-N 3.09Å; I215-R217 PolarHBondContact O-N 2.98Å; R217-G220 WeakPolarHBondContact O-CA 3.31Å; R217-G220 PolarHBondContact O-N 2.94Å; R217-Q221 PolarHBondContact O-N 2.91Å
218	T	96.1	Very high	94	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-40	179.9	-50.1	0	0	0	0	111.9	Y23 F28 I32 F34 I78 R214 I215 V216 G220 Q221 A222	Y23-T218 HydrophobicContact CD2-CG2 4.15Å; Y23-T218 HydrophobicContact CE2-CG2 4.19Å; Y23-T218 WeakPolarHBondContact CE2-OG1 3.29Å; F28-T218 HydrophobicContact CE1-CG2 3.85Å; F28-T218 WeakPolarHBondContact CE1-O 3.42Å; F28-T218 HydrophobicContact CZ-CG2 4.11Å; I32-T218 HydrophobicContact CB-CG2 4.19Å; I32-T218 HydrophobicContact CD1-CG2 3.45Å; I32-T218 VanDerWaalsContact CD1-CG2 3.45Å; I32-T218 HydrophobicContact CG1-CG2 4.43Å; I32-T218 HydrophobicContact CG2-CG2 4.28Å; F34-T218 HydrophobicContact CE2-CG2 4.06Å; F34-T218 HydrophobicContact CZ-CG2 4.45Å; F34-T218 WeakPolarHBondContact CZ-OG1 3.13Å; I78-T218 HydrophobicContact CB-CG2 4.33Å; I78-T218 HydrophobicContact CD1-CG2 3.92Å; I78-T218 HydrophobicContact CG2-CG2 4.23Å; R214-T218 WeakPolarHBondContact O-CB 3.37Å; R214-T218 PolarHBondContact O-N 3.23Å; R214-T218 PolarHBondContact O-OG1 2.81Å; I215-T218 PolarHBondContact O-N 2.84Å; V216-T218 VanDerWaalsContact C-N 3.33Å; V216-T218 PolarHBondContact O-N 2.91Å; T218-G220 VanDerWaalsContact C-N 3.31Å; T218-Q221 PolarHBondContact O-N 3.17Å; T218-A222 WeakPolarHBondContact O-CB 3.47Å; T218-A222 PolarHBondContact O-N 2.84Å
219	V	96.6	Very high	93.8	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-37.3	171.1	-179.7	0	0	0	0	110.6	I78 V83 V177 I215 V216 A222 F223	I78-V219 HydrophobicContact CD1-CG2 3.59Å; I78-V219 HydrophobicContact CG1-CG2 4.26Å; V83-V219 HydrophobicContact CG2-CG2 4.29Å; V177-V219 HydrophobicContact CB-CB 4.45Å; V177-V219 HydrophobicContact CB-CG1 4.04Å; V177-V219 HydrophobicContact CG1-CB 4.2Å; V177-V219 HydrophobicContact CG1-CG1 3.95Å; V177-V219 HydrophobicContact CG2-CB 4.07Å; V177-V219 HydrophobicContact CG2-CG1 4.09Å; V177-V219 HydrophobicContact CG2-CG2 4.38Å; I215-V219 WeakPolarHBondContact O-CG2 3.34Å; I215-V219 PolarHBondContact O-N 2.82Å; V216-V219 PolarHBondContact O-N 2.93Å; V219-A222 WeakPolarHBondContact O-CB 3.31Å; V219-A222 PolarHBondContact O-N 3.43Å; V219-F223 HydrophobicContact CG1-CD2 4.45Å; V219-F223 HydrophobicContact CG1-CE2 3.83Å; V219-F223 HydrophobicContact CG1-CZ 4.34Å; V219-F223 WeakPolarHBondContact O-CD2 3.12Å; V219-F223 PolarHBondContact O-N 3.05Å
220	G	94.8	Very high	93.5	Very high	25 Å²	25	40.9 Å²	40.9	26%	0.258	21%	0.205	S	C	.	.	H	α-helix	trans	-50.8	-58.8	170.5	0	0	0	0	0	112.2	V216 R217 T218 A222 F223 D224	V216-G220 PolarHBondContact O-N 2.79Å; R217-G220 WeakPolarHBondContact O-CA 3.31Å; R217-G220 PolarHBondContact O-N 2.94Å; T218-G220 VanDerWaalsContact C-N 3.31Å; G220-A222 VanDerWaalsContact C-N 3.29Å; G220-A222 PolarHBondContact O-N 3.17Å; G220-F223 VanDerWaalsContact O-CB 3.31Å; G220-F223 WeakPolarHBondContact O-CB 3.47Å; G220-F223 PolarHBondContact O-N 3.12Å; G220-D224 PolarHBondContact O-N 3.46Å
221	Q	93.8	Very high	93.4	Very high	25 Å²	25	41.8 Å²	41.8	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-29.5	-179.3	-74.2	157.4	8.4	0	0	113	I20 V22 F28 R217 T218 F223 D224 V225	I20-Q221 PolarHBondContact O-NE2 3.5Å; V22-Q221 VanDerWaalsContact N-NE2 3.17Å; F28-Q221 HydrophobicContact CE2-CB 4.27Å; F28-Q221 HydrophobicContact CZ-CB 3.71Å; R217-Q221 PolarHBondContact O-N 2.91Å; T218-Q221 PolarHBondContact O-N 3.17Å; Q221-F223 VanDerWaalsContact C-N 3.27Å; Q221-F223 PolarHBondContact O-N 2.81Å; Q221-D224 PolarHBondContact O-N 2.84Å; Q221-V225 VanDerWaalsContact O-CG2 3.28Å; Q221-V225 WeakPolarHBondContact O-CG2 3.23Å; Q221-V225 PolarHBondContact O-N 3.39Å
222	A	95.8	Very high	93.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-33.1	171.4	0	0	0	0	0	112.6	F28 I78 I171 T218 V219 G220 C226	F28-A222 HydrophobicContact CD1-CB 4.04Å; F28-A222 HydrophobicContact CE1-CB 3.8Å; I78-A222 HydrophobicContact CG2-CB 3.83Å; I171-A222 HydrophobicContact CD1-CB 3.71Å; I171-A222 HydrophobicContact CG1-CB 4.19Å; T218-A222 WeakPolarHBondContact O-CB 3.47Å; T218-A222 PolarHBondContact O-N 2.84Å; V219-A222 WeakPolarHBondContact O-CB 3.31Å; V219-A222 PolarHBondContact O-N 3.43Å; G220-A222 VanDerWaalsContact C-N 3.29Å; G220-A222 PolarHBondContact O-N 3.17Å; A222-C226 WeakPolarHBondContact O-CB 3.36Å; A222-C226 PolarHBondContact O-N 2.85Å
223	F	94.8	Very high	92.5	Very high	37 Å²	37	53 Å²	53	16%	0.162	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-48.7	171.2	-68.5	-70.6	0	0	0	111.5	I171 I174 V177 V219 G220 Q221 V225 C226 H227	I171-F223 HydrophobicContact CG2-CB 4.44Å; I171-F223 HydrophobicContact CG2-CD1 3.42Å; I171-F223 VanDerWaalsContact CG2-CD1 3.42Å; I171-F223 HydrophobicContact CG2-CE1 3.9Å; I171-F223 HydrophobicContact CG2-CG 4.06Å; I171-F223 WeakPolarHBondContact O-CE1 3.4Å; I174-F223 HydrophobicContact CB-CE1 3.99Å; I174-F223 HydrophobicContact CB-CZ 3.76Å; I174-F223 HydrophobicContact CG2-CE1 4.49Å; I174-F223 HydrophobicContact CG2-CZ 3.77Å; I174-F223 WeakPolarHBondContact O-CE1 3.19Å; I174-F223 VanDerWaalsContact O-CZ 3.29Å; I174-F223 WeakPolarHBondContact O-CZ 3.47Å; V177-F223 HydrophobicContact CG1-CE2 4.11Å; V219-F223 HydrophobicContact CG1-CD2 4.45Å; V219-F223 HydrophobicContact CG1-CE2 3.83Å; V219-F223 HydrophobicContact CG1-CZ 4.34Å; V219-F223 WeakPolarHBondContact O-CD2 3.12Å; V219-F223 PolarHBondContact O-N 3.05Å; G220-F223 VanDerWaalsContact O-CB 3.31Å; G220-F223 WeakPolarHBondContact O-CB 3.47Å; G220-F223 PolarHBondContact O-N 3.12Å; Q221-F223 VanDerWaalsContact C-N 3.27Å; Q221-F223 PolarHBondContact O-N 2.81Å; F223-V225 VanDerWaalsContact C-N 3.33Å; F223-V225 PolarHBondContact O-N 3.5Å; F223-C226 PolarHBondContact O-N 2.82Å; F223-H227 VanDerWaalsContact O-CB 3.23Å; F223-H227 WeakPolarHBondContact O-CB 3.41Å; F223-H227 PolarHBondContact O-N 3Å
224	D	93.1	Very high	91.7	Very high	93 Å²	93	56.7 Å²	56.7	50%	0.497	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-42.8	-178.8	-59.5	-53	0	0	0	111.4	G220 Q221 R228	G220-D224 PolarHBondContact O-N 3.46Å; Q221-D224 PolarHBondContact O-N 2.84Å; D224-R228 WeakPolarHBondContact O-CG 3.34Å; D224-R228 PolarHBondContact O-N 2.9Å; D224-R228 PolarHBondContact O-NH1 3.26Å; D224-R228 VanDerWaalsContact O-NH1 3.1Å
225	V	92.1	Very high	90.2	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-50.7	175.3	173.4	0	0	0	0	111	F28 A80 Q221 F223 H227 R228 I229	F28-V225 HydrophobicContact CB-CG1 4.33Å; F28-V225 HydrophobicContact CD2-CG2 3.92Å; F28-V225 HydrophobicContact CE2-CG2 4.19Å; F28-V225 HydrophobicContact CG-CG2 4.33Å; A80-V225 HydrophobicContact CB-CG1 3.86Å; Q221-V225 VanDerWaalsContact O-CG2 3.28Å; Q221-V225 WeakPolarHBondContact O-CG2 3.23Å; Q221-V225 PolarHBondContact O-N 3.39Å; F223-V225 VanDerWaalsContact C-N 3.33Å; F223-V225 PolarHBondContact O-N 3.5Å; V225-H227 VanDerWaalsContact C-N 3.29Å; V225-H227 PolarHBondContact O-N 2.96Å; V225-R228 PolarHBondContact O-N 2.77Å; V225-I229 HydrophobicContact CG1-CD1 3.77Å; V225-I229 WeakPolarHBondContact O-CG1 3.39Å; V225-I229 PolarHBondContact O-N 3.31Å
226	C	93.1	Very high	88.1	Confident	27 Å²	27	62.7 Å²	62.7	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-38.2	179.8	-165.8	0	0	0	0	111.7	A80 I171 A222 F223 I229 A230	A80-C226 PolarHBondContact O-SG 3.42Å; A80-C226 VanDerWaalsContact O-SG 3.36Å; I171-C226 HydrophobicContact CB-CB 3.99Å; I171-C226 HydrophobicContact CG1-CB 4.43Å; I171-C226 HydrophobicContact CG2-CB 3.71Å; A222-C226 WeakPolarHBondContact O-CB 3.36Å; A222-C226 PolarHBondContact O-N 2.85Å; F223-C226 PolarHBondContact O-N 2.82Å; C226-I229 PolarHBondContact O-N 3.47Å; C226-A230 WeakPolarHBondContact O-CB 3.14Å; C226-A230 PolarHBondContact O-N 2.79Å
227	H	91.2	Very high	85.5	Confident	92 Å²	92	69.4 Å²	69.4	43%	0.426	36%	0.356	S	S	.	.	H	α-helix	trans	-65.8	-45	176.5	-174.6	-95.4	0	0	0	112.3	F223 V225 I229 A230 L231	F223-H227 VanDerWaalsContact O-CB 3.23Å; F223-H227 WeakPolarHBondContact O-CB 3.41Å; F223-H227 PolarHBondContact O-N 3Å; V225-H227 VanDerWaalsContact C-N 3.29Å; V225-H227 PolarHBondContact O-N 2.96Å; H227-I229 PolarHBondContact O-N 3.3Å; H227-A230 WeakPolarHBondContact O-CB 3.45Å; H227-A230 PolarHBondContact O-N 3.27Å; H227-L231 WeakPolarHBondContact O-CG 3.46Å; H227-L231 PolarHBondContact O-N 3.09Å
228	R	90.7	Very high	82.7	Confident	96 Å²	96	71.1 Å²	71.1	36%	0.362	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-42.9	174.6	-71.5	-168.6	-53.1	-78.3	5.1	112.1	D25 D224 V225 A230 L231 Q232	D25-R228 IonicContact OD1-NH2 2.65Å; D25-R228 PolarHBondContact OD1-NH2 3.21Å; D25-R228 IonicContact OD2-CZ 3.16Å; D25-R228 IonicContact OD2-NE 2.91Å; D25-R228 IonicContact OD2-NH2 2.78Å; D25-R228 PolarHBondContact OD2-NH2 2.84Å; D224-R228 WeakPolarHBondContact O-CG 3.34Å; D224-R228 PolarHBondContact O-N 2.9Å; D224-R228 PolarHBondContact O-NH1 3.26Å; D224-R228 VanDerWaalsContact O-NH1 3.1Å; V225-R228 PolarHBondContact O-N 2.77Å; R228-A230 VanDerWaalsContact C-N 3.29Å; R228-A230 PolarHBondContact O-N 3.38Å; R228-L231 PolarHBondContact O-N 2.89Å; R228-Q232 WeakPolarHBondContact O-CG 3.2Å; R228-Q232 PolarHBondContact O-N 2.69Å
229	I	89	Confident	79.7	Confident	58 Å²	58	80.5 Å²	80.5	30%	0.297	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-35.8	176.1	-66.4	166.2	0	0	0	111.3	A80 V225 C226 H227 K233	A80-I229 HydrophobicContact CB-CD1 3.94Å; V225-I229 HydrophobicContact CG1-CD1 3.77Å; V225-I229 WeakPolarHBondContact O-CG1 3.39Å; V225-I229 PolarHBondContact O-N 3.31Å; C226-I229 PolarHBondContact O-N 3.47Å; H227-I229 PolarHBondContact O-N 3.3Å; I229-K233 HydrophobicContact CG2-CD 4.39Å; I229-K233 WeakPolarHBondContact O-CG 3.49Å; I229-K233 PolarHBondContact O-N 3.43Å
230	A	89.2	Confident	76.7	Confident	40 Å²	40	86 Å²	86	33%	0.331	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-41.5	175.7	0	0	0	0	0	112.4	C226 H227 R228 K233 Q234	C226-A230 WeakPolarHBondContact O-CB 3.14Å; C226-A230 PolarHBondContact O-N 2.79Å; H227-A230 WeakPolarHBondContact O-CB 3.45Å; H227-A230 PolarHBondContact O-N 3.27Å; R228-A230 VanDerWaalsContact C-N 3.29Å; R228-A230 PolarHBondContact O-N 3.38Å; A230-K233 PolarHBondContact O-N 2.94Å; A230-Q234 PolarHBondContact O-N 3.04Å
231	L	89.9	Confident	73.6	Confident	90 Å²	90	90.9 Å²	90.9	47%	0.471	48%	0.478	S	S	.	.	H	α-helix	trans	-65.2	-44.3	175.1	-68.8	174.6	0	0	0	112.1	H227 R228 K233 Q234 G235	H227-L231 WeakPolarHBondContact O-CG 3.46Å; H227-L231 PolarHBondContact O-N 3.09Å; R228-L231 PolarHBondContact O-N 2.89Å; L231-K233 PolarHBondContact O-N 3.11Å; L231-Q234 WeakPolarHBondContact O-CB 3.44Å; L231-Q234 PolarHBondContact O-N 3.15Å; L231-G235 PolarHBondContact O-N 3.49Å
232	Q	88	Confident	70.8	Confident	123 Å²	123	98.8 Å²	98.8	58%	0.575	52%	0.515	S	S	*	.	H	α-helix	trans	-57.3	-39.3	177.5	-75.1	170.3	-24.3	0	0	112	R228 Q234 G235 Q236	R228-Q232 WeakPolarHBondContact O-CG 3.2Å; R228-Q232 PolarHBondContact O-N 2.69Å; Q232-Q234 PolarHBondContact O-N 2.87Å; Q232-G235 PolarHBondContact O-N 2.67Å; Q232-Q236 PolarHBondContact O-N 2.76Å
233	K	82.4	Confident	67.7	Low	155 Å²	155	105.7 Å²	105.7	67%	0.674	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-13.3	176	-71.6	177	179.3	-174.6	0	114.7	I229 A230 L231	I229-K233 HydrophobicContact CG2-CD 4.39Å; I229-K233 WeakPolarHBondContact O-CG 3.49Å; I229-K233 PolarHBondContact O-N 3.43Å; A230-K233 PolarHBondContact O-N 2.94Å; L231-K233 PolarHBondContact O-N 3.11Å
234	Q	75.7	Confident	65	Low	126 Å²	126	110.7 Å²	110.7	59%	0.589	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-25.6	172.4	-70.1	174.9	-22.6	0	0	112	A230 L231 Q232	A230-Q234 PolarHBondContact O-N 3.04Å; L231-Q234 WeakPolarHBondContact O-CB 3.44Å; L231-Q234 PolarHBondContact O-N 3.15Å; Q232-Q234 PolarHBondContact O-N 2.87Å
235	G	61.5	Low	62.4	Low	68 Å²	68	113.1 Å²	113.1	70%	0.701	59%	0.594	S	S	*	*	S	Bend	trans	-90	3.4	175.8	0	0	0	0	0	115.4	L231 Q232	L231-G235 PolarHBondContact O-N 3.49Å; Q232-G235 PolarHBondContact O-N 2.67Å
236	Q	53.2	Low	59.7	Low	162 Å²	162	121.2 Å²	121.2	76%	0.757	64%	0.637	S	S	*	*			trans	-128	58.5	-179.8	-69	-172.9	-32.6	0	0	111.4	Q232	Q232-Q236 PolarHBondContact O-N 2.76Å
237	Q	39.9	Very low	57	Low	164 Å²	164	123 Å²	123	77%	0.766	66%	0.66	S	S	*	*			trans	-80.5	151	151.1	-73.8	-73.7	21.5	0	0	108.6	E239	Q237-E239 PolarHBondContact O-N 3.1Å
238	P	36.7	Very low	54.4	Low	100 Å²	100	125.4 Å²	125.4	65%	0.649	68%	0.676	S	S	*	*			trans	-79.1	125.5	-163.5	29.7	-34.9	0	0	0	113.3	T240	P238-T240 PolarHBondContact O-N 2.96Å
239	E	32	Very low	51.8	Low	197 Å²	197	126.9 Å²	126.9	92%	0.921	69%	0.691	S	S	*	*			trans	-71.5	101.1	152.9	-72.4	-179.7	-162.5	0	0	108.2	Q237	Q237-E239 PolarHBondContact O-N 3.1Å
240	T	33.5	Very low	49.5	Very low	121 Å²	121	128.8 Å²	128.8	74%	0.742	71%	0.705	S	S	*	*			trans	-77.5	125.6	170.7	40.5	0	0	0	0	110.4	P238 E242	P238-T240 PolarHBondContact O-N 2.96Å; T240-E242 PolarHBondContact O-N 3.3Å; T240-E242 VanDerWaalsContact O-N 3.13Å
241	T	30.9	Very low	46.9	Very low	128 Å²	128	132.9 Å²	132.9	79%	0.785	72%	0.721	S	S	*	*			trans	-60.9	104.9	-174.4	-49.7	0	0	0	0	114.2
242	E	34.5	Very low	44.4	Very low	190 Å²	190	136.5 Å²	136.5	89%	0.888	74%	0.736	S	S	*	*			trans	-120.4	49.6	159.6	-69.7	-159	167.4	0	0	112	T240 N244	T240-E242 PolarHBondContact O-N 3.3Å; T240-E242 VanDerWaalsContact O-N 3.13Å; E242-N244 PolarHBondContact O-N 3.48Å
243	N	31.3	Very low	41.8	Very low	146 Å²	146	136 Å²	136	78%	0.781	74%	0.737	S	S	*	*			trans	-83.1	93	167.3	-88.6	-37.3	0	0	0	110.4
244	N	37.3	Very low	39.6	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	74%	0.742	S	S	*	*			trans	-149.5	98.9	164.3	-102.5	-48.9	0	0	0	113.5	E242	E242-N244 PolarHBondContact O-N 3.48Å
245	N	38.4	Very low	37.8	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	75%	0.751	S	S	*	*			trans	71.7	85	148.6	-47.9	-48.8	0	0	0	119.3
246	N	35	Very low	36.6	Very low	177 Å²	177	139 Å²	139	95%	0.947	75%	0.748	S	S	*	*			trans	-66.9	146	150.7	-92.6	-27.3	0	0	0	111.3
247	G	37	Very low	35.6	Very low	65 Å²	65	138 Å²	138	67%	0.67	75%	0.749	S	S	*	*			trans	169.3	75.4	170.5	0	0	0	0	0	117.5
248	N	36.9	Very low	35.5	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	75%	0.754	S	S	*	*				42.4	140.1	129.8	-56.2	20.9	0	0	0	119.2
249	N	35.6	Very low	35.3	Very low	126 Å²	126	140.2 Å²	140.2	67%	0.674	75%	0.754	S	S	*	*			cis	-176.8	173.6	13.7	-121.3	24.4	0	0	0	109.2
250	V	39.9	Very low	35.3	Very low	99 Å²	99	136.9 Å²	136.9	60%	0.6	74%	0.743	S	S	*	*			trans	68.9	136.9	142.5	158.7	0	0	0	0	118.5
251	D	35.6	Very low	35.3	Very low	125 Å²	125	137 Å²	137	67%	0.668	74%	0.738	S	S	*	*			cis	-165.6	163.1	-12.9	-95.9	-17.1	0	0	0	108.8
252	E	37.4	Very low	35.2	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	73%	0.731	S	S	*	*			trans	56.1	153.7	145.4	-73.5	-170	-176.6	0	0	121.6
253	N	33.8	Very low	35.2	Very low	112 Å²	112	135.3 Å²	135.3	60%	0.599	72%	0.718	S	S	*	*			cis	-161.9	171.9	-3.3	-125.4	-29.8	0	0	0	112.7
254	N	35.2	Very low	35.3	Very low	144 Å²	144	133.1 Å²	133.1	77%	0.77	72%	0.715	S	S	*	*			trans	81	106.5	153.9	-59.7	-20.6	0	0	0	123.5
255	E	37.5	Very low	35.2	Very low	167 Å²	167	131.8 Å²	131.8	78%	0.78	71%	0.707	S	S	*	*			trans	-46.3	-172.6	135.8	-71.2	-75.6	-178.1	0	0	115
256	P	37	Very low	35.1	Very low	101 Å²	101	133 Å²	133	66%	0.656	71%	0.706	S	S	*	*			cis	-136.9	175.8	0.2	17.9	9.7	0	0	0	118.2
257	D	33.3	Very low	35	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	70%	0.7	S	S	*	*			trans	39.8	129.9	139.5	-59.8	-37.8	0	0	0	123.3
258	Q	37.6	Very low	34.6	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	70%	0.701	S	S	*	*				164.1	144.2	119.1	-91	-176.4	-0.9	0	0	108.7
259	D	31.1	Very low	34.2	Very low	124 Å²	124	135.4 Å²	135.4	66%	0.663	70%	0.704	S	S	*	*			cis	168.8	171.4	-11.7	-144	-18.7	0	0	0	104.2
260	N	32.6	Very low	33.9	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	71%	0.71	S	S	*	*			trans	66.1	151.8	156.5	-65.5	-43.3	0	0	0	119
261	I	33	Very low	33.4	Very low	124 Å²	124	138.1 Å²	138.1	64%	0.636	72%	0.72	S	S	*	*			cis	-159.1	138.5	-12.9	-120.8	166.1	0	0	0	111
262	E	30.1	Very low	33	Very low	136 Å²	136	138 Å²	138	64%	0.636	72%	0.724	S	S	*	*			trans	53.8	179.5	155.4	-54.8	-178	106.9	0	0	118.8
263	K	34.8	Very low	32.7	Very low	145 Å²	145	137.2 Å²	137.2	63%	0.63	72%	0.723	S	S	*	*			cis	-155.9	141.9	4.1	-145.1	146.6	-169.4	147.8	0	111.7
264	S	32.3	Very low	32.6	Very low	100 Å²	100	138.1 Å²	138.1	70%	0.699	73%	0.728	S	S	*	*			trans	65.7	151.6	143.9	76.1	0	0	0	0	119.3
265	D	35.1	Very low	32.5	Very low	113 Å²	113	138.9 Å²	138.9	60%	0.604	73%	0.727	S	S	*	*			cis	-170.3	167.3	-11.8	-121.3	-38	0	0	0	111.8
266	K	35.9	Very low	32.1	Very low	169 Å²	169	136.5 Å²	136.5	74%	0.735	72%	0.724	S	S	*	*			trans	47.2	130.3	146.2	-62.2	153.3	-169.3	141.3	0	118
267	K	32.6	Very low	31.7	Very low	189 Å²	189	137.9 Å²	137.9	82%	0.822	73%	0.726	S	S	*	*			cis	-169.4	120.7	37	-164	170.4	178.7	-178.7	0	112.5
268	T	28.5	Very low	31.5	Very low	114 Å²	114	135.4 Å²	135.4	70%	0.699	72%	0.719	S	S	*	*				24.9	116.9	122.1	-32.6	0	0	0	0	119.2
269	T	30.2	Very low	31.1	Very low	134 Å²	134	131.1 Å²	131.1	82%	0.822	71%	0.71	S	S	*	*				-171.9	147.1	102.7	28.5	0	0	0	0	112.1
270	N	28.3	Very low	31.1	Very low	150 Å²	150	131.6 Å²	131.6	80%	0.802	71%	0.713	S	S	*	*			trans	-86.1	159.3	175.2	-51.4	-23.2	0	0	0	110.7
271	T	30.4	Very low	30.9	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	72%	0.72	S	S	*	*				160.1	134.3	114.5	-64.7	0	0	0	0	112
272	T	26.7	Very low	30.9	Very low	123 Å²	123	135.9 Å²	135.9	76%	0.755	73%	0.727	S	S	*	*			trans	-26.3	136.3	162	-46.8	0	0	0	0	117
273	I	31.8	Very low	31	Very low	149 Å²	149	135.4 Å²	135.4	76%	0.764	73%	0.729	S	S	*	*			trans	-163.8	133.6	140.5	-105.9	153.2	0	0	0	110.1
274	N	31	Very low	31	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	74%	0.735	S	S	*	*			trans	55.8	120.3	161.1	-63.9	-2.1	0	0	0	119.6
275	H	32.8	Very low	31	Very low	160 Å²	160	134.2 Å²	134.2	74%	0.741	73%	0.728	S	S	*	*				71.3	127.1	75.7	-98.8	-91.2	0	0	0	114.6
276	T	28.7	Very low	30.8	Very low	116 Å²	116	135.2 Å²	135.2	71%	0.712	73%	0.733	S	S	*	*			trans	63.5	149.3	152.2	59	0	0	0	0	117.7
277	D	29.4	Very low	30.7	Very low	131 Å²	131	136.2 Å²	136.2	70%	0.701	74%	0.738	S	S	*	*			cis	-154.5	163.5	-17.3	-129.8	-53.2	0	0	0	111.4
278	S	29.8	Very low	30.5	Very low	90 Å²	90	133.2 Å²	133.2	63%	0.629	73%	0.73	S	S	*	*			trans	18	111.9	144.8	-59.1	0	0	0	0	121.1
279	S	28.9	Very low	30.5	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	73%	0.73	S	S	*	*				83	159.5	125	78.4	0	0	0	0	122.1
280	N	30.3	Very low	30.6	Very low	133 Å²	133	134.9 Å²	134.9	71%	0.711	73%	0.726	S	S	*	*			trans	75.8	115.1	171.2	-53.7	-50.3	0	0	0	114.8
281	K	28.7	Very low	30.7	Very low	190 Å²	190	134.9 Å²	134.9	83%	0.826	72%	0.721	S	S	*	*				81.6	161.6	64.5	-86.2	-166.3	169.3	-168.7	0	112.4
282	L	31.8	Very low	30.6	Very low	151 Å²	151	134.9 Å²	134.9	79%	0.791	72%	0.716	S	S	*	*			trans	77.5	135.7	-171.8	-43	171.8	0	0	0	112.5
283	D	33.3	Very low	30.8	Very low	126 Å²	126	132.3 Å²	132.3	67%	0.674	71%	0.714	S	S	*	*			cis	-160.7	179.6	-21.8	-112.3	-8.7	0	0	0	109.5
284	D	35.7	Very low	30.8	Very low	141 Å²	141	132 Å²	132	75%	0.754	71%	0.713	S	S	*	*			trans	8.9	145	145.3	-68.8	-13.1	0	0	0	120.2
285	S	32.2	Very low	30.8	Very low	80 Å²	80	131.6 Å²	131.6	56%	0.559	71%	0.711	S	S	*	*			cis	175.7	-179.2	-5.7	55.8	0	0	0	0	108.1
286	N	29.7	Very low	30.7	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	71%	0.705	S	S	*	*			trans	65.4	129.1	146.6	-78.3	-58.9	0	0	0	121.5
287	K	33.6	Very low	31	Very low	189 Å²	189	130.4 Å²	130.4	82%	0.822	70%	0.701	S	S	*	*			trans	72.6	156.9	147.5	-71.3	-175.6	175.5	177.1	0	119.4
288	L	28.4	Very low	31	Very low	127 Å²	127	130.9 Å²	130.9	67%	0.665	70%	0.699	S	S	*	*			cis	178	111.4	-28.4	171.5	70.9	0	0	0	106.8
289	T	29.1	Very low	31.1	Very low	115 Å²	115	134.8 Å²	134.8	71%	0.706	70%	0.704	S	S	*	*			trans	61.4	168.4	169.7	67.3	0	0	0	0	114
290	K	31.6	Very low	31	Very low	168 Å²	168	135.6 Å²	135.6	73%	0.73	71%	0.705	S	S	*	*			cis	-146.1	155.2	19.7	-76.9	-173	176.2	-178.9	0	112.1
291	H	31.7	Very low	30.9	Very low	150 Å²	150	138.3 Å²	138.3	69%	0.694	71%	0.711	S	S	*	*			trans	65.6	156.7	138.7	-80.3	-133.9	0	0	0	119.4
292	N	28.5	Very low	30.8	Very low	130 Å²	130	134 Å²	134	70%	0.695	71%	0.705	S	S	*	*			cis	-167.1	135.3	-36.4	-116.4	21.1	0	0	0	106.4
293	G	30.7	Very low	30.7	Very low	69 Å²	69	135.9 Å²	135.9	71%	0.711	71%	0.707	S	S	*	*			trans	67.3	-176.5	161.4	0	0	0	0	0	116.6
294	D	30.8	Very low	30.4	Very low	142 Å²	142	137 Å²	137	76%	0.759	71%	0.708	S	S	*	*			cis	-154.6	163.3	-5.5	-131.9	-24.8	0	0	0	113.9
295	L	31.6	Very low	30.1	Very low	125 Å²	125	137.8 Å²	137.8	65%	0.654	70%	0.704	S	S	*	*			trans	55	123.1	152.1	-67.5	162.7	0	0	0	119.6
296	N	30.6	Very low	30	Very low	117 Å²	117	141.2 Å²	141.2	63%	0.626	71%	0.709	S	S	*	*			trans	80.4	151.2	132	-68.2	-17.1	0	0	0	119
297	H	34.4	Very low	29.9	Very low	134 Å²	134	141.2 Å²	141.2	62%	0.62	70%	0.703	S	S	*	*			cis	-154.6	138.3	2.3	-126.9	-1	0	0	0	114.9
298	H	30.6	Very low	29.9	Very low	141 Å²	141	139.4 Å²	139.4	65%	0.653	70%	0.697	S	S	*	*			trans	65.5	150	131.6	-93	-27.6	0	0	0	124.7
299	K	30.1	Very low	30.2	Very low	172 Å²	172	140.3 Å²	140.3	75%	0.748	70%	0.698	S	S	*	*			trans	73.7	96.9	154.5	-71.3	164.4	-175.8	171.9	0	116.3
300	T	26.7	Very low	30.4	Very low	113 Å²	113	143.7 Å²	143.7	69%	0.693	70%	0.703	S	S	*	*				74.6	145.6	54	79.2	0	0	0	0	115.9
301	K	28.3	Very low	30.2	Very low	191 Å²	191	140.6 Å²	140.6	83%	0.83	70%	0.698	S	S	*	*			trans	84.2	116	175.5	-54	169.1	-173.9	-179.8	0	112.7
302	S	28	Very low	30.3	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	70%	0.701	S	S	*	*				79.9	93.2	50.1	-174.1	0	0	0	0	113.6
303	K	29.7	Very low	30.3	Very low	190 Å²	190	143 Å²	143	83%	0.826	71%	0.705	S	S	*	*				-167.5	142.6	116.2	-88.3	140.1	-169.6	-179.9	0	108.2
