A0A077Z8S8_TRITR Loading...

Nitrilase protein

AlphaFold DB , UniProt , Accession A0A077Z8S8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,165 aa.

						>A0A077Z8S8_TRITR|A0A077Z8S8
MARYFDVDKFFTDVQNSKIQLESLSERLERLKDSISTFDLENAKENEKKLPFRFRTNKLYEDVPAYGRRFVHDWERRFREDMRKQTNKANRFDSVKHADNQFDSAPVVKARKSQRTEASPTKAAPDEFDNLKQKLRALKAKGMELRQSVMNLTEKEAAANEVSRATRSPALEKSITQGVRKPTERLASIPAVDIDLPVFVREHRTRAKERAPLAPAAKAVGKSEDVLRRIRPLYESRASKNLRSRSAKVADANFYPGSHYDMESLDSAIEKIRKRYFDLMGPDVMYRNIRHSESPARDINNEASANGKVVDASVQASVEEEEEEEHDDNDDEDATPPKSKSSNASSIAANSNLSTSPLPVSPSGRAGEDYATLDFKNSSAGHSPKAEEPIISASSDEQDSKTPTPTPLVLNAPSSSNESVVTVQPSVSEPLSPEEEISKATSSPKESREQRVSKKTARTESEISEIPLEANSATTPSASRSVTKANSGQSQNSWKTEEEIFGRDMVKNSRRIYGAKSDEHNEDNLHRWASIHMKALRAYFEVQIALLHCEKKIGHRKNAEEYAKFIDEQVSDLKQKFERESQSLQGSVVSVVDEQREAQAKRLIKERKALEKDAKIVAMLESKAFKAWSLPAGLWMMSSSLSSSSEATTNGRPMPHVIHKLNAENDALTPLSGRSEYNARIQTLKKELEQRKNVARKLTYEYNQRSKQHLLSHEQSLAKQIEIYEGNIQKTEQMISDLTSAKGREEVHSSPRIITSPRSSAPSARQPDVLIEQPKTQDTHIDVLNLENNVSMSSGPSLSESEANIEDAQSDHERISENAAANLVDVAKAALASSSDTSLANSDRHTIDIGDSSPKPDNSFGKVGIDDIDNAVSKMTIRLLDNVATSCQDTLRQWKASPEARSDMPGVISTFDAISPRLLHSSRLKAAEFPTTPLVPKLELRSLTDEAEKDGVALLNANATPRLDVDSYSNLTPTPLVSSSKEAVKAIVRVSVDCLLKQLATGQSLWKTPKAAELYFVACELSNHRRGNSEQFDHLFRDFIFDLCRDFVANIYGCNEKADCIGEPGCRYALSSQVIKGNDEMVKRLVDLLVLQSIFSSSRHPRIDAVARRSWDDVDNRILSEMYEQDAVFFNPNTVEEEVLNASADVIVSQEIPTVVEECLRLIRP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	51.6	Low	207 Å²	207	141.4 Å²	141.4	100%	1.02	67%	0.674	S	S	*	*				0	-46.8	0	-72	174.3	175.8	0	0	113	R3	M1-R3 PolarHBondContact O-N 3.38Å
2	A	41.2	Very low	52.9	Low	103 Å²	103	135.8 Å²	135.8	85%	0.851	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	56.4	-176.9	0	0	0	0	0	116.6
3	R	41.6	Very low	53.9	Low	226 Å²	226	130.7 Å²	130.7	85%	0.853	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	3.4	170.1	-70.4	-167.5	-175	176.4	3.2	114.1	M1	M1-R3 PolarHBondContact O-N 3.38Å
4	Y	47	Very low	54.9	Low	229 Å²	229	126.1 Å²	126.1	90%	0.898	62%	0.618	S	S	*	*	S	Bend	trans	-134.6	14.4	-174.9	-82.4	-76.7	0	0	0	113.7
5	F	39.1	Very low	55.9	Low	160 Å²	160	124.9 Å²	124.9	70%	0.702	61%	0.61	S	S	*	*			trans	-117.6	105.5	174.1	-127.5	-89.8	0	0	0	108.7	V7 F10	F5-V7 PolarHBondContact O-N 3.41Å; F5-F10 HydrophobicContact CE1-CD2 4.36Å; F5-F10 HydrophobicContact CE1-CG 4.42Å
6	D	55.5	Low	56.5	Low	97 Å²	97	122.2 Å²	122.2	52%	0.519	60%	0.599	S	S	.	*			trans	-79.6	98.8	170.1	-173.6	-23.6	0	0	0	107.8	D8 K9 F10	D6-D8 VanDerWaalsContact C-N 3.31Å; D6-D8 PolarHBondContact OD1-N 3.1Å; D6-K9 HydrophobicContact CB-CB 3.92Å; D6-K9 VanDerWaalsContact CG-CB 3.44Å; D6-K9 PolarHBondContact OD1-N 2.91Å; D6-F10 PolarHBondContact O-N 2.7Å
7	V	54.9	Low	56.8	Low	76 Å²	76	118.4 Å²	118.4	46%	0.461	59%	0.588	S	S	.	*	H	α-helix	trans	-67.5	-35.2	-175.9	174.9	0	0	0	0	110.8	F5 F10 F11	F5-V7 PolarHBondContact O-N 3.41Å; V7-F10 PolarHBondContact O-N 3.41Å; V7-F11 HydrophobicContact CG1-CD2 3.7Å; V7-F11 HydrophobicContact CG1-CE2 3.56Å; V7-F11 VanDerWaalsContact O-CD2 3.24Å; V7-F11 WeakPolarHBondContact O-CD2 3.35Å; V7-F11 PolarHBondContact O-N 3.14Å
8	D	60.1	Low	57.7	Low	118 Å²	118	116.6 Å²	116.6	63%	0.631	58%	0.576	S	S	*	*	H	α-helix	trans	-74	-40.2	-178.3	-59	-39.5	0	0	0	110.7	D6 F11 T12	D6-D8 VanDerWaalsContact C-N 3.31Å; D6-D8 PolarHBondContact OD1-N 3.1Å; D8-F11 PolarHBondContact O-N 3.1Å; D8-T12 WeakPolarHBondContact O-CB 3.33Å; D8-T12 PolarHBondContact O-N 2.98Å; D8-T12 PolarHBondContact O-OG1 3.46Å
9	K	66.2	Low	58.3	Low	108 Å²	108	113.9 Å²	113.9	47%	0.47	56%	0.564	S	S	.	*	H	α-helix	trans	-61.1	-43.6	169.4	-166.8	-167	-178.4	-51.7	0	111.5	D6 F11 T12 D13	D6-K9 HydrophobicContact CB-CB 3.92Å; D6-K9 VanDerWaalsContact CG-CB 3.44Å; D6-K9 PolarHBondContact OD1-N 2.91Å; K9-F11 PolarHBondContact O-N 3.4Å; K9-T12 WeakPolarHBondContact O-CB 3.31Å; K9-T12 PolarHBondContact O-N 3.41Å; K9-T12 VanDerWaalsContact O-N 3.16Å; K9-D13 IonicContact NZ-OD1 2.78Å; K9-D13 PolarHBondContact NZ-OD1 2.84Å; K9-D13 IonicContact NZ-OD2 2.67Å; K9-D13 PolarHBondContact NZ-OD2 3.12Å; K9-D13 PolarHBondContact O-N 2.96Å
10	F	62.4	Low	58.5	Low	109 Å²	109	114.8 Å²	114.8	48%	0.478	57%	0.566	S	S	.	*	H	α-helix	trans	-60.9	-44.5	176.7	178.7	-98.9	0	0	0	112.1	F5 D6 V7 T12 D13 V14	F5-F10 HydrophobicContact CE1-CD2 4.36Å; F5-F10 HydrophobicContact CE1-CG 4.42Å; D6-F10 PolarHBondContact O-N 2.7Å; V7-F10 PolarHBondContact O-N 3.41Å; F10-T12 VanDerWaalsContact C-N 3.3Å; F10-T12 PolarHBondContact O-N 2.85Å; F10-D13 PolarHBondContact O-N 3.3Å; F10-V14 HydrophobicContact CD1-CG2 4.3Å; F10-V14 HydrophobicContact CE1-CG2 3.9Å; F10-V14 HydrophobicContact CE2-CG2 4.17Å; F10-V14 HydrophobicContact CZ-CG2 3.83Å; F10-V14 WeakPolarHBondContact O-CB 3.22Å; F10-V14 VanDerWaalsContact O-CG2 3.28Å; F10-V14 WeakPolarHBondContact O-CG2 3.28Å; F10-V14 PolarHBondContact O-N 2.82Å
11	F	60.4	Low	58.7	Low	122 Å²	122	112 Å²	112	54%	0.535	55%	0.553	S	S	.	*	H	α-helix	trans	-63	-35.5	173.9	-83.7	-62.8	0	0	0	112.8	V7 D8 K9 V14 Q15	V7-F11 HydrophobicContact CG1-CD2 3.7Å; V7-F11 HydrophobicContact CG1-CE2 3.56Å; V7-F11 VanDerWaalsContact O-CD2 3.24Å; V7-F11 WeakPolarHBondContact O-CD2 3.35Å; V7-F11 PolarHBondContact O-N 3.14Å; D8-F11 PolarHBondContact O-N 3.1Å; K9-F11 PolarHBondContact O-N 3.4Å; F11-V14 PolarHBondContact O-N 2.87Å; F11-Q15 WeakPolarHBondContact O-CB 3.29Å; F11-Q15 WeakPolarHBondContact O-CG 3.48Å; F11-Q15 PolarHBondContact O-N 2.9Å
12	T	67.7	Low	60.2	Low	75 Å²	75	106 Å²	106	46%	0.46	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-47.8	176	-53.8	0	0	0	0	111.3	D8 K9 F10 V14 Q15 N16	D8-T12 WeakPolarHBondContact O-CB 3.33Å; D8-T12 PolarHBondContact O-N 2.98Å; D8-T12 PolarHBondContact O-OG1 3.46Å; K9-T12 WeakPolarHBondContact O-CB 3.31Å; K9-T12 PolarHBondContact O-N 3.41Å; K9-T12 VanDerWaalsContact O-N 3.16Å; F10-T12 VanDerWaalsContact C-N 3.3Å; F10-T12 PolarHBondContact O-N 2.85Å; T12-V14 VanDerWaalsContact C-N 3.29Å; T12-V14 PolarHBondContact O-N 3.35Å; T12-Q15 PolarHBondContact O-N 2.97Å; T12-N16 WeakPolarHBondContact O-CB 3.33Å; T12-N16 VanDerWaalsContact O-CG 3.29Å; T12-N16 PolarHBondContact O-N 3.5Å; T12-N16 PolarHBondContact O-ND2 3.1Å
13	D	65.8	Low	61.2	Low	69 Å²	69	104 Å²	104	37%	0.369	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-36.7	176.5	-65.4	-24.4	0	0	0	111.3	K9 F10 S17	K9-D13 IonicContact NZ-OD1 2.78Å; K9-D13 PolarHBondContact NZ-OD1 2.84Å; K9-D13 IonicContact NZ-OD2 2.67Å; K9-D13 PolarHBondContact NZ-OD2 3.12Å; K9-D13 PolarHBondContact O-N 2.96Å; F10-D13 PolarHBondContact O-N 3.3Å; D13-S17 WeakPolarHBondContact O-CB 3.42Å; D13-S17 PolarHBondContact O-N 3.37Å; D13-S17 PolarHBondContact O-OG 3.04Å
14	V	68	Low	61.8	Low	66 Å²	66	97.6 Å²	97.6	40%	0.4	48%	0.484	S	S	.	.	H	α-helix	trans	-69.8	-41.6	174.8	168.7	0	0	0	0	112.4	F10 F11 T12 S17 K18	F10-V14 HydrophobicContact CD1-CG2 4.3Å; F10-V14 HydrophobicContact CE1-CG2 3.9Å; F10-V14 HydrophobicContact CE2-CG2 4.17Å; F10-V14 HydrophobicContact CZ-CG2 3.83Å; F10-V14 WeakPolarHBondContact O-CB 3.22Å; F10-V14 VanDerWaalsContact O-CG2 3.28Å; F10-V14 WeakPolarHBondContact O-CG2 3.28Å; F10-V14 PolarHBondContact O-N 2.82Å; F11-V14 PolarHBondContact O-N 2.87Å; T12-V14 VanDerWaalsContact C-N 3.29Å; T12-V14 PolarHBondContact O-N 3.35Å; V14-S17 PolarHBondContact O-N 3.1Å; V14-K18 WeakPolarHBondContact O-CB 3.5Å; V14-K18 PolarHBondContact O-N 2.81Å
15	Q	68.9	Low	62.4	Low	108 Å²	108	88 Å²	88	51%	0.505	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-46.4	174.2	-79	-76.9	12.5	0	0	111.3	F11 T12 S17 K18 I19	F11-Q15 WeakPolarHBondContact O-CB 3.29Å; F11-Q15 WeakPolarHBondContact O-CG 3.48Å; F11-Q15 PolarHBondContact O-N 2.9Å; T12-Q15 PolarHBondContact O-N 2.97Å; Q15-S17 VanDerWaalsContact C-N 3.33Å; Q15-S17 PolarHBondContact O-N 2.9Å; Q15-K18 WeakPolarHBondContact O-CB 3.28Å; Q15-K18 PolarHBondContact O-N 3.2Å; Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.37Å
16	N	66.2	Low	63.5	Low	82 Å²	82	83.2 Å²	83.2	44%	0.439	43%	0.431	S	S	.	.	H	α-helix	trans	-60.2	-43.9	176.2	-70.4	-23.2	0	0	0	111.5	T12 K18 I19 Q20	T12-N16 WeakPolarHBondContact O-CB 3.33Å; T12-N16 VanDerWaalsContact O-CG 3.29Å; T12-N16 PolarHBondContact O-N 3.5Å; T12-N16 PolarHBondContact O-ND2 3.1Å; N16-K18 VanDerWaalsContact C-N 3.34Å; N16-K18 PolarHBondContact O-N 3.08Å; N16-I19 PolarHBondContact O-N 3.07Å; N16-Q20 WeakPolarHBondContact O-CG 3.26Å; N16-Q20 PolarHBondContact O-N 3.44Å
17	S	62.2	Low	63.4	Low	58 Å²	58	81.5 Å²	81.5	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-38.9	175.3	-59.1	0	0	0	0	112.6	D13 V14 Q15 L21	D13-S17 WeakPolarHBondContact O-CB 3.42Å; D13-S17 PolarHBondContact O-N 3.37Å; D13-S17 PolarHBondContact O-OG 3.04Å; V14-S17 PolarHBondContact O-N 3.1Å; Q15-S17 VanDerWaalsContact C-N 3.33Å; Q15-S17 PolarHBondContact O-N 2.9Å; S17-L21 WeakPolarHBondContact O-CB 3.31Å; S17-L21 WeakPolarHBondContact O-CG 3.41Å; S17-L21 PolarHBondContact O-N 3.01Å
18	K	73.1	Confident	63.2	Low	85 Å²	85	81.6 Å²	81.6	37%	0.37	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-49.3	175.8	-177.5	-167.7	166.1	-163.9	0	110.9	V14 Q15 N16 Q20 L21 E22	V14-K18 WeakPolarHBondContact O-CB 3.5Å; V14-K18 PolarHBondContact O-N 2.81Å; Q15-K18 WeakPolarHBondContact O-CB 3.28Å; Q15-K18 PolarHBondContact O-N 3.2Å; N16-K18 VanDerWaalsContact C-N 3.34Å; N16-K18 PolarHBondContact O-N 3.08Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-Q20 PolarHBondContact O-N 3.41Å; K18-L21 PolarHBondContact O-N 3.01Å; K18-L21 VanDerWaalsContact O-N 3.14Å; K18-E22 WeakPolarHBondContact CE-OE1 3.32Å; K18-E22 VanDerWaalsContact CE-OE2 3.25Å; K18-E22 WeakPolarHBondContact CE-OE2 3.11Å; K18-E22 HydrophobicContact CG-CG 4.49Å; K18-E22 IonicContact NZ-OE1 3.17Å; K18-E22 IonicContact NZ-OE2 3.4Å; K18-E22 WeakPolarHBondContact O-CG 3.47Å; K18-E22 PolarHBondContact O-N 2.84Å
19	I	67.4	Low	63.1	Low	67 Å²	67	80.9 Å²	80.9	34%	0.344	41%	0.407	S	S	.	.	H	α-helix	trans	-59.4	-41.4	179.9	-67.5	163.4	0	0	0	111.1	Q15 N16 S23	Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.37Å; N16-I19 PolarHBondContact O-N 3.07Å; I19-S23 WeakPolarHBondContact O-CB 3.4Å; I19-S23 PolarHBondContact O-N 3.16Å
20	Q	63.7	Low	62.5	Low	131 Å²	131	76.7 Å²	76.7	61%	0.612	39%	0.389	S	S	*	.	H	α-helix	trans	-65	-41.8	175.3	-71.5	176.9	-2.4	0	0	112.7	N16 K18 L24	N16-Q20 WeakPolarHBondContact O-CG 3.26Å; N16-Q20 PolarHBondContact O-N 3.44Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-Q20 PolarHBondContact O-N 3.41Å; Q20-L24 WeakPolarHBondContact O-CB 3.49Å; Q20-L24 PolarHBondContact O-N 3.15Å
21	L	63	Low	61.7	Low	56 Å²	56	74.9 Å²	74.9	29%	0.293	38%	0.384	S	S	.	.	H	α-helix	trans	-69.4	-34.7	177.9	-73.7	169.1	0	0	0	112.9	S17 K18 S25 L688	S17-L21 WeakPolarHBondContact O-CB 3.31Å; S17-L21 WeakPolarHBondContact O-CG 3.41Å; S17-L21 PolarHBondContact O-N 3.01Å; K18-L21 PolarHBondContact O-N 3.01Å; K18-L21 VanDerWaalsContact O-N 3.14Å; L21-S25 WeakPolarHBondContact O-CB 3.39Å; L21-S25 PolarHBondContact O-N 3.35Å; L21-L688 HydrophobicContact CB-CD1 4.46Å; L21-L688 HydrophobicContact CD2-CD1 3.9Å; L21-L688 HydrophobicContact CD2-CG 4.31Å
22	E	69.8	Low	61	Low	82 Å²	82	75 Å²	75	38%	0.383	38%	0.384	S	S	.	.	H	α-helix	trans	-68.5	-44.5	174.7	-73.7	173.6	158.4	0	0	110.7	K18 L24 S25 E26	K18-E22 WeakPolarHBondContact CE-OE1 3.32Å; K18-E22 VanDerWaalsContact CE-OE2 3.25Å; K18-E22 WeakPolarHBondContact CE-OE2 3.11Å; K18-E22 HydrophobicContact CG-CG 4.49Å; K18-E22 IonicContact NZ-OE1 3.17Å; K18-E22 IonicContact NZ-OE2 3.4Å; K18-E22 WeakPolarHBondContact O-CG 3.47Å; K18-E22 PolarHBondContact O-N 2.84Å; E22-L24 PolarHBondContact O-N 3.35Å; E22-S25 WeakPolarHBondContact O-CB 3.07Å; E22-S25 PolarHBondContact O-N 3.23Å; E22-E26 PolarHBondContact O-N 3.39Å
23	S	61.3	Low	60.1	Low	61 Å²	61	73.9 Å²	73.9	43%	0.427	38%	0.375	S	S	.	.	H	α-helix	trans	-59.3	-42.9	172.8	-176.3	0	0	0	0	113.1	I19 E26 R27	I19-S23 WeakPolarHBondContact O-CB 3.4Å; I19-S23 PolarHBondContact O-N 3.16Å; S23-E26 PolarHBondContact O-N 3.29Å; S23-R27 VanDerWaalsContact O-CG 3.29Å; S23-R27 WeakPolarHBondContact O-CG 3.47Å; S23-R27 PolarHBondContact O-N 3.48Å; S23-R27 VanDerWaalsContact O-N 3.07Å
24	L	54.7	Low	59.1	Low	90 Å²	90	73.1 Å²	73.1	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-66.9	-36.7	174.9	-85.5	167.6	0	0	0	113.2	Q20 E22 L28	Q20-L24 WeakPolarHBondContact O-CB 3.49Å; Q20-L24 PolarHBondContact O-N 3.15Å; E22-L24 PolarHBondContact O-N 3.35Å; L24-L28 WeakPolarHBondContact O-CB 3.25Å; L24-L28 PolarHBondContact O-N 3.38Å
25	S	59	Low	57.7	Low	28 Å²	28	75.9 Å²	75.9	20%	0.196	39%	0.386	C	S	.	.	H	α-helix	trans	-60	-50.5	174.5	-171.8	0	0	0	0	110.4	L21 E22 L28 E29 K692	L21-S25 WeakPolarHBondContact O-CB 3.39Å; L21-S25 PolarHBondContact O-N 3.35Å; E22-S25 WeakPolarHBondContact O-CB 3.07Å; E22-S25 PolarHBondContact O-N 3.23Å; S25-L28 PolarHBondContact O-N 3.08Å; S25-E29 PolarHBondContact O-N 2.85Å; S25-K692 PolarHBondContact OG-NZ 3.16Å
26	E	63.4	Low	56.3	Low	60 Å²	60	74.1 Å²	74.1	28%	0.28	39%	0.386	S	S	.	.	H	α-helix	trans	-59.9	-52.8	-179.7	-114.7	-161.1	112.6	0	0	111.9	E22 S23 L28 E29 R30 N1133	E22-E26 PolarHBondContact O-N 3.39Å; S23-E26 PolarHBondContact O-N 3.29Å; E26-L28 PolarHBondContact O-N 3.2Å; E26-L28 VanDerWaalsContact O-N 3.09Å; E26-E29 WeakPolarHBondContact O-CB 3.37Å; E26-E29 PolarHBondContact O-N 2.75Å; E26-E29 VanDerWaalsContact O-N 3.11Å; E26-R30 VanDerWaalsContact O-CD 3.28Å; E26-R30 WeakPolarHBondContact O-CD 3.35Å; E26-R30 WeakPolarHBondContact O-CG 3.44Å; E26-R30 PolarHBondContact O-N 3.1Å; E26-R30 PolarHBondContact O-NE 2.72Å; E26-R30 IonicContact OE1-CZ 2.65Å; E26-R30 IonicContact OE1-NE 2.7Å; E26-R30 PolarHBondContact OE1-NE 3.3Å; E26-R30 IonicContact OE1-NH2 3.96Å; E26-R30 PolarHBondContact OE1-NH2 3.1Å; E26-R30 IonicContact OE2-NH2 3.7Å; E26-R30 PolarHBondContact OE2-NH2 2.92Å; E26-R30 VanDerWaalsContact OE2-NH2 3.08Å; E26-N1133 WeakPolarHBondContact OE1-CB 3.35Å; E26-N1133 PolarHBondContact OE1-ND2 2.94Å; E26-N1133 VanDerWaalsContact OE1-ND2 3.1Å
27	R	52.2	Low	55	Low	61 Å²	61	75.5 Å²	75.5	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-48.2	-42.5	178.3	-75.8	171.3	58.5	161.8	4.7	112.9	S23 L31 E1124 A1127 V1128	S23-R27 VanDerWaalsContact O-CG 3.29Å; S23-R27 WeakPolarHBondContact O-CG 3.47Å; S23-R27 PolarHBondContact O-N 3.48Å; S23-R27 VanDerWaalsContact O-N 3.07Å; R27-L31 WeakPolarHBondContact O-CB 3.29Å; R27-L31 PolarHBondContact O-N 3.33Å; R27-E1124 PolarHBondContact NH2-O 3.09Å; R27-A1127 VanDerWaalsContact CZ-O 3.3Å; R27-A1127 PolarHBondContact NE-O 2.86Å; R27-A1127 PolarHBondContact NH2-O 3.43Å; R27-V1128 HydrophobicContact CG-CG2 4.22Å; R27-V1128 VanDerWaalsContact NE-CG2 3.29Å
28	L	51.1	Low	53.6	Low	78 Å²	78	79.1 Å²	79.1	41%	0.408	41%	0.406	S	S	.	.	H	α-helix	trans	-77.5	-26.8	-171.6	-151.1	164.7	0	0	0	112.2	L24 S25 E26 K32 K685	L24-L28 WeakPolarHBondContact O-CB 3.25Å; L24-L28 PolarHBondContact O-N 3.38Å; S25-L28 PolarHBondContact O-N 3.08Å; E26-L28 PolarHBondContact O-N 3.2Å; E26-L28 VanDerWaalsContact O-N 3.09Å; L28-K32 PolarHBondContact O-N 3.33Å; L28-K685 VanDerWaalsContact CD2-NZ 3.28Å
29	E	58.9	Low	51.7	Low	103 Å²	103	80.7 Å²	80.7	48%	0.481	42%	0.419	S	S	.	.	H	α-helix	trans	-71.5	-52.5	175.1	-160.6	130.3	-121.3	0	0	110.5	S25 E26 L31 K32 D33	S25-E29 PolarHBondContact O-N 2.85Å; E26-E29 WeakPolarHBondContact O-CB 3.37Å; E26-E29 PolarHBondContact O-N 2.75Å; E26-E29 VanDerWaalsContact O-N 3.11Å; E29-L31 PolarHBondContact O-N 2.84Å; E29-K32 WeakPolarHBondContact O-CA 3.4Å; E29-K32 VanDerWaalsContact O-CB 3.27Å; E29-K32 WeakPolarHBondContact O-CB 3.43Å; E29-K32 PolarHBondContact O-N 2.76Å; E29-D33 PolarHBondContact O-N 2.9Å
30	R	53.6	Low	50.4	Low	20 Å²	20	84.1 Å²	84.1	8%	0.075	44%	0.437	C	S	.	.	H	α-helix	trans	-62	-30.9	-179.9	-45.2	152.9	-176.7	-176.4	-1.2	112.6	E26 D33 S34 F1130 N1131 P1132	E26-R30 VanDerWaalsContact O-CD 3.28Å; E26-R30 WeakPolarHBondContact O-CD 3.35Å; E26-R30 WeakPolarHBondContact O-CG 3.44Å; E26-R30 PolarHBondContact O-N 3.1Å; E26-R30 PolarHBondContact O-NE 2.72Å; E26-R30 IonicContact OE1-CZ 2.65Å; E26-R30 IonicContact OE1-NE 2.7Å; E26-R30 PolarHBondContact OE1-NE 3.3Å; E26-R30 IonicContact OE1-NH2 3.96Å; E26-R30 PolarHBondContact OE1-NH2 3.1Å; E26-R30 IonicContact OE2-NH2 3.7Å; E26-R30 PolarHBondContact OE2-NH2 2.92Å; E26-R30 VanDerWaalsContact OE2-NH2 3.08Å; R30-D33 PolarHBondContact O-N 3.41Å; R30-S34 WeakPolarHBondContact O-CB 3.34Å; R30-S34 PolarHBondContact O-N 2.98Å; R30-F1130 HydrophobicContact CB-CB 4.49Å; R30-F1130 WeakPolarHBondContact CD-O 3.19Å; R30-F1130 PolarHBondContact NH1-O 3.26Å; R30-N1131 WeakPolarHBondContact CD-OD1 3.44Å; R30-N1131 PolarHBondContact NE-OD1 3.5Å; R30-N1131 PolarHBondContact NH2-ND2 3.46Å; R30-N1131 PolarHBondContact NH2-OD1 2.83Å; R30-P1132 HydrophobicContact CB-CG 3.75Å; R30-P1132 HydrophobicContact CG-CG 3.63Å
31	L	44.4	Very low	49.2	Very low	71 Å²	71	86.1 Å²	86.1	37%	0.372	45%	0.446	S	S	.	.	H	α-helix	trans	-69.8	-30.3	173.9	-126.9	171.1	0	0	0	112.5	R27 E29 I35 A1127	R27-L31 WeakPolarHBondContact O-CB 3.29Å; R27-L31 PolarHBondContact O-N 3.33Å; E29-L31 PolarHBondContact O-N 2.84Å; L31-I35 HydrophobicContact CD2-CD1 4.19Å; L31-I35 VanDerWaalsContact O-CD1 3.27Å; L31-I35 WeakPolarHBondContact O-CD1 3.19Å; L31-I35 VanDerWaalsContact O-CG1 3.27Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-A1127 HydrophobicContact CD1-CB 3.63Å
32	K	46.9	Very low	48.1	Very low	124 Å²	124	89.2 Å²	89.2	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-71	-42.7	170.4	153.8	-171.6	158.2	-77.5	0	109.9	L28 E29 I35 S36	L28-K32 PolarHBondContact O-N 3.33Å; E29-K32 WeakPolarHBondContact O-CA 3.4Å; E29-K32 VanDerWaalsContact O-CB 3.27Å; E29-K32 WeakPolarHBondContact O-CB 3.43Å; E29-K32 PolarHBondContact O-N 2.76Å; K32-I35 CarbonylContact O-C 3.6Å; K32-I35 WeakPolarHBondContact O-CA 3.26Å; K32-I35 WeakPolarHBondContact O-CB 3.48Å; K32-I35 PolarHBondContact O-N 3.5Å; K32-S36 PolarHBondContact O-N 2.92Å
33	D	48.2	Very low	46.6	Very low	51 Å²	51	88.8 Å²	88.8	27%	0.273	47%	0.473	S	S	.	.	H	α-helix	trans	-75.3	-34.9	-173.9	-55.5	-37.6	0	0	0	112.1	E29 R30 I35 S36 T37	E29-D33 PolarHBondContact O-N 2.9Å; R30-D33 PolarHBondContact O-N 3.41Å; D33-I35 PolarHBondContact O-N 3.03Å; D33-I35 VanDerWaalsContact O-N 3.08Å; D33-S36 WeakPolarHBondContact CA-OG 3.42Å; D33-S36 PolarHBondContact O-N 3Å; D33-S36 VanDerWaalsContact O-N 3.12Å; D33-S36 PolarHBondContact O-OG 3.36Å; D33-T37 WeakPolarHBondContact O-CG2 3.48Å; D33-T37 PolarHBondContact O-N 3.11Å; D33-T37 PolarHBondContact O-OG1 2.95Å; D33-T37 VanDerWaalsContact O-OG1 3.14Å
34	S	44.3	Very low	45.7	Very low	53 Å²	53	94.3 Å²	94.3	37%	0.371	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-12.4	165.8	-179.9	0	0	0	0	114.3	R30	R30-S34 WeakPolarHBondContact O-CB 3.34Å; R30-S34 PolarHBondContact O-N 2.98Å
35	I	39.6	Very low	45.1	Very low	125 Å²	125	98.7 Å²	98.7	64%	0.641	51%	0.508	S	S	*	.	H	α-helix	trans	-103	-27.4	175.5	-68.3	171.9	0	0	0	111	L31 K32 D33	L31-I35 HydrophobicContact CD2-CD1 4.19Å; L31-I35 VanDerWaalsContact O-CD1 3.27Å; L31-I35 WeakPolarHBondContact O-CD1 3.19Å; L31-I35 VanDerWaalsContact O-CG1 3.27Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; K32-I35 CarbonylContact O-C 3.6Å; K32-I35 WeakPolarHBondContact O-CA 3.26Å; K32-I35 WeakPolarHBondContact O-CB 3.48Å; K32-I35 PolarHBondContact O-N 3.5Å; D33-I35 PolarHBondContact O-N 3.03Å; D33-I35 VanDerWaalsContact O-N 3.08Å
36	S	39.4	Very low	43.9	Very low	71 Å²	71	103.4 Å²	103.4	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-85.5	-25.6	177.6	62.4	0	0	0	0	114.5	K32 D33 F38	K32-S36 PolarHBondContact O-N 2.92Å; D33-S36 WeakPolarHBondContact CA-OG 3.42Å; D33-S36 PolarHBondContact O-N 3Å; D33-S36 VanDerWaalsContact O-N 3.12Å; D33-S36 PolarHBondContact O-OG 3.36Å; S36-F38 PolarHBondContact O-N 2.82Å
37	T	38.1	Very low	42.7	Very low	110 Å²	110	109 Å²	109	68%	0.675	56%	0.557	S	S	*	*	S	Bend	trans	-74.5	27.3	179.2	55.7	0	0	0	0	114.3	D33	D33-T37 WeakPolarHBondContact O-CG2 3.48Å; D33-T37 PolarHBondContact O-N 3.11Å; D33-T37 PolarHBondContact O-OG1 2.95Å; D33-T37 VanDerWaalsContact O-OG1 3.14Å
38	F	32.4	Very low	41.9	Very low	134 Å²	134	115 Å²	115	59%	0.588	59%	0.585	S	S	*	*			trans	-118.8	71.3	178.5	-151.4	-78.8	0	0	0	110.4	S36 L40	S36-F38 PolarHBondContact O-N 2.82Å; F38-L40 WeakPolarHBondContact O-CD1 3.35Å; F38-L40 PolarHBondContact O-N 2.91Å
39	D	34.5	Very low	41.1	Very low	119 Å²	119	120.3 Å²	120.3	64%	0.636	60%	0.604	S	S	*	*			trans	-62.1	107	175.2	-71.1	-47.7	0	0	0	110.8	E41	D39-E41 PolarHBondContact O-N 2.83Å; D39-E41 VanDerWaalsContact O-N 3.11Å
40	L	38.8	Very low	40	Very low	139 Å²	139	122.9 Å²	122.9	73%	0.728	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-63.4	-16.9	-177.4	-83.9	93.8	0	0	0	113.6	F38	F38-L40 WeakPolarHBondContact O-CD1 3.35Å; F38-L40 PolarHBondContact O-N 2.91Å
41	E	39.8	Very low	39.1	Very low	173 Å²	173	127.9 Å²	127.9	81%	0.808	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-74.4	-36.2	-172.9	-56	-159.8	125.7	0	0	112.5	D39 A43	D39-E41 PolarHBondContact O-N 2.83Å; D39-E41 VanDerWaalsContact O-N 3.11Å; E41-A43 PolarHBondContact O-N 2.93Å
42	N	39.8	Very low	38.6	Very low	121 Å²	121	131.2 Å²	131.2	65%	0.647	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-74.6	-5.8	179.3	-73.4	-47.4	0	0	0	114.2	K44	N42-K44 VanDerWaalsContact C-N 3.3Å; N42-K44 PolarHBondContact O-N 3.5Å
43	A	38.7	Very low	38.3	Very low	72 Å²	72	134 Å²	134	60%	0.595	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-75.9	-12.2	-177.8	0	0	0	0	0	114.3	E41	E41-A43 PolarHBondContact O-N 2.93Å
44	K	42.6	Very low	38	Very low	178 Å²	178	134.9 Å²	134.9	77%	0.774	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-86.1	-20	-171.4	-74	-178.8	176.6	176.4	0	115.7	N42	N42-K44 VanDerWaalsContact C-N 3.3Å; N42-K44 PolarHBondContact O-N 3.5Å
45	E	40.7	Very low	37.8	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	68%	0.684	S	S	*	*	S	Bend	trans	-102.7	-15.7	-176.4	-62.6	-163.8	133.6	0	0	114.6	E47	E45-E47 PolarHBondContact O-N 3.21Å
46	N	34.4	Very low	38	Very low	126 Å²	126	138.5 Å²	138.5	67%	0.674	69%	0.686	S	S	*	*			trans	-101.2	45.8	-168.4	-84.3	-65.3	0	0	0	115.2	K48	N46-K48 PolarHBondContact O-N 3.03Å
47	E	37.4	Very low	38.1	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-15	-176.5	-77.6	-158	130.1	0	0	116.5	E45	E45-E47 PolarHBondContact O-N 3.21Å
48	K	37	Very low	38.5	Very low	189 Å²	189	141.2 Å²	141.2	82%	0.822	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	-9	-159	-71.3	174.6	-177.5	166.6	0	117.6	N46	N46-K48 PolarHBondContact O-N 3.03Å
49	K	34	Very low	39.1	Very low	189 Å²	189	140.4 Å²	140.4	82%	0.822	68%	0.684	S	S	*	*			trans	-146.1	88.8	179.9	-68.6	-175	-176.9	173.2	0	114.2	P51	K49-P51 WeakPolarHBondContact O-CD 3.37Å
50	L	34.9	Very low	39.6	Very low	156 Å²	156	137.5 Å²	137.5	82%	0.817	67%	0.665	S	S	*	*			trans	-70	123.1	163.6	-81.7	164	0	0	0	110.2	F52	L50-F52 VanDerWaalsContact C-N 3.33Å; L50-F52 PolarHBondContact O-N 3.36Å
51	P	35	Very low	40.1	Very low	126 Å²	126	137.7 Å²	137.7	82%	0.818	66%	0.662	S	S	*	*	S	Bend	trans	-67.3	-23	-171.3	-25.6	36	0	0	0	116.2	K49	K49-P51 WeakPolarHBondContact O-CD 3.37Å
52	F	35.1	Very low	40.5	Very low	140 Å²	140	135.2 Å²	135.2	61%	0.614	65%	0.654	S	S	*	*			trans	-99	104.3	-176.8	-101.9	-104.9	0	0	0	113	L50 F54	L50-F52 VanDerWaalsContact C-N 3.33Å; L50-F52 PolarHBondContact O-N 3.36Å; F52-F54 HydrophobicContact CD1-CD2 4.17Å; F52-F54 HydrophobicContact CD1-CE1 4.32Å; F52-F54 AromaticContact CD1-CE2 3.75Å; F52-F54 HydrophobicContact CD1-CE2 3.75Å; F52-F54 AromaticContact CD1-CZ 3.84Å; F52-F54 HydrophobicContact CD1-CZ 3.84Å; F52-F54 HydrophobicContact CE1-CE1 4.33Å; F52-F54 HydrophobicContact CE1-CE2 4.46Å; F52-F54 HydrophobicContact CE1-CZ 4.08Å
53	R	39.5	Very low	40.7	Very low	182 Å²	182	131.4 Å²	131.4	69%	0.687	64%	0.635	S	S	*	*			trans	-105.3	97	155.3	-82.7	-174.9	170	-170.2	-0.8	109	R55 T56	R53-R55 PolarHBondContact O-N 2.88Å; R53-T56 WeakPolarHBondContact CB-OG1 3.41Å; R53-T56 PolarHBondContact O-N 3.4Å; R53-T56 VanDerWaalsContact O-N 3.08Å; R53-T56 PolarHBondContact O-OG1 2.92Å; R53-T56 VanDerWaalsContact O-OG1 3.05Å
54	F	43.2	Very low	41	Very low	70 Å²	70	131 Å²	131	31%	0.307	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-51.8	-32.3	173	-81.6	-84.6	0	0	0	112.7	F52 T56 N57 Y60 V71	F52-F54 HydrophobicContact CD1-CD2 4.17Å; F52-F54 HydrophobicContact CD1-CE1 4.32Å; F52-F54 AromaticContact CD1-CE2 3.75Å; F52-F54 HydrophobicContact CD1-CE2 3.75Å; F52-F54 AromaticContact CD1-CZ 3.84Å; F52-F54 HydrophobicContact CD1-CZ 3.84Å; F52-F54 HydrophobicContact CE1-CE1 4.33Å; F52-F54 HydrophobicContact CE1-CE2 4.46Å; F52-F54 HydrophobicContact CE1-CZ 4.08Å; F54-T56 PolarHBondContact O-N 2.78Å; F54-T56 VanDerWaalsContact O-N 3.1Å; F54-N57 PolarHBondContact O-N 2.95Å; F54-Y60 HydrophobicContact CB-CD2 4.4Å; F54-Y60 VanDerWaalsContact O-CB 3.23Å; F54-Y60 WeakPolarHBondContact O-CB 3.47Å; F54-V71 HydrophobicContact CD1-CG1 4.37Å; F54-V71 HydrophobicContact CG-CG1 4.36Å
55	R	40.1	Very low	41.3	Very low	143 Å²	143	126.1 Å²	126.1	54%	0.54	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-65.8	-6.3	-179.8	-54.3	178.5	-168.3	-153.1	-7.1	115.4	R53 H72 E75	R53-R55 PolarHBondContact O-N 2.88Å; R55-H72 PolarHBondContact NH2-CD2 3.33Å; R55-H72 VanDerWaalsContact NH2-CD2 3.27Å; R55-H72 PolarHBondContact NH2-NE2 2.66Å; R55-E75 IonicContact NE-OE2 3.64Å; R55-E75 IonicContact NH2-OE2 2.8Å; R55-E75 PolarHBondContact NH2-OE2 3.35Å
56	T	42.4	Very low	41.4	Very low	112 Å²	112	125.2 Å²	125.2	69%	0.687	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-124	9.7	179.8	50.9	0	0	0	0	113.3	R53 F54	R53-T56 WeakPolarHBondContact CB-OG1 3.41Å; R53-T56 PolarHBondContact O-N 3.4Å; R53-T56 VanDerWaalsContact O-N 3.08Å; R53-T56 PolarHBondContact O-OG1 2.92Å; R53-T56 VanDerWaalsContact O-OG1 3.05Å; F54-T56 PolarHBondContact O-N 2.78Å; F54-T56 VanDerWaalsContact O-N 3.1Å
57	N	42.4	Very low	41.8	Very low	69 Å²	69	119.9 Å²	119.9	37%	0.369	58%	0.584	S	S	.	*			trans	-96.5	133.4	175.4	-171.4	-17.7	0	0	0	109.7	F54 L59 Y60	F54-N57 PolarHBondContact O-N 2.95Å; N57-L59 PolarHBondContact O-N 3.37Å; N57-L59 PolarHBondContact OD1-N 3.35Å; N57-Y60 VanDerWaalsContact O-CB 3.26Å; N57-Y60 WeakPolarHBondContact O-CB 3.39Å; N57-Y60 PolarHBondContact O-N 3.5Å
58	K	46.6	Very low	42.6	Very low	169 Å²	169	115.1 Å²	115.1	74%	0.735	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-33.8	177.6	-72.7	-173.3	174.2	-175.8	0	112.7	Y60 E61	K58-Y60 PolarHBondContact O-N 3.13Å; K58-E61 VanDerWaalsContact O-CB 3.3Å; K58-E61 WeakPolarHBondContact O-CB 3.17Å; K58-E61 PolarHBondContact O-N 3.13Å
59	L	45.2	Very low	43.7	Very low	116 Å²	116	112.2 Å²	112.2	61%	0.607	54%	0.543	S	S	*	.	H	α-helix	trans	-58.9	-20.9	175.6	-64.5	170.2	0	0	0	113.3	N57 E61 V63	N57-L59 PolarHBondContact O-N 3.37Å; N57-L59 PolarHBondContact OD1-N 3.35Å; L59-E61 VanDerWaalsContact C-N 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.33Å; L59-V63 PolarHBondContact O-N 3.02Å
60	Y	44.5	Very low	44.7	Very low	58 Å²	58	109.1 Å²	109.1	23%	0.227	53%	0.529	C	S	.	.	H	α-helix	trans	-76.9	-15	173.9	-172.1	-96.3	0	0	0	113	F54 N57 K58 R68 V71	F54-Y60 HydrophobicContact CB-CD2 4.4Å; F54-Y60 VanDerWaalsContact O-CB 3.23Å; F54-Y60 WeakPolarHBondContact O-CB 3.47Å; N57-Y60 VanDerWaalsContact O-CB 3.26Å; N57-Y60 WeakPolarHBondContact O-CB 3.39Å; N57-Y60 PolarHBondContact O-N 3.5Å; K58-Y60 PolarHBondContact O-N 3.13Å; Y60-R68 HydrophobicContact CD2-CG 4.36Å; Y60-R68 HydrophobicContact CE1-CG 4.1Å; Y60-R68 HydrophobicContact CE2-CB 4.33Å; Y60-R68 HydrophobicContact CE2-CG 3.83Å; Y60-R68 WeakPolarHBondContact O-CD 3.29Å; Y60-R68 PolarHBondContact O-NH1 2.99Å; Y60-V71 HydrophobicContact CE2-CG1 4.47Å
61	E	48.7	Very low	45.7	Very low	144 Å²	144	103.4 Å²	103.4	67%	0.673	50%	0.501	S	S	*	.	H	α-helix	trans	-74	-39.9	171.5	-58.9	-168.1	133.6	0	0	110.8	K58 L59 R68	K58-E61 VanDerWaalsContact O-CB 3.3Å; K58-E61 WeakPolarHBondContact O-CB 3.17Å; K58-E61 PolarHBondContact O-N 3.13Å; L59-E61 VanDerWaalsContact C-N 3.3Å; E61-R68 VanDerWaalsContact CA-NH1 3.32Å; E61-R68 PolarHBondContact O-NH1 3.2Å; E61-R68 PolarHBondContact O-NH2 2.73Å
62	D	48.2	Very low	46.8	Very low	120 Å²	120	99.2 Å²	99.2	64%	0.642	47%	0.47	S	S	*	.	H	α-helix	trans	-67.6	-28.3	177	-65	-55	0	0	0	114.1	P64	D62-P64 WeakPolarHBondContact O-CD 3.31Å
63	V	44.3	Very low	48.2	Very low	42 Å²	42	95.8 Å²	95.8	26%	0.255	46%	0.458	S	S	.	.	S	Bend	trans	-64.1	126	178.9	-179.6	0	0	0	0	110.3	L59 R68	L59-V63 WeakPolarHBondContact O-CG2 3.33Å; L59-V63 PolarHBondContact O-N 3.02Å; V63-R68 HydrophobicContact CB-CG 3.89Å; V63-R68 HydrophobicContact CG1-CG 3.8Å; V63-R68 PolarHBondContact O-NE 2.86Å; V63-R68 PolarHBondContact O-NH1 2.83Å; V63-R68 PolarHBondContact O-NH2 3.01Å
64	P	44.5	Very low	49.5	Very low	63 Å²	63	93.5 Å²	93.5	41%	0.409	45%	0.45	S	S	.	.			trans	-54.8	155	176.7	-29.7	37.1	0	0	0	114.3	D62 Y66 G67 R68	D62-P64 WeakPolarHBondContact O-CD 3.31Å; P64-Y66 HydrophobicContact CB-CD1 3.57Å; P64-Y66 HydrophobicContact CB-CE1 3.26Å; P64-Y66 HydrophobicContact CB-CG 4.41Å; P64-Y66 HydrophobicContact CG-CE1 3.93Å; P64-Y66 PolarHBondContact O-N 3Å; P64-G67 PolarHBondContact O-N 2.82Å; P64-R68 PolarHBondContact O-N 3.33Å
65	A	50.4	Low	50.5	Low	75 Å²	75	90.9 Å²	90.9	62%	0.62	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.1	-176.2	0	0	0	0	0	114.5
66	Y	42.3	Very low	52	Low	163 Å²	163	89 Å²	89	64%	0.639	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-48.7	171	65.6	-88.7	0	0	0	112	P64 R68 R69	P64-Y66 HydrophobicContact CB-CD1 3.57Å; P64-Y66 HydrophobicContact CB-CE1 3.26Å; P64-Y66 HydrophobicContact CB-CG 4.41Å; P64-Y66 HydrophobicContact CG-CE1 3.93Å; P64-Y66 PolarHBondContact O-N 3Å; Y66-R68 VanDerWaalsContact C-N 3.25Å; Y66-R68 PolarHBondContact O-N 3.42Å; Y66-R69 WeakPolarHBondContact O-CB 3.29Å; Y66-R69 PolarHBondContact O-N 2.83Å
67	G	43.3	Very low	53.2	Low	15 Å²	15	91.5 Å²	91.5	16%	0.155	43%	0.428	C	S	.	.	H	α-helix	trans	-57.5	-35.9	176.9	0	0	0	0	0	113.2	P64 R69 F70 V71	P64-G67 PolarHBondContact O-N 2.82Å; G67-R69 PolarHBondContact O-N 3.34Å; G67-R69 VanDerWaalsContact O-N 3.14Å; G67-F70 PolarHBondContact O-N 3.17Å; G67-V71 PolarHBondContact O-N 2.97Å
68	R	54.1	Low	54.2	Low	77 Å²	77	93.5 Å²	93.5	29%	0.291	43%	0.434	S	S	.	.	H	α-helix	trans	-59.5	-22.9	173.4	-75.9	-171.8	-92.8	-127.3	-4.9	113.9	Y60 E61 V63 P64 Y66 H72	Y60-R68 HydrophobicContact CD2-CG 4.36Å; Y60-R68 HydrophobicContact CE1-CG 4.1Å; Y60-R68 HydrophobicContact CE2-CB 4.33Å; Y60-R68 HydrophobicContact CE2-CG 3.83Å; Y60-R68 WeakPolarHBondContact O-CD 3.29Å; Y60-R68 PolarHBondContact O-NH1 2.99Å; E61-R68 VanDerWaalsContact CA-NH1 3.32Å; E61-R68 PolarHBondContact O-NH1 3.2Å; E61-R68 PolarHBondContact O-NH2 2.73Å; V63-R68 HydrophobicContact CB-CG 3.89Å; V63-R68 HydrophobicContact CG1-CG 3.8Å; V63-R68 PolarHBondContact O-NE 2.86Å; V63-R68 PolarHBondContact O-NH1 2.83Å; V63-R68 PolarHBondContact O-NH2 3.01Å; P64-R68 PolarHBondContact O-N 3.33Å; Y66-R68 VanDerWaalsContact C-N 3.25Å; Y66-R68 PolarHBondContact O-N 3.42Å; R68-H72 WeakPolarHBondContact O-CB 3.46Å; R68-H72 PolarHBondContact O-N 2.92Å
69	R	58.6	Low	55.2	Low	128 Å²	128	91 Å²	91	48%	0.483	42%	0.42	S	S	.	.	H	α-helix	trans	-78	-42.7	171.4	-64.1	179.8	173.8	-109.6	-1.9	111.9	Y66 G67 H72 D73	Y66-R69 WeakPolarHBondContact O-CB 3.29Å; Y66-R69 PolarHBondContact O-N 2.83Å; G67-R69 PolarHBondContact O-N 3.34Å; G67-R69 VanDerWaalsContact O-N 3.14Å; R69-H72 PolarHBondContact O-N 2.9Å; R69-D73 PolarHBondContact O-N 3.47Å
70	F	55.5	Low	56.3	Low	123 Å²	123	89.5 Å²	89.5	54%	0.539	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-48.5	177.8	-176.3	-93	0	0	0	111.4	G67 H72 D73 W74	G67-F70 PolarHBondContact O-N 3.17Å; F70-H72 VanDerWaalsContact C-N 3.26Å; F70-H72 PolarHBondContact O-N 2.68Å; F70-D73 PolarHBondContact O-N 2.93Å; F70-W74 WeakPolarHBondContact O-CB 3.45Å; F70-W74 PolarHBondContact O-N 2.9Å
71	V	56.5	Low	57.5	Low	36 Å²	36	90.6 Å²	90.6	22%	0.218	42%	0.42	C	S	.	.	H	α-helix	trans	-57.5	-39.7	175.1	176	0	0	0	0	111.4	F54 Y60 G67 E75	F54-V71 HydrophobicContact CD1-CG1 4.37Å; F54-V71 HydrophobicContact CG-CG1 4.36Å; Y60-V71 HydrophobicContact CE2-CG1 4.47Å; G67-V71 PolarHBondContact O-N 2.97Å; V71-E75 WeakPolarHBondContact O-CB 3.41Å; V71-E75 PolarHBondContact O-N 3.38Å
72	H	57.4	Low	58.2	Low	39 Å²	39	87.2 Å²	87.2	18%	0.181	40%	0.404	C	S	.	.	H	α-helix	trans	-69.2	-37.8	178.1	-173.3	-78.2	0	0	0	113.2	R55 R68 R69 F70 R76	R55-H72 PolarHBondContact NH2-CD2 3.33Å; R55-H72 VanDerWaalsContact NH2-CD2 3.27Å; R55-H72 PolarHBondContact NH2-NE2 2.66Å; R68-H72 WeakPolarHBondContact O-CB 3.46Å; R68-H72 PolarHBondContact O-N 2.92Å; R69-H72 PolarHBondContact O-N 2.9Å; F70-H72 VanDerWaalsContact C-N 3.26Å; F70-H72 PolarHBondContact O-N 2.68Å; H72-R76 VanDerWaalsContact O-CB 3.25Å; H72-R76 WeakPolarHBondContact O-CB 3.4Å; H72-R76 PolarHBondContact O-N 2.85Å
73	D	64.6	Low	59.1	Low	67 Å²	67	89.3 Å²	89.3	36%	0.358	40%	0.403	S	S	.	.	H	α-helix	trans	-75.8	-32.3	176.4	-96.5	-1.9	0	0	0	112.9	R69 F70 R76 R77	R69-D73 PolarHBondContact O-N 3.47Å; F70-D73 PolarHBondContact O-N 2.93Å; D73-R76 IonicContact OD1-CZ 3.84Å; D73-R76 IonicContact OD1-NH1 2.85Å; D73-R76 PolarHBondContact OD1-NH1 2.98Å; D73-R77 WeakPolarHBondContact O-CB 3.46Å; D73-R77 VanDerWaalsContact O-CG 3.23Å; D73-R77 WeakPolarHBondContact O-CG 3.41Å; D73-R77 PolarHBondContact O-N 3.04Å
74	W	66.6	Low	60.4	Low	134 Å²	134	92.3 Å²	92.3	51%	0.508	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-49.2	168.9	-176.1	95.1	0	0	0	110.8	F70 R76 R77 F78	F70-W74 WeakPolarHBondContact O-CB 3.45Å; F70-W74 PolarHBondContact O-N 2.9Å; W74-R76 VanDerWaalsContact C-N 3.27Å; W74-R76 PolarHBondContact O-N 3.06Å; W74-R77 PolarHBondContact O-N 3.22Å; W74-F78 WeakPolarHBondContact O-CB 3.47Å; W74-F78 PolarHBondContact O-N 2.84Å
75	E	64.9	Low	61.2	Low	16 Å²	16	95.5 Å²	95.5	8%	0.075	42%	0.423	C	S	.	.	H	α-helix	trans	-58.2	-37.9	175.4	-178	-176.1	-142.5	0	0	111.8	R55 V71 R79	R55-E75 IonicContact NE-OE2 3.64Å; R55-E75 IonicContact NH2-OE2 2.8Å; R55-E75 PolarHBondContact NH2-OE2 3.35Å; V71-E75 WeakPolarHBondContact O-CB 3.41Å; V71-E75 PolarHBondContact O-N 3.38Å; E75-R79 WeakPolarHBondContact O-CD 3.45Å; E75-R79 WeakPolarHBondContact O-CG 3.37Å; E75-R79 PolarHBondContact O-N 3.09Å; E75-R79 IonicContact OE1-CZ 3.79Å; E75-R79 IonicContact OE1-NE 2.67Å; E75-R79 IonicContact OE1-NH2 3.13Å; E75-R79 PolarHBondContact OE1-NH2 2.74Å; E75-R79 IonicContact OE2-NH2 3.86Å
76	R	70.5	Confident	61.8	Low	102 Å²	102	95.4 Å²	95.4	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-52.7	174	175.8	-174.2	-88.3	153.5	-15.8	111.4	H72 D73 W74 R79 E80	H72-R76 VanDerWaalsContact O-CB 3.25Å; H72-R76 WeakPolarHBondContact O-CB 3.4Å; H72-R76 PolarHBondContact O-N 2.85Å; D73-R76 IonicContact OD1-CZ 3.84Å; D73-R76 IonicContact OD1-NH1 2.85Å; D73-R76 PolarHBondContact OD1-NH1 2.98Å; W74-R76 VanDerWaalsContact C-N 3.27Å; W74-R76 PolarHBondContact O-N 3.06Å; R76-R79 PolarHBondContact O-N 2.86Å; R76-E80 PolarHBondContact O-N 3.19Å; R76-E80 VanDerWaalsContact O-N 3.08Å
77	R	68.6	Low	62.5	Low	165 Å²	165	92.5 Å²	92.5	62%	0.623	41%	0.41	S	S	*	.	H	α-helix	trans	-62.2	-44.9	-179.2	-74.1	167.8	-177.2	-113.1	2.4	112.5	D73 W74 R79 E80 D81	D73-R77 WeakPolarHBondContact O-CB 3.46Å; D73-R77 VanDerWaalsContact O-CG 3.23Å; D73-R77 WeakPolarHBondContact O-CG 3.41Å; D73-R77 PolarHBondContact O-N 3.04Å; W74-R77 PolarHBondContact O-N 3.22Å; R77-R79 VanDerWaalsContact C-N 3.34Å; R77-R79 PolarHBondContact O-N 3.09Å; R77-E80 WeakPolarHBondContact O-CB 3.24Å; R77-E80 PolarHBondContact O-N 3.39Å; R77-D81 PolarHBondContact O-N 3Å
78	F	63.6	Low	62.9	Low	112 Å²	112	98.8 Å²	98.8	49%	0.491	43%	0.433	S	S	.	.	H	α-helix	trans	-57.2	-46.4	177.7	-177.8	-97.2	0	0	0	111.7	W74 E80 D81 M82	W74-F78 WeakPolarHBondContact O-CB 3.47Å; W74-F78 PolarHBondContact O-N 2.84Å; F78-E80 VanDerWaalsContact C-N 3.32Å; F78-E80 PolarHBondContact O-N 2.93Å; F78-D81 PolarHBondContact O-N 3Å; F78-M82 HydrophobicContact CD1-CG 4.29Å; F78-M82 HydrophobicContact CE1-CG 3.95Å; F78-M82 HydrophobicContact CZ-CG 4.11Å; F78-M82 HydrophobicContact CZ-SD 4.32Å; F78-M82 WeakPolarHBondContact O-CB 3.35Å; F78-M82 VanDerWaalsContact O-CG 3.31Å; F78-M82 WeakPolarHBondContact O-CG 3.41Å; F78-M82 PolarHBondContact O-N 3.24Å
79	R	66.1	Low	62.6	Low	117 Å²	117	97.4 Å²	97.4	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-64.2	-34.3	175.3	-67.5	169.8	-170.3	-143	9.9	113	E75 R76 R77 R83	E75-R79 WeakPolarHBondContact O-CD 3.45Å; E75-R79 WeakPolarHBondContact O-CG 3.37Å; E75-R79 PolarHBondContact O-N 3.09Å; E75-R79 IonicContact OE1-CZ 3.79Å; E75-R79 IonicContact OE1-NE 2.67Å; E75-R79 IonicContact OE1-NH2 3.13Å; E75-R79 PolarHBondContact OE1-NH2 2.74Å; E75-R79 IonicContact OE2-NH2 3.86Å; R76-R79 PolarHBondContact O-N 2.86Å; R77-R79 VanDerWaalsContact C-N 3.34Å; R77-R79 PolarHBondContact O-N 3.09Å; R79-R83 WeakPolarHBondContact O-CD 3.45Å; R79-R83 VanDerWaalsContact O-CG 3.26Å; R79-R83 WeakPolarHBondContact O-CG 3.33Å; R79-R83 PolarHBondContact O-N 3.13Å; R79-R83 VanDerWaalsContact O-N 3.17Å
80	E	70.2	Confident	62.1	Low	84 Å²	84	96.2 Å²	96.2	39%	0.393	44%	0.441	S	S	.	.	H	α-helix	trans	-71	-40.2	176.1	-76.5	176.2	-168.3	0	0	112.4	R76 R77 F78 R83 K84	R76-E80 PolarHBondContact O-N 3.19Å; R76-E80 VanDerWaalsContact O-N 3.08Å; R77-E80 WeakPolarHBondContact O-CB 3.24Å; R77-E80 PolarHBondContact O-N 3.39Å; F78-E80 VanDerWaalsContact C-N 3.32Å; F78-E80 PolarHBondContact O-N 2.93Å; E80-R83 PolarHBondContact O-N 3.33Å; E80-K84 WeakPolarHBondContact O-CE 3.21Å; E80-K84 VanDerWaalsContact O-CG 3.28Å; E80-K84 WeakPolarHBondContact O-CG 3.13Å; E80-K84 PolarHBondContact O-N 2.8Å
81	D	68.1	Low	61.6	Low	81 Å²	81	99.4 Å²	99.4	43%	0.433	45%	0.45	S	S	.	.	H	α-helix	trans	-72.7	-37.1	177.8	-73.8	-17.9	0	0	0	112.1	R77 F78 R83 K84 Q85	R77-D81 PolarHBondContact O-N 3Å; F78-D81 PolarHBondContact O-N 3Å; D81-R83 VanDerWaalsContact C-N 3.32Å; D81-R83 PolarHBondContact O-N 3.04Å; D81-K84 WeakPolarHBondContact O-CB 3.3Å; D81-K84 PolarHBondContact O-N 3.15Å; D81-K84 VanDerWaalsContact O-N 3.08Å; D81-K84 WeakPolarHBondContact OD1-CD 3.43Å; D81-K84 WeakPolarHBondContact OD1-CE 3.37Å; D81-K84 IonicContact OD1-NZ 3.64Å; D81-K84 PolarHBondContact OD1-NZ 2.92Å; D81-Q85 WeakPolarHBondContact O-CG 3.21Å; D81-Q85 PolarHBondContact O-N 3.24Å
82	M	64.8	Low	60.9	Low	72 Å²	72	104.9 Å²	104.9	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-56.9	-44.4	168.3	-72.2	-63.4	-71.2	0	0	111.7	F78 K84 Q85 T86	F78-M82 HydrophobicContact CD1-CG 4.29Å; F78-M82 HydrophobicContact CE1-CG 3.95Å; F78-M82 HydrophobicContact CZ-CG 4.11Å; F78-M82 HydrophobicContact CZ-SD 4.32Å; F78-M82 WeakPolarHBondContact O-CB 3.35Å; F78-M82 VanDerWaalsContact O-CG 3.31Å; F78-M82 WeakPolarHBondContact O-CG 3.41Å; F78-M82 PolarHBondContact O-N 3.24Å; M82-K84 VanDerWaalsContact C-N 3.34Å; M82-K84 PolarHBondContact O-N 3.21Å; M82-Q85 PolarHBondContact O-N 3.09Å; M82-T86 PolarHBondContact O-N 2.69Å; M82-T86 PolarHBondContact O-OG1 3.37Å
83	R	65.9	Low	60.2	Low	165 Å²	165	107.9 Å²	107.9	62%	0.623	49%	0.488	S	S	*	.	H	α-helix	trans	-64.5	-33.5	173.7	-74.7	168.7	175.3	174.4	-4.5	113.3	R79 E80 D81 T86 N87	R79-R83 WeakPolarHBondContact O-CD 3.45Å; R79-R83 VanDerWaalsContact O-CG 3.26Å; R79-R83 WeakPolarHBondContact O-CG 3.33Å; R79-R83 PolarHBondContact O-N 3.13Å; R79-R83 VanDerWaalsContact O-N 3.17Å; E80-R83 PolarHBondContact O-N 3.33Å; D81-R83 VanDerWaalsContact C-N 3.32Å; D81-R83 PolarHBondContact O-N 3.04Å; R83-T86 PolarHBondContact O-OG1 2.93Å; R83-N87 VanDerWaalsContact O-CB 3.22Å; R83-N87 WeakPolarHBondContact O-CB 3.18Å; R83-N87 VanDerWaalsContact O-CG 3.24Å; R83-N87 PolarHBondContact O-N 3.2Å; R83-N87 PolarHBondContact O-ND2 3.48Å; R83-N87 VanDerWaalsContact O-ND2 3.15Å
84	K	72.1	Confident	59	Low	104 Å²	104	108.4 Å²	108.4	45%	0.452	50%	0.497	S	S	.	.	H	α-helix	trans	-70.8	-33.4	174.6	-69.6	164.6	-147.5	160.5	0	111.4	E80 D81 M82 K88	E80-K84 WeakPolarHBondContact O-CE 3.21Å; E80-K84 VanDerWaalsContact O-CG 3.28Å; E80-K84 WeakPolarHBondContact O-CG 3.13Å; E80-K84 PolarHBondContact O-N 2.8Å; D81-K84 WeakPolarHBondContact O-CB 3.3Å; D81-K84 PolarHBondContact O-N 3.15Å; D81-K84 VanDerWaalsContact O-N 3.08Å; D81-K84 WeakPolarHBondContact OD1-CD 3.43Å; D81-K84 WeakPolarHBondContact OD1-CE 3.37Å; D81-K84 IonicContact OD1-NZ 3.64Å; D81-K84 PolarHBondContact OD1-NZ 2.92Å; M82-K84 VanDerWaalsContact C-N 3.34Å; M82-K84 PolarHBondContact O-N 3.21Å; K84-K88 WeakPolarHBondContact O-CB 3.44Å; K84-K88 VanDerWaalsContact O-CG 3.3Å; K84-K88 WeakPolarHBondContact O-CG 3.28Å; K84-K88 PolarHBondContact O-N 3.13Å; K84-K88 VanDerWaalsContact O-N 3.15Å
85	Q	61.7	Low	57.7	Low	131 Å²	131	107.2 Å²	107.2	61%	0.612	50%	0.504	S	S	*	.	H	α-helix	trans	-70.2	-49.5	174.9	-70.7	-173.7	13	0	0	111.5	D81 M82 N87 K88 A89	D81-Q85 WeakPolarHBondContact O-CG 3.21Å; D81-Q85 PolarHBondContact O-N 3.24Å; M82-Q85 PolarHBondContact O-N 3.09Å; Q85-N87 PolarHBondContact O-N 3.13Å; Q85-K88 WeakPolarHBondContact O-CA 3.25Å; Q85-K88 WeakPolarHBondContact O-CB 3.33Å; Q85-K88 PolarHBondContact O-N 3.44Å; Q85-A89 PolarHBondContact O-N 3.28Å
86	T	62.7	Low	56.5	Low	73 Å²	73	114.4 Å²	114.4	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-63.1	-40.4	177.5	56.3	0	0	0	0	112.3	M82 R83 K88 A89 N90	M82-T86 PolarHBondContact O-N 2.69Å; M82-T86 PolarHBondContact O-OG1 3.37Å; R83-T86 PolarHBondContact O-OG1 2.93Å; T86-K88 PolarHBondContact O-N 3.31Å; T86-A89 PolarHBondContact O-N 3.3Å; T86-N90 WeakPolarHBondContact O-CB 3.41Å; T86-N90 VanDerWaalsContact O-CG 3.32Å; T86-N90 PolarHBondContact O-N 2.86Å; T86-N90 PolarHBondContact O-OD1 3.44Å
87	N	55.9	Low	54.9	Low	102 Å²	102	118.3 Å²	118.3	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-19.3	173.3	-75.1	-27.2	0	0	0	114.1	R83 Q85 R91	R83-N87 VanDerWaalsContact O-CB 3.22Å; R83-N87 WeakPolarHBondContact O-CB 3.18Å; R83-N87 VanDerWaalsContact O-CG 3.24Å; R83-N87 PolarHBondContact O-N 3.2Å; R83-N87 PolarHBondContact O-ND2 3.48Å; R83-N87 VanDerWaalsContact O-ND2 3.15Å; Q85-N87 PolarHBondContact O-N 3.13Å; N87-R91 WeakPolarHBondContact O-CB 3.3Å; N87-R91 WeakPolarHBondContact O-CG 3.34Å
88	K	52.1	Low	53.3	Low	146 Å²	146	114.5 Å²	114.5	64%	0.635	56%	0.562	S	S	*	*	H	α-helix	trans	-82.2	-44.3	170.3	-82	178.7	176.8	-174.5	0	111.5	K84 Q85 T86 R91 F92	K84-K88 WeakPolarHBondContact O-CB 3.44Å; K84-K88 VanDerWaalsContact O-CG 3.3Å; K84-K88 WeakPolarHBondContact O-CG 3.28Å; K84-K88 PolarHBondContact O-N 3.13Å; K84-K88 VanDerWaalsContact O-N 3.15Å; Q85-K88 WeakPolarHBondContact O-CA 3.25Å; Q85-K88 WeakPolarHBondContact O-CB 3.33Å; Q85-K88 PolarHBondContact O-N 3.44Å; T86-K88 PolarHBondContact O-N 3.31Å; K88-R91 PolarHBondContact O-N 3.05Å; K88-F92 WeakPolarHBondContact O-CD2 3.39Å; K88-F92 PolarHBondContact O-N 3.04Å
89	A	47.7	Very low	51.8	Low	49 Å²	49	116 Å²	116	41%	0.405	58%	0.575	S	S	.	*	H	α-helix	trans	-56.8	-54	175	0	0	0	0	0	110.9	Q85 T86 R91 F92 D93	Q85-A89 PolarHBondContact O-N 3.28Å; T86-A89 PolarHBondContact O-N 3.3Å; A89-R91 PolarHBondContact O-N 2.92Å; A89-R91 VanDerWaalsContact O-N 3.09Å; A89-F92 PolarHBondContact O-N 3.25Å; A89-D93 PolarHBondContact O-N 3.03Å
90	N	48.1	Very low	50.2	Low	103 Å²	103	117.3 Å²	117.3	55%	0.551	59%	0.591	S	S	*	*	H	α-helix	trans	-58.7	-28.6	178.6	-67.2	7.6	0	0	0	113	T86 S94	T86-N90 WeakPolarHBondContact O-CB 3.41Å; T86-N90 VanDerWaalsContact O-CG 3.32Å; T86-N90 PolarHBondContact O-N 2.86Å; T86-N90 PolarHBondContact O-OD1 3.44Å; N90-S94 WeakPolarHBondContact O-CB 3.43Å; N90-S94 PolarHBondContact O-N 2.59Å; N90-S94 PolarHBondContact O-OG 3.13Å
91	R	45.1	Very low	48.3	Very low	190 Å²	190	121.8 Å²	121.8	72%	0.717	61%	0.612	S	S	*	*	H	α-helix	trans	-79.4	-24.6	174.2	-90.7	-173.7	169.3	-167.2	-2.8	114.6	N87 K88 A89 V95	N87-R91 WeakPolarHBondContact O-CB 3.3Å; N87-R91 WeakPolarHBondContact O-CG 3.34Å; K88-R91 PolarHBondContact O-N 3.05Å; A89-R91 PolarHBondContact O-N 2.92Å; A89-R91 VanDerWaalsContact O-N 3.09Å; R91-V95 WeakPolarHBondContact O-CG2 3.46Å
92	F	42	Very low	46.5	Very low	150 Å²	150	127.9 Å²	127.9	66%	0.658	63%	0.634	S	S	*	*	H	α-helix	trans	-81.7	-34.6	173.2	-92.5	-82.1	0	0	0	111.5	K88 A89	K88-F92 WeakPolarHBondContact O-CD2 3.39Å; K88-F92 PolarHBondContact O-N 3.04Å; A89-F92 PolarHBondContact O-N 3.25Å
93	D	42.9	Very low	44.9	Very low	102 Å²	102	131.5 Å²	131.5	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-72.7	-40.9	174.1	-66	-20.6	0	0	0	111.5	A89 V95 K96	A89-D93 PolarHBondContact O-N 3.03Å; D93-V95 PolarHBondContact O-N 2.66Å; D93-V95 VanDerWaalsContact O-N 3.09Å; D93-K96 PolarHBondContact O-N 3.38Å; D93-K96 VanDerWaalsContact O-N 3.17Å
94	S	38.6	Very low	43.1	Very low	79 Å²	79	129.8 Å²	129.8	55%	0.552	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-7.5	177.1	79.8	0	0	0	0	114.9	N90	N90-S94 WeakPolarHBondContact O-CB 3.43Å; N90-S94 PolarHBondContact O-N 2.59Å; N90-S94 PolarHBondContact O-OG 3.13Å
95	V	41.1	Very low	41.3	Very low	108 Å²	108	128.9 Å²	128.9	66%	0.655	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-9.6	178.4	170.1	0	0	0	0	111.8	R91 D93	R91-V95 WeakPolarHBondContact O-CG2 3.46Å; D93-V95 PolarHBondContact O-N 2.66Å; D93-V95 VanDerWaalsContact O-N 3.09Å
96	K	38.9	Very low	39.9	Very low	168 Å²	168	128.5 Å²	128.5	73%	0.73	69%	0.69	S	S	*	*	S	Bend	trans	-101.8	7.3	179.9	-76.1	-174.6	171.8	-175.6	0	115.2	D93	D93-K96 PolarHBondContact O-N 3.38Å; D93-K96 VanDerWaalsContact O-N 3.17Å
97	H	37.7	Very low	38.3	Very low	184 Å²	184	130.7 Å²	130.7	85%	0.852	70%	0.703	S	S	*	*	S	Bend	trans	-125.8	25	177.4	-89.9	-61.6	0	0	0	113.6
98	A	33.2	Very low	37.1	Very low	85 Å²	85	131.4 Å²	131.4	70%	0.702	71%	0.71	S	S	*	*			trans	-111.1	40.4	-177.6	0	0	0	0	0	113.3
99	D	32.9	Very low	36	Very low	143 Å²	143	134.3 Å²	134.3	77%	0.765	72%	0.723	S	S	*	*			trans	-120.1	144.8	172.3	-86.1	-50.4	0	0	0	110.9
100	N	32.2	Very low	35.3	Very low	145 Å²	145	136.5 Å²	136.5	78%	0.775	74%	0.741	S	S	*	*			trans	68.4	78.5	170.4	-53	-49.5	0	0	0	118.8
101	Q	30.7	Very low	34.5	Very low	178 Å²	178	142.7 Å²	142.7	83%	0.832	76%	0.757	S	S	*	*				-179.5	115.8	119.6	-101.2	156.4	89.1	0	0	112.9
102	F	30.5	Very low	34	Very low	208 Å²	208	139.2 Å²	139.2	91%	0.912	75%	0.747	S	S	*	*				-176.4	116.9	121.1	-111.1	-71.5	0	0	0	110.8
103	D	30.2	Very low	33.7	Very low	148 Å²	148	137.2 Å²	137.2	79%	0.791	75%	0.752	S	S	*	*			trans	-84.7	138.4	177.9	-66.4	-81.4	0	0	0	112.7
104	S	28.4	Very low	33.4	Very low	129 Å²	129	140.4 Å²	140.4	90%	0.902	76%	0.763	S	S	*	*				169.9	142.7	129.6	-77.9	0	0	0	0	112.5
105	A	34.5	Very low	33.1	Very low	85 Å²	85	145 Å²	145	70%	0.702	77%	0.768	S	S	*	*			trans	-101.5	172.9	177.1	0	0	0	0	0	112.4
106	P	32.7	Very low	32.8	Very low	124 Å²	124	146.8 Å²	146.8	81%	0.805	78%	0.78	S	S	*	*				-148.1	119.1	100.9	34.5	-16.3	0	0	0	117.5
107	V	28.1	Very low	32.4	Very low	119 Å²	119	145.5 Å²	145.5	72%	0.721	78%	0.777	S	S	*	*				51.1	103.1	113.4	179.4	0	0	0	0	120.3
108	V	30.8	Very low	32.2	Very low	117 Å²	117	141.9 Å²	141.9	71%	0.709	78%	0.778	S	S	*	*				68.7	138	129.3	177.1	0	0	0	0	118.1
109	K	29.7	Very low	32.3	Very low	206 Å²	206	143.3 Å²	143.3	90%	0.896	78%	0.783	S	S	*	*			cis	-159.4	167.2	45.7	-139.3	143.9	-149.2	164.5	0	112
110	A	33.2	Very low	32.5	Very low	95 Å²	95	141.7 Å²	141.7	79%	0.785	78%	0.78	S	S	*	*			trans	-124.6	167	-176.1	0	0	0	0	0	114.7
111	R	30.3	Very low	32.6	Very low	233 Å²	233	141.9 Å²	141.9	88%	0.879	79%	0.787	S	S	*	*			trans	-158	163.3	154.9	-122.4	175.4	-178.3	-177.5	-0.8	114.3
112	K	34.9	Very low	32.8	Very low	117 Å²	117	141.9 Å²	141.9	51%	0.509	78%	0.784	S	S	.	*			trans	-145.1	144.5	-150.7	-177.2	172	177.4	140.9	0	112	E368 D369	K112-E368 PolarHBondContact NZ-O 3.46Å; K112-D369 HydrophobicContact CD-CB 4.23Å; K112-D369 WeakPolarHBondContact CE-OD2 3.49Å; K112-D369 HydrophobicContact CG-CB 4.45Å; K112-D369 IonicContact NZ-OD2 3.43Å; K112-D369 PolarHBondContact NZ-OD2 2.87Å
113	S	36.6	Very low	33.1	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	77%	0.77	S	S	*	*			trans	-176.4	124.2	157.9	-86.8	0	0	0	0	108.3
114	Q	36.4	Very low	33.5	Very low	169 Å²	169	132.3 Å²	132.3	79%	0.79	76%	0.764	S	S	*	*				61.1	141.6	71.1	-73.8	-157.2	-11.6	0	0	115.8
115	R	32.7	Very low	34.1	Very low	174 Å²	174	129.8 Å²	129.8	66%	0.657	75%	0.745	S	S	*	*			cis	-176.1	136.1	-16.7	169.2	-177	179.5	-152.7	3	108.8	E117	R115-E117 IonicContact CZ-OE1 3.72Å; R115-E117 IonicContact NE-OE1 3.23Å; R115-E117 PolarHBondContact NE-OE1 2.7Å; R115-E117 IonicContact NH2-OE1 2.71Å; R115-E117 PolarHBondContact NH2-OE1 2.86Å; R115-E117 IonicContact NH2-OE2 2.73Å
116	T	33.4	Very low	34.3	Very low	146 Å²	146	131.5 Å²	131.5	90%	0.896	74%	0.742	S	S	*	*			trans	-158.8	146.4	144.4	0.4	0	0	0	0	111.7
117	E	31.6	Very low	34.9	Very low	142 Å²	142	133 Å²	133	66%	0.664	74%	0.738	S	S	*	*			trans	-110.4	145.6	-177.1	-73.5	150.5	-125.8	0	0	111.6	R115	R115-E117 IonicContact CZ-OE1 3.72Å; R115-E117 IonicContact NE-OE1 3.23Å; R115-E117 PolarHBondContact NE-OE1 2.7Å; R115-E117 IonicContact NH2-OE1 2.71Å; R115-E117 PolarHBondContact NH2-OE1 2.86Å; R115-E117 IonicContact NH2-OE2 2.73Å
118	A	33.3	Very low	35.6	Very low	107 Å²	107	133.7 Å²	133.7	88%	0.884	73%	0.732	S	S	*	*			trans	-133.2	145.1	154.4	0	0	0	0	0	107.7
119	S	34.7	Very low	36.7	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	72%	0.721	S	S	*	*			trans	-119	177.7	-156.3	82.3	0	0	0	0	112.2
120	P	38.1	Very low	38	Very low	109 Å²	109	126 Å²	126	71%	0.708	70%	0.697	S	S	*	*				-118.5	158.6	-123.6	25.6	-4.6	0	0	0	115.8
121	T	33.7	Very low	38.8	Very low	149 Å²	149	126.6 Å²	126.6	91%	0.914	69%	0.686	S	S	*	*			trans	-93.6	134	167	-53.6	0	0	0	0	109.9
122	K	35.2	Very low	40.2	Very low	178 Å²	178	120 Å²	120	77%	0.774	66%	0.663	S	S	*	*			trans	-120.9	14.3	-147.8	-148	-176.5	-179.6	-173.5	0	116.4
123	A	36.1	Very low	41.8	Very low	74 Å²	74	121 Å²	121	61%	0.612	67%	0.67	S	S	*	*			trans	-91.2	-18.3	-159.7	0	0	0	0	0	117.5
124	A	38.6	Very low	43.3	Very low	81 Å²	81	121.7 Å²	121.7	67%	0.669	66%	0.659	S	S	*	*	H	α-helix	trans	-74.4	-32.7	-168	0	0	0	0	0	118.4
125	P	41.5	Very low	44.3	Very low	77 Å²	77	119.7 Å²	119.7	50%	0.5	65%	0.654	S	S	.	*	H	α-helix	trans	-74.2	-33.1	-172.2	28.8	-33.5	0	0	0	112.8	E127 F128 D129	P125-E127 VanDerWaalsContact C-N 3.3Å; P125-E127 PolarHBondContact O-N 2.83Å; P125-F128 PolarHBondContact O-N 2.89Å; P125-F128 VanDerWaalsContact O-N 3.14Å; P125-D129 PolarHBondContact O-N 3.43Å
126	D	39.5	Very low	46.1	Very low	120 Å²	120	120.1 Å²	120.1	64%	0.642	66%	0.655	S	S	*	*	H	α-helix	trans	-64.3	-34.3	-174	-62.7	-13.8	0	0	0	112	N130	D126-N130 WeakPolarHBondContact O-CB 3.5Å; D126-N130 PolarHBondContact O-N 2.89Å
127	E	44	Very low	47.8	Very low	155 Å²	155	115.9 Å²	115.9	72%	0.724	64%	0.635	S	S	*	*	H	α-helix	trans	-64.7	-39.1	175.8	-66.7	-159.6	146.4	0	0	112.4	P125 N130 L131	P125-E127 VanDerWaalsContact C-N 3.3Å; P125-E127 PolarHBondContact O-N 2.83Å; E127-N130 PolarHBondContact O-N 2.86Å; E127-L131 WeakPolarHBondContact O-CB 3.42Å; E127-L131 PolarHBondContact O-N 3.22Å
128	F	43.3	Very low	49.2	Very low	135 Å²	135	115.4 Å²	115.4	59%	0.592	64%	0.636	S	S	*	*	H	α-helix	trans	-69	-47.4	-177.3	-177.2	-105.1	0	0	0	111.7	P125 L131 K132	P125-F128 PolarHBondContact O-N 2.89Å; P125-F128 VanDerWaalsContact O-N 3.14Å; F128-L131 WeakPolarHBondContact O-CB 3.33Å; F128-L131 PolarHBondContact O-N 3.47Å; F128-K132 HydrophobicContact CE1-CD 4.39Å; F128-K132 WeakPolarHBondContact O-CB 3.34Å; F128-K132 PolarHBondContact O-N 3.26Å
129	D	53.9	Low	50.7	Low	91 Å²	91	117.8 Å²	117.8	49%	0.487	63%	0.627	S	S	.	*	H	α-helix	trans	-71.1	-31.1	176.8	-83.7	-36.2	0	0	0	112.1	P125 K132 Q133	P125-D129 PolarHBondContact O-N 3.43Å; D129-K132 WeakPolarHBondContact O-CB 3.49Å; D129-K132 PolarHBondContact O-N 3.26Å; D129-K132 VanDerWaalsContact OD1-CD 3.23Å; D129-K132 WeakPolarHBondContact OD1-CD 3.45Å; D129-K132 IonicContact OD1-NZ 2.67Å; D129-K132 PolarHBondContact OD1-NZ 3.18Å; D129-Q133 WeakPolarHBondContact O-CB 3.03Å; D129-Q133 PolarHBondContact O-N 3.44Å
130	N	57.9	Low	52.4	Low	71 Å²	71	114.8 Å²	114.8	38%	0.38	61%	0.609	S	S	.	*	H	α-helix	trans	-62.4	-41.5	169.8	-172.5	-42.9	0	0	0	111.7	D126 E127 Q133 K134	D126-N130 WeakPolarHBondContact O-CB 3.5Å; D126-N130 PolarHBondContact O-N 2.89Å; E127-N130 PolarHBondContact O-N 2.86Å; N130-Q133 PolarHBondContact O-N 2.89Å; N130-K134 WeakPolarHBondContact O-CG 3.44Å; N130-K134 PolarHBondContact O-N 3.16Å; N130-K134 WeakPolarHBondContact OD1-CD 3.14Å; N130-K134 WeakPolarHBondContact OD1-CE 3.45Å; N130-K134 PolarHBondContact OD1-NZ 3.43Å
131	L	49.9	Very low	54.2	Low	107 Å²	107	116.2 Å²	116.2	56%	0.56	60%	0.604	S	S	*	*	H	α-helix	trans	-63.6	-41	173.7	-159.8	75.4	0	0	0	111.8	E127 F128 Q133 K134 L135	E127-L131 WeakPolarHBondContact O-CB 3.42Å; E127-L131 PolarHBondContact O-N 3.22Å; F128-L131 WeakPolarHBondContact O-CB 3.33Å; F128-L131 PolarHBondContact O-N 3.47Å; L131-Q133 VanDerWaalsContact C-N 3.35Å; L131-K134 PolarHBondContact O-N 2.82Å; L131-L135 PolarHBondContact O-N 3.4Å
132	K	60.2	Low	55.7	Low	93 Å²	93	110.3 Å²	110.3	40%	0.404	57%	0.573	S	S	.	*	H	α-helix	trans	-65.6	-35.9	176.1	-154	177.2	-171	176	0	112	F128 D129 R136	F128-K132 HydrophobicContact CE1-CD 4.39Å; F128-K132 WeakPolarHBondContact O-CB 3.34Å; F128-K132 PolarHBondContact O-N 3.26Å; D129-K132 WeakPolarHBondContact O-CB 3.49Å; D129-K132 PolarHBondContact O-N 3.26Å; D129-K132 VanDerWaalsContact OD1-CD 3.23Å; D129-K132 WeakPolarHBondContact OD1-CD 3.45Å; D129-K132 IonicContact OD1-NZ 2.67Å; D129-K132 PolarHBondContact OD1-NZ 3.18Å; K132-R136 WeakPolarHBondContact O-CG 3.31Å; K132-R136 PolarHBondContact O-N 2.85Å; K132-R136 VanDerWaalsContact O-N 3.15Å
133	Q	66.6	Low	57.2	Low	139 Å²	139	107.3 Å²	107.3	65%	0.65	56%	0.563	S	S	*	*	H	α-helix	trans	-68.7	-44.9	173.1	-134.7	175.1	15.1	0	0	111.2	D129 N130 L131 L135 R136 A137	D129-Q133 WeakPolarHBondContact O-CB 3.03Å; D129-Q133 PolarHBondContact O-N 3.44Å; N130-Q133 PolarHBondContact O-N 2.89Å; L131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-L135 PolarHBondContact O-N 2.84Å; Q133-R136 PolarHBondContact O-N 2.92Å; Q133-A137 WeakPolarHBondContact O-CB 3.45Å; Q133-A137 PolarHBondContact O-N 3.3Å
134	K	68.1	Low	58.8	Low	124 Å²	124	109.8 Å²	109.8	54%	0.539	56%	0.562	S	S	.	*	H	α-helix	trans	-58.4	-43.8	173.5	-76.9	163.8	173.9	153.1	0	112	N130 L131 R136 A137 L138	N130-K134 WeakPolarHBondContact O-CG 3.44Å; N130-K134 PolarHBondContact O-N 3.16Å; N130-K134 WeakPolarHBondContact OD1-CD 3.14Å; N130-K134 WeakPolarHBondContact OD1-CE 3.45Å; N130-K134 PolarHBondContact OD1-NZ 3.43Å; L131-K134 PolarHBondContact O-N 2.82Å; K134-R136 PolarHBondContact O-N 3.32Å; K134-A137 PolarHBondContact O-N 3.02Å; K134-L138 PolarHBondContact O-N 3.3Å
135	L	58.7	Low	60.1	Low	127 Å²	127	111.5 Å²	111.5	67%	0.665	56%	0.559	S	S	*	*	H	α-helix	trans	-63.1	-41.2	177.1	-173	65.5	0	0	0	112.2	L131 Q133 L138 K139	L131-L135 PolarHBondContact O-N 3.4Å; Q133-L135 PolarHBondContact O-N 2.84Å; L135-L138 PolarHBondContact O-N 3.07Å; L135-K139 WeakPolarHBondContact O-CB 3.37Å; L135-K139 PolarHBondContact O-N 3.05Å
136	R	69.2	Low	61	Low	182 Å²	182	116.4 Å²	116.4	69%	0.687	57%	0.567	S	S	*	*	H	α-helix	trans	-62.7	-44	172.8	-74.9	172	172.1	172.1	-4.3	111.9	K132 Q133 K134 K139 A140	K132-R136 WeakPolarHBondContact O-CG 3.31Å; K132-R136 PolarHBondContact O-N 2.85Å; K132-R136 VanDerWaalsContact O-N 3.15Å; Q133-R136 PolarHBondContact O-N 2.92Å; K134-R136 PolarHBondContact O-N 3.32Å; R136-K139 PolarHBondContact O-N 3.46Å; R136-A140 PolarHBondContact O-N 2.99Å
137	A	69.6	Low	62.2	Low	57 Å²	57	116.7 Å²	116.7	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-64.6	-39.4	177.7	0	0	0	0	0	112.7	Q133 K134 A140 K141	Q133-A137 WeakPolarHBondContact O-CB 3.45Å; Q133-A137 PolarHBondContact O-N 3.3Å; K134-A137 PolarHBondContact O-N 3.02Å; A137-A140 PolarHBondContact O-N 3.05Å; A137-K141 PolarHBondContact O-N 3.36Å
138	L	61.2	Low	63.1	Low	133 Å²	133	112.1 Å²	112.1	70%	0.696	55%	0.55	S	S	*	*	H	α-helix	trans	-63.4	-43.8	173.6	-126.2	93.6	0	0	0	111.3	K134 L135 A140 K141 G142	K134-L138 PolarHBondContact O-N 3.3Å; L135-L138 PolarHBondContact O-N 3.07Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.96Å; L138-K141 PolarHBondContact O-N 3.03Å; L138-G142 PolarHBondContact O-N 3.44Å
139	K	66	Low	63.9	Low	157 Å²	157	109.9 Å²	109.9	68%	0.683	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-36.9	177.8	-167.9	171.4	-178.1	177.5	0	112	L135 R136 G142 M143	L135-K139 WeakPolarHBondContact O-CB 3.37Å; L135-K139 PolarHBondContact O-N 3.05Å; R136-K139 PolarHBondContact O-N 3.46Å; K139-G142 PolarHBondContact O-N 3.11Å; K139-M143 WeakPolarHBondContact O-CG 3.5Å; K139-M143 PolarHBondContact O-N 3.1Å
140	A	70.1	Confident	64.1	Low	52 Å²	52	111.4 Å²	111.4	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-62.7	-53.4	173.7	0	0	0	0	0	112	R136 A137 L138 G142 M143 E144	R136-A140 PolarHBondContact O-N 2.99Å; A137-A140 PolarHBondContact O-N 3.05Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.96Å; A140-G142 PolarHBondContact O-N 3.4Å; A140-M143 PolarHBondContact O-N 3.35Å; A140-E144 PolarHBondContact O-N 3.2Å
141	K	74.7	Confident	64.5	Low	139 Å²	139	111.8 Å²	111.8	60%	0.604	56%	0.555	S	S	*	*	H	α-helix	trans	-56.9	-36.9	174	-78.1	-168.3	168.9	-169.3	0	112.6	A137 L138 M143 E144 L145	A137-K141 PolarHBondContact O-N 3.36Å; L138-K141 PolarHBondContact O-N 3.03Å; K141-M143 PolarHBondContact O-N 3.28Å; K141-E144 PolarHBondContact O-N 2.98Å; K141-L145 WeakPolarHBondContact O-CB 3.33Å; K141-L145 WeakPolarHBondContact O-CG 3.33Å; K141-L145 PolarHBondContact O-N 3.43Å
142	G	65.1	Low	64.9	Low	25 Å²	25	111.7 Å²	111.7	26%	0.258	56%	0.555	S	S	.	*	H	α-helix	trans	-69.3	-9.3	175.4	0	0	0	0	0	115.4	L138 K139 A140 R146	L138-G142 PolarHBondContact O-N 3.44Å; K139-G142 PolarHBondContact O-N 3.11Å; A140-G142 PolarHBondContact O-N 3.4Å; G142-R146 PolarHBondContact O-NE 3.28Å
143	M	67.4	Low	64.8	Low	115 Å²	115	111 Å²	111	57%	0.567	56%	0.558	S	S	*	*	H	α-helix	trans	-101.4	-43.4	167.8	-64.5	-171	-52.9	0	0	111	K139 A140 K141 L145 R146 Q147	K139-M143 WeakPolarHBondContact O-CG 3.5Å; K139-M143 PolarHBondContact O-N 3.1Å; A140-M143 PolarHBondContact O-N 3.35Å; K141-M143 PolarHBondContact O-N 3.28Å; M143-L145 VanDerWaalsContact C-N 3.28Å; M143-L145 PolarHBondContact O-N 2.76Å; M143-R146 WeakPolarHBondContact O-CB 3.47Å; M143-R146 PolarHBondContact O-N 3.45Å; M143-Q147 PolarHBondContact O-N 3.14Å
144	E	70.2	Confident	64.1	Low	126 Å²	126	110.5 Å²	110.5	59%	0.589	56%	0.556	S	S	*	*	H	α-helix	trans	-51.5	-44.4	173.7	-174.8	-175.9	-169.7	0	0	112	A140 K141 R146 Q147 S148	A140-E144 PolarHBondContact O-N 3.2Å; K141-E144 PolarHBondContact O-N 2.98Å; E144-R146 PolarHBondContact O-N 2.83Å; E144-Q147 PolarHBondContact O-N 3.02Å; E144-S148 VanDerWaalsContact O-CB 3.3Å; E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.2Å
145	L	64.7	Low	63.7	Low	117 Å²	117	111.8 Å²	111.8	61%	0.613	56%	0.562	S	S	*	*	H	α-helix	trans	-63.7	-36.8	175.3	-79.2	166.9	0	0	0	113.4	K141 M143 V149	K141-L145 WeakPolarHBondContact O-CB 3.33Å; K141-L145 WeakPolarHBondContact O-CG 3.33Å; K141-L145 PolarHBondContact O-N 3.43Å; M143-L145 VanDerWaalsContact C-N 3.28Å; M143-L145 PolarHBondContact O-N 2.76Å; L145-V149 VanDerWaalsContact O-CG2 3.3Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.45Å
146	R	60.4	Low	63.5	Low	179 Å²	179	112 Å²	112	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-70	-40.9	177.1	-62.2	178.3	-149.3	-121.8	-3.5	110.9	G142 M143 E144 V149 M150	G142-R146 PolarHBondContact O-NE 3.28Å; M143-R146 WeakPolarHBondContact O-CB 3.47Å; M143-R146 PolarHBondContact O-N 3.45Å; E144-R146 PolarHBondContact O-N 2.83Å; R146-V149 PolarHBondContact O-N 2.94Å; R146-M150 WeakPolarHBondContact O-CG 3.37Å; R146-M150 PolarHBondContact O-N 3.37Å
147	Q	65.4	Low	62.4	Low	127 Å²	127	106.1 Å²	106.1	59%	0.593	55%	0.549	S	S	*	.	H	α-helix	trans	-67.8	-38	177.4	-156.6	166.5	13.8	0	0	111	M143 E144 M150 N151	M143-Q147 PolarHBondContact O-N 3.14Å; E144-Q147 PolarHBondContact O-N 3.02Å; Q147-M150 PolarHBondContact O-N 3.31Å; Q147-N151 VanDerWaalsContact O-CB 3.3Å; Q147-N151 WeakPolarHBondContact O-CB 3.3Å; Q147-N151 PolarHBondContact O-N 3.43Å; Q147-N151 PolarHBondContact O-ND2 3.33Å; Q147-N151 PolarHBondContact O-OD1 3.47Å
148	S	62.7	Low	61.7	Low	59 Å²	59	105.8 Å²	105.8	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-62.2	-43.5	170.9	-171.9	0	0	0	0	112.4	E144 N151 L152	E144-S148 VanDerWaalsContact O-CB 3.3Å; E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.2Å; S148-N151 PolarHBondContact O-N 3.13Å; S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 WeakPolarHBondContact O-CG 3.32Å; S148-L152 PolarHBondContact O-N 3.08Å
149	V	59.9	Low	61.3	Low	88 Å²	88	102 Å²	102	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-42.4	174.8	167.9	0	0	0	0	112	L145 R146 L152 T153	L145-V149 VanDerWaalsContact O-CG2 3.3Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.45Å; R146-V149 PolarHBondContact O-N 2.94Å; V149-L152 WeakPolarHBondContact O-CB 3.45Å; V149-L152 PolarHBondContact O-N 2.88Å; V149-T153 PolarHBondContact O-N 2.95Å; V149-T153 PolarHBondContact O-OG1 3.47Å
150	M	57.8	Low	60.6	Low	123 Å²	123	98.9 Å²	98.9	61%	0.606	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-47.6	174.5	-75.3	179.4	167.2	0	0	111.6	R146 Q147 L152 T153 E154	R146-M150 WeakPolarHBondContact O-CG 3.37Å; R146-M150 PolarHBondContact O-N 3.37Å; Q147-M150 PolarHBondContact O-N 3.31Å; M150-L152 PolarHBondContact O-N 3.17Å; M150-T153 WeakPolarHBondContact CA-OG1 3.34Å; M150-T153 PolarHBondContact O-N 2.86Å; M150-T153 VanDerWaalsContact O-N 3.07Å; M150-T153 PolarHBondContact O-OG1 2.9Å; M150-E154 PolarHBondContact O-N 3.27Å
151	N	65.8	Low	59.6	Low	78 Å²	78	102.9 Å²	102.9	42%	0.417	54%	0.535	S	S	.	.	H	α-helix	trans	-61.5	-28.2	175.9	-66.6	-7	0	0	0	112.8	Q147 S148 K155	Q147-N151 VanDerWaalsContact O-CB 3.3Å; Q147-N151 WeakPolarHBondContact O-CB 3.3Å; Q147-N151 PolarHBondContact O-N 3.43Å; Q147-N151 PolarHBondContact O-ND2 3.33Å; Q147-N151 PolarHBondContact O-OD1 3.47Å; S148-N151 PolarHBondContact O-N 3.13Å; N151-K155 WeakPolarHBondContact O-CB 3.06Å; N151-K155 VanDerWaalsContact O-CG 3.26Å; N151-K155 WeakPolarHBondContact O-CG 3.18Å; N151-K155 PolarHBondContact O-N 2.76Å; N151-K155 VanDerWaalsContact O-N 3.14Å
152	L	58.8	Low	58.5	Low	106 Å²	106	100.8 Å²	100.8	56%	0.555	53%	0.534	S	S	*	.	H	α-helix	trans	-71.1	-48.2	171.1	-79.5	164.2	0	0	0	111	S148 V149 M150 E154 K155 E156	S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 WeakPolarHBondContact O-CG 3.32Å; S148-L152 PolarHBondContact O-N 3.08Å; V149-L152 WeakPolarHBondContact O-CB 3.45Å; V149-L152 PolarHBondContact O-N 2.88Å; M150-L152 PolarHBondContact O-N 3.17Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 3.4Å; L152-K155 PolarHBondContact O-N 2.67Å; L152-E156 WeakPolarHBondContact O-CB 3.32Å; L152-E156 PolarHBondContact O-N 3.08Å
153	T	59	Low	57.7	Low	79 Å²	79	103.2 Å²	103.2	49%	0.485	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-34.7	177	50.9	0	0	0	0	113.1	V149 M150 E156 A157	V149-T153 PolarHBondContact O-N 2.95Å; V149-T153 PolarHBondContact O-OG1 3.47Å; M150-T153 WeakPolarHBondContact CA-OG1 3.34Å; M150-T153 PolarHBondContact O-N 2.86Å; M150-T153 VanDerWaalsContact O-N 3.07Å; M150-T153 PolarHBondContact O-OG1 2.9Å; T153-E156 PolarHBondContact O-N 3.13Å; T153-A157 WeakPolarHBondContact O-CB 3.3Å; T153-A157 PolarHBondContact O-N 2.73Å
154	E	51.5	Low	56.6	Low	127 Å²	127	106.7 Å²	106.7	59%	0.593	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-40.5	173.6	-72.7	-178.6	175.2	0	0	112	M150 L152 E156 A157 A158	M150-E154 PolarHBondContact O-N 3.27Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 3.4Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E154-A157 PolarHBondContact O-N 2.92Å; E154-A158 VanDerWaalsContact O-CB 3.3Å; E154-A158 WeakPolarHBondContact O-CB 3.43Å; E154-A158 PolarHBondContact O-N 2.83Å
155	K	60.5	Low	55.4	Low	152 Å²	152	104.7 Å²	104.7	66%	0.661	56%	0.558	S	S	*	*	H	α-helix	trans	-66.5	-35.8	173.8	-78.5	176.7	179.7	-178.1	0	112.6	N151 L152 A159	N151-K155 WeakPolarHBondContact O-CB 3.06Å; N151-K155 VanDerWaalsContact O-CG 3.26Å; N151-K155 WeakPolarHBondContact O-CG 3.18Å; N151-K155 PolarHBondContact O-N 2.76Å; N151-K155 VanDerWaalsContact O-N 3.14Å; L152-K155 PolarHBondContact O-N 2.67Å; K155-A159 VanDerWaalsContact O-CB 3.22Å; K155-A159 WeakPolarHBondContact O-CB 3.5Å; K155-A159 PolarHBondContact O-N 3.32Å
156	E	54.2	Low	54.5	Low	132 Å²	132	104.1 Å²	104.1	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-72.6	-37.1	177.1	-164.8	164.9	-138.4	0	0	111.4	L152 T153 E154 N160	L152-E156 WeakPolarHBondContact O-CB 3.32Å; L152-E156 PolarHBondContact O-N 3.08Å; T153-E156 PolarHBondContact O-N 3.13Å; E154-E156 VanDerWaalsContact C-N 3.35Å; E156-N160 PolarHBondContact O-N 2.86Å; E156-N160 PolarHBondContact O-ND2 3.34Å
157	A	45.4	Very low	53.5	Low	58 Å²	58	105.8 Å²	105.8	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-62.1	-50.7	168.7	0	0	0	0	0	111.7	T153 E154 A159 N160 E161	T153-A157 WeakPolarHBondContact O-CB 3.3Å; T153-A157 PolarHBondContact O-N 2.73Å; E154-A157 PolarHBondContact O-N 2.92Å; A157-A159 VanDerWaalsContact C-N 3.34Å; A157-A159 PolarHBondContact O-N 3.41Å; A157-N160 WeakPolarHBondContact O-CB 3.4Å; A157-N160 PolarHBondContact O-N 3.43Å; A157-N160 VanDerWaalsContact O-N 3.13Å; A157-E161 PolarHBondContact O-N 3.35Å
158	A	53.9	Low	52.2	Low	50 Å²	50	104 Å²	104	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-62.3	-38.1	178.6	0	0	0	0	0	112.6	E154 E161 V162	E154-A158 VanDerWaalsContact O-CB 3.3Å; E154-A158 WeakPolarHBondContact O-CB 3.43Å; E154-A158 PolarHBondContact O-N 2.83Å; A158-E161 PolarHBondContact O-N 3.24Å; A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 3.35Å
159	A	53.8	Low	51	Low	54 Å²	54	106 Å²	106	45%	0.446	58%	0.579	S	S	.	*	H	α-helix	trans	-63.7	-41.2	173.8	0	0	0	0	0	111.7	K155 A157 E161 S163	K155-A159 VanDerWaalsContact O-CB 3.22Å; K155-A159 WeakPolarHBondContact O-CB 3.5Å; K155-A159 PolarHBondContact O-N 3.32Å; A157-A159 VanDerWaalsContact C-N 3.34Å; A157-A159 PolarHBondContact O-N 3.41Å; A159-E161 VanDerWaalsContact C-N 3.31Å; A159-E161 PolarHBondContact O-N 2.94Å; A159-S163 VanDerWaalsContact O-CB 3.31Å; A159-S163 WeakPolarHBondContact O-CB 3.14Å; A159-S163 PolarHBondContact O-N 2.92Å; A159-S163 PolarHBondContact O-OG 3.36Å
160	N	50.9	Low	50.1	Low	91 Å²	91	105.9 Å²	105.9	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-66	-32.5	173.4	-82.3	-72.6	0	0	0	112.7	E156 A157 S163 R164	E156-N160 PolarHBondContact O-N 2.86Å; E156-N160 PolarHBondContact O-ND2 3.34Å; A157-N160 WeakPolarHBondContact O-CB 3.4Å; A157-N160 PolarHBondContact O-N 3.43Å; A157-N160 VanDerWaalsContact O-N 3.13Å; N160-S163 PolarHBondContact O-N 3.43Å; N160-R164 WeakPolarHBondContact O-CG 3.43Å; N160-R164 PolarHBondContact O-N 3.22Å; N160-R164 VanDerWaalsContact O-N 3.14Å
161	E	48.7	Very low	49.2	Very low	136 Å²	136	107 Å²	107	64%	0.636	60%	0.595	S	S	*	*	H	α-helix	trans	-75.7	-42.7	179	-162.5	143.1	-119.4	0	0	112.2	A157 A158 A159 S163 R164 A165	A157-E161 PolarHBondContact O-N 3.35Å; A158-E161 PolarHBondContact O-N 3.24Å; A159-E161 VanDerWaalsContact C-N 3.31Å; A159-E161 PolarHBondContact O-N 2.94Å; E161-S163 VanDerWaalsContact C-N 3.28Å; E161-S163 PolarHBondContact O-N 3.26Å; E161-R164 WeakPolarHBondContact O-CA 3.46Å; E161-R164 WeakPolarHBondContact O-CB 3.42Å; E161-R164 PolarHBondContact O-N 2.93Å; E161-A165 PolarHBondContact O-N 3.27Å
162	V	53.1	Low	47.9	Very low	95 Å²	95	110 Å²	110	58%	0.576	61%	0.607	S	S	*	*	H	α-helix	trans	-61	-36.3	168	173	0	0	0	0	111.6	A158 R164 A165 T166	A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 3.35Å; V162-R164 PolarHBondContact O-N 3.01Å; V162-A165 PolarHBondContact O-N 2.75Å; V162-T166 PolarHBondContact O-N 2.94Å; V162-T166 VanDerWaalsContact O-N 3.13Å; V162-T166 PolarHBondContact O-OG1 3.09Å
163	S	48.6	Very low	47	Very low	76 Å²	76	112.5 Å²	112.5	53%	0.531	61%	0.613	S	S	.	*	H	α-helix	trans	-69	-17.4	173.8	-55.9	0	0	0	0	113.6	A159 N160 E161 T166	A159-S163 VanDerWaalsContact O-CB 3.31Å; A159-S163 WeakPolarHBondContact O-CB 3.14Å; A159-S163 PolarHBondContact O-N 2.92Å; A159-S163 PolarHBondContact O-OG 3.36Å; N160-S163 PolarHBondContact O-N 3.43Å; E161-S163 VanDerWaalsContact C-N 3.28Å; E161-S163 PolarHBondContact O-N 3.26Å; S163-T166 PolarHBondContact O-OG1 2.84Å
164	R	42.3	Very low	46	Very low	188 Å²	188	114 Å²	114	71%	0.709	63%	0.627	S	S	*	*	H	α-helix	trans	-88.5	-44.5	169.9	-74.6	172.2	174.7	157.2	0.7	111.2	N160 E161 V162 T166 R167	N160-R164 WeakPolarHBondContact O-CG 3.43Å; N160-R164 PolarHBondContact O-N 3.22Å; N160-R164 VanDerWaalsContact O-N 3.14Å; E161-R164 WeakPolarHBondContact O-CA 3.46Å; E161-R164 WeakPolarHBondContact O-CB 3.42Å; E161-R164 PolarHBondContact O-N 2.93Å; V162-R164 PolarHBondContact O-N 3.01Å; R164-T166 PolarHBondContact O-N 2.74Å; R164-R167 PolarHBondContact O-N 3.02Å; R164-R167 VanDerWaalsContact O-N 3.13Å
165	A	45.6	Very low	45.5	Very low	83 Å²	83	113.6 Å²	113.6	69%	0.686	63%	0.628	S	S	*	*	H	α-helix	trans	-62.8	-23.1	-179.2	0	0	0	0	0	114.1	E161 V162 R167	E161-A165 PolarHBondContact O-N 3.27Å; V162-A165 PolarHBondContact O-N 2.75Å; A165-R167 VanDerWaalsContact C-N 3.3Å; A165-R167 PolarHBondContact O-N 3.11Å
166	T	47.2	Very low	44.5	Very low	105 Å²	105	111.3 Å²	111.3	64%	0.644	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-6.1	176.6	39.4	0	0	0	0	114.5	V162 S163 R164 S168	V162-T166 PolarHBondContact O-N 2.94Å; V162-T166 VanDerWaalsContact O-N 3.13Å; V162-T166 PolarHBondContact O-OG1 3.09Å; S163-T166 PolarHBondContact O-OG1 2.84Å; R164-T166 PolarHBondContact O-N 2.74Å; T166-S168 PolarHBondContact O-N 3.37Å; T166-S168 VanDerWaalsContact O-N 3.13Å
167	R	38.3	Very low	43.5	Very low	214 Å²	214	114 Å²	114	81%	0.808	64%	0.639	S	S	*	*	S	Bend	trans	-83.9	85.6	175.3	-80.9	-173.7	164.4	-178.2	-4.1	113	R164 A165	R164-R167 PolarHBondContact O-N 3.02Å; R164-R167 VanDerWaalsContact O-N 3.13Å; A165-R167 VanDerWaalsContact C-N 3.3Å; A165-R167 PolarHBondContact O-N 3.11Å
168	S	37.5	Very low	42.9	Very low	91 Å²	91	113.9 Å²	113.9	64%	0.636	64%	0.643	S	S	*	*			trans	60.1	88.5	158.6	53.4	0	0	0	0	117.1	T166 A170	T166-S168 PolarHBondContact O-N 3.37Å; T166-S168 VanDerWaalsContact O-N 3.13Å; S168-A170 PolarHBondContact O-N 2.98Å
169	P	37.9	Very low	41.9	Very low	100 Å²	100	118.7 Å²	118.7	65%	0.649	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	37.6	-175.7	34.9	-38.8	0	0	0	114.7
170	A	40.6	Very low	41.1	Very low	86 Å²	86	128.1 Å²	128.1	71%	0.711	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-26.3	-175.4	0	0	0	0	0	114	S168	S168-A170 PolarHBondContact O-N 2.98Å
171	L	39.3	Very low	40.2	Very low	145 Å²	145	132.9 Å²	132.9	76%	0.759	71%	0.708	S	S	*	*	S	Bend	trans	-92.1	-22.5	-173.6	-91.7	158.9	0	0	0	114.7
172	E	39.1	Very low	39.6	Very low	143 Å²	143	131.4 Å²	131.4	67%	0.668	71%	0.71	S	S	*	*	S	Bend	trans	-80.7	-27.6	-173.9	-112.7	172	171.5	0	0	114.2	S174 I175 T176	E172-S174 PolarHBondContact O-N 3.31Å; E172-I175 PolarHBondContact O-N 2.92Å; E172-T176 PolarHBondContact O-N 3.33Å; E172-T176 PolarHBondContact O-OG1 2.87Å
173	K	40.6	Very low	38.4	Very low	158 Å²	158	132.5 Å²	132.5	69%	0.687	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-18.8	-178.4	-68.1	-175.8	177.9	-179.9	0	113.8
174	S	37.1	Very low	37.5	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-5.6	178.6	-169.8	0	0	0	0	114	E172	E172-S174 PolarHBondContact O-N 3.31Å
175	I	40.3	Very low	36.8	Very low	120 Å²	120	136 Å²	136	62%	0.615	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-17.7	-173.6	-62.9	173.2	0	0	0	111.5	E172	E172-I175 PolarHBondContact O-N 2.92Å
176	T	39.4	Very low	36.1	Very low	104 Å²	104	140.1 Å²	140.1	64%	0.638	73%	0.734	S	S	*	*	S	Bend	trans	-100.4	3.1	-172.6	46.4	0	0	0	0	114.9	E172 G178	E172-T176 PolarHBondContact O-N 3.33Å; E172-T176 PolarHBondContact O-OG1 2.87Å; T176-G178 VanDerWaalsContact C-N 3.32Å; T176-G178 PolarHBondContact O-N 3.42Å
177	Q	35	Very low	35.5	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	74%	0.735	S	S	*	*	S	Bend	trans	-88.4	9.1	-177.5	-154	169.7	1.9	0	0	114.1
178	G	31.9	Very low	35.3	Very low	55 Å²	55	134 Å²	134	57%	0.567	73%	0.733	S	S	*	*	S	Bend	trans	-117.8	134.9	179.3	0	0	0	0	0	113.8	T176	T176-G178 VanDerWaalsContact C-N 3.32Å; T176-G178 PolarHBondContact O-N 3.42Å
179	V	33.8	Very low	35.2	Very low	152 Å²	152	137.1 Å²	137.1	92%	0.921	74%	0.741	S	S	*	*			trans	65.2	89.8	166.5	-166.2	0	0	0	0	116.6
180	R	35.6	Very low	35.1	Very low	251 Å²	251	138.4 Å²	138.4	95%	0.947	75%	0.749	S	S	*	*			trans	-91	134.2	157.9	-114.8	177	174.6	162.3	-3.8	110.6
181	K	32.8	Very low	34.5	Very low	192 Å²	192	138.8 Å²	138.8	84%	0.835	75%	0.752	S	S	*	*			trans	-37.1	170.5	157.4	-93	-178.3	177.4	-179.2	0	116.3
182	P	35.1	Very low	34.1	Very low	104 Å²	104	138.4 Å²	138.4	68%	0.675	76%	0.756	S	S	*	*			cis	-149.7	-171.1	-17.3	42	-21.3	0	0	0	117.4
183	T	28.1	Very low	33.5	Very low	119 Å²	119	138.9 Å²	138.9	73%	0.73	76%	0.763	S	S	*	*			trans	52.8	136.6	149.9	-16.7	0	0	0	0	124.6
184	E	30.2	Very low	33.1	Very low	137 Å²	137	139.7 Å²	139.7	64%	0.64	77%	0.773	S	S	*	*				128.4	146	117.7	-137.7	177.9	-93.9	0	0	119
185	R	27.8	Very low	32.7	Very low	200 Å²	200	140.9 Å²	140.9	76%	0.755	77%	0.771	S	S	*	*			trans	78.8	115.8	166.9	-51.7	-174.5	-170.7	-159.8	-4.6	116.6
186	L	31.8	Very low	32.1	Very low	170 Å²	170	141.8 Å²	141.8	89%	0.89	78%	0.776	S	S	*	*				82.5	150.9	62.2	-72	172.5	0	0	0	113.1
187	A	32.6	Very low	31.6	Very low	79 Å²	79	142.3 Å²	142.3	65%	0.653	78%	0.782	S	S	*	*			cis	-179.5	-175.6	-27.5	0	0	0	0	0	110
188	S	35.4	Very low	31.1	Very low	112 Å²	112	139 Å²	139	78%	0.783	77%	0.773	S	S	*	*			trans	90.9	154	177.1	77.6	0	0	0	0	116.6
189	I	35.4	Very low	30.9	Very low	156 Å²	156	146.1 Å²	146.1	80%	0.8	79%	0.789	S	S	*	*			cis	-130.4	-162.6	14.1	-23.1	178	0	0	0	112.1
190	P	36.3	Very low	30.6	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	78%	0.778	S	S	*	*				-117.3	-167.4	-119.8	44.6	-27.7	0	0	0	117.3
191	A	26.6	Very low	30.1	Very low	94 Å²	94	142.1 Å²	142.1	78%	0.777	77%	0.77	S	S	*	*			trans	-120.1	-179.2	-179	0	0	0	0	0	113.8
192	V	32.4	Very low	29.9	Very low	137 Å²	137	141.1 Å²	141.1	83%	0.83	77%	0.768	S	S	*	*			trans	-144.9	137.6	178	178.8	0	0	0	0	110.8
193	D	26.1	Very low	29.4	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	77%	0.772	S	S	*	*			trans	-109.6	155.6	177.9	-64.4	-64	0	0	0	113.2
194	I	31.1	Very low	29.4	Very low	175 Å²	175	150 Å²	150	90%	0.897	78%	0.782	S	S	*	*			trans	-144.6	146	163	-58.1	-176.4	0	0	0	108.8
195	D	28.8	Very low	29.3	Very low	135 Å²	135	149.9 Å²	149.9	72%	0.722	79%	0.79	S	S	*	*			trans	-136.5	146.4	-154.2	-154.1	4.8	0	0	0	115.3
196	L	28	Very low	29.5	Very low	139 Å²	139	152.4 Å²	152.4	73%	0.728	80%	0.8	S	S	*	*			trans	57.9	176.4	159.5	-77	159.5	0	0	0	119.3
197	P	29.4	Very low	29.3	Very low	115 Å²	115	148.7 Å²	148.7	75%	0.747	79%	0.794	S	S	*	*			cis	-128.3	-168.8	2.4	43.2	-26.2	0	0	0	116.5
198	V	25.1	Very low	29.1	Very low	117 Å²	117	153.2 Å²	153.2	71%	0.709	80%	0.799	S	S	*	*			trans	-117.2	154.5	-173.9	172.7	0	0	0	0	112.8	V200	V198-V200 HydrophobicContact CG1-CG2 4.43Å
199	F	26.9	Very low	28.8	Very low	205 Å²	205	154.7 Å²	154.7	90%	0.899	79%	0.793	S	S	*	*			trans	-140.2	162.7	167.8	-104.2	-87.1	0	0	0	113.5
200	V	26.4	Very low	28.5	Very low	112 Å²	112	158 Å²	158	68%	0.679	80%	0.796	S	S	*	*			trans	-143.5	145.4	-156.7	173	0	0	0	0	114.7	V198	V198-V200 HydrophobicContact CG1-CG2 4.43Å
201	R	27.1	Very low	28.2	Very low	208 Å²	208	156.4 Å²	156.4	79%	0.785	79%	0.793	S	S	*	*			trans	69.9	162.9	166.6	-86.9	178.8	177.5	150.8	3.4	117.7
202	E	27.2	Very low	28.6	Very low	170 Å²	170	157.2 Å²	157.2	79%	0.794	79%	0.79	S	S	*	*			cis	-146	179.5	17.2	-150.4	158.2	-121.9	0	0	115.5
203	H	25.3	Very low	28.4	Very low	163 Å²	163	158.3 Å²	158.3	76%	0.755	79%	0.791	S	S	*	*			trans	-90.4	161.8	-169.9	-61.7	-94.8	0	0	0	116.9
204	R	27.9	Very low	28.6	Very low	248 Å²	248	154.7 Å²	154.7	94%	0.936	78%	0.782	S	S	*	*			trans	-163.7	163.8	132.3	-112.9	165.6	-175.5	167	3.9	114.8
205	T	29	Very low	28.7	Very low	133 Å²	133	152.1 Å²	152.1	82%	0.816	78%	0.777	S	S	*	*			trans	-141.2	160.5	-172.3	55.9	0	0	0	0	113.2
206	R	30	Very low	28.6	Very low	253 Å²	253	149.4 Å²	149.4	96%	0.955	77%	0.773	S	S	*	*			trans	-166.7	165.3	154.2	-119.8	178.3	179.7	-169.4	-1.1	114
207	A	28.7	Very low	28.7	Very low	93 Å²	93	147.9 Å²	147.9	77%	0.769	78%	0.78	S	S	*	*			trans	-154.9	159.7	-173.5	0	0	0	0	0	114
208	K	29.1	Very low	28.6	Very low	173 Å²	173	152.2 Å²	152.2	75%	0.752	79%	0.787	S	S	*	*			trans	169.7	167.7	163.6	-102.6	156.1	157.9	-86.4	0	109.7
209	E	29	Very low	28.8	Very low	143 Å²	143	151.3 Å²	151.3	67%	0.668	79%	0.792	S	S	*	*			cis	-144.3	-154.3	11.8	-158.2	80	-123.2	0	0	111.4
210	R	28.2	Very low	29.1	Very low	226 Å²	226	147.6 Å²	147.6	85%	0.853	79%	0.786	S	S	*	*			trans	-128.5	147.6	-160.8	-67.3	168.9	163.6	172.5	-7.9	116.2
211	A	30.6	Very low	29.4	Very low	93 Å²	93	145.7 Å²	145.7	77%	0.769	79%	0.789	S	S	*	*				43.4	-177.8	123.3	0	0	0	0	0	122.4
212	P	34.1	Very low	30.1	Very low	110 Å²	110	143.9 Å²	143.9	71%	0.714	79%	0.787	S	S	*	*			cis	-144	174.8	-5.5	44.3	-25	0	0	0	119.7
213	L	29	Very low	31	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	78%	0.776	S	S	*	*			trans	63	124.5	138.7	-76.2	165.7	0	0	0	128.7
214	A	30.1	Very low	31.7	Very low	76 Å²	76	136.7 Å²	136.7	63%	0.628	76%	0.763	S	S	*	*				64.2	165.4	123.6	0	0	0	0	0	122.7
215	P	33.5	Very low	32.5	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	74%	0.74	S	S	*	*			cis	-125.7	-154	9.7	43.4	-25.7	0	0	0	116.3
216	A	25.3	Very low	33.4	Very low	77 Å²	77	126.5 Å²	126.5	64%	0.636	73%	0.725	S	S	*	*			trans	-156.6	164.9	-171.9	0	0	0	0	0	114.2
217	A	30.1	Very low	34.1	Very low	107 Å²	107	118 Å²	118	88%	0.884	70%	0.698	S	S	*	*			trans	-131	169.8	-178.3	0	0	0	0	0	114
218	K	28.8	Very low	35.4	Very low	206 Å²	206	121.1 Å²	121.1	90%	0.896	69%	0.69	S	S	*	*			trans	-100.7	148.8	-163.5	-65.5	175.2	-179.1	170.2	0	116
219	A	29.2	Very low	36.8	Very low	99 Å²	99	122.6 Å²	122.6	82%	0.818	69%	0.69	S	S	*	*			trans	12.3	151.6	151.1	0	0	0	0	0	124.1
220	V	32.4	Very low	37.8	Very low	127 Å²	127	119.4 Å²	119.4	77%	0.77	68%	0.677	S	S	*	*				-169.9	139.4	125.1	139.9	0	0	0	0	110.1	K222	V220-K222 HydrophobicContact CG1-CG 4.46Å
221	G	32.2	Very low	38.6	Very low	72 Å²	72	115.7 Å²	115.7	74%	0.742	66%	0.663	S	S	*	*			trans	-91.5	135.3	-174.5	0	0	0	0	0	114.8
222	K	42.3	Very low	39.4	Very low	169 Å²	169	114.3 Å²	114.3	74%	0.735	65%	0.646	S	S	*	*			trans	-140.4	16.8	176.7	-64.7	-174.7	177.9	175	0	114.5	V220	V220-K222 HydrophobicContact CG1-CG 4.46Å
223	S	45.5	Very low	39.8	Very low	81 Å²	81	114.8 Å²	114.8	57%	0.566	64%	0.643	S	S	*	*	H	α-helix	trans	-75.8	-33.5	-172.4	45.4	0	0	0	0	114.9	D225 V226 L227	S223-D225 PolarHBondContact O-N 2.8Å; S223-V226 PolarHBondContact O-N 2.76Å; S223-L227 WeakPolarHBondContact O-CG 3.49Å; S223-L227 PolarHBondContact O-N 3.47Å; S223-L227 VanDerWaalsContact O-N 3.11Å
224	E	40.4	Very low	40.3	Very low	101 Å²	101	115.2 Å²	115.2	47%	0.472	63%	0.634	S	S	.	*	H	α-helix	trans	-66	-42.1	-169	-158.6	59	-143.3	0	0	112.9	L227 R228	E224-L227 PolarHBondContact O-N 3.25Å; E224-R228 WeakPolarHBondContact O-CB 3.36Å; E224-R228 PolarHBondContact O-N 2.91Å
225	D	44.8	Very low	40.9	Very low	85 Å²	85	117.2 Å²	117.2	46%	0.455	63%	0.63	S	S	.	*	H	α-helix	trans	-72.8	-29	178.9	-70.6	-37.1	0	0	0	113.1	S223 R228 R229	S223-D225 PolarHBondContact O-N 2.8Å; D225-R228 PolarHBondContact O-N 3.21Å; D225-R228 IonicContact OD1-CZ 3.08Å; D225-R228 VanDerWaalsContact OD1-CZ 3.23Å; D225-R228 IonicContact OD1-NE 3.47Å; D225-R228 IonicContact OD1-NH1 3.39Å; D225-R228 PolarHBondContact OD1-NH1 3.25Å; D225-R228 IonicContact OD1-NH2 2.74Å; D225-R228 PolarHBondContact OD1-NH2 2.99Å; D225-R229 WeakPolarHBondContact O-CB 3.36Å; D225-R229 VanDerWaalsContact O-CG 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.36Å; D225-R229 PolarHBondContact O-N 3.06Å
226	V	48.1	Very low	41.2	Very low	83 Å²	83	114.5 Å²	114.5	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-65.4	-43.4	172	178.4	0	0	0	0	109.7	S223 R229 I230	S223-V226 PolarHBondContact O-N 2.76Å; V226-R229 PolarHBondContact O-N 2.9Å; V226-I230 HydrophobicContact CG1-CD1 3.76Å; V226-I230 WeakPolarHBondContact O-CD1 3.43Å; V226-I230 VanDerWaalsContact O-CG1 3.27Å; V226-I230 WeakPolarHBondContact O-CG1 3.4Å; V226-I230 PolarHBondContact O-N 3.48Å; V226-I230 VanDerWaalsContact O-N 3.16Å
227	L	45.2	Very low	41.9	Very low	74 Å²	74	120.9 Å²	120.9	39%	0.387	62%	0.622	S	S	.	*	H	α-helix	trans	-64.8	-40.2	173.9	-68.2	170	0	0	0	112	S223 E224 R229 I230 R231	S223-L227 WeakPolarHBondContact O-CG 3.49Å; S223-L227 PolarHBondContact O-N 3.47Å; S223-L227 VanDerWaalsContact O-N 3.11Å; E224-L227 PolarHBondContact O-N 3.25Å; L227-R229 VanDerWaalsContact C-N 3.34Å; L227-R229 PolarHBondContact O-N 3.12Å; L227-I230 PolarHBondContact O-N 2.93Å; L227-R231 PolarHBondContact O-N 3.35Å
228	R	55.8	Low	42.3	Very low	158 Å²	158	119 Å²	119	60%	0.596	61%	0.607	S	S	*	*	H	α-helix	trans	-62.7	-37.1	176.8	-134.6	-179.9	-65.1	164.6	4.3	112.4	E224 D225	E224-R228 WeakPolarHBondContact O-CB 3.36Å; E224-R228 PolarHBondContact O-N 2.91Å; D225-R228 PolarHBondContact O-N 3.21Å; D225-R228 IonicContact OD1-CZ 3.08Å; D225-R228 VanDerWaalsContact OD1-CZ 3.23Å; D225-R228 IonicContact OD1-NE 3.47Å; D225-R228 IonicContact OD1-NH1 3.39Å; D225-R228 PolarHBondContact OD1-NH1 3.25Å; D225-R228 IonicContact OD1-NH2 2.74Å; D225-R228 PolarHBondContact OD1-NH2 2.99Å
229	R	58.6	Low	42.9	Very low	204 Å²	204	113.8 Å²	113.8	77%	0.77	60%	0.596	S	S	*	*	H	α-helix	trans	-74.5	-29.8	176.6	-72.6	175.9	-174.2	-168	2.9	114.2	D225 V226 L227	D225-R229 WeakPolarHBondContact O-CB 3.36Å; D225-R229 VanDerWaalsContact O-CG 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.36Å; D225-R229 PolarHBondContact O-N 3.06Å; V226-R229 PolarHBondContact O-N 2.9Å; L227-R229 VanDerWaalsContact C-N 3.34Å; L227-R229 PolarHBondContact O-N 3.12Å