304	H	27.6	Very low	30.4	Very low	150 Å²	150	148.1 Å²	148.1	69%	0.694	71%	0.711	S	S	*	*			cis	92.4	123.3	30.9	-178.8	46.8	0	0	0	113
305	K	28.6	Very low	30.3	Very low	156 Å²	156	148 Å²	148	68%	0.678	71%	0.706	S	S	*	*			trans	81.7	154.2	178.4	-51.6	-176.6	-176.9	179.8	0	115
306	F	29	Very low	30.2	Very low	152 Å²	152	149.6 Å²	149.6	67%	0.667	71%	0.708	S	S	*	*			cis	-155.4	135.9	-11.6	-121.2	-150.9	0	0	0	105.5
307	K	29.3	Very low	30	Very low	135 Å²	135	150.4 Å²	150.4	59%	0.587	72%	0.717	S	S	*	*				66.1	106.4	68.8	-171.6	-167.7	-178.6	-178.1	0	115	H309	K307-H309 WeakPolarHBondContact CE-NE2 3.27Å
308	Q	33.7	Very low	29.8	Very low	151 Å²	151	150.1 Å²	150.1	71%	0.706	72%	0.724	S	S	*	*			trans	-166.7	130.7	135.8	-99.4	151.5	114.9	0	0	108.2
309	H	33.9	Very low	29.5	Very low	146 Å²	146	150.1 Å²	150.1	68%	0.676	73%	0.729	S	S	*	*				65.4	146.7	73.8	-67.7	-59.4	0	0	0	112.3	K307	K307-H309 WeakPolarHBondContact CE-NE2 3.27Å
310	K	32.4	Very low	29.4	Very low	186 Å²	186	147.2 Å²	147.2	81%	0.809	72%	0.721	S	S	*	*			cis	-164.8	163.2	20.9	-133.2	-174.1	179.3	-179	0	106.6
311	T	29	Very low	29.6	Very low	102 Å²	102	147.5 Å²	147.5	63%	0.626	71%	0.712	S	S	*	*			cis	-161	-178.6	4.5	-25.5	0	0	0	0	109.8
312	I	33.7	Very low	29.7	Very low	150 Å²	150	144.8 Å²	144.8	77%	0.769	71%	0.707	S	S	*	*			trans	76.3	102.8	157.8	-59.1	141.7	0	0	0	115.1
313	K	28.8	Very low	29.9	Very low	180 Å²	180	144.6 Å²	144.6	78%	0.783	70%	0.698	S	S	*	*			cis	65.4	95.1	17.5	-81.6	-158.7	174.1	-158.4	0	117.2
314	Q	32.7	Very low	30	Very low	178 Å²	178	144.2 Å²	144.2	83%	0.832	69%	0.692	S	S	*	*				-173	130.9	119.9	-94.2	150.1	25	0	0	108.1
315	E	27.1	Very low	30.2	Very low	138 Å²	138	145.2 Å²	145.2	65%	0.645	69%	0.694	S	S	*	*			cis	90.6	138.6	34.1	-165.9	-161.9	-88.9	0	0	113.2
316	K	30.5	Very low	30.2	Very low	160 Å²	160	143.3 Å²	143.3	70%	0.696	69%	0.69	S	S	*	*			trans	88.6	130.6	-177.2	-63.4	150.2	-171.8	160.3	0	114.3
317	V	26.7	Very low	30.2	Very low	134 Å²	134	142.1 Å²	142.1	81%	0.812	69%	0.686	S	S	*	*			cis	75.3	149	34.7	-172.9	0	0	0	0	111.8
318	V	30.2	Very low	30.4	Very low	128 Å²	128	143.3 Å²	143.3	78%	0.776	69%	0.692	S	S	*	*			trans	78.9	110.7	-171.5	-166.9	0	0	0	0	110.6
319	N	24.3	Very low	30.3	Very low	140 Å²	140	142.4 Å²	142.4	75%	0.749	69%	0.687	S	S	*	*			cis	86.3	137.8	41.7	-149.4	18.1	0	0	0	113.2
320	L	28.1	Very low	30.3	Very low	111 Å²	111	144.7 Å²	144.7	58%	0.581	69%	0.69	S	S	*	*			trans	64.1	123.7	167.1	-91.3	65.7	0	0	0	121.6
321	K	29.7	Very low	30.3	Very low	120 Å²	120	142.9 Å²	142.9	52%	0.522	69%	0.689	S	S	.	*			trans	75	128.4	132.6	-69	174.5	-173.3	176.6	0	120.9	S587	K321-S587 PolarHBondContact NZ-OG 2.89Å
322	N	30	Very low	30.3	Very low	133 Å²	133	149.7 Å²	149.7	71%	0.711	70%	0.703	S	S	*	*				52.2	149.6	119.2	-48.6	15	0	0	0	119.4
323	D	32.5	Very low	30.1	Very low	97 Å²	97	151.6 Å²	151.6	52%	0.519	71%	0.706	S	S	.	*			cis	-164.9	156.5	33.5	-134.4	-35.6	0	0	0	113.4
324	R	31.3	Very low	29.9	Very low	182 Å²	182	148.1 Å²	148.1	69%	0.687	70%	0.7	S	S	*	*			trans	61.6	130	144.3	-83.3	159.8	-129.7	-167.9	13.7	123.7
325	K	31.8	Very low	29.7	Very low	171 Å²	171	144.8 Å²	144.8	74%	0.743	69%	0.692	S	S	*	*				78.5	155.6	127.3	-71.8	175.8	172.6	-160.4	0	117.9
326	I	30.5	Very low	30	Very low	116 Å²	116	145.9 Å²	145.9	60%	0.595	70%	0.697	S	S	*	*			cis	-143.4	121.6	2.2	-128	154	0	0	0	107.1
327	E	28.2	Very low	29.9	Very low	127 Å²	127	144.4 Å²	144.4	59%	0.593	70%	0.696	S	S	*	*				89.5	153.7	84.9	-161.3	-149.2	129	0	0	113.1
328	K	34.2	Very low	30.1	Very low	160 Å²	160	142.1 Å²	142.1	70%	0.696	69%	0.686	S	S	*	*			trans	80.6	136.6	167.5	-51.7	176.2	-173	174.5	0	116.5
329	H	31.3	Very low	30.3	Very low	132 Å²	132	141.7 Å²	141.7	61%	0.611	68%	0.684	S	S	*	*			cis	-168.8	161.9	-22.4	-127.6	-48.3	0	0	0	110
330	R	33.5	Very low	30.8	Very low	193 Å²	193	141.3 Å²	141.3	73%	0.728	68%	0.681	S	S	*	*			trans	72.8	95.1	149.7	-68.7	162.1	-162.7	171.8	3.5	119.4
331	D	31.7	Very low	31.3	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	68%	0.684	S	S	*	*				49	131.8	102	-52.6	-49	0	0	0	120.4
332	R	28.7	Very low	31.8	Very low	245 Å²	245	141.4 Å²	141.4	93%	0.925	69%	0.687	S	S	*	*			trans	-60.7	137.4	163.5	-61.7	167.1	170	167.8	-6.7	111.3
333	K	29.2	Very low	32.5	Very low	191 Å²	191	143 Å²	143	83%	0.83	69%	0.69	S	S	*	*				-168.5	144	118.2	-114.1	-177.4	178.9	-178.2	0	113.4
334	T	26	Very low	32.9	Very low	107 Å²	107	141.1 Å²	141.1	66%	0.656	69%	0.694	S	S	*	*			trans	18.5	133.9	144.1	58.3	0	0	0	0	118.6
335	T	27.4	Very low	33.6	Very low	107 Å²	107	139 Å²	139	66%	0.656	70%	0.696	S	S	*	*				-178.5	172.4	72	37.3	0	0	0	0	110.8
336	H	33.7	Very low	34.2	Very low	162 Å²	162	138.4 Å²	138.4	75%	0.75	70%	0.701	S	S	*	*			trans	68	144.8	155.4	-67.3	-54.9	0	0	0	118.2
337	D	29.1	Very low	34.8	Very low	128 Å²	128	140 Å²	140	68%	0.684	71%	0.711	S	S	*	*			cis	-162.6	178.1	-20.2	-149.8	-28.9	0	0	0	108.8
338	S	30.7	Very low	35.4	Very low	86 Å²	86	139.2 Å²	139.2	60%	0.601	72%	0.715	S	S	*	*			trans	38.5	132.9	140.7	73.9	0	0	0	0	119.9
339	T	33.7	Very low	35.7	Very low	119 Å²	119	137.7 Å²	137.7	73%	0.73	71%	0.714	S	S	*	*			cis	-176.9	174.8	24.9	-5	0	0	0	0	112.4
340	I	36.3	Very low	35.9	Very low	133 Å²	133	139.4 Å²	139.4	68%	0.682	72%	0.72	S	S	*	*			trans	86.3	105.1	141.4	-78.8	160.4	0	0	0	119.7
341	N	37.5	Very low	35.9	Very low	122 Å²	122	134 Å²	134	65%	0.652	72%	0.724	S	S	*	*				72.2	150.8	127.3	-63.6	36.7	0	0	0	120.7
342	D	40.9	Very low	36	Very low	110 Å²	110	133.9 Å²	133.9	59%	0.588	72%	0.724	S	S	*	*			cis	-159.1	153.6	-3	-113.6	-24.3	0	0	0	113.2
343	H	45.5	Very low	36.5	Very low	167 Å²	167	131.1 Å²	131.1	77%	0.773	72%	0.718	S	S	*	*			trans	47.3	147.1	150.1	-64.4	50.7	0	0	0	120.5
344	G	40.8	Very low	36.7	Very low	58 Å²	58	128.8 Å²	128.8	60%	0.598	71%	0.71	S	S	*	*			cis	-162.4	153.5	-7.1	0	0	0	0	0	109.3
345	D	45.8	Very low	37.1	Very low	137 Å²	137	129.5 Å²	129.5	73%	0.733	71%	0.71	S	S	*	*				74.6	124.8	70.6	-50.6	-40.8	0	0	0	111.1
346	D	44.1	Very low	37.4	Very low	158 Å²	158	130.8 Å²	130.8	85%	0.845	71%	0.709	S	S	*	*			cis	-122.4	-148	6.2	-78.5	-63.8	0	0	0	110.7
347	D	42.3	Very low	37.2	Very low	151 Å²	151	128.9 Å²	128.9	81%	0.807	70%	0.703	S	S	*	*			cis	-159	-164.5	10.6	-162.6	4.4	0	0	0	112.9
348	V	41.1	Very low	37.5	Very low	110 Å²	110	129.1 Å²	129.1	67%	0.667	70%	0.698	S	S	*	*			trans	-118.5	170.1	-161.4	164.4	0	0	0	0	109.6
349	D	39.6	Very low	37.6	Very low	128 Å²	128	133.5 Å²	133.5	68%	0.684	71%	0.706	S	S	*	*			cis	-154.8	-171	32.4	-151	-1.9	0	0	0	116.3
350	K	35.4	Very low	37.3	Very low	167 Å²	167	132.3 Å²	132.3	73%	0.726	70%	0.702	S	S	*	*			trans	-94.5	165.3	-171.4	-52.6	159.3	-156	80.7	0	114.1
351	G	34.6	Very low	37	Very low	80 Å²	80	135.8 Å²	135.8	83%	0.825	71%	0.708	S	S	*	*			trans	-148.8	107.9	165	0	0	0	0	0	113.8
352	N	32.8	Very low	36.9	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	71%	0.714	S	S	*	*			trans	-87	149.3	179.6	-66.9	-42.9	0	0	0	113.3
353	K	39.5	Very low	36.4	Very low	187 Å²	187	137.4 Å²	137.4	81%	0.813	72%	0.715	S	S	*	*			trans	161.2	155.6	140.6	-91.3	155.7	-176.9	173.6	0	112
354	E	34.1	Very low	36.1	Very low	141 Å²	141	136.2 Å²	136.2	66%	0.659	71%	0.709	S	S	*	*			cis	-179.3	152.2	-31.1	-124.2	176.1	-141.6	0	0	109.5
355	N	33.4	Very low	35.7	Very low	122 Å²	122	141.4 Å²	141.4	65%	0.652	72%	0.716	S	S	*	*			trans	61.6	157.3	155	-54.7	-33.5	0	0	0	118.5
356	E	33.9	Very low	35.1	Very low	135 Å²	135	140.2 Å²	140.2	63%	0.631	71%	0.713	S	S	*	*			cis	-129.8	140.7	-14.6	-87.4	-141.7	102.3	0	0	107.3	K358	E356-K358 WeakPolarHBondContact OE1-CE 3.44Å; E356-K358 IonicContact OE1-NZ 2.73Å; E356-K358 PolarHBondContact OE1-NZ 3.43Å; E356-K358 IonicContact OE2-NZ 3.69Å; E356-K358 PolarHBondContact OE2-NZ 3.2Å
357	I	30.4	Very low	34.7	Very low	121 Å²	121	139.9 Å²	139.9	62%	0.621	70%	0.704	S	S	*	*				67.1	102.8	61.1	-54.8	168.1	0	0	0	114.5
358	K	34.3	Very low	34.2	Very low	134 Å²	134	138.2 Å²	138.2	58%	0.583	70%	0.696	S	S	*	*				166.6	126.9	129.6	-93.2	132.8	-141.6	166.4	0	115.2	E356	E356-K358 WeakPolarHBondContact OE1-CE 3.44Å; E356-K358 IonicContact OE1-NZ 2.73Å; E356-K358 PolarHBondContact OE1-NZ 3.43Å; E356-K358 IonicContact OE2-NZ 3.69Å; E356-K358 PolarHBondContact OE2-NZ 3.2Å
359	K	33.6	Very low	34	Very low	178 Å²	178	141.4 Å²	141.4	77%	0.774	71%	0.708	S	S	*	*			trans	54.5	117.6	141.8	-56.1	164.7	-175.5	171.4	0	118.7
360	S	27.2	Very low	33.6	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	71%	0.713	S	S	*	*			cis	79.3	155	20.4	100.9	0	0	0	0	118
361	Y	31	Very low	33.4	Very low	206 Å²	206	141 Å²	141	81%	0.808	71%	0.713	S	S	*	*			trans	76.8	149.1	-169.4	-56.3	-77.5	0	0	0	115.7
362	K	34	Very low	33.6	Very low	180 Å²	180	143.6 Å²	143.6	78%	0.783	71%	0.708	S	S	*	*			cis	-146.5	117.1	18.6	-150.8	161.7	-176.6	174.6	0	110.2
363	S	31.4	Very low	33.8	Very low	86 Å²	86	143.8 Å²	143.8	60%	0.601	71%	0.708	S	S	*	*				69.1	146.8	103.9	-115.3	0	0	0	0	116.1
364	H	37.8	Very low	33.3	Very low	142 Å²	142	142.3 Å²	142.3	66%	0.657	71%	0.709	S	S	*	*			cis	-140.4	144.1	28.1	-95.3	-60.6	0	0	0	112.4
365	K	33	Very low	33.4	Very low	168 Å²	168	145 Å²	145	73%	0.73	72%	0.719	S	S	*	*				52.7	142.8	109.3	-75.5	-173.1	176.1	-176.1	0	116.3
366	T	34.5	Very low	33.6	Very low	111 Å²	111	143.8 Å²	143.8	68%	0.681	72%	0.716	S	S	*	*			cis	-153.2	141.1	21.8	5.7	0	0	0	0	108.8
367	K	34.8	Very low	33.7	Very low	152 Å²	152	143.8 Å²	143.8	66%	0.661	72%	0.72	S	S	*	*				61.2	139.1	87.1	-65.7	-167.3	142.1	-69.2	0	114.3
368	D	31	Very low	33.9	Very low	116 Å²	116	144.5 Å²	144.5	62%	0.62	73%	0.725	S	S	*	*			cis	-161	-171.1	-1.6	-94.3	-23.5	0	0	0	108.6
369	L	38.3	Very low	33.9	Very low	176 Å²	176	144.1 Å²	144.1	92%	0.921	73%	0.734	S	S	*	*			trans	101.1	101.1	164	-55.9	-179.6	0	0	0	117.1
370	L	31.1	Very low	33.8	Very low	153 Å²	153	142.6 Å²	142.6	80%	0.801	73%	0.734	S	S	*	*			trans	-98.2	175.5	164	-166.8	72.8	0	0	0	108.4
371	N	29.8	Very low	34	Very low	133 Å²	133	143.6 Å²	143.6	71%	0.711	74%	0.736	S	S	*	*			trans	75	146.6	177	-48.6	-12.2	0	0	0	112.6
372	D	38.9	Very low	34.1	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	73%	0.731	S	S	*	*			cis	-144	155.5	41.7	-93.1	-42.7	0	0	0	115.9
373	L	37.8	Very low	34	Very low	150 Å²	150	138.9 Å²	138.9	79%	0.785	73%	0.731	S	S	*	*			trans	49.4	111	146.1	-57.3	168.3	0	0	0	118.8
374	N	28.9	Very low	34.1	Very low	155 Å²	155	142.2 Å²	142.2	83%	0.829	74%	0.737	S	S	*	*				53.2	99.9	55.8	-71.4	-6.2	0	0	0	116.2
375	K	37.1	Very low	33.9	Very low	199 Å²	199	141.1 Å²	141.1	87%	0.865	74%	0.743	S	S	*	*			trans	171.5	141.7	149.1	-96.8	-171.4	177.7	-176.2	0	107.2
376	T	36.7	Very low	33.7	Very low	96 Å²	96	137.5 Å²	137.5	59%	0.589	73%	0.734	S	S	*	*			cis	-153.8	145.1	-2.2	26.4	0	0	0	0	108.1
377	D	36.6	Very low	33.4	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	73%	0.733	S	S	*	*				47.1	137.3	129.1	-37.2	-21.6	0	0	0	119.4
378	N	35.2	Very low	33.3	Very low	136 Å²	136	139.6 Å²	139.6	73%	0.727	74%	0.743	S	S	*	*			cis	-162.4	159	29.1	-119.6	-32.7	0	0	0	112.5
379	T	34	Very low	33.1	Very low	126 Å²	126	139.8 Å²	139.8	77%	0.773	74%	0.743	S	S	*	*			trans	58.2	140.9	155.3	50.9	0	0	0	0	120.1
380	L	31	Very low	32.7	Very low	146 Å²	146	138.8 Å²	138.8	76%	0.764	73%	0.734	S	S	*	*			cis	-165.1	115.2	-10.7	-169.4	65.4	0	0	0	105.1
381	V	30.9	Very low	32.6	Very low	114 Å²	114	139.2 Å²	139.2	69%	0.691	73%	0.731	S	S	*	*				53.8	114.8	98.6	177.4	0	0	0	0	111.7
382	D	33.4	Very low	32.9	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	73%	0.734	S	S	*	*				-150.7	133.7	58.6	-90.7	-47.2	0	0	0	113.1
383	I	32.9	Very low	32.4	Very low	153 Å²	153	139.6 Å²	139.6	79%	0.785	74%	0.74	S	S	*	*				85.2	130.5	98.3	-66.5	179.7	0	0	0	117.2
384	E	31.6	Very low	32.2	Very low	156 Å²	156	140.9 Å²	140.9	73%	0.729	74%	0.743	S	S	*	*			trans	-82.6	176.3	175.4	-56.3	-179.9	105	0	0	113.2	V386	E384-V386 HydrophobicContact CB-CG2 4.15Å
385	P	34.1	Very low	32.3	Very low	119 Å²	119	139.6 Å²	139.6	77%	0.773	74%	0.735	S	S	*	*				-143.9	155.8	90	47.2	-33.6	0	0	0	112
386	V	29.8	Very low	32.1	Very low	92 Å²	92	137.4 Å²	137.4	56%	0.558	73%	0.731	S	S	*	*			cis	63.9	124.1	41.1	-175.3	0	0	0	0	110.3	E384	E384-V386 HydrophobicContact CB-CG2 4.15Å
387	E	27.9	Very low	32	Very low	139 Å²	139	138.9 Å²	138.9	65%	0.65	74%	0.735	S	S	*	*			cis	-141.2	-177.3	-1.8	-134.4	161.6	-148.9	0	0	107.9	I389	E387-I389 HydrophobicContact CG-CD1 4.01Å; E387-I389 HydrophobicContact CG-CG1 4.12Å
388	L	32.7	Very low	32	Very low	168 Å²	168	138.7 Å²	138.7	88%	0.88	73%	0.733	S	S	*	*				-168.7	156.9	89.6	-89.1	170.6	0	0	0	111
389	I	26.4	Very low	32	Very low	120 Å²	120	139.6 Å²	139.6	62%	0.615	74%	0.738	S	S	*	*			trans	-123.3	180	-162.5	-52.7	165.6	0	0	0	109.9	E387	E387-I389 HydrophobicContact CG-CD1 4.01Å; E387-I389 HydrophobicContact CG-CG1 4.12Å
390	H	30.6	Very low	32.1	Very low	156 Å²	156	140.4 Å²	140.4	72%	0.722	73%	0.733	S	S	*	*			trans	75.6	144.1	-174	-68.7	-121	0	0	0	113.5
391	E	29.3	Very low	32.3	Very low	161 Å²	161	141 Å²	141	75%	0.752	74%	0.736	S	S	*	*			cis	-146.3	162.3	4.2	-132.3	141.6	-138.6	0	0	106.9
392	S	34.8	Very low	32.4	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	74%	0.738	S	S	*	*			cis	-153.7	167.2	34.8	-49.1	0	0	0	0	111.4
393	I	29.8	Very low	32.4	Very low	166 Å²	166	144.9 Å²	144.9	85%	0.851	74%	0.743	S	S	*	*			trans	-109.1	137.5	175.7	-63.9	164.9	0	0	0	109.2
394	E	32.1	Very low	32.2	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	75%	0.746	S	S	*	*			trans	-150.2	121.8	150.9	-137.3	164.6	-152.2	0	0	114.7
395	L	30.8	Very low	32.4	Very low	127 Å²	127	148.4 Å²	148.4	67%	0.665	75%	0.753	S	S	*	*			trans	27.8	119.7	153.4	-57.7	173	0	0	0	121.1
396	I	34.3	Very low	32.2	Very low	153 Å²	153	148 Å²	148	79%	0.785	75%	0.753	S	S	*	*			trans	-107.1	100.1	147.8	-58.4	175.2	0	0	0	106.9	I398	I396-I398 HydrophobicContact CG2-CD1 4.44Å; I396-I398 HydrophobicContact CG2-CG1 4.07Å; I396-I398 PolarHBondContact O-N 2.94Å
397	D	33.8	Very low	32.3	Very low	127 Å²	127	149.6 Å²	149.6	68%	0.679	77%	0.766	S	S	*	*			trans	-71.8	127.3	172.2	-72.6	-41	0	0	0	110.8
398	I	36.2	Very low	32.6	Very low	132 Å²	132	150.7 Å²	150.7	68%	0.677	77%	0.771	S	S	*	*			trans	-123.8	79.8	170.9	-53.2	-178.3	0	0	0	107.8	I396 H400	I396-I398 HydrophobicContact CG2-CD1 4.44Å; I396-I398 HydrophobicContact CG2-CG1 4.07Å; I396-I398 PolarHBondContact O-N 2.94Å; I398-H400 PolarHBondContact O-N 2.97Å
399	D	34.9	Very low	32.7	Very low	154 Å²	154	152.8 Å²	152.8	82%	0.824	77%	0.773	S	S	*	*			trans	-60.9	126.4	166.7	-88.8	-34.2	0	0	0	109.9
400	H	36.8	Very low	33	Very low	144 Å²	144	151.7 Å²	151.7	67%	0.667	78%	0.776	S	S	*	*			trans	-136.5	58.6	179.5	-120.3	55.6	0	0	0	111.6	I398 Q402	I398-H400 PolarHBondContact O-N 2.97Å; H400-Q402 PolarHBondContact O-N 3.18Å
401	D	35.1	Very low	33.2	Very low	157 Å²	157	154 Å²	154	84%	0.84	78%	0.784	S	S	*	*			trans	-68.1	89.6	179.5	-137.8	0.8	0	0	0	110.9
402	Q	33.5	Very low	33.4	Very low	154 Å²	154	151.8 Å²	151.8	72%	0.72	79%	0.787	S	S	*	*			trans	-108.9	92.3	169.4	-70.4	-167.4	36	0	0	110.1	H400	H400-Q402 PolarHBondContact O-N 3.18Å
403	Q	33.8	Very low	33.3	Very low	175 Å²	175	152.7 Å²	152.7	82%	0.818	79%	0.787	S	S	*	*			trans	-83.5	110.9	157.9	-73.4	-161.1	3.5	0	0	110.3	K405	Q403-K405 PolarHBondContact O-N 3.37Å
404	E	28.8	Very low	33.4	Very low	181 Å²	181	152.1 Å²	152.1	85%	0.846	79%	0.785	S	S	*	*			trans	-62	131.5	168.2	-62.7	-173	107.4	0	0	111
405	K	34.8	Very low	33.4	Very low	203 Å²	203	150.8 Å²	150.8	88%	0.883	78%	0.783	S	S	*	*			trans	-131.4	121.4	141.6	-71.9	-164.9	177.4	176.3	0	110.2	Q403	Q403-K405 PolarHBondContact O-N 3.37Å
406	S	29.6	Very low	33.5	Very low	110 Å²	110	152 Å²	152	77%	0.769	79%	0.786	S	S	*	*			trans	-74	148.9	-175.5	53.5	0	0	0	0	112.5
407	C	31.5	Very low	33.5	Very low	125 Å²	125	153.6 Å²	153.6	85%	0.845	79%	0.789	S	S	*	*				-157.6	156.7	124.6	-144.9	0	0	0	0	112.1
408	H	34.5	Very low	33.5	Very low	162 Å²	162	155.2 Å²	155.2	75%	0.75	79%	0.791	S	S	*	*			trans	-88.1	143	-172.9	-44.3	-94.2	0	0	0	112.7
409	K	35.6	Very low	33.3	Very low	213 Å²	213	154 Å²	154	93%	0.926	79%	0.793	S	S	*	*				-160.6	157.5	114.1	-112.9	163	-175.5	167.9	0	113.1
410	S	33.2	Very low	33.2	Very low	97 Å²	97	158.1 Å²	158.1	68%	0.678	80%	0.799	S	S	*	*			trans	-125	158.5	-166.2	-38.8	0	0	0	0	111.6
411	K	34.3	Very low	33	Very low	204 Å²	204	162 Å²	162	89%	0.887	81%	0.808	S	S	*	*			trans	60.7	125.5	156.7	-60.2	166.7	-178.5	174.1	0	116.9
412	S	34.1	Very low	32.8	Very low	115 Å²	115	163 Å²	163	80%	0.804	81%	0.805	S	S	*	*				163.4	131.3	99.4	-167.5	0	0	0	0	111.3
413	T	32.5	Very low	32.8	Very low	129 Å²	129	165.6 Å²	165.6	79%	0.791	81%	0.814	S	S	*	*			trans	-71	134.7	172.3	-33.8	0	0	0	0	110.7
414	I	31.7	Very low	33	Very low	155 Å²	155	164.7 Å²	164.7	80%	0.795	81%	0.809	S	S	*	*			trans	-149	141.6	152.6	-108.1	160.8	0	0	0	109
415	N	31	Very low	33.1	Very low	150 Å²	150	162.4 Å²	162.4	80%	0.802	81%	0.808	S	S	*	*			trans	-70.9	141	-179.7	-70.6	-52.6	0	0	0	111.9
416	Q	34.6	Very low	33	Very low	153 Å²	153	157.9 Å²	157.9	72%	0.715	80%	0.802	S	S	*	*			trans	-156.2	125.8	143.2	-121.9	173.1	99.5	0	0	113.7
417	Q	33.1	Very low	33.1	Very low	185 Å²	185	161.9 Å²	161.9	86%	0.864	81%	0.805	S	S	*	*			trans	-83.8	134.3	167.7	-66.1	172.6	-27.9	0	0	110.5
418	K	33.1	Very low	33.2	Very low	162 Å²	162	165.3 Å²	165.3	70%	0.704	81%	0.806	S	S	*	*			trans	-157.2	116	151.7	-86.3	121.3	179.7	-174.4	0	105.3
419	S	32.6	Very low	33.1	Very low	105 Å²	105	162.2 Å²	162.2	73%	0.734	80%	0.803	S	S	*	*			cis	67	75.6	33	-154.8	0	0	0	0	113.1	R421	S419-R421 PolarHBondContact O-N 3.19Å
420	Y	32.4	Very low	33.1	Very low	242 Å²	242	158.1 Å²	158.1	95%	0.949	80%	0.801	S	S	*	*			trans	-77.2	100	165.9	-74.5	-83.1	0	0	0	109.6
421	R	32.6	Very low	33.2	Very low	226 Å²	226	156.9 Å²	156.9	85%	0.853	80%	0.804	S	S	*	*			trans	-134.8	143.3	171.8	-159.5	177	-170	-166.5	2.7	110.2	S419	S419-R421 PolarHBondContact O-N 3.19Å
422	K	31.1	Very low	33.3	Very low	177 Å²	177	151.7 Å²	151.7	77%	0.77	79%	0.793	S	S	*	*			trans	-37.2	141.9	175.8	-66.5	178.8	171.4	-174	0	113.3
423	K	34.9	Very low	33.3	Very low	208 Å²	208	154 Å²	154	90%	0.904	79%	0.791	S	S	*	*			trans	-121.5	149	148.4	-83.6	-163.6	171	-170.4	0	110.7
424	H	37.3	Very low	33.5	Very low	157 Å²	157	153 Å²	153	73%	0.727	79%	0.785	S	S	*	*			trans	-101.9	152	175.4	-82.8	-121.4	0	0	0	110.4
425	T	29.9	Very low	33.6	Very low	133 Å²	133	153.8 Å²	153.8	82%	0.816	79%	0.785	S	S	*	*			trans	-5	121.5	152.9	55.1	0	0	0	0	120.5
426	S	34.4	Very low	34	Very low	107 Å²	107	151 Å²	151	75%	0.748	78%	0.778	S	S	*	*			trans	-173.7	118.9	138.2	51.5	0	0	0	0	107.2
427	K	31.4	Very low	34.2	Very low	194 Å²	194	149.3 Å²	149.3	84%	0.843	78%	0.783	S	S	*	*				71.7	148.5	74.5	-82.9	-161.6	172.3	-169.5	0	114.2
428	F	32.5	Very low	34.6	Very low	197 Å²	197	145.8 Å²	145.8	86%	0.864	78%	0.775	S	S	*	*			trans	75.6	145.6	-170.4	-52.4	-73.4	0	0	0	115.8
429	S	33.2	Very low	34.7	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	78%	0.777	S	S	*	*			cis	-176.7	154.9	-34.3	-103.6	0	0	0	0	109.8
430	S	35	Very low	34.9	Very low	128 Å²	128	144.9 Å²	144.9	90%	0.895	78%	0.776	S	S	*	*			trans	57.5	151.7	172.8	47.9	0	0	0	0	116.7
431	G	34.5	Very low	35.2	Very low	71 Å²	71	140.7 Å²	140.7	73%	0.732	77%	0.765	S	S	*	*			cis	-173.5	176.6	-5.9	0	0	0	0	0	107
432	S	36.5	Very low	35.5	Very low	95 Å²	95	134.5 Å²	134.5	66%	0.664	75%	0.749	S	S	*	*			cis	-167.7	176.5	-5.4	41.7	0	0	0	0	108.6
433	E	35.3	Very low	35.9	Very low	164 Å²	164	134 Å²	134	77%	0.766	75%	0.749	S	S	*	*			trans	66.2	145.1	168.3	-67.4	130	-101.7	0	0	118.1
434	T	35.5	Very low	36	Very low	106 Å²	106	128 Å²	128	65%	0.65	73%	0.733	S	S	*	*			cis	-153.9	156.6	-7.1	6.5	0	0	0	0	112
435	E	35.7	Very low	36	Very low	173 Å²	173	130.6 Å²	130.6	81%	0.808	74%	0.736	S	S	*	*			trans	57	146	149	-72.1	150.9	-136.1	0	0	121.4
436	S	38	Very low	36.2	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	73%	0.725	S	S	*	*			cis	-160.8	123.5	-13.7	57.8	0	0	0	0	109
437	S	38.5	Very low	36.1	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	73%	0.727	S	S	*	*				80.6	159.4	101.9	-57.6	0	0	0	0	115
438	P	42.3	Very low	36.2	Very low	110 Å²	110	126.6 Å²	126.6	71%	0.714	72%	0.718	S	S	*	*			cis	-136.1	-172.7	9.2	44.8	-28.2	0	0	0	116.4
439	C	34.9	Very low	36.1	Very low	110 Å²	110	125.7 Å²	125.7	74%	0.743	72%	0.717	S	S	*	*			trans	71.9	138	152.1	-66.9	0	0	0	0	120.6
440	I	37.2	Very low	36.2	Very low	138 Å²	138	126.8 Å²	126.8	71%	0.708	72%	0.719	S	S	*	*			cis	-153	140.9	-5.6	-104.2	164	0	0	0	109.4
441	H	39.1	Very low	36	Very low	155 Å²	155	125.3 Å²	125.3	72%	0.718	71%	0.709	S	S	*	*			trans	43.6	152.8	152.8	-68.8	-17.2	0	0	0	123.2
442	N	37.6	Very low	35.9	Very low	95 Å²	95	131 Å²	131	51%	0.508	71%	0.713	S	S	.	*			cis	-162.1	155.2	-9.7	-114.1	-9.6	0	0	0	112.8
443	H	40.7	Very low	35.7	Very low	166 Å²	166	131.5 Å²	131.5	77%	0.769	72%	0.717	S	S	*	*			trans	53.6	150.5	139.2	-63.6	-21.6	0	0	0	121.4
444	S	36	Very low	35.8	Very low	82 Å²	82	128.4 Å²	128.4	57%	0.573	71%	0.714	S	S	*	*			cis	-173.1	134.4	-4.9	146.2	0	0	0	0	110.6
445	R	37.8	Very low	35.8	Very low	213 Å²	213	131.7 Å²	131.7	80%	0.804	72%	0.719	S	S	*	*			trans	63	172.5	150.5	-67.2	-173.7	161.1	129.9	-3.9	118.3
446	D	33.7	Very low	35.9	Very low	108 Å²	108	130.7 Å²	130.7	58%	0.578	71%	0.714	S	S	*	*			cis	-163.1	148.4	-35.9	-93.5	-16.2	0	0	0	106.7
447	N	33	Very low	35.5	Very low	149 Å²	149	132.2 Å²	132.2	80%	0.797	72%	0.72	S	S	*	*			trans	59.3	179.8	154.9	-60.4	-23.3	0	0	0	115.7
448	S	32.9	Very low	35.5	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	72%	0.717	S	S	*	*			cis	-153.6	139.5	-18.1	19.6	0	0	0	0	109.8
449	E	31	Very low	35.3	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	72%	0.719	S	S	*	*			trans	59.5	174.8	139.7	-57.1	-173	144.8	0	0	122.8
450	T	35	Very low	35.5	Very low	119 Å²	119	133.1 Å²	133.1	73%	0.73	71%	0.712	S	S	*	*			trans	73.1	95.8	158.7	56.6	0	0	0	0	121.7
451	S	30.6	Very low	35.6	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	72%	0.716	S	S	*	*				59.3	118.8	105.6	-62.3	0	0	0	0	122.7