230	I	50.3	Low	43.4	Very low	77 Å²	77	116.8 Å²	116.8	40%	0.395	59%	0.591	S	S	.	*	H	α-helix	trans	-85.5	-32.4	-175.3	-66.9	167.5	0	0	0	112.5	V226 L227 L233 Y234	V226-I230 HydrophobicContact CG1-CD1 3.76Å; V226-I230 WeakPolarHBondContact O-CD1 3.43Å; V226-I230 VanDerWaalsContact O-CG1 3.27Å; V226-I230 WeakPolarHBondContact O-CG1 3.4Å; V226-I230 PolarHBondContact O-N 3.48Å; V226-I230 VanDerWaalsContact O-N 3.16Å; L227-I230 PolarHBondContact O-N 2.93Å; I230-L233 WeakPolarHBondContact O-CB 3.46Å; I230-L233 PolarHBondContact O-N 3.4Å; I230-L233 VanDerWaalsContact O-N 3.09Å; I230-Y234 HydrophobicContact CG2-CD2 3.97Å; I230-Y234 HydrophobicContact CG2-CE2 3.81Å
231	R	44.7	Very low	43.7	Very low	147 Å²	147	117.1 Å²	117.1	56%	0.555	59%	0.588	S	S	*	*	H	α-helix	trans	-50.2	-48.3	-175.4	-167.1	-179	-59.5	178.4	3.1	114.3	L227 L233 Y234 E235	L227-R231 PolarHBondContact O-N 3.35Å; R231-L233 PolarHBondContact O-N 3.05Å; R231-L233 VanDerWaalsContact O-N 3.16Å; R231-Y234 PolarHBondContact O-N 3.32Å; R231-E235 WeakPolarHBondContact CG-OE1 3.39Å; R231-E235 PolarHBondContact O-N 3.02Å
232	P	48.2	Very low	44	Very low	64 Å²	64	121 Å²	121	42%	0.416	59%	0.591	S	S	.	*	H	α-helix	trans	-64.3	-24.4	-177.8	-21.9	34.8	0	0	0	114.3	Y234 S236	P232-Y234 VanDerWaalsContact C-N 3.34Å; P232-S236 WeakPolarHBondContact O-CB 3.46Å; P232-S236 PolarHBondContact O-N 2.92Å; P232-S236 PolarHBondContact O-OG 2.78Å
233	L	42	Very low	43.7	Very low	121 Å²	121	124 Å²	124	63%	0.634	60%	0.598	S	S	*	*	H	α-helix	trans	-73	-27.1	-176.9	-62.4	175.3	0	0	0	112.8	I230 R231	I230-L233 WeakPolarHBondContact O-CB 3.46Å; I230-L233 PolarHBondContact O-N 3.4Å; I230-L233 VanDerWaalsContact O-N 3.09Å; R231-L233 PolarHBondContact O-N 3.05Å; R231-L233 VanDerWaalsContact O-N 3.16Å
234	Y	38.3	Very low	43.3	Very low	170 Å²	170	125 Å²	125	67%	0.667	60%	0.604	S	S	*	*	H	α-helix	trans	-85.5	-43.4	175.7	-79.3	-89.3	0	0	0	111.7	I230 R231 P232 S236 R237	I230-Y234 HydrophobicContact CG2-CD2 3.97Å; I230-Y234 HydrophobicContact CG2-CE2 3.81Å; R231-Y234 PolarHBondContact O-N 3.32Å; P232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-S236 VanDerWaalsContact C-N 3.33Å; Y234-S236 PolarHBondContact O-N 2.7Å; Y234-R237 PolarHBondContact O-N 3.29Å
235	E	43.5	Very low	43	Very low	117 Å²	117	132 Å²	132	55%	0.547	63%	0.627	S	S	.	*	H	α-helix	trans	-62.8	-38.5	177.9	-68.8	163.3	166.9	0	0	111.6	R231 R237 A238	R231-E235 WeakPolarHBondContact CG-OE1 3.39Å; R231-E235 PolarHBondContact O-N 3.02Å; E235-R237 PolarHBondContact O-N 3.2Å; E235-R237 VanDerWaalsContact O-N 3.1Å; E235-A238 PolarHBondContact O-N 3.29Å
236	S	40.3	Very low	42.3	Very low	65 Å²	65	133.3 Å²	133.3	46%	0.455	64%	0.642	S	S	.	*	H	α-helix	trans	-62.5	-17.5	-179.7	-68	0	0	0	0	115.8	P232 Y234	P232-S236 WeakPolarHBondContact O-CB 3.46Å; P232-S236 PolarHBondContact O-N 2.92Å; P232-S236 PolarHBondContact O-OG 2.78Å; Y234-S236 VanDerWaalsContact C-N 3.33Å; Y234-S236 PolarHBondContact O-N 2.7Å
237	R	39.7	Very low	41.6	Very low	211 Å²	211	133.7 Å²	133.7	80%	0.796	65%	0.654	S	S	*	*	H	α-helix	trans	-91.5	-23.2	-178.5	-83.8	-174.7	168	-174.5	-3.2	114.1	Y234 E235	Y234-R237 PolarHBondContact O-N 3.29Å; E235-R237 PolarHBondContact O-N 3.2Å; E235-R237 VanDerWaalsContact O-N 3.1Å
238	A	39	Very low	41	Very low	69 Å²	69	139.4 Å²	139.4	57%	0.57	68%	0.676	S	S	*	*	H	α-helix	trans	-69.8	-45.3	177.4	0	0	0	0	0	111.7	E235 K240	E235-A238 PolarHBondContact O-N 3.29Å; A238-K240 PolarHBondContact O-N 3.41Å
239	S	39.9	Very low	40	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-9.4	-167.1	-43.7	0	0	0	0	115.7
240	K	40.1	Very low	38.6	Very low	162 Å²	162	132.5 Å²	132.5	70%	0.704	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-15.7	-171.9	-76	-176.6	175.1	178.1	0	115.4	A238	A238-K240 PolarHBondContact O-N 3.41Å
241	N	39.3	Very low	37.7	Very low	134 Å²	134	137 Å²	137	72%	0.717	71%	0.707	S	S	*	*	S	Bend	trans	-95.5	-8.3	-176.8	-75.2	-7.6	0	0	0	115
242	L	38.3	Very low	37.3	Very low	154 Å²	154	134.6 Å²	134.6	81%	0.806	72%	0.719	S	S	*	*	S	Bend	trans	-85.5	-10.9	-180	-91.2	72.5	0	0	0	114.5
243	R	36.1	Very low	36.5	Very low	232 Å²	232	139.2 Å²	139.2	88%	0.875	74%	0.741	S	S	*	*	S	Bend	trans	-105.9	16.7	-164.1	-142.7	-179.6	-170.5	-170	2.9	115.8
244	S	37.3	Very low	36	Very low	100 Å²	100	142.4 Å²	142.4	70%	0.699	75%	0.75	S	S	*	*	S	Bend	trans	-133.9	13.3	-168.8	52.7	0	0	0	0	115.3
245	R	33.5	Very low	35.7	Very low	249 Å²	249	144.6 Å²	144.6	94%	0.94	76%	0.758	S	S	*	*	S	Bend	trans	-135.8	43	-177.2	-132.1	176.5	-175.9	-170.5	-1.4	114.9
246	S	31.1	Very low	35.2	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	77%	0.774	S	S	*	*			trans	-138.2	36.6	-178.9	51.3	0	0	0	0	113.7
247	A	31.8	Very low	34.8	Very low	92 Å²	92	145.8 Å²	145.8	76%	0.76	79%	0.787	S	S	*	*			trans	-151.6	71.1	-178.1	0	0	0	0	0	114.8
248	K	33.3	Very low	34.7	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	78%	0.783	S	S	*	*			trans	-180	114.5	148.5	-98.7	156.1	-174	-177	0	107.4
249	V	34.7	Very low	34.6	Very low	132 Å²	132	146.4 Å²	146.4	80%	0.8	80%	0.798	S	S	*	*				60.1	87.5	74.5	179.7	0	0	0	0	108.2
250	A	30.3	Very low	34.4	Very low	86 Å²	86	150.8 Å²	150.8	71%	0.711	80%	0.802	S	S	*	*				86	157.5	82.6	0	0	0	0	0	111.8
251	D	30.6	Very low	35	Very low	170 Å²	170	147.9 Å²	147.9	91%	0.909	79%	0.794	S	S	*	*			trans	61.7	72.8	-167.9	-65.4	-17.9	0	0	0	115.8
252	A	37	Very low	35.4	Very low	97 Å²	97	146.8 Å²	146.8	80%	0.802	79%	0.786	S	S	*	*			trans	-150.6	59.4	164.6	0	0	0	0	0	112.5	F254	A252-F254 PolarHBondContact O-N 3.13Å
253	N	31.3	Very low	36.2	Very low	162 Å²	162	147.2 Å²	147.2	87%	0.866	78%	0.784	S	S	*	*			trans	-69.5	111.2	167.2	-79.9	-27.9	0	0	0	109.6
254	F	31	Very low	37.3	Very low	188 Å²	188	139.6 Å²	139.6	83%	0.825	77%	0.765	S	S	*	*			trans	170.3	153.9	138.9	-110.4	-96.6	0	0	0	109.8	A252	A252-F254 PolarHBondContact O-N 3.13Å
255	Y	31.1	Very low	38	Very low	216 Å²	216	138 Å²	138	85%	0.847	75%	0.749	S	S	*	*			trans	73.3	126.8	-176.6	-70.2	-85.5	0	0	0	118.2	G257	Y255-G257 PolarHBondContact O-N 2.8Å
256	P	32.9	Very low	39.3	Very low	134 Å²	134	130.7 Å²	130.7	87%	0.87	73%	0.729	S	S	*	*			trans	-83.8	92.8	173.2	33.5	-32.5	0	0	0	111.4
257	G	33.4	Very low	40.9	Very low	72 Å²	72	127.7 Å²	127.7	74%	0.742	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-93.2	128.9	166.6	0	0	0	0	0	111	Y255 H259	Y255-G257 PolarHBondContact O-N 2.8Å; G257-H259 PolarHBondContact O-N 2.89Å
258	S	36.9	Very low	42.1	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-67.2	128.5	-179.4	47.9	0	0	0	0	112	Y260	S258-Y260 PolarHBondContact O-N 3.22Å
259	H	35.9	Very low	43.1	Very low	193 Å²	193	117 Å²	117	89%	0.894	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-71.4	126.6	177.1	-141	-81.4	0	0	0	109.7	G257	G257-H259 PolarHBondContact O-N 2.89Å
260	Y	37.2	Very low	44.5	Very low	188 Å²	188	114.2 Å²	114.2	74%	0.737	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-78.1	128.9	176.1	-70.4	-93.2	0	0	0	110.5	S258 M262	S258-Y260 PolarHBondContact O-N 3.22Å; Y260-M262 PolarHBondContact O-N 3.28Å
261	D	51.7	Low	46.3	Very low	100 Å²	100	115.9 Å²	115.9	54%	0.535	62%	0.621	S	S	.	*			trans	-73.5	99.4	163	170.9	8.7	0	0	0	108.9	E263 S264	D261-E263 PolarHBondContact OD1-N 3.36Å; D261-E263 VanDerWaalsContact OD1-N 3.08Å; D261-S264 PolarHBondContact OD1-N 2.82Å; D261-S264 WeakPolarHBondContact OD2-CB 3.36Å
262	M	47.4	Very low	47.4	Very low	112 Å²	112	110.2 Å²	110.2	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-74.4	-30.5	179.8	-66.9	-65.3	-70.2	0	0	112.4	Y260 L265 D266	Y260-M262 PolarHBondContact O-N 3.28Å; M262-L265 PolarHBondContact O-N 2.93Å; M262-D266 PolarHBondContact O-N 2.96Å
263	E	55.8	Low	48.3	Very low	163 Å²	163	111.8 Å²	111.8	76%	0.762	58%	0.575	S	S	*	*	H	α-helix	trans	-72.1	-38.7	-172.3	-60.1	-173.4	173.4	0	0	111.2	D261 L265 S267	D261-E263 PolarHBondContact OD1-N 3.36Å; D261-E263 VanDerWaalsContact OD1-N 3.08Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-S267 VanDerWaalsContact O-CB 3.28Å; E263-S267 WeakPolarHBondContact O-CB 3.19Å; E263-S267 PolarHBondContact O-N 3.31Å
264	S	59.7	Low	49.9	Very low	71 Å²	71	109.8 Å²	109.8	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-64.3	-37.3	171.8	-176.1	0	0	0	0	112.4	D261 A268	D261-S264 PolarHBondContact OD1-N 2.82Å; D261-S264 WeakPolarHBondContact OD2-CB 3.36Å; S264-A268 WeakPolarHBondContact O-CB 3.48Å; S264-A268 PolarHBondContact O-N 3.48Å
265	L	50.8	Low	51	Low	67 Å²	67	108.5 Å²	108.5	35%	0.351	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-48.7	176.3	-177.5	61.6	0	0	0	111.7	M262 E263 S267 A268 I269 E550	M262-L265 PolarHBondContact O-N 2.93Å; E263-L265 VanDerWaalsContact C-N 3.34Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.5Å; L265-A268 WeakPolarHBondContact O-CB 3.48Å; L265-A268 PolarHBondContact O-N 3.08Å; L265-A268 VanDerWaalsContact O-N 3.1Å; L265-I269 HydrophobicContact CD1-CD1 4.18Å; L265-I269 HydrophobicContact CD1-CG1 4.41Å; L265-I269 HydrophobicContact CG-CD1 3.93Å; L265-I269 WeakPolarHBondContact O-CG1 3.37Å; L265-I269 PolarHBondContact O-N 3.35Å; L265-E550 HydrophobicContact CD1-CG 4.47Å
266	D	61.6	Low	51.5	Low	96 Å²	96	103.8 Å²	103.8	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-61.6	-39.3	176	-83.4	-30	0	0	0	111.5	M262 A268 I269 E270	M262-D266 PolarHBondContact O-N 2.96Å; D266-A268 VanDerWaalsContact C-N 3.32Å; D266-A268 PolarHBondContact O-N 3.44Å; D266-I269 PolarHBondContact O-N 2.9Å; D266-E270 VanDerWaalsContact O-CB 3.3Å; D266-E270 WeakPolarHBondContact O-CB 3.37Å; D266-E270 PolarHBondContact O-N 3.48Å
267	S	64.8	Low	52.2	Low	49 Å²	49	104.7 Å²	104.7	34%	0.343	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-38.9	173	-164	0	0	0	0	112.4	E263 L265 K271	E263-S267 VanDerWaalsContact O-CB 3.28Å; E263-S267 WeakPolarHBondContact O-CB 3.19Å; E263-S267 PolarHBondContact O-N 3.31Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.5Å; S267-K271 WeakPolarHBondContact O-CB 3.46Å; S267-K271 WeakPolarHBondContact O-CD 3.36Å; S267-K271 WeakPolarHBondContact O-CG 3.25Å; S267-K271 PolarHBondContact O-N 3.07Å; S267-K271 PolarHBondContact OG-NZ 2.86Å
268	A	56	Low	52.8	Low	33 Å²	33	106.6 Å²	106.6	27%	0.273	51%	0.513	S	S	.	.	H	α-helix	trans	-70.8	-45.3	177	0	0	0	0	0	112.1	S264 L265 D266 E270 K271 I272	S264-A268 WeakPolarHBondContact O-CB 3.48Å; S264-A268 PolarHBondContact O-N 3.48Å; L265-A268 WeakPolarHBondContact O-CB 3.48Å; L265-A268 PolarHBondContact O-N 3.08Å; L265-A268 VanDerWaalsContact O-N 3.1Å; D266-A268 VanDerWaalsContact C-N 3.32Å; D266-A268 PolarHBondContact O-N 3.44Å; A268-E270 VanDerWaalsContact C-N 3.32Å; A268-E270 PolarHBondContact O-N 3.4Å; A268-K271 PolarHBondContact O-N 2.85Å; A268-I272 WeakPolarHBondContact O-CG1 3.39Å; A268-I272 PolarHBondContact O-N 2.8Å
269	I	55.7	Low	53	Low	28 Å²	28	108.7 Å²	108.7	14%	0.144	52%	0.516	C	S	.	.	H	α-helix	trans	-58.3	-45.6	175.5	-70.1	168.6	0	0	0	110	L265 D266 I272 R273	L265-I269 HydrophobicContact CD1-CD1 4.18Å; L265-I269 HydrophobicContact CD1-CG1 4.41Å; L265-I269 HydrophobicContact CG-CD1 3.93Å; L265-I269 WeakPolarHBondContact O-CG1 3.37Å; L265-I269 PolarHBondContact O-N 3.35Å; D266-I269 PolarHBondContact O-N 2.9Å; I269-I272 PolarHBondContact O-N 3.48Å; I269-I272 VanDerWaalsContact O-N 3.16Å; I269-R273 HydrophobicContact CG2-CG 4.43Å; I269-R273 WeakPolarHBondContact O-CG 3.22Å; I269-R273 PolarHBondContact O-N 3.23Å
270	E	64.2	Low	53.1	Low	73 Å²	73	103.9 Å²	103.9	34%	0.341	50%	0.495	S	S	.	.	H	α-helix	trans	-69.7	-35.8	-179.6	-168.7	57	-157	0	0	112.4	D266 A268 I272 R273 K274	D266-E270 VanDerWaalsContact O-CB 3.3Å; D266-E270 WeakPolarHBondContact O-CB 3.37Å; D266-E270 PolarHBondContact O-N 3.48Å; A268-E270 VanDerWaalsContact C-N 3.32Å; A268-E270 PolarHBondContact O-N 3.4Å; E270-I272 VanDerWaalsContact C-N 3.26Å; E270-I272 PolarHBondContact O-N 2.83Å; E270-R273 PolarHBondContact O-N 2.67Å; E270-R273 WeakPolarHBondContact OE2-CD 3Å; E270-R273 IonicContact OE2-NH1 3.94Å; E270-R273 PolarHBondContact OE2-NH1 3.43Å; E270-K274 HydrophobicContact CG-CD 4.49Å; E270-K274 WeakPolarHBondContact O-CB 3.48Å; E270-K274 WeakPolarHBondContact O-CG 3.43Å; E270-K274 PolarHBondContact O-N 2.98Å; E270-K274 VanDerWaalsContact OE1-CE 3.22Å; E270-K274 WeakPolarHBondContact OE1-CE 3.42Å
271	K	67.2	Low	53.1	Low	121 Å²	121	95.5 Å²	95.5	53%	0.526	47%	0.466	S	S	.	.	H	α-helix	trans	-68.4	-19.5	170.9	-76.2	165.2	-177.3	149	0	114	S267 A268 R275	S267-K271 WeakPolarHBondContact O-CB 3.46Å; S267-K271 WeakPolarHBondContact O-CD 3.36Å; S267-K271 WeakPolarHBondContact O-CG 3.25Å; S267-K271 PolarHBondContact O-N 3.07Å; S267-K271 PolarHBondContact OG-NZ 2.86Å; A268-K271 PolarHBondContact O-N 2.85Å; K271-R275 PolarHBondContact O-NE 2.87Å
272	I	54.4	Low	52.6	Low	50 Å²	50	95.4 Å²	95.4	26%	0.256	47%	0.471	S	S	.	.	H	α-helix	trans	-88.3	-43.8	172	-66.5	167.6	0	0	0	110	A268 I269 E270 K274 R275 Y276 L546	A268-I272 WeakPolarHBondContact O-CG1 3.39Å; A268-I272 PolarHBondContact O-N 2.8Å; I269-I272 PolarHBondContact O-N 3.48Å; I269-I272 VanDerWaalsContact O-N 3.16Å; E270-I272 VanDerWaalsContact C-N 3.26Å; E270-I272 PolarHBondContact O-N 2.83Å; I272-K274 PolarHBondContact O-N 3.11Å; I272-R275 PolarHBondContact O-N 2.96Å; I272-Y276 WeakPolarHBondContact O-CB 3.38Å; I272-Y276 PolarHBondContact O-N 3.2Å; I272-L546 HydrophobicContact CB-CD2 3.97Å; I272-L546 HydrophobicContact CD1-CD2 3.7Å; I272-L546 HydrophobicContact CG1-CD2 4.45Å; I272-L546 HydrophobicContact CG2-CD2 3.66Å; I272-L546 HydrophobicContact CG2-CG 4.5Å
273	R	55.9	Low	52.3	Low	130 Å²	130	94.2 Å²	94.2	49%	0.491	47%	0.467	S	S	.	.	H	α-helix	trans	-54.3	-52.7	172.9	-77.4	177.2	-179.5	159	3.6	111.4	I269 E270 R275 Y276 F277	I269-R273 HydrophobicContact CG2-CG 4.43Å; I269-R273 WeakPolarHBondContact O-CG 3.22Å; I269-R273 PolarHBondContact O-N 3.23Å; E270-R273 PolarHBondContact O-N 2.67Å; E270-R273 WeakPolarHBondContact OE2-CD 3Å; E270-R273 IonicContact OE2-NH1 3.94Å; E270-R273 PolarHBondContact OE2-NH1 3.43Å; R273-R275 PolarHBondContact O-N 3.16Å; R273-Y276 PolarHBondContact O-N 2.74Å; R273-F277 HydrophobicContact CB-CD2 4.47Å; R273-F277 VanDerWaalsContact O-CD2 3.3Å; R273-F277 WeakPolarHBondContact O-CD2 3.3Å; R273-F277 PolarHBondContact O-N 2.84Å
274	K	63.4	Low	51.6	Low	120 Å²	120	89.2 Å²	89.2	52%	0.522	45%	0.447	S	S	.	.	H	α-helix	trans	-54.9	-55.1	177.6	-74.7	179.2	177.4	177.2	0	110.8	E270 I272 Y276 F277 D278	E270-K274 HydrophobicContact CG-CD 4.49Å; E270-K274 WeakPolarHBondContact O-CB 3.48Å; E270-K274 WeakPolarHBondContact O-CG 3.43Å; E270-K274 PolarHBondContact O-N 2.98Å; E270-K274 VanDerWaalsContact OE1-CE 3.22Å; E270-K274 WeakPolarHBondContact OE1-CE 3.42Å; I272-K274 PolarHBondContact O-N 3.11Å; K274-Y276 PolarHBondContact O-N 2.97Å; K274-Y276 VanDerWaalsContact O-N 3.1Å; K274-F277 CarbonylContact O-C 3.25Å; K274-F277 PolarHBondContact O-N 3.39Å; K274-D278 WeakPolarHBondContact O-CB 3.27Å; K274-D278 PolarHBondContact O-N 3.38Å
275	R	54.6	Low	50.4	Low	161 Å²	161	91 Å²	91	61%	0.608	45%	0.449	S	S	*	.	H	α-helix	trans	-56.5	-31.8	175.7	-81.6	-174.7	-77.8	-170.1	-4.7	114.6	K271 I272 R273 L279	K271-R275 PolarHBondContact O-NE 2.87Å; I272-R275 PolarHBondContact O-N 2.96Å; R273-R275 PolarHBondContact O-N 3.16Å; R275-L279 WeakPolarHBondContact O-CB 3.09Å; R275-L279 WeakPolarHBondContact O-CD1 3.38Å; R275-L279 PolarHBondContact O-N 2.94Å
276	Y	42.5	Very low	49.6	Very low	118 Å²	118	93.1 Å²	93.1	46%	0.463	45%	0.453	S	S	.	.	H	α-helix	trans	-76.3	-39.1	176.2	-144	-84.8	0	0	0	112.3	I272 R273 K274 M280 V542	I272-Y276 WeakPolarHBondContact O-CB 3.38Å; I272-Y276 PolarHBondContact O-N 3.2Å; R273-Y276 PolarHBondContact O-N 2.74Å; K274-Y276 PolarHBondContact O-N 2.97Å; K274-Y276 VanDerWaalsContact O-N 3.1Å; Y276-M280 HydrophobicContact CD1-CG 4.14Å; Y276-M280 HydrophobicContact CE1-CG 4.18Å; Y276-M280 VanDerWaalsContact O-CB 3.23Å; Y276-M280 WeakPolarHBondContact O-CB 3.38Å; Y276-M280 WeakPolarHBondContact O-CG 3.33Å; Y276-M280 PolarHBondContact O-N 3.34Å; Y276-V542 HydrophobicContact CD1-CG2 4.13Å; Y276-V542 HydrophobicContact CD2-CG2 4.41Å; Y276-V542 HydrophobicContact CE1-CG2 3.65Å; Y276-V542 HydrophobicContact CE2-CG2 3.97Å; Y276-V542 HydrophobicContact CG-CG2 4.48Å
277	F	46.3	Very low	48.5	Very low	152 Å²	152	95.5 Å²	95.5	67%	0.667	46%	0.455	S	S	*	.	H	α-helix	trans	-68.7	-32.8	171.5	-82.6	-70.3	0	0	0	112.5	R273 K274 M280 G281	R273-F277 HydrophobicContact CB-CD2 4.47Å; R273-F277 VanDerWaalsContact O-CD2 3.3Å; R273-F277 WeakPolarHBondContact O-CD2 3.3Å; R273-F277 PolarHBondContact O-N 2.84Å; K274-F277 CarbonylContact O-C 3.25Å; K274-F277 PolarHBondContact O-N 3.39Å; F277-M280 CarbonylContact O-C 3.16Å; F277-G281 WeakPolarHBondContact O-CA 3.05Å; F277-G281 PolarHBondContact O-N 3.02Å
278	D	47.5	Very low	47.2	Very low	113 Å²	113	98.7 Å²	98.7	60%	0.604	47%	0.468	S	S	*	.	H	α-helix	trans	-70.2	-43	175.5	-59.9	-35.3	0	0	0	110.8	K274 G281	K274-D278 WeakPolarHBondContact O-CB 3.27Å; K274-D278 PolarHBondContact O-N 3.38Å; D278-G281 PolarHBondContact O-N 2.89Å
279	L	40.4	Very low	46.2	Very low	145 Å²	145	101.1 Å²	101.1	76%	0.759	48%	0.475	S	S	*	.	H	α-helix	trans	-66.6	-38.6	172.8	-102.1	75.1	0	0	0	112.4	R275 G281	R275-L279 WeakPolarHBondContact O-CB 3.09Å; R275-L279 WeakPolarHBondContact O-CD1 3.38Å; R275-L279 PolarHBondContact O-N 2.94Å; L279-G281 PolarHBondContact O-N 3.43Å
280	M	37.4	Very low	45.1	Very low	91 Å²	91	108.5 Å²	108.5	45%	0.448	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	29.2	172.1	-66.7	-76.3	-68.5	0	0	111.5	Y276 F277	Y276-M280 HydrophobicContact CD1-CG 4.14Å; Y276-M280 HydrophobicContact CE1-CG 4.18Å; Y276-M280 VanDerWaalsContact O-CB 3.23Å; Y276-M280 WeakPolarHBondContact O-CB 3.38Å; Y276-M280 WeakPolarHBondContact O-CG 3.33Å; Y276-M280 PolarHBondContact O-N 3.34Å; F277-M280 CarbonylContact O-C 3.16Å
281	G	37.2	Very low	43.7	Very low	13 Å²	13	111.9 Å²	111.9	13%	0.134	52%	0.517	C	S	.	.			trans	-46.9	149.4	-169.5	0	0	0	0	0	112.8	F277 D278 L279 D283 V284	F277-G281 WeakPolarHBondContact O-CA 3.05Å; F277-G281 PolarHBondContact O-N 3.02Å; D278-G281 PolarHBondContact O-N 2.89Å; L279-G281 PolarHBondContact O-N 3.43Å; G281-D283 PolarHBondContact O-N 3.45Å; G281-V284 WeakPolarHBondContact O-CB 3.24Å; G281-V284 PolarHBondContact O-N 2.85Å
282	P	42.7	Very low	42.2	Very low	97 Å²	97	109.6 Å²	109.6	63%	0.63	52%	0.516	S	S	*	.	H	α-helix	trans	-49.3	-38.2	-163.1	14.9	-30.2	0	0	0	113.9	V284 M285 Y286	P282-V284 VanDerWaalsContact C-N 3.26Å; P282-V284 PolarHBondContact O-N 2.97Å; P282-M285 WeakPolarHBondContact O-CB 3.24Å; P282-M285 PolarHBondContact O-N 2.68Å; P282-M285 VanDerWaalsContact O-N 3.11Å; P282-Y286 HydrophobicContact CB-CD2 4.25Å; P282-Y286 HydrophobicContact CB-CE2 4.14Å; P282-Y286 WeakPolarHBondContact O-CD2 3.36Å; P282-Y286 PolarHBondContact O-N 3.27Å
283	D	39.7	Very low	41.3	Very low	88 Å²	88	113.2 Å²	113.2	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-56.2	-32.1	175.4	-132.2	53.2	0	0	0	114.5	G281 R287	G281-D283 PolarHBondContact O-N 3.45Å; D283-R287 VanDerWaalsContact O-CB 3.24Å; D283-R287 WeakPolarHBondContact O-CB 3.36Å; D283-R287 WeakPolarHBondContact O-CG 3.32Å; D283-R287 PolarHBondContact O-N 2.77Å; D283-R287 IonicContact OD2-CZ 2.64Å; D283-R287 VanDerWaalsContact OD2-CZ 3.26Å; D283-R287 IonicContact OD2-NE 2.79Å; D283-R287 PolarHBondContact OD2-NE 3.13Å; D283-R287 IonicContact OD2-NH2 3.28Å; D283-R287 PolarHBondContact OD2-NH2 2.86Å
284	V	41.1	Very low	40	Very low	57 Å²	57	110.7 Å²	110.7	35%	0.345	53%	0.534	S	S	.	.	H	α-helix	trans	-73.7	-37.1	176.6	-177	0	0	0	0	111.2	G281 P282 N288	G281-V284 WeakPolarHBondContact O-CB 3.24Å; G281-V284 PolarHBondContact O-N 2.85Å; P282-V284 VanDerWaalsContact C-N 3.26Å; P282-V284 PolarHBondContact O-N 2.97Å; V284-N288 WeakPolarHBondContact O-CB 3.08Å; V284-N288 PolarHBondContact O-N 2.86Å; V284-N288 VanDerWaalsContact O-N 3.16Å; V284-N288 PolarHBondContact O-ND2 2.93Å
285	M	34.8	Very low	38.3	Very low	110 Å²	110	110.3 Å²	110.3	54%	0.542	54%	0.544	S	S	.	.	H	α-helix	trans	-66.6	-47.8	170	-75.2	-83.4	-77.5	0	0	110.3	P282 R287 N288 I289	P282-M285 WeakPolarHBondContact O-CB 3.24Å; P282-M285 PolarHBondContact O-N 2.68Å; P282-M285 VanDerWaalsContact O-N 3.11Å; M285-R287 PolarHBondContact O-N 2.81Å; M285-N288 PolarHBondContact O-N 3.15Å; M285-I289 VanDerWaalsContact O-CG1 3.32Å; M285-I289 WeakPolarHBondContact O-CG1 3.42Å; M285-I289 PolarHBondContact O-N 2.99Å; M285-I289 VanDerWaalsContact O-N 3.09Å
286	Y	34.4	Very low	37.1	Very low	111 Å²	111	107.7 Å²	107.7	44%	0.435	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-38.8	179.6	-73.2	-61.9	0	0	0	113.4	P282 I289 R290	P282-Y286 HydrophobicContact CB-CD2 4.25Å; P282-Y286 HydrophobicContact CB-CE2 4.14Å; P282-Y286 WeakPolarHBondContact O-CD2 3.36Å; P282-Y286 PolarHBondContact O-N 3.27Å; Y286-I289 PolarHBondContact O-N 3.23Å; Y286-R290 WeakPolarHBondContact O-CB 3.45Å; Y286-R290 WeakPolarHBondContact O-CG 3.31Å; Y286-R290 PolarHBondContact O-N 2.77Å
287	R	38.8	Very low	36.6	Very low	146 Å²	146	110 Å²	110	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-66.8	-43.8	174.9	-75.2	175.3	-158.9	-149.9	6.2	112.3	D283 M285 I289 R290 H291	D283-R287 VanDerWaalsContact O-CB 3.24Å; D283-R287 WeakPolarHBondContact O-CB 3.36Å; D283-R287 WeakPolarHBondContact O-CG 3.32Å; D283-R287 PolarHBondContact O-N 2.77Å; D283-R287 IonicContact OD2-CZ 2.64Å; D283-R287 VanDerWaalsContact OD2-CZ 3.26Å; D283-R287 IonicContact OD2-NE 2.79Å; D283-R287 PolarHBondContact OD2-NE 3.13Å; D283-R287 IonicContact OD2-NH2 3.28Å; D283-R287 PolarHBondContact OD2-NH2 2.86Å; M285-R287 PolarHBondContact O-N 2.81Å; R287-I289 PolarHBondContact O-N 3.24Å; R287-R290 PolarHBondContact O-N 2.78Å; R287-H291 WeakPolarHBondContact O-CB 3.42Å; R287-H291 PolarHBondContact O-CD2 3.32Å; R287-H291 PolarHBondContact O-N 3.26Å
288	N	36	Very low	35.7	Very low	115 Å²	115	110 Å²	110	62%	0.615	57%	0.572	S	S	*	*	H	α-helix	trans	-67.5	-23.4	178.2	-76.7	-55.7	0	0	0	113	V284 M285	V284-N288 WeakPolarHBondContact O-CB 3.08Å; V284-N288 PolarHBondContact O-N 2.86Å; V284-N288 VanDerWaalsContact O-N 3.16Å; V284-N288 PolarHBondContact O-ND2 2.93Å; M285-N288 PolarHBondContact O-N 3.15Å
289	I	35.6	Very low	34.9	Very low	84 Å²	84	111.9 Å²	111.9	43%	0.431	58%	0.58	S	S	.	*	H	α-helix	trans	-77.1	-55.3	169.4	-66.8	165.2	0	0	0	110.1	M285 Y286 R287 H291 S292	M285-I289 VanDerWaalsContact O-CG1 3.32Å; M285-I289 WeakPolarHBondContact O-CG1 3.42Å; M285-I289 PolarHBondContact O-N 2.99Å; M285-I289 VanDerWaalsContact O-N 3.09Å; Y286-I289 PolarHBondContact O-N 3.23Å; R287-I289 PolarHBondContact O-N 3.24Å; I289-H291 PolarHBondContact O-N 2.92Å; I289-S292 WeakPolarHBondContact O-CA 3.44Å; I289-S292 WeakPolarHBondContact O-CB 3.3Å; I289-S292 PolarHBondContact O-N 3.46Å; I289-S292 PolarHBondContact O-OG 3.13Å
290	R	33.6	Very low	34.3	Very low	183 Å²	183	112.2 Å²	112.2	69%	0.691	58%	0.583	S	S	*	*	H	α-helix	trans	-61.1	-38.7	-176.6	-71.5	-179	-175.1	-165.8	3.1	113.7	Y286 R287 S292 E293	Y286-R290 WeakPolarHBondContact O-CB 3.45Å; Y286-R290 WeakPolarHBondContact O-CG 3.31Å; Y286-R290 PolarHBondContact O-N 2.77Å; R287-R290 PolarHBondContact O-N 2.78Å; R290-S292 PolarHBondContact O-N 3.18Å; R290-S292 VanDerWaalsContact O-N 3.16Å; R290-E293 PolarHBondContact O-N 3.41Å; R290-E293 VanDerWaalsContact O-N 3.17Å
291	H	34.9	Very low	33.9	Very low	144 Å²	144	115.8 Å²	115.8	67%	0.667	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-2.2	174	-70.8	-57.2	0	0	0	114.1	R287 I289	R287-H291 WeakPolarHBondContact O-CB 3.42Å; R287-H291 PolarHBondContact O-CD2 3.32Å; R287-H291 PolarHBondContact O-N 3.26Å; I289-H291 PolarHBondContact O-N 2.92Å
292	S	35.7	Very low	33.6	Very low	73 Å²	73	124.7 Å²	124.7	51%	0.51	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	2.6	171.9	76.7	0	0	0	0	113.9	I289 R290	I289-S292 WeakPolarHBondContact O-CA 3.44Å; I289-S292 WeakPolarHBondContact O-CB 3.3Å; I289-S292 PolarHBondContact O-N 3.46Å; I289-S292 PolarHBondContact O-OG 3.13Å; R290-S292 PolarHBondContact O-N 3.18Å; R290-S292 VanDerWaalsContact O-N 3.16Å
293	E	34.2	Very low	33	Very low	127 Å²	127	124.5 Å²	124.5	59%	0.593	65%	0.649	S	S	*	*	S	Bend	trans	-121.9	1.5	-176.3	-66.3	-179.9	152.9	0	0	113.3	R290 P295	R290-E293 PolarHBondContact O-N 3.41Å; R290-E293 VanDerWaalsContact O-N 3.17Å; E293-P295 WeakPolarHBondContact O-CD 3.4Å
294	S	28.1	Very low	32.5	Very low	77 Å²	77	125.6 Å²	125.6	54%	0.538	66%	0.663	S	S	.	*			trans	-98.1	113.8	176.6	57	0	0	0	0	112.3
295	P	29.6	Very low	32.2	Very low	112 Å²	112	128 Å²	128	73%	0.727	69%	0.688	S	S	*	*			trans	-63.2	142.7	163.5	-16.4	30.7	0	0	0	110.1	E293 R297	E293-P295 WeakPolarHBondContact O-CD 3.4Å; P295-R297 PolarHBondContact O-N 3Å
296	A	28.2	Very low	32	Very low	106 Å²	106	130.7 Å²	130.7	88%	0.876	71%	0.705	S	S	*	*			trans	-68.7	125.2	177.3	0	0	0	0	0	111.1
297	R	31.4	Very low	31.9	Very low	167 Å²	167	129.1 Å²	129.1	63%	0.63	72%	0.723	S	S	*	*			trans	-140.9	131.2	158.2	-74.5	-167.3	177.8	169.4	3.2	109.2	P295	P295-R297 PolarHBondContact O-N 3Å
298	D	27.3	Very low	31.4	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	74%	0.74	S	S	*	*			trans	-65.9	154.4	162.2	-46	-84.2	0	0	0	110
299	I	31.3	Very low	31.2	Very low	151 Å²	151	133.3 Å²	133.3	77%	0.774	75%	0.751	S	S	*	*			trans	170.9	111.5	130.9	-88	156.2	0	0	0	109.2
300	N	29.2	Very low	31	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	77%	0.767	S	S	*	*			trans	53.7	154	142	-54.8	-13.3	0	0	0	122.5
301	N	28.2	Very low	30.8	Very low	167 Å²	167	133.6 Å²	133.6	89%	0.893	77%	0.771	S	S	*	*			trans	-70.8	138.5	174.4	-52.9	-53.2	0	0	0	111.1
302	E	30.9	Very low	30.7	Very low	200 Å²	200	130.9 Å²	130.9	94%	0.935	77%	0.774	S	S	*	*			trans	-137.7	149.3	142.3	-125.7	173.8	-149.7	0	0	109.1
303	A	29.4	Very low	30.4	Very low	93 Å²	93	132.4 Å²	132.4	77%	0.769	78%	0.784	S	S	*	*			trans	-135.6	161.1	-169.5	0	0	0	0	0	111.4
304	S	29	Very low	30.1	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	79%	0.787	S	S	*	*			trans	70	90.7	169.2	-176.1	0	0	0	0	117.3
305	A	34.9	Very low	30.3	Very low	106 Å²	106	136.5 Å²	136.5	88%	0.876	80%	0.802	S	S	*	*			trans	-129.5	113.5	145.6	0	0	0	0	0	109.4
306	N	31.5	Very low	30.3	Very low	168 Å²	168	134.9 Å²	134.9	90%	0.898	80%	0.798	S	S	*	*			trans	-81	133.9	171.7	-85.9	-56.9	0	0	0	109.7
307	G	31.7	Very low	30.4	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	79%	0.792	S	S	*	*			trans	-157.1	58.8	-173.7	0	0	0	0	0	114.7
308	K	28.7	Very low	30.5	Very low	208 Å²	208	132.5 Å²	132.5	90%	0.904	80%	0.796	S	S	*	*			trans	-76.7	125.3	161	-76.7	-177.3	178.5	179	0	109.3
309	V	32.6	Very low	30.9	Very low	140 Å²	140	132.3 Å²	132.3	85%	0.848	79%	0.79	S	S	*	*				-145.1	144	124.8	173.9	0	0	0	0	107.6
310	V	31.1	Very low	31.1	Very low	127 Å²	127	132.3 Å²	132.3	77%	0.77	79%	0.786	S	S	*	*			trans	-120.9	126.6	165.1	170.3	0	0	0	0	105.4
311	D	29.6	Very low	31.5	Very low	146 Å²	146	132 Å²	132	78%	0.781	78%	0.78	S	S	*	*				-175.8	169.3	115.4	-123.2	-50.5	0	0	0	114
312	A	32.3	Very low	31.9	Very low	87 Å²	87	131.4 Å²	131.4	72%	0.719	77%	0.772	S	S	*	*			trans	16.2	157.1	150.9	0	0	0	0	0	123.6
313	S	28.3	Very low	32.1	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	77%	0.767	S	S	*	*			cis	179	168.2	-23.5	-165.3	0	0	0	0	109
314	V	29.6	Very low	32.5	Very low	106 Å²	106	134 Å²	134	64%	0.642	77%	0.769	S	S	*	*			trans	67.4	113.2	160.9	-172	0	0	0	0	119.4
315	Q	31.4	Very low	32.8	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	77%	0.769	S	S	*	*			trans	63.6	160.8	151.4	-66.4	164.9	3.7	0	0	119.3
316	A	28.9	Very low	32.8	Very low	78 Å²	78	139.4 Å²	139.4	65%	0.645	76%	0.763	S	S	*	*			cis	-168.8	147.1	-34.3	0	0	0	0	0	110.1
317	S	31.8	Very low	33	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	75%	0.752	S	S	*	*			trans	72.6	136	165.4	-47.3	0	0	0	0	115.9
318	V	33.3	Very low	33.4	Very low	116 Å²	116	139.1 Å²	139.1	70%	0.703	74%	0.743	S	S	*	*				79.7	126.3	103.6	160.7	0	0	0	0	112.6
319	E	35.1	Very low	33.7	Very low	149 Å²	149	134.8 Å²	134.8	70%	0.696	73%	0.73	S	S	*	*			cis	-151.1	-172.8	5.1	-123.1	148.8	-150.8	0	0	110.6
320	E	35.7	Very low	33.9	Very low	150 Å²	150	134.3 Å²	134.3	70%	0.701	72%	0.722	S	S	*	*			trans	1.6	155.2	152.6	-70.3	146.6	-168.6	0	0	121
321	E	36.9	Very low	34.2	Very low	146 Å²	146	135.3 Å²	135.3	68%	0.682	72%	0.723	S	S	*	*			cis	-165.2	174.4	9.7	-123.5	159.3	-176.7	0	0	112.3
322	E	37.2	Very low	34.6	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.724	72%	0.723	S	S	*	*			trans	56.4	129.4	154.2	-69.8	169.9	179.1	0	0	120.7
323	E	35.9	Very low	34.6	Very low	178 Å²	178	138.6 Å²	138.6	83%	0.832	72%	0.723	S	S	*	*				67.5	136.2	77.4	-61.4	-175.5	-176.8	0	0	112.8
324	E	36.2	Very low	34.8	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	72%	0.715	S	S	*	*			cis	-139.9	147.6	22.8	-83.9	175.1	145.2	0	0	111.8
325	E	35.4	Very low	34.8	Very low	166 Å²	166	138 Å²	138	78%	0.776	72%	0.723	S	S	*	*				69.4	144.5	102.1	-61.9	-150.9	142.2	0	0	121.3
326	H	35.3	Very low	35	Very low	164 Å²	164	134.7 Å²	134.7	76%	0.759	72%	0.717	S	S	*	*			trans	59.3	157.8	160.4	-84.2	-18.7	0	0	0	121.8
327	D	36.3	Very low	35.5	Very low	124 Å²	124	136.1 Å²	136.1	66%	0.663	72%	0.72	S	S	*	*				-169.2	179.8	-51.8	-118.9	-39.1	0	0	0	111.7
328	D	38.9	Very low	35.5	Very low	116 Å²	116	140.6 Å²	140.6	62%	0.62	73%	0.726	S	S	*	*			trans	70.5	119.8	144.2	-82.8	14.9	0	0	0	123.3
329	N	35.7	Very low	35.3	Very low	117 Å²	117	139.1 Å²	139.1	63%	0.626	72%	0.721	S	S	*	*				73.2	150.3	126.2	-55.1	-10.5	0	0	0	120.2
330	D	36.8	Very low	35.1	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	73%	0.728	S	S	*	*			cis	-164.1	-166.6	-14.4	-112.2	-33.4	0	0	0	110.1
331	D	37.3	Very low	34.7	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	73%	0.726	S	S	*	*			trans	77.2	144.3	154.8	-67.5	-19.8	0	0	0	120.3
332	E	37.5	Very low	34.3	Very low	167 Å²	167	136.1 Å²	136.1	78%	0.78	72%	0.724	S	S	*	*			cis	-170.1	170.5	-24.8	-117.5	-78.6	-137.5	0	0	110.5
333	D	33	Very low	33.9	Very low	135 Å²	135	135.8 Å²	135.8	72%	0.722	73%	0.728	S	S	*	*			trans	84.2	141.7	146	-151	24.9	0	0	0	124.6
334	A	33.5	Very low	33.5	Very low	68 Å²	68	132.2 Å²	132.2	56%	0.562	73%	0.728	S	S	*	*			trans	52.8	148.4	145.7	0	0	0	0	0	124.7
335	T	28.5	Very low	33	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	73%	0.728	S	S	*	*			cis	-162.1	160.1	-27.8	30.1	0	0	0	0	110
336	P	35.1	Very low	32.7	Very low	115 Å²	115	126.4 Å²	126.4	75%	0.747	73%	0.725	S	S	*	*			trans	-109.1	-152.3	175.6	43.8	-35.6	0	0	0	111.7
337	P	40.3	Very low	32.3	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	73%	0.727	S	S	*	*			cis	-124.5	-179.8	-41.2	31.2	-12.8	0	0	0	113.2
338	K	32	Very low	31.8	Very low	201 Å²	201	124.6 Å²	124.6	87%	0.874	73%	0.732	S	S	*	*			trans	179.1	163.1	152.8	-96.4	140.7	-169	166.1	0	110.6
339	S	27.8	Very low	31.2	Very low	85 Å²	85	123.1 Å²	123.1	59%	0.594	74%	0.736	S	S	*	*			cis	178.1	156	-34.9	62.2	0	0	0	0	109.9
340	K	31.9	Very low	30.8	Very low	195 Å²	195	125 Å²	125	85%	0.848	75%	0.746	S	S	*	*			trans	75.9	155.5	163.5	-58.4	173.2	-175.9	180	0	118.1
341	S	27.1	Very low	30.3	Very low	93 Å²	93	123 Å²	123	65%	0.65	74%	0.742	S	S	*	*			cis	-172.9	135.7	-26.6	56.2	0	0	0	0	113.8
342	S	28.4	Very low	29.8	Very low	93 Å²	93	122.7 Å²	122.7	65%	0.65	74%	0.741	S	S	*	*			trans	55.3	153.7	135.7	66.7	0	0	0	0	124.3
343	N	29.8	Very low	29.2	Very low	149 Å²	149	122.1 Å²	122.1	80%	0.797	74%	0.742	S	S	*	*			trans	86.3	117.3	166.5	-50.1	-18.1	0	0	0	114.5
344	A	27.1	Very low	28.9	Very low	102 Å²	102	120.4 Å²	120.4	84%	0.843	74%	0.741	S	S	*	*			cis	82.9	106.8	19.8	0	0	0	0	0	116.9
345	S	26.1	Very low	28.5	Very low	114 Å²	114	123.2 Å²	123.2	80%	0.797	75%	0.751	S	S	*	*			trans	-163	147.6	135.9	-169.8	0	0	0	0	110.3
346	S	28.8	Very low	28.5	Very low	101 Å²	101	121.9 Å²	121.9	71%	0.706	75%	0.747	S	S	*	*			trans	-84	172.3	162.1	52.8	0	0	0	0	111
347	I	26.2	Very low	28.4	Very low	157 Å²	157	121.4 Å²	121.4	81%	0.805	74%	0.744	S	S	*	*			trans	176.2	154.7	131.5	-94.6	159.6	0	0	0	112.4
348	A	25.8	Very low	27.8	Very low	93 Å²	93	124 Å²	124	77%	0.769	75%	0.751	S	S	*	*			trans	69	116.9	162.7	0	0	0	0	0	120.2
349	A	26.1	Very low	28.1	Very low	85 Å²	85	120 Å²	120	70%	0.702	75%	0.745	S	S	*	*			trans	-72.6	167.6	153.4	0	0	0	0	0	111.6
350	N	28.1	Very low	28.1	Very low	155 Å²	155	122.9 Å²	122.9	83%	0.829	76%	0.759	S	S	*	*				-173.2	121	124.4	-97.2	-8.1	0	0	0	114.4
351	S	25.6	Very low	27.9	Very low	88 Å²	88	118.7 Å²	118.7	62%	0.615	75%	0.754	S	S	*	*			trans	44.2	124.3	132.9	67.7	0	0	0	0	123.2
352	N	26.5	Very low	28.4	Very low	142 Å²	142	120.3 Å²	120.3	76%	0.759	76%	0.763	S	S	*	*				94.7	114.3	128.7	-63.9	4.3	0	0	0	123.1
353	L	26	Very low	28.2	Very low	154 Å²	154	122.1 Å²	122.1	81%	0.806	78%	0.775	S	S	*	*				64.1	147.4	128.2	-83.5	81.2	0	0	0	124.2
354	S	25.9	Very low	28	Very low	99 Å²	99	117.8 Å²	117.8	69%	0.692	77%	0.766	S	S	*	*			trans	80.7	104.3	148.7	-72.7	0	0	0	0	122.5
355	T	25.3	Very low	28	Very low	128 Å²	128	124.9 Å²	124.9	79%	0.785	77%	0.771	S	S	*	*				71.1	125	113.6	-49.6	0	0	0	0	121.8
356	S	28.9	Very low	28	Very low	102 Å²	102	124 Å²	124	71%	0.713	77%	0.771	S	S	*	*			trans	-2.7	164.3	141.1	-113.8	0	0	0	0	121.1
357	P	32.5	Very low	28	Very low	104 Å²	104	122.9 Å²	122.9	68%	0.675	78%	0.775	S	S	*	*			cis	-144.6	154.2	13.4	38.2	-17.3	0	0	0	119.8
358	L	27.8	Very low	28.2	Very low	164 Å²	164	122.9 Å²	122.9	86%	0.859	77%	0.772	S	S	*	*			trans	54.3	-158	144	-53.1	170.5	0	0	0	117.3
359	P	38.4	Very low	28.3	Very low	116 Å²	116	122.4 Å²	122.4	75%	0.753	76%	0.756	S	S	*	*				-129.8	173.3	-123.7	34.5	-11.1	0	0	0	116.1
360	V	28.1	Very low	28.5	Very low	146 Å²	146	127.5 Å²	127.5	89%	0.885	76%	0.759	S	S	*	*			trans	-166.8	160.7	146.6	129	0	0	0	0	110.5
361	S	27.1	Very low	28.5	Very low	107 Å²	107	124.5 Å²	124.5	75%	0.748	76%	0.755	S	S	*	*			trans	-96.3	-149.8	-179.2	-55.9	0	0	0	0	112.9
362	P	37.4	Very low	28.5	Very low	128 Å²	128	125.5 Å²	125.5	83%	0.831	76%	0.758	S	S	*	*				-112.3	178.5	-115.4	39.1	-23.6	0	0	0	114.4
363	S	25.4	Very low	28.6	Very low	130 Å²	130	126.5 Å²	126.5	91%	0.909	76%	0.763	S	S	*	*			trans	144.9	160	148.9	-170.4	0	0	0	0	112.8
364	G	25.7	Very low	28.6	Very low	59 Å²	59	125.6 Å²	125.6	61%	0.608	76%	0.759	S	S	*	*			trans	108.3	95.2	-178	0	0	0	0	0	112
365	R	26.9	Very low	28.8	Very low	251 Å²	251	130.8 Å²	130.8	95%	0.947	77%	0.769	S	S	*	*				61.3	140.4	81.3	-75.9	-177.8	155.4	-177.5	-5.5	114.3
366	A	25.8	Very low	29	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	77%	0.767	S	S	*	*			cis	-173.6	148.2	-20.3	0	0	0	0	0	106.7
367	G	28.7	Very low	28.9	Very low	77 Å²	77	134.4 Å²	134.4	79%	0.794	77%	0.768	S	S	*	*			trans	-166.8	15.1	-168.5	0	0	0	0	0	121.4
368	E	30.7	Very low	28.7	Very low	156 Å²	156	134.8 Å²	134.8	73%	0.729	77%	0.773	S	S	*	*			trans	-32.6	136.4	160.3	-74.6	165.4	175.2	0	0	114.3	K112	K112-E368 PolarHBondContact NZ-O 3.46Å
369	D	27.8	Very low	28.7	Very low	84 Å²	84	132.4 Å²	132.4	45%	0.449	77%	0.77	S	S	.	*			cis	-167.8	164.6	42.8	-91.8	-43.5	0	0	0	115.7	K112	K112-D369 HydrophobicContact CD-CB 4.23Å; K112-D369 WeakPolarHBondContact CE-OD2 3.49Å; K112-D369 HydrophobicContact CG-CB 4.45Å; K112-D369 IonicContact NZ-OD2 3.43Å; K112-D369 PolarHBondContact NZ-OD2 2.87Å
370	Y	28.9	Very low	28.2	Very low	191 Å²	191	131.8 Å²	131.8	75%	0.749	77%	0.774	S	S	*	*			trans	-29.5	162.2	156.4	-50.2	-97.6	0	0	0	120.3
371	A	28.3	Very low	28.2	Very low	92 Å²	92	127.8 Å²	127.8	76%	0.76	76%	0.762	S	S	*	*				-151.2	126.6	121.8	0	0	0	0	0	111.9
372	T	27.4	Very low	28.3	Very low	110 Å²	110	131.4 Å²	131.4	68%	0.675	77%	0.767	S	S	*	*			trans	-98.8	152.4	169.1	-55	0	0	0	0	109.7
373	L	27.3	Very low	27.9	Very low	163 Å²	163	130.4 Å²	130.4	85%	0.853	76%	0.763	S	S	*	*			trans	-131.1	107.5	160.2	-95.6	171.2	0	0	0	110.4
374	D	27.4	Very low	28.3	Very low	135 Å²	135	128.9 Å²	128.9	72%	0.722	75%	0.75	S	S	*	*			trans	-75.2	150.1	163.4	-69.8	-63	0	0	0	110.4
375	F	28.2	Very low	28.4	Very low	208 Å²	208	135.6 Å²	135.6	91%	0.912	76%	0.763	S	S	*	*			trans	-128.6	145.9	145.7	-107.1	-87.5	0	0	0	109.9
376	K	30.2	Very low	28.4	Very low	169 Å²	169	127.8 Å²	127.8	74%	0.735	75%	0.752	S	S	*	*			trans	-131.4	165.5	-155	-165.4	-173.3	175.1	178	0	110.8
377	N	27.5	Very low	28.7	Very low	137 Å²	137	132.9 Å²	132.9	73%	0.733	76%	0.759	S	S	*	*			trans	76.2	150.6	176.5	-37.1	-43.8	0	0	0	111.7
378	S	27.8	Very low	28.7	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	76%	0.761	S	S	*	*			cis	-168.7	169	-7.2	-116.1	0	0	0	0	107.3
379	S	28.2	Very low	28.7	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	76%	0.756	S	S	*	*			cis	-152.9	174.2	-1	-173	0	0	0	0	108.9
380	A	28.3	Very low	28.8	Very low	103 Å²	103	137.4 Å²	137.4	85%	0.851	77%	0.768	S	S	*	*			trans	-68.6	162.5	-178.5	0	0	0	0	0	115.7
381	G	26.5	Very low	28.7	Very low	62 Å²	62	135.2 Å²	135.2	64%	0.639	77%	0.768	S	S	*	*			trans	-157.7	113	164.8	0	0	0	0	0	113.4
382	H	30.7	Very low	28.7	Very low	184 Å²	184	136.3 Å²	136.3	85%	0.852	77%	0.77	S	S	*	*			trans	46.8	109.2	152.3	-58.7	-73.2	0	0	0	119.5
383	S	27.3	Very low	28.6	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	77%	0.772	S	S	*	*			cis	48.2	146.3	32.4	-102.6	0	0	0	0	115.5
384	P	34.1	Very low	28.9	Very low	98 Å²	98	132.9 Å²	132.9	64%	0.636	77%	0.77	S	S	*	*			cis	-149.3	-167.5	-7.7	44.2	-24.8	0	0	0	115.7
385	K	28.2	Very low	29.1	Very low	200 Å²	200	131.4 Å²	131.4	87%	0.87	77%	0.77	S	S	*	*			trans	65.8	161.1	148	-77.1	176.5	176.4	-176.7	0	120.2
386	A	26.5	Very low	29.3	Very low	87 Å²	87	128.3 Å²	128.3	72%	0.719	76%	0.762	S	S	*	*			cis	-178.1	142.3	-35.2	0	0	0	0	0	109
387	E	32.8	Very low	29.7	Very low	203 Å²	203	127.6 Å²	127.6	95%	0.949	76%	0.762	S	S	*	*			trans	-146.8	102.3	160.6	-140.7	164.4	-144.1	0	0	111.3
388	E	28.5	Very low	30	Very low	178 Å²	178	128.2 Å²	128.2	83%	0.832	76%	0.76	S	S	*	*			trans	-107.2	176.5	161.5	-123.1	-173.5	-149	0	0	105.8
389	P	31.3	Very low	30.1	Very low	96 Å²	96	130.1 Å²	130.1	62%	0.623	76%	0.762	S	S	*	*			cis	-138.8	-162	-9.5	23.6	3.4	0	0	0	113.2
390	I	28.7	Very low	30.1	Very low	139 Å²	139	128.5 Å²	128.5	71%	0.713	75%	0.75	S	S	*	*			trans	129	95	137.8	-64.4	176.6	0	0	0	118.9
391	I	26.7	Very low	30.2	Very low	145 Å²	145	132.8 Å²	132.8	74%	0.744	75%	0.75	S	S	*	*				31.6	125.5	125.4	-36.9	159.4	0	0	0	120.2
392	S	28.2	Very low	30.3	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	76%	0.757	S	S	*	*				156.8	152.5	117.6	-68.7	0	0	0	0	113.4
393	A	26.4	Very low	30.1	Very low	85 Å²	85	132.8 Å²	132.8	70%	0.702	75%	0.753	S	S	*	*			cis	-173.1	173.8	-27.6	0	0	0	0	0	109.2
394	S	32.6	Very low	29.9	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	75%	0.754	S	S	*	*			trans	77.4	116.6	-176.6	75.5	0	0	0	0	115.7
395	S	31.3	Very low	29.8	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	76%	0.76	S	S	*	*			cis	101.9	152.9	7.9	-150.5	0	0	0	0	116.7
396	D	34.1	Very low	29.8	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	76%	0.758	S	S	*	*			trans	80.6	139.1	164.4	-45.2	-28.1	0	0	0	116
397	E	38.1	Very low	29.9	Very low	155 Å²	155	132.4 Å²	132.4	72%	0.724	76%	0.756	S	S	*	*			cis	-131.4	157	14.1	-77	-161.9	103.7	0	0	115.9
398	Q	34.4	Very low	29.5	Very low	149 Å²	149	130.4 Å²	130.4	70%	0.696	75%	0.751	S	S	*	*			trans	29.4	129.5	137.3	-54.9	-172.2	61.8	0	0	119.6
399	D	29.2	Very low	29.4	Very low	153 Å²	153	128 Å²	128	82%	0.818	75%	0.748	S	S	*	*			cis	69.1	140.3	18.5	-150.5	9.4	0	0	0	118.4
400	S	28.1	Very low	29.1	Very low	78 Å²	78	130.2 Å²	130.2	55%	0.545	76%	0.755	S	S	.	*			trans	67.6	101.4	174.7	79	0	0	0	0	119.3
401	K	29.3	Very low	29.1	Very low	193 Å²	193	131.4 Å²	131.4	84%	0.839	76%	0.762	S	S	*	*				175.6	116.8	108.7	-94.1	157.9	-171.9	161.6	0	114.1
402	T	29.9	Very low	29	Very low	128 Å²	128	128.6 Å²	128.6	79%	0.785	76%	0.761	S	S	*	*			trans	-67.8	142	149.2	-39.5	0	0	0	0	108.9
403	P	25.3	Very low	29.2	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	76%	0.76	S	S	*	*				-126.2	146.3	126.7	34.8	-29.8	0	0	0	112.9
404	T	23.6	Very low	29.1	Very low	123 Å²	123	129.5 Å²	129.5	76%	0.755	76%	0.759	S	S	*	*			trans	-80.2	172.7	-178.9	8.1	0	0	0	0	111.8
405	P	32.7	Very low	28.8	Very low	120 Å²	120	128.7 Å²	128.7	78%	0.779	75%	0.753	S	S	*	*			trans	-85.5	164.5	-150.6	35.1	-39.5	0	0	0	115.3
406	T	27.4	Very low	28.7	Very low	133 Å²	133	128.4 Å²	128.4	82%	0.816	75%	0.751	S	S	*	*			trans	-149.2	138.7	161.2	-29.6	0	0	0	0	109.6
407	P	28.2	Very low	28.4	Very low	106 Å²	106	127.8 Å²	127.8	69%	0.688	75%	0.748	S	S	*	*			trans	-102.6	172.8	-174.7	39.9	-36.2	0	0	0	113.7
408	L	24.6	Very low	27.9	Very low	161 Å²	161	128.6 Å²	128.6	84%	0.843	75%	0.752	S	S	*	*			trans	68.9	163.1	175	-54.6	155.7	0	0	0	112.6
409	V	26.3	Very low	27.5	Very low	127 Å²	127	126.4 Å²	126.4	77%	0.77	75%	0.753	S	S	*	*			cis	-128.6	165.2	9.5	-169.8	0	0	0	0	109.5
410	L	25.2	Very low	27.3	Very low	144 Å²	144	125.3 Å²	125.3	75%	0.754	75%	0.752	S	S	*	*			trans	-63.3	155.3	165.6	-56.3	94.6	0	0	0	111.3
411	N	28.7	Very low	27.4	Very low	164 Å²	164	128.1 Å²	128.1	88%	0.877	77%	0.765	S	S	*	*				-174.1	124.1	129.5	-93.8	-15.5	0	0	0	112.5
412	A	26.1	Very low	27.1	Very low	86 Å²	86	124.9 Å²	124.9	71%	0.711	76%	0.761	S	S	*	*			trans	-89.1	178.1	141.5	0	0	0	0	0	107.4
413	P	32.6	Very low	27.2	Very low	121 Å²	121	125 Å²	125	79%	0.786	76%	0.762	S	S	*	*			cis	-138.7	-159.6	6.2	38.5	-16.5	0	0	0	113.8
414	S	23.9	Very low	27.2	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	76%	0.76	S	S	*	*			trans	97.4	110	142.4	-148.6	0	0	0	0	120.8
415	S	26.5	Very low	27.7	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	76%	0.764	S	S	*	*				77.1	146.5	124.1	64.4	0	0	0	0	123.7
416	S	28.4	Very low	27.6	Very low	97 Å²	97	125.2 Å²	125.2	68%	0.678	75%	0.753	S	S	*	*			trans	76.4	99.2	149.3	53.6	0	0	0	0	120.3
417	N	27.2	Very low	27.7	Very low	131 Å²	131	125.3 Å²	125.3	70%	0.701	75%	0.753	S	S	*	*				63.4	134.1	115.6	-66.3	27.7	0	0	0	121.8
418	E	27.4	Very low	27.9	Very low	171 Å²	171	125.8 Å²	125.8	80%	0.799	76%	0.76	S	S	*	*			trans	64.2	141.6	139.2	-66.5	167.5	116.7	0	0	118.4
419	S	26.4	Very low	28.3	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	76%	0.757	S	S	*	*			cis	-160.1	170	-11.6	56.8	0	0	0	0	110.5
420	V	25.7	Very low	28.5	Very low	131 Å²	131	125.2 Å²	125.2	79%	0.794	75%	0.753	S	S	*	*			trans	3.9	112	159.5	-174.1	0	0	0	0	118.4
421	V	30.1	Very low	28.9	Very low	136 Å²	136	125.7 Å²	125.7	82%	0.824	76%	0.756	S	S	*	*			trans	-146.3	140.2	138.6	171.1	0	0	0	0	109.8
422	T	24.1	Very low	29	Very low	125 Å²	125	122.6 Å²	122.6	77%	0.767	75%	0.747	S	S	*	*			trans	-89	132.6	178.6	-50.3	0	0	0	0	112.4
423	V	31	Very low	29.4	Very low	131 Å²	131	123 Å²	123	79%	0.794	74%	0.742	S	S	*	*			trans	-142.7	116.4	159.1	-175.8	0	0	0	0	110.6
424	Q	25.9	Very low	29.5	Very low	159 Å²	159	124.8 Å²	124.8	74%	0.743	74%	0.74	S	S	*	*			trans	-95.9	142.4	153.7	-83.3	-173.3	-32.9	0	0	108.8
425	P	33.8	Very low	29.7	Very low	127 Å²	127	128.6 Å²	128.6	83%	0.825	75%	0.747	S	S	*	*			trans	-81.2	138.9	149.6	33.2	-28.5	0	0	0	109.4
426	S	30.7	Very low	29.9	Very low	80 Å²	80	131 Å²	131	56%	0.559	75%	0.748	S	S	*	*			trans	-145.5	169.1	-179.8	-60.2	0	0	0	0	110
427	V	29	Very low	30.1	Very low	135 Å²	135	133 Å²	133	82%	0.818	75%	0.749	S	S	*	*			trans	73.9	131	174.4	-164.6	0	0	0	0	111
428	S	33.4	Very low	30.5	Very low	117 Å²	117	132 Å²	132	82%	0.818	75%	0.753	S	S	*	*			cis	-137.3	136.9	43.6	-50.1	0	0	0	0	116.8
429	E	31.7	Very low	30.4	Very low	168 Å²	168	133.5 Å²	133.5	79%	0.785	76%	0.756	S	S	*	*			trans	-80.2	173.7	153.5	-145.3	-173.2	157.2	0	0	109.2
430	P	30.8	Very low	30.6	Very low	107 Å²	107	132.9 Å²	132.9	70%	0.695	76%	0.758	S	S	*	*				-156.7	157.2	82	40.2	-20	0	0	0	118.9
431	L	33.9	Very low	30.8	Very low	155 Å²	155	132.6 Å²	132.6	81%	0.812	76%	0.757	S	S	*	*			trans	71.5	121.8	142.3	-71.4	163.5	0	0	0	121.8
432	S	30.2	Very low	31	Very low	98 Å²	98	131.4 Å²	131.4	69%	0.685	75%	0.754	S	S	*	*			trans	-86.5	173.7	148.4	-177.3	0	0	0	0	109.9
433	P	35.5	Very low	31	Very low	94 Å²	94	130.7 Å²	130.7	61%	0.61	75%	0.754	S	S	*	*				-148.7	172.3	103.9	41.7	-27.3	0	0	0	115.8
434	E	33.6	Very low	31.3	Very low	159 Å²	159	129.4 Å²	129.4	74%	0.743	75%	0.748	S	S	*	*			trans	54.2	125	141.9	-74.8	141.8	-156	0	0	120.4
435	E	28.6	Very low	31.5	Very low	178 Å²	178	130 Å²	130	83%	0.832	75%	0.749	S	S	*	*				65.7	146.7	89.9	-60	-165.4	139.1	0	0	113.2
436	E	30.6	Very low	31.4	Very low	149 Å²	149	130.7 Å²	130.7	70%	0.696	74%	0.741	S	S	*	*			cis	-162.9	170.1	23.5	-155.8	-162.5	173.2	0	0	110.2
437	I	32.9	Very low	31.6	Very low	140 Å²	140	132.2 Å²	132.2	72%	0.718	75%	0.751	S	S	*	*			trans	50.5	148.8	161.2	34.8	173.3	0	0	0	120.8
438	S	34.5	Very low	31.7	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	75%	0.747	S	S	*	*			cis	-155	164.6	14.1	-125.9	0	0	0	0	113.5
439	K	26.8	Very low	31.8	Very low	201 Å²	201	135.5 Å²	135.5	87%	0.874	74%	0.736	S	S	*	*			trans	-92.1	140.2	171	-66	162.4	176.1	163.6	0	111.7
440	A	31.1	Very low	31.9	Very low	91 Å²	91	133.1 Å²	133.1	75%	0.752	73%	0.725	S	S	*	*			trans	-166.8	118.9	150.4	0	0	0	0	0	109
441	T	28.3	Very low	31.9	Very low	125 Å²	125	137.9 Å²	137.9	77%	0.767	73%	0.729	S	S	*	*			cis	92.4	141.9	44.3	60.9	0	0	0	0	115.1
442	S	33.8	Very low	31.9	Very low	111 Å²	111	136 Å²	136	78%	0.776	72%	0.724	S	S	*	*			trans	71.2	126.9	-176.8	73	0	0	0	0	115.6
443	S	26.1	Very low	31.9	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	72%	0.723	S	S	*	*			cis	74.4	151.5	2.8	102.6	0	0	0	0	117.9
444	P	35.3	Very low	31.8	Very low	104 Å²	104	141.2 Å²	141.2	68%	0.675	74%	0.737	S	S	*	*			cis	-136.6	-147.3	-42.7	35.1	-14.3	0	0	0	110.7
445	K	30.3	Very low	31.8	Very low	172 Å²	172	142.1 Å²	142.1	75%	0.748	74%	0.738	S	S	*	*			trans	82.1	160.5	172.1	-51.7	164.5	148.2	-132.4	0	114.7
446	E	32.9	Very low	31.7	Very low	142 Å²	142	139.5 Å²	139.5	66%	0.664	74%	0.735	S	S	*	*			cis	-147.9	156.5	6.1	-147.6	143.4	-123.1	0	0	113.1
447	S	33.7	Very low	31.8	Very low	111 Å²	111	137 Å²	137	78%	0.776	74%	0.739	S	S	*	*			trans	71.2	150.2	152.2	76	0	0	0	0	120.4
448	R	32.7	Very low	31.6	Very low	196 Å²	196	141.2 Å²	141.2	74%	0.74	75%	0.746	S	S	*	*			cis	-172.1	121.5	-20.2	168.5	171.8	-172.1	143.5	23.8	111.5
449	E	34.8	Very low	31.5	Very low	125 Å²	125	141.2 Å²	141.2	58%	0.584	74%	0.741	S	S	*	*			trans	63.6	162.3	150.7	-68.1	169	-167.2	0	0	118.5
450	Q	33.6	Very low	31.6	Very low	119 Å²	119	139.6 Å²	139.6	56%	0.556	74%	0.737	S	S	*	*			cis	-158.5	147.3	-3.8	-123.8	175.4	80.1	0	0	111.1
451	R	31.9	Very low	31.5	Very low	206 Å²	206	140.5 Å²	140.5	78%	0.777	74%	0.738	S	S	*	*			trans	47.3	154.5	137.7	-67.6	172.1	-173.8	153.9	-8.3	120.7
452	V	33.9	Very low	31.8	Very low	116 Å²	116	142.7 Å²	142.7	70%	0.703	74%	0.739	S	S	*	*			cis	-156.5	125	-2.9	123.1	0	0	0	0	105.4
453	S	29.5	Very low	31.6	Very low	94 Å²	94	144.4 Å²	144.4	66%	0.657	74%	0.739	S	S	*	*				70.2	128.8	77.8	-46.2	0	0	0	0	117.3
454	K	34.1	Very low	31.7	Very low	207 Å²	207	143.9 Å²	143.9	90%	0.9	74%	0.735	S	S	*	*			trans	76.7	159.1	162.9	-59.2	173.3	-178.3	175	0	118.4
455	K	32	Very low	31.4	Very low	179 Å²	179	147 Å²	147	78%	0.778	74%	0.74	S	S	*	*			cis	-177.1	145.2	-34.4	-163.3	-172.1	177.3	-178.4	0	110.2
456	T	28	Very low	31.3	Very low	123 Å²	123	145 Å²	145	76%	0.755	74%	0.736	S	S	*	*			trans	73.8	157.6	154.8	17.9	0	0	0	0	121.3
457	A	31.3	Very low	31.2	Very low	96 Å²	96	144.5 Å²	144.5	79%	0.793	75%	0.745	S	S	*	*			trans	69.4	130.7	179.1	0	0	0	0	0	115.8
458	R	29.3	Very low	30.9	Very low	229 Å²	229	146.6 Å²	146.6	86%	0.864	75%	0.747	S	S	*	*			cis	108.8	152.7	17.4	-165.9	178.2	-176.5	179	3	112
459	T	32	Very low	31	Very low	109 Å²	109	146.5 Å²	146.5	67%	0.669	76%	0.755	S	S	*	*			trans	70.6	101.9	178.6	52.5	0	0	0	0	118.9
460	E	28.5	Very low	30.8	Very low	168 Å²	168	144 Å²	144	79%	0.785	76%	0.756	S	S	*	*				52.2	132.5	115.9	-68.9	150.9	-122.3	0	0	123.1
461	S	30	Very low	30.8	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	77%	0.768	S	S	*	*			trans	79.9	159.9	149.3	72.6	0	0	0	0	121.1
462	E	34.5	Very low	30.6	Very low	170 Å²	170	141 Å²	141	79%	0.794	77%	0.768	S	S	*	*			trans	67.3	121	168.8	-56.1	-163.5	154.3	0	0	116.5
463	I	28.3	Very low	30.5	Very low	148 Å²	148	140 Å²	140	76%	0.759	77%	0.772	S	S	*	*				92.1	122.7	60.2	-73.8	167.8	0	0	0	112.6
464	S	28.5	Very low	30.6	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	78%	0.779	S	S	*	*			trans	59.6	172.2	168.2	-81.3	0	0	0	0	116.7
465	E	30.6	Very low	30.4	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	77%	0.772	S	S	*	*			cis	-146.3	-166.3	5	-149.6	120.7	-102.2	0	0	112.5
466	I	27.4	Very low	30.4	Very low	129 Å²	129	134.2 Å²	134.2	66%	0.662	77%	0.767	S	S	*	*			trans	-108.5	143.1	-173.2	-55.6	161.4	0	0	0	110.9	L468	I466-L468 PolarHBondContact O-N 3.34Å
467	P	30.9	Very low	30.5	Very low	131 Å²	131	133.9 Å²	133.9	85%	0.851	77%	0.77	S	S	*	*			trans	-70.8	106.8	163.8	-11.4	27.6	0	0	0	110.5
468	L	27.5	Very low	30.5	Very low	155 Å²	155	133.2 Å²	133.2	81%	0.812	76%	0.764	S	S	*	*			trans	-111.3	91.9	-175.7	-114.6	174.8	0	0	0	111.5	I466	I466-L468 PolarHBondContact O-N 3.34Å
469	E	35	Very low	30.6	Very low	194 Å²	194	127.3 Å²	127.3	91%	0.907	76%	0.758	S	S	*	*			trans	-150.1	144.1	165.5	-77.9	-160.8	-168.7	0	0	109.4
470	A	31.2	Very low	30.4	Very low	74 Å²	74	132.7 Å²	132.7	61%	0.612	77%	0.766	S	S	*	*			cis	-159.6	178.5	-14.5	0	0	0	0	0	109.7
471	N	32.5	Very low	30.5	Very low	150 Å²	150	128.5 Å²	128.5	80%	0.802	76%	0.755	S	S	*	*			trans	77	82.4	160.2	-55.5	-28	0	0	0	120.5
472	S	27.8	Very low	30.6	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	76%	0.756	S	S	*	*				70.7	140.2	116.7	66.6	0	0	0	0	123.7
473	A	30.8	Very low	30.5	Very low	95 Å²	95	128.4 Å²	128.4	79%	0.785	76%	0.762	S	S	*	*			trans	72	136.9	157.3	0	0	0	0	0	118.6
474	T	31.8	Very low	30.5	Very low	130 Å²	130	129.7 Å²	129.7	80%	0.798	76%	0.762	S	S	*	*			cis	-153.7	155.5	-10.3	-85.4	0	0	0	0	111.1
475	T	29.7	Very low	30.6	Very low	123 Å²	123	129.9 Å²	129.9	76%	0.755	77%	0.769	S	S	*	*			trans	-70.8	-173.6	178.5	26.4	0	0	0	0	115.9
476	P	33.4	Very low	30.5	Very low	105 Å²	105	128.1 Å²	128.1	68%	0.682	77%	0.765	S	S	*	*			cis	-139.8	-163.4	-27.6	33.4	-11.3	0	0	0	114.8
477	S	29.7	Very low	30.7	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	78%	0.777	S	S	*	*			trans	83.5	146.8	145.7	-74.1	0	0	0	0	119.9
478	A	31.4	Very low	30.6	Very low	82 Å²	82	125.1 Å²	125.1	68%	0.678	77%	0.77	S	S	*	*			cis	-158.4	167.4	-6	0	0	0	0	0	112.4
479	S	30.7	Very low	30.7	Very low	105 Å²	105	127.1 Å²	127.1	73%	0.734	78%	0.775	S	S	*	*			trans	38.4	147.9	142.8	-67	0	0	0	0	122.6
480	R	29	Very low	30.5	Very low	222 Å²	222	123 Å²	123	84%	0.838	77%	0.767	S	S	*	*			cis	-175.1	170.2	-1.2	-105.2	168.7	65.6	167.3	0.1	106.4
481	S	31.1	Very low	30.4	Very low	80 Å²	80	128.6 Å²	128.6	56%	0.559	78%	0.781	S	S	*	*			cis	-170.7	150.5	-10.3	43.7	0	0	0	0	111.1
482	V	30.7	Very low	30.5	Very low	131 Å²	131	127.9 Å²	127.9	79%	0.794	78%	0.777	S	S	*	*			trans	37.7	119.5	131.1	-173	0	0	0	0	117.5
483	T	32.7	Very low	30.6	Very low	147 Å²	147	128.2 Å²	128.2	90%	0.902	78%	0.779	S	S	*	*				-138.1	173.7	80	39.5	0	0	0	0	115.5
484	K	28.7	Very low	30.8	Very low	175 Å²	175	134.9 Å²	134.9	76%	0.761	78%	0.784	S	S	*	*			trans	-136.8	138.1	-165.9	173	-173.7	178.5	-177.2	0	111.1	N486	K484-N486 WeakPolarHBondContact CE-OD1 3.4Å
485	A	31.1	Very low	31.2	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	77%	0.773	S	S	*	*			trans	-136.9	138.9	166	0	0	0	0	0	109.7
486	N	27.4	Very low	32.4	Very low	135 Å²	135	133.4 Å²	133.4	72%	0.722	76%	0.764	S	S	*	*			trans	-120.6	111.1	-171.8	-94.2	35.8	0	0	0	112.2	K484	K484-N486 WeakPolarHBondContact CE-OD1 3.4Å
487	S	32.4	Very low	33.3	Very low	129 Å²	129	132.5 Å²	132.5	90%	0.902	75%	0.751	S	S	*	*			trans	-162.1	153.8	145.6	60	0	0	0	0	107.8
488	G	28.1	Very low	34.9	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	73%	0.726	S	S	*	*			cis	163.6	136.7	-9.2	0	0	0	0	0	110.9
489	Q	30	Very low	36.5	Very low	197 Å²	197	131.2 Å²	131.2	92%	0.921	72%	0.718	S	S	*	*			trans	82	141.9	158.3	-145.1	155.2	-27.3	0	0	119.7
490	S	30.2	Very low	37.7	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	71%	0.71	S	S	*	*			trans	68	122.9	178.1	73.1	0	0	0	0	118.2
491	Q	30.1	Very low	39	Very low	193 Å²	193	125.6 Å²	125.6	90%	0.902	69%	0.691	S	S	*	*			trans	-101.6	110.6	171.1	-74.7	-175	-34.8	0	0	110.3
492	N	33.7	Very low	40.5	Very low	134 Å²	134	123.4 Å²	123.4	72%	0.717	68%	0.681	S	S	*	*			trans	-106.6	106.7	165.5	-73.7	-23.9	0	0	0	108.7	W494	N492-W494 PolarHBondContact O-N 3.09Å
493	S	30.4	Very low	42.4	Very low	120 Å²	120	124.4 Å²	124.4	84%	0.839	67%	0.67	S	S	*	*			trans	-75.3	86.1	-170.1	-179.4	0	0	0	0	113.1
494	W	34.2	Very low	44.1	Very low	234 Å²	234	123 Å²	123	89%	0.886	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-88.5	126.3	159.8	-72.8	88.5	0	0	0	110.1	N492	N492-W494 PolarHBondContact O-N 3.09Å
495	K	41	Very low	45.9	Very low	131 Å²	131	120 Å²	120	57%	0.57	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-60.9	136.9	175.8	-69.1	-168.6	164.5	-144.6	0	110.4	E499 I500	K495-E499 WeakPolarHBondContact CB-OE2 3.33Å; K495-E499 WeakPolarHBondContact CD-OE1 3.24Å; K495-E499 WeakPolarHBondContact CD-OE2 3.4Å; K495-E499 WeakPolarHBondContact CE-OE1 3.48Å; K495-E499 VanDerWaalsContact CG-OE2 3.26Å; K495-E499 WeakPolarHBondContact CG-OE2 3.47Å; K495-E499 IonicContact NZ-OE1 2.81Å; K495-E499 PolarHBondContact NZ-OE1 3.37Å; K495-I500 HydrophobicContact CB-CG1 4.4Å
496	T	53.9	Low	47.6	Very low	91 Å²	91	115.3 Å²	115.3	56%	0.558	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-69.3	154.9	-176.1	50.5	0	0	0	0	111.6	E498 E499 I500	T496-E498 PolarHBondContact O-N 2.98Å; T496-E498 VanDerWaalsContact O-N 3.15Å; T496-E499 WeakPolarHBondContact O-CB 3.44Å; T496-E499 PolarHBondContact O-N 3.37Å; T496-I500 PolarHBondContact O-N 3.35Å
497	E	52.1	Low	49.6	Very low	87 Å²	87	114.1 Å²	114.1	41%	0.407	60%	0.597	S	S	.	*	H	α-helix	trans	-49.3	-40.3	176	-167.5	-168.8	-168.5	0	0	112.1	E499 I500 F501 V506 R510	E497-E499 VanDerWaalsContact C-N 3.27Å; E497-E499 PolarHBondContact O-N 2.95Å; E497-I500 PolarHBondContact O-N 2.74Å; E497-F501 HydrophobicContact CG-CD2 3.82Å; E497-F501 HydrophobicContact CG-CE2 4.38Å; E497-F501 WeakPolarHBondContact O-CB 3.46Å; E497-F501 WeakPolarHBondContact O-CD2 3.41Å; E497-F501 PolarHBondContact O-N 2.92Å; E497-V506 HydrophobicContact CB-CG2 4.36Å; E497-V506 HydrophobicContact CG-CG1 4.32Å; E497-V506 HydrophobicContact CG-CG2 3.77Å; E497-V506 WeakPolarHBondContact OE2-CG1 3.39Å; E497-R510 IonicContact OE2-CZ 3.17Å; E497-R510 IonicContact OE2-NE 2.76Å; E497-R510 IonicContact OE2-NH2 2.9Å; E497-R510 PolarHBondContact OE2-NH2 3.36Å
498	E	65.1	Low	51.2	Low	58 Å²	58	112.2 Å²	112.2	27%	0.271	58%	0.577	S	S	.	*	H	α-helix	trans	-62.9	-27.8	177.1	-64.2	-166.2	172.5	0	0	114.1	T496 G502 R503 V506	T496-E498 PolarHBondContact O-N 2.98Å; T496-E498 VanDerWaalsContact O-N 3.15Å; E498-G502 CarbonylContact O-C 3.58Å; E498-G502 VanDerWaalsContact O-C 3.28Å; E498-G502 WeakPolarHBondContact O-CA 3.29Å; E498-G502 PolarHBondContact O-N 3.02Å; E498-R503 HydrophobicContact CB-CB 4.41Å; E498-R503 PolarHBondContact O-N 2.9Å; E498-R503 IonicContact OE2-CZ 3.47Å; E498-R503 IonicContact OE2-NE 3.64Å; E498-R503 PolarHBondContact OE2-NE 2.63Å; E498-R503 IonicContact OE2-NH2 3.53Å; E498-R503 PolarHBondContact OE2-NH2 3.05Å; E498-V506 HydrophobicContact CG-CB 4.21Å; E498-V506 HydrophobicContact CG-CG1 4.09Å; E498-V506 HydrophobicContact CG-CG2 4.44Å
499	E	64.5	Low	52.8	Low	112 Å²	112	110.6 Å²	110.6	52%	0.523	55%	0.554	S	S	.	*	H	α-helix	trans	-82.8	-33.1	180	-158.2	-170.2	162.1	0	0	111.7	K495 T496 E497	K495-E499 WeakPolarHBondContact CB-OE2 3.33Å; K495-E499 WeakPolarHBondContact CD-OE1 3.24Å; K495-E499 WeakPolarHBondContact CD-OE2 3.4Å; K495-E499 WeakPolarHBondContact CE-OE1 3.48Å; K495-E499 VanDerWaalsContact CG-OE2 3.26Å; K495-E499 WeakPolarHBondContact CG-OE2 3.47Å; K495-E499 IonicContact NZ-OE1 2.81Å; K495-E499 PolarHBondContact NZ-OE1 3.37Å; T496-E499 WeakPolarHBondContact O-CB 3.44Å; T496-E499 PolarHBondContact O-N 3.37Å; E497-E499 VanDerWaalsContact C-N 3.27Å; E497-E499 PolarHBondContact O-N 2.95Å
500	I	54.6	Low	54.2	Low	108 Å²	108	108.3 Å²	108.3	55%	0.554	54%	0.537	S	S	*	.	H	α-helix	trans	-79.9	-40.7	179.2	-60.4	173.1	0	0	0	111.2	K495 T496 E497	K495-I500 HydrophobicContact CB-CG1 4.4Å; T496-I500 PolarHBondContact O-N 3.35Å; E497-I500 PolarHBondContact O-N 2.74Å
501	F	57.4	Low	55.6	Low	100 Å²	100	112.7 Å²	112.7	44%	0.439	54%	0.538	S	S	.	.	H	α-helix	trans	-108.5	-7.1	-171.4	-65.2	-65.8	0	0	0	114.1	E497 M505 V506	E497-F501 HydrophobicContact CG-CD2 3.82Å; E497-F501 HydrophobicContact CG-CE2 4.38Å; E497-F501 WeakPolarHBondContact O-CB 3.46Å; E497-F501 WeakPolarHBondContact O-CD2 3.41Å; E497-F501 PolarHBondContact O-N 2.92Å; F501-M505 HydrophobicContact CB-CE 3.68Å; F501-M505 HydrophobicContact CD1-CE 3.66Å; F501-M505 HydrophobicContact CG-CE 4.07Å; F501-M505 WeakPolarHBondContact O-CB 3.45Å; F501-V506 HydrophobicContact CB-CG2 3.96Å
502	G	63.3	Low	56.9	Low	34 Å²	34	109.1 Å²	109.1	35%	0.351	52%	0.524	S	S	.	.			trans	80.6	131.8	-174	0	0	0	0	0	112	E498 D504 M505 V506	E498-G502 CarbonylContact O-C 3.58Å; E498-G502 VanDerWaalsContact O-C 3.28Å; E498-G502 WeakPolarHBondContact O-CA 3.29Å; E498-G502 PolarHBondContact O-N 3.02Å; G502-D504 PolarHBondContact O-N 3.35Å; G502-M505 PolarHBondContact O-N 3.31Å; G502-V506 PolarHBondContact O-N 2.87Å
503	R	70.1	Confident	57.6	Low	152 Å²	152	107.5 Å²	107.5	57%	0.574	51%	0.508	S	S	*	.	H	α-helix	trans	-51	-34.8	-176.4	-178.5	173.5	-74.6	160.7	0.5	113.9	E498 K507	E498-R503 HydrophobicContact CB-CB 4.41Å; E498-R503 PolarHBondContact O-N 2.9Å; E498-R503 IonicContact OE2-CZ 3.47Å; E498-R503 IonicContact OE2-NE 3.64Å; E498-R503 PolarHBondContact OE2-NE 2.63Å; E498-R503 IonicContact OE2-NH2 3.53Å; E498-R503 PolarHBondContact OE2-NH2 3.05Å; R503-K507 HydrophobicContact CG-CD 4.16Å; R503-K507 WeakPolarHBondContact O-CB 3.3Å; R503-K507 VanDerWaalsContact O-CG 3.26Å; R503-K507 WeakPolarHBondContact O-CG 3.26Å; R503-K507 PolarHBondContact O-N 2.88Å
504	D	67.5	Low	58.2	Low	118 Å²	118	105.1 Å²	105.1	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-76.7	-31.7	179.7	-68.1	-23.5	0	0	0	113.7	G502 N508	G502-D504 PolarHBondContact O-N 3.35Å; D504-N508 WeakPolarHBondContact O-CB 3.34Å; D504-N508 PolarHBondContact O-N 2.87Å
505	M	66.9	Low	58.9	Low	113 Å²	113	97.8 Å²	97.8	56%	0.557	49%	0.491	S	S	*	.	H	α-helix	trans	-71.6	-38	174.2	-165.2	162.5	70.5	0	0	110.8	F501 G502 N508 S509	F501-M505 HydrophobicContact CB-CE 3.68Å; F501-M505 HydrophobicContact CD1-CE 3.66Å; F501-M505 HydrophobicContact CG-CE 4.07Å; F501-M505 WeakPolarHBondContact O-CB 3.45Å; G502-M505 PolarHBondContact O-N 3.31Å; M505-N508 PolarHBondContact O-N 3.49Å; M505-S509 PolarHBondContact O-N 2.92Å; M505-S509 PolarHBondContact O-OG 2.73Å
506	V	66.9	Low	59	Low	2 Å²	2	99.9 Å²	99.9	1%	0.012	50%	0.501	C	S	.	.	H	α-helix	trans	-69.2	-36.6	174.1	-179.5	0	0	0	0	112	E497 E498 F501 G502 S509 R510	E497-V506 HydrophobicContact CB-CG2 4.36Å; E497-V506 HydrophobicContact CG-CG1 4.32Å; E497-V506 HydrophobicContact CG-CG2 3.77Å; E497-V506 WeakPolarHBondContact OE2-CG1 3.39Å; E498-V506 HydrophobicContact CG-CB 4.21Å; E498-V506 HydrophobicContact CG-CG1 4.09Å; E498-V506 HydrophobicContact CG-CG2 4.44Å; F501-V506 HydrophobicContact CB-CG2 3.96Å; G502-V506 PolarHBondContact O-N 2.87Å; V506-S509 PolarHBondContact O-OG 2.98Å; V506-R510 WeakPolarHBondContact O-CB 3.32Å; V506-R510 VanDerWaalsContact O-CG 3.24Å; V506-R510 WeakPolarHBondContact O-CG 3.35Å; V506-R510 PolarHBondContact O-N 3.23Å
507	K	69	Low	58	Low	109 Å²	109	101.2 Å²	101.2	47%	0.474	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-40.3	170.7	-80.3	175	177.6	-180	0	112.4	R503 R511	R503-K507 HydrophobicContact CG-CD 4.16Å; R503-K507 WeakPolarHBondContact O-CB 3.3Å; R503-K507 VanDerWaalsContact O-CG 3.26Å; R503-K507 WeakPolarHBondContact O-CG 3.26Å; R503-K507 PolarHBondContact O-N 2.88Å; K507-R511 WeakPolarHBondContact O-CB 3.25Å; K507-R511 WeakPolarHBondContact O-CG 3.41Å; K507-R511 PolarHBondContact O-N 3.03Å
508	N	66.2	Low	57.6	Low	90 Å²	90	102.1 Å²	102.1	48%	0.481	52%	0.521	S	S	.	.	H	α-helix	trans	-72.2	-38.5	177.8	-90.3	-6.5	0	0	0	112.6	D504 M505 R511 I512	D504-N508 WeakPolarHBondContact O-CB 3.34Å; D504-N508 PolarHBondContact O-N 2.87Å; M505-N508 PolarHBondContact O-N 3.49Å; N508-R511 PolarHBondContact O-N 3.48Å; N508-I512 WeakPolarHBondContact O-CB 3.39Å; N508-I512 WeakPolarHBondContact O-CD1 3.26Å; N508-I512 WeakPolarHBondContact O-CG1 3.24Å; N508-I512 PolarHBondContact O-N 3.19Å
509	S	61.6	Low	56.7	Low	34 Å²	34	109 Å²	109	24%	0.238	55%	0.554	C	S	.	*	H	α-helix	trans	-60.5	-47.6	171.5	65.4	0	0	0	0	110.6	M505 V506 R511 I512 Y513	M505-S509 PolarHBondContact O-N 2.92Å; M505-S509 PolarHBondContact O-OG 2.73Å; V506-S509 PolarHBondContact O-OG 2.98Å; S509-R511 VanDerWaalsContact C-N 3.3Å; S509-R511 PolarHBondContact O-N 3.13Å; S509-I512 PolarHBondContact O-N 3.44Å; S509-I512 VanDerWaalsContact O-N 3.1Å; S509-Y513 WeakPolarHBondContact O-CD2 3.44Å; S509-Y513 PolarHBondContact O-N 2.89Å
510	R	60.8	Low	55.9	Low	148 Å²	148	111.9 Å²	111.9	56%	0.558	57%	0.566	S	S	*	*	H	α-helix	trans	-62.8	-30.9	176	-68.5	176.2	-168	-157.1	4.4	113.5	E497 V506 G514	E497-R510 IonicContact OE2-CZ 3.17Å; E497-R510 IonicContact OE2-NE 2.76Å; E497-R510 IonicContact OE2-NH2 2.9Å; E497-R510 PolarHBondContact OE2-NH2 3.36Å; V506-R510 WeakPolarHBondContact O-CB 3.32Å; V506-R510 VanDerWaalsContact O-CG 3.24Å; V506-R510 WeakPolarHBondContact O-CG 3.35Å; V506-R510 PolarHBondContact O-N 3.23Å; R510-G514 VanDerWaalsContact O-CA 3.26Å; R510-G514 WeakPolarHBondContact O-CA 3.17Å; R510-G514 PolarHBondContact O-N 3.4Å
511	R	59.1	Low	55.7	Low	198 Å²	198	110.6 Å²	110.6	75%	0.747	56%	0.561	S	S	*	*	H	α-helix	trans	-72.4	-34.5	171.4	-83	-179.5	164.7	-171.9	-5.8	113.8	K507 N508 S509	K507-R511 WeakPolarHBondContact O-CB 3.25Å; K507-R511 WeakPolarHBondContact O-CG 3.41Å; K507-R511 PolarHBondContact O-N 3.03Å; N508-R511 PolarHBondContact O-N 3.48Å; S509-R511 VanDerWaalsContact C-N 3.3Å; S509-R511 PolarHBondContact O-N 3.13Å
512	I	56.8	Low	55.1	Low	119 Å²	119	113.3 Å²	113.3	61%	0.61	58%	0.575	S	S	*	*	H	α-helix	trans	-75.5	-35.5	179.1	-67.6	163.1	0	0	0	110.9	N508 S509	N508-I512 WeakPolarHBondContact O-CB 3.39Å; N508-I512 WeakPolarHBondContact O-CD1 3.26Å; N508-I512 WeakPolarHBondContact O-CG1 3.24Å; N508-I512 PolarHBondContact O-N 3.19Å; S509-I512 PolarHBondContact O-N 3.44Å; S509-I512 VanDerWaalsContact O-N 3.1Å
513	Y	48.6	Very low	54.6	Low	100 Å²	100	117.8 Å²	117.8	39%	0.392	59%	0.591	S	S	.	*	H	α-helix	trans	-107.3	-19.7	-172.8	-54.3	-56.8	0	0	0	115.1	S509 A515 L525 W528	S509-Y513 WeakPolarHBondContact O-CD2 3.44Å; S509-Y513 PolarHBondContact O-N 2.89Å; Y513-A515 PolarHBondContact O-N 2.86Å; Y513-L525 HydrophobicContact CD1-CD1 3.44Å; Y513-L525 VanDerWaalsContact CD1-CD1 3.44Å; Y513-L525 HydrophobicContact CD2-CD1 4.06Å; Y513-L525 HydrophobicContact CE1-CD1 3.61Å; Y513-L525 HydrophobicContact CE2-CD1 4.24Å; Y513-L525 HydrophobicContact CG-CD1 3.69Å; Y513-L525 HydrophobicContact CG-CD2 4.45Å; Y513-W528 WeakPolarHBondContact OH-CZ3 2.99Å
514	G	43.8	Very low	53.8	Low	70 Å²	70	114.9 Å²	114.9	72%	0.722	59%	0.587	S	S	*	*	S	Bend	trans	-93.3	20	-174.4	0	0	0	0	0	116	R510	R510-G514 VanDerWaalsContact O-CA 3.26Å; R510-G514 WeakPolarHBondContact O-CA 3.17Å; R510-G514 PolarHBondContact O-N 3.4Å
515	A	47	Very low	53.2	Low	79 Å²	79	112.7 Å²	112.7	65%	0.653	58%	0.575	S	S	*	*	S	Bend	trans	-116.4	-11.6	-168	0	0	0	0	0	115.9	Y513	Y513-A515 PolarHBondContact O-N 2.86Å
516	K	44.2	Very low	52.7	Low	176 Å²	176	114 Å²	114	77%	0.765	58%	0.579	S	S	*	*			trans	-144.6	110.2	176.2	-70.2	-162.9	174.2	-164.6	0	111.5
517	S	32.8	Very low	52.4	Low	118 Å²	118	120.1 Å²	120.1	83%	0.825	60%	0.602	S	S	*	*			trans	-84.2	110.5	170.2	50.3	0	0	0	0	110
518	D	43.3	Very low	52.2	Low	107 Å²	107	121.4 Å²	121.4	57%	0.572	60%	0.604	S	S	*	*			trans	-138.3	125.9	164.5	-74.9	-60.4	0	0	0	107.1	H520 N521	D518-H520 PolarHBondContact O-N 3.47Å; D518-N521 PolarHBondContact O-N 3.39Å; D518-N521 VanDerWaalsContact O-N 3.08Å
519	E	46.2	Very low	51.8	Low	203 Å²	203	119 Å²	119	95%	0.949	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	15.3	-153.7	-60.3	-179.5	125.7	0	0	116.3
520	H	48.7	Very low	51.7	Low	171 Å²	171	119.9 Å²	119.9	79%	0.792	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	3.8	171	-91.4	-11.8	0	0	0	114.1	D518	D518-H520 PolarHBondContact O-N 3.47Å
521	N	48.7	Very low	51.9	Low	81 Å²	81	117.2 Å²	117.2	43%	0.433	60%	0.599	S	S	.	*	H	α-helix	trans	-83.1	-13.6	-177.7	-87.9	-48.3	0	0	0	115.7	D518 D523 N524 L525	D518-N521 PolarHBondContact O-N 3.39Å; D518-N521 VanDerWaalsContact O-N 3.08Å; N521-D523 PolarHBondContact O-N 2.86Å; N521-N524 PolarHBondContact O-N 3.45Å; N521-L525 PolarHBondContact O-N 2.84Å
522	E	44.8	Very low	52	Low	157 Å²	157	111.3 Å²	111.3	73%	0.734	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-38.8	179.7	-64.7	-154.8	147.5	0	0	112.7	N524 L525 H526	E522-N524 VanDerWaalsContact C-N 3.35Å; E522-N524 PolarHBondContact O-N 3.21Å; E522-L525 PolarHBondContact O-N 3.22Å; E522-H526 WeakPolarHBondContact O-CB 3.27Å; E522-H526 PolarHBondContact O-N 3.22Å
523	D	54.1	Low	52.2	Low	129 Å²	129	111.5 Å²	111.5	69%	0.69	58%	0.579	S	S	*	*	H	α-helix	trans	-63.7	-38.8	174.6	-88.8	-30.4	0	0	0	112.2	N521 H526 R527	N521-D523 PolarHBondContact O-N 2.86Å; D523-H526 PolarHBondContact O-N 3.06Å; D523-R527 WeakPolarHBondContact O-CB 3.38Å; D523-R527 PolarHBondContact O-N 3.32Å
524	N	52.2	Low	53	Low	91 Å²	91	113.1 Å²	113.1	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-66.4	-39.9	174.4	-83.2	-40.4	0	0	0	111.6	N521 E522 R527 W528	N521-N524 PolarHBondContact O-N 3.45Å; E522-N524 VanDerWaalsContact C-N 3.35Å; E522-N524 PolarHBondContact O-N 3.21Å; N524-R527 PolarHBondContact O-N 2.9Å; N524-W528 WeakPolarHBondContact O-CB 3.26Å; N524-W528 PolarHBondContact O-N 3.14Å
525	L	55.9	Low	53.5	Low	72 Å²	72	112.6 Å²	112.6	38%	0.377	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-46	175.6	-176	57.8	0	0	0	111.4	Y513 N521 E522 W528 A529	Y513-L525 HydrophobicContact CD1-CD1 3.44Å; Y513-L525 VanDerWaalsContact CD1-CD1 3.44Å; Y513-L525 HydrophobicContact CD2-CD1 4.06Å; Y513-L525 HydrophobicContact CE1-CD1 3.61Å; Y513-L525 HydrophobicContact CE2-CD1 4.24Å; Y513-L525 HydrophobicContact CG-CD1 3.69Å; Y513-L525 HydrophobicContact CG-CD2 4.45Å; N521-L525 PolarHBondContact O-N 2.84Å; E522-L525 PolarHBondContact O-N 3.22Å; L525-W528 PolarHBondContact O-N 3.36Å; L525-A529 VanDerWaalsContact O-CB 3.23Å; L525-A529 WeakPolarHBondContact O-CB 3.14Å; L525-A529 PolarHBondContact O-N 3.32Å
526	H	56.9	Low	54	Low	140 Å²	140	111.8 Å²	111.8	65%	0.648	56%	0.561	S	S	*	*	H	α-helix	trans	-64.3	-40.7	174.8	-96.9	-53.4	0	0	0	112.5	E522 D523 S530	E522-H526 WeakPolarHBondContact O-CB 3.27Å; E522-H526 PolarHBondContact O-N 3.22Å; D523-H526 PolarHBondContact O-N 3.06Å; H526-S530 WeakPolarHBondContact O-CB 3.28Å; H526-S530 PolarHBondContact O-N 2.78Å
527	R	59.4	Low	54.7	Low	130 Å²	130	110.8 Å²	110.8	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-62.8	-46.5	175.6	-173.4	176.4	-177.3	-127.9	3.8	110.9	D523 N524 S530 I531	D523-R527 WeakPolarHBondContact O-CB 3.38Å; D523-R527 PolarHBondContact O-N 3.32Å; N524-R527 PolarHBondContact O-N 2.9Å; R527-S530 PolarHBondContact O-N 3.47Å; R527-I531 HydrophobicContact CG-CD1 4.23Å; R527-I531 VanDerWaalsContact O-CG1 3.3Å; R527-I531 WeakPolarHBondContact O-CG1 3.42Å; R527-I531 PolarHBondContact O-N 2.75Å
528	W	64.3	Low	55.8	Low	136 Å²	136	107.4 Å²	107.4	52%	0.515	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-45.3	178.6	-166.7	91.3	0	0	0	112.2	Y513 N524 L525 S530 I531 H532	Y513-W528 WeakPolarHBondContact OH-CZ3 2.99Å; N524-W528 WeakPolarHBondContact O-CB 3.26Å; N524-W528 PolarHBondContact O-N 3.14Å; L525-W528 PolarHBondContact O-N 3.36Å; W528-S530 VanDerWaalsContact C-N 3.31Å; W528-S530 PolarHBondContact O-N 2.98Å; W528-I531 PolarHBondContact O-N 3.49Å; W528-H532 HydrophobicContact CE3-CB 4.38Å; W528-H532 AromaticContact CH2-CD2 3.4Å; W528-H532 WeakPolarHBondContact CH2-CD2 3.09Å; W528-H532 AromaticContact CZ2-CD2 3.93Å; W528-H532 HydrophobicContact CZ3-CB 4.24Å; W528-H532 AromaticContact CZ3-CD2 3.76Å; W528-H532 WeakPolarHBondContact O-CB 3.34Å; W528-H532 PolarHBondContact O-N 2.94Å
529	A	59.5	Low	56.4	Low	40 Å²	40	108.7 Å²	108.7	33%	0.331	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-39.3	174.2	0	0	0	0	0	112	L525 H532 M533	L525-A529 VanDerWaalsContact O-CB 3.23Å; L525-A529 WeakPolarHBondContact O-CB 3.14Å; L525-A529 PolarHBondContact O-N 3.32Å; A529-H532 PolarHBondContact O-N 3.1Å; A529-M533 WeakPolarHBondContact O-CB 3.47Å; A529-M533 VanDerWaalsContact O-CG 3.26Å; A529-M533 WeakPolarHBondContact O-CG 3.09Å; A529-M533 PolarHBondContact O-N 3.29Å
530	S	59.6	Low	56.8	Low	53 Å²	53	104.2 Å²	104.2	37%	0.371	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-40.4	174.5	-173.4	0	0	0	0	112.2	H526 R527 W528 K534	H526-S530 WeakPolarHBondContact O-CB 3.28Å; H526-S530 PolarHBondContact O-N 2.78Å; R527-S530 PolarHBondContact O-N 3.47Å; W528-S530 VanDerWaalsContact C-N 3.31Å; W528-S530 PolarHBondContact O-N 2.98Å; S530-K534 WeakPolarHBondContact O-CB 3.43Å; S530-K534 WeakPolarHBondContact O-CD 3.45Å; S530-K534 WeakPolarHBondContact O-CG 3.34Å; S530-K534 PolarHBondContact O-N 3.48Å
531	I	64.6	Low	57.4	Low	91 Å²	91	99 Å²	99	47%	0.467	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-46.6	173	-69.1	163.4	0	0	0	110.5	R527 W528 M533 K534 A535	R527-I531 HydrophobicContact CG-CD1 4.23Å; R527-I531 VanDerWaalsContact O-CG1 3.3Å; R527-I531 WeakPolarHBondContact O-CG1 3.42Å; R527-I531 PolarHBondContact O-N 2.75Å; W528-I531 PolarHBondContact O-N 3.49Å; I531-M533 VanDerWaalsContact C-N 3.34Å; I531-M533 PolarHBondContact O-N 3.22Å; I531-K534 WeakPolarHBondContact O-CB 3.48Å; I531-K534 PolarHBondContact O-N 2.98Å; I531-A535 WeakPolarHBondContact O-CB 3.36Å; I531-A535 PolarHBondContact O-N 3.4Å
532	H	60.2	Low	58.2	Low	74 Å²	74	96.8 Å²	96.8	34%	0.343	47%	0.473	S	S	.	.	H	α-helix	trans	-64.5	-37.5	-179.9	-157.3	-68.8	0	0	0	112.2	W528 A529 A535 L536	W528-H532 HydrophobicContact CE3-CB 4.38Å; W528-H532 AromaticContact CH2-CD2 3.4Å; W528-H532 WeakPolarHBondContact CH2-CD2 3.09Å; W528-H532 AromaticContact CZ2-CD2 3.93Å; W528-H532 HydrophobicContact CZ3-CB 4.24Å; W528-H532 AromaticContact CZ3-CD2 3.76Å; W528-H532 WeakPolarHBondContact O-CB 3.34Å; W528-H532 PolarHBondContact O-N 2.94Å; A529-H532 PolarHBondContact O-N 3.1Å; H532-A535 PolarHBondContact O-N 2.65Å; H532-L536 WeakPolarHBondContact ND1-CD1 3.39Å; H532-L536 WeakPolarHBondContact O-CB 3.5Å; H532-L536 WeakPolarHBondContact O-CG 3.25Å; H532-L536 PolarHBondContact O-N 3.1Å
533	M	61	Low	59.2	Low	124 Å²	124	93.6 Å²	93.6	61%	0.611	46%	0.458	S	S	*	.	H	α-helix	trans	-71.4	-32.2	174.5	-72.6	-68.9	-103.7	0	0	112.9	A529 I531 L536 R537	A529-M533 WeakPolarHBondContact O-CB 3.47Å; A529-M533 VanDerWaalsContact O-CG 3.26Å; A529-M533 WeakPolarHBondContact O-CG 3.09Å; A529-M533 PolarHBondContact O-N 3.29Å; I531-M533 VanDerWaalsContact C-N 3.34Å; I531-M533 PolarHBondContact O-N 3.22Å; M533-L536 HydrophobicContact SD-CD1 4.33Å; M533-R537 VanDerWaalsContact O-CB 3.32Å; M533-R537 WeakPolarHBondContact O-CB 3.2Å; M533-R537 PolarHBondContact O-N 2.97Å
534	K	66.3	Low	59.8	Low	134 Å²	134	91.4 Å²	91.4	58%	0.583	45%	0.445	S	S	*	.	H	α-helix	trans	-66.8	-43	169.2	-72.6	163.7	-171.3	170.5	0	111.3	S530 I531 R537 A538	S530-K534 WeakPolarHBondContact O-CB 3.43Å; S530-K534 WeakPolarHBondContact O-CD 3.45Å; S530-K534 WeakPolarHBondContact O-CG 3.34Å; S530-K534 PolarHBondContact O-N 3.48Å; I531-K534 WeakPolarHBondContact O-CB 3.48Å; I531-K534 PolarHBondContact O-N 2.98Å; K534-R537 PolarHBondContact O-N 3.26Å; K534-A538 PolarHBondContact O-N 3.17Å
535	A	54.7	Low	60.4	Low	58 Å²	58	89.5 Å²	89.5	48%	0.479	44%	0.442	S	S	.	.	H	α-helix	trans	-64.2	-44.8	177.3	0	0	0	0	0	111.9	I531 H532 A538 Y539	I531-A535 WeakPolarHBondContact O-CB 3.36Å; I531-A535 PolarHBondContact O-N 3.4Å; H532-A535 PolarHBondContact O-N 2.65Å; A535-A538 PolarHBondContact O-N 2.88Å; A535-Y539 WeakPolarHBondContact O-CB 3.48Å; A535-Y539 PolarHBondContact O-N 2.63Å
536	L	57.6	Low	60.8	Low	62 Å²	62	87.3 Å²	87.3	33%	0.325	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-41.6	173.2	-74	170.7	0	0	0	111.9	H532 M533 Y539 F540	H532-L536 WeakPolarHBondContact ND1-CD1 3.39Å; H532-L536 WeakPolarHBondContact O-CB 3.5Å; H532-L536 WeakPolarHBondContact O-CG 3.25Å; H532-L536 PolarHBondContact O-N 3.1Å; M533-L536 HydrophobicContact SD-CD1 4.33Å; L536-Y539 WeakPolarHBondContact O-CB 3.37Å; L536-Y539 PolarHBondContact O-N 3.14Å; L536-F540 HydrophobicContact CB-CE2 4.49Å; L536-F540 WeakPolarHBondContact O-CD2 3.36Å; L536-F540 PolarHBondContact O-N 2.97Å
537	R	58.7	Low	61.2	Low	155 Å²	155	86.2 Å²	86.2	59%	0.585	43%	0.429	S	S	*	.	H	α-helix	trans	-59.5	-47.9	173.8	179.3	-179.3	-65.5	-120.1	-1.1	111.6	M533 K534 Y539 F540 E541	M533-R537 VanDerWaalsContact O-CB 3.32Å; M533-R537 WeakPolarHBondContact O-CB 3.2Å; M533-R537 PolarHBondContact O-N 2.97Å; K534-R537 PolarHBondContact O-N 3.26Å; R537-Y539 VanDerWaalsContact C-N 3.32Å; R537-Y539 PolarHBondContact O-N 2.82Å; R537-F540 PolarHBondContact O-N 3.26Å; R537-E541 WeakPolarHBondContact CD-OE1 3.34Å; R537-E541 HydrophobicContact CG-CG 4.45Å; R537-E541 WeakPolarHBondContact CG-OE1 3.45Å; R537-E541 WeakPolarHBondContact O-CB 3.27Å; R537-E541 WeakPolarHBondContact O-CG 3.48Å; R537-E541 PolarHBondContact O-N 3.4Å
538	A	54.5	Low	61.4	Low	47 Å²	47	85.1 Å²	85.1	39%	0.388	43%	0.429	S	S	.	.	H	α-helix	trans	-61.6	-40.2	177	0	0	0	0	0	111.8	K534 A535 E541 V542	K534-A538 PolarHBondContact O-N 3.17Å; A535-A538 PolarHBondContact O-N 2.88Å; A538-E541 PolarHBondContact O-N 3.49Å; A538-V542 WeakPolarHBondContact O-CB 3.45Å; A538-V542 WeakPolarHBondContact O-CG2 3.44Å; A538-V542 PolarHBondContact O-N 3.08Å
539	Y	56.3	Low	61.2	Low	134 Å²	134	81.3 Å²	81.3	53%	0.525	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-45	174.7	-178.6	-94.9	0	0	0	112.3	A535 L536 R537 V542 Q543	A535-Y539 WeakPolarHBondContact O-CB 3.48Å; A535-Y539 PolarHBondContact O-N 2.63Å; L536-Y539 WeakPolarHBondContact O-CB 3.37Å; L536-Y539 PolarHBondContact O-N 3.14Å; R537-Y539 VanDerWaalsContact C-N 3.32Å; R537-Y539 PolarHBondContact O-N 2.82Å; Y539-V542 PolarHBondContact O-N 3.5Å; Y539-Q543 HydrophobicContact CE1-CG 4.21Å; Y539-Q543 VanDerWaalsContact CE1-NE2 3.27Å; Y539-Q543 VanDerWaalsContact CZ-NE2 3.33Å; Y539-Q543 PolarHBondContact O-N 2.87Å; Y539-Q543 PolarHBondContact OH-NE2 3.41Å
540	F	55.9	Low	61.2	Low	110 Å²	110	83.2 Å²	83.2	48%	0.482	42%	0.424	S	S	.	.	H	α-helix	trans	-71.2	-33.4	175	-69.7	-58.8	0	0	0	113.2	L536 R537 Q543 I544	L536-F540 HydrophobicContact CB-CE2 4.49Å; L536-F540 WeakPolarHBondContact O-CD2 3.36Å; L536-F540 PolarHBondContact O-N 2.97Å; R537-F540 PolarHBondContact O-N 3.26Å; F540-Q543 PolarHBondContact O-N 3.48Å; F540-I544 WeakPolarHBondContact O-CB 3.28Å; F540-I544 WeakPolarHBondContact O-CD1 3.39Å; F540-I544 VanDerWaalsContact O-CG1 3.25Å; F540-I544 WeakPolarHBondContact O-CG1 3.43Å; F540-I544 PolarHBondContact O-N 2.92Å
541	E	60.5	Low	61.5	Low	61 Å²	61	87.1 Å²	87.1	29%	0.285	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-42.1	171.6	-76.5	174.9	-157.6	0	0	111	R537 A538 I544 A545	R537-E541 WeakPolarHBondContact CD-OE1 3.34Å; R537-E541 HydrophobicContact CG-CG 4.45Å; R537-E541 WeakPolarHBondContact CG-OE1 3.45Å; R537-E541 WeakPolarHBondContact O-CB 3.27Å; R537-E541 WeakPolarHBondContact O-CG 3.48Å; R537-E541 PolarHBondContact O-N 3.4Å; A538-E541 PolarHBondContact O-N 3.49Å; E541-I544 PolarHBondContact O-N 2.88Å; E541-A545 WeakPolarHBondContact O-CB 3.35Å; E541-A545 PolarHBondContact O-N 3.21Å
542	V	66.2	Low	61.4	Low	35 Å²	35	88.8 Å²	88.8	21%	0.212	44%	0.439	C	S	.	.	H	α-helix	trans	-66.9	-42.7	174	170.6	0	0	0	0	112.1	Y276 A538 Y539 A545 L546	Y276-V542 HydrophobicContact CD1-CG2 4.13Å; Y276-V542 HydrophobicContact CD2-CG2 4.41Å; Y276-V542 HydrophobicContact CE1-CG2 3.65Å; Y276-V542 HydrophobicContact CE2-CG2 3.97Å; Y276-V542 HydrophobicContact CG-CG2 4.48Å; A538-V542 WeakPolarHBondContact O-CB 3.45Å; A538-V542 WeakPolarHBondContact O-CG2 3.44Å; A538-V542 PolarHBondContact O-N 3.08Å; Y539-V542 PolarHBondContact O-N 3.5Å; V542-A545 PolarHBondContact O-N 3.48Å; V542-L546 HydrophobicContact CG1-CD1 4.02Å; V542-L546 HydrophobicContact CG1-CG 4.46Å; V542-L546 WeakPolarHBondContact O-CB 3.46Å; V542-L546 WeakPolarHBondContact O-CG 3.33Å; V542-L546 PolarHBondContact O-N 2.93Å
543	Q	65.9	Low	61.2	Low	90 Å²	90	89 Å²	89	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-42.2	175	-79.2	-155.4	1.5	0	0	112.4	Y539 F540 A545 L546 L547	Y539-Q543 HydrophobicContact CE1-CG 4.21Å; Y539-Q543 VanDerWaalsContact CE1-NE2 3.27Å; Y539-Q543 VanDerWaalsContact CZ-NE2 3.33Å; Y539-Q543 PolarHBondContact O-N 2.87Å; Y539-Q543 PolarHBondContact OH-NE2 3.41Å; F540-Q543 PolarHBondContact O-N 3.48Å; Q543-A545 VanDerWaalsContact C-N 3.34Å; Q543-L546 WeakPolarHBondContact O-CB 3.25Å; Q543-L546 PolarHBondContact O-N 2.83Å; Q543-L547 WeakPolarHBondContact O-CB 3.32Å; Q543-L547 PolarHBondContact O-N 3.33Å
544	I	65.2	Low	60.7	Low	83 Å²	83	84.5 Å²	84.5	43%	0.426	43%	0.427	S	S	.	.	H	α-helix	trans	-67.8	-36.8	177.5	-69.4	166.5	0	0	0	110.9	F540 E541 L547 H548	F540-I544 WeakPolarHBondContact O-CB 3.28Å; F540-I544 WeakPolarHBondContact O-CD1 3.39Å; F540-I544 VanDerWaalsContact O-CG1 3.25Å; F540-I544 WeakPolarHBondContact O-CG1 3.43Å; F540-I544 PolarHBondContact O-N 2.92Å; E541-I544 PolarHBondContact O-N 2.88Å; I544-L547 PolarHBondContact O-N 3.04Å; I544-H548 VanDerWaalsContact O-CB 3.3Å; I544-H548 WeakPolarHBondContact O-CB 3.42Å; I544-H548 PolarHBondContact O-N 3.31Å
545	A	65.8	Low	59.8	Low	50 Å²	50	83.7 Å²	83.7	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-40.6	172.7	0	0	0	0	0	112.2	E541 V542 Q543 C549	E541-A545 WeakPolarHBondContact O-CB 3.35Å; E541-A545 PolarHBondContact O-N 3.21Å; V542-A545 PolarHBondContact O-N 3.48Å; Q543-A545 VanDerWaalsContact C-N 3.34Å; A545-C549 WeakPolarHBondContact O-CB 3.38Å; A545-C549 PolarHBondContact O-N 2.78Å; A545-C549 PolarHBondContact O-SG 3.32Å; A545-C549 VanDerWaalsContact O-SG 3.33Å
546	L	63.7	Low	59.7	Low	27 Å²	27	89.8 Å²	89.8	14%	0.141	44%	0.436	C	S	.	.	H	α-helix	trans	-60.8	-50.7	172.7	-79.4	165.9	0	0	0	111.2	I272 V542 Q543 H548 C549 E550	I272-L546 HydrophobicContact CB-CD2 3.97Å; I272-L546 HydrophobicContact CD1-CD2 3.7Å; I272-L546 HydrophobicContact CG1-CD2 4.45Å; I272-L546 HydrophobicContact CG2-CD2 3.66Å; I272-L546 HydrophobicContact CG2-CG 4.5Å; V542-L546 HydrophobicContact CG1-CD1 4.02Å; V542-L546 HydrophobicContact CG1-CG 4.46Å; V542-L546 WeakPolarHBondContact O-CB 3.46Å; V542-L546 WeakPolarHBondContact O-CG 3.33Å; V542-L546 PolarHBondContact O-N 2.93Å; Q543-L546 WeakPolarHBondContact O-CB 3.25Å; Q543-L546 PolarHBondContact O-N 2.83Å; L546-H548 VanDerWaalsContact C-N 3.31Å; L546-H548 PolarHBondContact O-N 2.65Å; L546-C549 CarbonylContact O-C 3.57Å; L546-C549 WeakPolarHBondContact O-CA 3.46Å; L546-C549 VanDerWaalsContact O-CB 3.32Å; L546-C549 WeakPolarHBondContact O-CB 3.43Å; L546-C549 PolarHBondContact O-N 2.84Å; L546-E550 WeakPolarHBondContact O-CG 3.45Å; L546-E550 PolarHBondContact O-N 3.35Å
547	L	65.3	Low	59.5	Low	117 Å²	117	93.2 Å²	93.2	61%	0.613	45%	0.448	S	S	*	.	H	α-helix	trans	-65.3	-33.8	-178.3	-152.9	159.5	0	0	0	111.9	Q543 I544 E550 K551	Q543-L547 WeakPolarHBondContact O-CB 3.32Å; Q543-L547 PolarHBondContact O-N 3.33Å; I544-L547 PolarHBondContact O-N 3.04Å; L547-E550 PolarHBondContact O-N 3.12Å; L547-K551 PolarHBondContact O-N 3.24Å
548	H	64.1	Low	59.5	Low	107 Å²	107	90.2 Å²	90.2	50%	0.495	44%	0.444	S	S	.	.	H	α-helix	trans	-71.9	-33.6	171.2	-171.1	-127.1	0	0	0	112.8	I544 L546 K552	I544-H548 VanDerWaalsContact O-CB 3.3Å; I544-H548 WeakPolarHBondContact O-CB 3.42Å; I544-H548 PolarHBondContact O-N 3.31Å; L546-H548 VanDerWaalsContact C-N 3.31Å; L546-H548 PolarHBondContact O-N 2.65Å; H548-K552 WeakPolarHBondContact O-CG 3.3Å; H548-K552 PolarHBondContact O-N 3.27Å
549	C	59.5	Low	59.7	Low	56 Å²	56	90.4 Å²	90.4	38%	0.378	45%	0.445	S	S	.	.	H	α-helix	trans	-67.5	-41.1	169.6	-79	0	0	0	0	111.9	A545 L546 K552 I553	A545-C549 WeakPolarHBondContact O-CB 3.38Å; A545-C549 PolarHBondContact O-N 2.78Å; A545-C549 PolarHBondContact O-SG 3.32Å; A545-C549 VanDerWaalsContact O-SG 3.33Å; L546-C549 CarbonylContact O-C 3.57Å; L546-C549 WeakPolarHBondContact O-CA 3.46Å; L546-C549 VanDerWaalsContact O-CB 3.32Å; L546-C549 WeakPolarHBondContact O-CB 3.43Å; L546-C549 PolarHBondContact O-N 2.84Å; C549-K552 CarbonylContact O-C 3.59Å; C549-K552 PolarHBondContact O-N 3.42Å; C549-K552 VanDerWaalsContact O-N 3.16Å; C549-I553 WeakPolarHBondContact O-CB 3.47Å; C549-I553 VanDerWaalsContact O-CG1 3.24Å; C549-I553 WeakPolarHBondContact O-CG1 3.33Å; C549-I553 PolarHBondContact O-N 3.15Å
550	E	59.9	Low	60.2	Low	79 Å²	79	90 Å²	90	37%	0.369	45%	0.448	S	S	.	.	H	α-helix	trans	-59.2	-45.7	172.7	-73.8	167.9	-179.4	0	0	110.7	L265 L546 L547 K552 I553 G554	L265-E550 HydrophobicContact CD1-CG 4.47Å; L546-E550 WeakPolarHBondContact O-CG 3.45Å; L546-E550 PolarHBondContact O-N 3.35Å; L547-E550 PolarHBondContact O-N 3.12Å; E550-K552 VanDerWaalsContact C-N 3.35Å; E550-K552 PolarHBondContact O-N 3.35Å; E550-I553 CarbonylContact O-C 3.56Å; E550-I553 PolarHBondContact O-N 2.94Å; E550-I553 VanDerWaalsContact O-N 3.1Å; E550-G554 PolarHBondContact O-N 3.16Å
551	K	66.6	Low	60.8	Low	136 Å²	136	90.7 Å²	90.7	59%	0.591	45%	0.452	S	S	*	.	H	α-helix	trans	-58.7	-44.1	172.4	-170.8	176.9	179.6	-177.4	0	111.8	L547 I553 G554 H555	L547-K551 PolarHBondContact O-N 3.24Å; K551-I553 VanDerWaalsContact C-N 3.31Å; K551-I553 PolarHBondContact O-N 3.38Å; K551-G554 PolarHBondContact O-N 2.87Å; K551-H555 PolarHBondContact O-CD2 2.84Å; K551-H555 PolarHBondContact O-N 3.45Å
552	K	61	Low	60.9	Low	125 Å²	125	95 Å²	95	54%	0.543	47%	0.467	S	S	.	.	H	α-helix	trans	-67.3	-26	174.8	-76.2	-170.8	174.5	-170	0	113.9	H548 C549 E550 R556	H548-K552 WeakPolarHBondContact O-CG 3.3Å; H548-K552 PolarHBondContact O-N 3.27Å; C549-K552 CarbonylContact O-C 3.59Å; C549-K552 PolarHBondContact O-N 3.42Å; C549-K552 VanDerWaalsContact O-N 3.16Å; E550-K552 VanDerWaalsContact C-N 3.35Å; E550-K552 PolarHBondContact O-N 3.35Å; K552-R556 WeakPolarHBondContact O-CG 3.22Å; K552-R556 PolarHBondContact O-N 3.46Å