452	K	33.7	Very low	35.5	Very low	190 Å²	190	130.7 Å²	130.7	83%	0.826	71%	0.713	S	S	*	*				70.8	108.5	125.7	-64.7	178.4	-179.9	176.5	0	120.8
453	S	32	Very low	35.5	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	72%	0.723	S	S	*	*				102.6	154.1	118.2	87.8	0	0	0	0	120.7
454	S	36.3	Very low	35.5	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	72%	0.72	S	S	*	*			trans	63.9	106.7	146	-46.9	0	0	0	0	119.2
455	K	37	Very low	35.6	Very low	174 Å²	174	131.7 Å²	131.7	76%	0.757	73%	0.729	S	S	*	*				-176.8	137.8	93.1	-97.7	173.3	174.8	178.9	0	114.2
456	Q	37.5	Very low	35.7	Very low	153 Å²	153	126.2 Å²	126.2	72%	0.715	72%	0.724	S	S	*	*			trans	51.7	115.9	130.4	-66.2	167	-39.4	0	0	119.1
457	T	29.2	Very low	36	Very low	124 Å²	124	131.2 Å²	131.2	76%	0.761	74%	0.735	S	S	*	*				93.8	122.5	62.9	-69.3	0	0	0	0	111.3
458	I	37.9	Very low	36	Very low	147 Å²	147	130.5 Å²	130.5	75%	0.754	73%	0.729	S	S	*	*			trans	-176.4	120.3	139.3	-99.5	157.4	0	0	0	109.8
459	T	39	Very low	36	Very low	124 Å²	124	132.3 Å²	132.3	76%	0.761	73%	0.731	S	S	*	*			trans	44.5	147.6	151.3	64.4	0	0	0	0	122.6
460	S	38.8	Very low	36.4	Very low	85 Å²	85	130.8 Å²	130.8	59%	0.594	73%	0.734	S	S	*	*			cis	-178	156.9	-12.8	51.9	0	0	0	0	110.9
461	N	38.9	Very low	36.2	Very low	150 Å²	150	130.6 Å²	130.6	80%	0.802	73%	0.729	S	S	*	*			trans	70.5	149.3	153.7	-58.6	-12.5	0	0	0	120.1
462	S	37.8	Very low	36.6	Very low	91 Å²	91	133.9 Å²	133.9	64%	0.636	73%	0.733	S	S	*	*			cis	-174.7	139.9	-30.5	53.3	0	0	0	0	111.2
463	S	37.5	Very low	36.3	Very low	105 Å²	105	129.5 Å²	129.5	73%	0.734	73%	0.726	S	S	*	*			trans	57.1	174.3	145.6	60.6	0	0	0	0	118.8
464	V	40.9	Very low	36.2	Very low	114 Å²	114	131.9 Å²	131.9	69%	0.691	73%	0.729	S	S	*	*			cis	-143.7	143.4	4.7	-142.6	0	0	0	0	111.2
465	N	37.1	Very low	36.1	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	73%	0.729	S	S	*	*			trans	60.5	156.5	154.7	-68.6	-17.6	0	0	0	118.6
466	S	39.8	Very low	35.9	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	73%	0.733	S	S	*	*			cis	-161.5	161.1	3.2	20.1	0	0	0	0	108.3
467	R	39.9	Very low	36	Very low	213 Å²	213	127.7 Å²	127.7	80%	0.804	73%	0.731	S	S	*	*			cis	-164.3	153.7	4.4	-115.4	167.3	-163.5	173.7	4.9	109.1
468	I	34.4	Very low	36.3	Very low	134 Å²	134	126.9 Å²	126.9	69%	0.687	73%	0.73	S	S	*	*			trans	48.8	96.9	137.8	-61.4	171.6	0	0	0	116.2
469	L	32.8	Very low	36.3	Very low	130 Å²	130	124.7 Å²	124.7	68%	0.681	73%	0.728	S	S	*	*				88.9	125.7	78.4	-81.2	167.2	0	0	0	114.2	D471	L469-D471 WeakPolarHBondContact CD2-OD2 3.28Å
470	T	38.2	Very low	36	Very low	146 Å²	146	126.4 Å²	126.4	90%	0.896	73%	0.732	S	S	*	*			trans	-159.1	120.4	147.9	1.4	0	0	0	0	107.5
471	D	31.9	Very low	35.6	Very low	115 Å²	115	126.9 Å²	126.9	62%	0.615	74%	0.735	S	S	*	*			trans	-100.4	-175.6	-173.9	-71.5	-70.4	0	0	0	112.6	L469	L469-D471 WeakPolarHBondContact CD2-OD2 3.28Å
472	H	38	Very low	35.3	Very low	167 Å²	167	124.7 Å²	124.7	77%	0.773	73%	0.731	S	S	*	*			trans	84.9	82.9	159.5	-51.9	-52.9	0	0	0	119.2
473	S	27.4	Very low	34.9	Very low	99 Å²	99	128 Å²	128	69%	0.692	74%	0.74	S	S	*	*				50.8	132.4	100.5	-54.3	0	0	0	0	121.8
474	I	30.1	Very low	34.5	Very low	156 Å²	156	128.6 Å²	128.6	80%	0.8	74%	0.743	S	S	*	*			trans	73.8	105.9	148.3	-58	153.6	0	0	0	117.4
475	S	33.8	Very low	34	Very low	97 Å²	97	128.4 Å²	128.4	68%	0.678	75%	0.747	S	S	*	*				175.6	144	105.3	44.8	0	0	0	0	113.8
476	N	34	Very low	33.8	Very low	159 Å²	159	130.8 Å²	130.8	85%	0.85	75%	0.75	S	S	*	*			trans	44.4	133.1	135.4	-56.3	-8.2	0	0	0	120.7
477	A	38.3	Very low	33.6	Very low	82 Å²	82	134 Å²	134	68%	0.678	76%	0.76	S	S	*	*			cis	-160.3	164.1	2.5	0	0	0	0	0	113.6
478	S	36.8	Very low	33.2	Very low	106 Å²	106	133 Å²	133	74%	0.741	76%	0.761	S	S	*	*			trans	42	132.5	137.8	63.9	0	0	0	0	120.7
479	S	36.7	Very low	33.2	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	77%	0.77	S	S	*	*			cis	-155.2	146.8	16.4	-88.6	0	0	0	0	113.3
480	L	33.8	Very low	33.1	Very low	160 Å²	160	136.7 Å²	136.7	84%	0.838	78%	0.777	S	S	*	*				24.1	151.4	129.6	-50.4	174.8	0	0	0	120.8
481	S	29.3	Very low	32.9	Very low	94 Å²	94	136.8 Å²	136.8	66%	0.657	77%	0.77	S	S	*	*			cis	179.4	-163.1	-20.5	64.9	0	0	0	0	107.6
482	S	33.3	Very low	32.7	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	78%	0.776	S	S	*	*			trans	69.2	125.3	177.3	75.2	0	0	0	0	115.5
483	I	28.8	Very low	32.5	Very low	160 Å²	160	139.7 Å²	139.7	82%	0.821	77%	0.772	S	S	*	*			cis	99.8	96.6	18.5	-55.8	169.9	0	0	0	114.4
484	C	28.5	Very low	32.7	Very low	118 Å²	118	144.9 Å²	144.9	80%	0.797	78%	0.776	S	S	*	*			trans	79.7	167.7	138.9	-146.5	0	0	0	0	121
485	S	30.3	Very low	32.8	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	77%	0.77	S	S	*	*			trans	71.6	127.4	167.5	-68.8	0	0	0	0	119.7
486	K	33.4	Very low	32.7	Very low	195 Å²	195	146.8 Å²	146.8	85%	0.848	77%	0.771	S	S	*	*			trans	-62.3	157.4	157.5	-48.4	140.2	-177.9	168.3	0	107.7
487	D	36	Very low	32.7	Very low	166 Å²	166	146.5 Å²	146.5	89%	0.888	76%	0.764	S	S	*	*				-152.4	162.5	119.6	-122.1	-35.6	0	0	0	114.4
488	K	31.6	Very low	32.6	Very low	193 Å²	193	151 Å²	151	84%	0.839	77%	0.771	S	S	*	*			trans	-99.3	125	167.3	-77.2	177.5	176.5	175.4	0	108.7
489	L	34.5	Very low	32.4	Very low	167 Å²	167	154.8 Å²	154.8	87%	0.874	77%	0.774	S	S	*	*			trans	-132.8	145.9	151.1	-91.6	173.8	0	0	0	111.6
490	Q	29.8	Very low	32.4	Very low	175 Å²	175	159 Å²	159	82%	0.818	78%	0.782	S	S	*	*			trans	-92.6	-154.5	170.9	-62.2	-177.9	-20.6	0	0	108.8
491	I	35	Very low	32.4	Very low	148 Å²	148	160 Å²	160	76%	0.759	78%	0.782	S	S	*	*			trans	81.6	134.5	171.1	-50.7	170.3	0	0	0	112.6
492	R	28.3	Very low	32.7	Very low	193 Å²	193	165.4 Å²	165.4	73%	0.728	79%	0.793	S	S	*	*			cis	173.6	141.6	-35.7	-115.1	179.2	-180	-171.5	2.4	105.2
493	H	32.5	Very low	32.6	Very low	150 Å²	150	171.1 Å²	171.1	69%	0.694	80%	0.799	S	S	*	*			trans	63.7	161.7	164.4	-54.5	-50.1	0	0	0	115.3
494	R	31	Very low	32.6	Very low	208 Å²	208	174.9 Å²	174.9	79%	0.785	80%	0.803	S	S	*	*			cis	-141.6	178.1	-10.1	-135.5	167.1	-179.4	167.6	-1.3	110.3
495	H	32.1	Very low	32.8	Very low	145 Å²	145	174.5 Å²	174.5	67%	0.671	80%	0.799	S	S	*	*			trans	-16.2	154.6	155.5	-64.9	1.1	0	0	0	117.7
496	E	32.2	Very low	32.6	Very low	148 Å²	148	176.2 Å²	176.2	69%	0.692	81%	0.805	S	S	*	*			cis	-158.6	-164.6	29.9	-140.3	151.2	-111.7	0	0	116.2
497	H	33.7	Very low	32.4	Very low	152 Å²	152	170.3 Å²	170.3	70%	0.704	79%	0.788	S	S	*	*			trans	-28.9	137.3	179.6	-54.8	-47.8	0	0	0	116.8
498	H	37	Very low	31.9	Very low	178 Å²	178	167.7 Å²	167.7	82%	0.824	78%	0.783	S	S	*	*				-154.5	162.9	77.1	-115.2	-98.3	0	0	0	116.5
499	K	32.9	Very low	31.9	Very low	185 Å²	185	167 Å²	167	80%	0.804	78%	0.782	S	S	*	*			trans	-72.8	131.7	-179.5	-57.9	162.5	-177.5	168.5	0	111.5
500	H	35.8	Very low	31.5	Very low	191 Å²	191	168.9 Å²	168.9	88%	0.884	78%	0.783	S	S	*	*			trans	-164	108.8	141.2	-102	-66.8	0	0	0	111.9	K502	H500-K502 PolarHBondContact O-N 3Å; H500-K502 VanDerWaalsContact O-N 3.11Å
501	H	34.7	Very low	31.4	Very low	179 Å²	179	166 Å²	166	83%	0.829	78%	0.782	S	S	*	*			trans	-74	97.1	172.1	-83.8	-72	0	0	0	111.1	R503	H501-R503 PolarHBondContact O-N 3.37Å
502	K	35.6	Very low	31.2	Very low	208 Å²	208	164.5 Å²	164.5	90%	0.904	78%	0.78	S	S	*	*			trans	-72.1	79.8	160.8	-86.4	-174	173.3	176.7	0	110.4	H500 R504	H500-K502 PolarHBondContact O-N 3Å; H500-K502 VanDerWaalsContact O-N 3.11Å; K502-R504 PolarHBondContact O-N 3.06Å
503	R	30.6	Very low	31.1	Very low	225 Å²	225	164.9 Å²	164.9	85%	0.849	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-60.4	126.5	163	-67.6	180	174.7	177.9	-2.2	108.2	H501	H501-R503 PolarHBondContact O-N 3.37Å
504	R	29.7	Very low	31	Very low	239 Å²	239	164.9 Å²	164.9	90%	0.902	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.6	152.3	162.1	-99.1	-173.2	160.1	164.5	-5.3	109.5	K502	K502-R504 PolarHBondContact O-N 3.06Å
505	P	32.7	Very low	31	Very low	110 Å²	110	164.3 Å²	164.3	71%	0.714	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-79.5	134.1	-149.6	-18.6	33.6	0	0	0	114.9
506	T	25.4	Very low	31.5	Very low	145 Å²	145	162.8 Å²	162.8	89%	0.89	80%	0.796	S	S	*	*			trans	-90.9	98.5	154.7	48.7	0	0	0	0	108.6
507	S	29.7	Very low	31.6	Very low	72 Å²	72	160.6 Å²	160.6	50%	0.503	80%	0.797	S	S	.	*			trans	-149.4	99	172.3	53.6	0	0	0	0	109.6
508	S	25.3	Very low	32.3	Very low	110 Å²	110	158.3 Å²	158.3	77%	0.769	79%	0.789	S	S	*	*				71.3	34.8	73.1	81.1	0	0	0	0	115.4	K510	S508-K510 PolarHBondContact O-N 3.39Å
509	H	32.3	Very low	33.3	Very low	178 Å²	178	152.9 Å²	152.9	82%	0.824	77%	0.768	S	S	*	*			trans	-81.7	99	159.7	-80.1	-80.2	0	0	0	110.6	S511	H509-S511 PolarHBondContact O-N 2.97Å
510	K	25.4	Very low	34.3	Very low	207 Å²	207	149.5 Å²	149.5	90%	0.9	76%	0.763	S	S	*	*			trans	-61.3	120.6	160	-59.4	171.9	-178.1	176	0	107.1	S508	S508-K510 PolarHBondContact O-N 3.39Å
511	S	28.4	Very low	35.1	Very low	114 Å²	114	150.4 Å²	150.4	80%	0.797	76%	0.759	S	S	*	*			trans	-116.7	137.6	160.4	-166.3	0	0	0	0	108.1	H509 K513	H509-S511 PolarHBondContact O-N 2.97Å; S511-K513 PolarHBondContact O-N 3.22Å
512	T	30.1	Very low	35.9	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	74%	0.737	S	S	*	*			trans	-73.7	128.2	-160.7	36.4	0	0	0	0	112.3	L514	T512-L514 VanDerWaalsContact C-N 3.27Å; T512-L514 PolarHBondContact O-N 2.82Å
513	K	26.8	Very low	36.6	Very low	202 Å²	202	139.5 Å²	139.5	88%	0.878	72%	0.716	S	S	*	*			trans	-70.1	86.2	161.2	-71.8	-178.2	178	178.5	0	108.4	S511 K515	S511-K513 PolarHBondContact O-N 3.22Å; K513-K515 VanDerWaalsContact C-N 3.32Å; K513-K515 PolarHBondContact O-N 3.13Å
514	L	30.4	Very low	38.3	Very low	149 Å²	149	131.9 Å²	131.9	78%	0.78	69%	0.694	S	S	*	*			trans	-67.7	97.7	163.5	-77.8	173.9	0	0	0	108	T512 T516	T512-L514 VanDerWaalsContact C-N 3.27Å; T512-L514 PolarHBondContact O-N 2.82Å; L514-T516 PolarHBondContact O-N 3.09Å
515	K	30.6	Very low	39.6	Very low	196 Å²	196	128.4 Å²	128.4	85%	0.852	68%	0.682	S	S	*	*			trans	-101.5	65	-171.9	-173.6	-164.3	172.3	-166.2	0	108.6	K513	K513-K515 VanDerWaalsContact C-N 3.32Å; K513-K515 PolarHBondContact O-N 3.13Å
516	T	41.5	Very low	40.6	Very low	114 Å²	114	128.5 Å²	128.5	70%	0.699	67%	0.674	S	S	*	*			trans	-119.6	83.7	-174.5	50.8	0	0	0	0	110.1	L514 I518	L514-T516 PolarHBondContact O-N 3.09Å; T516-I518 PolarHBondContact O-N 2.74Å
517	S	34	Very low	42.2	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	67%	0.668	S	S	*	*			trans	-69.1	110.1	155.4	49.2	0	0	0	0	107.3	T519	S517-T519 PolarHBondContact O-N 2.85Å
518	I	49.9	Very low	43.3	Very low	103 Å²	103	132.3 Å²	132.3	53%	0.528	68%	0.677	S	S	.	*			trans	-55.5	122.2	167.9	-88.8	175.9	0	0	0	107.9	T516 D522 L523 M526	T516-I518 PolarHBondContact O-N 2.74Å; I518-D522 HydrophobicContact CG1-CB 4.31Å; I518-D522 HydrophobicContact CG2-CB 4.28Å; I518-L523 HydrophobicContact CG2-CD1 4.24Å; I518-L523 HydrophobicContact CG2-CD2 3.76Å; I518-L523 HydrophobicContact CG2-CG 3.57Å; I518-M526 HydrophobicContact CD1-SD 4.37Å
519	T	57.3	Low	44.8	Very low	64 Å²	64	129.9 Å²	129.9	39%	0.393	66%	0.658	S	S	.	*			trans	-87.9	165.7	174.5	71.2	0	0	0	0	109.8	S517 R521 D522 L523	S517-T519 PolarHBondContact O-N 2.85Å; T519-R521 PolarHBondContact O-N 3.22Å; T519-R521 VanDerWaalsContact O-N 3.17Å; T519-R521 PolarHBondContact OG1-N 3.2Å; T519-D522 WeakPolarHBondContact CA-OD2 3.37Å; T519-D522 VanDerWaalsContact CB-OD2 3.28Å; T519-D522 WeakPolarHBondContact CB-OD2 3.31Å; T519-D522 WeakPolarHBondContact CG2-OD2 3.23Å; T519-D522 PolarHBondContact N-OD2 3.22Å; T519-D522 PolarHBondContact O-N 2.95Å; T519-D522 VanDerWaalsContact OG1-CG 3.27Å; T519-D522 PolarHBondContact OG1-N 2.96Å; T519-D522 PolarHBondContact OG1-OD2 3.04Å; T519-L523 PolarHBondContact O-N 2.89Å; T519-L523 VanDerWaalsContact O-N 3.16Å
520	T	54.4	Low	45.1	Very low	114 Å²	114	124.8 Å²	124.8	70%	0.699	65%	0.654	S	S	*	*	H	α-helix	trans	-58	-27.9	171.8	-38	0	0	0	0	112.1	V524	T520-V524 WeakPolarHBondContact O-CB 3.38Å; T520-V524 VanDerWaalsContact O-CG2 3.25Å; T520-V524 WeakPolarHBondContact O-CG2 3.49Å; T520-V524 PolarHBondContact O-N 2.87Å
521	R	51.9	Low	45.5	Very low	210 Å²	210	123.5 Å²	123.5	79%	0.792	65%	0.651	S	S	*	*	H	α-helix	trans	-70.9	-37.1	174.1	-68	-169.9	179	101.4	-0.8	112.3	T519 L523 V524 W525	T519-R521 PolarHBondContact O-N 3.22Å; T519-R521 VanDerWaalsContact O-N 3.17Å; T519-R521 PolarHBondContact OG1-N 3.2Å; R521-L523 VanDerWaalsContact C-N 3.34Å; R521-V524 PolarHBondContact O-N 2.94Å; R521-W525 VanDerWaalsContact O-CB 3.26Å; R521-W525 WeakPolarHBondContact O-CB 3.33Å; R521-W525 PolarHBondContact O-N 3.06Å
522	D	51.7	Low	46	Very low	69 Å²	69	125 Å²	125	37%	0.369	65%	0.65	S	S	.	*	H	α-helix	trans	-68.9	-35.7	177.8	-52.3	-57.3	0	0	0	111.1	I518 T519 M526	I518-D522 HydrophobicContact CG1-CB 4.31Å; I518-D522 HydrophobicContact CG2-CB 4.28Å; T519-D522 WeakPolarHBondContact CA-OD2 3.37Å; T519-D522 VanDerWaalsContact CB-OD2 3.28Å; T519-D522 WeakPolarHBondContact CB-OD2 3.31Å; T519-D522 WeakPolarHBondContact CG2-OD2 3.23Å; T519-D522 PolarHBondContact N-OD2 3.22Å; T519-D522 PolarHBondContact O-N 2.95Å; T519-D522 VanDerWaalsContact OG1-CG 3.27Å; T519-D522 PolarHBondContact OG1-N 2.96Å; T519-D522 PolarHBondContact OG1-OD2 3.04Å; D522-M526 WeakPolarHBondContact O-CB 3.25Å; D522-M526 WeakPolarHBondContact O-CG 3.28Å; D522-M526 PolarHBondContact O-N 3.08Å
523	L	51.5	Low	46.1	Very low	89 Å²	89	131 Å²	131	47%	0.466	66%	0.659	S	S	.	*	H	α-helix	trans	-66.2	-46.1	170.8	-69.6	175.5	0	0	0	112.3	I518 T519 R521 W525 M526 L527	I518-L523 HydrophobicContact CG2-CD1 4.24Å; I518-L523 HydrophobicContact CG2-CD2 3.76Å; I518-L523 HydrophobicContact CG2-CG 3.57Å; T519-L523 PolarHBondContact O-N 2.89Å; T519-L523 VanDerWaalsContact O-N 3.16Å; R521-L523 VanDerWaalsContact C-N 3.34Å; L523-W525 VanDerWaalsContact C-N 3.31Å; L523-W525 PolarHBondContact O-N 3.46Å; L523-M526 PolarHBondContact O-N 2.93Å; L523-L527 WeakPolarHBondContact O-CB 2.89Å; L523-L527 VanDerWaalsContact O-CG 3.27Å; L523-L527 WeakPolarHBondContact O-CG 3.46Å; L523-L527 PolarHBondContact O-N 2.66Å
524	V	64.4	Low	46.6	Very low	65 Å²	65	126.6 Å²	126.6	39%	0.394	65%	0.646	S	S	.	*	H	α-helix	trans	-62.6	-39.9	177.1	166.8	0	0	0	0	111	T520 R521 L527 Q528	T520-V524 WeakPolarHBondContact O-CB 3.38Å; T520-V524 VanDerWaalsContact O-CG2 3.25Å; T520-V524 WeakPolarHBondContact O-CG2 3.49Å; T520-V524 PolarHBondContact O-N 2.87Å; R521-V524 PolarHBondContact O-N 2.94Å; V524-L527 PolarHBondContact O-N 2.95Å; V524-Q528 WeakPolarHBondContact O-CB 3.28Å; V524-Q528 WeakPolarHBondContact O-CG 3.28Å; V524-Q528 PolarHBondContact O-N 3.26Å; V524-Q528 VanDerWaalsContact O-N 3.07Å
525	W	58.7	Low	47.2	Very low	167 Å²	167	128.2 Å²	128.2	63%	0.633	65%	0.649	S	S	*	*	H	α-helix	trans	-64	-50.1	174.7	-169.3	80.1	0	0	0	111.4	R521 L523 L527 Q528 T529	R521-W525 VanDerWaalsContact O-CB 3.26Å; R521-W525 WeakPolarHBondContact O-CB 3.33Å; R521-W525 PolarHBondContact O-N 3.06Å; L523-W525 VanDerWaalsContact C-N 3.31Å; L523-W525 PolarHBondContact O-N 3.46Å; W525-L527 PolarHBondContact O-N 3.03Å; W525-Q528 CarbonylContact O-C 3.53Å; W525-Q528 PolarHBondContact O-N 2.96Å; W525-T529 HydrophobicContact CD2-CG2 4.08Å; W525-T529 HydrophobicContact CG-CG2 4.29Å; W525-T529 HydrophobicContact CZ2-CG2 4.03Å; W525-T529 PolarHBondContact O-N 2.88Å; W525-T529 PolarHBondContact O-OG1 3.07Å; W525-T529 VanDerWaalsContact O-OG1 3.05Å
526	M	52.9	Low	47.5	Very low	112 Å²	112	127.9 Å²	127.9	55%	0.552	65%	0.648	S	S	*	*	H	α-helix	trans	-57.7	-30	174.5	-78.9	175.8	54.3	0	0	114	I518 D522 L523	I518-M526 HydrophobicContact CD1-SD 4.37Å; D522-M526 WeakPolarHBondContact O-CB 3.25Å; D522-M526 WeakPolarHBondContact O-CG 3.28Å; D522-M526 PolarHBondContact O-N 3.08Å; L523-M526 PolarHBondContact O-N 2.93Å
527	L	59.6	Low	47.6	Very low	148 Å²	148	125.7 Å²	125.7	78%	0.775	63%	0.634	S	S	*	*	H	α-helix	trans	-81	-17	175	-72.2	167.3	0	0	0	113.4	L523 V524 W525	L523-L527 WeakPolarHBondContact O-CB 2.89Å; L523-L527 VanDerWaalsContact O-CG 3.27Å; L523-L527 WeakPolarHBondContact O-CG 3.46Å; L523-L527 PolarHBondContact O-N 2.66Å; V524-L527 PolarHBondContact O-N 2.95Å; W525-L527 PolarHBondContact O-N 3.03Å
528	Q	52.9	Low	48	Very low	148 Å²	148	124.4 Å²	124.4	69%	0.692	62%	0.62	S	S	*	*	H	α-helix	trans	-102.1	-29.3	-179.1	-73.6	172.1	-19.6	0	0	113.1	V524 W525	V524-Q528 WeakPolarHBondContact O-CB 3.28Å; V524-Q528 WeakPolarHBondContact O-CG 3.28Å; V524-Q528 PolarHBondContact O-N 3.26Å; V524-Q528 VanDerWaalsContact O-N 3.07Å; W525-Q528 CarbonylContact O-C 3.53Å; W525-Q528 PolarHBondContact O-N 2.96Å
529	T	56.6	Low	47.7	Very low	60 Å²	60	125.9 Å²	125.9	37%	0.368	63%	0.628	S	S	.	*	S	Bend	trans	-104.9	62.4	179.9	65.4	0	0	0	0	111	W525 E531	W525-T529 HydrophobicContact CD2-CG2 4.08Å; W525-T529 HydrophobicContact CG-CG2 4.29Å; W525-T529 HydrophobicContact CZ2-CG2 4.03Å; W525-T529 PolarHBondContact O-N 2.88Å; W525-T529 PolarHBondContact O-OG1 3.07Å; W525-T529 VanDerWaalsContact O-OG1 3.05Å; T529-E531 PolarHBondContact O-N 3.29Å
530	G	37.1	Very low	46.9	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	64%	0.635	S	S	*	*			trans	-71.3	36.9	-166.2	0	0	0	0	0	117.8
531	E	34.8	Very low	46.5	Very low	180 Å²	180	126.5 Å²	126.5	84%	0.841	62%	0.621	S	S	*	*			trans	-135.2	94.2	-176.8	-68	-174.4	130.8	0	0	112.3	T529	T529-E531 PolarHBondContact O-N 3.29Å
532	D	38.1	Very low	46.4	Very low	146 Å²	146	122.8 Å²	122.8	78%	0.781	61%	0.61	S	S	*	*				-171.6	137.2	123.2	-116.3	-25.3	0	0	0	112.2
533	R	33.1	Very low	45.9	Very low	241 Å²	241	125.4 Å²	125.4	91%	0.909	62%	0.621	S	S	*	*			trans	-101.2	108.9	-165.9	-64.9	-178.3	-179.3	-178.6	0.5	112.9
534	N	36.1	Very low	45.6	Very low	111 Å²	111	124.4 Å²	124.4	59%	0.594	62%	0.615	S	S	*	*			trans	-129.4	126.8	178	-67	-69.8	0	0	0	110.3	K536 T537	N534-K536 PolarHBondContact O-N 3.48Å; N534-T537 PolarHBondContact O-N 3.36Å; N534-T537 PolarHBondContact O-OG1 3.44Å
535	E	43.6	Very low	44.4	Very low	182 Å²	182	126.7 Å²	126.7	85%	0.85	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	-20.4	-167.2	-60.7	179.7	129	0	0	117.1	T537 D538	E535-T537 VanDerWaalsContact C-N 3.35Å; E535-D538 WeakPolarHBondContact O-CB 3.48Å; E535-D538 PolarHBondContact O-N 3.01Å
536	K	36.2	Very low	43.6	Very low	190 Å²	190	121.7 Å²	121.7	83%	0.826	62%	0.615	S	S	*	*	H	α-helix	trans	-69.6	-26.6	172.8	-68.7	178.3	-179.4	172.1	0	113.9	N534 D538	N534-K536 PolarHBondContact O-N 3.48Å; K536-D538 PolarHBondContact O-N 3.21Å
537	T	45.1	Very low	42.9	Very low	67 Å²	67	122.7 Å²	122.7	41%	0.411	62%	0.622	S	S	.	*	H	α-helix	trans	-65.4	-32.6	172.1	60.4	0	0	0	0	110.6	N534 E535 L539 F540 T541	N534-T537 PolarHBondContact O-N 3.36Å; N534-T537 PolarHBondContact O-OG1 3.44Å; E535-T537 VanDerWaalsContact C-N 3.35Å; T537-L539 PolarHBondContact O-N 3.36Å; T537-F540 CarbonylContact O-C 3.5Å; T537-F540 PolarHBondContact O-N 2.93Å; T537-F540 VanDerWaalsContact O-N 3.09Å; T537-T541 WeakPolarHBondContact O-CG2 3.41Å; T537-T541 PolarHBondContact O-N 3.18Å; T537-T541 PolarHBondContact O-OG1 3.46Å; T537-T541 VanDerWaalsContact O-OG1 3.08Å
538	D	41.1	Very low	41.8	Very low	76 Å²	76	124.1 Å²	124.1	41%	0.406	62%	0.623	S	S	.	*	H	α-helix	trans	-73.4	-27.6	-169.3	-140.2	62.9	0	0	0	113.6	E535 K536 T541 K542	E535-D538 WeakPolarHBondContact O-CB 3.48Å; E535-D538 PolarHBondContact O-N 3.01Å; K536-D538 PolarHBondContact O-N 3.21Å; D538-T541 WeakPolarHBondContact CA-OG1 3.47Å; D538-T541 PolarHBondContact O-OG1 3.29Å; D538-K542 WeakPolarHBondContact O-CB 3.5Å; D538-K542 VanDerWaalsContact O-CD 3.28Å; D538-K542 WeakPolarHBondContact O-CD 3.26Å; D538-K542 WeakPolarHBondContact O-CG 3.15Å; D538-K542 PolarHBondContact O-N 3.15Å; D538-K542 IonicContact OD2-NZ 3.34Å; D538-K542 PolarHBondContact OD2-NZ 3.46Å
539	L	45.1	Very low	41.1	Very low	134 Å²	134	121.9 Å²	121.9	70%	0.702	62%	0.619	S	S	*	*	H	α-helix	trans	-71.9	-43	166.3	-89.5	76.4	0	0	0	111.1	T537 K542 E543	T537-L539 PolarHBondContact O-N 3.36Å; L539-K542 PolarHBondContact O-N 2.85Å; L539-E543 VanDerWaalsContact O-CB 3.31Å; L539-E543 WeakPolarHBondContact O-CB 3.5Å; L539-E543 PolarHBondContact O-N 3.04Å
540	F	39.8	Very low	40.1	Very low	126 Å²	126	126.9 Å²	126.9	55%	0.553	64%	0.638	S	S	*	*	H	α-helix	trans	-70.3	-35.2	-176.3	-168.9	-114.6	0	0	0	112.6	T537 L544	T537-F540 CarbonylContact O-C 3.5Å; T537-F540 PolarHBondContact O-N 2.93Å; T537-F540 VanDerWaalsContact O-N 3.09Å; F540-L544 HydrophobicContact CD1-CD1 3.86Å; F540-L544 HydrophobicContact CE1-CD1 3.56Å; F540-L544 HydrophobicContact CE1-CG 4.49Å; F540-L544 HydrophobicContact CZ-CD1 3.97Å; F540-L544 WeakPolarHBondContact O-CB 3.42Å; F540-L544 VanDerWaalsContact O-CG 3.32Å; F540-L544 WeakPolarHBondContact O-CG 3.4Å; F540-L544 PolarHBondContact O-N 3.13Å
541	T	46.1	Very low	39.7	Very low	64 Å²	64	130.3 Å²	130.3	39%	0.393	64%	0.64	S	S	.	*	H	α-helix	trans	-73.2	-33.2	172.7	54.1	0	0	0	0	112.2	T537 D538 L545	T537-T541 WeakPolarHBondContact O-CG2 3.41Å; T537-T541 PolarHBondContact O-N 3.18Å; T537-T541 PolarHBondContact O-OG1 3.46Å; T537-T541 VanDerWaalsContact O-OG1 3.08Å; D538-T541 WeakPolarHBondContact CA-OG1 3.47Å; D538-T541 PolarHBondContact O-OG1 3.29Å; T541-L545 WeakPolarHBondContact O-CB 3.43Å; T541-L545 WeakPolarHBondContact O-CD1 3.26Å; T541-L545 PolarHBondContact O-N 3.04Å
542	K	48.7	Very low	39.3	Very low	132 Å²	132	127.7 Å²	127.7	57%	0.574	64%	0.636	S	S	*	*	H	α-helix	trans	-68.6	-41.9	171.3	-77.2	169.5	-179.6	144.2	0	112	D538 L539 L545 S546	D538-K542 WeakPolarHBondContact O-CB 3.5Å; D538-K542 VanDerWaalsContact O-CD 3.28Å; D538-K542 WeakPolarHBondContact O-CD 3.26Å; D538-K542 WeakPolarHBondContact O-CG 3.15Å; D538-K542 PolarHBondContact O-N 3.15Å; D538-K542 IonicContact OD2-NZ 3.34Å; D538-K542 PolarHBondContact OD2-NZ 3.46Å; L539-K542 PolarHBondContact O-N 2.85Å; K542-L545 PolarHBondContact O-N 3.47Å; K542-S546 VanDerWaalsContact O-CB 3.28Å; K542-S546 WeakPolarHBondContact O-CB 3.34Å; K542-S546 PolarHBondContact O-N 2.64Å
543	E	42.7	Very low	38.7	Very low	125 Å²	125	125.2 Å²	125.2	58%	0.584	64%	0.636	S	S	*	*	H	α-helix	trans	-63.1	-41.2	174.5	-167.3	167.4	-142.3	0	0	111	L539 L547	L539-E543 VanDerWaalsContact O-CB 3.31Å; L539-E543 WeakPolarHBondContact O-CB 3.5Å; L539-E543 PolarHBondContact O-N 3.04Å; E543-L547 WeakPolarHBondContact O-CD1 3.49Å; E543-L547 VanDerWaalsContact O-CG 3.26Å; E543-L547 WeakPolarHBondContact O-CG 3.29Å; E543-L547 PolarHBondContact O-N 3.36Å
544	L	44.1	Very low	38.3	Very low	67 Å²	67	119.2 Å²	119.2	35%	0.351	63%	0.631	S	S	.	*	H	α-helix	trans	-70.8	-43	174.1	-75.8	172.1	0	0	0	114	F540 S546 L547 F548	F540-L544 HydrophobicContact CD1-CD1 3.86Å; F540-L544 HydrophobicContact CE1-CD1 3.56Å; F540-L544 HydrophobicContact CE1-CG 4.49Å; F540-L544 HydrophobicContact CZ-CD1 3.97Å; F540-L544 WeakPolarHBondContact O-CB 3.42Å; F540-L544 VanDerWaalsContact O-CG 3.32Å; F540-L544 WeakPolarHBondContact O-CG 3.4Å; F540-L544 PolarHBondContact O-N 3.13Å; L544-S546 VanDerWaalsContact C-N 3.32Å; L544-S546 PolarHBondContact O-N 2.58Å; L544-L547 HydrophobicContact CD2-CD1 4.47Å; L544-L547 WeakPolarHBondContact O-CB 3.42Å; L544-L547 PolarHBondContact O-N 2.9Å; L544-L547 VanDerWaalsContact O-N 3.12Å; L544-F548 VanDerWaalsContact O-CD2 3.22Å; L544-F548 WeakPolarHBondContact O-CD2 3.4Å; L544-F548 PolarHBondContact O-N 3.45Å
545	L	40.3	Very low	37.9	Very low	113 Å²	113	120.2 Å²	120.2	59%	0.592	64%	0.641	S	S	*	*	H	α-helix	trans	-60.6	-45	175.2	-103	72.1	0	0	0	110.5	T541 K542 L547 F548 T549	T541-L545 WeakPolarHBondContact O-CB 3.43Å; T541-L545 WeakPolarHBondContact O-CD1 3.26Å; T541-L545 PolarHBondContact O-N 3.04Å; K542-L545 PolarHBondContact O-N 3.47Å; L545-L547 PolarHBondContact O-N 3.46Å; L545-F548 CarbonylContact O-C 3.52Å; L545-F548 PolarHBondContact O-N 3.35Å; L545-T549 WeakPolarHBondContact O-CG2 3.23Å; L545-T549 PolarHBondContact O-N 3.04Å; L545-T549 PolarHBondContact O-OG1 3.27Å
546	S	40.8	Very low	36.9	Very low	63 Å²	63	115.9 Å²	115.9	44%	0.441	63%	0.631	S	S	.	*	H	α-helix	trans	-61.8	-25.5	176.8	-159.7	0	0	0	0	113.1	K542 L544	K542-S546 VanDerWaalsContact O-CB 3.28Å; K542-S546 WeakPolarHBondContact O-CB 3.34Å; K542-S546 PolarHBondContact O-N 2.64Å; L544-S546 VanDerWaalsContact C-N 3.32Å; L544-S546 PolarHBondContact O-N 2.58Å
547	L	39.2	Very low	36.4	Very low	133 Å²	133	113.4 Å²	113.4	70%	0.696	63%	0.627	S	S	*	*	H	α-helix	trans	-80.8	-14.2	172.1	-75.1	166.5	0	0	0	114	E543 L544 L545	E543-L547 WeakPolarHBondContact O-CD1 3.49Å; E543-L547 VanDerWaalsContact O-CG 3.26Å; E543-L547 WeakPolarHBondContact O-CG 3.29Å; E543-L547 PolarHBondContact O-N 3.36Å; L544-L547 HydrophobicContact CD2-CD1 4.47Å; L544-L547 WeakPolarHBondContact O-CB 3.42Å; L544-L547 PolarHBondContact O-N 2.9Å; L544-L547 VanDerWaalsContact O-N 3.12Å; L545-L547 PolarHBondContact O-N 3.46Å
548	F	37	Very low	35.6	Very low	178 Å²	178	118.1 Å²	118.1	78%	0.781	65%	0.648	S	S	*	*	H	α-helix	trans	-110.3	-15	-179	-80	-63.8	0	0	0	114.8	L544 L545	L544-F548 VanDerWaalsContact O-CD2 3.22Å; L544-F548 WeakPolarHBondContact O-CD2 3.4Å; L544-F548 PolarHBondContact O-N 3.45Å; L545-F548 CarbonylContact O-C 3.52Å; L545-F548 PolarHBondContact O-N 3.35Å
549	T	37.7	Very low	35.2	Very low	101 Å²	101	119.1 Å²	119.1	62%	0.62	65%	0.653	S	S	*	*	H	α-helix	trans	-111.8	-12.5	-172	59.9	0	0	0	0	116.9	L545 N551	L545-T549 WeakPolarHBondContact O-CG2 3.23Å; L545-T549 PolarHBondContact O-N 3.04Å; L545-T549 PolarHBondContact O-OG1 3.27Å; T549-N551 PolarHBondContact O-N 3.47Å
550	E	34.7	Very low	34.4	Very low	164 Å²	164	117.8 Å²	117.8	77%	0.766	64%	0.643	S	S	*	*			trans	-83.4	111.7	-175.1	-69.4	-157	141.2	0	0	113.3
551	N	28.6	Very low	34	Very low	143 Å²	143	121.2 Å²	121.2	77%	0.765	66%	0.661	S	S	*	*			trans	-91.3	141.1	-177	-147.3	-2.7	0	0	0	111.4	T549	T549-N551 PolarHBondContact O-N 3.47Å
552	T	27	Very low	33.3	Very low	125 Å²	125	122 Å²	122	77%	0.767	68%	0.682	S	S	*	*			trans	50.7	102.1	165	56.7	0	0	0	0	119.3
553	A	25.8	Very low	32.4	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	70%	0.698	S	S	*	*				168.2	114.3	105.8	0	0	0	0	0	114.3
554	S	25.6	Very low	31.7	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	71%	0.714	S	S	*	*			trans	61.8	136.4	157.9	-62.3	0	0	0	0	120.7
555	T	25.6	Very low	30.9	Very low	132 Å²	132	138.7 Å²	138.7	81%	0.81	74%	0.742	S	S	*	*	S	Bend	trans	72.9	90.7	166.8	62.3	0	0	0	0	119.1
556	S	23.4	Very low	30.4	Very low	92 Å²	92	142 Å²	142	64%	0.643	75%	0.753	S	S	*	*			trans	56.1	100.9	144.5	64.3	0	0	0	0	120.3
557	L	26.4	Very low	29.9	Very low	138 Å²	138	147 Å²	147	72%	0.723	77%	0.77	S	S	*	*			trans	-161.8	127.6	138.5	-112.5	169.9	0	0	0	110.8
558	L	28.2	Very low	29.3	Very low	166 Å²	166	145.5 Å²	145.5	87%	0.869	77%	0.771	S	S	*	*			trans	-172.5	139.9	135.8	-107.4	166.5	0	0	0	111.7
559	L	32.2	Very low	28.9	Very low	96 Å²	96	148.3 Å²	148.3	50%	0.503	78%	0.776	S	S	.	*			trans	-86	150.9	169.1	-89.3	49.5	0	0	0	108.2	T142	T142-L559 HydrophobicContact CG2-CD2 4.31Å; T142-L559 HydrophobicContact CG2-CG 4.12Å
560	E	28.4	Very low	28.6	Very low	106 Å²	106	148.6 Å²	148.6	50%	0.495	78%	0.782	S	S	.	*			cis	74	76.6	28.3	-158.1	176.4	-154.6	0	0	114.4	T142	T142-E560 WeakPolarHBondContact CA-OE2 3.38Å; T142-E560 HydrophobicContact CG2-CB 4.3Å; T142-E560 HydrophobicContact CG2-CG 4.07Å
561	Q	32.3	Very low	28.4	Very low	199 Å²	199	148.3 Å²	148.3	93%	0.93	79%	0.785	S	S	*	*			trans	-128.7	134.5	155.1	-67.2	-164.7	21.3	0	0	109.7
562	G	30.5	Very low	28.6	Very low	81 Å²	81	147.3 Å²	147.3	84%	0.835	78%	0.78	S	S	*	*			trans	170.1	67.6	-177.4	0	0	0	0	0	114.3
563	R	30.7	Very low	29.2	Very low	242 Å²	242	146.8 Å²	146.8	91%	0.913	78%	0.777	S	S	*	*			trans	-88.7	130.9	173.6	-80	-176.5	171.4	-177	-0.8	111.3
564	R	27.2	Very low	29.4	Very low	243 Å²	243	146.4 Å²	146.4	92%	0.917	76%	0.762	S	S	*	*			trans	36.4	116.7	154.7	-75.9	-177.2	166.6	-173.9	-5.5	117.8
565	M	27.3	Very low	30.2	Very low	189 Å²	189	146.8 Å²	146.8	93%	0.931	76%	0.759	S	S	*	*			trans	-146.6	-178.6	139.7	-93.6	-109.2	-84.6	0	0	110.1
566	H	29.8	Very low	30.5	Very low	181 Å²	181	145.2 Å²	145.2	84%	0.838	76%	0.759	S	S	*	*			trans	-82.5	175	-154.2	-98.5	-123.4	0	0	0	117.2
567	Q	29.8	Very low	31.4	Very low	169 Å²	169	146.8 Å²	146.8	79%	0.79	75%	0.751	S	S	*	*			trans	-63.1	169.6	167.9	-60.6	169	-42.2	0	0	112.7
568	S	26.8	Very low	31.9	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	74%	0.744	S	S	*	*			trans	88	115.4	149.5	-61	0	0	0	0	119.9
569	R	29.2	Very low	32.4	Very low	237 Å²	237	145.4 Å²	145.4	89%	0.894	74%	0.744	S	S	*	*			trans	70	113.1	146.6	-60.6	-176.5	-179.4	-153	-0.9	118.7
570	S	30.4	Very low	32.9	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	76%	0.757	S	S	*	*			trans	11.2	128.7	142.4	55.4	0	0	0	0	119.7
571	L	31.8	Very low	33	Very low	157 Å²	157	149 Å²	149	82%	0.822	77%	0.766	S	S	*	*				-163.4	138.8	127	-101.3	154.8	0	0	0	112.1
572	D	32.8	Very low	33	Very low	123 Å²	123	147.2 Å²	147.2	66%	0.658	76%	0.758	S	S	*	*			trans	48.7	114.7	155.6	-60.9	-7.3	0	0	0	124.7	N574	D572-N574 VanDerWaalsContact C-N 3.32Å; D572-N574 PolarHBondContact O-N 3.26Å
573	T	38.6	Very low	33.2	Very low	114 Å²	114	149 Å²	149	70%	0.699	76%	0.758	S	S	*	*	S	Bend	trans	-79.2	54.8	175.8	52.7	0	0	0	0	113.8	R577	T573-R577 PolarHBondContact O-NH1 3.03Å; T573-R577 PolarHBondContact O-NH2 2.8Å
574	N	31.4	Very low	33	Very low	86 Å²	86	142.2 Å²	142.2	46%	0.46	75%	0.747	S	S	.	*			trans	-125.7	-3.3	-169.7	-76.4	-30.1	0	0	0	118.2	D572 R577	D572-N574 VanDerWaalsContact C-N 3.32Å; D572-N574 PolarHBondContact O-N 3.26Å; N574-R577 PolarHBondContact OD1-NH1 2.79Å
575	V	40.6	Very low	33.3	Very low	123 Å²	123	137.7 Å²	137.7	75%	0.745	74%	0.741	S	S	*	*	S	Bend	trans	-106	-21	177.3	-175	0	0	0	0	113.2	R577	V575-R577 PolarHBondContact O-N 3.15Å
576	A	33.5	Very low	33.6	Very low	99 Å²	99	137 Å²	137	82%	0.818	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	11.9	178.1	0	0	0	0	0	114.3
577	R	40.8	Very low	33.6	Very low	125 Å²	125	131.4 Å²	131.4	47%	0.472	72%	0.717	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.2	-26.4	-180	-161.3	177.7	-64.9	104.2	2.1	112.3	T573 N574 V575 L580	T573-R577 PolarHBondContact O-NH1 3.03Å; T573-R577 PolarHBondContact O-NH2 2.8Å; N574-R577 PolarHBondContact OD1-NH1 2.79Å; V575-R577 PolarHBondContact O-N 3.15Å; R577-L580 PolarHBondContact O-N 3.3Å
578	D	37.9	Very low	33.8	Very low	108 Å²	108	127.9 Å²	127.9	58%	0.578	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-2.9	-165	-55	-3.8	0	0	0	113.3
579	L	38.6	Very low	34	Very low	166 Å²	166	129.2 Å²	129.2	87%	0.869	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	11	170.2	-66.3	176.9	0	0	0	113
580	L	41.9	Very low	34	Very low	146 Å²	146	124 Å²	124	76%	0.764	70%	0.698	S	S	*	*	S	Bend	trans	-132.3	-1.2	176.7	-74.5	173.4	0	0	0	114.2	R577	R577-L580 PolarHBondContact O-N 3.3Å
581	N	30.5	Very low	34	Very low	131 Å²	131	126.7 Å²	126.7	70%	0.701	70%	0.703	S	S	*	*	S	Bend	trans	-152.1	69.2	179.7	-81.4	-62.1	0	0	0	113.6
582	E	33.8	Very low	33.7	Very low	163 Å²	163	122.9 Å²	122.9	76%	0.762	69%	0.689	S	S	*	*			trans	-155.5	121.3	152.1	-92.3	-57.1	158	0	0	104.8
583	S	33.8	Very low	33.4	Very low	117 Å²	117	123.6 Å²	123.6	82%	0.818	69%	0.693	S	S	*	*				-146.7	147	61.2	36.5	0	0	0	0	114.6
584	S	27.6	Very low	32.8	Very low	100 Å²	100	123.7 Å²	123.7	70%	0.699	69%	0.693	S	S	*	*			trans	-97.8	-174.5	179.9	-92.9	0	0	0	0	114.1
585	L	33.3	Very low	32.5	Very low	149 Å²	149	126.4 Å²	126.4	78%	0.78	71%	0.707	S	S	*	*			trans	87.3	129.2	178.8	-47.3	175.2	0	0	0	113.8
586	Q	32.9	Very low	31.8	Very low	173 Å²	173	127.1 Å²	127.1	81%	0.808	71%	0.706	S	S	*	*			cis	-149	-173.2	-4.6	-128.1	157.7	-9.9	0	0	110.8
587	S	29.3	Very low	31.4	Very low	65 Å²	65	127.5 Å²	127.5	46%	0.455	70%	0.699	S	S	.	*			trans	-155	-178.5	-165	63.4	0	0	0	0	110.7	K321	K321-S587 PolarHBondContact NZ-OG 2.89Å
588	P	34.8	Very low	30.8	Very low	95 Å²	95	128.1 Å²	128.1	62%	0.617	71%	0.711	S	S	*	*			cis	-136.2	-152.2	-3.2	31.1	-5.3	0	0	0	112.6
589	N	31.8	Very low	30.2	Very low	129 Å²	129	128.1 Å²	128.1	69%	0.69	72%	0.72	S	S	*	*			trans	75.6	152.2	155.8	-59.5	-15.4	0	0	0	117.9
590	N	27.7	Very low	29.9	Very low	128 Å²	128	124.8 Å²	124.8	68%	0.684	72%	0.716	S	S	*	*			cis	-168.1	156.3	-26.8	-109.6	-21.5	0	0	0	108.6
591	L	30.4	Very low	29.6	Very low	164 Å²	164	125.4 Å²	125.4	86%	0.859	72%	0.719	S	S	*	*			trans	62.2	166.3	164.3	-61.1	156.9	0	0	0	115.3
592	S	26	Very low	29.7	Very low	77 Å²	77	124.5 Å²	124.5	54%	0.538	72%	0.721	S	S	.	*			cis	-165.9	150.5	-42	57.8	0	0	0	0	109.3
593	N	26.7	Very low	29.4	Very low	137 Å²	137	124.5 Å²	124.5	73%	0.733	72%	0.721	S	S	*	*			trans	63	129.3	147.5	-61.5	-9.8	0	0	0	120.4
594	T	25.9	Very low	29.1	Very low	116 Å²	116	124.4 Å²	124.4	71%	0.712	72%	0.715	S	S	*	*			trans	71.5	125.7	130.7	54.9	0	0	0	0	122.4
595	L	25.6	Very low	29.1	Very low	143 Å²	143	127.1 Å²	127.1	75%	0.749	72%	0.721	S	S	*	*				74.4	107.3	129.9	-63.5	169.2	0	0	0	119.5
596	L	25.3	Very low	28.8	Very low	139 Å²	139	124.1 Å²	124.1	73%	0.728	71%	0.712	S	S	*	*				90.8	147.9	118.9	-74.1	175.2	0	0	0	121.3
597	T	25.6	Very low	28.7	Very low	107 Å²	107	121.1 Å²	121.1	66%	0.656	71%	0.706	S	S	*	*			trans	78.8	137.4	145.1	36.5	0	0	0	0	120.5
598	D	27	Very low	28.8	Very low	138 Å²	138	124 Å²	124	74%	0.738	72%	0.716	S	S	*	*			trans	63	101	148.5	-52.3	-7.3	0	0	0	117.5
599	S	26.6	Very low	28.7	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	71%	0.713	S	S	*	*				76.4	112.2	56.7	82.4	0	0	0	0	114.4
600	A	31.3	Very low	28.7	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	72%	0.717	S	S	*	*			trans	-171.2	130.6	144.3	0	0	0	0	0	110.4
601	L	35	Very low	28.9	Very low	160 Å²	160	125.7 Å²	125.7	84%	0.838	72%	0.715	S	S	*	*			trans	-73	143.9	144.2	-73.5	161.6	0	0	0	106.7
602	P	33.4	Very low	29	Very low	112 Å²	112	125.9 Å²	125.9	73%	0.727	72%	0.715	S	S	*	*				-120.7	152.4	85.1	-6.5	28.9	0	0	0	111.8
603	E	27.5	Very low	29.5	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.762	72%	0.722	S	S	*	*			cis	63.7	109.5	43.1	-167.9	-175.6	-103.8	0	0	113.4
604	T	28	Very low	29.6	Very low	114 Å²	114	125 Å²	125	70%	0.699	73%	0.725	S	S	*	*			trans	168.5	136.2	131.6	33	0	0	0	0	112.5
605	L	26.6	Very low	29.9	Very low	158 Å²	158	125.4 Å²	125.4	83%	0.827	73%	0.727	S	S	*	*			trans	55.2	138.9	133.6	-57.2	170.6	0	0	0	121.2
606	S	27.9	Very low	30	Very low	86 Å²	86	123.8 Å²	123.8	60%	0.601	73%	0.728	S	S	*	*			cis	-169.9	167.2	-8.6	53.8	0	0	0	0	114.3
607	T	29.6	Very low	30.4	Very low	110 Å²	110	121.7 Å²	121.7	68%	0.675	73%	0.725	S	S	*	*			trans	68.7	126.3	141.3	42.8	0	0	0	0	121.3
608	D	32.5	Very low	30.4	Very low	125 Å²	125	124.1 Å²	124.1	67%	0.668	73%	0.729	S	S	*	*				88.7	134.2	129.5	-71.2	6	0	0	0	121.3
609	Q	32.2	Very low	30.4	Very low	118 Å²	118	125.3 Å²	125.3	55%	0.551	73%	0.732	S	S	*	*			cis	-166	154.6	-20.1	-132.5	176.5	72.2	0	0	110.3
610	K	31.6	Very low	30.5	Very low	176 Å²	176	126.7 Å²	126.7	77%	0.765	74%	0.736	S	S	*	*			trans	67.6	147.6	157.7	-76.1	159.7	177.8	152.1	0	117.1
611	S	32.6	Very low	30.4	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	73%	0.733	S	S	*	*			cis	-165	146.5	-2.4	43.1	0	0	0	0	114.6
612	I	32.9	Very low	30.1	Very low	168 Å²	168	127.4 Å²	127.4	86%	0.862	73%	0.726	S	S	*	*			trans	71.6	127.2	150.8	-64	155.2	0	0	0	117.3
613	G	35	Very low	29.8	Very low	66 Å²	66	128.6 Å²	128.6	68%	0.68	73%	0.726	S	S	*	*			trans	-176.9	-20.3	170.7	0	0	0	0	0	123
614	T	30.5	Very low	29.8	Very low	131 Å²	131	126.6 Å²	126.6	80%	0.804	73%	0.73	S	S	*	*			trans	28.7	131.2	155.7	43.3	0	0	0	0	120.6
615	V	32.4	Very low	29.7	Very low	123 Å²	123	128.8 Å²	128.8	75%	0.745	74%	0.737	S	S	*	*			cis	-154	132.5	18.2	179.6	0	0	0	0	106
616	S	27.9	Very low	29.6	Very low	109 Å²	109	126.8 Å²	126.8	76%	0.762	74%	0.735	S	S	*	*				77.9	161	63.3	-36.2	0	0	0	0	116.7
617	S	32.1	Very low	29.7	Very low	96 Å²	96	132 Å²	132	67%	0.671	75%	0.75	S	S	*	*			trans	79.8	99	-179.1	-126.2	0	0	0	0	116
618	E	27.2	Very low	29.4	Very low	157 Å²	157	137.4 Å²	137.4	73%	0.734	76%	0.759	S	S	*	*				90.2	123.7	65.1	-72.9	157.7	122.7	0	0	111.4
619	M	25.8	Very low	29.1	Very low	164 Å²	164	139.9 Å²	139.9	81%	0.808	77%	0.767	S	S	*	*				83.6	150.9	53.8	-163	163.2	82.9	0	0	112.1
620	T	29.8	Very low	28.9	Very low	136 Å²	136	139 Å²	139	83%	0.834	77%	0.774	S	S	*	*			trans	82.4	151.9	-165.9	75.3	0	0	0	0	115
621	N	28.8	Very low	28.7	Very low	138 Å²	138	138.8 Å²	138.8	74%	0.738	78%	0.781	S	S	*	*			cis	-150.4	162.6	-29.6	-163.7	-58.2	0	0	0	109.1
622	I	27.7	Very low	28.9	Very low	132 Å²	132	143.8 Å²	143.8	68%	0.677	79%	0.791	S	S	*	*			trans	-61.7	161.9	-173.9	-34.4	155	0	0	0	114.3
623	N	27.5	Very low	28.8	Very low	138 Å²	138	141 Å²	141	74%	0.738	78%	0.784	S	S	*	*			trans	89.1	150.5	153.7	-67.7	-46.7	0	0	0	121.3
624	S	28	Very low	28.5	Very low	120 Å²	120	146 Å²	146	84%	0.839	79%	0.793	S	S	*	*			trans	69.7	150.5	172.1	77.9	0	0	0	0	116.9
625	L	26.5	Very low	28.5	Very low	161 Å²	161	146.6 Å²	146.6	84%	0.843	79%	0.791	S	S	*	*			cis	-157.8	160.1	-29.9	177.5	59	0	0	0	107.2	Q627	L625-Q627 PolarHBondContact O-N 3.29Å
626	C	24.1	Very low	28.6	Very low	116 Å²	116	146.5 Å²	146.5	78%	0.784	79%	0.792	S	S	*	*			trans	-51.4	129.7	-178.1	-59.6	0	0	0	0	114.7
627	Q	28.6	Very low	28.8	Very low	196 Å²	196	148.5 Å²	148.5	92%	0.916	80%	0.795	S	S	*	*			trans	-150.1	159.2	148	-118.9	168.7	55.5	0	0	112.6	L625	L625-Q627 PolarHBondContact O-N 3.29Å
628	Y	24.4	Very low	28.9	Very low	223 Å²	223	149.5 Å²	149.5	88%	0.875	80%	0.802	S	S	*	*			trans	-88.4	175.1	-167.8	-104.9	-110.2	0	0	0	113.3
629	Q	25.6	Very low	29.1	Very low	176 Å²	176	147.4 Å²	147.4	82%	0.822	80%	0.804	S	S	*	*			trans	82.9	103.3	162.8	-69	175.9	7	0	0	119.4
630	S	27.7	Very low	29.7	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	80%	0.803	S	S	*	*			trans	44.4	113.2	133.6	61.4	0	0	0	0	120.7
631	N	27.8	Very low	30	Very low	172 Å²	172	144.5 Å²	144.5	92%	0.92	79%	0.792	S	S	*	*				-155.9	155.8	125.9	-98.5	-46.3	0	0	0	111.3
632	K	37.8	Very low	30.8	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.857	79%	0.789	S	S	*	*			trans	-112.7	147.3	177.3	-113.1	-176.2	179.4	180	0	109.4
633	P	30.5	Very low	32	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	79%	0.788	S	S	*	*				-150.5	163.1	121.1	37.6	-21.3	0	0	0	117
634	I	28.6	Very low	33	Very low	169 Å²	169	140.5 Å²	140.5	87%	0.867	78%	0.782	S	S	*	*			trans	69	134.2	152.8	-66	154.5	0	0	0	119.3
635	L	30.3	Very low	34.1	Very low	145 Å²	145	140.6 Å²	140.6	76%	0.759	77%	0.769	S	S	*	*			trans	-158.5	126.8	177.1	-156.1	168.7	0	0	0	107.5
636	P	34.1	Very low	35.4	Very low	120 Å²	120	138.2 Å²	138.2	78%	0.779	75%	0.754	S	S	*	*			trans	-71.9	152.1	177.3	30.2	-35.6	0	0	0	111.8
637	N	31.7	Very low	37.1	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	74%	0.742	S	S	*	*			trans	-138.5	160.7	-162	-138	-18.4	0	0	0	113.5
638	S	35.3	Very low	38.4	Very low	117 Å²	117	131.6 Å²	131.6	82%	0.818	72%	0.717	S	S	*	*			trans	74	146.6	176.7	86.8	0	0	0	0	116.3
639	S	29.7	Very low	40.5	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	69%	0.694	S	S	*	*			cis	-150.9	105.5	-0.7	176.5	0	0	0	0	111.8
640	V	38.8	Very low	42.5	Very low	130 Å²	130	122.4 Å²	122.4	79%	0.788	68%	0.682	S	S	*	*	S	Bend	trans	-142	153	173.9	-174	0	0	0	0	110	T642	V640-T642 PolarHBondContact O-N 3.42Å
641	D	37.6	Very low	44.3	Very low	110 Å²	110	122.1 Å²	122.1	59%	0.588	67%	0.669	S	S	*	*			trans	-57.1	84.9	-172.1	-73.4	-63.4	0	0	0	115.7	S643 L644 H645	D641-S643 PolarHBondContact O-N 3.45Å; D641-L644 HydrophobicContact CB-CB 3.98Å; D641-L644 PolarHBondContact O-N 3.42Å; D641-H645 WeakPolarHBondContact O-CB 3.24Å; D641-H645 PolarHBondContact O-N 3.36Å
642	T	44.6	Very low	46.5	Very low	113 Å²	113	118.1 Å²	118.1	69%	0.693	65%	0.647	S	S	*	*	H	α-helix	trans	-62.7	-26.8	177.2	51.9	0	0	0	0	113.5	V640 Q646	V640-T642 PolarHBondContact O-N 3.42Å; T642-Q646 WeakPolarHBondContact O-CB 3.25Å; T642-Q646 PolarHBondContact O-N 2.86Å
643	S	52.9	Low	48.1	Very low	91 Å²	91	113.2 Å²	113.2	64%	0.636	63%	0.634	S	S	*	*	H	α-helix	trans	-71.4	-44.2	176.4	62.5	0	0	0	0	112.4	D641 H647	D641-S643 PolarHBondContact O-N 3.45Å; S643-H647 WeakPolarHBondContact O-CB 3.28Å; S643-H647 PolarHBondContact O-N 3.47Å
644	L	48.7	Very low	50.1	Low	120 Å²	120	114.4 Å²	114.4	63%	0.628	62%	0.624	S	S	*	*	H	α-helix	trans	-72.3	-42.1	178.2	-162	157.5	0	0	0	110.2	D641 H647 C648	D641-L644 HydrophobicContact CB-CB 3.98Å; D641-L644 PolarHBondContact O-N 3.42Å; L644-H647 PolarHBondContact O-N 2.91Å; L644-C648 WeakPolarHBondContact O-CB 3.43Å; L644-C648 PolarHBondContact O-N 2.86Å
645	H	50.5	Low	52	Low	122 Å²	122	111.9 Å²	111.9	57%	0.565	61%	0.608	S	S	*	*	H	α-helix	trans	-62.7	-45.2	175	-168.7	28.6	0	0	0	111.8	D641 H647 C648 I649	D641-H645 WeakPolarHBondContact O-CB 3.24Å; D641-H645 PolarHBondContact O-N 3.36Å; H645-H647 PolarHBondContact O-N 3.33Å; H645-C648 WeakPolarHBondContact O-CB 3.29Å; H645-C648 PolarHBondContact O-N 3.41Å; H645-I649 WeakPolarHBondContact O-CG1 3.36Å; H645-I649 PolarHBondContact O-N 2.97Å
646	Q	54.4	Low	54	Low	111 Å²	111	109.4 Å²	109.4	52%	0.519	60%	0.596	S	S	.	*	H	α-helix	trans	-68.5	-31	176.7	-165.4	-171.8	98.3	0	0	112.7	T642 K650	T642-Q646 WeakPolarHBondContact O-CB 3.25Å; T642-Q646 PolarHBondContact O-N 2.86Å; Q646-K650 WeakPolarHBondContact O-CB 3.37Å; Q646-K650 WeakPolarHBondContact O-CG 3.37Å; Q646-K650 PolarHBondContact O-N 3.28Å
647	H	60.1	Low	55.9	Low	114 Å²	114	110.8 Å²	110.8	53%	0.528	59%	0.586	S	S	.	*	H	α-helix	trans	-65.4	-45.3	169.3	-172.3	87.1	0	0	0	111.1	S643 L644 H645 K650 Q651	S643-H647 WeakPolarHBondContact O-CB 3.28Å; S643-H647 PolarHBondContact O-N 3.47Å; L644-H647 PolarHBondContact O-N 2.91Å; H645-H647 PolarHBondContact O-N 3.33Å; H647-K650 PolarHBondContact O-N 2.95Å; H647-Q651 PolarHBondContact NE2-NE2 3.04Å; H647-Q651 WeakPolarHBondContact O-CG 3.25Å; H647-Q651 PolarHBondContact O-N 3.25Å
648	C	54.4	Low	57.7	Low	59 Å²	59	106.9 Å²	106.9	40%	0.399	57%	0.565	S	S	.	*	H	α-helix	trans	-61.9	-43.9	178.1	-161.3	0	0	0	0	111.8	L644 H645 K650 Q651 L652	L644-C648 WeakPolarHBondContact O-CB 3.43Å; L644-C648 PolarHBondContact O-N 2.86Å; H645-C648 WeakPolarHBondContact O-CB 3.29Å; H645-C648 PolarHBondContact O-N 3.41Å; C648-K650 PolarHBondContact O-N 3.23Å; C648-Q651 PolarHBondContact O-N 3.05Å; C648-L652 WeakPolarHBondContact O-CB 3.19Å; C648-L652 WeakPolarHBondContact O-CG 3.24Å; C648-L652 PolarHBondContact O-N 2.81Å
649	I	70	Confident	59.4	Low	77 Å²	77	105.9 Å²	105.9	40%	0.395	55%	0.55	S	S	.	.	H	α-helix	trans	-59.6	-45.1	172.9	-68.4	163.8	0	0	0	110.9	H645 Q651 L652 V653	H645-I649 WeakPolarHBondContact O-CG1 3.36Å; H645-I649 PolarHBondContact O-N 2.97Å; I649-Q651 VanDerWaalsContact C-N 3.32Å; I649-Q651 PolarHBondContact O-N 2.83Å; I649-L652 PolarHBondContact O-N 3.22Å; I649-V653 HydrophobicContact CG2-CG2 4.32Å; I649-V653 WeakPolarHBondContact O-CB 3.47Å; I649-V653 WeakPolarHBondContact O-CG2 3.48Å; I649-V653 PolarHBondContact O-N 3.45Å
650	K	67.4	Low	61.6	Low	129 Å²	129	109 Å²	109	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-62	-36.9	176.3	-79.6	170.4	173.6	165.2	0	112.6	Q646 H647 C648 R654	Q646-K650 WeakPolarHBondContact O-CB 3.37Å; Q646-K650 WeakPolarHBondContact O-CG 3.37Å; Q646-K650 PolarHBondContact O-N 3.28Å; H647-K650 PolarHBondContact O-N 2.95Å; C648-K650 PolarHBondContact O-N 3.23Å; K650-R654 VanDerWaalsContact O-CB 3.31Å; K650-R654 WeakPolarHBondContact O-CB 3.44Å; K650-R654 PolarHBondContact O-N 3.33Å
651	Q	66.1	Low	63.6	Low	93 Å²	93	105.1 Å²	105.1	44%	0.435	52%	0.521	S	S	.	.	H	α-helix	trans	-69.4	-41.8	173.7	-65	-69.4	1.6	0	0	112.1	H647 C648 I649 R654 Q655	H647-Q651 PolarHBondContact NE2-NE2 3.04Å; H647-Q651 WeakPolarHBondContact O-CG 3.25Å; H647-Q651 PolarHBondContact O-N 3.25Å; C648-Q651 PolarHBondContact O-N 3.05Å; I649-Q651 VanDerWaalsContact C-N 3.32Å; I649-Q651 PolarHBondContact O-N 2.83Å; Q651-R654 WeakPolarHBondContact O-CB 3.44Å; Q651-R654 PolarHBondContact O-N 3.47Å; Q651-Q655 WeakPolarHBondContact O-CG 3.49Å; Q651-Q655 PolarHBondContact O-N 3.24Å