553	I	57.1	Low	61.1	Low	78 Å²	78	95.5 Å²	95.5	40%	0.4	48%	0.475	S	S	.	.	H	α-helix	trans	-79.4	-34.1	173.1	-69.7	161.7	0	0	0	110.5	C549 E550 K551 R556 K557	C549-I553 WeakPolarHBondContact O-CB 3.47Å; C549-I553 VanDerWaalsContact O-CG1 3.24Å; C549-I553 WeakPolarHBondContact O-CG1 3.33Å; C549-I553 PolarHBondContact O-N 3.15Å; E550-I553 CarbonylContact O-C 3.56Å; E550-I553 PolarHBondContact O-N 2.94Å; E550-I553 VanDerWaalsContact O-N 3.1Å; K551-I553 VanDerWaalsContact C-N 3.31Å; K551-I553 PolarHBondContact O-N 3.38Å; I553-R556 CarbonylContact O-C 3.59Å; I553-R556 WeakPolarHBondContact O-CA 3.43Å; I553-R556 WeakPolarHBondContact O-CB 3.36Å; I553-R556 PolarHBondContact O-N 3.23Å; I553-K557 PolarHBondContact O-N 3.37Å
554	G	49	Very low	61.7	Low	30 Å²	30	98.1 Å²	98.1	31%	0.309	49%	0.485	S	S	.	.	H	α-helix	trans	-56.1	-50.8	166.4	0	0	0	0	0	111.2	E550 K551 R556 K557 N558	E550-G554 PolarHBondContact O-N 3.16Å; K551-G554 PolarHBondContact O-N 2.87Å; G554-R556 PolarHBondContact O-N 3Å; G554-R556 VanDerWaalsContact O-N 3.09Å; G554-K557 PolarHBondContact O-N 2.99Å; G554-N558 PolarHBondContact O-N 2.89Å; G554-N558 PolarHBondContact O-OD1 2.89Å; G554-N558 VanDerWaalsContact O-OD1 3.11Å
555	H	48.5	Very low	62	Low	118 Å²	118	99 Å²	99	55%	0.546	49%	0.486	S	S	.	.	H	α-helix	trans	-60.1	-18.9	171.8	-67.7	-63.6	0	0	0	114.1	K551 A559	K551-H555 PolarHBondContact O-CD2 2.84Å; K551-H555 PolarHBondContact O-N 3.45Å; H555-A559 PolarHBondContact O-N 3.4Å
556	R	52.1	Low	62.1	Low	186 Å²	186	100.2 Å²	100.2	70%	0.702	49%	0.485	S	S	*	.	H	α-helix	trans	-84.5	-28.1	169.6	-73.9	-178.6	177.9	-144	-1.9	113.7	K552 I553 G554 A559 E560	K552-R556 WeakPolarHBondContact O-CG 3.22Å; K552-R556 PolarHBondContact O-N 3.46Å; I553-R556 CarbonylContact O-C 3.59Å; I553-R556 WeakPolarHBondContact O-CA 3.43Å; I553-R556 WeakPolarHBondContact O-CB 3.36Å; I553-R556 PolarHBondContact O-N 3.23Å; G554-R556 PolarHBondContact O-N 3Å; G554-R556 VanDerWaalsContact O-N 3.09Å; R556-A559 CarbonylContact O-C 3.57Å; R556-A559 WeakPolarHBondContact O-CA 3.19Å; R556-A559 VanDerWaalsContact O-CB 3.27Å; R556-A559 WeakPolarHBondContact O-CB 3.43Å; R556-A559 PolarHBondContact O-N 3.35Å; R556-E560 PolarHBondContact O-N 2.83Å; R556-E560 VanDerWaalsContact O-N 3.1Å
557	K	54.8	Low	62.8	Low	134 Å²	134	103.9 Å²	103.9	58%	0.583	50%	0.504	S	S	*	.	H	α-helix	trans	-66.6	-41.3	168.3	-68.5	-168.3	172.5	-169.9	0	110.6	I553 G554 A559 E560 E561	I553-K557 PolarHBondContact O-N 3.37Å; G554-K557 PolarHBondContact O-N 2.99Å; K557-A559 PolarHBondContact O-N 3.11Å; K557-E560 PolarHBondContact O-N 2.96Å; K557-E561 PolarHBondContact O-N 3.4Å; K557-E561 VanDerWaalsContact O-N 3.09Å
558	N	57.4	Low	63.6	Low	92 Å²	92	104.4 Å²	104.4	49%	0.492	50%	0.504	S	S	.	.	H	α-helix	trans	-59.1	-24.3	165.5	-71.7	83.9	0	0	0	113.1	G554 Y562	G554-N558 PolarHBondContact O-N 2.89Å; G554-N558 PolarHBondContact O-OD1 2.89Å; G554-N558 VanDerWaalsContact O-OD1 3.11Å; N558-Y562 WeakPolarHBondContact O-CB 3.44Å; N558-Y562 PolarHBondContact O-N 3.47Å
559	A	58.1	Low	64	Low	50 Å²	50	103.1 Å²	103.1	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-78.8	-26.6	174.6	0	0	0	0	0	113.1	H555 R556 K557 A563	H555-A559 PolarHBondContact O-N 3.4Å; R556-A559 CarbonylContact O-C 3.57Å; R556-A559 WeakPolarHBondContact O-CA 3.19Å; R556-A559 VanDerWaalsContact O-CB 3.27Å; R556-A559 WeakPolarHBondContact O-CB 3.43Å; R556-A559 PolarHBondContact O-N 3.35Å; K557-A559 PolarHBondContact O-N 3.11Å; A559-A563 VanDerWaalsContact O-CB 3.22Å; A559-A563 WeakPolarHBondContact O-CB 3.45Å; A559-A563 PolarHBondContact O-N 2.87Å
560	E	67.5	Low	64.8	Low	126 Å²	126	104.8 Å²	104.8	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-72	-38.4	168.1	-69.6	174.8	-159.4	0	0	111.3	R556 K557 K564	R556-E560 PolarHBondContact O-N 2.83Å; R556-E560 VanDerWaalsContact O-N 3.1Å; K557-E560 PolarHBondContact O-N 2.96Å; E560-K564 WeakPolarHBondContact O-CG 3.32Å; E560-K564 PolarHBondContact O-N 2.9Å
561	E	67.9	Low	65.9	Low	124 Å²	124	104.7 Å²	104.7	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-65.2	-43.4	171.3	-67.2	173.3	167.5	0	0	111.5	K557 K564 F565	K557-E561 PolarHBondContact O-N 3.4Å; K557-E561 VanDerWaalsContact O-N 3.09Å; E561-K564 PolarHBondContact O-N 3.31Å; E561-F565 WeakPolarHBondContact O-CB 3.47Å; E561-F565 PolarHBondContact O-N 3.07Å
562	Y	62.7	Low	66.5	Low	152 Å²	152	101.1 Å²	101.1	60%	0.596	50%	0.501	S	S	*	.	H	α-helix	trans	-68.5	-33.2	176.5	-171.6	-108.5	0	0	0	112.8	N558 F565 I566	N558-Y562 WeakPolarHBondContact O-CB 3.44Å; N558-Y562 PolarHBondContact O-N 3.47Å; Y562-F565 HydrophobicContact CD2-CD1 4.35Å; Y562-F565 HydrophobicContact CE2-CD1 4.41Å; Y562-F565 PolarHBondContact O-N 2.99Å; Y562-I566 HydrophobicContact CD1-CD1 3.79Å; Y562-I566 HydrophobicContact CE1-CD1 3.52Å; Y562-I566 HydrophobicContact CE1-CG1 4.36Å; Y562-I566 WeakPolarHBondContact O-CG1 3.2Å; Y562-I566 PolarHBondContact O-N 2.98Å
563	A	70.1	Confident	67	Low	45 Å²	45	100.4 Å²	100.4	37%	0.372	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-46.5	171.1	0	0	0	0	0	111.3	A559 F565 I566 D567	A559-A563 VanDerWaalsContact O-CB 3.22Å; A559-A563 WeakPolarHBondContact O-CB 3.45Å; A559-A563 PolarHBondContact O-N 2.87Å; A563-F565 VanDerWaalsContact C-N 3.31Å; A563-F565 PolarHBondContact O-N 3.24Å; A563-I566 WeakPolarHBondContact O-CB 3.33Å; A563-I566 PolarHBondContact O-N 3.26Å; A563-I566 VanDerWaalsContact O-N 3.11Å; A563-D567 PolarHBondContact O-N 3.38Å
564	K	79.4	Confident	67.9	Low	145 Å²	145	103.8 Å²	103.8	63%	0.63	52%	0.515	S	S	*	.	H	α-helix	trans	-59.6	-41.4	173.5	-72.8	169.8	-177.9	172.6	0	112	E560 E561 I566 D567 E568	E560-K564 WeakPolarHBondContact O-CG 3.32Å; E560-K564 PolarHBondContact O-N 2.9Å; E561-K564 PolarHBondContact O-N 3.31Å; K564-I566 VanDerWaalsContact C-N 3.34Å; K564-I566 PolarHBondContact O-N 2.78Å; K564-D567 PolarHBondContact O-N 3.32Å; K564-E568 VanDerWaalsContact O-CB 3.27Å; K564-E568 WeakPolarHBondContact O-CB 3.49Å; K564-E568 PolarHBondContact O-N 2.88Å
565	F	71.4	Confident	69.5	Low	103 Å²	103	107.2 Å²	107.2	45%	0.452	52%	0.523	S	S	.	.	H	α-helix	trans	-61.9	-39.4	174	176.2	-100.7	0	0	0	112	E561 Y562 A563 Q569	E561-F565 WeakPolarHBondContact O-CB 3.47Å; E561-F565 PolarHBondContact O-N 3.07Å; Y562-F565 HydrophobicContact CD2-CD1 4.35Å; Y562-F565 HydrophobicContact CE2-CD1 4.41Å; Y562-F565 PolarHBondContact O-N 2.99Å; A563-F565 VanDerWaalsContact C-N 3.31Å; A563-F565 PolarHBondContact O-N 3.24Å; F565-Q569 HydrophobicContact CD1-CG 4.3Å; F565-Q569 HydrophobicContact CD2-CG 4.47Å; F565-Q569 HydrophobicContact CE1-CG 3.95Å; F565-Q569 HydrophobicContact CE2-CG 4.14Å; F565-Q569 HydrophobicContact CZ-CG 3.86Å; F565-Q569 WeakPolarHBondContact O-CB 3.4Å; F565-Q569 WeakPolarHBondContact O-CG 3.43Å; F565-Q569 PolarHBondContact O-N 3.1Å
566	I	67.8	Low	70.7	Confident	74 Å²	74	106.4 Å²	106.4	38%	0.379	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-46.5	172.8	-73.4	167.1	0	0	0	111.1	Y562 A563 K564 E568 Q569 V570	Y562-I566 HydrophobicContact CD1-CD1 3.79Å; Y562-I566 HydrophobicContact CE1-CD1 3.52Å; Y562-I566 HydrophobicContact CE1-CG1 4.36Å; Y562-I566 WeakPolarHBondContact O-CG1 3.2Å; Y562-I566 PolarHBondContact O-N 2.98Å; A563-I566 WeakPolarHBondContact O-CB 3.33Å; A563-I566 PolarHBondContact O-N 3.26Å; A563-I566 VanDerWaalsContact O-N 3.11Å; K564-I566 VanDerWaalsContact C-N 3.34Å; K564-I566 PolarHBondContact O-N 2.78Å; I566-E568 VanDerWaalsContact C-N 3.29Å; I566-E568 PolarHBondContact O-N 3.4Å; I566-Q569 PolarHBondContact O-N 2.91Å; I566-V570 HydrophobicContact CG2-CG2 4.31Å; I566-V570 WeakPolarHBondContact O-CB 3.5Å; I566-V570 VanDerWaalsContact O-CG2 3.27Å; I566-V570 WeakPolarHBondContact O-CG2 3.1Å; I566-V570 PolarHBondContact O-N 2.83Å
567	D	78	Confident	71.4	Confident	104 Å²	104	104.1 Å²	104.1	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-63.3	-36	178.6	-71.6	-30.3	0	0	0	112	A563 K564 S571	A563-D567 PolarHBondContact O-N 3.38Å; K564-D567 PolarHBondContact O-N 3.32Å; D567-S571 VanDerWaalsContact O-CB 3.31Å; D567-S571 WeakPolarHBondContact O-CB 3.33Å; D567-S571 PolarHBondContact O-N 3.36Å; D567-S571 PolarHBondContact O-OG 3.03Å
568	E	82.7	Confident	72.4	Confident	129 Å²	129	102.1 Å²	102.1	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-65.9	-51.1	172.7	-173	168.9	-143.6	0	0	110.9	K564 I566 V570 S571 D572	K564-E568 VanDerWaalsContact O-CB 3.27Å; K564-E568 WeakPolarHBondContact O-CB 3.49Å; K564-E568 PolarHBondContact O-N 2.88Å; I566-E568 VanDerWaalsContact C-N 3.29Å; I566-E568 PolarHBondContact O-N 3.4Å; E568-V570 VanDerWaalsContact C-N 3.32Å; E568-V570 PolarHBondContact O-N 2.89Å; E568-S571 WeakPolarHBondContact O-CB 3.42Å; E568-S571 PolarHBondContact O-N 3.42Å; E568-S571 VanDerWaalsContact O-N 3.11Å; E568-D572 WeakPolarHBondContact O-CB 3.43Å; E568-D572 PolarHBondContact O-N 3.08Å
569	Q	73.1	Confident	73.3	Confident	80 Å²	80	103.7 Å²	103.7	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-58.9	-39.8	175.3	-71.1	-67.2	-36.3	0	0	112.7	F565 I566 D572 L573	F565-Q569 HydrophobicContact CD1-CG 4.3Å; F565-Q569 HydrophobicContact CD2-CG 4.47Å; F565-Q569 HydrophobicContact CE1-CG 3.95Å; F565-Q569 HydrophobicContact CE2-CG 4.14Å; F565-Q569 HydrophobicContact CZ-CG 3.86Å; F565-Q569 WeakPolarHBondContact O-CB 3.4Å; F565-Q569 WeakPolarHBondContact O-CG 3.43Å; F565-Q569 PolarHBondContact O-N 3.1Å; I566-Q569 PolarHBondContact O-N 2.91Å; Q569-D572 PolarHBondContact O-N 2.72Å; Q569-L573 WeakPolarHBondContact O-CB 3.42Å; Q569-L573 VanDerWaalsContact O-CD1 3.25Å; Q569-L573 WeakPolarHBondContact O-CD1 3.39Å; Q569-L573 PolarHBondContact O-N 3.39Å
570	V	75.4	Confident	73.8	Confident	91 Å²	91	107 Å²	107	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-66.8	-39	175.8	167.9	0	0	0	0	111.2	I566 E568 K574	I566-V570 HydrophobicContact CG2-CG2 4.31Å; I566-V570 WeakPolarHBondContact O-CB 3.5Å; I566-V570 VanDerWaalsContact O-CG2 3.27Å; I566-V570 WeakPolarHBondContact O-CG2 3.1Å; I566-V570 PolarHBondContact O-N 2.83Å; E568-V570 VanDerWaalsContact C-N 3.32Å; E568-V570 PolarHBondContact O-N 2.89Å; V570-K574 WeakPolarHBondContact O-CB 3.41Å; V570-K574 PolarHBondContact O-N 2.88Å
571	S	83.4	Confident	73.6	Confident	76 Å²	76	102.3 Å²	102.3	53%	0.531	49%	0.493	S	S	.	.	H	α-helix	trans	-65.9	-41.4	174.8	-60.9	0	0	0	0	111.5	D567 E568 K574 Q575	D567-S571 VanDerWaalsContact O-CB 3.31Å; D567-S571 WeakPolarHBondContact O-CB 3.33Å; D567-S571 PolarHBondContact O-N 3.36Å; D567-S571 PolarHBondContact O-OG 3.03Å; E568-S571 WeakPolarHBondContact O-CB 3.42Å; E568-S571 PolarHBondContact O-N 3.42Å; E568-S571 VanDerWaalsContact O-N 3.11Å; S571-K574 PolarHBondContact O-N 3.05Å; S571-Q575 WeakPolarHBondContact O-CB 3.43Å; S571-Q575 PolarHBondContact O-N 2.97Å
572	D	79.2	Confident	73.8	Confident	61 Å²	61	102.3 Å²	102.3	33%	0.326	49%	0.493	S	S	.	.	H	α-helix	trans	-68	-42.9	179.7	-144.6	51.9	0	0	0	111.7	E568 Q569 Q575 K576	E568-D572 WeakPolarHBondContact O-CB 3.43Å; E568-D572 PolarHBondContact O-N 3.08Å; Q569-D572 PolarHBondContact O-N 2.72Å; D572-Q575 PolarHBondContact O-N 3.46Å; D572-K576 WeakPolarHBondContact O-CB 3.35Å; D572-K576 WeakPolarHBondContact O-CG 3.44Å; D572-K576 PolarHBondContact O-N 3.05Å; D572-K576 IonicContact OD2-NZ 2.74Å; D572-K576 PolarHBondContact OD2-NZ 3.35Å
573	L	71.2	Confident	74	Confident	111 Å²	111	99.6 Å²	99.6	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-60.9	-44.3	170.3	-99.8	101.5	0	0	0	111.9	Q569 Q575 K576 F577	Q569-L573 WeakPolarHBondContact O-CB 3.42Å; Q569-L573 VanDerWaalsContact O-CD1 3.25Å; Q569-L573 WeakPolarHBondContact O-CD1 3.39Å; Q569-L573 PolarHBondContact O-N 3.39Å; L573-Q575 VanDerWaalsContact C-N 3.31Å; L573-Q575 PolarHBondContact O-N 3.13Å; L573-K576 PolarHBondContact O-N 3.48Å; L573-F577 WeakPolarHBondContact O-CB 3.4Å; L573-F577 PolarHBondContact O-N 3.41Å
574	K	77	Confident	73.4	Confident	149 Å²	149	103.2 Å²	103.2	65%	0.648	51%	0.509	S	S	*	.	H	α-helix	trans	-61.5	-41.4	177.6	-173.5	-177.1	178.7	-171.9	0	111.2	V570 S571 F577 E578	V570-K574 WeakPolarHBondContact O-CB 3.41Å; V570-K574 PolarHBondContact O-N 2.88Å; S571-K574 PolarHBondContact O-N 3.05Å; K574-F577 PolarHBondContact O-N 2.89Å; K574-E578 PolarHBondContact O-N 3.47Å
575	Q	81.4	Confident	72.4	Confident	102 Å²	102	104.1 Å²	104.1	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-71.5	-31.5	177.1	-156.1	-165.5	37.3	0	0	112.4	S571 D572 L573 R579	S571-Q575 WeakPolarHBondContact O-CB 3.43Å; S571-Q575 PolarHBondContact O-N 2.97Å; D572-Q575 PolarHBondContact O-N 3.46Å; L573-Q575 VanDerWaalsContact C-N 3.31Å; L573-Q575 PolarHBondContact O-N 3.13Å; Q575-R579 VanDerWaalsContact CD-NH2 3.27Å; Q575-R579 WeakPolarHBondContact O-CG 3.31Å; Q575-R579 PolarHBondContact O-N 2.73Å; Q575-R579 PolarHBondContact O-NH1 3.21Å
576	K	74.3	Confident	71.6	Confident	100 Å²	100	102.6 Å²	102.6	44%	0.435	53%	0.528	S	S	.	.	H	α-helix	trans	-65.7	-48.6	171.5	-77.3	161.5	176.1	150.7	0	110.7	D572 L573 E578 R579 E580	D572-K576 WeakPolarHBondContact O-CB 3.35Å; D572-K576 WeakPolarHBondContact O-CG 3.44Å; D572-K576 PolarHBondContact O-N 3.05Å; D572-K576 IonicContact OD2-NZ 2.74Å; D572-K576 PolarHBondContact OD2-NZ 3.35Å; L573-K576 PolarHBondContact O-N 3.48Å; K576-E578 VanDerWaalsContact C-N 3.29Å; K576-E578 PolarHBondContact O-N 3.22Å; K576-R579 PolarHBondContact O-N 3.24Å; K576-R579 VanDerWaalsContact O-N 3.08Å; K576-E580 PolarHBondContact O-N 2.79Å
577	F	67	Low	70.9	Confident	138 Å²	138	102.9 Å²	102.9	61%	0.605	54%	0.537	S	S	*	.	H	α-helix	trans	-57.2	-39	175.3	-177.1	-96.9	0	0	0	112.8	L573 K574 E580 S581	L573-F577 WeakPolarHBondContact O-CB 3.4Å; L573-F577 PolarHBondContact O-N 3.41Å; K574-F577 PolarHBondContact O-N 2.89Å; F577-E580 PolarHBondContact O-N 3.18Å; F577-S581 WeakPolarHBondContact O-CB 3.47Å; F577-S581 PolarHBondContact O-N 2.72Å
578	E	75	Confident	69.6	Low	93 Å²	93	104.9 Å²	104.9	44%	0.435	55%	0.553	S	S	.	*	H	α-helix	trans	-73.1	-26.8	177.6	-153.4	66.3	-111.5	0	0	113.5	K574 K576 S581 Q582	K574-E578 PolarHBondContact O-N 3.47Å; K576-E578 VanDerWaalsContact C-N 3.29Å; K576-E578 PolarHBondContact O-N 3.22Å; E578-S581 WeakPolarHBondContact CA-OG 3.41Å; E578-S581 PolarHBondContact O-OG 3.01Å; E578-S581 PolarHBondContact OE1-OG 3.4Å; E578-Q582 VanDerWaalsContact O-CD 3.28Å; E578-Q582 WeakPolarHBondContact O-CG 3.42Å; E578-Q582 PolarHBondContact O-N 3.29Å; E578-Q582 PolarHBondContact O-NE2 2.96Å
579	R	76.1	Confident	68	Low	124 Å²	124	103.7 Å²	103.7	47%	0.468	55%	0.554	S	S	.	*	H	α-helix	trans	-73.1	-40.1	169.1	-68.5	176.7	-166.5	97.1	-15.7	111.2	Q575 K576 Q582 S583	Q575-R579 VanDerWaalsContact CD-NH2 3.27Å; Q575-R579 WeakPolarHBondContact O-CG 3.31Å; Q575-R579 PolarHBondContact O-N 2.73Å; Q575-R579 PolarHBondContact O-NH1 3.21Å; K576-R579 PolarHBondContact O-N 3.24Å; K576-R579 VanDerWaalsContact O-N 3.08Å; R579-Q582 PolarHBondContact O-N 2.86Å; R579-S583 WeakPolarHBondContact O-CB 3.27Å; R579-S583 PolarHBondContact O-N 3.39Å
580	E	68.9	Low	67.2	Low	121 Å²	121	102.6 Å²	102.6	57%	0.565	56%	0.555	S	S	*	*	H	α-helix	trans	-67.6	-39.5	177.3	-72.7	177.8	171.1	0	0	111.7	K576 F577 Q582 S583 L584	K576-E580 PolarHBondContact O-N 2.79Å; F577-E580 PolarHBondContact O-N 3.18Å; E580-Q582 PolarHBondContact O-N 2.94Å; E580-S583 PolarHBondContact O-N 3.09Å; E580-L584 WeakPolarHBondContact O-CB 3.43Å; E580-L584 VanDerWaalsContact O-CG 3.25Å; E580-L584 WeakPolarHBondContact O-CG 3.27Å; E580-L584 PolarHBondContact O-N 3.32Å
581	S	63.6	Low	66.1	Low	26 Å²	26	104 Å²	104	18%	0.182	56%	0.563	C	S	.	*	H	α-helix	trans	-60.6	-44.5	174.9	72.1	0	0	0	0	111.5	F577 E578 L584 Q585	F577-S581 WeakPolarHBondContact O-CB 3.47Å; F577-S581 PolarHBondContact O-N 2.72Å; E578-S581 WeakPolarHBondContact CA-OG 3.41Å; E578-S581 PolarHBondContact O-OG 3.01Å; E578-S581 PolarHBondContact OE1-OG 3.4Å; S581-L584 PolarHBondContact O-N 3.31Å; S581-Q585 WeakPolarHBondContact O-CG 3.4Å; S581-Q585 PolarHBondContact O-N 3.18Å; S581-Q585 VanDerWaalsContact O-N 3.08Å
582	Q	73	Confident	64.6	Low	124 Å²	124	104.8 Å²	104.8	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-65.9	-40.4	175.7	-70.3	169.1	21.1	0	0	112.2	E578 R579 E580 Q585	E578-Q582 VanDerWaalsContact O-CD 3.28Å; E578-Q582 WeakPolarHBondContact O-CG 3.42Å; E578-Q582 PolarHBondContact O-N 3.29Å; E578-Q582 PolarHBondContact O-NE2 2.96Å; R579-Q582 PolarHBondContact O-N 2.86Å; E580-Q582 PolarHBondContact O-N 2.94Å; Q582-Q585 PolarHBondContact O-N 3.23Å
583	S	66.2	Low	63.7	Low	95 Å²	95	105 Å²	105	66%	0.664	57%	0.566	S	S	*	*	H	α-helix	trans	-64.1	-40.3	175.2	-169.5	0	0	0	0	112.2	R579 E580 G586	R579-S583 WeakPolarHBondContact O-CB 3.27Å; R579-S583 PolarHBondContact O-N 3.39Å; E580-S583 PolarHBondContact O-N 3.09Å; S583-G586 PolarHBondContact O-N 3.07Å
584	L	58	Low	63.3	Low	122 Å²	122	105.6 Å²	105.6	64%	0.639	57%	0.566	S	S	*	*	H	α-helix	trans	-71.2	-28.8	178.8	-73.2	167	0	0	0	113.2	E580 S581 G586 S587	E580-L584 WeakPolarHBondContact O-CB 3.43Å; E580-L584 VanDerWaalsContact O-CG 3.25Å; E580-L584 WeakPolarHBondContact O-CG 3.27Å; E580-L584 PolarHBondContact O-N 3.32Å; S581-L584 PolarHBondContact O-N 3.31Å; L584-G586 PolarHBondContact O-N 3.35Å; L584-G586 VanDerWaalsContact O-N 3.17Å; L584-S587 PolarHBondContact O-N 3.45Å
585	Q	56.8	Low	62.9	Low	164 Å²	164	106 Å²	106	77%	0.766	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-16.3	173.7	-77.9	175.9	8.1	0	0	113.7	S581 Q582	S581-Q585 WeakPolarHBondContact O-CG 3.4Å; S581-Q585 PolarHBondContact O-N 3.18Å; S581-Q585 VanDerWaalsContact O-N 3.08Å; Q582-Q585 PolarHBondContact O-N 3.23Å
586	G	55.4	Low	62.2	Low	70 Å²	70	108.9 Å²	108.9	72%	0.722	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-7.9	172.3	0	0	0	0	0	115.2	S583 L584	S583-G586 PolarHBondContact O-N 3.07Å; L584-G586 PolarHBondContact O-N 3.35Å; L584-G586 VanDerWaalsContact O-N 3.17Å
587	S	52.4	Low	62	Low	81 Å²	81	109 Å²	109	57%	0.566	58%	0.578	S	S	*	*	S	Bend	trans	-95.3	124.8	-175.4	-167.2	0	0	0	0	112	L584 V589	L584-S587 PolarHBondContact O-N 3.45Å; S587-V589 PolarHBondContact O-N 2.98Å
588	V	50.9	Low	62.4	Low	146 Å²	146	104.4 Å²	104.4	89%	0.885	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-70.5	116.4	179	-178.5	0	0	0	0	110.1
589	V	49.8	Very low	62.3	Low	104 Å²	104	105.9 Å²	105.9	63%	0.63	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-76.4	141.4	-176	-179.7	0	0	0	0	111.1	S587 D593	S587-V589 PolarHBondContact O-N 2.98Å; V589-D593 HydrophobicContact CG1-CB 3.58Å
590	S	55.4	Low	61.9	Low	57 Å²	57	102 Å²	102	40%	0.399	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-93.6	159.3	179.2	84.6	0	0	0	0	112.7	V592 D593 E594	S590-V592 PolarHBondContact O-N 3Å; S590-V592 VanDerWaalsContact O-N 3.13Å; S590-D593 VanDerWaalsContact CB-OD2 3.3Å; S590-D593 WeakPolarHBondContact CB-OD2 3.2Å; S590-D593 PolarHBondContact N-OD2 3.17Å; S590-D593 WeakPolarHBondContact O-CB 3.4Å; S590-D593 PolarHBondContact O-N 2.99Å; S590-D593 PolarHBondContact OG-OD2 3.45Å; S590-E594 PolarHBondContact O-N 3.43Å
591	V	54.1	Low	62.5	Low	120 Å²	120	102 Å²	102	73%	0.727	57%	0.566	S	S	*	*	H	α-helix	trans	-61.1	-24.9	179.5	-175.6	0	0	0	0	112.6	D593	V591-D593 VanDerWaalsContact C-N 3.27Å; V591-D593 PolarHBondContact O-N 3.46Å
592	V	51.5	Low	63.3	Low	92 Å²	92	109.7 Å²	109.7	56%	0.558	59%	0.591	S	S	*	*	H	α-helix	trans	-69.4	-28.8	174.5	176.1	0	0	0	0	111.5	S590	S590-V592 PolarHBondContact O-N 3Å; S590-V592 VanDerWaalsContact O-N 3.13Å
593	D	60.6	Low	63.4	Low	65 Å²	65	108.6 Å²	108.6	35%	0.348	59%	0.588	S	S	.	*	H	α-helix	trans	-78.4	-33.4	-179.3	-55.7	-55.9	0	0	0	111.5	V589 S590 V591 Q595 R596 E597	V589-D593 HydrophobicContact CG1-CB 3.58Å; S590-D593 VanDerWaalsContact CB-OD2 3.3Å; S590-D593 WeakPolarHBondContact CB-OD2 3.2Å; S590-D593 PolarHBondContact N-OD2 3.17Å; S590-D593 WeakPolarHBondContact O-CB 3.4Å; S590-D593 PolarHBondContact O-N 2.99Å; S590-D593 PolarHBondContact OG-OD2 3.45Å; V591-D593 VanDerWaalsContact C-N 3.27Å; V591-D593 PolarHBondContact O-N 3.46Å; D593-Q595 VanDerWaalsContact C-N 3.27Å; D593-Q595 PolarHBondContact O-N 2.72Å; D593-R596 CarbonylContact O-C 3.53Å; D593-R596 PolarHBondContact O-N 3.31Å; D593-R596 VanDerWaalsContact O-N 3.08Å; D593-E597 WeakPolarHBondContact O-CB 3.31Å; D593-E597 PolarHBondContact O-N 2.99Å
594	E	61.5	Low	63.9	Low	124 Å²	124	108.4 Å²	108.4	58%	0.579	58%	0.579	S	S	*	*	H	α-helix	trans	-54.8	-41.8	175.5	-66.6	-166.6	147.3	0	0	112.3	S590 E597 A598	S590-E594 PolarHBondContact O-N 3.43Å; E594-E597 PolarHBondContact O-N 3.2Å; E594-A598 VanDerWaalsContact O-CB 3.27Å; E594-A598 WeakPolarHBondContact O-CB 3.49Å; E594-A598 PolarHBondContact O-N 3.11Å
595	Q	69.9	Low	65.1	Low	157 Å²	157	110.4 Å²	110.4	73%	0.734	58%	0.583	S	S	*	*	H	α-helix	trans	-69.1	-37.1	178.7	-173	172.8	-12.2	0	0	112	D593 Q599	D593-Q595 VanDerWaalsContact C-N 3.27Å; D593-Q595 PolarHBondContact O-N 2.72Å; Q595-Q599 PolarHBondContact O-N 3.37Å; Q595-Q599 VanDerWaalsContact O-N 3.11Å
596	R	66.7	Low	66.2	Low	164 Å²	164	108.2 Å²	108.2	62%	0.619	57%	0.572	S	S	*	*	H	α-helix	trans	-68.7	-41.6	174.1	-62.6	-177.9	-170.5	-157.8	5.8	111.3	D593 Q599 A600	D593-R596 CarbonylContact O-C 3.53Å; D593-R596 PolarHBondContact O-N 3.31Å; D593-R596 VanDerWaalsContact O-N 3.08Å; R596-Q599 WeakPolarHBondContact O-CB 3.32Å; R596-Q599 PolarHBondContact O-N 2.98Å; R596-A600 WeakPolarHBondContact O-CB 3.3Å; R596-A600 PolarHBondContact O-N 2.89Å
597	E	69.4	Low	67.2	Low	101 Å²	101	113.3 Å²	113.3	47%	0.472	57%	0.57	S	S	.	*	H	α-helix	trans	-67.2	-38.5	179	-157.1	-144.9	179	0	0	110.9	D593 E594 Q599 A600 K601	D593-E597 WeakPolarHBondContact O-CB 3.31Å; D593-E597 PolarHBondContact O-N 2.99Å; E594-E597 PolarHBondContact O-N 3.2Å; E597-Q599 VanDerWaalsContact C-N 3.35Å; E597-Q599 PolarHBondContact O-N 2.77Å; E597-A600 PolarHBondContact O-N 3.41Å; E597-K601 VanDerWaalsContact CD-CE 3.4Å; E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 VanDerWaalsContact O-CB 3.26Å; E597-K601 WeakPolarHBondContact O-CB 3.2Å; E597-K601 VanDerWaalsContact O-CG 3.24Å; E597-K601 WeakPolarHBondContact O-CG 3.22Å; E597-K601 PolarHBondContact O-N 3.4Å; E597-K601 WeakPolarHBondContact OE1-CE 3.3Å; E597-K601 IonicContact OE1-NZ 2.73Å; E597-K601 PolarHBondContact OE1-NZ 2.94Å; E597-K601 IonicContact OE2-NZ 3.13Å; E597-K601 PolarHBondContact OE2-NZ 2.69Å
598	A	74.7	Confident	68.6	Low	43 Å²	43	115.5 Å²	115.5	36%	0.355	57%	0.569	S	S	.	*	H	α-helix	trans	-62.2	-39.3	170.8	0	0	0	0	0	112.3	E594 R602	E594-A598 VanDerWaalsContact O-CB 3.27Å; E594-A598 WeakPolarHBondContact O-CB 3.49Å; E594-A598 PolarHBondContact O-N 3.11Å; A598-R602 WeakPolarHBondContact O-CG 3.36Å; A598-R602 PolarHBondContact O-N 2.65Å
599	Q	73.1	Confident	70	Confident	124 Å²	124	110.6 Å²	110.6	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-66.6	-44.2	173.3	-173.6	176.8	0.8	0	0	111.7	Q595 R596 E597 R602 L603	Q595-Q599 PolarHBondContact O-N 3.37Å; Q595-Q599 VanDerWaalsContact O-N 3.11Å; R596-Q599 WeakPolarHBondContact O-CB 3.32Å; R596-Q599 PolarHBondContact O-N 2.98Å; E597-Q599 VanDerWaalsContact C-N 3.35Å; E597-Q599 PolarHBondContact O-N 2.77Å; Q599-R602 WeakPolarHBondContact O-CB 3.38Å; Q599-R602 PolarHBondContact O-N 2.84Å; Q599-L603 HydrophobicContact CG-CD1 4.36Å; Q599-L603 WeakPolarHBondContact O-CG 3.01Å; Q599-L603 PolarHBondContact O-N 3.4Å
600	A	68.7	Low	71.3	Confident	43 Å²	43	110.9 Å²	110.9	36%	0.355	54%	0.541	S	S	.	.	H	α-helix	trans	-61.8	-45.1	175.5	0	0	0	0	0	111.8	R596 E597 R602 L603 I604	R596-A600 WeakPolarHBondContact O-CB 3.3Å; R596-A600 PolarHBondContact O-N 2.89Å; E597-A600 PolarHBondContact O-N 3.41Å; A600-R602 VanDerWaalsContact C-N 3.29Å; A600-R602 PolarHBondContact O-N 2.96Å; A600-L603 PolarHBondContact O-N 3.44Å; A600-I604 WeakPolarHBondContact O-CB 3.48Å; A600-I604 VanDerWaalsContact O-CG1 3.25Å; A600-I604 WeakPolarHBondContact O-CG1 3.23Å; A600-I604 PolarHBondContact O-N 2.92Å
601	K	80.4	Confident	72.2	Confident	119 Å²	119	112.2 Å²	112.2	52%	0.517	54%	0.541	S	S	.	.	H	α-helix	trans	-58.7	-37.2	174.3	-77.5	164.9	166.8	167.8	0	112	E597 K605	E597-K601 VanDerWaalsContact CD-CE 3.4Å; E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 VanDerWaalsContact O-CB 3.26Å; E597-K601 WeakPolarHBondContact O-CB 3.2Å; E597-K601 VanDerWaalsContact O-CG 3.24Å; E597-K601 WeakPolarHBondContact O-CG 3.22Å; E597-K601 PolarHBondContact O-N 3.4Å; E597-K601 WeakPolarHBondContact OE1-CE 3.3Å; E597-K601 IonicContact OE1-NZ 2.73Å; E597-K601 PolarHBondContact OE1-NZ 2.94Å; E597-K601 IonicContact OE2-NZ 3.13Å; E597-K601 PolarHBondContact OE2-NZ 2.69Å; K601-K605 WeakPolarHBondContact O-CB 3.04Å; K601-K605 PolarHBondContact O-N 3.49Å; K601-K605 VanDerWaalsContact O-N 3.1Å
602	R	80.3	Confident	73.6	Confident	189 Å²	189	113.3 Å²	113.3	71%	0.713	54%	0.536	S	S	*	.	H	α-helix	trans	-65	-52.2	171.8	-73.2	173.2	-173.3	-172.6	3.8	111.8	A598 Q599 A600 I604 K605 E606	A598-R602 WeakPolarHBondContact O-CG 3.36Å; A598-R602 PolarHBondContact O-N 2.65Å; Q599-R602 WeakPolarHBondContact O-CB 3.38Å; Q599-R602 PolarHBondContact O-N 2.84Å; A600-R602 VanDerWaalsContact C-N 3.29Å; A600-R602 PolarHBondContact O-N 2.96Å; R602-I604 VanDerWaalsContact C-N 3.33Å; R602-I604 PolarHBondContact O-N 2.83Å; R602-K605 WeakPolarHBondContact O-CB 3.42Å; R602-K605 PolarHBondContact O-N 2.72Å; R602-K605 VanDerWaalsContact O-N 3.08Å; R602-E606 PolarHBondContact O-N 3.29Å
603	L	76.1	Confident	75	Confident	100 Å²	100	113.1 Å²	113.1	52%	0.524	53%	0.532	S	S	.	.	H	α-helix	trans	-61.7	-37.9	-179.9	-68.8	170.3	0	0	0	112.6	Q599 A600 E606 R607	Q599-L603 HydrophobicContact CG-CD1 4.36Å; Q599-L603 WeakPolarHBondContact O-CG 3.01Å; Q599-L603 PolarHBondContact O-N 3.4Å; A600-L603 PolarHBondContact O-N 3.44Å; L603-E606 PolarHBondContact O-N 2.88Å; L603-R607 WeakPolarHBondContact O-CB 3.35Å; L603-R607 PolarHBondContact O-N 3.4Å
604	I	77.1	Confident	75.7	Confident	91 Å²	91	112.8 Å²	112.8	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-65.5	-39.7	174.1	-69.1	164.5	0	0	0	110.9	A600 R602 K608	A600-I604 WeakPolarHBondContact O-CB 3.48Å; A600-I604 VanDerWaalsContact O-CG1 3.25Å; A600-I604 WeakPolarHBondContact O-CG1 3.23Å; A600-I604 PolarHBondContact O-N 2.92Å; R602-I604 VanDerWaalsContact C-N 3.33Å; R602-I604 PolarHBondContact O-N 2.83Å; I604-K608 HydrophobicContact CG2-CD 4.22Å; I604-K608 WeakPolarHBondContact O-CB 3.3Å; I604-K608 VanDerWaalsContact O-CG 3.32Å; I604-K608 WeakPolarHBondContact O-CG 3.4Å; I604-K608 PolarHBondContact O-N 3.29Å
605	K	83	Confident	76.6	Confident	165 Å²	165	112.6 Å²	112.6	72%	0.717	54%	0.536	S	S	*	.	H	α-helix	trans	-66.6	-39.8	176.2	-172.3	177.4	-179.3	-180	0	111.7	K601 R602 K608 A609	K601-K605 WeakPolarHBondContact O-CB 3.04Å; K601-K605 PolarHBondContact O-N 3.49Å; K601-K605 VanDerWaalsContact O-N 3.1Å; R602-K605 WeakPolarHBondContact O-CB 3.42Å; R602-K605 PolarHBondContact O-N 2.72Å; R602-K605 VanDerWaalsContact O-N 3.08Å; K605-K608 PolarHBondContact O-N 2.88Å; K605-A609 PolarHBondContact O-N 2.94Å
606	E	80.1	Confident	77.1	Confident	118 Å²	118	109.1 Å²	109.1	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-66.8	-47.1	175.9	-173.6	168.8	-162.6	0	0	111.8	R602 L603 K608 A609 L610	R602-E606 PolarHBondContact O-N 3.29Å; L603-E606 PolarHBondContact O-N 2.88Å; E606-K608 VanDerWaalsContact C-N 3.29Å; E606-K608 PolarHBondContact O-N 2.82Å; E606-A609 WeakPolarHBondContact O-CA 3.31Å; E606-A609 WeakPolarHBondContact O-CB 3.19Å; E606-A609 PolarHBondContact O-N 2.9Å; E606-L610 PolarHBondContact O-N 3.4Å
607	R	75.6	Confident	77.5	Confident	176 Å²	176	104.8 Å²	104.8	66%	0.664	51%	0.513	S	S	*	.	H	α-helix	trans	-56.5	-42.4	172.3	-172.4	-178.7	-175.3	-86.2	7.3	112	L603 A609 L610 E611	L603-R607 WeakPolarHBondContact O-CB 3.35Å; L603-R607 PolarHBondContact O-N 3.4Å; R607-A609 VanDerWaalsContact C-N 3.3Å; R607-A609 PolarHBondContact O-N 3.32Å; R607-L610 PolarHBondContact O-N 2.96Å; R607-E611 WeakPolarHBondContact O-CB 3.24Å; R607-E611 PolarHBondContact O-N 3.33Å
608	K	80.8	Confident	77.6	Confident	128 Å²	128	102.5 Å²	102.5	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-71.3	-18.6	175.8	-75.2	-179.9	178.4	-177.2	0	113.9	I604 K605 E606 K612	I604-K608 HydrophobicContact CG2-CD 4.22Å; I604-K608 WeakPolarHBondContact O-CB 3.3Å; I604-K608 VanDerWaalsContact O-CG 3.32Å; I604-K608 WeakPolarHBondContact O-CG 3.4Å; I604-K608 PolarHBondContact O-N 3.29Å; K605-K608 PolarHBondContact O-N 2.88Å; E606-K608 VanDerWaalsContact C-N 3.29Å; E606-K608 PolarHBondContact O-N 2.82Å; K608-K612 WeakPolarHBondContact O-CG 3.01Å
609	A	80.9	Confident	77.7	Confident	43 Å²	43	105.4 Å²	105.4	36%	0.355	52%	0.519	S	S	.	.	H	α-helix	trans	-77.9	-51.8	169.4	0	0	0	0	0	110.1	K605 E606 R607 E611 K612 D613	K605-A609 PolarHBondContact O-N 2.94Å; E606-A609 WeakPolarHBondContact O-CA 3.31Å; E606-A609 WeakPolarHBondContact O-CB 3.19Å; E606-A609 PolarHBondContact O-N 2.9Å; R607-A609 VanDerWaalsContact C-N 3.3Å; R607-A609 PolarHBondContact O-N 3.32Å; A609-E611 PolarHBondContact O-N 3.43Å; A609-K612 WeakPolarHBondContact O-CA 3.33Å; A609-K612 WeakPolarHBondContact O-CB 3.5Å; A609-K612 PolarHBondContact O-N 2.99Å; A609-D613 PolarHBondContact O-N 3.24Å
610	L	76.7	Confident	77.8	Confident	110 Å²	110	104 Å²	104	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-57.3	-35.7	176.9	-66.8	172	0	0	0	112.8	E606 R607 D613 A614	E606-L610 PolarHBondContact O-N 3.4Å; R607-L610 PolarHBondContact O-N 2.96Å; L610-D613 PolarHBondContact O-N 3.38Å; L610-A614 WeakPolarHBondContact O-CB 3.46Å; L610-A614 PolarHBondContact O-N 2.99Å
611	E	75	Confident	77.7	Confident	84 Å²	84	108 Å²	108	39%	0.393	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-34.4	174.4	-163.1	-162	124.8	0	0	112.8	R607 A609 K615	R607-E611 WeakPolarHBondContact O-CB 3.24Å; R607-E611 PolarHBondContact O-N 3.33Å; A609-E611 PolarHBondContact O-N 3.43Å; E611-K615 WeakPolarHBondContact O-CD 2.85Å; E611-K615 VanDerWaalsContact O-CG 3.31Å; E611-K615 WeakPolarHBondContact O-CG 3.25Å; E611-K615 PolarHBondContact O-N 3.43Å; E611-K615 IonicContact OE1-NZ 3.7Å; E611-K615 PolarHBondContact OE1-NZ 2.96Å
612	K	83.7	Confident	77.2	Confident	143 Å²	143	104.9 Å²	104.9	62%	0.622	52%	0.519	S	S	*	.	H	α-helix	trans	-71.8	-43	173.3	-72.3	175	178.3	-171.5	0	111	K608 A609 A614 K615 I616	K608-K612 WeakPolarHBondContact O-CG 3.01Å; A609-K612 WeakPolarHBondContact O-CA 3.33Å; A609-K612 WeakPolarHBondContact O-CB 3.5Å; A609-K612 PolarHBondContact O-N 2.99Å; K612-A614 VanDerWaalsContact C-N 3.34Å; K612-A614 PolarHBondContact O-N 3Å; K612-K615 CarbonylContact O-C 3.58Å; K612-K615 WeakPolarHBondContact O-CB 3.36Å; K612-K615 PolarHBondContact O-N 2.66Å; K612-K615 VanDerWaalsContact O-N 3.15Å; K612-I616 WeakPolarHBondContact O-CG1 3.41Å; K612-I616 PolarHBondContact O-N 3.16Å
613	D	80.4	Confident	76.9	Confident	88 Å²	88	102.7 Å²	102.7	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-42	178.2	-64.2	-20.6	0	0	0	110.9	A609 L610 K615 I616 V617	A609-D613 PolarHBondContact O-N 3.24Å; L610-D613 PolarHBondContact O-N 3.38Å; D613-K615 VanDerWaalsContact C-N 3.34Å; D613-K615 PolarHBondContact O-N 3.43Å; D613-I616 WeakPolarHBondContact O-CB 3.07Å; D613-I616 PolarHBondContact O-N 3.15Å; D613-I616 VanDerWaalsContact O-N 3.15Å; D613-V617 WeakPolarHBondContact O-CG2 3Å; D613-V617 PolarHBondContact O-N 2.98Å
614	A	75.2	Confident	76.5	Confident	59 Å²	59	100.2 Å²	100.2	49%	0.488	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-39.5	172.7	0	0	0	0	0	112.6	L610 K612 V617 A618	L610-A614 WeakPolarHBondContact O-CB 3.46Å; L610-A614 PolarHBondContact O-N 2.99Å; K612-A614 VanDerWaalsContact C-N 3.34Å; K612-A614 PolarHBondContact O-N 3Å; A614-V617 PolarHBondContact O-N 3Å; A614-A618 WeakPolarHBondContact O-CB 3.33Å; A614-A618 PolarHBondContact O-N 2.87Å
615	K	80.5	Confident	75.6	Confident	120 Å²	120	100.3 Å²	100.3	52%	0.522	51%	0.506	S	S	.	.	H	α-helix	trans	-67.7	-34.4	173.8	-74.8	166.8	177	172.5	0	112.4	E611 K612 D613 M619	E611-K615 WeakPolarHBondContact O-CD 2.85Å; E611-K615 VanDerWaalsContact O-CG 3.31Å; E611-K615 WeakPolarHBondContact O-CG 3.25Å; E611-K615 PolarHBondContact O-N 3.43Å; E611-K615 IonicContact OE1-NZ 3.7Å; E611-K615 PolarHBondContact OE1-NZ 2.96Å; K612-K615 CarbonylContact O-C 3.58Å; K612-K615 WeakPolarHBondContact O-CB 3.36Å; K612-K615 PolarHBondContact O-N 2.66Å; K612-K615 VanDerWaalsContact O-N 3.15Å; D613-K615 VanDerWaalsContact C-N 3.34Å; D613-K615 PolarHBondContact O-N 3.43Å; K615-M619 WeakPolarHBondContact O-CB 3.45Å; K615-M619 WeakPolarHBondContact O-CG 3.35Å; K615-M619 PolarHBondContact O-N 3.3Å
616	I	79.9	Confident	74.7	Confident	83 Å²	83	99.2 Å²	99.2	43%	0.426	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-43.8	172.8	-68.9	162.3	0	0	0	110.5	K612 D613 M619 L620	K612-I616 WeakPolarHBondContact O-CG1 3.41Å; K612-I616 PolarHBondContact O-N 3.16Å; D613-I616 WeakPolarHBondContact O-CB 3.07Å; D613-I616 PolarHBondContact O-N 3.15Å; D613-I616 VanDerWaalsContact O-N 3.15Å; I616-M619 HydrophobicContact CG1-CE 4.21Å; I616-M619 PolarHBondContact O-N 2.67Å; I616-L620 HydrophobicContact CG2-CD1 3.9Å; I616-L620 HydrophobicContact CG2-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CB 3.5Å; I616-L620 VanDerWaalsContact O-CG 3.3Å; I616-L620 WeakPolarHBondContact O-CG 3.49Å; I616-L620 PolarHBondContact O-N 3.04Å
617	V	76	Confident	73.5	Confident	74 Å²	74	95.7 Å²	95.7	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-51.4	174.4	171.1	0	0	0	0	110.7	D613 A614 M619 L620 E621	D613-V617 WeakPolarHBondContact O-CG2 3Å; D613-V617 PolarHBondContact O-N 2.98Å; A614-V617 PolarHBondContact O-N 3Å; V617-M619 VanDerWaalsContact C-N 3.29Å; V617-M619 PolarHBondContact O-N 2.69Å; V617-L620 CarbonylContact O-C 3.46Å; V617-L620 WeakPolarHBondContact O-CA 3.32Å; V617-L620 WeakPolarHBondContact O-CB 3.4Å; V617-L620 PolarHBondContact O-N 3.44Å; V617-E621 HydrophobicContact CG1-CG 4.26Å; V617-E621 WeakPolarHBondContact O-CG 3.49Å; V617-E621 PolarHBondContact O-N 3.08Å
618	A	71.1	Confident	72.1	Confident	53 Å²	53	98 Å²	98	44%	0.438	50%	0.501	S	S	.	.	H	α-helix	trans	-60.2	-35.9	177.5	0	0	0	0	0	113	A614 S622	A614-A618 WeakPolarHBondContact O-CB 3.33Å; A614-A618 PolarHBondContact O-N 2.87Å; A618-S622 WeakPolarHBondContact O-CB 3.49Å; A618-S622 PolarHBondContact O-N 2.74Å
619	M	77.1	Confident	70.5	Confident	104 Å²	104	95.4 Å²	95.4	51%	0.512	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-44	171.4	-80	-166	-63.1	0	0	112.3	K615 I616 V617 S622 K623	K615-M619 WeakPolarHBondContact O-CB 3.45Å; K615-M619 WeakPolarHBondContact O-CG 3.35Å; K615-M619 PolarHBondContact O-N 3.3Å; I616-M619 HydrophobicContact CG1-CE 4.21Å; I616-M619 PolarHBondContact O-N 2.67Å; V617-M619 VanDerWaalsContact C-N 3.29Å; V617-M619 PolarHBondContact O-N 2.69Å; M619-S622 PolarHBondContact O-N 3.37Å; M619-S622 PolarHBondContact O-OG 2.74Å; M619-K623 WeakPolarHBondContact O-CG 3.48Å; M619-K623 PolarHBondContact O-N 3.09Å
620	L	74.9	Confident	68.8	Low	95 Å²	95	97.4 Å²	97.4	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-41.1	178.2	-73.6	170.4	0	0	0	111.6	I616 V617 K623 A624	I616-L620 HydrophobicContact CG2-CD1 3.9Å; I616-L620 HydrophobicContact CG2-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CB 3.5Å; I616-L620 VanDerWaalsContact O-CG 3.3Å; I616-L620 WeakPolarHBondContact O-CG 3.49Å; I616-L620 PolarHBondContact O-N 3.04Å; V617-L620 CarbonylContact O-C 3.46Å; V617-L620 WeakPolarHBondContact O-CA 3.32Å; V617-L620 WeakPolarHBondContact O-CB 3.4Å; V617-L620 PolarHBondContact O-N 3.44Å; L620-K623 PolarHBondContact O-N 3.46Å; L620-A624 WeakPolarHBondContact O-CB 3.35Å; L620-A624 PolarHBondContact O-N 3.34Å
621	E	67.9	Low	67.1	Low	126 Å²	126	96.2 Å²	96.2	59%	0.589	50%	0.502	S	S	*	.	H	α-helix	trans	-60.6	-45	171.5	-72	172.2	165.4	0	0	110.9	V617 K623 A624 F625	V617-E621 HydrophobicContact CG1-CG 4.26Å; V617-E621 WeakPolarHBondContact O-CG 3.49Å; V617-E621 PolarHBondContact O-N 3.08Å; E621-K623 VanDerWaalsContact C-N 3.29Å; E621-K623 PolarHBondContact O-N 3.44Å; E621-A624 PolarHBondContact O-N 2.99Å; E621-F625 VanDerWaalsContact O-CB 3.22Å; E621-F625 WeakPolarHBondContact O-CB 3.37Å; E621-F625 PolarHBondContact O-N 2.79Å
622	S	69.4	Low	65.5	Low	54 Å²	54	96.3 Å²	96.3	38%	0.378	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-32.9	175.7	84.8	0	0	0	0	113.1	A618 M619 K626	A618-S622 WeakPolarHBondContact O-CB 3.49Å; A618-S622 PolarHBondContact O-N 2.74Å; M619-S622 PolarHBondContact O-N 3.37Å; M619-S622 PolarHBondContact O-OG 2.74Å; S622-K626 WeakPolarHBondContact O-CB 3.42Å; S622-K626 WeakPolarHBondContact O-CG 3.37Å; S622-K626 PolarHBondContact O-N 3.44Å
623	K	74.2	Confident	63.3	Low	142 Å²	142	92.2 Å²	92.2	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-74.3	-44.1	175.8	-76.5	178	175.5	-175.7	0	111.6	M619 L620 E621 K626 A627	M619-K623 WeakPolarHBondContact O-CG 3.48Å; M619-K623 PolarHBondContact O-N 3.09Å; L620-K623 PolarHBondContact O-N 3.46Å; E621-K623 VanDerWaalsContact C-N 3.29Å; E621-K623 PolarHBondContact O-N 3.44Å; K623-K626 PolarHBondContact O-N 3.24Å; K623-A627 WeakPolarHBondContact O-CB 3.41Å; K623-A627 PolarHBondContact O-N 2.74Å
624	A	66.2	Low	61.4	Low	49 Å²	49	92.4 Å²	92.4	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-43.6	175.7	0	0	0	0	0	111.1	L620 E621 A627 W628	L620-A624 WeakPolarHBondContact O-CB 3.35Å; L620-A624 PolarHBondContact O-N 3.34Å; E621-A624 PolarHBondContact O-N 2.99Å; A624-A627 PolarHBondContact O-N 3.44Å; A624-W628 WeakPolarHBondContact O-CB 3.44Å; A624-W628 PolarHBondContact O-N 2.66Å
625	F	58.7	Low	59.5	Low	92 Å²	92	97.7 Å²	97.7	40%	0.404	52%	0.524	S	S	.	.	H	α-helix	trans	-62.2	-43.7	174.7	-168.8	-90.6	0	0	0	111.5	E621 A627 W628 S629 H659	E621-F625 VanDerWaalsContact O-CB 3.22Å; E621-F625 WeakPolarHBondContact O-CB 3.37Å; E621-F625 PolarHBondContact O-N 2.79Å; F625-A627 PolarHBondContact O-N 3.11Å; F625-W628 PolarHBondContact O-N 3.1Å; F625-S629 VanDerWaalsContact O-CB 3.24Å; F625-S629 WeakPolarHBondContact O-CB 3.44Å; F625-S629 PolarHBondContact O-N 2.92Å; F625-S629 PolarHBondContact O-OG 3.22Å; F625-H659 AromaticContact CE1-CE1 3.61Å; F625-H659 AromaticContact CE1-NE2 3.62Å; F625-H659 AromaticContact CZ-CE1 3.37Å; F625-H659 WeakPolarHBondContact CZ-CE1 3.48Å; F625-H659 AromaticContact CZ-NE2 3.63Å
626	K	64.3	Low	57.6	Low	143 Å²	143	100 Å²	100	62%	0.622	54%	0.539	S	S	*	.	H	α-helix	trans	-58.2	-46.5	171.9	-78.6	172.1	-179.2	-178.3	0	111.9	S622 K623 W628 S629	S622-K626 WeakPolarHBondContact O-CB 3.42Å; S622-K626 WeakPolarHBondContact O-CG 3.37Å; S622-K626 PolarHBondContact O-N 3.44Å; K623-K626 PolarHBondContact O-N 3.24Å; K626-W628 PolarHBondContact O-N 3.24Å; K626-S629 WeakPolarHBondContact CA-OG 3.41Å; K626-S629 PolarHBondContact O-N 2.76Å; K626-S629 PolarHBondContact O-OG 2.75Å
627	A	54.7	Low	55.4	Low	44 Å²	44	102.3 Å²	102.3	36%	0.364	55%	0.549	S	S	.	.	H	α-helix	trans	-64.6	-36.8	178.3	0	0	0	0	0	113.4	K623 A624 F625	K623-A627 WeakPolarHBondContact O-CB 3.41Å; K623-A627 PolarHBondContact O-N 2.74Å; A624-A627 PolarHBondContact O-N 3.44Å; F625-A627 PolarHBondContact O-N 3.11Å
628	W	47.6	Very low	53.2	Low	224 Å²	224	103 Å²	103	85%	0.848	56%	0.557	S	S	*	*	H	α-helix	trans	-77.7	-23.9	175.2	-79.4	22.3	0	0	0	113.3	A624 F625 K626 L630	A624-W628 WeakPolarHBondContact O-CB 3.44Å; A624-W628 PolarHBondContact O-N 2.66Å; F625-W628 PolarHBondContact O-N 3.1Å; K626-W628 PolarHBondContact O-N 3.24Å; W628-L630 PolarHBondContact O-N 3.26Å
629	S	45.9	Very low	51.3	Low	73 Å²	73	106.2 Å²	106.2	51%	0.51	58%	0.576	S	S	.	*	H	α-helix	trans	-75.4	-11	176.4	73.1	0	0	0	0	113.9	F625 K626 P631	F625-S629 VanDerWaalsContact O-CB 3.24Å; F625-S629 WeakPolarHBondContact O-CB 3.44Å; F625-S629 PolarHBondContact O-N 2.92Å; F625-S629 PolarHBondContact O-OG 3.22Å; K626-S629 WeakPolarHBondContact CA-OG 3.41Å; K626-S629 PolarHBondContact O-N 2.76Å; K626-S629 PolarHBondContact O-OG 2.75Å; S629-P631 WeakPolarHBondContact O-CD 3.07Å
630	L	44.7	Very low	49.2	Very low	85 Å²	85	105.9 Å²	105.9	45%	0.445	58%	0.584	S	S	.	*	S	Bend	trans	-65.8	122.8	170.8	-70.8	166.1	0	0	0	109.5	W628 L634	W628-L630 PolarHBondContact O-N 3.26Å; L630-L634 HydrophobicContact CD2-CD1 4.12Å
631	P	42.4	Very low	47.2	Very low	85 Å²	85	107.9 Å²	107.9	55%	0.552	60%	0.595	S	S	*	*			trans	-56.9	144.7	178	-25.7	34.6	0	0	0	112.3	S629 G633 L634	S629-P631 WeakPolarHBondContact O-CD 3.07Å; P631-G633 PolarHBondContact O-N 2.78Å; P631-L634 WeakPolarHBondContact O-CB 3.15Å; P631-L634 PolarHBondContact O-N 2.8Å
632	A	41.4	Very low	45.4	Very low	87 Å²	87	108.3 Å²	108.3	72%	0.719	61%	0.612	S	S	*	*	H	α-helix	trans	-55.7	-25.6	-179.4	0	0	0	0	0	114.2	L634 W635	A632-L634 VanDerWaalsContact C-N 3.26Å; A632-L634 PolarHBondContact O-N 3.37Å; A632-W635 PolarHBondContact O-N 3.06Å
633	G	36.1	Very low	43.5	Very low	56 Å²	56	110.8 Å²	110.8	58%	0.577	63%	0.629	S	S	*	*	H	α-helix	trans	-66.5	-20.5	173.5	0	0	0	0	0	115.1	P631	P631-G633 PolarHBondContact O-N 2.78Å