652	L	72.4	Confident	65.7	Low	89 Å²	89	106.3 Å²	106.3	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-43	176.8	-77.5	164.5	0	0	0	112.2	C648 I649 R654 Q655 N656	C648-L652 WeakPolarHBondContact O-CB 3.19Å; C648-L652 WeakPolarHBondContact O-CG 3.24Å; C648-L652 PolarHBondContact O-N 2.81Å; I649-L652 PolarHBondContact O-N 3.22Å; L652-R654 VanDerWaalsContact C-N 3.33Å; L652-Q655 PolarHBondContact O-N 3.37Å; L652-N656 WeakPolarHBondContact O-CB 3.31Å; L652-N656 PolarHBondContact O-N 2.92Å; L652-N656 PolarHBondContact O-ND2 2.75Å
653	V	72.2	Confident	67.2	Low	94 Å²	94	105.6 Å²	105.6	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-63.1	-41.1	173.3	171.3	0	0	0	0	110.6	I649 N656 W657	I649-V653 HydrophobicContact CG2-CG2 4.32Å; I649-V653 WeakPolarHBondContact O-CB 3.47Å; I649-V653 WeakPolarHBondContact O-CG2 3.48Å; I649-V653 PolarHBondContact O-N 3.45Å; V653-N656 PolarHBondContact O-N 3.14Å; V653-W657 PolarHBondContact O-N 3.17Å
654	R	71.6	Confident	68.4	Low	135 Å²	135	106.8 Å²	106.8	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-48.2	175.9	-172.7	70.5	-158.5	-160.2	6	112	K650 Q651 L652 N656 W657 D658	K650-R654 VanDerWaalsContact O-CB 3.31Å; K650-R654 WeakPolarHBondContact O-CB 3.44Å; K650-R654 PolarHBondContact O-N 3.33Å; Q651-R654 WeakPolarHBondContact O-CB 3.44Å; Q651-R654 PolarHBondContact O-N 3.47Å; L652-R654 VanDerWaalsContact C-N 3.33Å; R654-N656 VanDerWaalsContact C-N 3.35Å; R654-N656 PolarHBondContact O-N 2.96Å; R654-W657 PolarHBondContact O-N 3.42Å; R654-D658 IonicContact CZ-OD1 2.75Å; R654-D658 IonicContact NE-OD1 2.78Å; R654-D658 PolarHBondContact NE-OD1 2.88Å; R654-D658 IonicContact NE-OD2 2.7Å; R654-D658 IonicContact NH2-OD1 2.96Å; R654-D658 PolarHBondContact NH2-OD1 2.86Å; R654-D658 VanDerWaalsContact O-CG 3.28Å; R654-D658 PolarHBondContact O-N 2.97Å
655	Q	68.3	Low	69.8	Low	116 Å²	116	106.4 Å²	106.4	54%	0.542	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-37.5	177.7	-73.6	-177.3	-6.2	0	0	112.5	Q651 L652 W657 L659	Q651-Q655 WeakPolarHBondContact O-CG 3.49Å; Q651-Q655 PolarHBondContact O-N 3.24Å; L652-Q655 PolarHBondContact O-N 3.37Å; Q655-W657 VanDerWaalsContact C-N 3.34Å; Q655-L659 VanDerWaalsContact O-CB 3.23Å; Q655-L659 WeakPolarHBondContact O-CB 3.49Å; Q655-L659 WeakPolarHBondContact O-CD1 3.36Å; Q655-L659 VanDerWaalsContact O-CG 3.25Å; Q655-L659 WeakPolarHBondContact O-CG 3.43Å; Q655-L659 PolarHBondContact O-N 3.43Å
656	N	73	Confident	70.8	Confident	93 Å²	93	103.8 Å²	103.8	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-36.2	173.5	-86.6	-88.1	0	0	0	112.5	L652 V653 R654 R660	L652-N656 WeakPolarHBondContact O-CB 3.31Å; L652-N656 PolarHBondContact O-N 2.92Å; L652-N656 PolarHBondContact O-ND2 2.75Å; V653-N656 PolarHBondContact O-N 3.14Å; R654-N656 VanDerWaalsContact C-N 3.35Å; R654-N656 PolarHBondContact O-N 2.96Å; N656-R660 WeakPolarHBondContact O-CB 3.41Å; N656-R660 WeakPolarHBondContact O-CG 3.25Å; N656-R660 PolarHBondContact O-N 2.86Å
657	W	73.2	Confident	71.8	Confident	150 Å²	150	102 Å²	102	57%	0.568	49%	0.491	S	S	*	.	H	α-helix	trans	-68.8	-49.9	174.3	-171.6	86	0	0	0	111.4	V653 R654 Q655 L659 R660 T661	V653-W657 PolarHBondContact O-N 3.17Å; R654-W657 PolarHBondContact O-N 3.42Å; Q655-W657 VanDerWaalsContact C-N 3.34Å; W657-L659 VanDerWaalsContact C-N 3.26Å; W657-L659 PolarHBondContact O-N 3.24Å; W657-R660 PolarHBondContact O-N 3.27Å; W657-R660 VanDerWaalsContact O-N 3.13Å; W657-T661 PolarHBondContact O-N 2.93Å; W657-T661 PolarHBondContact O-OG1 3.4Å
658	D	70.8	Confident	72.8	Confident	70 Å²	70	99.6 Å²	99.6	37%	0.374	48%	0.482	S	S	.	.	H	α-helix	trans	-59.7	-36.7	177.4	-61.2	-33.5	0	0	0	111.1	R654 W662	R654-D658 IonicContact CZ-OD1 2.75Å; R654-D658 IonicContact NE-OD1 2.78Å; R654-D658 PolarHBondContact NE-OD1 2.88Å; R654-D658 IonicContact NE-OD2 2.7Å; R654-D658 IonicContact NH2-OD1 2.96Å; R654-D658 PolarHBondContact NH2-OD1 2.86Å; R654-D658 VanDerWaalsContact O-CG 3.28Å; R654-D658 PolarHBondContact O-N 2.97Å; D658-W662 WeakPolarHBondContact O-CB 3.44Å; D658-W662 PolarHBondContact O-N 3.2Å
659	L	70.4	Confident	73.9	Confident	96 Å²	96	103.8 Å²	103.8	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-44.3	172.9	-82.3	166.3	0	0	0	113	Q655 W657 W662 L663	Q655-L659 VanDerWaalsContact O-CB 3.23Å; Q655-L659 WeakPolarHBondContact O-CB 3.49Å; Q655-L659 WeakPolarHBondContact O-CD1 3.36Å; Q655-L659 VanDerWaalsContact O-CG 3.25Å; Q655-L659 WeakPolarHBondContact O-CG 3.43Å; Q655-L659 PolarHBondContact O-N 3.43Å; W657-L659 VanDerWaalsContact C-N 3.26Å; W657-L659 PolarHBondContact O-N 3.24Å; L659-W662 PolarHBondContact O-N 3.2Å; L659-L663 WeakPolarHBondContact O-CG 3.5Å; L659-L663 PolarHBondContact O-N 2.85Å
660	R	77.2	Confident	74.1	Confident	178 Å²	178	105.2 Å²	105.2	67%	0.672	50%	0.498	S	S	*	.	H	α-helix	trans	-62.7	-42.8	175.6	-78.9	174	173.4	-108.3	0.9	111.3	N656 W657 W662 L663 N664	N656-R660 WeakPolarHBondContact O-CB 3.41Å; N656-R660 WeakPolarHBondContact O-CG 3.25Å; N656-R660 PolarHBondContact O-N 2.86Å; W657-R660 PolarHBondContact O-N 3.27Å; W657-R660 VanDerWaalsContact O-N 3.13Å; R660-W662 VanDerWaalsContact C-N 3.32Å; R660-W662 PolarHBondContact O-N 3.49Å; R660-L663 PolarHBondContact O-N 3.19Å; R660-N664 PolarHBondContact O-N 2.87Å; R660-N664 PolarHBondContact O-OD1 3.46Å
661	T	79.4	Confident	74.6	Confident	47 Å²	47	104.7 Å²	104.7	29%	0.288	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-41.4	173.8	-55.4	0	0	0	0	111.6	W657 Q665	W657-T661 PolarHBondContact O-N 2.93Å; W657-T661 PolarHBondContact O-OG1 3.4Å; T661-Q665 WeakPolarHBondContact O-CB 3.49Å; T661-Q665 WeakPolarHBondContact O-CG 3.4Å; T661-Q665 PolarHBondContact O-N 3.3Å
662	W	81.5	Confident	75.2	Confident	136 Å²	136	107.3 Å²	107.3	52%	0.515	50%	0.503	S	S	.	.	H	α-helix	trans	-68.3	-39.6	177.3	-177.5	77.9	0	0	0	113.4	D658 L659 R660 Q665 M666	D658-W662 WeakPolarHBondContact O-CB 3.44Å; D658-W662 PolarHBondContact O-N 3.2Å; L659-W662 PolarHBondContact O-N 3.2Å; R660-W662 VanDerWaalsContact C-N 3.32Å; R660-W662 PolarHBondContact O-N 3.49Å; W662-Q665 PolarHBondContact O-N 2.96Å; W662-M666 HydrophobicContact CD2-CG 4.13Å; W662-M666 HydrophobicContact CE3-CG 4.41Å; W662-M666 HydrophobicContact CH2-CE 4.4Å; W662-M666 HydrophobicContact CH2-CG 3.94Å; W662-M666 HydrophobicContact CZ2-CE 4.19Å; W662-M666 HydrophobicContact CZ2-CG 3.6Å; W662-M666 HydrophobicContact CZ2-SD 4.11Å; W662-M666 HydrophobicContact CZ3-CG 4.33Å; W662-M666 PolarHBondContact O-N 2.93Å
663	L	76.8	Confident	75.2	Confident	98 Å²	98	107.5 Å²	107.5	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-46	175	-75.5	170	0	0	0	111.4	L659 R660 Q665 M666 S667	L659-L663 WeakPolarHBondContact O-CG 3.5Å; L659-L663 PolarHBondContact O-N 2.85Å; R660-L663 PolarHBondContact O-N 3.19Å; L663-Q665 VanDerWaalsContact C-N 3.3Å; L663-Q665 PolarHBondContact O-N 2.92Å; L663-M666 PolarHBondContact O-N 3.29Å; L663-M666 VanDerWaalsContact O-N 3.08Å; L663-S667 PolarHBondContact O-N 2.83Å
664	N	78.5	Confident	75.2	Confident	115 Å²	115	109.4 Å²	109.4	62%	0.615	51%	0.507	S	S	*	.	H	α-helix	trans	-60.3	-40.9	175.5	-68.6	17	0	0	0	111.5	R660 M666 S667 D668	R660-N664 PolarHBondContact O-N 2.87Å; R660-N664 PolarHBondContact O-OD1 3.46Å; N664-M666 VanDerWaalsContact C-N 3.34Å; N664-M666 PolarHBondContact O-N 3.25Å; N664-S667 PolarHBondContact O-N 3.33Å; N664-D668 PolarHBondContact O-N 3.12Å
665	Q	77.3	Confident	75.2	Confident	113 Å²	113	107.6 Å²	107.6	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-67.5	-28.7	174.4	-75.5	178.2	-3.4	0	0	113.7	T661 W662 L663 R669	T661-Q665 WeakPolarHBondContact O-CB 3.49Å; T661-Q665 WeakPolarHBondContact O-CG 3.4Å; T661-Q665 PolarHBondContact O-N 3.3Å; W662-Q665 PolarHBondContact O-N 2.96Å; L663-Q665 VanDerWaalsContact C-N 3.3Å; L663-Q665 PolarHBondContact O-N 2.92Å; Q665-R669 WeakPolarHBondContact O-CB 3.32Å; Q665-R669 WeakPolarHBondContact O-CG 3.39Å; Q665-R669 PolarHBondContact O-N 3.08Å
666	M	71.4	Confident	75.2	Confident	66 Å²	66	107.4 Å²	107.4	33%	0.325	51%	0.509	S	S	.	.	H	α-helix	trans	-77.6	-33.6	172.4	-77	-68.5	-79.6	0	0	111.9	W662 L663 N664 R669 L670	W662-M666 HydrophobicContact CD2-CG 4.13Å; W662-M666 HydrophobicContact CE3-CG 4.41Å; W662-M666 HydrophobicContact CH2-CE 4.4Å; W662-M666 HydrophobicContact CH2-CG 3.94Å; W662-M666 HydrophobicContact CZ2-CE 4.19Å; W662-M666 HydrophobicContact CZ2-CG 3.6Å; W662-M666 HydrophobicContact CZ2-SD 4.11Å; W662-M666 HydrophobicContact CZ3-CG 4.33Å; W662-M666 PolarHBondContact O-N 2.93Å; L663-M666 PolarHBondContact O-N 3.29Å; L663-M666 VanDerWaalsContact O-N 3.08Å; N664-M666 VanDerWaalsContact C-N 3.34Å; N664-M666 PolarHBondContact O-N 3.25Å; M666-R669 PolarHBondContact O-N 3.48Å; M666-L670 WeakPolarHBondContact O-CB 3.43Å; M666-L670 WeakPolarHBondContact O-CG 3.17Å; M666-L670 PolarHBondContact O-N 3.46Å
667	S	76.2	Confident	74.6	Confident	73 Å²	73	107 Å²	107	51%	0.51	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-54.2	174.1	-156.7	0	0	0	0	111.3	L663 N664 R669 L670 E671	L663-S667 PolarHBondContact O-N 2.83Å; N664-S667 PolarHBondContact O-N 3.33Å; S667-R669 PolarHBondContact O-N 3.17Å; S667-L670 PolarHBondContact O-N 2.88Å; S667-E671 WeakPolarHBondContact O-CB 3.32Å; S667-E671 PolarHBondContact O-N 3.02Å
668	D	79.9	Confident	73.8	Confident	64 Å²	64	102.8 Å²	102.8	34%	0.342	50%	0.503	S	S	.	.	H	α-helix	trans	-56.3	-32.6	174.7	171.1	54.2	0	0	0	112.3	N664 R672	N664-D668 PolarHBondContact O-N 3.12Å; D668-R672 VanDerWaalsContact CG-NE 3.32Å; D668-R672 VanDerWaalsContact CG-NH2 3.28Å; D668-R672 WeakPolarHBondContact O-CB 3.19Å; D668-R672 WeakPolarHBondContact O-CD 3.39Å; D668-R672 WeakPolarHBondContact O-CG 3.43Å; D668-R672 PolarHBondContact O-N 3.15Å; D668-R672 VanDerWaalsContact O-N 3.15Å; D668-R672 IonicContact OD1-CZ 3.66Å; D668-R672 IonicContact OD1-NE 2.76Å; D668-R672 PolarHBondContact OD1-NE 3.22Å; D668-R672 IonicContact OD1-NH2 2.64Å; D668-R672 PolarHBondContact OD1-NH2 2.81Å; D668-R672 IonicContact OD2-CZ 2.61Å; D668-R672 IonicContact OD2-NE 2.67Å; D668-R672 PolarHBondContact OD2-NE 3.12Å; D668-R672 IonicContact OD2-NH2 3.82Å; D668-R672 PolarHBondContact OD2-NH2 2.87Å
669	R	77.4	Confident	72.9	Confident	148 Å²	148	104.9 Å²	104.9	56%	0.558	52%	0.515	S	S	*	.	H	α-helix	trans	-80.4	-25.7	175	-74.3	-174.8	71.2	-129.1	-5.9	114.6	Q665 M666 S667 L673	Q665-R669 WeakPolarHBondContact O-CB 3.32Å; Q665-R669 WeakPolarHBondContact O-CG 3.39Å; Q665-R669 PolarHBondContact O-N 3.08Å; M666-R669 PolarHBondContact O-N 3.48Å; S667-R669 PolarHBondContact O-N 3.17Å; R669-L673 WeakPolarHBondContact O-CB 3.19Å; R669-L673 WeakPolarHBondContact O-CD1 3.09Å; R669-L673 WeakPolarHBondContact O-CG 3.35Å; R669-L673 PolarHBondContact O-N 2.98Å
670	L	75.9	Confident	71.8	Confident	107 Å²	107	108 Å²	108	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-74.9	-48.7	172.4	-78.5	167.2	0	0	0	109.9	M666 S667 R672 L673 E674	M666-L670 WeakPolarHBondContact O-CB 3.43Å; M666-L670 WeakPolarHBondContact O-CG 3.17Å; M666-L670 PolarHBondContact O-N 3.46Å; S667-L670 PolarHBondContact O-N 2.88Å; L670-R672 VanDerWaalsContact C-N 3.34Å; L670-R672 PolarHBondContact O-N 3.42Å; L670-L673 CarbonylContact O-C 3.55Å; L670-L673 WeakPolarHBondContact O-CA 3.42Å; L670-L673 WeakPolarHBondContact O-CB 3.38Å; L670-L673 PolarHBondContact O-N 3.35Å; L670-E674 WeakPolarHBondContact O-CB 3.39Å; L670-E674 PolarHBondContact O-N 2.87Å
671	E	76.7	Confident	70.1	Confident	118 Å²	118	106 Å²	106	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-56.2	-45.3	176.2	-172.3	177.2	179	0	0	111.7	S667 L673 E674 L675	S667-E671 WeakPolarHBondContact O-CB 3.32Å; S667-E671 PolarHBondContact O-N 3.02Å; E671-L673 VanDerWaalsContact C-N 3.34Å; E671-L673 PolarHBondContact O-N 3.18Å; E671-E674 PolarHBondContact O-N 3.17Å; E671-L675 WeakPolarHBondContact O-CG 3.33Å; E671-L675 PolarHBondContact O-N 3.48Å
672	R	79.4	Confident	68	Low	148 Å²	148	111.6 Å²	111.6	56%	0.558	55%	0.548	S	S	*	.	H	α-helix	trans	-65	-31.9	172.1	-71.8	173.8	-157	-132.6	9.9	114.1	D668 L670 L676	D668-R672 VanDerWaalsContact CG-NE 3.32Å; D668-R672 VanDerWaalsContact CG-NH2 3.28Å; D668-R672 WeakPolarHBondContact O-CB 3.19Å; D668-R672 WeakPolarHBondContact O-CD 3.39Å; D668-R672 WeakPolarHBondContact O-CG 3.43Å; D668-R672 PolarHBondContact O-N 3.15Å; D668-R672 VanDerWaalsContact O-N 3.15Å; D668-R672 IonicContact OD1-CZ 3.66Å; D668-R672 IonicContact OD1-NE 2.76Å; D668-R672 PolarHBondContact OD1-NE 3.22Å; D668-R672 IonicContact OD1-NH2 2.64Å; D668-R672 PolarHBondContact OD1-NH2 2.81Å; D668-R672 IonicContact OD2-CZ 2.61Å; D668-R672 IonicContact OD2-NE 2.67Å; D668-R672 PolarHBondContact OD2-NE 3.12Å; D668-R672 IonicContact OD2-NH2 3.82Å; D668-R672 PolarHBondContact OD2-NH2 2.87Å; L670-R672 VanDerWaalsContact C-N 3.34Å; L670-R672 PolarHBondContact O-N 3.42Å; R672-L676 WeakPolarHBondContact O-CB 3.45Å; R672-L676 WeakPolarHBondContact O-CD1 3.47Å; R672-L676 WeakPolarHBondContact O-CG 3.35Å; R672-L676 PolarHBondContact O-N 2.93Å; R672-L676 VanDerWaalsContact O-N 3.12Å
673	L	72.6	Confident	65.9	Low	93 Å²	93	113 Å²	113	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-73.7	-38.1	176.3	-81.8	170	0	0	0	111.2	R669 L670 E671 L676 T677	R669-L673 WeakPolarHBondContact O-CB 3.19Å; R669-L673 WeakPolarHBondContact O-CD1 3.09Å; R669-L673 WeakPolarHBondContact O-CG 3.35Å; R669-L673 PolarHBondContact O-N 2.98Å; L670-L673 CarbonylContact O-C 3.55Å; L670-L673 WeakPolarHBondContact O-CA 3.42Å; L670-L673 WeakPolarHBondContact O-CB 3.38Å; L670-L673 PolarHBondContact O-N 3.35Å; E671-L673 VanDerWaalsContact C-N 3.34Å; E671-L673 PolarHBondContact O-N 3.18Å; L673-L676 CarbonylContact O-C 3.45Å; L673-L676 PolarHBondContact O-N 3.28Å; L673-T677 PolarHBondContact O-N 3.32Å; L673-T677 PolarHBondContact O-OG1 3.31Å
674	E	72.2	Confident	63.8	Low	133 Å²	133	115 Å²	115	62%	0.621	57%	0.571	S	S	*	*	H	α-helix	trans	-63.2	-49.1	176.6	-170.4	160.1	-153.1	0	0	110.8	L670 E671 L676 T677 S678	L670-E674 WeakPolarHBondContact O-CB 3.39Å; L670-E674 PolarHBondContact O-N 2.87Å; E671-E674 PolarHBondContact O-N 3.17Å; E674-L676 VanDerWaalsContact C-N 3.28Å; E674-L676 PolarHBondContact O-N 3.08Å; E674-T677 WeakPolarHBondContact CA-OG1 3.49Å; E674-T677 PolarHBondContact O-N 3.38Å; E674-T677 PolarHBondContact O-OG1 2.89Å; E674-S678 PolarHBondContact O-N 3.44Å; E674-S678 PolarHBondContact O-OG 3.25Å
675	L	72.1	Confident	61.5	Low	98 Å²	98	117.2 Å²	117.2	51%	0.513	58%	0.583	S	S	.	*	H	α-helix	trans	-56.7	-38.8	169.8	-69.3	169.8	0	0	0	112.6	E671 T677 N679	E671-L675 WeakPolarHBondContact O-CG 3.33Å; E671-L675 PolarHBondContact O-N 3.48Å; L675-T677 VanDerWaalsContact C-N 3.33Å; L675-N679 WeakPolarHBondContact O-CB 3.33Å; L675-N679 PolarHBondContact O-N 3.01Å; L675-N679 PolarHBondContact O-ND2 3.16Å; L675-N679 PolarHBondContact O-OD1 3.31Å
676	L	66.9	Low	59.3	Low	112 Å²	112	119.3 Å²	119.3	59%	0.586	60%	0.598	S	S	*	*	H	α-helix	trans	-75.7	-15.1	176.4	-76.3	170.5	0	0	0	114.3	R672 L673 E674	R672-L676 WeakPolarHBondContact O-CB 3.45Å; R672-L676 WeakPolarHBondContact O-CD1 3.47Å; R672-L676 WeakPolarHBondContact O-CG 3.35Å; R672-L676 PolarHBondContact O-N 2.93Å; R672-L676 VanDerWaalsContact O-N 3.12Å; L673-L676 CarbonylContact O-C 3.45Å; L673-L676 PolarHBondContact O-N 3.28Å; E674-L676 VanDerWaalsContact C-N 3.28Å; E674-L676 PolarHBondContact O-N 3.08Å
677	T	61.2	Low	57.4	Low	83 Å²	83	121.6 Å²	121.6	51%	0.509	62%	0.618	S	S	.	*	H	α-helix	trans	-89.1	-44.5	170.4	42.1	0	0	0	0	111.9	L673 E674 L675 K680 I681	L673-T677 PolarHBondContact O-N 3.32Å; L673-T677 PolarHBondContact O-OG1 3.31Å; E674-T677 WeakPolarHBondContact CA-OG1 3.49Å; E674-T677 PolarHBondContact O-N 3.38Å; E674-T677 PolarHBondContact O-OG1 2.89Å; L675-T677 VanDerWaalsContact C-N 3.33Å; T677-K680 WeakPolarHBondContact O-CB 3.4Å; T677-K680 PolarHBondContact O-N 3.22Å; T677-K680 VanDerWaalsContact O-N 3.07Å; T677-I681 PolarHBondContact O-N 3.06Å
678	S	56.7	Low	55.1	Low	63 Å²	63	125 Å²	125	44%	0.441	63%	0.629	S	S	.	*	H	α-helix	trans	-60.7	-49.3	176.2	-56.3	0	0	0	0	110.8	E674 K680 I681	E674-S678 PolarHBondContact O-N 3.44Å; E674-S678 PolarHBondContact O-OG 3.25Å; S678-K680 PolarHBondContact O-N 2.86Å; S678-I681 PolarHBondContact O-N 3.36Å
679	N	51.5	Low	52.8	Low	114 Å²	114	130 Å²	130	61%	0.61	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	9.5	176.9	-59.4	-1.4	0	0	0	113.8	L675	L675-N679 WeakPolarHBondContact O-CB 3.33Å; L675-N679 PolarHBondContact O-N 3.01Å; L675-N679 PolarHBondContact O-ND2 3.16Å; L675-N679 PolarHBondContact O-OD1 3.31Å
680	K	46	Very low	50.7	Low	161 Å²	161	126.9 Å²	126.9	70%	0.7	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-9.1	172.5	-103.7	-174.2	173.4	-176.2	0	114.4	T677 S678	T677-K680 WeakPolarHBondContact O-CB 3.4Å; T677-K680 PolarHBondContact O-N 3.22Å; T677-K680 VanDerWaalsContact O-N 3.07Å; S678-K680 PolarHBondContact O-N 2.86Å
681	I	42.6	Very low	48.6	Very low	136 Å²	136	124.1 Å²	124.1	70%	0.697	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-26.4	-179.5	-69.6	166.4	0	0	0	110.9	T677 S678	T677-I681 PolarHBondContact O-N 3.06Å; S678-I681 PolarHBondContact O-N 3.36Å
682	E	35.7	Very low	46.5	Very low	164 Å²	164	125.2 Å²	125.2	77%	0.766	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	1.8	-175.7	-58.8	-165.9	129.2	0	0	115.9
683	H	37	Very low	44.3	Very low	167 Å²	167	124.9 Å²	124.9	77%	0.773	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	29.1	-173	-83.4	-2.9	0	0	0	115.1
684	N	31.9	Very low	42.4	Very low	139 Å²	139	125.5 Å²	125.5	74%	0.743	67%	0.667	S	S	*	*			trans	-145	82	168.8	-97	-26.8	0	0	0	111.3
685	N	30.6	Very low	40.7	Very low	161 Å²	161	126.4 Å²	126.4	86%	0.861	68%	0.676	S	S	*	*			trans	-161.3	74.2	163.4	-99.7	-29.9	0	0	0	112.1
686	N	31.1	Very low	39	Very low	157 Å²	157	128.9 Å²	128.9	84%	0.84	69%	0.69	S	S	*	*			trans	-179.9	136.2	161.5	-96.3	-41.3	0	0	0	105.7
687	P	32	Very low	37.5	Very low	115 Å²	115	128.1 Å²	128.1	75%	0.747	69%	0.692	S	S	*	*				-150.3	157.9	57.2	40.4	-20.8	0	0	0	118.9
688	I	27.8	Very low	36.3	Very low	143 Å²	143	130.9 Å²	130.9	73%	0.733	70%	0.703	S	S	*	*			trans	18.7	128.7	135.2	-54.2	165.9	0	0	0	119.8
689	I	32.4	Very low	35.3	Very low	170 Å²	170	133.7 Å²	133.7	87%	0.872	71%	0.714	S	S	*	*			trans	-164.5	169.6	137.9	-104.6	158	0	0	0	111.1
690	Q	32.4	Very low	34.5	Very low	82 Å²	82	134.7 Å²	134.7	38%	0.383	72%	0.719	S	S	.	*			trans	-158.8	159.6	-156.3	42.3	143.2	-102	0	0	112	T1031 T1032	Q690-T1031 PolarHBondContact NE2-OG1 2.85Å; Q690-T1031 VanDerWaalsContact NE2-OG1 3.08Å; Q690-T1031 PolarHBondContact OE1-OG1 3.4Å; Q690-T1032 PolarHBondContact NE2-OG1 2.93Å; Q690-T1032 VanDerWaalsContact NE2-OG1 3.17Å
691	S	31.7	Very low	33.9	Very low	50 Å²	50	132.6 Å²	132.6	35%	0.35	72%	0.719	S	S	.	*			cis	173.6	151.8	-17.1	53.6	0	0	0	0	110.8	T1031 T1032	S691-T1031 WeakPolarHBondContact OG-CA 3.23Å; S691-T1031 PolarHBondContact OG-N 2.93Å; S691-T1031 VanDerWaalsContact OG-N 3.14Å; S691-T1032 PolarHBondContact OG-N 2.93Å
692	T	32.9	Very low	33.3	Very low	140 Å²	140	132.6 Å²	132.6	86%	0.859	72%	0.721	S	S	*	*			trans	-164.2	148.8	177.7	27.8	0	0	0	0	111.3
693	N	32.1	Very low	33.1	Very low	142 Å²	142	131.1 Å²	131.1	76%	0.759	72%	0.717	S	S	*	*			cis	-163	177.6	-4	-162.5	4.2	0	0	0	111.7
694	T	34.6	Very low	32.8	Very low	106 Å²	106	127.1 Å²	127.1	65%	0.65	71%	0.708	S	S	*	*			trans	104.6	116.9	156.7	69.9	0	0	0	0	121
695	N	35.7	Very low	33	Very low	151 Å²	151	128.6 Å²	128.6	81%	0.807	71%	0.712	S	S	*	*			trans	65.2	145.5	150.4	-49.5	-18.9	0	0	0	118.2
696	N	35.3	Very low	33.1	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	70%	0.701	S	S	*	*			cis	-147.1	160.7	10.7	-149.7	26	0	0	0	109.6
697	P	36.8	Very low	33.2	Very low	96 Å²	96	126.9 Å²	126.9	62%	0.623	70%	0.698	S	S	*	*			trans	-97.1	166	-169.4	38.3	-35.1	0	0	0	114.6
698	N	34.9	Very low	33.2	Very low	140 Å²	140	125.6 Å²	125.6	75%	0.749	69%	0.692	S	S	*	*				-174.4	146.4	124.3	-98.7	-32.8	0	0	0	115.7
699	N	35.6	Very low	33.2	Very low	123 Å²	123	127.4 Å²	127.4	66%	0.658	69%	0.694	S	S	*	*			trans	60.5	118.7	146.8	-65.7	-14	0	0	0	122.9
700	N	34.8	Very low	32.9	Very low	135 Å²	135	125.1 Å²	125.1	72%	0.722	68%	0.683	S	S	*	*			trans	76.9	111.9	135.2	-57.6	-14.4	0	0	0	118.5
701	V	33.2	Very low	32.6	Very low	116 Å²	116	129.4 Å²	129.4	70%	0.703	70%	0.701	S	S	*	*				89.5	131.7	53.3	167.3	0	0	0	0	112.4
702	N	30.6	Very low	32.3	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	72%	0.716	S	S	*	*			trans	76.5	149.5	168.6	-70.3	-11.1	0	0	0	119.7
703	I	32.2	Very low	31.9	Very low	134 Å²	134	132.2 Å²	132.2	69%	0.687	72%	0.716	S	S	*	*			cis	-164.6	139.7	-36.4	-132	174.6	0	0	0	110
704	S	30.3	Very low	31.9	Very low	83 Å²	83	128.7 Å²	128.7	58%	0.58	71%	0.713	S	S	*	*			trans	61.4	170.6	163.3	83.2	0	0	0	0	116
705	M	36.7	Very low	31.5	Very low	169 Å²	169	131.1 Å²	131.1	83%	0.833	72%	0.722	S	S	*	*			cis	-109.8	139.9	7.4	-72.3	-168.2	-179.3	0	0	111.4
706	N	32.1	Very low	31.3	Very low	119 Å²	119	129.9 Å²	129.9	64%	0.636	72%	0.715	S	S	*	*				58	135.7	67.3	-76.7	-29.9	0	0	0	111.2
707	Q	33.8	Very low	31	Very low	164 Å²	164	129.6 Å²	129.6	77%	0.766	71%	0.707	S	S	*	*			cis	-163	172.1	13.1	-117.5	161.7	55.1	0	0	106.8
708	S	31	Very low	30.7	Very low	88 Å²	88	133.1 Å²	133.1	62%	0.615	71%	0.713	S	S	*	*			cis	-158.9	164.9	-0.9	66.5	0	0	0	0	108.9
709	K	29.1	Very low	30.4	Very low	180 Å²	180	133.3 Å²	133.3	78%	0.783	71%	0.712	S	S	*	*				41.2	143	93.4	-45.6	-175.2	172.9	-178.9	0	116
710	L	25.4	Very low	30.4	Very low	123 Å²	123	131.7 Å²	131.7	64%	0.644	71%	0.71	S	S	*	*			cis	-167.3	157.9	-5.4	-136	72.8	0	0	0	109.3
711	F	25	Very low	30.3	Very low	172 Å²	172	130.3 Å²	130.3	75%	0.754	70%	0.703	S	S	*	*			trans	63	149	140	-82.2	-159.1	0	0	0	124.5
712	T	25.5	Very low	30.4	Very low	110 Å²	110	133.7 Å²	133.7	68%	0.675	70%	0.703	S	S	*	*			trans	68.9	122.7	137.7	53.3	0	0	0	0	124.7
713	T	26.4	Very low	30.5	Very low	139 Å²	139	136.9 Å²	136.9	85%	0.853	71%	0.705	S	S	*	*			trans	69.7	151.2	131.4	60.1	0	0	0	0	122.3
714	G	30.8	Very low	30.5	Very low	68 Å²	68	138 Å²	138	70%	0.701	71%	0.712	S	S	*	*			trans	96.2	112.2	175	0	0	0	0	0	111.3
715	N	26.4	Very low	30.6	Very low	157 Å²	157	140.4 Å²	140.4	84%	0.84	72%	0.717	S	S	*	*				63.2	126.8	51.4	-70.5	1.4	0	0	0	115
716	D	31.3	Very low	30.7	Very low	125 Å²	125	137.9 Å²	137.9	67%	0.668	71%	0.713	S	S	*	*			trans	66.6	147.3	163.6	-69.2	-4.5	0	0	0	118.3
717	K	29.3	Very low	30.6	Very low	145 Å²	145	139.3 Å²	139.3	63%	0.63	72%	0.721	S	S	*	*			cis	-168.1	173.2	-19.2	-112.6	175.7	-172.8	84.7	0	107.4
718	F	29.8	Very low	30.4	Very low	169 Å²	169	137.2 Å²	137.2	74%	0.741	72%	0.724	S	S	*	*			trans	70.4	116.7	173.1	-62.8	-81.3	0	0	0	115.4
719	I	30	Very low	30.4	Very low	145 Å²	145	137.8 Å²	137.8	74%	0.744	74%	0.735	S	S	*	*				72.4	119.3	71.9	-73.5	168.4	0	0	0	110.1
720	S	33.9	Very low	30.3	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	74%	0.735	S	S	*	*			cis	-164.5	-178.7	6.8	-116.1	0	0	0	0	108.3
721	D	34.3	Very low	30.5	Very low	106 Å²	106	139 Å²	139	57%	0.567	75%	0.749	S	S	*	*			cis	-171.6	151.3	-1.8	-111.6	-59.1	0	0	0	103.1
722	R	33.9	Very low	30.6	Very low	187 Å²	187	135 Å²	135	71%	0.706	74%	0.743	S	S	*	*			cis	-155.4	159	11	-86	141.5	-161.1	164.8	15.9	106.9
723	R	32.8	Very low	30.8	Very low	204 Å²	204	135.6 Å²	135.6	77%	0.77	75%	0.746	S	S	*	*			cis	-159.5	173.5	2.6	-126.2	167.4	-168.5	169.4	2.5	111.6
724	L	33.5	Very low	30.9	Very low	157 Å²	157	137.8 Å²	137.8	82%	0.822	75%	0.747	S	S	*	*			trans	-30.2	136.4	155.6	-61.7	179.5	0	0	0	114.7
725	L	31.4	Very low	30.8	Very low	133 Å²	133	140 Å²	140	70%	0.696	75%	0.752	S	S	*	*			cis	59.2	146.8	3.4	-60.1	173.8	0	0	0	116.6
726	P	38.2	Very low	31	Very low	116 Å²	116	136.2 Å²	136.2	75%	0.753	75%	0.749	S	S	*	*			cis	-123.2	179.3	11.6	28.5	-5.3	0	0	0	113.4
727	N	30.5	Very low	30.9	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	76%	0.756	S	S	*	*			cis	85.1	153	27.8	-84.7	5.7	0	0	0	117.8
728	S	29.4	Very low	31	Very low	120 Å²	120	139.7 Å²	139.7	84%	0.839	77%	0.766	S	S	*	*			trans	-102.1	168.3	-158.8	52.8	0	0	0	0	115.3
729	A	31.2	Very low	30.9	Very low	101 Å²	101	136.6 Å²	136.6	84%	0.835	77%	0.765	S	S	*	*			trans	-151.7	151.5	163.6	0	0	0	0	0	112.1
730	S	27.7	Very low	31	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	76%	0.764	S	S	*	*			trans	-125.3	144.6	170.9	-52.1	0	0	0	0	108.3
731	F	30.3	Very low	30.8	Very low	215 Å²	215	137.6 Å²	137.6	94%	0.943	77%	0.767	S	S	*	*			trans	-168.2	-174.7	143.3	-121	-85.3	0	0	0	110.4
732	S	26.9	Very low	30.7	Very low	88 Å²	88	139 Å²	139	62%	0.615	78%	0.775	S	S	*	*			trans	-131.6	166.6	-156.2	63.4	0	0	0	0	114.7
733	V	27.9	Very low	30.5	Very low	122 Å²	122	137.6 Å²	137.6	74%	0.739	78%	0.777	S	S	*	*			trans	53.1	112.8	157.8	177.9	0	0	0	0	117.3
734	Q	29.3	Very low	30.5	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.864	78%	0.777	S	S	*	*				-166.8	176.8	94.5	-141.4	145.6	10.1	0	0	112.5
735	S	28.4	Very low	30.6	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	77%	0.77	S	S	*	*			trans	-83.6	144.7	-171.2	53.2	0	0	0	0	114.9
736	G	30.8	Very low	30.5	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	78%	0.776	S	S	*	*			trans	-167.6	120.5	165.1	0	0	0	0	0	113.2
737	N	28.4	Very low	29.9	Very low	154 Å²	154	136 Å²	136	82%	0.824	78%	0.781	S	S	*	*			trans	-92.3	144.9	178.7	-65.8	-37.7	0	0	0	111.6
738	K	32.8	Very low	29.7	Very low	190 Å²	190	133.9 Å²	133.9	83%	0.826	78%	0.778	S	S	*	*			trans	143.4	113.6	134.5	-79.3	167.1	-178.9	-178.4	0	115.4
739	S	27.7	Very low	29.8	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	78%	0.779	S	S	*	*			trans	48.3	166.9	130.6	64.6	0	0	0	0	124
740	I	31.1	Very low	29.5	Very low	143 Å²	143	136 Å²	136	73%	0.733	77%	0.774	S	S	*	*			trans	79.2	93.2	168.2	-62.6	170.5	0	0	0	112.3
741	T	30.4	Very low	29.6	Very low	111 Å²	111	140.7 Å²	140.7	68%	0.681	78%	0.78	S	S	*	*				61.5	136.3	92.1	73.4	0	0	0	0	113
742	D	32.1	Very low	29.6	Very low	136 Å²	136	135.3 Å²	135.3	73%	0.727	77%	0.769	S	S	*	*				-155.2	-167	51.3	-112.1	-66.2	0	0	0	116.4
743	Q	30.3	Very low	29.6	Very low	158 Å²	158	134.6 Å²	134.6	74%	0.738	78%	0.776	S	S	*	*			trans	-82	-173.6	-167.9	-53.4	176.8	1	0	0	115.9
744	N	32.8	Very low	29.7	Very low	144 Å²	144	141.3 Å²	141.3	77%	0.77	79%	0.788	S	S	*	*			trans	92.7	143.4	165.5	-52.2	-58.9	0	0	0	116.4
745	V	34	Very low	29.6	Very low	113 Å²	113	140 Å²	140	69%	0.685	79%	0.787	S	S	*	*			cis	-157.9	152.2	-6.4	110	0	0	0	0	112.7
746	L	31	Very low	29.8	Very low	156 Å²	156	143 Å²	143	82%	0.817	79%	0.794	S	S	*	*			trans	44.2	130.4	160.4	-65.2	170	0	0	0	123
747	N	24.5	Very low	29.6	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	80%	0.795	S	S	*	*			trans	-65.4	143.4	149.3	-67.8	-57.3	0	0	0	111.2
748	S	27.8	Very low	29.9	Very low	105 Å²	105	144.3 Å²	144.3	73%	0.734	80%	0.797	S	S	*	*			trans	-169.2	170.9	142	62.5	0	0	0	0	113.1
749	L	30.7	Very low	29.7	Very low	162 Å²	162	142.4 Å²	142.4	85%	0.848	80%	0.796	S	S	*	*			trans	64.7	88.5	161.7	-59.9	177.5	0	0	0	118.9
750	S	24.7	Very low	29.9	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	79%	0.792	S	S	*	*			trans	-54.5	147.9	143.8	53.5	0	0	0	0	113.1
751	F	30.5	Very low	29.7	Very low	211 Å²	211	142.6 Å²	142.6	93%	0.925	80%	0.796	S	S	*	*			trans	-149.3	159.8	137.7	-134.3	-93.6	0	0	0	111.9
752	S	28.8	Very low	29.8	Very low	102 Å²	102	145.4 Å²	145.4	71%	0.713	81%	0.807	S	S	*	*			trans	-110.9	122.1	-162.4	57.4	0	0	0	0	114.8
753	G	28.4	Very low	29.6	Very low	73 Å²	73	147.8 Å²	147.8	75%	0.753	81%	0.813	S	S	*	*			trans	63.1	131.4	134.3	0	0	0	0	0	120.9
754	W	29.9	Very low	29.8	Very low	263 Å²	263	146.8 Å²	146.8	100%	0.996	82%	0.818	S	S	*	*			trans	-132.2	139	147	-87.4	-11.5	0	0	0	109.6
755	N	27.3	Very low	29.7	Very low	158 Å²	158	145.7 Å²	145.7	85%	0.845	81%	0.812	S	S	*	*			trans	-95	136.9	169.7	-68.7	-40.7	0	0	0	108.9
756	N	32.6	Very low	29.6	Very low	177 Å²	177	151.7 Å²	151.7	95%	0.947	82%	0.824	S	S	*	*			trans	-156.2	151.3	147.9	-101.7	-33	0	0	0	110.4
757	S	26.6	Very low	29.5	Very low	116 Å²	116	152.2 Å²	152.2	81%	0.811	82%	0.82	S	S	*	*			trans	-106.2	120.6	-163	160.2	0	0	0	0	113
758	V	33.5	Very low	29.9	Very low	142 Å²	142	150.5 Å²	150.5	86%	0.861	82%	0.818	S	S	*	*			trans	-140.9	142.7	153.9	-179	0	0	0	0	110.2
759	N	28.5	Very low	30.1	Very low	150 Å²	150	153 Å²	153	80%	0.802	82%	0.822	S	S	*	*			trans	-17.7	148.6	177.2	-106.3	-4.3	0	0	0	121.1
760	P	31.7	Very low	30.2	Very low	100 Å²	100	150 Å²	150	65%	0.649	82%	0.815	S	S	*	*			trans	-81	151.5	164.5	36.4	-34.1	0	0	0	112.2
761	N	28.7	Very low	30.5	Very low	151 Å²	151	153.4 Å²	153.4	81%	0.807	83%	0.825	S	S	*	*			trans	161.6	103.7	141.3	-86	-16	0	0	0	110.7
762	N	31.8	Very low	30.9	Very low	170 Å²	170	148 Å²	148	91%	0.909	81%	0.813	S	S	*	*			trans	-176.8	127.8	136.7	-98.6	-21.6	0	0	0	110.5
763	E	28.2	Very low	31.3	Very low	186 Å²	186	149.8 Å²	149.8	87%	0.869	81%	0.814	S	S	*	*			trans	-85.9	147.3	175.4	-59.3	-179.2	118.8	0	0	111
764	T	34.5	Very low	31.9	Very low	136 Å²	136	151.7 Å²	151.7	83%	0.834	81%	0.814	S	S	*	*			trans	-132.1	94.6	160.9	29.9	0	0	0	0	111.6
765	N	30	Very low	32.4	Very low	122 Å²	122	145.6 Å²	145.6	65%	0.652	79%	0.794	S	S	*	*			trans	26.3	110.9	151.9	-73.9	-78.7	0	0	0	119.5
766	Y	31.1	Very low	32.9	Very low	238 Å²	238	148.9 Å²	148.9	93%	0.933	80%	0.795	S	S	*	*			trans	-130.1	109.3	134.1	-94.4	-86.7	0	0	0	109.6
767	K	30.2	Very low	33.3	Very low	168 Å²	168	145.4 Å²	145.4	73%	0.73	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-89.9	130.2	175.6	-72.9	-178.9	180	174.9	0	111.1	L769	K767-L769 HydrophobicContact CB-CD1 4.42Å
768	P	32.4	Very low	33.7	Very low	126 Å²	126	145.6 Å²	145.6	82%	0.818	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-95	119.4	152.5	0.7	19.6	0	0	0	109.5
769	L	32.5	Very low	34.1	Very low	156 Å²	156	150.2 Å²	150.2	82%	0.817	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-80.6	124.3	169.6	-78.5	76.4	0	0	0	110.1	K767	K767-L769 HydrophobicContact CB-CD1 4.42Å
770	S	33	Very low	34.6	Very low	100 Å²	100	146.9 Å²	146.9	70%	0.699	76%	0.763	S	S	*	*			trans	-178.2	109.7	135.9	59.5	0	0	0	0	111.3	S772	S770-S772 PolarHBondContact O-N 3.01Å
771	N	30.8	Very low	34.7	Very low	177 Å²	177	149.2 Å²	149.2	95%	0.947	77%	0.769	S	S	*	*			trans	-78	115.6	160.8	-87	-8	0	0	0	108.7
772	S	37.6	Very low	35	Very low	98 Å²	98	146.3 Å²	146.3	69%	0.685	76%	0.76	S	S	*	*			trans	-145.1	130.1	170.6	65.7	0	0	0	0	110	S770	S770-S772 PolarHBondContact O-N 3.01Å
773	N	37.3	Very low	35.1	Very low	138 Å²	138	141.5 Å²	141.5	74%	0.738	74%	0.744	S	S	*	*			trans	-56.1	130.6	-174.9	-112.1	-27.1	0	0	0	112.1	F775	N773-F775 PolarHBondContact O-N 3.13Å
774	P	42.6	Very low	35.2	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-2.7	-176.7	28.8	-35.2	0	0	0	114.2
775	F	39.7	Very low	35.1	Very low	135 Å²	135	141.1 Å²	141.1	59%	0.592	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	4.2	-173.6	-70.8	-77.1	0	0	0	115.4	N773	N773-F775 PolarHBondContact O-N 3.13Å
776	R	37.7	Very low	35.3	Very low	228 Å²	228	138.5 Å²	138.5	86%	0.86	75%	0.749	S	S	*	*			trans	-107.8	81.4	-179	-154.7	176.4	-163.4	-177.6	5.7	112.8
777	M	41.4	Very low	35.5	Very low	103 Å²	103	134.2 Å²	134.2	51%	0.507	75%	0.748	S	S	.	*	P	Polyproline II helix	trans	-74.4	129	169.2	-76.7	-179.2	64.9	0	0	111.1	F175 R779	F175-M777 WeakPolarHBondContact O-CE 3.36Å; M777-R779 PolarHBondContact O-N 3.3Å
778	P	35.6	Very low	35.4	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-63.6	131.8	167.9	-20.4	33.1	0	0	0	110.8
779	R	41.9	Very low	35.5	Very low	239 Å²	239	134.3 Å²	134.3	90%	0.902	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-62.7	141.6	172.6	-73.3	-179.3	172.6	137.4	-1.9	110	M777 I781	M777-R779 PolarHBondContact O-N 3.3Å; R779-I781 PolarHBondContact O-N 2.87Å
780	S	38.1	Very low	35.7	Very low	81 Å²	81	136.1 Å²	136.1	57%	0.566	75%	0.752	S	S	*	*			trans	-73	86.2	-175	44.6	0	0	0	0	112.8	S782	S780-S782 PolarHBondContact O-N 2.87Å; S780-S782 VanDerWaalsContact O-N 3.1Å; S780-S782 PolarHBondContact O-OG 2.98Å; S780-S782 VanDerWaalsContact O-OG 3.06Å
781	I	34.8	Very low	35.7	Very low	148 Å²	148	139.3 Å²	139.3	76%	0.759	76%	0.758	S	S	*	*			trans	-52.7	118.5	173.9	-60.3	176.4	0	0	0	109.9	R779	R779-I781 PolarHBondContact O-N 2.87Å
782	S	34.7	Very low	35.6	Very low	91 Å²	91	137.6 Å²	137.6	64%	0.636	75%	0.749	S	S	*	*			trans	-121.5	84.9	-177.3	-64.5	0	0	0	0	110.1	S780	S780-S782 PolarHBondContact O-N 2.87Å; S780-S782 VanDerWaalsContact O-N 3.1Å; S780-S782 PolarHBondContact O-OG 2.98Å; S780-S782 VanDerWaalsContact O-OG 3.06Å
783	A	33.9	Very low	35.3	Very low	68 Å²	68	139.4 Å²	139.4	56%	0.562	75%	0.75	S	S	*	*			trans	64.3	96.6	166.2	0	0	0	0	0	117.6
784	L	30.1	Very low	35	Very low	171 Å²	171	140.4 Å²	140.4	90%	0.895	75%	0.753	S	S	*	*			trans	-136.8	114	142.6	-98.7	170.6	0	0	0	107.2
785	T	32.4	Very low	34.3	Very low	143 Å²	143	145.9 Å²	145.9	88%	0.877	76%	0.759	S	S	*	*			trans	-156.8	115.1	173.3	48.5	0	0	0	0	107.9
786	G	32.9	Very low	33.7	Very low	67 Å²	67	143.8 Å²	143.8	69%	0.691	76%	0.761	S	S	*	*			trans	-162.9	84.4	-174.8	0	0	0	0	0	112.6
787	T	35.6	Very low	33.3	Very low	148 Å²	148	141.2 Å²	141.2	91%	0.908	76%	0.759	S	S	*	*			trans	62.8	169.2	170.4	37	0	0	0	0	117.1
788	I	29.5	Very low	32.6	Very low	151 Å²	151	144.8 Å²	144.8	77%	0.774	77%	0.772	S	S	*	*			trans	-141.1	170.5	-158.6	-62.2	174.3	0	0	0	107.6
789	D	34	Very low	32.3	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	77%	0.771	S	S	*	*			trans	96.1	127.1	-177.2	-51.8	-30.5	0	0	0	111.1
790	E	37	Very low	31.8	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	77%	0.767	S	S	*	*			cis	-115.8	179.9	19.2	-63	179.1	118.9	0	0	115.3
791	M	32.3	Very low	31.5	Very low	167 Å²	167	142.9 Å²	142.9	82%	0.823	78%	0.779	S	S	*	*			trans	-90.2	173.8	172.7	-41.6	-175.4	-179.9	0	0	110.4
792	N	28	Very low	31	Very low	141 Å²	141	146.8 Å²	146.8	75%	0.754	79%	0.785	S	S	*	*			cis	-161	-161.1	3.1	-143	-33.2	0	0	0	109.1
793	I	31.3	Very low	30.7	Very low	137 Å²	137	146.8 Å²	146.8	70%	0.703	79%	0.786	S	S	*	*			trans	87.2	108.7	157	-48.7	-161.2	0	0	0	118
794	I	32	Very low	30.2	Very low	158 Å²	158	148.5 Å²	148.5	81%	0.81	79%	0.789	S	S	*	*			trans	80.7	110.5	147.7	-68.8	171	0	0	0	121.2
795	R	28.3	Very low	30.2	Very low	229 Å²	229	151.3 Å²	151.3	86%	0.864	79%	0.789	S	S	*	*			trans	-41.6	164.6	150.2	-69.3	172.9	-179.4	157.1	-1.7	114.4
796	S	26.4	Very low	30	Very low	91 Å²	91	151.7 Å²	151.7	64%	0.636	79%	0.785	S	S	*	*			cis	-173.4	-168.6	-7	44.3	0	0	0	0	107.8
797	E	29.2	Very low	29.9	Very low	173 Å²	173	154.7 Å²	154.7	81%	0.808	79%	0.79	S	S	*	*			trans	72.9	160.5	168	-50.9	-165.9	174.1	0	0	115.6
798	F	26.5	Very low	29.6	Very low	178 Å²	178	154 Å²	154	78%	0.781	78%	0.781	S	S	*	*				-158.8	177.8	-52.1	-127.3	-77.5	0	0	0	106.9
799	N	29.4	Very low	29.7	Very low	143 Å²	143	155.8 Å²	155.8	77%	0.765	78%	0.784	S	S	*	*			trans	69.8	120.4	158.2	-58.8	-26.7	0	0	0	120.3
800	T	31.2	Very low	29.8	Very low	132 Å²	132	154.4 Å²	154.4	81%	0.81	78%	0.783	S	S	*	*			trans	-73.8	158.7	152	50.8	0	0	0	0	111.5
801	P	32.3	Very low	29.5	Very low	125 Å²	125	149.2 Å²	149.2	81%	0.812	77%	0.768	S	S	*	*			trans	-123.9	164.2	140.7	36.1	-27.7	0	0	0	113.7
802	Y	25.1	Very low	29.6	Very low	230 Å²	230	149 Å²	149	90%	0.902	77%	0.768	S	S	*	*			trans	-109.1	166.5	172.1	-118.2	-95.3	0	0	0	109.1
803	S	26.9	Very low	30	Very low	92 Å²	92	147.4 Å²	147.4	64%	0.643	77%	0.766	S	S	*	*			trans	82.7	129.3	154.7	-147.4	0	0	0	0	119.8
804	T	25.1	Very low	30.1	Very low	104 Å²	104	146.6 Å²	146.6	64%	0.638	77%	0.772	S	S	*	*			trans	37.7	129.6	139.7	56	0	0	0	0	121.4
805	Y	29.6	Very low	30.2	Very low	229 Å²	229	143.7 Å²	143.7	90%	0.898	77%	0.766	S	S	*	*				-155	160.3	114.8	-88.6	-60.9	0	0	0	111.2
806	L	27.6	Very low	30.4	Very low	151 Å²	151	140.4 Å²	140.4	79%	0.791	76%	0.764	S	S	*	*			trans	-90.3	157.6	170.7	-61.6	82.4	0	0	0	109.7
807	T	31	Very low	30.4	Very low	130 Å²	130	142 Å²	142	80%	0.798	77%	0.766	S	S	*	*				-178	120.1	117	30.4	0	0	0	0	115
808	N	28.2	Very low	30.6	Very low	134 Å²	134	142.1 Å²	142.1	72%	0.717	77%	0.766	S	S	*	*			trans	38.7	117	135.7	-66.5	-29.9	0	0	0	124.6
809	K	32.9	Very low	30.9	Very low	189 Å²	189	139.9 Å²	139.9	82%	0.822	76%	0.762	S	S	*	*				72.6	160.2	127.6	-68.6	-177.3	176.5	-178.9	0	120
810	P	35.8	Very low	30.8	Very low	116 Å²	116	137.9 Å²	137.9	75%	0.753	76%	0.759	S	S	*	*			cis	-112.5	-129.1	-2.8	27.7	-3.8	0	0	0	111.1
811	S	30.3	Very low	30.8	Very low	85 Å²	85	140.4 Å²	140.4	59%	0.594	76%	0.758	S	S	*	*			cis	-170	128	-4.1	25.8	0	0	0	0	112.8
812	I	35.6	Very low	30.7	Very low	161 Å²	161	141 Å²	141	83%	0.826	75%	0.753	S	S	*	*				62.1	153	122.6	-61.4	170.9	0	0	0	119.4
813	P	36.2	Very low	31	Very low	109 Å²	109	136.8 Å²	136.8	71%	0.708	75%	0.746	S	S	*	*			cis	-127.2	-178.5	-2.2	27.7	-5.4	0	0	0	117.4
814	S	32.8	Very low	31.1	Very low	119 Å²	119	139 Å²	139	83%	0.832	75%	0.751	S	S	*	*			trans	104.9	138.7	148.6	80.6	0	0	0	0	117.1
815	S	33.8	Very low	31.4	Very low	98 Å²	98	138 Å²	138	69%	0.685	75%	0.747	S	S	*	*			cis	-145.7	159	6.6	59.5	0	0	0	0	113.9
816	L	31.7	Very low	31.4	Very low	159 Å²	159	133.6 Å²	133.6	83%	0.832	74%	0.74	S	S	*	*			trans	31.8	144.3	140.6	-60.8	168.9	0	0	0	121.1
817	N	28	Very low	31.5	Very low	126 Å²	126	133.4 Å²	133.4	67%	0.674	74%	0.739	S	S	*	*			cis	-177.4	136.6	-8.7	172.3	35.1	0	0	0	109.1
818	E	33.5	Very low	31.3	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.813	73%	0.729	S	S	*	*			trans	-167.2	116.7	148.2	-117.9	169.9	-149.4	0	0	114
819	N	31.2	Very low	31.2	Very low	131 Å²	131	133.6 Å²	133.6	70%	0.701	74%	0.736	S	S	*	*			trans	15.3	134.5	146.2	-48.9	-44	0	0	0	118.7
820	C	27.7	Very low	30.9	Very low	101 Å²	101	131.2 Å²	131.2	68%	0.682	73%	0.73	S	S	*	*			cis	-179.2	150.6	43.1	-145.3	0	0	0	0	111.8
821	K	32.4	Very low	30.5	Very low	185 Å²	185	131.5 Å²	131.5	80%	0.804	73%	0.73	S	S	*	*			trans	68.9	146.2	160.5	-61.5	166	-172.9	176	0	117.1
822	I	29.8	Very low	30.5	Very low	137 Å²	137	131.8 Å²	131.8	70%	0.703	73%	0.732	S	S	*	*			cis	-151	138.1	-0.5	-124.4	162.8	0	0	0	112.4
823	L	30.3	Very low	30.3	Very low	143 Å²	143	132.7 Å²	132.7	75%	0.749	73%	0.73	S	S	*	*			trans	44.5	142.2	153.9	-69	161.5	0	0	0	125
824	N	30.4	Very low	29.7	Very low	139 Å²	139	135.6 Å²	135.6	74%	0.743	73%	0.734	S	S	*	*			trans	75.2	144.3	149	-72.4	6	0	0	0	121.6
825	S	30.8	Very low	29.5	Very low	81 Å²	81	135.9 Å²	135.9	57%	0.566	73%	0.731	S	S	*	*			cis	-174	138.9	-29	48.5	0	0	0	0	110.9
826	N	29.8	Very low	29.4	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	73%	0.731	S	S	*	*			trans	64.1	124	152.6	-53.1	-14.2	0	0	0	120
827	N	28.5	Very low	29.4	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	72%	0.724	S	S	*	*				63.2	153.7	128.8	-63.9	3.9	0	0	0	121.3
828	S	26.7	Very low	29.6	Very low	82 Å²	82	135.1 Å²	135.1	57%	0.573	72%	0.724	S	S	*	*			cis	-177.6	155.5	-24.2	56	0	0	0	0	109.5
829	H	26.3	Very low	29.5	Very low	186 Å²	186	134 Å²	134	86%	0.861	72%	0.718	S	S	*	*			trans	64.4	-175.9	159.5	-89.7	-79.3	0	0	0	117.4
830	I	27.8	Very low	29.6	Very low	139 Å²	139	134.3 Å²	134.3	71%	0.713	72%	0.72	S	S	*	*			trans	83	82.3	167.5	-48.9	-173.6	0	0	0	115.8
831	T	27.3	Very low	29.9	Very low	122 Å²	122	137.4 Å²	137.4	75%	0.748	73%	0.73	S	S	*	*				50.2	163.4	128.3	69.4	0	0	0	0	119.8
832	S	29.5	Very low	29.9	Very low	90 Å²	90	131.9 Å²	131.9	63%	0.629	73%	0.725	S	S	*	*			cis	-158.4	148.2	19.9	-28.3	0	0	0	0	112.2
833	K	31.2	Very low	29.9	Very low	180 Å²	180	134.7 Å²	134.7	78%	0.783	73%	0.733	S	S	*	*			trans	47.6	122.2	135.2	-58.4	174.9	-178.5	-177	0	119.7
834	E	24.3	Very low	29.9	Very low	170 Å²	170	134.6 Å²	134.6	79%	0.794	73%	0.732	S	S	*	*			cis	80.7	157.6	40.6	-166	176.9	-130.5	0	0	113.6
835	T	29.5	Very low	29.9	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	73%	0.733	S	S	*	*			trans	74.8	139.8	-167.4	72.1	0	0	0	0	113.3
836	T	31.1	Very low	29.7	Very low	114 Å²	114	139.3 Å²	139.3	70%	0.699	75%	0.745	S	S	*	*			cis	-163.9	145.1	-0.6	8.2	0	0	0	0	106.2
837	N	30.8	Very low	29.6	Very low	128 Å²	128	136.2 Å²	136.2	68%	0.684	74%	0.739	S	S	*	*				-177.4	173.7	62.1	-99.6	-27.6	0	0	0	110.9
838	L	32.2	Very low	29.6	Very low	126 Å²	126	135.7 Å²	135.7	66%	0.66	74%	0.736	S	S	*	*			trans	6.5	146.3	141.3	-71.5	50.9	0	0	0	118.7
839	E	32.9	Very low	29.7	Very low	150 Å²	150	142.3 Å²	142.3	70%	0.701	75%	0.749	S	S	*	*			cis	-160.1	147.7	9.3	-111.1	145.8	-175.2	0	0	111.2
840	D	33.3	Very low	29.9	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	74%	0.741	S	S	*	*			trans	54.7	143.4	144.4	-54.2	-10.7	0	0	0	125.5
841	D	32.3	Very low	29.9	Very low	165 Å²	165	141.7 Å²	141.7	88%	0.882	74%	0.74	S	S	*	*			trans	37.4	119.1	157.5	-57.9	-17.7	0	0	0	120
842	G	32.7	Very low	30.1	Very low	69 Å²	69	142 Å²	142	71%	0.711	74%	0.742	S	S	*	*			cis	121.3	137.4	31	0	0	0	0	0	108.2
843	F	30	Very low	30.2	Very low	197 Å²	197	142.5 Å²	142.5	86%	0.864	75%	0.745	S	S	*	*			cis	-123.4	148.5	9.3	-80	-119.8	0	0	0	109
844	L	30.2	Very low	30.1	Very low	140 Å²	140	141 Å²	141	73%	0.733	74%	0.741	S	S	*	*				56.3	118.9	63.5	-61.7	172.2	0	0	0	113.5
845	Q	30.6	Very low	30.5	Very low	161 Å²	161	141.6 Å²	141.6	75%	0.752	75%	0.749	S	S	*	*			cis	82.6	133.8	40.4	-165	169.1	21.8	0	0	113.4
846	L	27.6	Very low	30.5	Very low	158 Å²	158	142.2 Å²	142.2	83%	0.827	74%	0.743	S	S	*	*			trans	70.7	119.9	-178	-64.4	154.1	0	0	0	113.9
847	A	27.2	Very low	30.4	Very low	74 Å²	74	143.4 Å²	143.4	61%	0.612	75%	0.745	S	S	*	*				68.9	127.6	94.6	0	0	0	0	0	112.7
848	N	28.8	Very low	30.4	Very low	135 Å²	135	146.5 Å²	146.5	72%	0.722	75%	0.753	S	S	*	*				-164.7	155.4	66.6	-93.4	-68.5	0	0	0	110.6
849	R	28.8	Very low	30.4	Very low	222 Å²	222	149.8 Å²	149.8	84%	0.838	76%	0.762	S	S	*	*				43.8	111.2	93.1	-101.1	179.2	176	-179.7	-3.6	115.3
850	K	30.5	Very low	30.2	Very low	163 Å²	163	152.4 Å²	152.4	71%	0.709	77%	0.771	S	S	*	*			trans	43.1	126.1	138.8	-81.9	176.5	162.5	-94	0	121.2
851	E	27.7	Very low	30.1	Very low	148 Å²	148	151.6 Å²	151.6	69%	0.692	77%	0.771	S	S	*	*			trans	78.3	166.8	132.7	-70.9	156.8	-158.4	0	0	120.7
852	V	32	Very low	30	Very low	130 Å²	130	150 Å²	150	79%	0.788	76%	0.762	S	S	*	*			trans	81.1	87.6	171.8	-163.6	0	0	0	0	118.2
853	S	30.7	Very low	29.8	Very low	100 Å²	100	155.6 Å²	155.6	70%	0.699	77%	0.767	S	S	*	*				48.3	136.7	118	-49.8	0	0	0	0	123.9
854	E	29.6	Very low	29.9	Very low	147 Å²	147	153.7 Å²	153.7	69%	0.687	76%	0.76	S	S	*	*			trans	56.4	96.6	141.3	-66.7	-172.7	99.6	0	0	120.8	Q856	E854-Q856 PolarHBondContact OE1-NE2 3.17Å
855	L	32.8	Very low	29.8	Very low	184 Å²	184	152 Å²	152	96%	0.963	76%	0.76	S	S	*	*				-126	109.3	123.4	-85.8	-176.2	0	0	0	112
856	Q	28.4	Very low	29.8	Very low	138 Å²	138	156.5 Å²	156.5	65%	0.645	77%	0.77	S	S	*	*			trans	-54.5	153.1	171	-61.4	173.9	-4.6	0	0	115.2	E854	E854-Q856 PolarHBondContact OE1-NE2 3.17Å
857	D	28.6	Very low	29.8	Very low	139 Å²	139	153.3 Å²	153.3	74%	0.743	76%	0.761	S	S	*	*			trans	33.3	92.5	139	-68.6	-40.9	0	0	0	119.4
858	K	32.5	Very low	30.1	Very low	193 Å²	193	158.2 Å²	158.2	84%	0.839	77%	0.773	S	S	*	*				-161.8	107.6	126.2	-85.8	119.2	-156.7	155.5	0	110.8
859	F	31.3	Very low	30.3	Very low	195 Å²	195	161.2 Å²	161.2	86%	0.855	78%	0.78	S	S	*	*			trans	177.7	73	131.6	-99.2	-63.3	0	0	0	111.2
860	K	29.7	Very low	30.4	Very low	205 Å²	205	154.4 Å²	154.4	89%	0.891	78%	0.779	S	S	*	*	S	Bend	trans	-131.3	28.2	176.8	-153.6	176.1	-177.8	173.7	0	113.8
861	T	29.8	Very low	30.6	Very low	120 Å²	120	149.8 Å²	149.8	74%	0.736	78%	0.778	S	S	*	*			trans	-155.5	101.6	178.2	27.9	0	0	0	0	112.4
862	L	31.1	Very low	30.9	Very low	132 Å²	132	150.7 Å²	150.7	69%	0.691	79%	0.788	S	S	*	*			trans	175	96.6	159.8	-99.9	157.3	0	0	0	106.3	H864	L862-H864 VanDerWaalsContact CD2-NE2 3.34Å; L862-H864 WeakPolarHBondContact CD2-NE2 3.44Å
863	K	28.6	Very low	30.8	Very low	187 Å²	187	152 Å²	152	81%	0.813	79%	0.79	S	S	*	*			cis	84.1	45.4	18	-143.4	-170.7	-177.1	-174.7	0	117.1
864	H	32.5	Very low	31	Very low	156 Å²	156	155.4 Å²	155.4	72%	0.722	80%	0.8	S	S	*	*			trans	-125.6	116.6	148.1	-59.2	-76.7	0	0	0	107.8	L862	L862-H864 VanDerWaalsContact CD2-NE2 3.34Å; L862-H864 WeakPolarHBondContact CD2-NE2 3.44Å
865	S	27.5	Very low	30.8	Very low	105 Å²	105	153.5 Å²	153.5	73%	0.734	80%	0.802	S	S	*	*			cis	80.7	74.6	45.2	-171	0	0	0	0	114