634	L	42.2	Very low	41.4	Very low	93 Å²	93	109.7 Å²	109.7	49%	0.487	64%	0.639	S	S	.	*	H	α-helix	trans	-79.9	-30.6	178.1	-117.3	154	0	0	0	112	L630 P631 A632 M636 M637 S638	L630-L634 HydrophobicContact CD2-CD1 4.12Å; P631-L634 WeakPolarHBondContact O-CB 3.15Å; P631-L634 PolarHBondContact O-N 2.8Å; A632-L634 VanDerWaalsContact C-N 3.26Å; A632-L634 PolarHBondContact O-N 3.37Å; L634-M636 VanDerWaalsContact C-N 3.28Å; L634-M636 PolarHBondContact O-N 3.04Å; L634-M637 PolarHBondContact O-N 3.14Å; L634-M637 VanDerWaalsContact O-N 3.08Å; L634-S638 PolarHBondContact O-OG 3.47Å
635	W	35.3	Very low	39.6	Very low	169 Å²	169	112.1 Å²	112.1	64%	0.64	65%	0.653	S	S	*	*	H	α-helix	trans	-61.6	-36.7	176.9	-78.5	57.9	0	0	0	111.7	A632 M637 S638	A632-W635 PolarHBondContact O-N 3.06Å; W635-M637 PolarHBondContact O-N 2.89Å; W635-M637 VanDerWaalsContact O-N 3.15Å; W635-S638 WeakPolarHBondContact O-CB 3.05Å; W635-S638 PolarHBondContact O-N 3.49Å; W635-S638 PolarHBondContact O-OG 3.07Å
636	M	38.8	Very low	38.2	Very low	170 Å²	170	116.9 Å²	116.9	84%	0.837	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-10.9	176.2	-68.4	-76	-83.1	0	0	114.5	L634	L634-M636 VanDerWaalsContact C-N 3.28Å; L634-M636 PolarHBondContact O-N 3.04Å
637	M	34.2	Very low	36.8	Very low	130 Å²	130	115 Å²	115	64%	0.64	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	8.4	-179.4	-51.8	-160.7	79.1	0	0	113.4	L634 W635 S639	L634-M637 PolarHBondContact O-N 3.14Å; L634-M637 VanDerWaalsContact O-N 3.08Å; W635-M637 PolarHBondContact O-N 2.89Å; W635-M637 VanDerWaalsContact O-N 3.15Å; M637-S639 PolarHBondContact O-N 2.92Å
638	S	30.3	Very low	35.8	Very low	89 Å²	89	118.9 Å²	118.9	62%	0.622	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-13.6	-170.7	-61.6	0	0	0	0	115	L634 W635 S640	L634-S638 PolarHBondContact O-OG 3.47Å; W635-S638 WeakPolarHBondContact O-CB 3.05Å; W635-S638 PolarHBondContact O-N 3.49Å; W635-S638 PolarHBondContact O-OG 3.07Å; S638-S640 VanDerWaalsContact C-N 3.29Å; S638-S640 PolarHBondContact O-N 3.25Å
639	S	31.9	Very low	35.4	Very low	120 Å²	120	113.6 Å²	113.6	84%	0.839	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-6.8	-173.2	-49.7	0	0	0	0	115.4	M637	M637-S639 PolarHBondContact O-N 2.92Å
640	S	31.7	Very low	35	Very low	97 Å²	97	119 Å²	119	68%	0.678	72%	0.724	S	S	*	*	S	Bend	trans	-130.6	-2.6	-157.5	-51.9	0	0	0	0	116.3	S638	S638-S640 VanDerWaalsContact C-N 3.29Å; S638-S640 PolarHBondContact O-N 3.25Å
641	L	34.4	Very low	34.9	Very low	137 Å²	137	118.3 Å²	118.3	72%	0.717	74%	0.737	S	S	*	*			trans	-126.5	62.9	-164.1	-68.3	175.3	0	0	0	114.4	S643	L641-S643 PolarHBondContact O-N 3.31Å
642	S	29.8	Very low	34.8	Very low	136 Å²	136	123.9 Å²	123.9	95%	0.951	75%	0.747	S	S	*	*			trans	-75.9	60.4	158.7	-63.3	0	0	0	0	111.3
643	S	29.5	Very low	35	Very low	106 Å²	106	124.1 Å²	124.1	74%	0.741	74%	0.741	S	S	*	*			trans	-154.4	145.8	168.9	-167.6	0	0	0	0	111.3	L641	L641-S643 PolarHBondContact O-N 3.31Å
644	S	29.5	Very low	35.5	Very low	118 Å²	118	127.1 Å²	127.1	83%	0.825	74%	0.741	S	S	*	*			trans	-115.7	100.1	-171.4	166.9	0	0	0	0	111.9
645	S	28.4	Very low	35.7	Very low	100 Å²	100	126.1 Å²	126.1	70%	0.699	74%	0.74	S	S	*	*			trans	-166.9	146.9	153.4	38.3	0	0	0	0	111.8
646	E	29.8	Very low	36.2	Very low	193 Å²	193	124.8 Å²	124.8	90%	0.902	74%	0.741	S	S	*	*			trans	37.1	103.5	154.2	-56.3	-169.8	141.3	0	0	119.8
647	A	34.9	Very low	36.8	Very low	104 Å²	104	120 Å²	120	86%	0.86	72%	0.722	S	S	*	*			trans	-127	88.5	164.7	0	0	0	0	0	111
648	T	34	Very low	37.8	Very low	125 Å²	125	117.8 Å²	117.8	77%	0.767	71%	0.711	S	S	*	*			trans	-53.1	133	175.8	49.3	0	0	0	0	114.2
649	T	38.7	Very low	38.9	Very low	113 Å²	113	118.2 Å²	118.2	69%	0.693	70%	0.703	S	S	*	*				167.8	75.6	129.1	36.5	0	0	0	0	112.6	G651	T649-G651 PolarHBondContact O-N 2.89Å
650	N	37	Very low	40.2	Very low	187 Å²	187	118.8 Å²	118.8	100%	1	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	31.4	179.9	-66	-19	0	0	0	114.8
651	G	42.5	Very low	41.2	Very low	70 Å²	70	118.4 Å²	118.4	72%	0.722	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	-0.7	-166.3	0	0	0	0	0	117.4	T649	T649-G651 PolarHBondContact O-N 2.89Å
652	R	39.7	Very low	42.3	Very low	201 Å²	201	115.2 Å²	115.2	76%	0.758	66%	0.664	S	S	*	*			trans	-81	140	176.6	-82.5	-171.4	170	-158.6	-2.5	111.5	M654 P655	R652-M654 VanDerWaalsContact C-N 3.32Å; R652-M654 PolarHBondContact O-N 3.47Å; R652-P655 VanDerWaalsContact O-CD 3.31Å; R652-P655 WeakPolarHBondContact O-CD 3.39Å
653	P	46.1	Very low	43.6	Very low	93 Å²	93	111.6 Å²	111.6	60%	0.604	64%	0.642	S	S	*	*	S	Bend	trans	-74.7	-15.5	-176.8	29	-35.8	0	0	0	114.6	H656 V657	P653-H656 WeakPolarHBondContact O-CA 3.48Å; P653-H656 WeakPolarHBondContact O-CB 3.16Å; P653-H656 PolarHBondContact O-N 3.38Å; P653-V657 PolarHBondContact O-N 3.41Å
654	M	47.8	Very low	44.8	Very low	118 Å²	118	111.8 Å²	111.8	58%	0.581	63%	0.631	S	S	*	*	H	α-helix	trans	-55.3	-46.4	-172.7	-73.6	-64.1	-68.9	0	0	114.9	R652 H656 V657 I658	R652-M654 VanDerWaalsContact C-N 3.32Å; R652-M654 PolarHBondContact O-N 3.47Å; M654-H656 PolarHBondContact O-N 2.99Å; M654-V657 PolarHBondContact O-N 3.23Å; M654-I658 WeakPolarHBondContact O-CG1 3.11Å; M654-I658 PolarHBondContact O-N 3.41Å
655	P	46.2	Very low	46	Very low	72 Å²	72	110.5 Å²	110.5	47%	0.468	62%	0.615	S	S	.	*	H	α-helix	trans	-61.7	-33.6	176.1	-21.8	34.7	0	0	0	112.3	R652 I658 H659	R652-P655 VanDerWaalsContact O-CD 3.31Å; R652-P655 WeakPolarHBondContact O-CD 3.39Å; P655-I658 PolarHBondContact O-N 2.92Å; P655-H659 WeakPolarHBondContact O-CB 3.41Å; P655-H659 PolarHBondContact O-CD2 3.45Å; P655-H659 PolarHBondContact O-N 3.34Å
656	H	46.2	Very low	47.3	Very low	141 Å²	141	111.3 Å²	111.3	65%	0.653	61%	0.612	S	S	*	*	H	α-helix	trans	-71.7	-33.8	179	-134	60.3	0	0	0	112.2	P653 M654 K660	P653-H656 WeakPolarHBondContact O-CA 3.48Å; P653-H656 WeakPolarHBondContact O-CB 3.16Å; P653-H656 PolarHBondContact O-N 3.38Å; M654-H656 PolarHBondContact O-N 2.99Å; H656-K660 PolarHBondContact O-N 2.87Å; H656-K660 VanDerWaalsContact O-N 3.13Å
657	V	50.8	Low	48.4	Very low	71 Å²	71	105.4 Å²	105.4	43%	0.43	60%	0.596	S	S	.	*	H	α-helix	trans	-69	-44.3	170.9	176.7	0	0	0	0	110.9	P653 M654 K660 L661	P653-V657 PolarHBondContact O-N 3.41Å; M654-V657 PolarHBondContact O-N 3.23Å; V657-K660 PolarHBondContact O-N 3.41Å; V657-L661 HydrophobicContact CG1-CD1 3.92Å; V657-L661 HydrophobicContact CG1-CG 4.39Å; V657-L661 WeakPolarHBondContact O-CG 3.02Å; V657-L661 PolarHBondContact O-N 3.28Å
658	I	54.7	Low	49.1	Very low	82 Å²	82	105.1 Å²	105.1	42%	0.421	58%	0.579	S	S	.	*	H	α-helix	trans	-63.6	-43.2	177.5	-65.6	163.9	0	0	0	111	M654 P655 K660 L661 N662	M654-I658 WeakPolarHBondContact O-CG1 3.11Å; M654-I658 PolarHBondContact O-N 3.41Å; P655-I658 PolarHBondContact O-N 2.92Å; I658-K660 VanDerWaalsContact C-N 3.32Å; I658-K660 PolarHBondContact O-N 2.87Å; I658-L661 PolarHBondContact O-N 2.88Å; I658-N662 WeakPolarHBondContact O-CB 3.37Å; I658-N662 PolarHBondContact O-N 2.99Å
659	H	54.6	Low	50.1	Low	99 Å²	99	103.4 Å²	103.4	46%	0.458	57%	0.569	S	S	.	*	H	α-helix	trans	-61.2	-37.4	174.1	-88.5	-70.9	0	0	0	112.8	F625 P655 A663	F625-H659 AromaticContact CE1-CE1 3.61Å; F625-H659 AromaticContact CE1-NE2 3.62Å; F625-H659 AromaticContact CZ-CE1 3.37Å; F625-H659 WeakPolarHBondContact CZ-CE1 3.48Å; F625-H659 AromaticContact CZ-NE2 3.63Å; P655-H659 WeakPolarHBondContact O-CB 3.41Å; P655-H659 PolarHBondContact O-CD2 3.45Å; P655-H659 PolarHBondContact O-N 3.34Å; H659-A663 VanDerWaalsContact O-CB 3.25Å; H659-A663 WeakPolarHBondContact O-CB 3.42Å; H659-A663 PolarHBondContact O-N 2.86Å
660	K	57.1	Low	50.5	Low	132 Å²	132	102.7 Å²	102.7	57%	0.574	57%	0.566	S	S	*	*	H	α-helix	trans	-67.2	-48.7	173	-81.3	-168.7	174.7	-170.1	0	112.5	H656 V657 I658 N662 A663 E664	H656-K660 PolarHBondContact O-N 2.87Å; H656-K660 VanDerWaalsContact O-N 3.13Å; V657-K660 PolarHBondContact O-N 3.41Å; I658-K660 VanDerWaalsContact C-N 3.32Å; I658-K660 PolarHBondContact O-N 2.87Å; K660-N662 VanDerWaalsContact C-N 3.29Å; K660-N662 PolarHBondContact O-N 2.92Å; K660-A663 PolarHBondContact O-N 3.34Å; K660-E664 WeakPolarHBondContact O-CB 3.36Å; K660-E664 WeakPolarHBondContact O-CG 3.34Å; K660-E664 PolarHBondContact O-N 2.9Å
661	L	54.7	Low	51.1	Low	89 Å²	89	99 Å²	99	47%	0.466	55%	0.546	S	S	.	.	H	α-helix	trans	-61.7	-37.8	179.9	-70.3	170.7	0	0	0	112	V657 I658 N665	V657-L661 HydrophobicContact CG1-CD1 3.92Å; V657-L661 HydrophobicContact CG1-CG 4.39Å; V657-L661 WeakPolarHBondContact O-CG 3.02Å; V657-L661 PolarHBondContact O-N 3.28Å; I658-L661 PolarHBondContact O-N 2.88Å; L661-N665 WeakPolarHBondContact O-CB 3.4Å; L661-N665 VanDerWaalsContact O-CG 3.28Å; L661-N665 PolarHBondContact O-N 2.97Å; L661-N665 PolarHBondContact O-ND2 3.11Å
662	N	56	Low	51.6	Low	70 Å²	70	99.6 Å²	99.6	37%	0.374	54%	0.539	S	S	.	.	H	α-helix	trans	-69.9	-43.8	174.5	-71.1	1.9	0	0	0	111.8	I658 K660 E664 N665 D666	I658-N662 WeakPolarHBondContact O-CB 3.37Å; I658-N662 PolarHBondContact O-N 2.99Å; K660-N662 VanDerWaalsContact C-N 3.29Å; K660-N662 PolarHBondContact O-N 2.92Å; N662-E664 VanDerWaalsContact C-N 3.3Å; N662-E664 PolarHBondContact O-N 2.8Å; N662-N665 PolarHBondContact O-N 3.21Å; N662-D666 PolarHBondContact O-N 3.46Å
663	A	56.5	Low	52.5	Low	59 Å²	59	90.8 Å²	90.8	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-32.3	175.6	0	0	0	0	0	113	H659 K660 A667	H659-A663 VanDerWaalsContact O-CB 3.25Å; H659-A663 WeakPolarHBondContact O-CB 3.42Å; H659-A663 PolarHBondContact O-N 2.86Å; K660-A663 PolarHBondContact O-N 3.34Å; A663-A667 VanDerWaalsContact O-CB 3.25Å; A663-A667 WeakPolarHBondContact O-CB 3.26Å; A663-A667 PolarHBondContact O-N 2.97Å
664	E	54.8	Low	53.3	Low	110 Å²	110	95.8 Å²	95.8	51%	0.514	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-44.8	171.4	-75.2	169.1	-162.7	0	0	110.4	K660 N662 A667 L668	K660-E664 WeakPolarHBondContact O-CB 3.36Å; K660-E664 WeakPolarHBondContact O-CG 3.34Å; K660-E664 PolarHBondContact O-N 2.9Å; N662-E664 VanDerWaalsContact C-N 3.3Å; N662-E664 PolarHBondContact O-N 2.8Å; E664-A667 CarbonylContact O-C 3.59Å; E664-A667 PolarHBondContact O-N 2.94Å; E664-L668 VanDerWaalsContact O-CG 3.24Å; E664-L668 WeakPolarHBondContact O-CG 3.14Å; E664-L668 PolarHBondContact O-N 2.64Å
665	N	56.6	Low	54.4	Low	92 Å²	92	93.6 Å²	93.6	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-42.7	173.8	-74.1	-38.6	0	0	0	113.1	L661 N662 A667 L668 T669	L661-N665 WeakPolarHBondContact O-CB 3.4Å; L661-N665 VanDerWaalsContact O-CG 3.28Å; L661-N665 PolarHBondContact O-N 2.97Å; L661-N665 PolarHBondContact O-ND2 3.11Å; N662-N665 PolarHBondContact O-N 3.21Å; N665-A667 VanDerWaalsContact C-N 3.3Å; N665-A667 PolarHBondContact O-N 3.29Å; N665-L668 CarbonylContact O-C 3.28Å; N665-L668 WeakPolarHBondContact O-CB 3.22Å; N665-L668 PolarHBondContact O-N 3.36Å; N665-L668 VanDerWaalsContact O-N 3.08Å; N665-T669 PolarHBondContact O-N 2.96Å; N665-T669 PolarHBondContact O-OG1 3.46Å
666	D	54.7	Low	55.5	Low	116 Å²	116	97 Å²	97	62%	0.62	52%	0.524	S	S	*	.	H	α-helix	trans	-64.4	-34.5	175	-74.6	-30.9	0	0	0	111.5	N662 T669 P670	N662-D666 PolarHBondContact O-N 3.46Å; D666-T669 PolarHBondContact O-N 3.46Å; D666-P670 WeakPolarHBondContact O-CD 3.38Å
667	A	53.8	Low	56.6	Low	69 Å²	69	98.3 Å²	98.3	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-72.7	-24.5	171.2	0	0	0	0	0	113.9	A663 E664 N665	A663-A667 VanDerWaalsContact O-CB 3.25Å; A663-A667 WeakPolarHBondContact O-CB 3.26Å; A663-A667 PolarHBondContact O-N 2.97Å; E664-A667 CarbonylContact O-C 3.59Å; E664-A667 PolarHBondContact O-N 2.94Å; N665-A667 VanDerWaalsContact C-N 3.3Å; N665-A667 PolarHBondContact O-N 3.29Å
668	L	49.4	Very low	57.9	Low	98 Å²	98	99.3 Å²	99.3	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-79.1	-23.1	171.6	-69	171.5	0	0	0	112.3	E664 N665 L671	E664-L668 VanDerWaalsContact O-CG 3.24Å; E664-L668 WeakPolarHBondContact O-CG 3.14Å; E664-L668 PolarHBondContact O-N 2.64Å; N665-L668 CarbonylContact O-C 3.28Å; N665-L668 WeakPolarHBondContact O-CB 3.22Å; N665-L668 PolarHBondContact O-N 3.36Å; N665-L668 VanDerWaalsContact O-N 3.08Å; L668-L671 HydrophobicContact CD2-CD1 3.65Å; L668-L671 WeakPolarHBondContact O-CA 3.27Å; L668-L671 VanDerWaalsContact O-CB 3.26Å; L668-L671 WeakPolarHBondContact O-CB 3.33Å; L668-L671 PolarHBondContact O-N 2.92Å
669	T	54.4	Low	58.9	Low	89 Å²	89	98.1 Å²	98.1	55%	0.546	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-62.6	-40.5	-176.9	-45.8	0	0	0	0	113.2	N665 D666 L671 S672	N665-T669 PolarHBondContact O-N 2.96Å; N665-T669 PolarHBondContact O-OG1 3.46Å; D666-T669 PolarHBondContact O-N 3.46Å; T669-L671 PolarHBondContact O-N 2.92Å; T669-S672 WeakPolarHBondContact O-CB 3.42Å; T669-S672 PolarHBondContact O-N 2.97Å
670	P	47.3	Very low	60.1	Low	99 Å²	99	102 Å²	102	64%	0.643	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.4	168.7	-29	36	0	0	0	115	D666 S672 G673	D666-P670 WeakPolarHBondContact O-CD 3.38Å; P670-S672 PolarHBondContact O-N 3.46Å; P670-G673 PolarHBondContact O-N 2.96Å; P670-G673 VanDerWaalsContact O-N 3.09Å
671	L	50.3	Low	61.3	Low	108 Å²	108	99.4 Å²	99.4	57%	0.565	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-70	-14	174.8	-59.6	173.8	0	0	0	112.5	L668 T669 G673 R674	L668-L671 HydrophobicContact CD2-CD1 3.65Å; L668-L671 WeakPolarHBondContact O-CA 3.27Å; L668-L671 VanDerWaalsContact O-CB 3.26Å; L668-L671 WeakPolarHBondContact O-CB 3.33Å; L668-L671 PolarHBondContact O-N 2.92Å; T669-L671 PolarHBondContact O-N 2.92Å; L671-G673 PolarHBondContact O-N 3.42Å; L671-R674 WeakPolarHBondContact O-CB 3.41Å; L671-R674 PolarHBondContact O-N 2.94Å
672	S	51.6	Low	62.7	Low	83 Å²	83	99.9 Å²	99.9	58%	0.58	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-59.3	-34.3	167.6	-166.7	0	0	0	0	111.6	T669 P670 R674 S675	T669-S672 WeakPolarHBondContact O-CB 3.42Å; T669-S672 PolarHBondContact O-N 2.97Å; P670-S672 PolarHBondContact O-N 3.46Å; S672-R674 PolarHBondContact O-N 3.44Å; S672-S675 WeakPolarHBondContact O-CB 3.49Å; S672-S675 PolarHBondContact O-N 3.46Å; S672-S675 PolarHBondContact O-OG 2.89Å
673	G	59.2	Low	64.2	Low	17 Å²	17	101 Å²	101	18%	0.175	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-60.9	-14.8	173.6	0	0	0	0	0	114.2	P670 L671 S675 E676 Y677	P670-G673 PolarHBondContact O-N 2.96Å; P670-G673 VanDerWaalsContact O-N 3.09Å; L671-G673 PolarHBondContact O-N 3.42Å; G673-S675 PolarHBondContact O-N 2.71Å; G673-E676 WeakPolarHBondContact O-CB 3.45Å; G673-E676 PolarHBondContact O-N 2.66Å; G673-Y677 WeakPolarHBondContact O-CD2 3.33Å; G673-Y677 PolarHBondContact O-N 2.73Å
674	R	63.5	Low	65.5	Low	197 Å²	197	102.6 Å²	102.6	74%	0.743	54%	0.541	S	S	*	.	H	α-helix	trans	-58.6	-26.4	169.3	-167.5	176.2	-177.7	174.9	1.2	112	L671 S672 N678	L671-R674 WeakPolarHBondContact O-CB 3.41Å; L671-R674 PolarHBondContact O-N 2.94Å; S672-R674 PolarHBondContact O-N 3.44Å; R674-N678 VanDerWaalsContact O-CB 3.29Å; R674-N678 WeakPolarHBondContact O-CB 3.31Å; R674-N678 PolarHBondContact O-N 2.7Å
675	S	71.1	Confident	67.1	Low	73 Å²	73	101.9 Å²	101.9	51%	0.51	54%	0.536	S	S	.	.	H	α-helix	trans	-67.3	-44.4	171.9	64.9	0	0	0	0	112.2	S672 G673 N678 A679	S672-S675 WeakPolarHBondContact O-CB 3.49Å; S672-S675 PolarHBondContact O-N 3.46Å; S672-S675 PolarHBondContact O-OG 2.89Å; G673-S675 PolarHBondContact O-N 2.71Å; S675-N678 PolarHBondContact O-N 2.8Å; S675-A679 WeakPolarHBondContact O-CB 3.35Å; S675-A679 PolarHBondContact O-N 3.41Å
676	E	68.3	Low	68.6	Low	144 Å²	144	104.8 Å²	104.8	67%	0.673	55%	0.545	S	S	*	.	H	α-helix	trans	-64.2	-44.6	176.3	-59.1	-179.2	178	0	0	111.6	G673 N678 A679 R680	G673-E676 WeakPolarHBondContact O-CB 3.45Å; G673-E676 PolarHBondContact O-N 2.66Å; E676-N678 PolarHBondContact O-N 3.43Å; E676-A679 PolarHBondContact O-N 3.11Å; E676-R680 WeakPolarHBondContact O-CB 3.4Å; E676-R680 PolarHBondContact O-N 3.43Å
677	Y	69.5	Low	70	Confident	168 Å²	168	102.8 Å²	102.8	66%	0.659	53%	0.531	S	S	*	.	H	α-helix	trans	-59.8	-44.4	173.5	-75.9	-69.6	0	0	0	111.8	G673 R680 I681	G673-Y677 WeakPolarHBondContact O-CD2 3.33Å; G673-Y677 PolarHBondContact O-N 2.73Å; Y677-R680 PolarHBondContact O-N 2.98Å; Y677-I681 WeakPolarHBondContact O-CD1 3.49Å; Y677-I681 VanDerWaalsContact O-CG1 3.25Å; Y677-I681 WeakPolarHBondContact O-CG1 3.49Å; Y677-I681 PolarHBondContact O-N 2.92Å
678	N	77.4	Confident	71.5	Confident	91 Å²	91	101 Å²	101	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-43	177.5	-169.9	22.6	0	0	0	111.9	R674 S675 E676 R680 I681 Q682	R674-N678 VanDerWaalsContact O-CB 3.29Å; R674-N678 WeakPolarHBondContact O-CB 3.31Å; R674-N678 PolarHBondContact O-N 2.7Å; S675-N678 PolarHBondContact O-N 2.8Å; E676-N678 PolarHBondContact O-N 3.43Å; N678-R680 VanDerWaalsContact C-N 3.35Å; N678-R680 PolarHBondContact O-N 2.99Å; N678-I681 PolarHBondContact O-N 2.93Å; N678-Q682 WeakPolarHBondContact O-CG 3.48Å; N678-Q682 PolarHBondContact O-N 3.41Å
679	A	76.2	Confident	73.2	Confident	57 Å²	57	100 Å²	100	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-60.2	-43.7	174.7	0	0	0	0	0	111.8	S675 E676 I681 Q682 T683	S675-A679 WeakPolarHBondContact O-CB 3.35Å; S675-A679 PolarHBondContact O-N 3.41Å; E676-A679 PolarHBondContact O-N 3.11Å; A679-I681 PolarHBondContact O-N 3.16Å; A679-Q682 PolarHBondContact O-N 3.19Å; A679-T683 PolarHBondContact O-N 2.99Å; A679-T683 PolarHBondContact O-OG1 3.29Å
680	R	79.2	Confident	74.8	Confident	180 Å²	180	102.1 Å²	102.1	68%	0.679	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-39.2	176.6	-166.8	171.6	-176.2	171.3	0.2	112.3	E676 Y677 N678 T683 L684	E676-R680 WeakPolarHBondContact O-CB 3.4Å; E676-R680 PolarHBondContact O-N 3.43Å; Y677-R680 PolarHBondContact O-N 2.98Å; N678-R680 VanDerWaalsContact C-N 3.35Å; N678-R680 PolarHBondContact O-N 2.99Å; R680-T683 PolarHBondContact O-N 3.19Å; R680-L684 HydrophobicContact CG-CD1 4.39Å; R680-L684 WeakPolarHBondContact O-CG 3.45Å; R680-L684 PolarHBondContact O-N 2.84Å
681	I	82.3	Confident	76.7	Confident	79 Å²	79	104.2 Å²	104.2	41%	0.405	50%	0.504	S	S	.	.	H	α-helix	trans	-62.1	-43.1	173.2	-70.8	162.7	0	0	0	111	Y677 N678 A679 L684 K685	Y677-I681 WeakPolarHBondContact O-CD1 3.49Å; Y677-I681 VanDerWaalsContact O-CG1 3.25Å; Y677-I681 WeakPolarHBondContact O-CG1 3.49Å; Y677-I681 PolarHBondContact O-N 2.92Å; N678-I681 PolarHBondContact O-N 2.93Å; A679-I681 PolarHBondContact O-N 3.16Å; I681-L684 PolarHBondContact O-N 3.05Å; I681-K685 WeakPolarHBondContact O-CG 3.37Å; I681-K685 PolarHBondContact O-N 3.48Å
682	Q	84.2	Confident	78.4	Confident	99 Å²	99	102 Å²	102	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-39.7	177.6	-69.1	-70.2	0.7	0	0	112.6	N678 A679 K685 K686	N678-Q682 WeakPolarHBondContact O-CG 3.48Å; N678-Q682 PolarHBondContact O-N 3.41Å; A679-Q682 PolarHBondContact O-N 3.19Å; Q682-K685 PolarHBondContact O-N 3.08Å; Q682-K686 PolarHBondContact O-N 2.79Å; Q682-K686 VanDerWaalsContact O-N 3.16Å
683	T	87.2	Confident	80	Confident	93 Å²	93	101.6 Å²	101.6	57%	0.571	48%	0.481	S	S	*	.	H	α-helix	trans	-63.3	-46.2	173.8	-60	0	0	0	0	111.6	A679 R680 K685 K686 E687	A679-T683 PolarHBondContact O-N 2.99Å; A679-T683 PolarHBondContact O-OG1 3.29Å; R680-T683 PolarHBondContact O-N 3.19Å; T683-K685 VanDerWaalsContact C-N 3.32Å; T683-K685 PolarHBondContact O-N 3.45Å; T683-K686 PolarHBondContact O-N 2.74Å; T683-K686 VanDerWaalsContact O-N 3.17Å; T683-E687 PolarHBondContact O-N 2.92Å
684	L	85.4	Confident	81.3	Confident	93 Å²	93	105 Å²	105	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-37	177	-72.3	168.8	0	0	0	112.4	R680 I681 E687 L688	R680-L684 HydrophobicContact CG-CD1 4.39Å; R680-L684 WeakPolarHBondContact O-CG 3.45Å; R680-L684 PolarHBondContact O-N 2.84Å; I681-L684 PolarHBondContact O-N 3.05Å; L684-E687 PolarHBondContact O-N 3.09Å; L684-L688 VanDerWaalsContact O-CB 3.26Å; L684-L688 WeakPolarHBondContact O-CB 3.07Å; L684-L688 PolarHBondContact O-N 3.06Å
685	K	87.3	Confident	82.2	Confident	94 Å²	94	97.2 Å²	97.2	41%	0.409	48%	0.476	S	S	.	.	H	α-helix	trans	-61.2	-43.8	172.8	-77.5	-174	175.2	-166.4	0	112.5	L28 I681 Q682 T683 L688 E689	L28-K685 VanDerWaalsContact CD2-NZ 3.28Å; I681-K685 WeakPolarHBondContact O-CG 3.37Å; I681-K685 PolarHBondContact O-N 3.48Å; Q682-K685 PolarHBondContact O-N 3.08Å; T683-K685 VanDerWaalsContact C-N 3.32Å; T683-K685 PolarHBondContact O-N 3.45Å; K685-L688 PolarHBondContact O-N 3.1Å; K685-E689 PolarHBondContact O-N 2.95Å; K685-E689 VanDerWaalsContact O-N 3.08Å
686	K	88	Confident	82.9	Confident	153 Å²	153	101 Å²	101	67%	0.665	48%	0.479	S	S	*	.	H	α-helix	trans	-63.6	-41.8	176.7	-71.8	-178.3	177.7	-176.5	0	112	Q682 T683 E689 Q690	Q682-K686 PolarHBondContact O-N 2.79Å; Q682-K686 VanDerWaalsContact O-N 3.16Å; T683-K686 PolarHBondContact O-N 2.74Å; T683-K686 VanDerWaalsContact O-N 3.17Å; K686-E689 PolarHBondContact O-N 3.41Å; K686-Q690 WeakPolarHBondContact O-CG 3.05Å; K686-Q690 PolarHBondContact O-N 2.85Å
687	E	84.4	Confident	83.9	Confident	74 Å²	74	100.5 Å²	100.5	35%	0.346	48%	0.475	S	S	.	.	H	α-helix	trans	-67	-41	177.2	-161.3	-166.6	154.3	0	0	112.1	T683 L684 E689 Q690 R691	T683-E687 PolarHBondContact O-N 2.92Å; L684-E687 PolarHBondContact O-N 3.09Å; E687-E689 VanDerWaalsContact C-N 3.34Å; E687-E689 PolarHBondContact O-N 3.4Å; E687-Q690 PolarHBondContact O-N 3.48Å; E687-R691 WeakPolarHBondContact O-CG 2.97Å; E687-R691 PolarHBondContact O-N 3.4Å; E687-R691 IonicContact OE1-CZ 2.72Å; E687-R691 IonicContact OE1-NE 3.72Å; E687-R691 PolarHBondContact OE1-NE 3.03Å; E687-R691 IonicContact OE1-NH2 2.65Å; E687-R691 PolarHBondContact OE1-NH2 3.42Å
688	L	84.4	Confident	84.7	Confident	32 Å²	32	97.4 Å²	97.4	17%	0.168	47%	0.469	C	S	.	.	H	α-helix	trans	-60.7	-42.4	176.7	-167.5	161.2	0	0	0	111.1	L21 L684 K685 R691 K692	L21-L688 HydrophobicContact CB-CD1 4.46Å; L21-L688 HydrophobicContact CD2-CD1 3.9Å; L21-L688 HydrophobicContact CD2-CG 4.31Å; L684-L688 VanDerWaalsContact O-CB 3.26Å; L684-L688 WeakPolarHBondContact O-CB 3.07Å; L684-L688 PolarHBondContact O-N 3.06Å; K685-L688 PolarHBondContact O-N 3.1Å; L688-R691 PolarHBondContact O-N 3.37Å; L688-K692 HydrophobicContact CD2-CD 3.77Å; L688-K692 VanDerWaalsContact CD2-CE 3.46Å; L688-K692 HydrophobicContact CD2-CG 4.11Å; L688-K692 PolarHBondContact O-N 3.02Å
689	E	86.8	Confident	85	Confident	76 Å²	76	96.7 Å²	96.7	36%	0.355	47%	0.468	S	S	.	.	H	α-helix	trans	-69.4	-37.7	176.7	-173	51.1	-143.8	0	0	112.5	K685 K686 E687 R691 K692 N693 R696	K685-E689 PolarHBondContact O-N 2.95Å; K685-E689 VanDerWaalsContact O-N 3.08Å; K686-E689 PolarHBondContact O-N 3.41Å; E687-E689 VanDerWaalsContact C-N 3.34Å; E687-E689 PolarHBondContact O-N 3.4Å; E689-R691 VanDerWaalsContact C-N 3.34Å; E689-R691 PolarHBondContact O-N 3Å; E689-K692 PolarHBondContact O-N 3.07Å; E689-K692 WeakPolarHBondContact OE2-CD 3.04Å; E689-N693 PolarHBondContact O-N 3.17Å; E689-N693 PolarHBondContact O-ND2 3.18Å; E689-N693 PolarHBondContact OE1-ND2 3.15Å; E689-N693 PolarHBondContact OE1-OD1 2.9Å; E689-R696 IonicContact OE1-NH2 2.69Å; E689-R696 PolarHBondContact OE1-NH2 2.84Å
690	Q	88	Confident	85.4	Confident	134 Å²	134	101.1 Å²	101.1	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-59.8	-44.3	170.2	-73.5	176.5	-7	0	0	111.6	K686 E687 N693 V694	K686-Q690 WeakPolarHBondContact O-CG 3.05Å; K686-Q690 PolarHBondContact O-N 2.85Å; E687-Q690 PolarHBondContact O-N 3.48Å; Q690-N693 PolarHBondContact O-N 3.42Å; Q690-V694 WeakPolarHBondContact O-CG2 3.44Å; Q690-V694 PolarHBondContact O-N 3.43Å
691	R	86	Confident	85.8	Confident	143 Å²	143	95.5 Å²	95.5	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-63.3	-42.3	175.8	-70.6	171	178.1	-129.8	7.5	112	E687 L688 E689 N693 V694 A695	E687-R691 WeakPolarHBondContact O-CG 2.97Å; E687-R691 PolarHBondContact O-N 3.4Å; E687-R691 IonicContact OE1-CZ 2.72Å; E687-R691 IonicContact OE1-NE 3.72Å; E687-R691 PolarHBondContact OE1-NE 3.03Å; E687-R691 IonicContact OE1-NH2 2.65Å; E687-R691 PolarHBondContact OE1-NH2 3.42Å; L688-R691 PolarHBondContact O-N 3.37Å; E689-R691 VanDerWaalsContact C-N 3.34Å; E689-R691 PolarHBondContact O-N 3Å; R691-N693 VanDerWaalsContact C-N 3.31Å; R691-N693 PolarHBondContact O-N 3.24Å; R691-V694 PolarHBondContact O-N 2.89Å; R691-A695 WeakPolarHBondContact O-CB 3.43Å; R691-A695 PolarHBondContact O-N 3.41Å
692	K	85.6	Confident	85.9	Confident	61 Å²	61	99.2 Å²	99.2	27%	0.265	47%	0.465	S	S	.	.	H	α-helix	trans	-57.2	-41.9	172.1	-82.5	177.5	173.7	173.2	0	111.8	S25 L688 E689 A695 R696	S25-K692 PolarHBondContact OG-NZ 3.16Å; L688-K692 HydrophobicContact CD2-CD 3.77Å; L688-K692 VanDerWaalsContact CD2-CE 3.46Å; L688-K692 HydrophobicContact CD2-CG 4.11Å; L688-K692 PolarHBondContact O-N 3.02Å; E689-K692 PolarHBondContact O-N 3.07Å; E689-K692 WeakPolarHBondContact OE2-CD 3.04Å; K692-A695 PolarHBondContact O-N 2.94Å; K692-R696 WeakPolarHBondContact O-CG 3.04Å; K692-R696 PolarHBondContact O-N 3.29Å
693	N	86.4	Confident	86	Confident	75 Å²	75	98.5 Å²	98.5	40%	0.401	46%	0.464	S	S	.	.	H	α-helix	trans	-71.6	-38.2	179.9	-71.3	-42.6	0	0	0	113.4	E689 Q690 R691 R696 K697	E689-N693 PolarHBondContact O-N 3.17Å; E689-N693 PolarHBondContact O-ND2 3.18Å; E689-N693 PolarHBondContact OE1-ND2 3.15Å; E689-N693 PolarHBondContact OE1-OD1 2.9Å; Q690-N693 PolarHBondContact O-N 3.42Å; R691-N693 VanDerWaalsContact C-N 3.31Å; R691-N693 PolarHBondContact O-N 3.24Å; N693-R696 PolarHBondContact O-N 2.86Å; N693-R696 VanDerWaalsContact OD1-CZ 3.27Å; N693-R696 PolarHBondContact OD1-NE 3.48Å; N693-R696 VanDerWaalsContact OD1-NE 3.16Å; N693-R696 PolarHBondContact OD1-NH2 3.15Å; N693-K697 PolarHBondContact O-N 2.89Å
694	V	86.2	Confident	86	Confident	88 Å²	88	97.8 Å²	97.8	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-42.8	170.4	173.8	0	0	0	0	111	Q690 R691 K697 L698	Q690-V694 WeakPolarHBondContact O-CG2 3.44Å; Q690-V694 PolarHBondContact O-N 3.43Å; R691-V694 PolarHBondContact O-N 2.89Å; V694-K697 PolarHBondContact O-N 3.45Å; V694-L698 HydrophobicContact CG1-CD1 3.9Å; V694-L698 HydrophobicContact CG1-CG 4.34Å; V694-L698 WeakPolarHBondContact O-CG 2.94Å; V694-L698 PolarHBondContact O-N 3.48Å
695	A	82.9	Confident	86.1	Confident	35 Å²	35	101.5 Å²	101.5	29%	0.289	46%	0.462	S	S	.	.	H	α-helix	trans	-62.9	-43.5	177.2	0	0	0	0	0	112.7	R691 K692 K697 L698 T699	R691-A695 WeakPolarHBondContact O-CB 3.43Å; R691-A695 PolarHBondContact O-N 3.41Å; K692-A695 PolarHBondContact O-N 2.94Å; A695-K697 VanDerWaalsContact C-N 3.35Å; A695-K697 PolarHBondContact O-N 3.21Å; A695-L698 PolarHBondContact O-N 2.88Å; A695-T699 WeakPolarHBondContact O-CB 2.95Å; A695-T699 PolarHBondContact O-N 3.38Å; A695-T699 PolarHBondContact O-OG1 3.3Å
696	R	84.8	Confident	86	Confident	151 Å²	151	99.9 Å²	99.9	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-56.5	-46.1	172	-78	-171.2	-85.2	-147.6	-6.7	111.6	E689 K692 N693 T699 Y700	E689-R696 IonicContact OE1-NH2 2.69Å; E689-R696 PolarHBondContact OE1-NH2 2.84Å; K692-R696 WeakPolarHBondContact O-CG 3.04Å; K692-R696 PolarHBondContact O-N 3.29Å; N693-R696 PolarHBondContact O-N 2.86Å; N693-R696 VanDerWaalsContact OD1-CZ 3.27Å; N693-R696 PolarHBondContact OD1-NE 3.48Å; N693-R696 VanDerWaalsContact OD1-NE 3.16Å; N693-R696 PolarHBondContact OD1-NH2 3.15Å; R696-T699 PolarHBondContact O-N 3.06Å; R696-Y700 PolarHBondContact O-N 3.03Å; R696-Y700 VanDerWaalsContact O-N 3.11Å
697	K	89	Confident	86	Confident	134 Å²	134	98.9 Å²	98.9	58%	0.583	46%	0.459	S	S	*	.	H	α-helix	trans	-63.5	-47	177.8	-165.9	-175.8	-173.1	-112.1	0	112.7	N693 V694 A695 T699 Y700 E701	N693-K697 PolarHBondContact O-N 2.89Å; V694-K697 PolarHBondContact O-N 3.45Å; A695-K697 VanDerWaalsContact C-N 3.35Å; A695-K697 PolarHBondContact O-N 3.21Å; K697-T699 VanDerWaalsContact C-N 3.3Å; K697-T699 PolarHBondContact O-N 3.4Å; K697-Y700 WeakPolarHBondContact O-CB 3.32Å; K697-Y700 PolarHBondContact O-N 2.96Å; K697-E701 VanDerWaalsContact CE-OE1 3.31Å; K697-E701 WeakPolarHBondContact CE-OE1 3.29Å; K697-E701 IonicContact NZ-OE1 3.39Å; K697-E701 PolarHBondContact NZ-OE1 2.9Å; K697-E701 PolarHBondContact O-N 3.48Å
698	L	86.2	Confident	86.2	Confident	104 Å²	104	101.6 Å²	101.6	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-63.6	-35.1	178.9	-71.9	172.6	0	0	0	112.3	V694 A695 E701 Y702	V694-L698 HydrophobicContact CG1-CD1 3.9Å; V694-L698 HydrophobicContact CG1-CG 4.34Å; V694-L698 WeakPolarHBondContact O-CG 2.94Å; V694-L698 PolarHBondContact O-N 3.48Å; A695-L698 PolarHBondContact O-N 2.88Å; L698-E701 PolarHBondContact O-N 3.25Å; L698-Y702 WeakPolarHBondContact O-CB 3.45Å; L698-Y702 PolarHBondContact O-N 3.1Å
699	T	84.7	Confident	86.4	Confident	75 Å²	75	106.6 Å²	106.6	46%	0.46	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-40.4	175.2	-54.3	0	0	0	0	111.1	A695 R696 K697 N703	A695-T699 WeakPolarHBondContact O-CB 2.95Å; A695-T699 PolarHBondContact O-N 3.38Å; A695-T699 PolarHBondContact O-OG1 3.3Å; R696-T699 PolarHBondContact O-N 3.06Å; K697-T699 VanDerWaalsContact C-N 3.3Å; K697-T699 PolarHBondContact O-N 3.4Å; T699-N703 WeakPolarHBondContact O-CB 3.27Å; T699-N703 PolarHBondContact O-N 2.93Å; T699-N703 PolarHBondContact O-ND2 2.66Å
700	Y	85	Confident	86.5	Confident	151 Å²	151	107.5 Å²	107.5	59%	0.592	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-47	173.3	-177.1	-88.5	0	0	0	112.2	R696 K697 Y702 N703 Q704	R696-Y700 PolarHBondContact O-N 3.03Å; R696-Y700 VanDerWaalsContact O-N 3.11Å; K697-Y700 WeakPolarHBondContact O-CB 3.32Å; K697-Y700 PolarHBondContact O-N 2.96Å; Y700-Y702 PolarHBondContact O-N 2.7Å; Y700-N703 PolarHBondContact O-N 3.33Å; Y700-Q704 HydrophobicContact CD1-CG 4.15Å; Y700-Q704 HydrophobicContact CE1-CG 3.75Å; Y700-Q704 WeakPolarHBondContact O-CG 3.39Å; Y700-Q704 PolarHBondContact O-N 2.61Å; Y700-Q704 PolarHBondContact OH-NE2 3.34Å
701	E	86.8	Confident	86.6	Confident	61 Å²	61	105.8 Å²	105.8	29%	0.285	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-40.2	177	-71.6	-177.8	-155.8	0	0	112.4	K697 L698 Q704 R705	K697-E701 VanDerWaalsContact CE-OE1 3.31Å; K697-E701 WeakPolarHBondContact CE-OE1 3.29Å; K697-E701 IonicContact NZ-OE1 3.39Å; K697-E701 PolarHBondContact NZ-OE1 2.9Å; K697-E701 PolarHBondContact O-N 3.48Å; L698-E701 PolarHBondContact O-N 3.25Å; E701-Q704 PolarHBondContact O-N 3.08Å; E701-R705 WeakPolarHBondContact O-CG 3.46Å; E701-R705 PolarHBondContact O-N 3.37Å
702	Y	84.9	Confident	86.7	Confident	157 Å²	157	102.6 Å²	102.6	62%	0.616	49%	0.494	S	S	*	.	H	α-helix	trans	-62.3	-47.7	174	178.3	-95	0	0	0	111.7	L698 Y700 Q704 R705 S706	L698-Y702 WeakPolarHBondContact O-CB 3.45Å; L698-Y702 PolarHBondContact O-N 3.1Å; Y700-Y702 PolarHBondContact O-N 2.7Å; Y702-Q704 VanDerWaalsContact C-N 3.31Å; Y702-Q704 PolarHBondContact O-N 2.78Å; Y702-R705 PolarHBondContact O-N 2.99Å; Y702-S706 WeakPolarHBondContact O-CB 3.37Å; Y702-S706 PolarHBondContact O-N 3.39Å
703	N	85.7	Confident	86.9	Confident	84 Å²	84	104.3 Å²	104.3	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-36.9	179.2	-73.4	-12.2	0	0	0	112.3	T699 Y700 K707	T699-N703 WeakPolarHBondContact O-CB 3.27Å; T699-N703 PolarHBondContact O-N 2.93Å; T699-N703 PolarHBondContact O-ND2 2.66Å; Y700-N703 PolarHBondContact O-N 3.33Å; N703-K707 WeakPolarHBondContact O-CG 3.5Å; N703-K707 PolarHBondContact O-N 3.48Å; N703-K707 VanDerWaalsContact O-N 3.15Å
704	Q	87.8	Confident	87	Confident	79 Å²	79	105.4 Å²	105.4	37%	0.369	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-44.7	174	-68.8	-70.1	23.5	0	0	112.2	Y700 E701 Y702 S706 K707 Q708	Y700-Q704 HydrophobicContact CD1-CG 4.15Å; Y700-Q704 HydrophobicContact CE1-CG 3.75Å; Y700-Q704 WeakPolarHBondContact O-CG 3.39Å; Y700-Q704 PolarHBondContact O-N 2.61Å; Y700-Q704 PolarHBondContact OH-NE2 3.34Å; E701-Q704 PolarHBondContact O-N 3.08Å; Y702-Q704 VanDerWaalsContact C-N 3.31Å; Y702-Q704 PolarHBondContact O-N 2.78Å; Q704-S706 VanDerWaalsContact C-N 3.34Å; Q704-S706 PolarHBondContact O-N 3.1Å; Q704-K707 PolarHBondContact O-N 3Å; Q704-Q708 WeakPolarHBondContact O-CG 3.46Å; Q704-Q708 PolarHBondContact O-N 2.79Å
705	R	87.2	Confident	87.2	Confident	170 Å²	170	107.4 Å²	107.4	64%	0.642	51%	0.509	S	S	*	.	H	α-helix	trans	-63.4	-38.4	176	-72.2	179.9	-171.9	-177.8	6.8	112.5	E701 Y702 Q708 H709	E701-R705 WeakPolarHBondContact O-CG 3.46Å; E701-R705 PolarHBondContact O-N 3.37Å; Y702-R705 PolarHBondContact O-N 2.99Å; R705-Q708 PolarHBondContact O-N 3.08Å; R705-H709 WeakPolarHBondContact O-CB 3.25Å; R705-H709 PolarHBondContact O-N 2.74Å
706	S	85.1	Confident	87.5	Confident	60 Å²	60	108.5 Å²	108.5	42%	0.42	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-44	176.1	-173.3	0	0	0	0	111.6	Y702 Q704 H709 L710	Y702-S706 WeakPolarHBondContact O-CB 3.37Å; Y702-S706 PolarHBondContact O-N 3.39Å; Q704-S706 VanDerWaalsContact C-N 3.34Å; Q704-S706 PolarHBondContact O-N 3.1Å; S706-H709 PolarHBondContact O-N 3.07Å; S706-L710 PolarHBondContact O-N 3.27Å
707	K	88.8	Confident	87.7	Confident	133 Å²	133	105 Å²	105	58%	0.578	51%	0.507	S	S	*	.	H	α-helix	trans	-62.3	-43.7	173	-73	179	178	-171.2	0	112.7	N703 Q704 L710 L711	N703-K707 WeakPolarHBondContact O-CG 3.5Å; N703-K707 PolarHBondContact O-N 3.48Å; N703-K707 VanDerWaalsContact O-N 3.15Å; Q704-K707 PolarHBondContact O-N 3Å; K707-L710 PolarHBondContact O-N 3.08Å; K707-L711 WeakPolarHBondContact O-CG 3.38Å; K707-L711 PolarHBondContact O-N 3.24Å
708	Q	89	Confident	87.7	Confident	131 Å²	131	101.3 Å²	101.3	61%	0.612	50%	0.502	S	S	*	.	H	α-helix	trans	-63.3	-40.1	176.3	-73.2	177	-23.6	0	0	112.3	Q704 R705 S712	Q704-Q708 WeakPolarHBondContact O-CG 3.46Å; Q704-Q708 PolarHBondContact O-N 2.79Å; R705-Q708 PolarHBondContact O-N 3.08Å; Q708-S712 WeakPolarHBondContact O-CB 3.45Å; Q708-S712 PolarHBondContact O-N 2.9Å
709	H	87.4	Confident	88	Confident	137 Å²	137	102.1 Å²	102.1	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-65.9	-41.8	176.1	-174.1	-85	0	0	0	111.9	R705 S706 S712 H713	R705-H709 WeakPolarHBondContact O-CB 3.25Å; R705-H709 PolarHBondContact O-N 2.74Å; S706-H709 PolarHBondContact O-N 3.07Å; H709-S712 PolarHBondContact O-N 2.9Å; H709-H713 WeakPolarHBondContact O-CB 3.21Å; H709-H713 PolarHBondContact O-N 2.73Å
710	L	88.2	Confident	88.2	Confident	94 Å²	94	103 Å²	103	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-50	175.5	-178.2	61.7	0	0	0	111.5	S706 K707 S712 H713 E714	S706-L710 PolarHBondContact O-N 3.27Å; K707-L710 PolarHBondContact O-N 3.08Å; L710-S712 VanDerWaalsContact C-N 3.3Å; L710-S712 PolarHBondContact O-N 3.43Å; L710-H713 WeakPolarHBondContact O-CB 3.46Å; L710-H713 PolarHBondContact O-N 2.91Å; L710-H713 VanDerWaalsContact O-N 3.09Å; L710-E714 HydrophobicContact CD1-CG 4.48Å; L710-E714 WeakPolarHBondContact O-CG 3.47Å; L710-E714 PolarHBondContact O-N 3.34Å
711	L	90.1	Very high	88.4	Confident	99 Å²	99	100.3 Å²	100.3	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-59.7	-38.8	176.7	-70.7	167.7	0	0	0	112.3	K707 Q715	K707-L711 WeakPolarHBondContact O-CG 3.38Å; K707-L711 PolarHBondContact O-N 3.24Å; L711-Q715 WeakPolarHBondContact O-CB 3.36Å; L711-Q715 VanDerWaalsContact O-CG 3.29Å; L711-Q715 WeakPolarHBondContact O-CG 3.45Å; L711-Q715 PolarHBondContact O-N 2.93Å
712	S	88.6	Confident	88.6	Confident	75 Å²	75	103.7 Å²	103.7	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-35.4	175.9	-175.2	0	0	0	0	112.4	Q708 H709 L710 S716	Q708-S712 WeakPolarHBondContact O-CB 3.45Å; Q708-S712 PolarHBondContact O-N 2.9Å; H709-S712 PolarHBondContact O-N 2.9Å; L710-S712 VanDerWaalsContact C-N 3.3Å; L710-S712 PolarHBondContact O-N 3.43Å; S712-S716 WeakPolarHBondContact O-CB 3.3Å; S712-S716 PolarHBondContact O-N 3.09Å
713	H	89.5	Confident	88.9	Confident	97 Å²	97	100.6 Å²	100.6	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-69.8	-43.6	174.9	-174.9	-97.2	0	0	0	111.9	H709 L710 Q715 S716 L717	H709-H713 WeakPolarHBondContact O-CB 3.21Å; H709-H713 PolarHBondContact O-N 2.73Å; L710-H713 WeakPolarHBondContact O-CB 3.46Å; L710-H713 PolarHBondContact O-N 2.91Å; L710-H713 VanDerWaalsContact O-N 3.09Å; H713-Q715 PolarHBondContact O-N 3.09Å; H713-S716 WeakPolarHBondContact O-CB 3.36Å; H713-S716 PolarHBondContact O-N 3.36Å; H713-S716 VanDerWaalsContact O-N 3.12Å; H713-L717 WeakPolarHBondContact O-CG 3.45Å; H713-L717 PolarHBondContact O-N 3.39Å
714	E	88.7	Confident	89.1	Confident	99 Å²	99	103.7 Å²	103.7	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-45.1	173.7	-71.9	169.4	174.3	0	0	111.7	L710 S716 L717 A718	L710-E714 HydrophobicContact CD1-CG 4.48Å; L710-E714 WeakPolarHBondContact O-CG 3.47Å; L710-E714 PolarHBondContact O-N 3.34Å; E714-S716 VanDerWaalsContact C-N 3.3Å; E714-S716 PolarHBondContact O-N 2.96Å; E714-L717 PolarHBondContact O-N 3.03Å; E714-A718 WeakPolarHBondContact O-CB 3.44Å; E714-A718 PolarHBondContact O-N 3.27Å
715	Q	90.7	Very high	89.3	Confident	129 Å²	129	105 Å²	105	60%	0.603	52%	0.516	S	S	*	.	H	α-helix	trans	-64.1	-31.9	173.9	-72.9	176.6	9.1	0	0	113.4	L711 H713 K719	L711-Q715 WeakPolarHBondContact O-CB 3.36Å; L711-Q715 VanDerWaalsContact O-CG 3.29Å; L711-Q715 WeakPolarHBondContact O-CG 3.45Å; L711-Q715 PolarHBondContact O-N 2.93Å; H713-Q715 PolarHBondContact O-N 3.09Å; Q715-K719 WeakPolarHBondContact O-CG 3.5Å; Q715-K719 PolarHBondContact O-N 2.94Å
716	S	89.6	Confident	89.5	Confident	59 Å²	59	98.7 Å²	98.7	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-70.9	-44.4	175.4	-168.4	0	0	0	0	111.4	S712 H713 E714 K719 Q720	S712-S716 WeakPolarHBondContact O-CB 3.3Å; S712-S716 PolarHBondContact O-N 3.09Å; H713-S716 WeakPolarHBondContact O-CB 3.36Å; H713-S716 PolarHBondContact O-N 3.36Å; H713-S716 VanDerWaalsContact O-N 3.12Å; E714-S716 VanDerWaalsContact C-N 3.3Å; E714-S716 PolarHBondContact O-N 2.96Å; S716-K719 PolarHBondContact O-N 3.24Å; S716-Q720 WeakPolarHBondContact O-CG 3.39Å; S716-Q720 PolarHBondContact O-N 2.93Å
717	L	88.4	Confident	89.8	Confident	76 Å²	76	99.8 Å²	99.8	40%	0.398	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-43.4	174.6	-71.4	176.8	0	0	0	111.9	H713 E714 K719 Q720 I721	H713-L717 WeakPolarHBondContact O-CG 3.45Å; H713-L717 PolarHBondContact O-N 3.39Å; E714-L717 PolarHBondContact O-N 3.03Å; L717-K719 VanDerWaalsContact C-N 3.31Å; L717-K719 PolarHBondContact O-N 3.2Å; L717-Q720 PolarHBondContact O-N 3.05Å; L717-Q720 VanDerWaalsContact O-N 3.11Å; L717-I721 WeakPolarHBondContact O-CG1 3.05Å; L717-I721 PolarHBondContact O-N 3.46Å
718	A	89.9	Confident	89.8	Confident	57 Å²	57	97.7 Å²	97.7	47%	0.471	50%	0.499	S	S	.	.	H	α-helix	trans	-57.3	-44	177.4	0	0	0	0	0	112	E714 I721 E722	E714-A718 WeakPolarHBondContact O-CB 3.44Å; E714-A718 PolarHBondContact O-N 3.27Å; A718-I721 PolarHBondContact O-N 3.34Å; A718-E722 WeakPolarHBondContact O-CB 3.47Å; A718-E722 PolarHBondContact O-N 2.91Å
719	K	92.2	Very high	89.9	Confident	121 Å²	121	97.4 Å²	97.4	53%	0.526	50%	0.497	S	S	.	.	H	α-helix	trans	-67	-34.7	175.3	-72.4	177.9	178.4	-177.7	0	113.3	Q715 S716 L717 I723	Q715-K719 WeakPolarHBondContact O-CG 3.5Å; Q715-K719 PolarHBondContact O-N 2.94Å; S716-K719 PolarHBondContact O-N 3.24Å; L717-K719 VanDerWaalsContact C-N 3.31Å; L717-K719 PolarHBondContact O-N 3.2Å; K719-I723 WeakPolarHBondContact O-CD1 2.94Å; K719-I723 VanDerWaalsContact O-CG1 3.24Å; K719-I723 WeakPolarHBondContact O-CG1 3.41Å; K719-I723 PolarHBondContact O-N 3.35Å
720	Q	88.1	Confident	90.1	Very high	94 Å²	94	97.4 Å²	97.4	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-41.7	173.7	-71.9	-177.5	12.5	0	0	111.2	S716 L717 I723 Y724	S716-Q720 WeakPolarHBondContact O-CG 3.39Å; S716-Q720 PolarHBondContact O-N 2.93Å; L717-Q720 PolarHBondContact O-N 3.05Å; L717-Q720 VanDerWaalsContact O-N 3.11Å; Q720-I723 PolarHBondContact O-N 3.49Å; Q720-Y724 HydrophobicContact CB-CE2 4.36Å; Q720-Y724 WeakPolarHBondContact O-CD2 3.42Å; Q720-Y724 PolarHBondContact O-N 2.95Å
721	I	89.8	Confident	90.1	Very high	94 Å²	94	96.4 Å²	96.4	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-60.6	-49.1	175.1	-67.2	163	0	0	0	110.4	L717 A718 I723 Y724 E725	L717-I721 WeakPolarHBondContact O-CG1 3.05Å; L717-I721 PolarHBondContact O-N 3.46Å; A718-I721 PolarHBondContact O-N 3.34Å; I721-I723 VanDerWaalsContact C-N 3.29Å; I721-I723 PolarHBondContact O-N 2.88Å; I721-Y724 PolarHBondContact O-N 3.48Å; I721-E725 HydrophobicContact CG2-CG 4.23Å; I721-E725 WeakPolarHBondContact O-CG 3.42Å; I721-E725 PolarHBondContact O-N 3.3Å
722	E	91.5	Very high	90	Very high	133 Å²	133	96.9 Å²	96.9	62%	0.621	49%	0.493	S	S	*	.	H	α-helix	trans	-53.7	-43.2	175.3	-177.2	-179.9	-160.7	0	0	112.4	A718 G726	A718-E722 WeakPolarHBondContact O-CB 3.47Å; A718-E722 PolarHBondContact O-N 2.91Å; E722-G726 PolarHBondContact O-N 3.02Å
723	I	90.6	Very high	90	Very high	91 Å²	91	98.6 Å²	98.6	47%	0.467	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-39.7	175.8	-69.2	164.7	0	0	0	111.8	K719 Q720 I721 N727	K719-I723 WeakPolarHBondContact O-CD1 2.94Å; K719-I723 VanDerWaalsContact O-CG1 3.24Å; K719-I723 WeakPolarHBondContact O-CG1 3.41Å; K719-I723 PolarHBondContact O-N 3.35Å; Q720-I723 PolarHBondContact O-N 3.49Å; I721-I723 VanDerWaalsContact C-N 3.29Å; I721-I723 PolarHBondContact O-N 2.88Å; I723-N727 WeakPolarHBondContact O-CB 3.29Å; I723-N727 PolarHBondContact O-N 3Å; I723-N727 VanDerWaalsContact O-N 3.09Å; I723-N727 PolarHBondContact O-ND2 3.3Å
724	Y	90.7	Very high	89.9	Confident	150 Å²	150	99.1 Å²	99.1	59%	0.588	50%	0.497	S	S	*	.	H	α-helix	trans	-69	-42.1	176.6	-74.7	-59.7	0	0	0	112	Q720 I721 N727 I728	Q720-Y724 HydrophobicContact CB-CE2 4.36Å; Q720-Y724 WeakPolarHBondContact O-CD2 3.42Å; Q720-Y724 PolarHBondContact O-N 2.95Å; I721-Y724 PolarHBondContact O-N 3.48Å; Y724-N727 PolarHBondContact O-N 3.23Å; Y724-I728 VanDerWaalsContact O-CG1 3.29Å; Y724-I728 WeakPolarHBondContact O-CG1 3.33Å; Y724-I728 PolarHBondContact O-N 2.91Å
725	E	92.1	Very high	89.7	Confident	107 Å²	107	99.3 Å²	99.3	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-45.5	175.8	-72.1	179.4	174.7	0	0	111.7	I721 N727 I728 Q729	I721-E725 HydrophobicContact CG2-CG 4.23Å; I721-E725 WeakPolarHBondContact O-CG 3.42Å; I721-E725 PolarHBondContact O-N 3.3Å; E725-N727 VanDerWaalsContact C-N 3.31Å; E725-N727 PolarHBondContact O-N 2.99Å; E725-I728 PolarHBondContact O-N 3.39Å; E725-Q729 WeakPolarHBondContact O-CG 3.47Å; E725-Q729 PolarHBondContact O-N 3.15Å
726	G	91.1	Very high	89.4	Confident	36 Å²	36	96.3 Å²	96.3	37%	0.371	49%	0.493	S	S	.	.	H	α-helix	trans	-62.5	-35.1	174.8	0	0	0	0	0	113.4	E722 K730	E722-G726 PolarHBondContact O-N 3.02Å; G726-K730 WeakPolarHBondContact O-CB 3.24Å; G726-K730 PolarHBondContact O-N 3.25Å; G726-K730 VanDerWaalsContact O-N 3.11Å
727	N	91.1	Very high	89	Confident	83 Å²	83	97.7 Å²	97.7	44%	0.444	50%	0.496	S	S	.	.	H	α-helix	trans	-70.5	-38.9	173	-79.7	-54	0	0	0	112.4	I723 Y724 E725 K730 T731	I723-N727 WeakPolarHBondContact O-CB 3.29Å; I723-N727 PolarHBondContact O-N 3Å; I723-N727 VanDerWaalsContact O-N 3.09Å; I723-N727 PolarHBondContact O-ND2 3.3Å; Y724-N727 PolarHBondContact O-N 3.23Å; E725-N727 VanDerWaalsContact C-N 3.31Å; E725-N727 PolarHBondContact O-N 2.99Å; N727-K730 PolarHBondContact O-N 3.28Å; N727-T731 PolarHBondContact O-N 3.49Å; N727-T731 PolarHBondContact O-OG1 3.25Å
728	I	89	Confident	88.6	Confident	90 Å²	90	99.8 Å²	99.8	46%	0.462	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-53.8	174.7	-71.3	162.4	0	0	0	109.7	Y724 E725 K730 T731 E732	Y724-I728 VanDerWaalsContact O-CG1 3.29Å; Y724-I728 WeakPolarHBondContact O-CG1 3.33Å; Y724-I728 PolarHBondContact O-N 2.91Å; E725-I728 PolarHBondContact O-N 3.39Å; I728-K730 VanDerWaalsContact C-N 3.25Å; I728-K730 PolarHBondContact O-N 2.87Å; I728-T731 CarbonylContact O-C 3.55Å; I728-T731 WeakPolarHBondContact O-CA 3.16Å; I728-T731 PolarHBondContact O-N 2.92Å; I728-T731 PolarHBondContact O-OG1 3.33Å; I728-E732 HydrophobicContact CG2-CG 4.25Å; I728-E732 WeakPolarHBondContact O-CG 3.46Å; I728-E732 PolarHBondContact O-N 2.9Å
729	Q	91	Very high	88	Confident	124 Å²	124	101.6 Å²	101.6	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-55	-40.7	177.6	-69.3	172.4	19	0	0	112.2	E725 T731 E732 Q733	E725-Q729 WeakPolarHBondContact O-CG 3.47Å; E725-Q729 PolarHBondContact O-N 3.15Å; Q729-T731 PolarHBondContact O-N 3.46Å; Q729-E732 PolarHBondContact O-N 2.9Å; Q729-Q733 PolarHBondContact O-N 2.87Å
730	K	90.9	Very high	87.3	Confident	137 Å²	137	100.1 Å²	100.1	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-39	175.1	-173.5	177.2	179.8	-179.3	0	112.3	G726 N727 I728 M734	G726-K730 WeakPolarHBondContact O-CB 3.24Å; G726-K730 PolarHBondContact O-N 3.25Å; G726-K730 VanDerWaalsContact O-N 3.11Å; N727-K730 PolarHBondContact O-N 3.28Å; I728-K730 VanDerWaalsContact C-N 3.25Å; I728-K730 PolarHBondContact O-N 2.87Å; K730-M734 WeakPolarHBondContact O-CG 3.3Å; K730-M734 PolarHBondContact O-N 2.8Å; K730-M734 VanDerWaalsContact O-N 3.1Å
731	T	87.5	Confident	86	Confident	73 Å²	73	98.5 Å²	98.5	45%	0.448	52%	0.52	S	S	.	.	H	α-helix	trans	-72	-35.9	173.6	57.9	0	0	0	0	113.2	N727 I728 Q729 M734 I735	N727-T731 PolarHBondContact O-N 3.49Å; N727-T731 PolarHBondContact O-OG1 3.25Å; I728-T731 CarbonylContact O-C 3.55Å; I728-T731 WeakPolarHBondContact O-CA 3.16Å; I728-T731 PolarHBondContact O-N 2.92Å; I728-T731 PolarHBondContact O-OG1 3.33Å; Q729-T731 PolarHBondContact O-N 3.46Å; T731-M734 PolarHBondContact O-N 2.92Å; T731-I735 WeakPolarHBondContact O-CB 3.42Å; T731-I735 WeakPolarHBondContact O-CD1 3.28Å; T731-I735 VanDerWaalsContact O-CG1 3.25Å; T731-I735 WeakPolarHBondContact O-CG1 3.14Å; T731-I735 PolarHBondContact O-N 3Å
732	E	89.3	Confident	84.3	Confident	110 Å²	110	102.9 Å²	102.9	51%	0.514	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-40.5	174.5	-69.4	177.2	143	0	0	111.5	I728 Q729 I735 S736	I728-E732 HydrophobicContact CG2-CG 4.25Å; I728-E732 WeakPolarHBondContact O-CG 3.46Å; I728-E732 PolarHBondContact O-N 2.9Å; Q729-E732 PolarHBondContact O-N 2.9Å; E732-I735 PolarHBondContact O-N 2.98Å; E732-S736 WeakPolarHBondContact O-CB 3.42Å; E732-S736 PolarHBondContact O-N 2.78Å; E732-S736 PolarHBondContact O-OG 2.72Å
733	Q	89.3	Confident	82.5	Confident	110 Å²	110	99.8 Å²	99.8	51%	0.514	54%	0.539	S	S	.	.	H	α-helix	trans	-61.5	-48.3	171	-174.7	62.8	53	0	0	111.1	Q729 I735 S736 D737	Q729-Q733 PolarHBondContact O-N 2.87Å; Q733-I735 VanDerWaalsContact C-N 3.31Å; Q733-I735 PolarHBondContact O-N 3.48Å; Q733-S736 WeakPolarHBondContact O-CB 3.17Å; Q733-S736 PolarHBondContact O-N 3.12Å; Q733-S736 VanDerWaalsContact O-N 3.1Å; Q733-D737 PolarHBondContact NE2-OD1 3.24Å; Q733-D737 PolarHBondContact O-N 3.38Å
734	M	85.6	Confident	80.7	Confident	109 Å²	109	105.7 Å²	105.7	54%	0.537	56%	0.556	S	S	.	*	H	α-helix	trans	-61.1	-37.4	177.5	-73.4	175.9	62.1	0	0	112.9	K730 T731 L738	K730-M734 WeakPolarHBondContact O-CG 3.3Å; K730-M734 PolarHBondContact O-N 2.8Å; K730-M734 VanDerWaalsContact O-N 3.1Å; T731-M734 PolarHBondContact O-N 2.92Å; M734-L738 WeakPolarHBondContact O-CB 3.49Å; M734-L738 WeakPolarHBondContact O-CD1 3.46Å; M734-L738 WeakPolarHBondContact O-CG 3.24Å; M734-L738 PolarHBondContact O-N 3.16Å
735	I	85.1	Confident	78	Confident	103 Å²	103	107.6 Å²	107.6	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-67.4	-39.8	174.5	-70.6	163.2	0	0	0	110.6	T731 E732 Q733 T739	T731-I735 WeakPolarHBondContact O-CB 3.42Å; T731-I735 WeakPolarHBondContact O-CD1 3.28Å; T731-I735 VanDerWaalsContact O-CG1 3.25Å; T731-I735 WeakPolarHBondContact O-CG1 3.14Å; T731-I735 PolarHBondContact O-N 3Å; E732-I735 PolarHBondContact O-N 2.98Å; Q733-I735 VanDerWaalsContact C-N 3.31Å; Q733-I735 PolarHBondContact O-N 3.48Å; I735-T739 VanDerWaalsContact O-CB 3.29Å; I735-T739 WeakPolarHBondContact O-CB 3.39Å; I735-T739 PolarHBondContact O-N 2.88Å; I735-T739 PolarHBondContact O-OG1 2.84Å
736	S	84.4	Confident	75.3	Confident	66 Å²	66	111.1 Å²	111.1	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-64.7	-45	176.1	-58.9	0	0	0	0	111.6	E732 Q733 T739 S740	E732-S736 WeakPolarHBondContact O-CB 3.42Å; E732-S736 PolarHBondContact O-N 2.78Å; E732-S736 PolarHBondContact O-OG 2.72Å; Q733-S736 WeakPolarHBondContact O-CB 3.17Å; Q733-S736 PolarHBondContact O-N 3.12Å; Q733-S736 VanDerWaalsContact O-N 3.1Å; S736-T739 PolarHBondContact O-N 3.03Å; S736-S740 VanDerWaalsContact O-CB 3.31Å; S736-S740 WeakPolarHBondContact O-CB 3.44Å; S736-S740 PolarHBondContact O-N 3.3Å
737	D	82.2	Confident	72.9	Confident	88 Å²	88	115 Å²	115	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-62.5	-45.3	176.5	-66.1	-21.5	0	0	0	111.3	Q733 T739 S740 A741	Q733-D737 PolarHBondContact NE2-OD1 3.24Å; Q733-D737 PolarHBondContact O-N 3.38Å; D737-T739 PolarHBondContact O-N 3.19Å; D737-S740 PolarHBondContact O-N 2.94Å; D737-A741 VanDerWaalsContact O-CB 3.28Å; D737-A741 WeakPolarHBondContact O-CB 3.47Å; D737-A741 PolarHBondContact O-N 3.36Å
738	L	79.5	Confident	70.2	Confident	120 Å²	120	119.3 Å²	119.3	63%	0.628	62%	0.62	S	S	*	*	H	α-helix	trans	-64.3	-38.2	175.6	-74.7	168.6	0	0	0	112.5	M734 K742	M734-L738 WeakPolarHBondContact O-CB 3.49Å; M734-L738 WeakPolarHBondContact O-CD1 3.46Å; M734-L738 WeakPolarHBondContact O-CG 3.24Å; M734-L738 PolarHBondContact O-N 3.16Å; L738-K742 WeakPolarHBondContact O-CB 3.4Å; L738-K742 PolarHBondContact O-N 3.48Å
739	T	78.1	Confident	68	Low	95 Å²	95	120.6 Å²	120.6	58%	0.583	64%	0.637	S	S	*	*	H	α-helix	trans	-69.4	-40.1	178	-57.5	0	0	0	0	111.1	I735 S736 D737 K742	I735-T739 VanDerWaalsContact O-CB 3.29Å; I735-T739 WeakPolarHBondContact O-CB 3.39Å; I735-T739 PolarHBondContact O-N 2.88Å; I735-T739 PolarHBondContact O-OG1 2.84Å; S736-T739 PolarHBondContact O-N 3.03Å; D737-T739 PolarHBondContact O-N 3.19Å; T739-K742 PolarHBondContact O-N 2.74Å
740	S	76.5	Confident	65.2	Low	90 Å²	90	120.5 Å²	120.5	63%	0.629	65%	0.65	S	S	*	*	H	α-helix	trans	-64.5	-45.8	173.3	-174.7	0	0	0	0	112	S736 D737 K742 G743	S736-S740 VanDerWaalsContact O-CB 3.31Å; S736-S740 WeakPolarHBondContact O-CB 3.44Å; S736-S740 PolarHBondContact O-N 3.3Å; D737-S740 PolarHBondContact O-N 2.94Å; S740-K742 VanDerWaalsContact C-N 3.32Å; S740-K742 PolarHBondContact O-N 3.23Å; S740-G743 PolarHBondContact O-N 2.77Å; S740-G743 VanDerWaalsContact O-N 3.1Å
741	A	60.5	Low	62.9	Low	60 Å²	60	120.1 Å²	120.1	50%	0.496	66%	0.661	S	S	.	*	H	α-helix	trans	-62	-37.5	176.7	0	0	0	0	0	112.4	D737 G743 R744	D737-A741 VanDerWaalsContact O-CB 3.28Å; D737-A741 WeakPolarHBondContact O-CB 3.47Å; D737-A741 PolarHBondContact O-N 3.36Å; A741-G743 PolarHBondContact O-N 3.11Å; A741-G743 VanDerWaalsContact O-N 3.14Å; A741-R744 PolarHBondContact O-N 2.95Å
742	K	54.6	Low	60.3	Low	186 Å²	186	127.2 Å²	127.2	81%	0.809	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-11.1	176.8	-164.1	169.9	-177.9	179.6	0	113.8	L738 T739 S740 R744	L738-K742 WeakPolarHBondContact O-CB 3.4Å; L738-K742 PolarHBondContact O-N 3.48Å; T739-K742 PolarHBondContact O-N 2.74Å; S740-K742 VanDerWaalsContact C-N 3.32Å; S740-K742 PolarHBondContact O-N 3.23Å; K742-R744 PolarHBondContact O-N 2.81Å
743	G	54.3	Low	57.6	Low	68 Å²	68	129.4 Å²	129.4	70%	0.701	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	2.6	166.4	0	0	0	0	0	114.8	S740 A741	S740-G743 PolarHBondContact O-N 2.77Å; S740-G743 VanDerWaalsContact O-N 3.1Å; A741-G743 PolarHBondContact O-N 3.11Å; A741-G743 VanDerWaalsContact O-N 3.14Å
744	R	51.5	Low	55.2	Low	214 Å²	214	131.1 Å²	131.1	81%	0.808	70%	0.704	S	S	*	*	S	Bend	trans	-130	111	174.6	-57.4	-174.7	-172.1	-161.8	2	109.7	A741 K742	A741-R744 PolarHBondContact O-N 2.95Å; K742-R744 PolarHBondContact O-N 2.81Å
745	E	34.7	Very low	52.7	Low	190 Å²	190	131.4 Å²	131.4	89%	0.888	71%	0.713	S	S	*	*			trans	-69.2	130.6	172.4	-63	179.3	108.3	0	0	110.3
746	E	35.5	Very low	50.1	Low	182 Å²	182	132 Å²	132	85%	0.85	73%	0.726	S	S	*	*				176.1	153.2	111	-97.1	-168.2	156.6	0	0	114.4
747	V	39.5	Very low	47.9	Very low	116 Å²	116	134.2 Å²	134.2	70%	0.703	74%	0.739	S	S	*	*			trans	62.2	101.5	156.3	179	0	0	0	0	120.6
748	H	36	Very low	45.4	Very low	174 Å²	174	141.1 Å²	141.1	81%	0.806	76%	0.758	S	S	*	*			trans	22.3	121.7	138.3	-48.9	-64.9	0	0	0	122.3
749	S	43.2	Very low	43.1	Very low	118 Å²	118	140.3 Å²	140.3	83%	0.825	76%	0.763	S	S	*	*				174.1	148.2	101.8	48.2	0	0	0	0	112.6
750	S	30.7	Very low	41.1	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-102.1	125.4	-176.4	-56.8	0	0	0	0	112.8
751	P	43.1	Very low	39	Very low	129 Å²	129	142.1 Å²	142.1	84%	0.838	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-68.7	146.4	168.3	-20.1	33.8	0	0	0	112.6
752	R	32.7	Very low	38.1	Very low	223 Å²	223	145.2 Å²	145.2	84%	0.842	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-97.5	125.8	-171.8	-174.7	-178.4	-170.4	165.3	1.4	111	I754	R752-I754 HydrophobicContact CG-CG1 4.43Å; R752-I754 PolarHBondContact O-N 2.98Å
753	I	32.8	Very low	37.2	Very low	156 Å²	156	142.5 Å²	142.5	80%	0.8	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.5	174.1	-58.5	172.6	0	0	0	109.5	T755	I753-T755 HydrophobicContact CG2-CG2 4.16Å
754	I	39.2	Very low	36.2	Very low	145 Å²	145	143.2 Å²	143.2	74%	0.744	80%	0.803	S	S	*	*			trans	-137.4	137.4	166.2	-59.5	-177.7	0	0	0	107.1	R752	R752-I754 HydrophobicContact CG-CG1 4.43Å; R752-I754 PolarHBondContact O-N 2.98Å
755	T	32.6	Very low	35.6	Very low	116 Å²	116	144.9 Å²	144.9	71%	0.712	81%	0.81	S	S	*	*			trans	-115.6	140.8	-163.6	47.8	0	0	0	0	114.1	I753	I753-T755 HydrophobicContact CG2-CG2 4.16Å
756	S	30.4	Very low	35.6	Very low	115 Å²	115	144.6 Å²	144.6	80%	0.804	81%	0.808	S	S	*	*			trans	72.7	172.3	152.5	-128.3	0	0	0	0	116.6
757	P	38	Very low	35.8	Very low	113 Å²	113	140.4 Å²	140.4	73%	0.734	80%	0.797	S	S	*	*				-137.1	-162.1	-94.4	43.6	-26.1	0	0	0	114.7
758	R	31.1	Very low	35.6	Very low	233 Å²	233	141.9 Å²	141.9	88%	0.879	80%	0.801	S	S	*	*			trans	99.2	115	155.7	-121.7	-179	-170.7	178.5	2	119
759	S	30.6	Very low	35.5	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	80%	0.8	S	S	*	*			trans	51.6	109.9	139.5	61.4	0	0	0	0	121.6
760	S	36.4	Very low	34.9	Very low	126 Å²	126	141.6 Å²	141.6	88%	0.881	80%	0.8	S	S	*	*				-172.5	142.4	115.6	59.8	0	0	0	0	112.6
761	A	32.8	Very low	35.1	Very low	97 Å²	97	144 Å²	144	80%	0.802	80%	0.801	S	S	*	*			trans	-150.6	177.8	168	0	0	0	0	0	107.8
762	P	41.5	Very low	34.5	Very low	125 Å²	125	146.7 Å²	146.7	81%	0.812	80%	0.803	S	S	*	*			cis	-125.7	-177.8	-17.4	38.7	-23.5	0	0	0	112.4
763	S	33.9	Very low	34.5	Very low	128 Å²	128	144.8 Å²	144.8	90%	0.895	80%	0.803	S	S	*	*			trans	-160.3	146.4	146.4	-158.4	0	0	0	0	114.3
764	A	35.1	Very low	34.3	Very low	83 Å²	83	142.9 Å²	142.9	69%	0.686	80%	0.801	S	S	*	*			trans	-72.3	152.8	-166.1	0	0	0	0	0	117.5
765	R	38.4	Very low	33.9	Very low	250 Å²	250	145.4 Å²	145.4	94%	0.943	81%	0.807	S	S	*	*				-174.6	151.7	105.8	-93.8	162.9	-170.5	-166.2	1.9	112.9
766	Q	35.1	Very low	33.9	Very low	183 Å²	183	145.4 Å²	145.4	86%	0.855	81%	0.807	S	S	*	*			trans	-113.7	179.9	179.6	-95.7	-171.8	-33.7	0	0	109.9
767	P	38.9	Very low	33.9	Very low	94 Å²	94	148.8 Å²	148.8	61%	0.61	81%	0.81	S	S	*	*			cis	-134.1	179.5	-38.5	35.5	-17.9	0	0	0	112.4
768	D	34.2	Very low	33.6	Very low	148 Å²	148	150.5 Å²	150.5	79%	0.791	81%	0.813	S	S	*	*				159.6	161.7	119.1	-92.4	-24	0	0	0	115.3
769	V	34.2	Very low	33.9	Very low	129 Å²	129	145.2 Å²	145.2	78%	0.782	81%	0.807	S	S	*	*			trans	69.4	91.4	170.6	-161.2	0	0	0	0	118.9
770	L	31.1	Very low	33.9	Very low	156 Å²	156	147 Å²	147	82%	0.817	80%	0.804	S	S	*	*			trans	15.4	123	131.5	-66	160.9	0	0	0	119.9
771	I	34.7	Very low	33.7	Very low	171 Å²	171	147.5 Å²	147.5	88%	0.877	80%	0.795	S	S	*	*				-173.3	155.8	118.3	-95.3	157	0	0	0	109.6
772	E	30.2	Very low	33.6	Very low	186 Å²	186	150.1 Å²	150.1	87%	0.869	80%	0.795	S	S	*	*			trans	-77.2	131.8	-164.5	-57.2	164.8	112.2	0	0	115.3
773	Q	34.2	Very low	33.3	Very low	184 Å²	184	149.5 Å²	149.5	86%	0.86	79%	0.789	S	S	*	*			trans	-149.3	146.2	146.2	-78.5	-153	-2.6	0	0	111.5
774	P	28.5	Very low	33.2	Very low	115 Å²	115	151 Å²	151	75%	0.747	79%	0.786	S	S	*	*			trans	-95.4	131.2	-172.8	35.1	-34.1	0	0	0	114.8
775	K	29.8	Very low	33.1	Very low	198 Å²	198	153.7 Å²	153.7	86%	0.861	79%	0.789	S	S	*	*			trans	176.8	139.1	163.1	-97.2	141.7	-170.2	171.8	0	107.4
776	T	31.9	Very low	33	Very low	117 Å²	117	149.2 Å²	149.2	72%	0.718	78%	0.783	S	S	*	*			cis	-132.8	154.1	0.3	41.6	0	0	0	0	110.3
777	Q	31.6	Very low	32.8	Very low	186 Å²	186	149.1 Å²	149.1	87%	0.869	78%	0.782	S	S	*	*			trans	-89.7	117.3	165.1	-77.5	177.9	-62.5	0	0	110.1
778	D	31.6	Very low	32.7	Very low	148 Å²	148	151.5 Å²	151.5	79%	0.791	79%	0.79	S	S	*	*			trans	-112	115.6	155.3	-77.2	-52.8	0	0	0	108
779	T	36.8	Very low	32.5	Very low	123 Å²	123	151.5 Å²	151.5	76%	0.755	79%	0.79	S	S	*	*			trans	-92.7	106.6	170.6	48.1	0	0	0	0	107.8
780	H	30.5	Very low	32.6	Very low	141 Å²	141	152.3 Å²	152.3	65%	0.653	80%	0.795	S	S	*	*				58.5	101	57.4	-162.5	-66.3	0	0	0	113.7
781	I	33.5	Very low	32.4	Very low	136 Å²	136	149.8 Å²	149.8	70%	0.697	79%	0.79	S	S	*	*				-148.9	96.5	128.9	-85	137.3	0	0	0	106
782	D	30.2	Very low	32.3	Very low	151 Å²	151	150.2 Å²	150.2	81%	0.807	79%	0.791	S	S	*	*			trans	-121.3	117.3	156.2	-109.4	-36.7	0	0	0	105.2
783	V	34.8	Very low	32.2	Very low	113 Å²	113	146.4 Å²	146.4	69%	0.685	78%	0.784	S	S	*	*			trans	-140.5	85.7	177.9	-171.9	0	0	0	0	110.3
784	L	31.6	Very low	32.3	Very low	158 Å²	158	143.5 Å²	143.5	83%	0.827	78%	0.784	S	S	*	*			trans	-102.5	139	148	-74.5	172.9	0	0	0	108
785	N	32.6	Very low	32.4	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	78%	0.782	S	S	*	*			trans	65.8	121.8	175.4	-44.9	-35.3	0	0	0	116.3
786	L	36.1	Very low	32.8	Very low	156 Å²	156	138.4 Å²	138.4	82%	0.817	78%	0.784	S	S	*	*				-157.4	115.4	118.5	-137.2	70.3	0	0	0	110.7
787	E	31.6	Very low	32.8	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	78%	0.783	S	S	*	*			trans	-75.8	143.3	159	-62.4	173.2	115.8	0	0	108.4
788	N	37.7	Very low	33	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	78%	0.782	S	S	*	*			trans	-155.9	126.7	158.1	-106.2	-41.9	0	0	0	111.2
789	N	29.8	Very low	33	Very low	148 Å²	148	133.2 Å²	133.2	79%	0.791	77%	0.772	S	S	*	*			trans	-94.2	135.3	179.9	-63.7	-79.2	0	0	0	110.3
790	V	35.7	Very low	32.9	Very low	145 Å²	145	135.9 Å²	135.9	88%	0.879	78%	0.775	S	S	*	*			trans	-137.2	123.5	158.9	-177	0	0	0	0	108.8
791	S	27.6	Very low	33.2	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	78%	0.781	S	S	*	*			trans	-103	126.9	-175.2	-55.1	0	0	0	0	112.2
792	M	32.8	Very low	33.3	Very low	181 Å²	181	136.4 Å²	136.4	89%	0.892	79%	0.787	S	S	*	*			trans	-147.3	117.9	151.4	-71.9	-61.6	-175.9	0	0	106.5
793	S	27.5	Very low	33.6	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	79%	0.789	S	S	*	*			cis	81.8	73.6	42.3	-171.2	0	0	0	0	114.9
794	S	35.7	Very low	33.6	Very low	123 Å²	123	134.2 Å²	134.2	86%	0.86	79%	0.786	S	S	*	*				178.3	143.6	126.6	35.7	0	0	0	0	112.5
795	G	31.9	Very low	33.9	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	79%	0.79	S	S	*	*			trans	-95	-175.4	162.9	0	0	0	0	0	111.3
796	P	37.5	Very low	34	Very low	139 Å²	139	135.4 Å²	135.4	90%	0.903	79%	0.787	S	S	*	*				-142	-154.4	73.9	40.3	-23	0	0	0	114.8
797	S	31.4	Very low	34	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	79%	0.788	S	S	*	*			trans	-118	-166.8	-155.2	54.8	0	0	0	0	114.8
798	L	35.6	Very low	34.2	Very low	159 Å²	159	131 Å²	131	83%	0.832	78%	0.781	S	S	*	*			trans	92.4	149.3	172.5	-54	169.3	0	0	0	115.2
799	S	31.8	Very low	34	Very low	83 Å²	83	132.9 Å²	132.9	58%	0.58	79%	0.785	S	S	*	*			cis	176.6	177.5	-45.1	45.7	0	0	0	0	107.9
800	E	35.7	Very low	34.1	Very low	178 Å²	178	129.8 Å²	129.8	83%	0.832	78%	0.775	S	S	*	*			trans	72.6	148.1	171	-62.7	172	-157.2	0	0	115.7
801	S	36.9	Very low	34.2	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	77%	0.767	S	S	*	*			cis	-155.1	-176.4	-8.8	41.3	0	0	0	0	111.7
802	E	34	Very low	34.5	Very low	180 Å²	180	132.2 Å²	132.2	84%	0.841	77%	0.77	S	S	*	*			trans	-93	163.9	-162.3	-55.7	144.3	119.9	0	0	115.9
803	A	37.4	Very low	34.6	Very low	102 Å²	102	131.7 Å²	131.7	84%	0.843	77%	0.765	S	S	*	*			trans	-155.3	129.2	145.4	0	0	0	0	0	111.1
804	N	34.9	Very low	34.7	Very low	115 Å²	115	138.3 Å²	138.3	62%	0.615	77%	0.774	S	S	*	*			trans	-87.1	167.5	-179.8	-81.3	2.8	0	0	0	113.3	E806	N804-E806 HydrophobicContact CB-CG 4.5Å; N804-E806 PolarHBondContact ND2-OE2 3.46Å
805	I	38	Very low	34.7	Very low	177 Å²	177	139.9 Å²	139.9	91%	0.908	77%	0.771	S	S	*	*				-155.8	149.9	118.9	-96.1	150	0	0	0	108.3
806	E	34.6	Very low	34.8	Very low	148 Å²	148	141.4 Å²	141.4	69%	0.692	77%	0.771	S	S	*	*			trans	-119.1	-158.9	-158.6	-64.2	174.5	83.5	0	0	113.6	N804	N804-E806 HydrophobicContact CB-CG 4.5Å; N804-E806 PolarHBondContact ND2-OE2 3.46Å
807	D	36.2	Very low	34.3	Very low	160 Å²	160	143.7 Å²	143.7	86%	0.856	77%	0.77	S	S	*	*			trans	77.5	130.8	172.3	-63.8	-25.3	0	0	0	119.1
808	A	36.1	Very low	34.2	Very low	83 Å²	83	146.9 Å²	146.9	69%	0.686	78%	0.779	S	S	*	*			cis	-155.4	141	-9.4	0	0	0	0	0	114
809	Q	33.1	Very low	33.9	Very low	184 Å²	184	144.3 Å²	144.3	86%	0.86	78%	0.78	S	S	*	*				14.5	150.3	128.3	-68.8	177.3	13.6	0	0	120.6
810	S	32.4	Very low	33.7	Very low	84 Å²	84	145.6 Å²	145.6	59%	0.587	80%	0.796	S	S	*	*			cis	-170.3	176.7	-1.4	44.2	0	0	0	0	113.2
811	D	36.9	Very low	33.4	Very low	133 Å²	133	141 Å²	141	71%	0.711	79%	0.788	S	S	*	*			trans	107.5	126.4	138.7	-71	-43.6	0	0	0	124.1
812	H	34.9	Very low	33.1	Very low	166 Å²	166	143.4 Å²	143.4	77%	0.769	79%	0.793	S	S	*	*			trans	57.9	142.3	164.5	-75.2	-93.1	0	0	0	119.6
813	E	35.1	Very low	33	Very low	170 Å²	170	143 Å²	143	79%	0.794	80%	0.795	S	S	*	*			cis	-140.6	152.4	16.1	-159	164.6	-139	0	0	113.3
814	R	29.6	Very low	32.7	Very low	243 Å²	243	144 Å²	144	92%	0.917	79%	0.791	S	S	*	*			trans	-130.6	113.6	-176.8	-94.8	-179.7	158.7	-172.9	-4	111.7
815	I	35	Very low	32.3	Very low	156 Å²	156	145.2 Å²	145.2	80%	0.8	80%	0.797	S	S	*	*			trans	-153.5	130.3	159.8	-52.2	-179.7	0	0	0	108
816	S	33.9	Very low	31.9	Very low	100 Å²	100	143.5 Å²	143.5	70%	0.699	80%	0.795	S	S	*	*			cis	-163.7	133.7	-22.4	55.2	0	0	0	0	109
817	E	27.5	Very low	31.8	Very low	188 Å²	188	140.9 Å²	140.9	88%	0.879	80%	0.799	S	S	*	*			trans	-78.6	127.8	165.3	-67.1	175.2	107.1	0	0	110
818	N	28.1	Very low	31.3	Very low	167 Å²	167	143.4 Å²	143.4	89%	0.893	80%	0.802	S	S	*	*			trans	-175	77.6	160	-101.5	-33.7	0	0	0	112.1
819	A	29.5	Very low	30.9	Very low	104 Å²	104	143.4 Å²	143.4	86%	0.86	80%	0.802	S	S	*	*			trans	-152.8	11.3	171.4	0	0	0	0	0	114.5
820	A	28.9	Very low	31	Very low	111 Å²	111	139 Å²	139	92%	0.917	80%	0.797	S	S	*	*	S	Bend	trans	-113.4	37.3	-169	0	0	0	0	0	113.8
821	A	28.9	Very low	30.9	Very low	81 Å²	81	143 Å²	143	67%	0.669	81%	0.811	S	S	*	*			trans	-151	155.4	170.6	0	0	0	0	0	110.1
822	N	30.6	Very low	30.4	Very low	160 Å²	160	140.4 Å²	140.4	86%	0.856	81%	0.808	S	S	*	*			trans	78	72.6	-179.1	-52.5	-26.8	0	0	0	117.1
823	L	32.1	Very low	30.1	Very low	170 Å²	170	138.5 Å²	138.5	89%	0.89	81%	0.814	S	S	*	*			trans	-156.3	65	142.3	-115.4	168.3	0	0	0	111.2
824	V	29.6	Very low	29.9	Very low	123 Å²	123	135.1 Å²	135.1	75%	0.745	81%	0.809	S	S	*	*			trans	-105.5	153.3	164.6	178.1	0	0	0	0	107.3
825	D	28	Very low	29.9	Very low	142 Å²	142	128 Å²	128	76%	0.759	80%	0.796	S	S	*	*			trans	62.8	76.8	173.8	-63.6	-34.6	0	0	0	119.1
826	V	29.4	Very low	29.8	Very low	141 Å²	141	126.7 Å²	126.7	86%	0.855	79%	0.791	S	S	*	*	S	Bend	trans	-143.8	155.2	137	175.6	0	0	0	0	108.9
827	A	31.4	Very low	29.6	Very low	93 Å²	93	128.2 Å²	128.2	77%	0.769	80%	0.796	S	S	*	*			trans	75.5	24.6	168.2	0	0	0	0	0	119.3	A829	A827-A829 PolarHBondContact O-N 3.2Å
828	K	26.9	Very low	29.6	Very low	212 Å²	212	123.5 Å²	123.5	92%	0.922	78%	0.784	S	S	*	*			trans	-79.3	60.4	160.6	-169	-175.5	176.6	-179.3	0	111.3
829	A	27.3	Very low	29.7	Very low	84 Å²	84	123.2 Å²	123.2	69%	0.694	78%	0.781	S	S	*	*			trans	-151.6	46.3	-167.2	0	0	0	0	0	116.8	A827	A827-A829 PolarHBondContact O-N 3.2Å
830	A	35	Very low	29.7	Very low	92 Å²	92	121.8 Å²	121.8	76%	0.76	77%	0.77	S	S	*	*			trans	-160.9	90.5	161.6	0	0	0	0	0	108.5
831	L	29.8	Very low	29.6	Very low	166 Å²	166	124 Å²	124	87%	0.869	77%	0.766	S	S	*	*				48.3	90.9	72	-58.8	173.8	0	0	0	110.6
832	A	27.1	Very low	29.6	Very low	80 Å²	80	125.1 Å²	125.1	66%	0.661	77%	0.769	S	S	*	*				89.5	149	57	0	0	0	0	0	113.2
833	S	28.3	Very low	29.6	Very low	126 Å²	126	123.6 Å²	123.6	88%	0.881	76%	0.761	S	S	*	*			trans	65.8	149.4	-161.2	76.3	0	0	0	0	113.7
834	S	30.6	Very low	29.5	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	76%	0.76	S	S	*	*			cis	-149.3	119.7	-10.6	44.9	0	0	0	0	106
835	S	29.7	Very low	29.7	Very low	94 Å²	94	129.1 Å²	129.1	66%	0.657	76%	0.764	S	S	*	*				67.9	146	87.8	80.5	0	0	0	0	115.9
836	D	32.2	Very low	29.7	Very low	129 Å²	129	128.7 Å²	128.7	69%	0.69	77%	0.767	S	S	*	*			trans	80.1	112.9	155.1	-51	-47.8	0	0	0	122.3
837	T	30.7	Very low	30	Very low	132 Å²	132	129.7 Å²	129.7	81%	0.81	77%	0.766	S	S	*	*			trans	72.7	156.4	137	62.2	0	0	0	0	120.8
838	S	28.4	Very low	29.9	Very low	89 Å²	89	131.7 Å²	131.7	62%	0.622	76%	0.764	S	S	*	*			cis	-165.2	163	-30.3	57.8	0	0	0	0	111.5
839	L	28.1	Very low	30.2	Very low	160 Å²	160	128.9 Å²	128.9	84%	0.838	76%	0.757	S	S	*	*			trans	59.4	129.7	146.8	-73.7	163.6	0	0	0	122.7
840	A	29.8	Very low	30.4	Very low	75 Å²	75	128.4 Å²	128.4	62%	0.62	76%	0.76	S	S	*	*				77.9	117.5	128.5	0	0	0	0	0	122.8
841	N	28	Very low	30.3	Very low	157 Å²	157	131 Å²	131	84%	0.84	76%	0.762	S	S	*	*				66.2	116	121.6	-60.6	-2.8	0	0	0	123.1
842	S	27.5	Very low	30.5	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	76%	0.756	S	S	*	*				83.3	165	128.4	-144.8	0	0	0	0	120.6
843	D	31.7	Very low	30.6	Very low	129 Å²	129	129.7 Å²	129.7	69%	0.69	76%	0.761	S	S	*	*			trans	69.4	106	164.3	-55.7	-18.1	0	0	0	116.1
844	R	29.5	Very low	30.9	Very low	227 Å²	227	129 Å²	129	86%	0.857	75%	0.754	S	S	*	*				62.3	100.7	74.2	-73.3	-179.5	159.1	-175.5	-4.2	112.6
845	H	33.4	Very low	31	Very low	181 Å²	181	133.8 Å²	133.8	84%	0.838	76%	0.762	S	S	*	*			trans	-141.2	109.4	143.7	-107.8	-72.6	0	0	0	111
846	T	28.3	Very low	31.2	Very low	134 Å²	134	135.1 Å²	135.1	82%	0.822	77%	0.768	S	S	*	*			trans	-70.9	142.1	149.8	33.2	0	0	0	0	108.9
847	I	35.8	Very low	31.3	Very low	161 Å²	161	136.4 Å²	136.4	83%	0.826	78%	0.775	S	S	*	*			trans	-125.7	147.6	159	-64.9	-178.4	0	0	0	106
848	D	30.1	Very low	31.2	Very low	136 Å²	136	138.3 Å²	138.3	73%	0.727	78%	0.781	S	S	*	*			trans	-138.5	168.5	-152.4	-166	9.6	0	0	0	111.1
849	I	32.6	Very low	31.5	Very low	152 Å²	152	139 Å²	139	78%	0.779	79%	0.786	S	S	*	*			trans	70.5	126.6	168.3	-57.9	153.9	0	0	0	116.3
850	G	31.4	Very low	31.5	Very low	74 Å²	74	142 Å²	142	76%	0.763	79%	0.792	S	S	*	*			trans	-164.5	42.6	173.5	0	0	0	0	0	111.4
851	D	33.6	Very low	31.7	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	79%	0.792	S	S	*	*			trans	-79.7	126.3	-163.6	-163.8	1.7	0	0	0	113.1
852	S	34.5	Very low	32.2	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	80%	0.796	S	S	*	*			trans	-166.6	100.3	166.9	45.3	0	0	0	0	112.7
853	S	28.3	Very low	32.7	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	79%	0.79	S	S	*	*			trans	-70.7	147.6	159.8	-69.9	0	0	0	0	110.2
854	P	33.9	Very low	33	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	77%	0.77	S	S	*	*				-150.7	139	96.3	36.2	-18.6	0	0	0	117.2
855	K	33.4	Very low	33.6	Very low	198 Å²	198	134 Å²	134	86%	0.861	76%	0.76	S	S	*	*			trans	65.6	150.2	150.6	-68.8	179.6	176.4	177.6	0	119.6
856	P	33.2	Very low	34.5	Very low	121 Å²	121	131.8 Å²	131.8	79%	0.786	75%	0.754	S	S	*	*			trans	-92.8	124.6	174.7	34.8	-30	0	0	0	111.9
857	D	34.1	Very low	36	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	74%	0.741	S	S	*	*			trans	-113.7	130.8	162.7	-88.9	-46.2	0	0	0	110.2	S859	D857-S859 PolarHBondContact O-N 3.1Å; D857-S859 VanDerWaalsContact O-N 3.1Å
858	N	29.6	Very low	36.7	Very low	172 Å²	172	126.8 Å²	126.8	92%	0.92	72%	0.724	S	S	*	*			trans	-74.1	100.5	-176.8	-78.5	-43.1	0	0	0	111.2
859	S	34.3	Very low	37.5	Very low	104 Å²	104	123.2 Å²	123.2	73%	0.727	70%	0.704	S	S	*	*			trans	-137.9	125.7	161.6	62.3	0	0	0	0	111.2	D857 G861	D857-S859 PolarHBondContact O-N 3.1Å; D857-S859 VanDerWaalsContact O-N 3.1Å; S859-G861 PolarHBondContact O-N 3.42Å
860	F	27.5	Very low	38.8	Very low	222 Å²	222	119.7 Å²	119.7	97%	0.974	69%	0.687	S	S	*	*			trans	-76.7	75.5	174.1	-93.9	-102.1	0	0	0	109.6
861	G	34.8	Very low	40	Very low	60 Å²	60	118.9 Å²	118.9	62%	0.619	67%	0.673	S	S	*	*			trans	-65.3	131.9	170.7	0	0	0	0	0	111	S859 V863	S859-G861 PolarHBondContact O-N 3.42Å; G861-V863 PolarHBondContact O-N 2.75Å; G861-V863 VanDerWaalsContact O-N 3.12Å
862	K	39.4	Very low	40.9	Very low	212 Å²	212	113.9 Å²	113.9	92%	0.922	65%	0.648	S	S	*	*			trans	-60.1	112.9	-178.5	-64.9	174	179.6	176.4	0	110.9
863	V	36.9	Very low	41.8	Very low	101 Å²	101	111.6 Å²	111.6	61%	0.612	63%	0.632	S	S	*	*			trans	-66.5	132.2	157.4	179.6	0	0	0	0	107.5	G861 D867 I868	G861-V863 PolarHBondContact O-N 2.75Å; G861-V863 VanDerWaalsContact O-N 3.12Å; V863-D867 HydrophobicContact CG1-CB 4.06Å; V863-I868 HydrophobicContact CG1-CD1 4.3Å; V863-I868 HydrophobicContact CG1-CG1 3.96Å
864	G	37.5	Very low	43.4	Very low	25 Å²	25	112.2 Å²	112.2	26%	0.258	62%	0.621	S	S	.	*			trans	-66.6	146.6	179.1	0	0	0	0	0	111.7	D866 D867 I868	G864-D866 PolarHBondContact O-N 3.16Å; G864-D867 PolarHBondContact O-N 3.25Å; G864-I868 PolarHBondContact O-N 3.19Å
865	I	43	Very low	44.5	Very low	126 Å²	126	112.9 Å²	112.9	65%	0.646	62%	0.616	S	S	*	*	H	α-helix	trans	-58.6	-37.6	170.4	-63.6	174.6	0	0	0	109.2	D867 I868 D869	I865-D867 VanDerWaalsContact C-N 3.34Å; I865-D867 PolarHBondContact O-N 3Å; I865-I868 PolarHBondContact O-N 3.26Å; I865-I868 VanDerWaalsContact O-N 3.15Å; I865-D869 PolarHBondContact O-N 2.78Å
866	D	51.4	Low	45.1	Very low	135 Å²	135	106.7 Å²	106.7	72%	0.722	60%	0.595	S	S	*	*	H	α-helix	trans	-60.1	-37.6	177.4	-49.3	-60.3	0	0	0	113.2	G864 N870	G864-D866 PolarHBondContact O-N 3.16Å; D866-N870 WeakPolarHBondContact O-CB 3.49Å; D866-N870 PolarHBondContact O-N 3.11Å
867	D	60.4	Low	46.2	Very low	100 Å²	100	105.7 Å²	105.7	54%	0.535	58%	0.582	S	S	.	*	H	α-helix	trans	-67.3	-40.3	176	-71.6	-49.2	0	0	0	111.4	V863 G864 I865 A871	V863-D867 HydrophobicContact CG1-CB 4.06Å; G864-D867 PolarHBondContact O-N 3.25Å; I865-D867 VanDerWaalsContact C-N 3.34Å; I865-D867 PolarHBondContact O-N 3Å; D867-A871 VanDerWaalsContact O-CB 3.31Å; D867-A871 WeakPolarHBondContact O-CB 3.01Å; D867-A871 PolarHBondContact O-N 3.47Å
868	I	50	Low	47.4	Very low	91 Å²	91	107.2 Å²	107.2	47%	0.467	58%	0.575	S	S	.	*	H	α-helix	trans	-66.6	-46.4	178.3	-61.9	174.2	0	0	0	110	V863 G864 I865 A871 V872	V863-I868 HydrophobicContact CG1-CD1 4.3Å; V863-I868 HydrophobicContact CG1-CG1 3.96Å; G864-I868 PolarHBondContact O-N 3.19Å; I865-I868 PolarHBondContact O-N 3.26Å; I865-I868 VanDerWaalsContact O-N 3.15Å; I868-A871 PolarHBondContact O-N 3.06Å; I868-V872 HydrophobicContact CG2-CG2 4.45Å; I868-V872 WeakPolarHBondContact O-CG2 3.04Å; I868-V872 PolarHBondContact O-N 3.37Å
869	D	48.5	Very low	48.3	Very low	60 Å²	60	103.9 Å²	103.9	32%	0.321	56%	0.557	S	S	.	*	H	α-helix	trans	-73.2	-28	179.4	-86.1	-36.3	0	0	0	113.5	I865 S873 R1067	I865-D869 PolarHBondContact O-N 2.78Å; D869-S873 WeakPolarHBondContact O-CB 3.27Å; D869-S873 PolarHBondContact O-N 3.05Å; D869-S873 PolarHBondContact O-OG 2.89Å; D869-R1067 IonicContact OD1-CZ 3.24Å; D869-R1067 IonicContact OD1-NH1 2.73Å; D869-R1067 PolarHBondContact OD1-NH1 3.42Å; D869-R1067 IonicContact OD1-NH2 3.04Å; D869-R1067 PolarHBondContact OD1-NH2 2.88Å
870	N	58.7	Low	48.9	Very low	78 Å²	78	104.3 Å²	104.3	42%	0.417	55%	0.551	S	S	.	*	H	α-helix	trans	-65.8	-43.7	168.5	-172.5	-12.3	0	0	0	111.1	D866 K874	D866-N870 WeakPolarHBondContact O-CB 3.49Å; D866-N870 PolarHBondContact O-N 3.11Å; N870-K874 WeakPolarHBondContact O-CG 3.29Å; N870-K874 PolarHBondContact O-N 3.06Å; N870-K874 VanDerWaalsContact O-N 3.08Å; N870-K874 WeakPolarHBondContact OD1-CE 3.05Å; N870-K874 PolarHBondContact OD1-NZ 3.09Å
871	A	57	Low	50.3	Low	58 Å²	58	98.3 Å²	98.3	48%	0.479	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-46.7	174.9	0	0	0	0	0	112.4	D867 I868 K874 M875	D867-A871 VanDerWaalsContact O-CB 3.31Å; D867-A871 WeakPolarHBondContact O-CB 3.01Å; D867-A871 PolarHBondContact O-N 3.47Å; I868-A871 PolarHBondContact O-N 3.06Å; A871-K874 PolarHBondContact O-N 3.38Å; A871-M875 PolarHBondContact O-N 3.28Å
872	V	51.6	Low	51.2	Low	43 Å²	43	100.6 Å²	100.6	26%	0.261	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-40	177.4	174.4	0	0	0	0	111.1	I868 K874 M875 T876	I868-V872 HydrophobicContact CG2-CG2 4.45Å; I868-V872 WeakPolarHBondContact O-CG2 3.04Å; I868-V872 PolarHBondContact O-N 3.37Å; V872-K874 PolarHBondContact O-N 3.05Å; V872-M875 PolarHBondContact O-N 2.96Å; V872-M875 VanDerWaalsContact O-N 3.16Å; V872-T876 WeakPolarHBondContact O-CB 3.08Å; V872-T876 PolarHBondContact O-N 2.97Å; V872-T876 PolarHBondContact O-OG1 2.97Å
873	S	54.1	Low	51.6	Low	58 Å²	58	94.7 Å²	94.7	41%	0.406	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175.8	-63	0	0	0	0	111.9	D869 M875 T876 I877	D869-S873 WeakPolarHBondContact O-CB 3.27Å; D869-S873 PolarHBondContact O-N 3.05Å; D869-S873 PolarHBondContact O-OG 2.89Å; S873-M875 VanDerWaalsContact C-N 3.3Å; S873-M875 PolarHBondContact O-N 3.22Å; S873-T876 PolarHBondContact O-N 2.68Å; S873-I877 VanDerWaalsContact O-CG1 3.31Å; S873-I877 WeakPolarHBondContact O-CG1 3.49Å; S873-I877 PolarHBondContact O-N 3.26Å
874	K	63.1	Low	52	Low	124 Å²	124	92 Å²	92	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-35.3	174.3	-75.9	165.3	175.4	155.5	0	112.8	N870 A871 V872 R878	N870-K874 WeakPolarHBondContact O-CG 3.29Å; N870-K874 PolarHBondContact O-N 3.06Å; N870-K874 VanDerWaalsContact O-N 3.08Å; N870-K874 WeakPolarHBondContact OD1-CE 3.05Å; N870-K874 PolarHBondContact OD1-NZ 3.09Å; A871-K874 PolarHBondContact O-N 3.38Å; V872-K874 PolarHBondContact O-N 3.05Å; K874-R878 WeakPolarHBondContact O-CG 3.37Å; K874-R878 PolarHBondContact O-N 2.96Å
875	M	56	Low	52.8	Low	127 Å²	127	94.4 Å²	94.4	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-72.1	-41.9	176.5	-166.7	169.8	-174.8	0	0	112	A871 V872 S873 R878 L879	A871-M875 PolarHBondContact O-N 3.28Å; V872-M875 PolarHBondContact O-N 2.96Å; V872-M875 VanDerWaalsContact O-N 3.16Å; S873-M875 VanDerWaalsContact C-N 3.3Å; S873-M875 PolarHBondContact O-N 3.22Å; M875-R878 PolarHBondContact O-N 3.3Å; M875-L879 HydrophobicContact CG-CD1 4.37Å; M875-L879 WeakPolarHBondContact O-CG 3.4Å; M875-L879 PolarHBondContact O-N 3.02Å
876	T	46.6	Very low	53.1	Low	68 Å²	68	91.7 Å²	91.7	42%	0.417	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-44.1	176.2	-60	0	0	0	0	111.8	V872 S873 R878 L879 L880	V872-T876 WeakPolarHBondContact O-CB 3.08Å; V872-T876 PolarHBondContact O-N 2.97Å; V872-T876 PolarHBondContact O-OG1 2.97Å; S873-T876 PolarHBondContact O-N 2.68Å; T876-R878 PolarHBondContact O-N 2.79Å; T876-L879 PolarHBondContact O-N 2.94Å; T876-L880 HydrophobicContact CG2-CD1 4.09Å; T876-L880 WeakPolarHBondContact O-CG 3.5Å; T876-L880 PolarHBondContact O-N 3.22Å
877	I	55.9	Low	52.4	Low	100 Å²	100	88.6 Å²	88.6	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-60	-47.2	176.4	-68.5	164.7	0	0	0	110.7	S873 L879 L880 D881	S873-I877 VanDerWaalsContact O-CG1 3.31Å; S873-I877 WeakPolarHBondContact O-CG1 3.49Å; S873-I877 PolarHBondContact O-N 3.26Å; I877-L879 VanDerWaalsContact C-N 3.31Å; I877-L879 PolarHBondContact O-N 2.78Å; I877-L880 PolarHBondContact O-N 3.32Å; I877-L880 VanDerWaalsContact O-N 3.17Å; I877-D881 PolarHBondContact O-N 2.79Å
878	R	60	Low	51.8	Low	187 Å²	187	89 Å²	89	71%	0.706	49%	0.485	S	S	*	.	H	α-helix	trans	-61.3	-36	176.5	-75.2	176.5	173.2	-179.6	-2	113.3	K874 M875 T876 N882	K874-R878 WeakPolarHBondContact O-CG 3.37Å; K874-R878 PolarHBondContact O-N 2.96Å; M875-R878 PolarHBondContact O-N 3.3Å; T876-R878 PolarHBondContact O-N 2.79Å; R878-N882 WeakPolarHBondContact O-CB 3.39Å; R878-N882 PolarHBondContact O-N 2.82Å; R878-N882 VanDerWaalsContact O-N 3.1Å; R878-N882 PolarHBondContact O-ND2 3.5Å
879	L	47.5	Very low	51.9	Low	102 Å²	102	88.9 Å²	88.9	53%	0.534	49%	0.486	S	S	.	.	H	α-helix	trans	-68.9	-40.5	175	-75.7	166.3	0	0	0	111.7	M875 T876 I877 N882 V883	M875-L879 HydrophobicContact CG-CD1 4.37Å; M875-L879 WeakPolarHBondContact O-CG 3.4Å; M875-L879 PolarHBondContact O-N 3.02Å; T876-L879 PolarHBondContact O-N 2.94Å; I877-L879 VanDerWaalsContact C-N 3.31Å; I877-L879 PolarHBondContact O-N 2.78Å; L879-N882 PolarHBondContact O-N 2.97Å; L879-V883 WeakPolarHBondContact O-CG2 3.33Å; L879-V883 PolarHBondContact O-N 3.01Å
880	L	47.9	Very low	51.6	Low	113 Å²	113	89.2 Å²	89.2	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-65.7	-42.5	175.9	-71.4	170.4	0	0	0	112.1	T876 I877 V883 A884	T876-L880 HydrophobicContact CG2-CD1 4.09Å; T876-L880 WeakPolarHBondContact O-CG 3.5Å; T876-L880 PolarHBondContact O-N 3.22Å; I877-L880 PolarHBondContact O-N 3.32Å; I877-L880 VanDerWaalsContact O-N 3.17Å; L880-V883 PolarHBondContact O-N 2.66Å; L880-A884 VanDerWaalsContact O-CB 3.29Å; L880-A884 WeakPolarHBondContact O-CB 3.4Å; L880-A884 PolarHBondContact O-N 3.33Å
881	D	55.5	Low	50.7	Low	97 Å²	97	90.7 Å²	90.7	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-44.9	174.6	-79.4	-29.3	0	0	0	111.5	I877 V883 A884 T885	I877-D881 PolarHBondContact O-N 2.79Å; D881-V883 VanDerWaalsContact C-N 3.34Å; D881-V883 PolarHBondContact O-N 3.03Å; D881-A884 PolarHBondContact O-N 3.45Å; D881-T885 PolarHBondContact O-N 3.37Å; D881-T885 PolarHBondContact O-OG1 3.43Å; D881-T885 VanDerWaalsContact O-OG1 3.1Å
882	N	53.7	Low	50.5	Low	108 Å²	108	96 Å²	96	58%	0.578	51%	0.505	S	S	*	.	H	α-helix	trans	-63.8	-36.2	177.6	-74	-13.4	0	0	0	112.9	R878 L879 T885 S886	R878-N882 WeakPolarHBondContact O-CB 3.39Å; R878-N882 PolarHBondContact O-N 2.82Å; R878-N882 VanDerWaalsContact O-N 3.1Å; R878-N882 PolarHBondContact O-ND2 3.5Å; L879-N882 PolarHBondContact O-N 2.97Å; N882-T885 WeakPolarHBondContact CA-OG1 3.5Å; N882-T885 PolarHBondContact O-OG1 3.27Å; N882-T885 VanDerWaalsContact O-OG1 3.07Å; N882-S886 VanDerWaalsContact O-CB 3.28Å; N882-S886 WeakPolarHBondContact O-CB 3.36Å; N882-S886 PolarHBondContact O-N 2.89Å; N882-S886 VanDerWaalsContact O-N 3.08Å
883	V	47.8	Very low	50.4	Low	88 Å²	88	100.8 Å²	100.8	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-71	-40.9	173.2	170.7	0	0	0	0	110.7	L879 L880 D881 S886 C887	L879-V883 WeakPolarHBondContact O-CG2 3.33Å; L879-V883 PolarHBondContact O-N 3.01Å; L880-V883 PolarHBondContact O-N 2.66Å; D881-V883 VanDerWaalsContact C-N 3.34Å; D881-V883 PolarHBondContact O-N 3.03Å; V883-S886 PolarHBondContact O-N 2.82Å; V883-C887 WeakPolarHBondContact O-CB 3.4Å; V883-C887 PolarHBondContact O-N 2.9Å; V883-C887 PolarHBondContact O-SG 2.8Å; V883-C887 VanDerWaalsContact O-SG 3.36Å
884	A	46.9	Very low	49.6	Very low	45 Å²	45	107.4 Å²	107.4	37%	0.372	54%	0.541	S	S	.	.	H	α-helix	trans	-65	-39.5	178.2	0	0	0	0	0	112.6	L880 D881 Q888	L880-A884 VanDerWaalsContact O-CB 3.29Å; L880-A884 WeakPolarHBondContact O-CB 3.4Å; L880-A884 PolarHBondContact O-N 3.33Å; D881-A884 PolarHBondContact O-N 3.45Å; A884-Q888 WeakPolarHBondContact O-CG 3.4Å; A884-Q888 PolarHBondContact O-N 3.03Å
885	T	52.6	Low	48.8	Very low	74 Å²	74	110.5 Å²	110.5	45%	0.454	56%	0.555	S	S	.	*	H	α-helix	trans	-68.1	-45.9	173.2	51.1	0	0	0	0	111.4	D881 N882 C887 Q888 D889	D881-T885 PolarHBondContact O-N 3.37Å; D881-T885 PolarHBondContact O-OG1 3.43Å; D881-T885 VanDerWaalsContact O-OG1 3.1Å; N882-T885 WeakPolarHBondContact CA-OG1 3.5Å; N882-T885 PolarHBondContact O-OG1 3.27Å; N882-T885 VanDerWaalsContact O-OG1 3.07Å; T885-C887 VanDerWaalsContact C-N 3.32Å; T885-C887 PolarHBondContact O-N 2.64Å; T885-Q888 CarbonylContact O-C 3.58Å; T885-Q888 PolarHBondContact O-N 2.94Å; T885-D889 PolarHBondContact O-N 3.42Å
886	S	49.2	Very low	48.3	Very low	70 Å²	70	108.2 Å²	108.2	49%	0.49	56%	0.556	S	S	.	*	H	α-helix	trans	-58	-42.4	176.4	-176.5	0	0	0	0	112.4	N882 V883 D889 T890	N882-S886 VanDerWaalsContact O-CB 3.28Å; N882-S886 WeakPolarHBondContact O-CB 3.36Å; N882-S886 PolarHBondContact O-N 2.89Å; N882-S886 VanDerWaalsContact O-N 3.08Å; V883-S886 PolarHBondContact O-N 2.82Å; S886-D889 PolarHBondContact O-N 2.74Å; S886-T890 WeakPolarHBondContact O-CB 3.47Å; S886-T890 PolarHBondContact O-N 2.96Å; S886-T890 PolarHBondContact O-OG1 3.48Å
887	C	36.7	Very low	47.8	Very low	69 Å²	69	108 Å²	108	47%	0.466	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-38.1	173.1	-73.9	0	0	0	0	112.8	V883 T885 L891	V883-C887 WeakPolarHBondContact O-CB 3.4Å; V883-C887 PolarHBondContact O-N 2.9Å; V883-C887 PolarHBondContact O-SG 2.8Å; V883-C887 VanDerWaalsContact O-SG 3.36Å; T885-C887 VanDerWaalsContact C-N 3.32Å; T885-C887 PolarHBondContact O-N 2.64Å; C887-L891 WeakPolarHBondContact O-CB 3.41Å; C887-L891 WeakPolarHBondContact O-CG 3.39Å; C887-L891 PolarHBondContact O-N 3.06Å
888	Q	49.1	Very low	46.9	Very low	108 Å²	108	108.3 Å²	108.3	51%	0.505	57%	0.565	S	S	.	*	H	α-helix	trans	-67.1	-38.5	174.2	-79.6	-173.9	47.2	0	0	112.6	A884 T885 L891 R892	A884-Q888 WeakPolarHBondContact O-CG 3.4Å; A884-Q888 PolarHBondContact O-N 3.03Å; T885-Q888 CarbonylContact O-C 3.58Å; T885-Q888 PolarHBondContact O-N 2.94Å; Q888-L891 CarbonylContact O-C 3.52Å; Q888-L891 PolarHBondContact O-N 3Å; Q888-R892 WeakPolarHBondContact O-CG 3.45Å; Q888-R892 PolarHBondContact O-N 3.25Å
889	D	52.3	Low	46	Very low	90 Å²	90	107.4 Å²	107.4	48%	0.481	57%	0.569	S	S	.	*	H	α-helix	trans	-72.2	-36.8	178	-70.8	-28.9	0	0	0	111.7	T885 S886 R892 Q893	T885-D889 PolarHBondContact O-N 3.42Å; S886-D889 PolarHBondContact O-N 2.74Å; D889-R892 WeakPolarHBondContact O-CB 3.04Å; D889-R892 PolarHBondContact O-N 3.24Å; D889-Q893 WeakPolarHBondContact O-CG 3.39Å; D889-Q893 PolarHBondContact O-N 2.82Å
890	T	41.1	Very low	45.5	Very low	67 Å²	67	106.7 Å²	106.7	41%	0.411	58%	0.578	S	S	.	*	H	α-helix	trans	-62.1	-42.8	170.1	-52.8	0	0	0	0	111.1	S886 R892 Q893 W894	S886-T890 WeakPolarHBondContact O-CB 3.47Å; S886-T890 PolarHBondContact O-N 2.96Å; S886-T890 PolarHBondContact O-OG1 3.48Å; T890-R892 VanDerWaalsContact C-N 3.35Å; T890-R892 PolarHBondContact O-N 3.33Å; T890-Q893 PolarHBondContact O-N 3.27Å; T890-W894 WeakPolarHBondContact O-CB 3.46Å; T890-W894 PolarHBondContact O-N 3.4Å
891	L	39.9	Very low	45	Very low	109 Å²	109	111.3 Å²	111.3	57%	0.571	59%	0.588	S	S	*	*	H	α-helix	trans	-67.6	-30	174	-80.9	166.2	0	0	0	113.3	C887 Q888 K895	C887-L891 WeakPolarHBondContact O-CB 3.41Å; C887-L891 WeakPolarHBondContact O-CG 3.39Å; C887-L891 PolarHBondContact O-N 3.06Å; Q888-L891 CarbonylContact O-C 3.52Å; Q888-L891 PolarHBondContact O-N 3Å; L891-K895 WeakPolarHBondContact O-CG 3.34Å; L891-K895 PolarHBondContact O-N 2.92Å; L891-K895 VanDerWaalsContact O-N 3.13Å