866	W	29.9	Very low	30.9	Very low	256 Å²	256	151.4 Å²	151.4	97%	0.97	79%	0.791	S	S	*	*			trans	-123.6	130.6	154.6	-83.7	71.5	0	0	0	109.1
867	S	27.4	Very low	31	Very low	91 Å²	91	151.8 Å²	151.8	64%	0.636	79%	0.792	S	S	*	*			trans	-157.8	116.1	-172.2	-176.3	0	0	0	0	111.1
868	M	34.2	Very low	31.2	Very low	176 Å²	176	150 Å²	150	87%	0.867	78%	0.783	S	S	*	*			trans	-150	118.9	170.2	-72.6	-75	119.6	0	0	105.1
869	K	32.7	Very low	31	Very low	198 Å²	198	148.5 Å²	148.5	86%	0.861	78%	0.779	S	S	*	*			cis	93.2	126.2	16.1	-153.2	175.8	-176.5	-179.2	0	114.3
870	G	31.8	Very low	31.1	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	77%	0.773	S	S	*	*			trans	94.3	136	-158	0	0	0	0	0	109.6
871	G	33.3	Very low	31.2	Very low	67 Å²	67	146.1 Å²	146.1	69%	0.691	77%	0.774	S	S	*	*			cis	137.7	134.3	11.4	0	0	0	0	0	107.1
872	N	35.2	Very low	31.4	Very low	167 Å²	167	144 Å²	144	89%	0.893	78%	0.776	S	S	*	*			cis	-142.9	170.4	17.5	-65.7	-38.9	0	0	0	111.9
873	N	29.7	Very low	31.5	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	79%	0.785	S	S	*	*			trans	-80.9	153.5	170.5	-54.1	-67.3	0	0	0	111.7
874	L	33.8	Very low	31.6	Very low	173 Å²	173	142 Å²	142	91%	0.906	79%	0.785	S	S	*	*				-150.2	153.5	123.6	-138.4	68.3	0	0	0	111.3
875	S	26.1	Very low	31.7	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	79%	0.791	S	S	*	*			trans	-112.4	-160.8	-179.8	-171.4	0	0	0	0	109.6
876	I	34.3	Very low	31.9	Very low	140 Å²	140	143 Å²	143	72%	0.718	80%	0.796	S	S	*	*			trans	85.4	131.6	176.7	-54.2	166.1	0	0	0	112.9
877	Q	31	Very low	32.3	Very low	146 Å²	146	136 Å²	136	68%	0.682	78%	0.783	S	S	*	*			cis	-167.2	173.4	-28.8	-133.1	164.9	-87.5	0	0	109.1
878	D	31.9	Very low	32.4	Very low	102 Å²	102	142.5 Å²	142.5	55%	0.545	79%	0.794	S	S	.	*			trans	47.7	107.8	150	-65.9	-42.5	0	0	0	120.2
879	Q	29.8	Very low	32.2	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	79%	0.785	S	S	*	*				101.3	166.2	77.6	-90.7	-169.2	77.7	0	0	113.2
880	I	33.1	Very low	32.1	Very low	141 Å²	141	137 Å²	137	72%	0.723	78%	0.783	S	S	*	*			trans	78.8	112.6	163	-70	157.1	0	0	0	119.1
881	F	32.4	Very low	32.1	Very low	210 Å²	210	138.6 Å²	138.6	92%	0.921	78%	0.782	S	S	*	*			trans	49.1	141.8	145	-74.8	-113.3	0	0	0	122.3
882	G	33	Very low	32.1	Very low	76 Å²	76	139.7 Å²	139.7	78%	0.784	79%	0.785	S	S	*	*			trans	171.1	102.4	164.1	0	0	0	0	0	115.8
883	V	33.9	Very low	32.1	Very low	146 Å²	146	138.1 Å²	138.1	89%	0.885	78%	0.781	S	S	*	*			trans	-55.8	152.2	-179.1	-79.2	0	0	0	0	117.2
884	T	30.4	Very low	32.4	Very low	131 Å²	131	137.5 Å²	137.5	80%	0.804	78%	0.777	S	S	*	*			trans	-52.2	145.5	170.5	51.6	0	0	0	0	116.3
885	S	33.7	Very low	32.5	Very low	122 Å²	122	134.8 Å²	134.8	85%	0.853	77%	0.773	S	S	*	*				-178.7	-177.2	124.4	49.1	0	0	0	0	114.1
886	L	33	Very low	33	Very low	160 Å²	160	135 Å²	135	84%	0.838	77%	0.771	S	S	*	*			trans	-96.3	-178.5	-171.6	-90.6	73.7	0	0	0	111.5
887	P	37	Very low	32.9	Very low	107 Å²	107	134.8 Å²	134.8	70%	0.695	77%	0.771	S	S	*	*			cis	-142	-173.4	-37.9	39.5	-21.1	0	0	0	114.4
888	R	30.5	Very low	33.1	Very low	228 Å²	228	136.3 Å²	136.3	86%	0.86	78%	0.778	S	S	*	*			trans	74.3	89.3	140.6	-143.7	-180	-168.9	172.5	1.2	121.4
889	S	30.1	Very low	33.2	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	79%	0.785	S	S	*	*			trans	64.4	142.9	130.8	69.6	0	0	0	0	124.3
890	I	30	Very low	33.2	Very low	162 Å²	162	136.3 Å²	136.3	83%	0.831	79%	0.791	S	S	*	*			trans	96.1	101.7	159.8	-51.8	176.5	0	0	0	118
891	S	32.8	Very low	33.1	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	79%	0.791	S	S	*	*			trans	-176.9	135.1	137.2	29.3	0	0	0	0	106.3
892	A	32.4	Very low	33	Very low	90 Å²	90	133.1 Å²	133.1	74%	0.744	79%	0.788	S	S	*	*			cis	92.7	100.6	33.1	0	0	0	0	0	113.8
893	V	35.8	Very low	32.8	Very low	133 Å²	133	137.2 Å²	137.2	81%	0.806	79%	0.787	S	S	*	*			trans	-163.7	122.9	147.4	-97.5	0	0	0	0	111.7
894	N	34.7	Very low	32.7	Very low	144 Å²	144	136 Å²	136	77%	0.77	78%	0.78	S	S	*	*			trans	58.6	94.7	137.5	-50.4	-5.9	0	0	0	121.7
895	S	35.9	Very low	32.5	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	78%	0.777	S	S	*	*				30.6	151.8	104.2	-55.7	0	0	0	0	120.9
896	P	37.5	Very low	32.3	Very low	110 Å²	110	136.2 Å²	136.2	71%	0.714	78%	0.776	S	S	*	*			cis	-144.4	163.8	34	41.9	-22.7	0	0	0	120.4
897	L	33.1	Very low	32.1	Very low	136 Å²	136	133.3 Å²	133.3	71%	0.712	77%	0.769	S	S	*	*			trans	52.6	124.3	143.2	-82.5	46.5	0	0	0	120.3
898	E	34.3	Very low	31.8	Very low	178 Å²	178	132.9 Å²	132.9	83%	0.832	77%	0.768	S	S	*	*				77.8	142.3	68.4	-75.4	-178.8	-173.8	0	0	113.4
899	A	33.2	Very low	31.6	Very low	83 Å²	83	129.8 Å²	129.8	69%	0.686	77%	0.769	S	S	*	*			cis	-140.4	-173.6	-2.4	0	0	0	0	0	107.9
900	M	31.1	Very low	31.6	Very low	180 Å²	180	134 Å²	134	89%	0.887	78%	0.778	S	S	*	*			cis	-149.5	143.7	28	-65.8	170.3	-84.9	0	0	111.8
901	A	31	Very low	31.6	Very low	86 Å²	86	133.8 Å²	133.8	71%	0.711	78%	0.778	S	S	*	*			trans	-129.3	149.6	155.9	0	0	0	0	0	107.9
902	F	30.7	Very low	31.4	Very low	199 Å²	199	136.3 Å²	136.3	87%	0.873	78%	0.779	S	S	*	*			trans	-132.6	88.6	161.6	-104.8	-74.3	0	0	0	109.4
903	E	28.9	Very low	31.2	Very low	161 Å²	161	138.3 Å²	138.3	75%	0.752	78%	0.777	S	S	*	*			trans	-75.8	144.9	150.8	-62.9	-175.7	124.8	0	0	108.5
904	T	29.9	Very low	31.1	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	78%	0.782	S	S	*	*			trans	-134.6	72.6	154.5	-49.3	0	0	0	0	109.7	V906	T904-V906 HydrophobicContact CG2-CG2 4.18Å
905	T	26.3	Very low	30.8	Very low	119 Å²	119	140.6 Å²	140.6	73%	0.73	78%	0.784	S	S	*	*			trans	-86.7	113.4	157.4	54.5	0	0	0	0	109
906	V	30.2	Very low	30.5	Very low	138 Å²	138	141 Å²	141	84%	0.836	79%	0.785	S	S	*	*			trans	-97.7	140.3	164.5	178.7	0	0	0	0	108.6	T904	T904-V906 HydrophobicContact CG2-CG2 4.18Å
907	S	28.3	Very low	30.2	Very low	100 Å²	100	139.8 Å²	139.8	70%	0.699	78%	0.779	S	S	*	*			trans	-141.6	166.2	-165.8	-175.9	0	0	0	0	111.8
908	S	30.6	Very low	30.3	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	78%	0.782	S	S	*	*			trans	70.1	90.3	158.4	-58.4	0	0	0	0	119.5
909	N	26.2	Very low	30.2	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	78%	0.775	S	S	*	*				24.4	107.1	121.5	-59.4	-23.2	0	0	0	119.4
910	Q	31.9	Very low	30.2	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	78%	0.781	S	S	*	*			trans	-137.5	126.1	138.3	-66.9	-173.2	-1.6	0	0	106.3
911	L	28.1	Very low	30.1	Very low	157 Å²	157	138.3 Å²	138.3	82%	0.822	77%	0.771	S	S	*	*				74.3	88	55.9	-169.3	91.3	0	0	0	113.5
912	M	30.1	Very low	30	Very low	166 Å²	166	143.1 Å²	143.1	82%	0.818	78%	0.776	S	S	*	*			trans	-160	164.5	134.9	-141.4	49.2	162	0	0	113.2
913	N	28.2	Very low	30	Very low	131 Å²	131	141.8 Å²	141.8	70%	0.701	77%	0.773	S	S	*	*			trans	-77.6	147.6	-166.4	-43.8	-68.4	0	0	0	115
914	Q	33.5	Very low	29.9	Very low	196 Å²	196	140 Å²	140	92%	0.916	77%	0.773	S	S	*	*				-157.3	171.5	127	-109.8	170.3	43.4	0	0	111
915	T	27	Very low	30	Very low	130 Å²	130	142.1 Å²	142.1	80%	0.798	78%	0.778	S	S	*	*			trans	-122	173.7	-155.2	47.3	0	0	0	0	114.5
916	C	30.2	Very low	30.2	Very low	122 Å²	122	143.4 Å²	143.4	82%	0.824	78%	0.78	S	S	*	*			trans	81.6	141.6	167.2	-155	0	0	0	0	116.2
917	S	30.7	Very low	30.3	Very low	86 Å²	86	142.2 Å²	142.2	60%	0.601	78%	0.779	S	S	*	*			cis	-161.9	178.2	-34.6	62.6	0	0	0	0	110.7
918	Q	36.4	Very low	30.5	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.762	79%	0.785	S	S	*	*			trans	77	104	162.2	-63.8	178.7	49.3	0	0	121.3
919	N	32.4	Very low	30.5	Very low	130 Å²	130	148.8 Å²	148.8	70%	0.695	80%	0.795	S	S	*	*				51	102.8	119.4	-49.3	-14.8	0	0	0	121.2
920	N	33.1	Very low	30.6	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	79%	0.794	S	S	*	*				169.7	154	94.5	-91.2	-35.2	0	0	0	115.5
921	C	29.3	Very low	30.4	Very low	100 Å²	100	145.9 Å²	145.9	68%	0.676	79%	0.793	S	S	*	*			trans	45.3	121.7	155.3	-69.4	0	0	0	0	122.9
922	F	27.2	Very low	30.6	Very low	186 Å²	186	144.2 Å²	144.2	82%	0.816	79%	0.79	S	S	*	*			trans	43.1	151	131.3	-64.7	-79.4	0	0	0	121.4
923	Q	31.3	Very low	30.6	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	79%	0.793	S	S	*	*			cis	-154.9	159.7	23.9	-151.1	160.5	19.5	0	0	113.5
924	T	26.1	Very low	30.7	Very low	122 Å²	122	145.3 Å²	145.3	75%	0.748	80%	0.798	S	S	*	*			trans	-73	135	176.4	-48.2	0	0	0	0	112.8
925	I	32.4	Very low	30.6	Very low	167 Å²	167	144 Å²	144	86%	0.856	80%	0.796	S	S	*	*			trans	-97.5	126	161.3	-62.7	179.8	0	0	0	109.3
926	N	31	Very low	30.7	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	80%	0.798	S	S	*	*			trans	-138	107.1	179.1	-163.8	10.6	0	0	0	108	N928	N926-N928 PolarHBondContact O-N 3.46Å
927	S	32	Very low	30.8	Very low	114 Å²	114	146.4 Å²	146.4	80%	0.797	80%	0.8	S	S	*	*			trans	-80.5	90.3	-165.9	59.2	0	0	0	0	112.5
928	N	32.7	Very low	31.1	Very low	155 Å²	155	147.3 Å²	147.3	83%	0.829	81%	0.806	S	S	*	*			trans	-124	117.4	173.6	-134.9	4.8	0	0	0	108.6	N926	N926-N928 PolarHBondContact O-N 3.46Å
929	M	30.2	Very low	30.8	Very low	180 Å²	180	149.9 Å²	149.9	89%	0.887	82%	0.815	S	S	*	*			trans	-96.7	108.1	-173.7	-81	-69.4	160	0	0	112
930	N	29.3	Very low	30.7	Very low	161 Å²	161	147 Å²	147	86%	0.861	82%	0.815	S	S	*	*			trans	-171.1	97.8	165.7	-100.5	-28.1	0	0	0	110.3
931	C	27.5	Very low	30.7	Very low	127 Å²	127	146 Å²	146	86%	0.858	82%	0.815	S	S	*	*			trans	-174.9	160.3	165.3	-103.1	0	0	0	0	109.4
932	V	32.1	Very low	30.5	Very low	123 Å²	123	148.5 Å²	148.5	75%	0.745	82%	0.817	S	S	*	*			cis	-167.5	155.8	-43	121	0	0	0	0	106.5
933	Q	29.9	Very low	30.7	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	81%	0.811	S	S	*	*			trans	-67.8	134.7	175.6	-68	166.5	-56.7	0	0	111.3
934	T	29.7	Very low	30.5	Very low	129 Å²	129	145.2 Å²	145.2	79%	0.791	80%	0.804	S	S	*	*			trans	-103.3	133.4	165.6	-61.2	0	0	0	0	109.2
935	L	31.2	Very low	30.7	Very low	168 Å²	168	145.2 Å²	145.2	88%	0.88	80%	0.798	S	S	*	*			trans	-124.8	119.5	176.8	-129	166.4	0	0	0	107.6
936	Q	30	Very low	30.6	Very low	179 Å²	179	145.5 Å²	145.5	84%	0.836	79%	0.793	S	S	*	*			trans	-100.4	137.2	171.7	-72.5	-178.8	-20.9	0	0	109.2
937	S	32.9	Very low	30.6	Very low	124 Å²	124	145 Å²	145	87%	0.867	79%	0.79	S	S	*	*			trans	-152.9	143.6	159.6	-174.7	0	0	0	0	109.2
938	S	35.6	Very low	30.7	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	79%	0.786	S	S	*	*			trans	-114.5	128.8	-171	53.8	0	0	0	0	112.2
939	K	29.9	Very low	30.4	Very low	217 Å²	217	144 Å²	144	94%	0.943	78%	0.784	S	S	*	*			trans	11.2	121.2	154.1	-59.2	178	179.9	179.6	0	117.8
940	G	31.4	Very low	30.3	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	78%	0.779	S	S	*	*			trans	177	124	158.2	0	0	0	0	0	112.7
941	T	32.4	Very low	30	Very low	132 Å²	132	140.2 Å²	140.2	81%	0.81	77%	0.771	S	S	*	*			trans	10.3	141	145.3	44.4	0	0	0	0	119.8
942	E	26.6	Very low	30	Very low	153 Å²	153	139.1 Å²	139.1	72%	0.715	77%	0.765	S	S	*	*			cis	-172.6	157.7	-7.7	-153	174.5	178.3	0	0	108.7
943	H	30.1	Very low	29.7	Very low	151 Å²	151	140.1 Å²	140.1	70%	0.699	77%	0.766	S	S	*	*			trans	63.1	149	165.3	-82.8	30.5	0	0	0	117
944	Q	28.3	Very low	29.5	Very low	139 Å²	139	137.4 Å²	137.4	65%	0.65	75%	0.753	S	S	*	*			cis	-157.8	176.2	-24.4	-134.5	-166.7	87.8	0	0	108.7
945	I	29.7	Very low	29.5	Very low	121 Å²	121	140.2 Å²	140.2	62%	0.621	75%	0.749	S	S	*	*			trans	73.5	96.6	158.9	-65	157.2	0	0	0	117.4
946	K	30.7	Very low	29.4	Very low	173 Å²	173	140 Å²	140	75%	0.752	75%	0.75	S	S	*	*			trans	71.1	135.3	132.6	-59.7	-178.9	-165.6	173.2	0	119.7
947	D	31.3	Very low	29.6	Very low	135 Å²	135	135.4 Å²	135.4	72%	0.722	75%	0.749	S	S	*	*			cis	-156	155.7	-1.2	-117.7	-31.6	0	0	0	115.6
948	V	34	Very low	29.5	Very low	116 Å²	116	136.2 Å²	136.2	70%	0.703	75%	0.749	S	S	*	*			trans	54.1	102.3	162.7	-173.6	0	0	0	0	118.9
949	T	26.4	Very low	29.5	Very low	131 Å²	131	137 Å²	137	80%	0.804	76%	0.755	S	S	*	*			trans	-121.7	112.7	142.7	-66.3	0	0	0	0	108.7
950	L	26.7	Very low	29.7	Very low	147 Å²	147	131.1 Å²	131.1	77%	0.77	74%	0.741	S	S	*	*			trans	-154.1	137.1	163.9	-90.5	118.2	0	0	0	107.7
951	V	24.7	Very low	29.8	Very low	115 Å²	115	137.5 Å²	137.5	70%	0.697	75%	0.75	S	S	*	*			cis	82.5	90.1	33.3	-175.1	0	0	0	0	113.6
952	S	26.2	Very low	29.7	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	75%	0.753	S	S	*	*			trans	-166.4	130.9	148.7	10.2	0	0	0	0	105.8
953	N	25.3	Very low	30.1	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	76%	0.761	S	S	*	*				61.9	128.4	72.9	-58.9	-15.9	0	0	0	110.3
954	E	27	Very low	30.3	Very low	133 Å²	133	142.4 Å²	142.4	62%	0.621	77%	0.77	S	S	*	*				-161.7	162	50.2	-85.6	-161.5	118.8	0	0	117
955	R	29.8	Very low	30.6	Very low	188 Å²	188	143.3 Å²	143.3	71%	0.709	78%	0.779	S	S	*	*			trans	61.8	101.8	144.6	-67.3	161.2	-161.1	176.8	10.1	121.1
956	N	27.4	Very low	31.4	Very low	165 Å²	165	143.6 Å²	143.6	88%	0.882	79%	0.788	S	S	*	*				42.8	119.5	115.1	-56.1	-5.2	0	0	0	120.1
957	G	34.2	Very low	32	Very low	81 Å²	81	143.6 Å²	143.6	84%	0.835	79%	0.791	S	S	*	*			trans	-163.7	83.9	166.8	0	0	0	0	0	113.1
958	T	32.8	Very low	32.4	Very low	141 Å²	141	142.9 Å²	142.9	87%	0.865	79%	0.793	S	S	*	*			trans	-87.1	130.2	-177.7	50	0	0	0	0	113.3
959	S	35	Very low	33	Very low	121 Å²	121	143.4 Å²	143.4	85%	0.846	80%	0.799	S	S	*	*			trans	-170.7	149.6	136.6	36.8	0	0	0	0	114.2
960	S	33.1	Very low	33.6	Very low	95 Å²	95	147 Å²	147	66%	0.664	80%	0.804	S	S	*	*			trans	-46.4	145.7	175.8	51.3	0	0	0	0	117.5
961	F	34.1	Very low	34.1	Very low	201 Å²	201	152.1 Å²	152.1	88%	0.882	81%	0.813	S	S	*	*				-165.2	132.7	101.3	-116.3	-79.6	0	0	0	113.2
962	L	29.4	Very low	34.4	Very low	167 Å²	167	156 Å²	156	87%	0.874	82%	0.82	S	S	*	*			trans	-97.3	141.9	174.4	-75.1	168.1	0	0	0	111.3
963	K	36.8	Very low	34.8	Very low	203 Å²	203	159.3 Å²	159.3	88%	0.883	83%	0.83	S	S	*	*			trans	-153.3	83.8	160.6	-142.4	160.2	-170.4	168.6	0	116
964	L	33.3	Very low	35	Very low	170 Å²	170	158.2 Å²	158.2	89%	0.89	83%	0.834	S	S	*	*			trans	29.1	132.8	140.1	-74.6	154.6	0	0	0	122
965	L	34.8	Very low	35.3	Very low	158 Å²	158	156.8 Å²	156.8	83%	0.827	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-71.1	157.8	162.9	-71.8	152	0	0	0	113.2
966	P	45.5	Very low	35.4	Very low	126 Å²	126	154.4 Å²	154.4	82%	0.818	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-95	123.8	157.6	2.4	18	0	0	0	112.1
967	Q	44	Very low	35.6	Very low	174 Å²	174	152.7 Å²	152.7	81%	0.813	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-93.1	158.3	166	-72.8	-173.1	1.2	0	0	111.4
968	P	40.8	Very low	35.3	Very low	119 Å²	119	157.6 Å²	157.6	77%	0.773	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-71.4	142.8	175.1	29.6	-34.9	0	0	0	112.2
969	P	44.7	Very low	35.5	Very low	127 Å²	127	157.8 Å²	157.8	83%	0.825	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-83.2	135.9	-167.7	31.7	-35.9	0	0	0	114.4
970	K	40.7	Very low	35.3	Very low	207 Å²	207	157.8 Å²	157.8	90%	0.9	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-101.4	131.1	157.8	-68.4	-176.9	178.7	-179.4	0	108.9
971	R	36.7	Very low	35.3	Very low	254 Å²	254	160.8 Å²	160.8	96%	0.958	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-89.7	131	169.2	-79.9	-178.3	169.3	144.3	-2.9	110
972	K	30.5	Very low	35.3	Very low	196 Å²	196	158.9 Å²	158.9	85%	0.852	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-98.4	154.4	155	-67.4	-175.6	177.3	-175.6	0	108.2
973	N	35.2	Very low	35.4	Very low	174 Å²	174	157.6 Å²	157.6	93%	0.93	82%	0.818	S	S	*	*			trans	-140.6	145.9	145.2	-102.7	9.6	0	0	0	106
974	S	29.1	Very low	35.2	Very low	123 Å²	123	153.3 Å²	153.3	86%	0.86	81%	0.805	S	S	*	*			trans	-127.8	137	-173.4	47.7	0	0	0	0	110.3
975	A	34.3	Very low	35.3	Very low	103 Å²	103	150.5 Å²	150.5	85%	0.851	79%	0.791	S	S	*	*			trans	-141	125.1	168.1	0	0	0	0	0	109.4
976	T	31	Very low	35.3	Very low	137 Å²	137	149.3 Å²	149.3	84%	0.84	78%	0.781	S	S	*	*			trans	-61.8	134.9	-179.7	-53.3	0	0	0	0	113.3
977	T	32.1	Very low	34.7	Very low	129 Å²	129	150 Å²	150	79%	0.791	77%	0.773	S	S	*	*				-169.9	130.9	120.4	25.6	0	0	0	0	111.9
978	Q	27.5	Very low	34.2	Very low	185 Å²	185	149.7 Å²	149.7	86%	0.864	77%	0.772	S	S	*	*			trans	-104.9	147.6	142.7	-73.4	179.2	-16	0	0	106.3
979	I	36.5	Very low	33.8	Very low	145 Å²	145	149.3 Å²	149.3	74%	0.744	77%	0.767	S	S	*	*			trans	-162.7	108	154.1	-97.8	146.2	0	0	0	106.3
980	D	31.4	Very low	33.1	Very low	120 Å²	120	147.6 Å²	147.6	64%	0.642	76%	0.758	S	S	*	*			trans	56.2	120.9	132.6	-49.8	-25.1	0	0	0	123.2
981	H	33.9	Very low	32.7	Very low	159 Å²	159	144.6 Å²	144.6	74%	0.736	75%	0.75	S	S	*	*				82	120.3	119.8	-72.6	-15.2	0	0	0	123
982	K	32.7	Very low	32.4	Very low	161 Å²	161	140.9 Å²	140.9	70%	0.7	74%	0.744	S	S	*	*				106.3	122.7	114.6	-91.7	-171.6	170.6	-175.5	0	120.4
983	M	32.5	Very low	32.4	Very low	139 Å²	139	135.4 Å²	135.4	69%	0.685	74%	0.735	S	S	*	*			trans	70.5	150.2	138.9	-59.6	-160.9	-43.8	0	0	118.5
984	N	32.4	Very low	32.1	Very low	113 Å²	113	132.9 Å²	132.9	60%	0.604	73%	0.726	S	S	*	*			cis	-161.2	150.7	-14.8	-113.5	12.9	0	0	0	110.4
985	N	34.4	Very low	32.1	Very low	111 Å²	111	135.1 Å²	135.1	59%	0.594	73%	0.728	S	S	*	*			trans	59.3	174	142.1	-54.7	12	0	0	0	118.9
986	H	35.7	Very low	32	Very low	133 Å²	133	133.3 Å²	133.3	62%	0.616	72%	0.719	S	S	*	*			cis	-142.6	154.1	-0.3	-118	-56.3	0	0	0	110.7
987	E	32.5	Very low	32	Very low	140 Å²	140	135 Å²	135	65%	0.654	72%	0.721	S	S	*	*			trans	59.1	124.9	146.2	-81	140.1	-151.4	0	0	121.6
988	H	34.6	Very low	32	Very low	169 Å²	169	132.2 Å²	132.2	78%	0.782	72%	0.718	S	S	*	*				66.5	143.7	73.4	-76.3	-106.4	0	0	0	112.1
989	T	31.9	Very low	32.1	Very low	110 Å²	110	131.8 Å²	131.8	68%	0.675	72%	0.716	S	S	*	*			cis	-152.2	130.3	12.3	9.8	0	0	0	0	106.8
990	S	29.1	Very low	31.9	Very low	92 Å²	92	131 Å²	131	64%	0.643	71%	0.712	S	S	*	*				57.9	144	90.1	77.7	0	0	0	0	117.9
991	I	32.7	Very low	31.8	Very low	143 Å²	143	130.6 Å²	130.6	73%	0.733	71%	0.714	S	S	*	*			trans	115.4	114.3	158.9	-63.5	160.9	0	0	0	115.9
992	E	29.9	Very low	31.6	Very low	177 Å²	177	129 Å²	129	83%	0.827	71%	0.711	S	S	*	*			trans	37.7	155.7	136.3	-58.2	169	178.8	0	0	122.8
993	A	30.2	Very low	31.6	Very low	80 Å²	80	131 Å²	131	66%	0.661	72%	0.716	S	S	*	*			cis	-175.7	179.1	-22.9	0	0	0	0	0	110.3
994	T	30.9	Very low	31.5	Very low	122 Å²	122	132 Å²	132	75%	0.748	72%	0.724	S	S	*	*			trans	80.4	105.2	147.3	-52	0	0	0	0	122
995	L	28	Very low	31.6	Very low	170 Å²	170	132.6 Å²	132.6	89%	0.89	73%	0.732	S	S	*	*			trans	47.2	142.2	134.6	-57.5	174	0	0	0	124.4
996	G	32.9	Very low	31.7	Very low	64 Å²	64	133 Å²	133	66%	0.66	74%	0.738	S	S	*	*			trans	132	99	166.5	0	0	0	0	0	111.2
997	I	30.3	Very low	31.6	Very low	174 Å²	174	134.2 Å²	134.2	89%	0.892	75%	0.749	S	S	*	*				71.4	116.1	61	-55	177.5	0	0	0	113.4
998	G	32.5	Very low	31.7	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	76%	0.76	S	S	*	*			trans	92.5	154	169.9	0	0	0	0	0	115.6
999	E	30.3	Very low	31.7	Very low	176 Å²	176	135.7 Å²	135.7	82%	0.822	76%	0.761	S	S	*	*			cis	-163.2	161.2	-22.8	-141.7	179.7	172.8	0	0	110.8
1000	L	30.5	Very low	31.8	Very low	128 Å²	128	134.6 Å²	134.6	67%	0.67	76%	0.758	S	S	*	*			trans	52.4	129.3	150.7	-115.9	75.5	0	0	0	123.1
1001	T	30.2	Very low	32.1	Very low	111 Å²	111	139.6 Å²	139.6	68%	0.681	77%	0.768	S	S	*	*			trans	67.4	152.1	141.7	45.1	0	0	0	0	119.9
1002	D	30.3	Very low	32.2	Very low	125 Å²	125	140.3 Å²	140.3	67%	0.668	77%	0.772	S	S	*	*			cis	-156.5	-174.4	4.8	-134.6	-32.1	0	0	0	114.4
1003	Y	32.5	Very low	32.4	Very low	204 Å²	204	137.4 Å²	137.4	80%	0.8	77%	0.767	S	S	*	*			trans	91.7	93.9	161.6	-65.8	-70.7	0	0	0	120.4
1004	N	29.2	Very low	32.6	Very low	161 Å²	161	138 Å²	138	86%	0.861	77%	0.765	S	S	*	*			trans	-97.9	151.2	151.7	-74.5	-58.1	0	0	0	111
1005	T	35.3	Very low	32.6	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	76%	0.762	S	S	*	*			trans	-160.9	142.3	162	34	0	0	0	0	110
1006	T	35.8	Very low	32.7	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.724	76%	0.755	S	S	*	*			cis	-171.7	143.1	-22.2	11.8	0	0	0	0	106.7
1007	N	34	Very low	32.7	Very low	159 Å²	159	142.2 Å²	142.2	85%	0.85	76%	0.758	S	S	*	*			trans	-177.8	104.3	136.3	-99	-4	0	0	0	110.7
1008	E	34.3	Very low	32.6	Very low	189 Å²	189	140.1 Å²	140.1	88%	0.883	75%	0.754	S	S	*	*			trans	-129.6	134.4	169.9	-101.6	-80.4	149.4	0	0	105.3
1009	L	35.6	Very low	32.6	Very low	152 Å²	152	141.2 Å²	141.2	80%	0.796	75%	0.75	S	S	*	*			trans	-130.8	104	-176.1	-103.9	170.9	0	0	0	112.3
1010	S	34.4	Very low	32.9	Very low	87 Å²	87	138.9 Å²	138.9	61%	0.608	74%	0.743	S	S	*	*			trans	43.9	109.3	146.2	55.2	0	0	0	0	118.2
1011	K	34.1	Very low	33	Very low	197 Å²	197	139.6 Å²	139.6	86%	0.857	75%	0.747	S	S	*	*				53.7	100.4	81.7	-66.4	-177.8	175.7	-177.9	0	114.9
1012	L	35	Very low	33.1	Very low	158 Å²	158	140.6 Å²	140.6	83%	0.827	75%	0.748	S	S	*	*				-143.7	139	121.4	-67.1	-175.8	0	0	0	105.6
1013	T	34.5	Very low	33.2	Very low	116 Å²	116	142.8 Å²	142.8	71%	0.712	75%	0.754	S	S	*	*				49.9	131.2	63.3	49.6	0	0	0	0	113.3
1014	S	33.6	Very low	33	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	75%	0.753	S	S	*	*			cis	-167.8	164.5	16.8	-117.9	0	0	0	0	113.3
1015	I	32.3	Very low	33.2	Very low	132 Å²	132	135.4 Å²	135.4	68%	0.677	74%	0.743	S	S	*	*			trans	61.6	115.6	137.8	-66.5	165.4	0	0	0	119.7
1016	E	28.6	Very low	33	Very low	157 Å²	157	136.2 Å²	136.2	73%	0.734	74%	0.742	S	S	*	*			trans	57.9	163	137.9	-60.6	173.3	-158.4	0	0	119.1
1017	Q	32.6	Very low	32.8	Very low	157 Å²	157	138 Å²	138	73%	0.734	74%	0.741	S	S	*	*			cis	-149.7	172	20.9	-144.8	150.5	69.2	0	0	112.6
1018	T	29	Very low	32.6	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	73%	0.732	S	S	*	*			trans	-50.8	162.9	167.2	51.9	0	0	0	0	113.3
1019	S	33.3	Very low	32.2	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	72%	0.724	S	S	*	*			cis	-143.1	-157.7	21.8	58.8	0	0	0	0	110.6
1020	D	35.2	Very low	31.8	Very low	126 Å²	126	132.4 Å²	132.4	67%	0.674	71%	0.714	S	S	*	*			cis	-148.5	136.3	1	-109.3	-42.6	0	0	0	107.9
1021	L	32.6	Very low	31.4	Very low	144 Å²	144	132.5 Å²	132.5	75%	0.754	71%	0.711	S	S	*	*				73.6	141.8	93.5	-77	-171.8	0	0	0	118.9
1022	N	32.5	Very low	30.9	Very low	132 Å²	132	126.1 Å²	126.1	71%	0.706	69%	0.689	S	S	*	*			trans	75.2	105.9	175.6	-54.3	-16.6	0	0	0	115.9
1023	E	32.5	Very low	30.5	Very low	170 Å²	170	128 Å²	128	79%	0.794	69%	0.686	S	S	*	*				82.8	142.8	61.6	-77	-158.8	149.3	0	0	114
1024	L	29.2	Very low	30.1	Very low	148 Å²	148	129.6 Å²	129.6	78%	0.775	69%	0.689	S	S	*	*			cis	-163.9	115.6	-17.8	175.3	64.7	0	0	0	110.1
1025	G	32.4	Very low	30	Very low	63 Å²	63	129.9 Å²	129.9	65%	0.649	69%	0.689	S	S	*	*			trans	64.7	-168.5	169.2	0	0	0	0	0	116
1026	N	30.5	Very low	29.8	Very low	141 Å²	141	128.6 Å²	128.6	75%	0.754	69%	0.687	S	S	*	*			cis	-158.2	144.5	-18.8	-121.8	-12.1	0	0	0	111.9
1027	F	31.7	Very low	29.8	Very low	157 Å²	157	127.9 Å²	127.9	69%	0.689	69%	0.689	S	S	*	*			trans	58.3	111.1	153.1	-82.7	-128.9	0	0	0	122
1028	K	29.9	Very low	29.6	Very low	153 Å²	153	126 Å²	126	67%	0.665	69%	0.693	S	S	*	*				58	116.5	118.2	-63	-177.1	-168.8	173.7	0	121.9
1029	N	27.4	Very low	29.7	Very low	134 Å²	134	125.2 Å²	125.2	72%	0.717	69%	0.693	S	S	*	*				83	136.9	122.2	-64.2	15	0	0	0	122.6
1030	T	26.8	Very low	29.7	Very low	95 Å²	95	124.8 Å²	124.8	58%	0.583	69%	0.69	S	S	*	*			trans	81.9	132.6	134.9	44.3	0	0	0	0	124.1
1031	T	26.1	Very low	29.4	Very low	88 Å²	88	125.4 Å²	125.4	54%	0.54	69%	0.693	S	S	.	*			trans	82	90.8	137	-59.1	0	0	0	0	123	Q690 S691	Q690-T1031 PolarHBondContact NE2-OG1 2.85Å; Q690-T1031 VanDerWaalsContact NE2-OG1 3.08Å; Q690-T1031 PolarHBondContact OE1-OG1 3.4Å; S691-T1031 WeakPolarHBondContact OG-CA 3.23Å; S691-T1031 PolarHBondContact OG-N 2.93Å; S691-T1031 VanDerWaalsContact OG-N 3.14Å
1032	T	24.4	Very low	29.1	Very low	64 Å²	64	124.7 Å²	124.7	39%	0.393	69%	0.689	S	S	.	*				64.1	147.4	119.1	-30.4	0	0	0	0	121.5	Q690 S691	Q690-T1032 PolarHBondContact NE2-OG1 2.93Å; Q690-T1032 VanDerWaalsContact NE2-OG1 3.17Å; S691-T1032 PolarHBondContact OG-N 2.93Å
1033	Y	25.1	Very low	28.9	Very low	197 Å²	197	126.1 Å²	126.1	77%	0.773	69%	0.692	S	S	*	*			trans	87.6	120.6	160.6	-62.9	-66.8	0	0	0	119.3
1034	L	26.2	Very low	28.7	Very low	149 Å²	149	124.5 Å²	124.5	78%	0.78	69%	0.688	S	S	*	*				43.7	157.9	121.5	-66.6	176.5	0	0	0	121.2
1035	P	32.4	Very low	28.6	Very low	98 Å²	98	125.3 Å²	125.3	64%	0.636	69%	0.688	S	S	*	*			cis	-141.1	-152.7	-16.3	33	-8.5	0	0	0	113.7
1036	T	26.9	Very low	28.4	Very low	104 Å²	104	127 Å²	127	64%	0.638	69%	0.69	S	S	*	*			trans	70.3	112	143.1	44.7	0	0	0	0	122
1037	D	28.4	Very low	28.3	Very low	142 Å²	142	125.4 Å²	125.4	76%	0.759	69%	0.689	S	S	*	*				118.8	140.5	105.7	-80.8	-2.4	0	0	0	121.9
1038	S	29.4	Very low	28.1	Very low	117 Å²	117	124.2 Å²	124.2	82%	0.818	69%	0.689	S	S	*	*			trans	64.9	149.1	166.5	77.8	0	0	0	0	116.2
1039	S	31.6	Very low	28	Very low	114 Å²	114	122.5 Å²	122.5	80%	0.797	69%	0.688	S	S	*	*			cis	-168.8	172.9	-19.4	60.2	0	0	0	0	105.5
1040	S	32	Very low	28.1	Very low	85 Å²	85	124.2 Å²	124.2	59%	0.594	69%	0.689	S	S	*	*			cis	-158.3	165.1	5.6	60.2	0	0	0	0	108.2
1041	N	28.5	Very low	28.1	Very low	138 Å²	138	128.1 Å²	128.1	74%	0.738	70%	0.7	S	S	*	*			trans	65.4	134.1	152.8	-64.1	-28.3	0	0	0	118.9
1042	L	28.3	Very low	28.5	Very low	130 Å²	130	128.2 Å²	128.2	68%	0.681	70%	0.702	S	S	*	*			cis	-151.4	137.7	-4.1	-93	150.3	0	0	0	108.6
1043	Q	26.9	Very low	28.8	Very low	161 Å²	161	131.6 Å²	131.6	75%	0.752	72%	0.718	S	S	*	*				55	118.5	124	-143.4	161	3.5	0	0	117.9
1044	L	28.3	Very low	29	Very low	136 Å²	136	129 Å²	129	71%	0.712	72%	0.717	S	S	*	*			cis	-152.3	-178.7	27.7	-121	160.7	0	0	0	114.1
1045	Q	28	Very low	29.3	Very low	165 Å²	165	127 Å²	127	77%	0.771	71%	0.713	S	S	*	*			trans	-62.1	173.5	-178.5	-60.3	152.7	-53.7	0	0	114.2
1046	S	28.2	Very low	28.9	Very low	100 Å²	100	127 Å²	127	70%	0.699	72%	0.715	S	S	*	*			cis	-153.7	148.8	7.8	-3.7	0	0	0	0	108.7
1047	S	28.3	Very low	29	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	72%	0.722	S	S	*	*				60.6	133.4	73.2	-51.3	0	0	0	0	114.1
1048	L	27.4	Very low	28.9	Very low	132 Å²	132	133.3 Å²	133.3	69%	0.691	72%	0.722	S	S	*	*			cis	-157.2	166.2	2.9	-150.2	74.7	0	0	0	112.6
1049	D	26.6	Very low	28.9	Very low	117 Å²	117	135.1 Å²	135.1	63%	0.626	72%	0.723	S	S	*	*			trans	-19.5	154.5	156.6	-40	-28	0	0	0	117.8
1050	K	29.8	Very low	28.7	Very low	170 Å²	170	137 Å²	137	74%	0.739	72%	0.719	S	S	*	*				-164.8	147.3	59.1	-118.6	116.7	-163	136.5	0	116.9
1051	H	27.2	Very low	28.4	Very low	177 Å²	177	140.2 Å²	140.2	82%	0.819	73%	0.728	S	S	*	*			trans	-63.1	175.5	152.3	-93.1	-96.8	0	0	0	112.6
1052	P	35.5	Very low	28.3	Very low	90 Å²	90	140.2 Å²	140.2	58%	0.584	73%	0.726	S	S	*	*			cis	-141.3	-138.4	-48.9	41.9	-21	0	0	0	110.9
1053	N	28.9	Very low	28.2	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	73%	0.733	S	S	*	*			trans	82	129.2	173.1	-45.8	-46.2	0	0	0	114.9
1054	D	29.8	Very low	28.2	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	73%	0.732	S	S	*	*				67.7	147.3	52.8	-90.6	-35.6	0	0	0	114.8
1055	P	32.6	Very low	28	Very low	108 Å²	108	140.4 Å²	140.4	70%	0.701	74%	0.737	S	S	*	*			cis	-136.3	158.5	10.8	40.2	-22.7	0	0	0	118.4
1056	C	24.8	Very low	28	Very low	99 Å²	99	140.4 Å²	140.4	67%	0.669	74%	0.741	S	S	*	*			trans	45.2	157.4	133.7	-57	0	0	0	0	125.9
1057	K	28.6	Very low	27.9	Very low	182 Å²	182	142.4 Å²	142.4	79%	0.791	74%	0.743	S	S	*	*			trans	87.6	109.7	150	-77	153.2	-177.2	173.8	0	117.9
1058	Y	26.2	Very low	27.8	Very low	195 Å²	195	145 Å²	145	77%	0.765	74%	0.744	S	S	*	*				79.4	118.9	71.4	-94.8	-88.8	0	0	0	111.5
1059	D	29.7	Very low	27.7	Very low	155 Å²	155	144 Å²	144	83%	0.829	75%	0.747	S	S	*	*				-161.1	166.5	102.4	-121.4	-32.4	0	0	0	113.9
1060	H	26.6	Very low	27.7	Very low	154 Å²	154	145.9 Å²	145.9	71%	0.713	75%	0.754	S	S	*	*			trans	-81.1	158	176.3	-75.1	-88.9	0	0	0	113.1
1061	I	27.1	Very low	27.6	Very low	152 Å²	152	143.1 Å²	143.1	78%	0.779	75%	0.752	S	S	*	*			trans	178.5	104.8	130.1	-94.4	156.6	0	0	0	110.2
1062	I	26.5	Very low	27.8	Very low	138 Å²	138	139.5 Å²	139.5	71%	0.708	75%	0.747	S	S	*	*				90.6	128.8	110.6	-66.6	177.8	0	0	0	115.8
1063	E	25.5	Very low	27.6	Very low	177 Å²	177	142.4 Å²	142.4	83%	0.827	76%	0.757	S	S	*	*			trans	8.4	129	154.4	-50.7	177.2	151	0	0	118.2
1064	S	26.6	Very low	27.9	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	75%	0.753	S	S	*	*				177.6	159.3	58.3	44.3	0	0	0	0	114.3
1065	N	25	Very low	28	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	75%	0.747	S	S	*	*			trans	39.4	99	150.6	-58.7	-21.5	0	0	0	122.5
1066	L	27.6	Very low	27.8	Very low	165 Å²	165	147.2 Å²	147.2	86%	0.864	75%	0.752	S	S	*	*			trans	178.9	139.9	130.1	-115.1	60.5	0	0	0	105.7
1067	L	25.8	Very low	28.2	Very low	142 Å²	142	150.2 Å²	150.2	74%	0.743	76%	0.759	S	S	*	*			cis	73.7	127.8	36.8	-151.5	80.2	0	0	0	114.1
1068	E	26.6	Very low	28.1	Very low	160 Å²	160	146 Å²	146	75%	0.748	75%	0.753	S	S	*	*			trans	63.5	121.8	179.7	-69.9	160.6	175.8	0	0	115.2
1069	S	25.7	Very low	28.4	Very low	110 Å²	110	142 Å²	142	77%	0.769	75%	0.754	S	S	*	*				-157.6	142.6	65	13.3	0	0	0	0	110.6
1070	M	26.3	Very low	28.5	Very low	157 Å²	157	140.2 Å²	140.2	77%	0.773	75%	0.749	S	S	*	*				67.1	137.7	74.6	-61.1	-180	74.3	0	0	114.1
1071	T	27.8	Very low	28.8	Very low	112 Å²	112	140 Å²	140	69%	0.687	75%	0.753	S	S	*	*			cis	-165.1	-162.1	-7.3	18	0	0	0	0	108.2
1072	S	30.1	Very low	28.8	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	76%	0.757	S	S	*	*			trans	78.1	137.3	160.2	71.7	0	0	0	0	118.2
1073	D	32.6	Very low	29	Very low	151 Å²	151	142 Å²	142	81%	0.807	76%	0.761	S	S	*	*			cis	-159.9	170.4	-8.7	-124	-36.6	0	0	0	118.1
1074	E	33.6	Very low	28.9	Very low	134 Å²	134	139 Å²	139	63%	0.626	76%	0.759	S	S	*	*			trans	77.6	124.2	150.6	-76.4	-158.8	156	0	0	125.5
1075	K	32.1	Very low	29	Very low	146 Å²	146	140.2 Å²	140.2	64%	0.635	76%	0.755	S	S	*	*			trans	83.9	103.8	138.7	-71.3	167.7	-175.4	150.4	0	120
1076	Y	28.8	Very low	29.1	Very low	206 Å²	206	138.4 Å²	138.4	81%	0.808	75%	0.75	S	S	*	*				79.7	141.3	74.5	-89	-89.5	0	0	0	110.4
1077	I	33.3	Very low	29.3	Very low	161 Å²	161	137.1 Å²	137.1	83%	0.826	75%	0.749	S	S	*	*			cis	-126.8	148.6	27.4	-67.3	171	0	0	0	112.7
1078	S	27.6	Very low	29.4	Very low	95 Å²	95	134.3 Å²	134.3	66%	0.664	74%	0.741	S	S	*	*			trans	-91.1	148.5	170.1	53.5	0	0	0	0	113
1079	S	32.6	Very low	29.4	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	74%	0.744	S	S	*	*			trans	-142.6	124.6	136.7	-152.3	0	0	0	0	109.8
1080	T	30.7	Very low	29.6	Very low	117 Å²	117	137.5 Å²	137.5	72%	0.718	75%	0.745	S	S	*	*			trans	-67.5	164	148.1	46	0	0	0	0	108.9
1081	D	32.8	Very low	30	Very low	149 Å²	149	137 Å²	137	80%	0.797	75%	0.746	S	S	*	*				-164.3	154.9	118.4	-88.2	-18.6	0	0	0	109.3
1082	D	27.5	Very low	29.9	Very low	163 Å²	163	141.4 Å²	141.4	87%	0.872	76%	0.755	S	S	*	*			trans	-80.4	138.3	-177.2	-65.8	-73.7	0	0	0	111.8
1083	E	30.2	Very low	29.9	Very low	169 Å²	169	142.8 Å²	142.8	79%	0.79	76%	0.759	S	S	*	*			trans	-145.7	112.9	144.4	-141.2	175.2	-144.7	0	0	113.8	I1085	E1083-I1085 HydrophobicContact CG-CG1 4.28Å; E1083-I1085 PolarHBondContact O-N 2.86Å
1084	C	23.7	Very low	29.9	Very low	115 Å²	115	143.9 Å²	143.9	78%	0.777	77%	0.765	S	S	*	*			trans	-93.8	75.8	-178	-172.8	0	0	0	0	111	T1086	C1084-T1086 PolarHBondContact O-N 3.02Å; C1084-T1086 VanDerWaalsContact O-N 3.12Å
1085	I	29	Very low	29.6	Very low	130 Å²	130	144.5 Å²	144.5	67%	0.667	77%	0.771	S	S	*	*			trans	-78.5	100.7	177.8	-61.3	-174	0	0	0	110.7	E1083	E1083-I1085 HydrophobicContact CG-CG1 4.28Å; E1083-I1085 PolarHBondContact O-N 2.86Å
1086	T	26.1	Very low	29.3	Very low	111 Å²	111	146.2 Å²	146.2	68%	0.681	78%	0.779	S	S	*	*			trans	-81.9	113.7	177.2	54.3	0	0	0	0	112.5	C1084	C1084-T1086 PolarHBondContact O-N 3.02Å; C1084-T1086 VanDerWaalsContact O-N 3.12Å
1087	T	33.3	Very low	29.4	Very low	139 Å²	139	146.5 Å²	146.5	85%	0.853	78%	0.784	S	S	*	*			trans	-105.5	96.6	161	54.3	0	0	0	0	110
1088	S	26.5	Very low	29.3	Very low	83 Å²	83	143.8 Å²	143.8	58%	0.58	78%	0.779	S	S	*	*			trans	-103.9	159.4	-178.6	67.9	0	0	0	0	112.6
1089	K	28.4	Very low	29.4	Very low	185 Å²	185	147.4 Å²	147.4	80%	0.804	79%	0.791	S	S	*	*			trans	74.5	108.3	172.2	-45.6	155.9	-172.5	169.9	0	115.5
1090	L	29.9	Very low	29.1	Very low	151 Å²	151	147.6 Å²	147.6	79%	0.791	79%	0.793	S	S	*	*				172.5	93.2	101.3	-89.4	173.9	0	0	0	112.5
1091	N	33.3	Very low	29.2	Very low	147 Å²	147	149 Å²	149	79%	0.786	79%	0.794	S	S	*	*				171.4	122.1	103	-90.9	-42.3	0	0	0	112.3
1092	K	26.7	Very low	29.1	Very low	204 Å²	204	149.3 Å²	149.3	89%	0.887	79%	0.791	S	S	*	*			trans	-104.9	110.3	170.4	-69.8	175.3	178.7	173.8	0	109.1
1093	T	29.1	Very low	29.2	Very low	131 Å²	131	148.7 Å²	148.7	80%	0.804	79%	0.787	S	S	*	*			trans	-164.8	90.1	158.1	13.1	0	0	0	0	112.9
1094	L	33.3	Very low	29.1	Very low	175 Å²	175	146.7 Å²	146.7	92%	0.916	78%	0.778	S	S	*	*				172.7	97.7	126.5	-94.4	160	0	0	0	110.5
1095	L	26	Very low	29.3	Very low	147 Å²	147	149.3 Å²	149.3	77%	0.77	78%	0.776	S	S	*	*			trans	-99.2	164.1	175.6	-120.8	78.3	0	0	0	110.7
1096	K	27	Very low	29.1	Very low	182 Å²	182	153 Å²	153	79%	0.791	78%	0.783	S	S	*	*			trans	63.9	95.4	154.8	-66.2	167.7	175.5	-179.6	0	118.4
1097	K	30.1	Very low	29.1	Very low	211 Å²	211	152.7 Å²	152.7	92%	0.917	79%	0.786	S	S	*	*				-177.9	135.6	124.6	-98.9	164.6	-178.5	-179.6	0	108.7
1098	S	31.8	Very low	29.1	Very low	104 Å²	104	154 Å²	154	73%	0.727	78%	0.784	S	S	*	*			cis	-164.8	125.7	-11.5	42.4	0	0	0	0	110.2
1099	N	28.6	Very low	29.4	Very low	171 Å²	171	155.2 Å²	155.2	91%	0.914	79%	0.79	S	S	*	*			trans	-76.9	139.3	163.8	-75.6	-14.7	0	0	0	109.8
1100	S	27.8	Very low	29.3	Very low	115 Å²	115	152.4 Å²	152.4	80%	0.804	78%	0.784	S	S	*	*			trans	-165.7	169.4	155.2	-162	0	0	0	0	112.1
1101	I	31.7	Very low	29.3	Very low	146 Å²	146	153.9 Å²	153.9	75%	0.749	78%	0.784	S	S	*	*			trans	74.2	70.4	168.6	-43	-172.3	0	0	0	116.3
1102	H	31.3	Very low	29.1	Very low	157 Å²	157	154.7 Å²	154.7	73%	0.727	79%	0.788	S	S	*	*				78.3	113	120.2	-97.2	-77.8	0	0	0	123.1	H1104	H1102-H1104 AromaticContact CE1-CD2 3.86Å; H1102-H1104 AromaticContact ND1-CD2 3.56Å
1103	N	28.4	Very low	29	Very low	149 Å²	149	148.8 Å²	148.8	80%	0.797	77%	0.772	S	S	*	*			trans	-60.8	154.8	139.7	-56.5	-53.9	0	0	0	111.1
1104	H	28.5	Very low	28.9	Very low	128 Å²	128	148.6 Å²	148.6	59%	0.593	77%	0.771	S	S	*	*			trans	-159.5	146.1	134.5	-118.4	-72.5	0	0	0	114.1	H1102	H1102-H1104 AromaticContact CE1-CD2 3.86Å; H1102-H1104 AromaticContact ND1-CD2 3.56Å
1105	F	28.8	Very low	28.6	Very low	170 Å²	170	148 Å²	148	75%	0.746	76%	0.761	S	S	*	*			trans	56.5	107.7	172.4	-56.8	-69.7	0	0	0	117.9
1106	Y	25.3	Very low	28.9	Very low	206 Å²	206	148.1 Å²	148.1	81%	0.808	76%	0.762	S	S	*	*			cis	99.9	146.3	43.3	-92.8	-84	0	0	0	114.2
1107	S	26.1	Very low	29.4	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	75%	0.754	S	S	*	*			trans	60.7	90.2	164.1	-61.7	0	0	0	0	118.6
1108	M	32.4	Very low	30.1	Very low	168 Å²	168	139.6 Å²	139.6	83%	0.828	73%	0.734	S	S	*	*			trans	-62.8	153.6	141	-77.6	-77.9	151.9	0	0	110.3
1109	P	33.3	Very low	31	Very low	108 Å²	108	142.5 Å²	142.5	70%	0.701	73%	0.733	S	S	*	*				-128.5	145.3	127.2	36	-30.2	0	0	0	113.7
1110	N	26.1	Very low	32.3	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	72%	0.716	S	S	*	*			trans	45.3	112.3	157	-69.1	-31.7	0	0	0	120.8
1111	K	29.4	Very low	33.5	Very low	183 Å²	183	141.8 Å²	141.8	80%	0.796	71%	0.712	S	S	*	*	S	Bend		31.3	121.2	116.3	-58.9	171.9	-176.8	172.3	0	116.5
1112	N	28.6	Very low	34.8	Very low	164 Å²	164	139 Å²	139	88%	0.877	70%	0.699	S	S	*	*			trans	93.4	4.1	173.4	-54.2	-3.6	0	0	0	117.5	T1114	N1112-T1114 PolarHBondContact O-N 3.47Å
1113	S	24.8	Very low	36.3	Very low	79 Å²	79	135 Å²	135	55%	0.552	68%	0.682	S	S	*	*			trans	-78.9	108.7	170.3	50.4	0	0	0	0	112.5	F1115	S1113-F1115 PolarHBondContact O-N 3Å; S1113-F1115 VanDerWaalsContact O-N 3.16Å
1114	T	27.4	Very low	37.9	Very low	128 Å²	128	134.4 Å²	134.4	79%	0.785	68%	0.676	S	S	*	*			trans	-74.5	101.8	172.2	-63.7	0	0	0	0	109.6	N1112 I1116	N1112-T1114 PolarHBondContact O-N 3.47Å; T1114-I1116 PolarHBondContact O-N 2.88Å
1115	F	27.3	Very low	39.2	Very low	161 Å²	161	135.7 Å²	135.7	71%	0.706	68%	0.677	S	S	*	*			trans	-70.2	94.2	177	-92.5	-86.9	0	0	0	111.7	S1113 I1117	S1113-F1115 PolarHBondContact O-N 3Å; S1113-F1115 VanDerWaalsContact O-N 3.16Å; F1115-I1117 VanDerWaalsContact C-N 3.26Å; F1115-I1117 PolarHBondContact O-N 3.22Å
1116	I	32.7	Very low	40.9	Very low	151 Å²	151	133 Å²	133	77%	0.774	67%	0.667	S	S	*	*			trans	-69.1	86.2	168.2	-55.7	176.9	0	0	0	108.2	T1114 N1118	T1114-I1116 PolarHBondContact O-N 2.88Å; I1116-N1118 VanDerWaalsContact C-N 3.31Å; I1116-N1118 PolarHBondContact O-N 3.07Å
1117	I	37.1	Very low	42.6	Very low	121 Å²	121	130.1 Å²	130.1	62%	0.621	66%	0.659	S	S	*	*			trans	-66.4	96.2	167.9	-60.5	179.8	0	0	0	107	F1115 K1119 L1122	F1115-I1117 VanDerWaalsContact C-N 3.26Å; F1115-I1117 PolarHBondContact O-N 3.22Å; I1117-K1119 PolarHBondContact O-N 2.9Å; I1117-L1122 HydrophobicContact CG2-CB 4.35Å
1118	N	44.1	Very low	44.3	Very low	93 Å²	93	134.4 Å²	134.4	50%	0.497	66%	0.659	S	S	.	*			trans	-54.1	122.9	-176.9	-173.6	-14.9	0	0	0	110	I1116 D1120 K1121 L1122	I1116-N1118 VanDerWaalsContact C-N 3.31Å; I1116-N1118 PolarHBondContact O-N 3.07Å; N1118-D1120 PolarHBondContact O-N 2.88Å; N1118-D1120 PolarHBondContact OD1-N 3.32Å; N1118-K1121 PolarHBondContact O-N 3.48Å; N1118-L1122 PolarHBondContact O-N 3.48Å
1119	K	51.3	Low	45	Very low	164 Å²	164	129.6 Å²	129.6	71%	0.713	64%	0.637	S	S	*	*	H	α-helix	trans	-50.7	-37.1	-171.4	-79	179.5	176.8	171.8	0	112	I1117 K1121 L1122 I1123	I1117-K1119 PolarHBondContact O-N 2.9Å; K1119-K1121 PolarHBondContact O-N 3.07Å; K1119-L1122 PolarHBondContact O-N 3.04Å; K1119-I1123 HydrophobicContact CB-CD1 4.3Å; K1119-I1123 WeakPolarHBondContact O-CB 3.36Å; K1119-I1123 VanDerWaalsContact O-CG1 3.24Å; K1119-I1123 WeakPolarHBondContact O-CG1 3.21Å; K1119-I1123 PolarHBondContact O-N 3.19Å
1120	D	55.2	Low	45.7	Very low	106 Å²	106	131.7 Å²	131.7	57%	0.567	64%	0.635	S	S	*	*	H	α-helix	trans	-70	-30.3	-176.7	-61	-45.9	0	0	0	113.5	N1118 M1124	N1118-D1120 PolarHBondContact O-N 2.88Å; N1118-D1120 PolarHBondContact OD1-N 3.32Å; D1120-M1124 VanDerWaalsContact O-CB 3.24Å; D1120-M1124 WeakPolarHBondContact O-CB 3.34Å; D1120-M1124 WeakPolarHBondContact O-CG 3.48Å; D1120-M1124 PolarHBondContact O-N 2.98Å
1121	K	53.9	Low	46.6	Very low	166 Å²	166	134.1 Å²	134.1	72%	0.722	64%	0.64	S	S	*	*	H	α-helix	trans	-69.7	-40.6	171.1	-77.2	-172.5	175.7	-179.7	0	111.4	N1118 K1119 M1124 Y1125	N1118-K1121 PolarHBondContact O-N 3.48Å; K1119-K1121 PolarHBondContact O-N 3.07Å; K1121-M1124 PolarHBondContact O-N 2.8Å; K1121-Y1125 WeakPolarHBondContact O-CB 3.41Å; K1121-Y1125 PolarHBondContact O-N 3.15Å
1122	L	58.7	Low	47.2	Very low	88 Å²	88	135.4 Å²	135.4	46%	0.461	64%	0.641	S	S	.	*	H	α-helix	trans	-67	-41.2	175.9	-171.1	65.8	0	0	0	111.5	I1117 N1118 K1119 Y1125 M1126	I1117-L1122 HydrophobicContact CG2-CB 4.35Å; N1118-L1122 PolarHBondContact O-N 3.48Å; K1119-L1122 PolarHBondContact O-N 3.04Å; L1122-Y1125 PolarHBondContact O-N 3.35Å; L1122-M1126 WeakPolarHBondContact O-CB 3.41Å; L1122-M1126 VanDerWaalsContact O-CG 3.28Å; L1122-M1126 WeakPolarHBondContact O-CG 3.13Å; L1122-M1126 PolarHBondContact O-N 3.34Å
1123	I	62.8	Low	47.9	Very low	73 Å²	73	134.1 Å²	134.1	37%	0.374	63%	0.633	S	S	.	*	H	α-helix	trans	-67.1	-38	175.4	-70.5	166	0	0	0	111.1	K1119 K1127	K1119-I1123 HydrophobicContact CB-CD1 4.3Å; K1119-I1123 WeakPolarHBondContact O-CB 3.36Å; K1119-I1123 VanDerWaalsContact O-CG1 3.24Å; K1119-I1123 WeakPolarHBondContact O-CG1 3.21Å; K1119-I1123 PolarHBondContact O-N 3.19Å; I1123-K1127 HydrophobicContact CG2-CD 3.87Å; I1123-K1127 HydrophobicContact CG2-CG 4.35Å; I1123-K1127 VanDerWaalsContact O-CB 3.26Å; I1123-K1127 WeakPolarHBondContact O-CB 3.36Å; I1123-K1127 VanDerWaalsContact O-CG 3.23Å; I1123-K1127 WeakPolarHBondContact O-CG 3.48Å; I1123-K1127 PolarHBondContact O-N 2.75Å
1124	M	62	Low	48.3	Very low	136 Å²	136	142 Å²	142	67%	0.67	66%	0.657	S	S	*	*	H	α-helix	trans	-61.8	-45.6	171.3	-82.9	-111.4	-78.3	0	0	111.9	D1120 K1121 K1127 R1128	D1120-M1124 VanDerWaalsContact O-CB 3.24Å; D1120-M1124 WeakPolarHBondContact O-CB 3.34Å; D1120-M1124 WeakPolarHBondContact O-CG 3.48Å; D1120-M1124 PolarHBondContact O-N 2.98Å; K1121-M1124 PolarHBondContact O-N 2.8Å; M1124-K1127 PolarHBondContact O-N 2.96Å; M1124-R1128 VanDerWaalsContact O-CB 3.29Å; M1124-R1128 WeakPolarHBondContact O-CB 3.33Å; M1124-R1128 PolarHBondContact O-N 3.36Å
1125	Y	55.4	Low	49.4	Very low	155 Å²	155	142.8 Å²	142.8	61%	0.608	65%	0.651	S	S	*	*	H	α-helix	trans	-62.8	-47.7	178.1	-166	-100.2	0	0	0	111.4	K1121 L1122 K1127 R1128 N1129	K1121-Y1125 WeakPolarHBondContact O-CB 3.41Å; K1121-Y1125 PolarHBondContact O-N 3.15Å; L1122-Y1125 PolarHBondContact O-N 3.35Å; Y1125-K1127 PolarHBondContact O-N 2.78Å; Y1125-R1128 PolarHBondContact O-N 3.04Å; Y1125-N1129 WeakPolarHBondContact CE1-ND2 3.49Å; Y1125-N1129 PolarHBondContact O-N 3.16Å
1126	M	64.6	Low	50.6	Low	112 Å²	112	141.8 Å²	141.8	55%	0.552	65%	0.648	S	S	*	*	H	α-helix	trans	-56.8	-48.3	172.9	-73.4	-72.4	-173.3	0	0	112.2	L1122 R1128 N1129 F1130	L1122-M1126 WeakPolarHBondContact O-CB 3.41Å; L1122-M1126 VanDerWaalsContact O-CG 3.28Å; L1122-M1126 WeakPolarHBondContact O-CG 3.13Å; L1122-M1126 PolarHBondContact O-N 3.34Å; M1126-R1128 PolarHBondContact O-N 3.01Å; M1126-N1129 PolarHBondContact O-N 3.16Å; M1126-F1130 WeakPolarHBondContact O-CB 3.41Å; M1126-F1130 PolarHBondContact O-N 3.33Å
1127	K	62.4	Low	51.5	Low	146 Å²	146	141.3 Å²	141.3	64%	0.635	64%	0.641	S	S	*	*	H	α-helix	trans	-64.6	-36.2	178.3	-77.5	173.6	178.8	173.5	0	112.8	I1123 M1124 Y1125 K1131	I1123-K1127 HydrophobicContact CG2-CD 3.87Å; I1123-K1127 HydrophobicContact CG2-CG 4.35Å; I1123-K1127 VanDerWaalsContact O-CB 3.26Å; I1123-K1127 WeakPolarHBondContact O-CB 3.36Å; I1123-K1127 VanDerWaalsContact O-CG 3.23Å; I1123-K1127 WeakPolarHBondContact O-CG 3.48Å; I1123-K1127 PolarHBondContact O-N 2.75Å; M1124-K1127 PolarHBondContact O-N 2.96Å; Y1125-K1127 PolarHBondContact O-N 2.78Å; K1127-K1131 PolarHBondContact O-N 2.9Å
1128	R	60.3	Low	52.4	Low	195 Å²	195	142.5 Å²	142.5	74%	0.736	64%	0.642	S	S	*	*	H	α-helix	trans	-69.8	-39.9	179.5	-163.7	169.4	-174.6	129	-3.1	111.2	M1124 Y1125 M1126 K1131	M1124-R1128 VanDerWaalsContact O-CB 3.29Å; M1124-R1128 WeakPolarHBondContact O-CB 3.33Å; M1124-R1128 PolarHBondContact O-N 3.36Å; Y1125-R1128 PolarHBondContact O-N 3.04Å; M1126-R1128 PolarHBondContact O-N 3.01Å; R1128-K1131 PolarHBondContact O-N 3.13Å
1129	N	46.8	Very low	52.9	Low	67 Å²	67	145.6 Å²	145.6	36%	0.358	65%	0.651	S	S	.	*	H	α-helix	trans	-72.3	-38.1	174.1	-67.6	-18.8	0	0	0	112.3	Y1125 M1126 K1131 Y1132	Y1125-N1129 WeakPolarHBondContact CE1-ND2 3.49Å; Y1125-N1129 PolarHBondContact O-N 3.16Å; M1126-N1129 PolarHBondContact O-N 3.16Å; N1129-K1131 PolarHBondContact O-N 3.3Å; N1129-Y1132 PolarHBondContact O-N 3.41Å
1130	F	48.3	Very low	53	Low	152 Å²	152	144.3 Å²	144.3	67%	0.667	65%	0.647	S	S	*	*	H	α-helix	trans	-63.3	-20.1	172.8	-111.7	-83.3	0	0	0	113.9	M1126 Y1132	M1126-F1130 WeakPolarHBondContact O-CB 3.41Å; M1126-F1130 PolarHBondContact O-N 3.33Å; F1130-Y1132 VanDerWaalsContact C-N 3.31Å
1131	K	46.4	Very low	52.9	Low	176 Å²	176	147.1 Å²	147.1	77%	0.765	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-1.8	173.3	-155.6	-178.1	175.8	-173.7	0	113.5	K1127 R1128 N1129	K1127-K1131 PolarHBondContact O-N 2.9Å; R1128-K1131 PolarHBondContact O-N 3.13Å; N1129-K1131 PolarHBondContact O-N 3.3Å
1132	Y	40.1	Very low	52.8	Low	211 Å²	211	145.6 Å²	145.6	83%	0.827	65%	0.648	S	S	*	*	S	Bend	trans	-106.8	-3.5	172.4	-101.3	-85.7	0	0	0	113.2	N1129 F1130	N1129-Y1132 PolarHBondContact O-N 3.41Å; F1130-Y1132 VanDerWaalsContact C-N 3.31Å
1133	I	43.3	Very low	52.3	Low	136 Å²	136	150.4 Å²	150.4	70%	0.697	66%	0.663	S	S	*	*			trans	-113.9	11.8	-175	-60.8	168.9	0	0	0	110.7
1134	K	35	Very low	51.3	Low	246 Å²	246	157.5 Å²	157.5	100%	1.07	69%	0.69	S	S	*	*			trans	-149.1	0	-175.2	-171.2	-160.9	173.3	-167.2	0	111.9

Retrieved 1,134 of 1,134 residues in 587.4 ms (Link to these results)

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