892	R	53.7	Low	44.1	Very low	169 Å²	169	111.1 Å²	111.1	64%	0.638	59%	0.594	S	S	*	*	H	α-helix	trans	-68.7	-45.3	171.6	-77.7	171.6	-178.8	-108.5	7.8	110.8	Q888 D889 T890 W894 K895 A896	Q888-R892 WeakPolarHBondContact O-CG 3.45Å; Q888-R892 PolarHBondContact O-N 3.25Å; D889-R892 WeakPolarHBondContact O-CB 3.04Å; D889-R892 PolarHBondContact O-N 3.24Å; T890-R892 VanDerWaalsContact C-N 3.35Å; T890-R892 PolarHBondContact O-N 3.33Å; R892-W894 PolarHBondContact O-N 2.66Å; R892-K895 CarbonylContact O-C 3.55Å; R892-K895 PolarHBondContact O-N 3.14Å; R892-K895 VanDerWaalsContact O-N 3.13Å; R892-A896 VanDerWaalsContact O-CB 3.26Å; R892-A896 WeakPolarHBondContact O-CB 3.03Å; R892-A896 PolarHBondContact O-N 3.06Å
893	Q	49.7	Very low	43.2	Very low	144 Å²	144	112.5 Å²	112.5	67%	0.673	60%	0.601	S	S	*	*	H	α-helix	trans	-60	-45.6	174.4	-72.2	-176.9	-2.5	0	0	111.4	D889 T890 K895 A896	D889-Q893 WeakPolarHBondContact O-CG 3.39Å; D889-Q893 PolarHBondContact O-N 2.82Å; T890-Q893 PolarHBondContact O-N 3.27Å; Q893-K895 PolarHBondContact O-N 2.78Å; Q893-A896 PolarHBondContact O-N 2.69Å
894	W	36.6	Very low	42.3	Very low	196 Å²	196	117 Å²	117	74%	0.742	62%	0.619	S	S	*	*	H	α-helix	trans	-62.7	-21.4	175.1	-90.2	57.8	0	0	0	114.6	T890 R892	T890-W894 WeakPolarHBondContact O-CB 3.46Å; T890-W894 PolarHBondContact O-N 3.4Å; R892-W894 PolarHBondContact O-N 2.66Å
895	K	46.4	Very low	41.4	Very low	190 Å²	190	120.5 Å²	120.5	83%	0.826	64%	0.638	S	S	*	*	H	α-helix	trans	-95.4	-7.8	172.8	-76.5	-169.1	173.4	-168.9	0	114.3	L891 R892 Q893	L891-K895 WeakPolarHBondContact O-CG 3.34Å; L891-K895 PolarHBondContact O-N 2.92Å; L891-K895 VanDerWaalsContact O-N 3.13Å; R892-K895 CarbonylContact O-C 3.55Å; R892-K895 PolarHBondContact O-N 3.14Å; R892-K895 VanDerWaalsContact O-N 3.13Å; Q893-K895 PolarHBondContact O-N 2.78Å
896	A	46.3	Very low	40.2	Very low	79 Å²	79	120.6 Å²	120.6	65%	0.653	65%	0.653	S	S	*	*	H	α-helix	trans	-103.1	-5.9	-173.4	0	0	0	0	0	114.5	R892 Q893	R892-A896 VanDerWaalsContact O-CB 3.26Å; R892-A896 WeakPolarHBondContact O-CB 3.03Å; R892-A896 PolarHBondContact O-N 3.06Å; Q893-A896 PolarHBondContact O-N 2.69Å
897	S	34.6	Very low	39.3	Very low	62 Å²	62	123.4 Å²	123.4	43%	0.434	67%	0.667	S	S	.	*			trans	-124.3	103.7	177.8	-174	0	0	0	0	111.5
898	P	37.5	Very low	38.8	Very low	107 Å²	107	127.2 Å²	127.2	70%	0.695	68%	0.681	S	S	*	*	S	Bend	trans	-73.8	-26	172.9	-18	32.9	0	0	0	113.5
899	E	40.3	Very low	37.8	Very low	169 Å²	169	127.7 Å²	127.7	79%	0.79	70%	0.697	S	S	*	*	S	Bend	trans	-86.9	-17.9	-160.7	-63.5	170.4	133.1	0	0	114	R901	E899-R901 PolarHBondContact O-N 3Å
900	A	36.7	Very low	36.6	Very low	87 Å²	87	128.2 Å²	128.2	72%	0.719	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	24.8	-175.6	0	0	0	0	0	115.1
901	R	37.4	Very low	36	Very low	210 Å²	210	133.2 Å²	133.2	79%	0.792	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	-5	-168.4	-78.3	-172.3	169.7	-157.7	-4.2	116.6	E899	E899-R901 PolarHBondContact O-N 3Å
902	S	36.9	Very low	35.6	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	73%	0.733	S	S	*	*	S	Bend	trans	-87.8	-29.3	-175.2	47.5	0	0	0	0	115.4
903	D	35	Very low	34.4	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	74%	0.736	S	S	*	*	S	Bend	trans	-104.1	15.2	-152.8	-73.4	25.4	0	0	0	115.8
904	M	30.1	Very low	33.2	Very low	182 Å²	182	130.9 Å²	130.9	90%	0.897	74%	0.736	S	S	*	*			trans	-129.4	80.5	179.6	-78.6	-71	-84.8	0	0	113.4
905	P	27.8	Very low	32.7	Very low	119 Å²	119	125.3 Å²	125.3	77%	0.773	73%	0.727	S	S	*	*			trans	-80.2	146.3	176.5	32.1	-34.6	0	0	0	113.6
906	G	27.9	Very low	31.7	Very low	76 Å²	76	121.9 Å²	121.9	78%	0.784	72%	0.724	S	S	*	*	S	Bend	trans	110.4	-5.1	144.5	0	0	0	0	0	120.4
907	V	28.5	Very low	31	Very low	128 Å²	128	127.4 Å²	127.4	78%	0.776	73%	0.727	S	S	*	*	S	Bend	trans	-112	-20.2	-170.2	-172.1	0	0	0	0	115.3
908	I	27.6	Very low	30.7	Very low	149 Å²	149	132 Å²	132	76%	0.764	75%	0.746	S	S	*	*	S	Bend	trans	-103.7	-21.4	-169.3	-64.5	173	0	0	0	113.5	T910	I908-T910 PolarHBondContact O-N 3.04Å
909	S	28.1	Very low	30.4	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	7.9	-163.5	-164.2	0	0	0	0	116.9
910	T	27.7	Very low	29.9	Very low	101 Å²	101	132.6 Å²	132.6	62%	0.62	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	-2.1	-171	45.5	0	0	0	0	115.5	I908	I908-T910 PolarHBondContact O-N 3.04Å
911	F	28.3	Very low	29.4	Very low	171 Å²	171	133.1 Å²	133.1	75%	0.75	74%	0.742	S	S	*	*	S	Bend	trans	-101.3	-16.5	-175.6	-97.6	-88.9	0	0	0	115.8	A913	F911-A913 PolarHBondContact O-N 3.49Å
912	D	30.8	Very low	29.1	Very low	160 Å²	160	129.4 Å²	129.4	86%	0.856	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	0.5	178.9	-69.4	-36.8	0	0	0	114.2
913	A	28	Very low	28.6	Very low	85 Å²	85	132.9 Å²	132.9	70%	0.702	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-10.1	-173.4	0	0	0	0	0	115.3	F911	F911-A913 PolarHBondContact O-N 3.49Å
914	I	25.5	Very low	28.3	Very low	129 Å²	129	135 Å²	135	66%	0.662	76%	0.757	S	S	*	*			trans	-105.2	77.8	-174.1	-50.9	-177.5	0	0	0	110.7
915	S	24.6	Very low	28.3	Very low	79 Å²	79	135.8 Å²	135.8	55%	0.552	76%	0.756	S	S	*	*			trans	-73.3	140	168.3	-158.2	0	0	0	0	110.2	R917	S915-R917 PolarHBondContact O-N 2.88Å
916	P	26.8	Very low	28.1	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-62.8	5	-170.7	-26.8	36	0	0	0	118.3	L918	P916-L918 PolarHBondContact O-N 3.29Å
917	R	30.3	Very low	28.1	Very low	194 Å²	194	136 Å²	136	73%	0.732	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-81.4	-3.9	-171.3	-76.3	-178.3	165.4	167.8	-4.7	115.9	S915	S915-R917 PolarHBondContact O-N 2.88Å
918	L	29.8	Very low	28	Very low	158 Å²	158	137.9 Å²	137.9	83%	0.827	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-103.3	7.7	-170.1	-74.8	169.9	0	0	0	116.3	P916	P916-L918 PolarHBondContact O-N 3.29Å
919	L	29.5	Very low	27.9	Very low	154 Å²	154	139.3 Å²	139.3	81%	0.806	76%	0.762	S	S	*	*	S	Bend	trans	-107.6	3.4	-176.4	-69.5	175.2	0	0	0	115.5
920	H	31.2	Very low	27.8	Very low	135 Å²	135	138.6 Å²	138.6	63%	0.625	75%	0.754	S	S	*	*	S	Bend	trans	-131.9	54.4	-173.7	-64	-23.9	0	0	0	113.7	N1028	H920-N1028 PolarHBondContact NE2-OD1 2.84Å
921	S	26.2	Very low	27.9	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	77%	0.766	S	S	*	*			trans	-144.9	130.8	159.9	-177.8	0	0	0	0	111.5
922	S	29.8	Very low	27.8	Very low	132 Å²	132	137.9 Å²	137.9	92%	0.923	76%	0.764	S	S	*	*	S	Bend	trans	-98.3	17.1	-168.7	-51.6	0	0	0	0	114.2
923	R	27.9	Very low	27.6	Very low	167 Å²	167	135.4 Å²	135.4	63%	0.63	76%	0.756	S	S	*	*			trans	-117	-19.2	-164.6	-92.4	-172.9	162.7	-176.3	-7.4	118.1	K925 E1138	R923-K925 PolarHBondContact O-N 3.33Å; R923-E1138 WeakPolarHBondContact CD-OE1 3.27Å; R923-E1138 IonicContact CZ-OE1 2.66Å; R923-E1138 IonicContact CZ-OE2 3.95Å; R923-E1138 IonicContact NE-OE1 2.66Å; R923-E1138 IonicContact NH1-OE1 3.76Å; R923-E1138 PolarHBondContact NH1-OE1 2.88Å; R923-E1138 IonicContact NH1-OE2 3.41Å; R923-E1138 PolarHBondContact NH1-OE2 3.18Å
924	L	28.4	Very low	27.5	Very low	180 Å²	180	138.9 Å²	138.9	94%	0.942	76%	0.762	S	S	*	*			trans	-76.1	92.7	-178.7	-68.2	178.1	0	0	0	112
925	K	29.6	Very low	27.5	Very low	199 Å²	199	139 Å²	139	87%	0.865	77%	0.769	S	S	*	*			trans	-94.4	119.3	167.3	-78.6	-175.6	175.1	-179.3	0	110.8	R923	R923-K925 PolarHBondContact O-N 3.33Å
926	A	24.2	Very low	27.6	Very low	105 Å²	105	141 Å²	141	87%	0.868	78%	0.78	S	S	*	*			trans	49.2	82.4	146.4	0	0	0	0	0	118.8
927	A	27.9	Very low	27.6	Very low	94 Å²	94	141.8 Å²	141.8	78%	0.777	77%	0.771	S	S	*	*			trans	-151.6	102.5	147.2	0	0	0	0	0	111
928	E	26.7	Very low	27.4	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	78%	0.777	S	S	*	*			trans	48.7	157.1	152.2	-47.6	-165.7	132	0	0	123.6
929	F	25.1	Very low	27.2	Very low	179 Å²	179	136.7 Å²	136.7	79%	0.785	76%	0.756	S	S	*	*			trans	74.9	147.5	166.3	-65.8	-65	0	0	0	118.8
930	P	25.3	Very low	27	Very low	103 Å²	103	137.1 Å²	137.1	67%	0.669	76%	0.758	S	S	*	*				-135.6	-178.6	-114.2	45.3	-31.5	0	0	0	117.9
931	T	29.7	Very low	26.8	Very low	141 Å²	141	139.6 Å²	139.6	87%	0.865	76%	0.762	S	S	*	*			trans	72.7	145.4	166.2	54.8	0	0	0	0	118.2
932	T	26.9	Very low	26.8	Very low	117 Å²	117	139.4 Å²	139.4	72%	0.718	76%	0.761	S	S	*	*			trans	-127.2	147.7	-160.6	47.5	0	0	0	0	113.6
933	P	26.7	Very low	26.6	Very low	107 Å²	107	141.7 Å²	141.7	70%	0.695	76%	0.762	S	S	*	*			trans	-78.8	138	153.7	32.7	-30.5	0	0	0	110
934	L	24.3	Very low	26.8	Very low	158 Å²	158	139.1 Å²	139.1	83%	0.827	77%	0.765	S	S	*	*			trans	-80.9	140.5	-174.5	-72.8	76	0	0	0	112.5
935	V	26.5	Very low	26.8	Very low	133 Å²	133	137.6 Å²	137.6	81%	0.806	76%	0.758	S	S	*	*			trans	-110.9	123.3	158.6	179.1	0	0	0	0	108.1	K937	V935-K937 PolarHBondContact O-N 2.94Å
936	P	25.7	Very low	26.8	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	76%	0.757	S	S	*	*			trans	-63.8	115.4	-178.1	-24.3	34.8	0	0	0	112.8	L938	P936-L938 PolarHBondContact O-N 3.49Å
937	K	27.1	Very low	27.1	Very low	135 Å²	135	135.3 Å²	135.3	59%	0.587	75%	0.745	S	S	*	*			trans	-90.3	101.5	175.7	-160.4	-178	-173.2	-170.2	0	109.3	V935 E939	V935-K937 PolarHBondContact O-N 2.94Å; K937-E939 PolarHBondContact O-N 2.87Å
938	L	26.2	Very low	27.1	Very low	165 Å²	165	138.2 Å²	138.2	86%	0.864	74%	0.742	S	S	*	*			trans	-72	89.8	176.6	-84.7	169.9	0	0	0	111	P936 L940	P936-L938 PolarHBondContact O-N 3.49Å; L938-L940 PolarHBondContact O-N 3.17Å; L938-L940 VanDerWaalsContact O-N 3.1Å
939	E	25.9	Very low	27.4	Very low	81 Å²	81	137.4 Å²	137.4	38%	0.379	74%	0.736	S	S	.	*			trans	-74.8	91.2	169.1	-67.6	-160	174.7	0	0	111.3	K937 R941	K937-E939 PolarHBondContact O-N 2.87Å; E939-R941 HydrophobicContact CB-CG 4.32Å; E939-R941 PolarHBondContact O-N 2.93Å; E939-R941 IonicContact OE2-CZ 2.73Å; E939-R941 IonicContact OE2-NE 3.24Å; E939-R941 PolarHBondContact OE2-NE 3.08Å; E939-R941 IonicContact OE2-NH2 2.75Å; E939-R941 PolarHBondContact OE2-NH2 3.25Å
940	L	26.3	Very low	27.5	Very low	162 Å²	162	136.5 Å²	136.5	85%	0.848	74%	0.739	S	S	*	*			trans	-72.6	79.3	162.4	-78.5	170.7	0	0	0	109.9	L938	L938-L940 PolarHBondContact O-N 3.17Å; L938-L940 VanDerWaalsContact O-N 3.1Å
941	R	27.1	Very low	27.6	Very low	187 Å²	187	135.1 Å²	135.1	71%	0.706	74%	0.744	S	S	*	*			trans	-75	129.2	169.9	-65.3	-169.6	-175.3	-163.9	1.5	110.4	E939 L943	E939-R941 HydrophobicContact CB-CG 4.32Å; E939-R941 PolarHBondContact O-N 2.93Å; E939-R941 IonicContact OE2-CZ 2.73Å; E939-R941 IonicContact OE2-NE 3.24Å; E939-R941 PolarHBondContact OE2-NE 3.08Å; E939-R941 IonicContact OE2-NH2 2.75Å; E939-R941 PolarHBondContact OE2-NH2 3.25Å; R941-L943 PolarHBondContact O-N 2.87Å
942	S	25.9	Very low	27.3	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	75%	0.748	S	S	*	*			trans	40.1	76.8	153.2	59.3	0	0	0	0	117.1	T944	S942-T944 PolarHBondContact O-N 3.1Å
943	L	25.3	Very low	27.3	Very low	179 Å²	179	134.2 Å²	134.2	94%	0.937	75%	0.746	S	S	*	*			trans	-79.4	83.3	136.9	-81.7	167.9	0	0	0	107.3	R941	R941-L943 PolarHBondContact O-N 2.87Å
944	T	32.1	Very low	27.3	Very low	113 Å²	113	137.3 Å²	137.3	69%	0.693	76%	0.756	S	S	*	*			trans	-67.7	155.5	158.3	42.6	0	0	0	0	109.3	S942	S942-T944 PolarHBondContact O-N 3.1Å
945	D	27.6	Very low	27.2	Very low	149 Å²	149	138 Å²	138	80%	0.797	76%	0.76	S	S	*	*			trans	-53	139.7	-175.9	-50.2	-90.7	0	0	0	113.2
946	E	29.7	Very low	27.2	Very low	181 Å²	181	139.4 Å²	139.4	85%	0.846	76%	0.763	S	S	*	*				-166	170.3	115.8	-102.2	-51.8	150.5	0	0	112.2
947	A	30.5	Very low	27	Very low	74 Å²	74	137.2 Å²	137.2	61%	0.612	75%	0.754	S	S	*	*			trans	-69.8	142.5	-160.6	0	0	0	0	0	117.9
948	E	28.3	Very low	26.8	Very low	155 Å²	155	138.4 Å²	138.4	72%	0.724	77%	0.767	S	S	*	*				63.3	141.9	124	-153	-171.1	-134.5	0	0	121.7
949	K	32.5	Very low	26.9	Very low	152 Å²	152	135 Å²	135	66%	0.661	76%	0.763	S	S	*	*			trans	94.5	120	162.7	-53.4	-168.4	-174	69.6	0	119.2
950	D	28.2	Very low	26.8	Very low	160 Å²	160	137.9 Å²	137.9	86%	0.856	79%	0.786	S	S	*	*			trans	60.7	153.4	138.8	-52.9	-27.3	0	0	0	121.6
951	G	26.4	Very low	26.9	Very low	75 Å²	75	136 Å²	136	77%	0.773	78%	0.784	S	S	*	*			trans	116.5	85.6	163	0	0	0	0	0	116.3	A953	G951-A953 PolarHBondContact O-N 3.41Å
952	V	23.3	Very low	26.8	Very low	157 Å²	157	138.3 Å²	138.3	95%	0.952	79%	0.793	S	S	*	*			trans	-76	108.5	162.6	176	0	0	0	0	109.4
953	A	27.4	Very low	26.8	Very low	82 Å²	82	141 Å²	141	68%	0.678	80%	0.799	S	S	*	*			trans	-146.8	100.7	165.8	0	0	0	0	0	109.5	G951	G951-A953 PolarHBondContact O-N 3.41Å
954	L	26.7	Very low	27.1	Very low	171 Å²	171	139.6 Å²	139.6	90%	0.895	79%	0.792	S	S	*	*				87.3	120.9	98.9	-79.5	173.9	0	0	0	114.3
955	L	22.6	Very low	26.9	Very low	173 Å²	173	140.3 Å²	140.3	91%	0.906	80%	0.796	S	S	*	*			trans	-61.3	135.8	166.2	-65	155.2	0	0	0	110
956	N	25.7	Very low	26.9	Very low	163 Å²	163	140.5 Å²	140.5	87%	0.872	80%	0.797	S	S	*	*			trans	-149.8	149.2	142.5	-140.6	-12.8	0	0	0	111.6
957	A	23.3	Very low	27	Very low	72 Å²	72	137.6 Å²	137.6	60%	0.595	80%	0.797	S	S	*	*			trans	-90.8	174.8	173.7	0	0	0	0	0	110.8
958	N	22.8	Very low	26.8	Very low	160 Å²	160	141.7 Å²	141.7	86%	0.856	80%	0.798	S	S	*	*			trans	76.2	75.2	174.3	-47.7	-28.4	0	0	0	116
959	A	28.4	Very low	26.8	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	80%	0.798	S	S	*	*			trans	-145.3	116.9	155.9	0	0	0	0	0	110
960	T	22.9	Very low	26.6	Very low	141 Å²	141	139.2 Å²	139.2	87%	0.865	81%	0.805	S	S	*	*			trans	-124.2	101.8	-178.8	-48.2	0	0	0	0	110
961	P	28.7	Very low	26.5	Very low	123 Å²	123	136.7 Å²	136.7	80%	0.799	79%	0.791	S	S	*	*			trans	-85.1	121.8	175.4	-4.6	23.2	0	0	0	110.9
962	R	24.2	Very low	26.4	Very low	235 Å²	235	138.7 Å²	138.7	89%	0.887	79%	0.788	S	S	*	*			trans	-78.5	152	150.9	-70	172.5	164.7	167.7	-6.8	108.1
963	L	27	Very low	26.6	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	78%	0.783	S	S	*	*			trans	-171.1	139.8	138.8	-104.2	162.6	0	0	0	112.5
964	D	30.9	Very low	26.5	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	78%	0.776	S	S	*	*			trans	17.4	138.9	165.6	-55.7	-17	0	0	0	124.1
965	V	27.3	Very low	26.7	Very low	129 Å²	129	134.6 Å²	134.6	78%	0.782	77%	0.767	S	S	*	*			trans	-102.7	120.6	167.8	175.1	0	0	0	0	107.7
966	D	28.6	Very low	26.9	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	76%	0.761	S	S	*	*			trans	-176.8	-16.1	157.2	-103	-18.6	0	0	0	115.1	Y968	D966-Y968 PolarHBondContact O-N 3.02Å
967	S	30.6	Very low	27.4	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	74%	0.741	S	S	*	*			trans	-92.2	20.6	-168.1	-66.3	0	0	0	0	117.5
968	Y	26.2	Very low	27.7	Very low	160 Å²	160	129 Å²	129	63%	0.627	73%	0.734	S	S	*	*			trans	-94.4	3.6	-167.7	-87.3	-76.1	0	0	0	117.3	D966 N970	D966-Y968 PolarHBondContact O-N 3.02Å; Y968-N970 VanDerWaalsContact C-N 3.32Å; Y968-N970 PolarHBondContact O-N 3.33Å; Y968-N970 VanDerWaalsContact O-N 3.16Å
969	S	29.1	Very low	28.5	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	3	-167.2	48.5	0	0	0	0	117.5
970	N	27.7	Very low	29.5	Very low	150 Å²	150	124.8 Å²	124.8	80%	0.802	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.5	21.9	-165.6	-86.7	-41.8	0	0	0	116.3	Y968	Y968-N970 VanDerWaalsContact C-N 3.32Å; Y968-N970 PolarHBondContact O-N 3.33Å; Y968-N970 VanDerWaalsContact O-N 3.16Å
971	L	27	Very low	30.8	Very low	107 Å²	107	123.1 Å²	123.1	56%	0.56	69%	0.693	S	S	*	*			trans	-118.5	125.6	-175	-67.1	176.6	0	0	0	114.2
972	T	24.1	Very low	32.1	Very low	117 Å²	117	122.3 Å²	122.3	72%	0.718	68%	0.678	S	S	*	*			trans	-74.7	150.7	179.9	37.4	0	0	0	0	113.6	T974	T972-T974 PolarHBondContact O-N 2.91Å
973	P	26.7	Very low	33.2	Very low	131 Å²	131	112.3 Å²	112.3	85%	0.851	65%	0.646	S	S	*	*	S	Bend	trans	-78.9	84.5	-177.2	32.5	-35.9	0	0	0	112
974	T	26.6	Very low	34.2	Very low	85 Å²	85	105.4 Å²	105.4	52%	0.521	61%	0.61	S	S	.	*			trans	-131.3	121	165.2	47.9	0	0	0	0	111	T972 L976	T972-T974 PolarHBondContact O-N 2.91Å; T974-L976 PolarHBondContact O-N 2.91Å
975	P	29.5	Very low	35.2	Very low	108 Å²	108	101.3 Å²	101.3	70%	0.701	59%	0.585	S	S	*	*			trans	-80	72.1	172	33.5	-33.7	0	0	0	109.8	V977	P975-V977 PolarHBondContact O-N 3.37Å; P975-V977 VanDerWaalsContact O-N 3.15Å
976	L	28.1	Very low	36.4	Very low	149 Å²	149	97.4 Å²	97.4	78%	0.78	57%	0.566	S	S	*	*			trans	-80.3	86.1	170.2	-78.8	163.6	0	0	0	109.6	T974 S978	T974-L976 PolarHBondContact O-N 2.91Å; L976-S978 PolarHBondContact O-N 2.99Å
977	V	35.3	Very low	37.4	Very low	76 Å²	76	92.9 Å²	92.9	46%	0.461	54%	0.541	S	S	.	.			trans	-60.2	129.4	154.6	171	0	0	0	0	107.1	P975 S979 E1020	P975-V977 PolarHBondContact O-N 3.37Å; P975-V977 VanDerWaalsContact O-N 3.15Å; V977-S979 PolarHBondContact O-N 3.04Å; V977-S979 VanDerWaalsContact O-N 3.13Å; V977-E1020 WeakPolarHBondContact CB-OE2 3.11Å; V977-E1020 WeakPolarHBondContact CG2-OE2 3.48Å
978	S	30.8	Very low	38.5	Very low	64 Å²	64	87.1 Å²	87.1	45%	0.448	50%	0.501	S	S	.	.			trans	-60.7	119.6	-176.9	-178.5	0	0	0	0	110	L976 S980	L976-S978 PolarHBondContact O-N 2.99Å; S978-S980 PolarHBondContact O-N 2.94Å; S978-S980 WeakPolarHBondContact OG-CB 3.24Å; S978-S980 PolarHBondContact OG-N 2.99Å; S978-S980 PolarHBondContact OG-OG 3.25Å
979	S	38.4	Very low	39.9	Very low	125 Å²	125	85.3 Å²	85.3	87%	0.874	49%	0.493	S	S	*	.			trans	-68.7	4.9	173.1	54.2	0	0	0	0	113.5	V977 K981	V977-S979 PolarHBondContact O-N 3.04Å; V977-S979 VanDerWaalsContact O-N 3.13Å; S979-K981 PolarHBondContact O-N 2.98Å
980	S	49.5	Very low	41	Very low	42 Å²	42	84.1 Å²	84.1	29%	0.294	48%	0.482	S	S	.	.			trans	-64.9	131.5	172.5	64.2	0	0	0	0	110.9	S978 E982 A983 V984	S978-S980 PolarHBondContact O-N 2.94Å; S978-S980 WeakPolarHBondContact OG-CB 3.24Å; S978-S980 PolarHBondContact OG-N 2.99Å; S978-S980 PolarHBondContact OG-OG 3.25Å; S980-E982 PolarHBondContact O-N 2.88Å; S980-E982 VanDerWaalsContact O-N 3.1Å; S980-A983 PolarHBondContact O-N 3.08Å; S980-A983 WeakPolarHBondContact OG-CB 3.36Å; S980-A983 PolarHBondContact OG-N 2.9Å; S980-V984 PolarHBondContact O-N 2.81Å
981	K	51.6	Low	42.2	Very low	105 Å²	105	77 Å²	77	46%	0.457	44%	0.443	S	S	.	.	H	α-helix	trans	-57.5	-26.6	176	-168.2	173.9	-170.2	167.2	0	111.4	S979 K985 F1095	S979-K981 PolarHBondContact O-N 2.98Å; K981-K985 WeakPolarHBondContact O-CB 3.17Å; K981-K985 WeakPolarHBondContact O-CD 3.12Å; K981-K985 WeakPolarHBondContact O-CG 3.42Å; K981-K985 PolarHBondContact O-N 3.42Å; K981-F1095 HydrophobicContact CD-CE1 4.27Å; K981-F1095 HydrophobicContact CD-CZ 4.42Å; K981-F1095 HydrophobicContact CG-CD1 4.47Å; K981-F1095 HydrophobicContact CG-CE1 3.74Å; K981-F1095 HydrophobicContact CG-CE2 4.12Å; K981-F1095 HydrophobicContact CG-CZ 3.55Å
982	E	54.2	Low	43.7	Very low	107 Å²	107	72.2 Å²	72.2	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-76.4	-43.2	-178.5	-72.7	51.3	-115.1	0	0	112.2	S980 K985 A986	S980-E982 PolarHBondContact O-N 2.88Å; S980-E982 VanDerWaalsContact O-N 3.1Å; E982-K985 PolarHBondContact O-N 3.05Å; E982-K985 IonicContact OE1-NZ 2.66Å; E982-K985 PolarHBondContact OE1-NZ 2.97Å; E982-A986 WeakPolarHBondContact O-CB 3.08Å; E982-A986 PolarHBondContact O-N 3.35Å
983	A	47.4	Very low	45.1	Very low	24 Å²	24	68.9 Å²	68.9	20%	0.198	40%	0.396	C	S	.	.	H	α-helix	trans	-63	-43.6	172.1	0	0	0	0	0	111.2	S980 A986 I987	S980-A983 PolarHBondContact O-N 3.08Å; S980-A983 WeakPolarHBondContact OG-CB 3.36Å; S980-A983 PolarHBondContact OG-N 2.9Å; A983-A986 PolarHBondContact O-N 3.35Å; A983-A986 VanDerWaalsContact O-N 3.16Å; A983-I987 WeakPolarHBondContact O-CG1 3.13Å; A983-I987 PolarHBondContact O-N 3.14Å
984	V	47.8	Very low	46.5	Very low	8 Å²	8	64.2 Å²	64.2	5%	0.048	37%	0.367	C	S	.	.	H	α-helix	trans	-58.7	-49.5	174.9	173.5	0	0	0	0	111.3	S980 A986 I987 V988 V1017 L1021 F1095	S980-V984 PolarHBondContact O-N 2.81Å; V984-A986 VanDerWaalsContact C-N 3.28Å; V984-A986 PolarHBondContact O-N 2.9Å; V984-I987 PolarHBondContact O-N 3.33Å; V984-V988 HydrophobicContact CG1-CG2 4.39Å; V984-V988 WeakPolarHBondContact O-CB 3.46Å; V984-V988 VanDerWaalsContact O-CG2 3.28Å; V984-V988 WeakPolarHBondContact O-CG2 3.25Å; V984-V988 PolarHBondContact O-N 3.32Å; V984-V1017 HydrophobicContact CG1-CG1 4.42Å; V984-L1021 HydrophobicContact CG1-CD1 3.65Å; V984-L1021 HydrophobicContact CG2-CD1 4.27Å; V984-L1021 HydrophobicContact CG2-CD2 3.98Å; V984-F1095 HydrophobicContact CB-CZ 4.4Å; V984-F1095 HydrophobicContact CG1-CE2 4.49Å; V984-F1095 HydrophobicContact CG1-CZ 3.9Å
985	K	53.6	Low	47.8	Very low	63 Å²	63	61.2 Å²	61.2	27%	0.274	35%	0.347	S	S	.	.	H	α-helix	trans	-55.3	-42.3	174.1	-78	160.7	178.4	169.6	0	112.1	K981 E982 R989 L1091 F1095	K981-K985 WeakPolarHBondContact O-CB 3.17Å; K981-K985 WeakPolarHBondContact O-CD 3.12Å; K981-K985 WeakPolarHBondContact O-CG 3.42Å; K981-K985 PolarHBondContact O-N 3.42Å; E982-K985 PolarHBondContact O-N 3.05Å; E982-K985 IonicContact OE1-NZ 2.66Å; E982-K985 PolarHBondContact OE1-NZ 2.97Å; K985-R989 WeakPolarHBondContact O-CB 3.4Å; K985-R989 WeakPolarHBondContact O-CD 3.48Å; K985-R989 VanDerWaalsContact O-CG 3.3Å; K985-R989 WeakPolarHBondContact O-CG 3.33Å; K985-R989 PolarHBondContact O-N 2.8Å; K985-L1091 HydrophobicContact CB-CD2 4.4Å; K985-L1091 HydrophobicContact CG-CD1 4.4Å; K985-L1091 HydrophobicContact CG-CD2 3.82Å; K985-F1095 HydrophobicContact CG-CE2 4.49Å
986	A	52	Low	49.1	Very low	47 Å²	47	57.8 Å²	57.8	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-47	-178.5	0	0	0	0	0	112	E982 A983 V984 R989 V990	E982-A986 WeakPolarHBondContact O-CB 3.08Å; E982-A986 PolarHBondContact O-N 3.35Å; A983-A986 PolarHBondContact O-N 3.35Å; A983-A986 VanDerWaalsContact O-N 3.16Å; V984-A986 VanDerWaalsContact C-N 3.28Å; V984-A986 PolarHBondContact O-N 2.9Å; A986-R989 PolarHBondContact O-N 3.29Å; A986-V990 WeakPolarHBondContact O-CB 3.42Å; A986-V990 VanDerWaalsContact O-CG2 3.3Å; A986-V990 WeakPolarHBondContact O-CG2 3.33Å; A986-V990 PolarHBondContact O-N 3.39Å
987	I	50.2	Low	50.6	Low	57 Å²	57	57.5 Å²	57.5	29%	0.292	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-43.8	178.3	-59.1	160.5	0	0	0	110.7	A983 V984 R989 V990 S991 V1017	A983-I987 WeakPolarHBondContact O-CG1 3.13Å; A983-I987 PolarHBondContact O-N 3.14Å; V984-I987 PolarHBondContact O-N 3.33Å; I987-R989 PolarHBondContact O-N 2.95Å; I987-V990 PolarHBondContact O-N 3.3Å; I987-S991 WeakPolarHBondContact O-CB 3.44Å; I987-S991 PolarHBondContact O-N 3.06Å; I987-S991 PolarHBondContact O-OG 3.19Å; I987-V1017 HydrophobicContact CB-CG2 4.47Å; I987-V1017 HydrophobicContact CD1-CG2 4.21Å; I987-V1017 HydrophobicContact CG2-CG2 3.87Å
988	V	53.7	Low	51.4	Low	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-50.8	175.2	165.1	0	0	0	0	110.7	V984 S991 V992 L1014 V1090 L1091 I1094	V984-V988 HydrophobicContact CG1-CG2 4.39Å; V984-V988 WeakPolarHBondContact O-CB 3.46Å; V984-V988 VanDerWaalsContact O-CG2 3.28Å; V984-V988 WeakPolarHBondContact O-CG2 3.25Å; V984-V988 PolarHBondContact O-N 3.32Å; V988-S991 PolarHBondContact O-N 2.93Å; V988-V992 HydrophobicContact CG1-CG2 4.32Å; V988-V992 WeakPolarHBondContact O-CB 3.43Å; V988-V992 VanDerWaalsContact O-CG2 3.3Å; V988-V992 WeakPolarHBondContact O-CG2 3.47Å; V988-V992 PolarHBondContact O-N 3.2Å; V988-L1014 HydrophobicContact CG2-CD2 4.2Å; V988-V1090 HydrophobicContact CG1-CB 4.13Å; V988-V1090 HydrophobicContact CG1-CG1 3.55Å; V988-V1090 HydrophobicContact CG2-CG1 4.41Å; V988-L1091 HydrophobicContact CB-CD2 4.44Å; V988-L1091 HydrophobicContact CG1-CD2 4.11Å; V988-L1091 HydrophobicContact CG1-CG 4.48Å; V988-I1094 HydrophobicContact CG2-CD1 3.79Å
989	R	54.7	Low	52.3	Low	121 Å²	121	54.7 Å²	54.7	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-57.4	-51.6	176.6	-82.7	167.6	168.4	178.8	-4	113.1	K985 A986 I987 S991 V992 D993 D1087	K985-R989 WeakPolarHBondContact O-CB 3.4Å; K985-R989 WeakPolarHBondContact O-CD 3.48Å; K985-R989 VanDerWaalsContact O-CG 3.3Å; K985-R989 WeakPolarHBondContact O-CG 3.33Å; K985-R989 PolarHBondContact O-N 2.8Å; A986-R989 PolarHBondContact O-N 3.29Å; I987-R989 PolarHBondContact O-N 2.95Å; R989-S991 PolarHBondContact O-N 3.34Å; R989-V992 PolarHBondContact O-N 2.77Å; R989-D993 WeakPolarHBondContact O-CB 3.38Å; R989-D993 PolarHBondContact O-N 3.3Å; R989-D1087 VanDerWaalsContact CG-OD1 3.23Å; R989-D1087 WeakPolarHBondContact CG-OD1 3.39Å; R989-D1087 WeakPolarHBondContact CG-OD2 3.43Å; R989-D1087 IonicContact CZ-OD2 2.66Å; R989-D1087 IonicContact NE-OD2 3.39Å; R989-D1087 PolarHBondContact NE-OD2 2.89Å; R989-D1087 IonicContact NH2-OD2 2.7Å; R989-D1087 PolarHBondContact NH2-OD2 3.16Å; R989-D1087 VanDerWaalsContact NH2-OD2 3.13Å
990	V	52.2	Low	52.7	Low	81 Å²	81	49.9 Å²	49.9	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-21.2	-177.6	167.8	0	0	0	0	112.3	A986 I987 K1010	A986-V990 WeakPolarHBondContact O-CB 3.42Å; A986-V990 VanDerWaalsContact O-CG2 3.3Å; A986-V990 WeakPolarHBondContact O-CG2 3.33Å; A986-V990 PolarHBondContact O-N 3.39Å; I987-V990 PolarHBondContact O-N 3.3Å; V990-K1010 PolarHBondContact O-NZ 2.86Å
991	S	53.1	Low	52.8	Low	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-87.7	-46.8	174.1	-55.4	0	0	0	0	112.6	I987 V988 R989 D993 C994 L995 L1014	I987-S991 WeakPolarHBondContact O-CB 3.44Å; I987-S991 PolarHBondContact O-N 3.06Å; I987-S991 PolarHBondContact O-OG 3.19Å; V988-S991 PolarHBondContact O-N 2.93Å; R989-S991 PolarHBondContact O-N 3.34Å; S991-D993 PolarHBondContact O-N 2.84Å; S991-C994 WeakPolarHBondContact O-CA 3.48Å; S991-C994 WeakPolarHBondContact O-CB 3.32Å; S991-C994 PolarHBondContact O-N 3.49Å; S991-L995 WeakPolarHBondContact O-CG 3.27Å; S991-L995 PolarHBondContact O-N 2.88Å; S991-L1014 VanDerWaalsContact CB-CD1 3.45Å; S991-L1014 VanDerWaalsContact CB-CG 3.45Å
992	V	57.4	Low	52.1	Low	7 Å²	7	50.8 Å²	50.8	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-56	-46.6	172.6	164.9	0	0	0	0	111.5	V988 R989 C994 L995 L996 V1086 V1090	V988-V992 HydrophobicContact CG1-CG2 4.32Å; V988-V992 WeakPolarHBondContact O-CB 3.43Å; V988-V992 VanDerWaalsContact O-CG2 3.3Å; V988-V992 WeakPolarHBondContact O-CG2 3.47Å; V988-V992 PolarHBondContact O-N 3.2Å; R989-V992 PolarHBondContact O-N 2.77Å; V992-C994 PolarHBondContact O-N 3.18Å; V992-L995 PolarHBondContact O-N 3.05Å; V992-L996 HydrophobicContact CG1-CD1 3.76Å; V992-L996 HydrophobicContact CG1-CG 4.31Å; V992-L996 WeakPolarHBondContact O-CB 3.42Å; V992-L996 VanDerWaalsContact O-CG 3.3Å; V992-L996 WeakPolarHBondContact O-CG 3.47Å; V992-L996 PolarHBondContact O-N 3.43Å; V992-V1086 HydrophobicContact CB-CG1 4.28Å; V992-V1086 HydrophobicContact CG1-CB 3.82Å; V992-V1086 HydrophobicContact CG1-CG1 3.49Å; V992-V1086 VanDerWaalsContact CG1-CG1 3.49Å; V992-V1086 HydrophobicContact CG2-CG1 3.72Å; V992-V1090 HydrophobicContact CG2-CG2 4.32Å
993	D	55.3	Low	51.6	Low	46 Å²	46	51 Å²	51	25%	0.246	29%	0.287	C	S	.	.	H	α-helix	trans	-55.7	-35.2	174.1	-97.5	-39.5	0	0	0	112.9	R989 S991 K997 K1083	R989-D993 WeakPolarHBondContact O-CB 3.38Å; R989-D993 PolarHBondContact O-N 3.3Å; S991-D993 PolarHBondContact O-N 2.84Å; D993-K997 WeakPolarHBondContact O-CB 3.28Å; D993-K997 VanDerWaalsContact O-CG 3.25Å; D993-K997 WeakPolarHBondContact O-CG 3.25Å; D993-K997 PolarHBondContact O-N 2.95Å; D993-K1083 WeakPolarHBondContact OD1-CD 3.43Å; D993-K1083 WeakPolarHBondContact OD1-CE 3.21Å; D993-K1083 IonicContact OD1-NZ 2.69Å; D993-K1083 PolarHBondContact OD1-NZ 3.27Å; D993-K1083 WeakPolarHBondContact OD2-CE 3.48Å; D993-K1083 IonicContact OD2-NZ 3.17Å; D993-K1083 PolarHBondContact OD2-NZ 3.26Å
994	C	55.4	Low	51.3	Low	34 Å²	34	52.7 Å²	52.7	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-78.4	-46.4	-177	-142.9	0	0	0	0	110.9	S991 V992 L996 K997 Q998 K1010	S991-C994 WeakPolarHBondContact O-CA 3.48Å; S991-C994 WeakPolarHBondContact O-CB 3.32Å; S991-C994 PolarHBondContact O-N 3.49Å; V992-C994 PolarHBondContact O-N 3.18Å; C994-L996 VanDerWaalsContact C-N 3.34Å; C994-L996 PolarHBondContact O-N 3.23Å; C994-K997 PolarHBondContact O-N 2.89Å; C994-Q998 WeakPolarHBondContact O-CB 3.36Å; C994-Q998 VanDerWaalsContact O-CG 3.28Å; C994-Q998 WeakPolarHBondContact O-CG 3.27Å; C994-Q998 PolarHBondContact O-N 2.94Å; C994-Q998 PolarHBondContact O-OE1 2.96Å; C994-K1010 HydrophobicContact CB-CB 4.19Å; C994-K1010 HydrophobicContact CB-CD 3.71Å; C994-K1010 HydrophobicContact CB-CG 3.78Å
995	L	54	Low	50.9	Low	22 Å²	22	54.4 Å²	54.4	12%	0.115	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-39.6	176.2	-62.8	176.6	0	0	0	111.5	S991 V992 Q998 L999 L1005 A1011 L1014	S991-L995 WeakPolarHBondContact O-CG 3.27Å; S991-L995 PolarHBondContact O-N 2.88Å; V992-L995 PolarHBondContact O-N 3.05Å; L995-Q998 PolarHBondContact O-N 2.95Å; L995-L999 WeakPolarHBondContact O-CB 3.25Å; L995-L999 PolarHBondContact O-N 3.19Å; L995-L1005 HydrophobicContact CB-CD2 4.19Å; L995-L1005 HydrophobicContact CD2-CD2 3.78Å; L995-A1011 HydrophobicContact CD2-CB 4.46Å; L995-L1014 HydrophobicContact CD1-CD1 3.6Å
996	L	56	Low	50.1	Low	36 Å²	36	58.5 Å²	58.5	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-43.7	174	-74.1	173.9	0	0	0	112.1	V992 C994 Q998 L999 A1000 V1082 K1083	V992-L996 HydrophobicContact CG1-CD1 3.76Å; V992-L996 HydrophobicContact CG1-CG 4.31Å; V992-L996 WeakPolarHBondContact O-CB 3.42Å; V992-L996 VanDerWaalsContact O-CG 3.3Å; V992-L996 WeakPolarHBondContact O-CG 3.47Å; V992-L996 PolarHBondContact O-N 3.43Å; C994-L996 VanDerWaalsContact C-N 3.34Å; C994-L996 PolarHBondContact O-N 3.23Å; L996-Q998 VanDerWaalsContact C-N 3.29Å; L996-Q998 PolarHBondContact O-N 2.87Å; L996-L999 PolarHBondContact O-N 3.41Å; L996-A1000 WeakPolarHBondContact O-CB 3.44Å; L996-A1000 PolarHBondContact O-N 3.3Å; L996-V1082 HydrophobicContact CD1-CG1 4.07Å; L996-V1082 HydrophobicContact CD2-CG1 3.59Å; L996-V1082 HydrophobicContact CG-CG1 4.5Å; L996-K1083 HydrophobicContact CD1-CB 4.22Å
997	K	59.8	Low	49.5	Very low	143 Å²	143	65 Å²	65	62%	0.622	34%	0.339	S	S	*	.	H	α-helix	trans	-64.6	-33.2	173.8	-76.1	173.1	-178.7	177.8	0	112.7	D993 C994 T1001	D993-K997 WeakPolarHBondContact O-CB 3.28Å; D993-K997 VanDerWaalsContact O-CG 3.25Å; D993-K997 WeakPolarHBondContact O-CG 3.25Å; D993-K997 PolarHBondContact O-N 2.95Å; C994-K997 PolarHBondContact O-N 2.89Å; K997-T1001 WeakPolarHBondContact O-CB 3.43Å; K997-T1001 WeakPolarHBondContact O-CG2 3.26Å; K997-T1001 PolarHBondContact O-N 2.86Å; K997-T1001 VanDerWaalsContact O-N 3.09Å; K997-T1001 PolarHBondContact O-OG1 2.66Å
998	Q	51.8	Low	49.1	Very low	28 Å²	28	63 Å²	63	13%	0.131	33%	0.329	C	S	.	.	H	α-helix	trans	-73.6	-41.1	177.8	-75	163.4	-35.5	0	0	111.4	C994 L995 L996 T1001 G1002 Q1003 T1008	C994-Q998 WeakPolarHBondContact O-CB 3.36Å; C994-Q998 VanDerWaalsContact O-CG 3.28Å; C994-Q998 WeakPolarHBondContact O-CG 3.27Å; C994-Q998 PolarHBondContact O-N 2.94Å; C994-Q998 PolarHBondContact O-OE1 2.96Å; L995-Q998 PolarHBondContact O-N 2.95Å; L996-Q998 VanDerWaalsContact C-N 3.29Å; L996-Q998 PolarHBondContact O-N 2.87Å; Q998-T1001 WeakPolarHBondContact CA-OG1 3.24Å; Q998-T1001 PolarHBondContact O-N 3.14Å; Q998-T1001 PolarHBondContact O-OG1 2.81Å; Q998-T1001 VanDerWaalsContact O-OG1 3.13Å; Q998-G1002 PolarHBondContact O-N 3.16Å; Q998-G1002 VanDerWaalsContact O-N 3.15Å; Q998-Q1003 HydrophobicContact CB-CB 4.21Å; Q998-Q1003 HydrophobicContact CG-CB 4.43Å; Q998-Q1003 PolarHBondContact O-N 3.3Å; Q998-T1008 VanDerWaalsContact CD-CG2 3.42Å; Q998-T1008 HydrophobicContact CG-CG2 4.33Å; Q998-T1008 VanDerWaalsContact NE2-CG2 3.33Å
999	L	49.5	Very low	48.7	Very low	52 Å²	52	67.4 Å²	67.4	27%	0.272	36%	0.358	S	S	.	.	H	α-helix	trans	-57.7	-49.6	166.9	-88.7	155.7	0	0	0	112.1	L995 L996 T1001 G1002 L1005 L1070	L995-L999 WeakPolarHBondContact O-CB 3.25Å; L995-L999 PolarHBondContact O-N 3.19Å; L996-L999 PolarHBondContact O-N 3.41Å; L999-T1001 PolarHBondContact O-N 2.89Å; L999-G1002 PolarHBondContact O-N 3.4Å; L999-L1005 HydrophobicContact CD1-CD1 4.42Å; L999-L1005 HydrophobicContact CD1-CD2 4.49Å; L999-L1005 HydrophobicContact CD2-CD1 4.29Å; L999-L1005 HydrophobicContact CG-CD1 4.17Å; L999-L1005 HydrophobicContact CG-CD2 4.24Å; L999-L1005 HydrophobicContact CG-CG 4.49Å; L999-L1070 HydrophobicContact CD2-CD1 4.09Å
1000	A	48.1	Very low	48.6	Very low	25 Å²	25	63.6 Å²	63.6	21%	0.207	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-24.7	-178.9	0	0	0	0	0	114.1	L996 S1072 I1075	L996-A1000 WeakPolarHBondContact O-CB 3.44Å; L996-A1000 PolarHBondContact O-N 3.3Å; A1000-S1072 PolarHBondContact O-OG 3.43Å; A1000-I1075 HydrophobicContact CB-CG2 4.28Å
1001	T	52	Low	48.3	Very low	97 Å²	97	61.1 Å²	61.1	60%	0.595	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1.4	174	50.5	0	0	0	0	113.7	K997 Q998 L999 Q1003	K997-T1001 WeakPolarHBondContact O-CB 3.43Å; K997-T1001 WeakPolarHBondContact O-CG2 3.26Å; K997-T1001 PolarHBondContact O-N 2.86Å; K997-T1001 VanDerWaalsContact O-N 3.09Å; K997-T1001 PolarHBondContact O-OG1 2.66Å; Q998-T1001 WeakPolarHBondContact CA-OG1 3.24Å; Q998-T1001 PolarHBondContact O-N 3.14Å; Q998-T1001 PolarHBondContact O-OG1 2.81Å; Q998-T1001 VanDerWaalsContact O-OG1 3.13Å; L999-T1001 PolarHBondContact O-N 2.89Å; T1001-Q1003 PolarHBondContact O-N 3.44Å
1002	G	35.5	Very low	48	Very low	68 Å²	68	63.1 Å²	63.1	70%	0.701	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	17.6	-177.5	0	0	0	0	0	114.1	Q998 L999	Q998-G1002 PolarHBondContact O-N 3.16Å; Q998-G1002 VanDerWaalsContact O-N 3.15Å; L999-G1002 PolarHBondContact O-N 3.4Å
1003	Q	44.3	Very low	47.7	Very low	112 Å²	112	66.6 Å²	66.6	52%	0.523	37%	0.365	S	S	.	.			trans	-73.5	142.7	178.5	-74.5	-166	-8.8	0	0	111.8	Q998 T1001 L1005	Q998-Q1003 HydrophobicContact CB-CB 4.21Å; Q998-Q1003 HydrophobicContact CG-CB 4.43Å; Q998-Q1003 PolarHBondContact O-N 3.3Å; T1001-Q1003 PolarHBondContact O-N 3.44Å; Q1003-L1005 PolarHBondContact O-N 3.41Å
1004	S	40.6	Very low	47.6	Very low	59 Å²	59	65.3 Å²	65.3	41%	0.413	36%	0.358	S	S	.	.			trans	-61.7	100.1	173.7	-179.3	0	0	0	0	110.8	W1006 K1007	S1004-W1006 PolarHBondContact O-N 3.01Å; S1004-W1006 VanDerWaalsContact OG-CD1 3.24Å; S1004-K1007 PolarHBondContact O-N 3.25Å
1005	L	40.4	Very low	47.2	Very low	45 Å²	45	64.8 Å²	64.8	24%	0.236	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-46.4	-36.9	174.1	-69.6	166.1	0	0	0	111.9	L995 L999 Q1003 K1007 T1008	L995-L1005 HydrophobicContact CB-CD2 4.19Å; L995-L1005 HydrophobicContact CD2-CD2 3.78Å; L999-L1005 HydrophobicContact CD1-CD1 4.42Å; L999-L1005 HydrophobicContact CD1-CD2 4.49Å; L999-L1005 HydrophobicContact CD2-CD1 4.29Å; L999-L1005 HydrophobicContact CG-CD1 4.17Å; L999-L1005 HydrophobicContact CG-CD2 4.24Å; L999-L1005 HydrophobicContact CG-CG 4.49Å; Q1003-L1005 PolarHBondContact O-N 3.41Å; L1005-K1007 PolarHBondContact O-N 3.08Å; L1005-T1008 WeakPolarHBondContact O-CB 3.47Å; L1005-T1008 WeakPolarHBondContact O-CG2 3.21Å; L1005-T1008 PolarHBondContact O-N 3.12Å; L1005-T1008 VanDerWaalsContact O-N 3.09Å; L1005-T1008 PolarHBondContact O-OG1 2.93Å
1006	W	36.7	Very low	47	Very low	148 Å²	148	68.9 Å²	68.9	56%	0.561	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-56.3	-11.5	177.3	-41.6	88.2	0	0	0	115.8	S1004 F1041	S1004-W1006 PolarHBondContact O-N 3.01Å; S1004-W1006 VanDerWaalsContact OG-CD1 3.24Å; W1006-F1041 AromaticContact CH2-CE2 3.57Å; W1006-F1041 HydrophobicContact CH2-CE2 3.57Å; W1006-F1041 AromaticContact CH2-CZ 3.97Å; W1006-F1041 HydrophobicContact CH2-CZ 3.97Å; W1006-F1041 AromaticContact CZ2-CE2 3.68Å; W1006-F1041 HydrophobicContact CZ2-CE2 3.68Å; W1006-F1041 AromaticContact CZ2-CZ 3.64Å; W1006-F1041 HydrophobicContact CZ2-CZ 3.64Å; W1006-F1041 HydrophobicContact CZ3-CE2 4.34Å
1007	K	39.4	Very low	47	Very low	184 Å²	184	68 Å²	68	80%	0.8	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-111.8	13.9	177.4	-67.9	-164.7	172.5	-168.5	0	114	S1004 L1005	S1004-K1007 PolarHBondContact O-N 3.25Å; L1005-K1007 PolarHBondContact O-N 3.08Å
1008	T	41.3	Very low	46.5	Very low	14 Å²	14	62.8 Å²	62.8	9%	0.086	35%	0.348	C	S	.	.			trans	-108.9	121.4	-165.7	70.2	0	0	0	0	112.5	Q998 L1005 K1010 A1011	Q998-T1008 VanDerWaalsContact CD-CG2 3.42Å; Q998-T1008 HydrophobicContact CG-CG2 4.33Å; Q998-T1008 VanDerWaalsContact NE2-CG2 3.33Å; L1005-T1008 WeakPolarHBondContact O-CB 3.47Å; L1005-T1008 WeakPolarHBondContact O-CG2 3.21Å; L1005-T1008 PolarHBondContact O-N 3.12Å; L1005-T1008 VanDerWaalsContact O-N 3.09Å; L1005-T1008 PolarHBondContact O-OG1 2.93Å; T1008-K1010 PolarHBondContact O-N 3Å; T1008-K1010 VanDerWaalsContact O-N 3.15Å; T1008-A1011 PolarHBondContact O-N 3.01Å; T1008-A1011 VanDerWaalsContact O-N 3.13Å
1009	P	44.9	Very low	46.4	Very low	94 Å²	94	62.2 Å²	62.2	61%	0.61	35%	0.347	S	S	*	.	H	α-helix	trans	-65.1	-21.4	-177.9	25.2	-34	0	0	0	113	A1011 A1012 E1013	P1009-A1011 VanDerWaalsContact C-N 3.25Å; P1009-A1011 PolarHBondContact O-N 2.9Å; P1009-A1012 CarbonylContact O-C 3.57Å; P1009-A1012 WeakPolarHBondContact O-CA 3.38Å; P1009-A1012 WeakPolarHBondContact O-CB 3.22Å; P1009-A1012 PolarHBondContact O-N 3.3Å; P1009-E1013 PolarHBondContact O-N 3.03Å
1010	K	52.8	Low	46.4	Very low	40 Å²	40	62.9 Å²	62.9	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-26.8	174.4	-76	-90.6	168.1	102.3	0	114.1	V990 C994 T1008 E1013 L1014	V990-K1010 PolarHBondContact O-NZ 2.86Å; C994-K1010 HydrophobicContact CB-CB 4.19Å; C994-K1010 HydrophobicContact CB-CD 3.71Å; C994-K1010 HydrophobicContact CB-CG 3.78Å; T1008-K1010 PolarHBondContact O-N 3Å; T1008-K1010 VanDerWaalsContact O-N 3.15Å; K1010-E1013 WeakPolarHBondContact CD-OE2 3.44Å; K1010-E1013 WeakPolarHBondContact CE-OE2 3.23Å; K1010-L1014 PolarHBondContact O-N 3.38Å
1011	A	47	Very low	46.6	Very low	29 Å²	29	65.2 Å²	65.2	24%	0.24	36%	0.357	C	S	.	.	H	α-helix	trans	-69.5	-39.5	169.9	0	0	0	0	0	111.2	L995 T1008 P1009 L1014 Y1015	L995-A1011 HydrophobicContact CD2-CB 4.46Å; T1008-A1011 PolarHBondContact O-N 3.01Å; T1008-A1011 VanDerWaalsContact O-N 3.13Å; P1009-A1011 VanDerWaalsContact C-N 3.25Å; P1009-A1011 PolarHBondContact O-N 2.9Å; A1011-L1014 PolarHBondContact O-N 2.79Å; A1011-Y1015 PolarHBondContact O-N 3.2Å
1012	A	45.7	Very low	46.4	Very low	42 Å²	42	62.7 Å²	62.7	35%	0.347	34%	0.344	S	S	.	.	H	α-helix	trans	-69.3	-35.2	174.8	0	0	0	0	0	112.4	P1009 L1014 Y1015 F1016	P1009-A1012 CarbonylContact O-C 3.57Å; P1009-A1012 WeakPolarHBondContact O-CA 3.38Å; P1009-A1012 WeakPolarHBondContact O-CB 3.22Å; P1009-A1012 PolarHBondContact O-N 3.3Å; A1012-L1014 PolarHBondContact O-N 2.94Å; A1012-Y1015 WeakPolarHBondContact O-CB 3.26Å; A1012-Y1015 PolarHBondContact O-N 3.41Å; A1012-F1016 HydrophobicContact CB-CE2 4.48Å; A1012-F1016 WeakPolarHBondContact O-CD2 3.33Å; A1012-F1016 PolarHBondContact O-N 3.33Å
1013	E	50.7	Low	46.7	Very low	81 Å²	81	66.6 Å²	66.6	38%	0.379	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-45.5	171.7	-71	172.1	-166	0	0	111.6	P1009 K1010 F1016 V1017	P1009-E1013 PolarHBondContact O-N 3.03Å; K1010-E1013 WeakPolarHBondContact CD-OE2 3.44Å; K1010-E1013 WeakPolarHBondContact CE-OE2 3.23Å; E1013-F1016 PolarHBondContact O-N 3.21Å; E1013-V1017 WeakPolarHBondContact O-CG2 3.3Å; E1013-V1017 PolarHBondContact O-N 3.37Å; E1013-V1017 VanDerWaalsContact O-N 3.08Å
1014	L	53	Low	46.5	Very low	19 Å²	19	64.2 Å²	64.2	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-65.4	-39	174.2	-84.2	164.5	0	0	0	112.8	V988 S991 L995 K1010 A1011 A1012 V1017 A1018 F1036	V988-L1014 HydrophobicContact CG2-CD2 4.2Å; S991-L1014 VanDerWaalsContact CB-CD1 3.45Å; S991-L1014 VanDerWaalsContact CB-CG 3.45Å; L995-L1014 HydrophobicContact CD1-CD1 3.6Å; K1010-L1014 PolarHBondContact O-N 3.38Å; A1011-L1014 PolarHBondContact O-N 2.79Å; A1012-L1014 PolarHBondContact O-N 2.94Å; L1014-V1017 PolarHBondContact O-N 3.19Å; L1014-A1018 WeakPolarHBondContact O-CB 3.41Å; L1014-A1018 PolarHBondContact O-N 3.4Å; L1014-F1036 HydrophobicContact CB-CE1 4.27Å; L1014-F1036 HydrophobicContact CB-CZ 3.99Å
1015	Y	48.5	Very low	46.5	Very low	22 Å²	22	72.6 Å²	72.6	9%	0.086	36%	0.36	C	S	.	.	H	α-helix	trans	-57.7	-50	173	172.3	-76.7	0	0	0	111	A1011 A1012 V1017 A1018 C1019 F1032 D1033 F1036	A1011-Y1015 PolarHBondContact O-N 3.2Å; A1012-Y1015 WeakPolarHBondContact O-CB 3.26Å; A1012-Y1015 PolarHBondContact O-N 3.41Å; Y1015-V1017 PolarHBondContact O-N 3Å; Y1015-A1018 PolarHBondContact O-N 2.86Å; Y1015-C1019 WeakPolarHBondContact O-CB 3.35Å; Y1015-C1019 PolarHBondContact O-N 3.33Å; Y1015-C1019 PolarHBondContact O-SG 3.21Å; Y1015-F1032 HydrophobicContact CD2-CD1 4.16Å; Y1015-F1032 HydrophobicContact CE2-CB 4.27Å; Y1015-F1032 AromaticContact CE2-CD1 3.51Å; Y1015-F1032 HydrophobicContact CE2-CD1 3.51Å; Y1015-F1032 HydrophobicContact CE2-CE1 4.33Å; Y1015-F1032 HydrophobicContact CE2-CG 4.31Å; Y1015-F1032 AromaticContact CZ-CD1 3.93Å; Y1015-D1033 HydrophobicContact CE2-CB 4.47Å; Y1015-F1036 HydrophobicContact CD2-CB 3.87Å; Y1015-F1036 AromaticContact CD2-CD1 3.91Å; Y1015-F1036 HydrophobicContact CD2-CD1 3.91Å; Y1015-F1036 AromaticContact CD2-CG 3.9Å; Y1015-F1036 HydrophobicContact CD2-CG 3.9Å; Y1015-F1036 HydrophobicContact CE2-CB 4.42Å; Y1015-F1036 HydrophobicContact CG-CD1 4.33Å
1016	F	49.5	Very low	46.3	Very low	109 Å²	109	79.2 Å²	79.2	48%	0.478	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-42.4	-179.2	-78.1	-62.9	0	0	0	112.1	A1012 E1013 A1018 C1019 E1020	A1012-F1016 HydrophobicContact CB-CE2 4.48Å; A1012-F1016 WeakPolarHBondContact O-CD2 3.33Å; A1012-F1016 PolarHBondContact O-N 3.33Å; E1013-F1016 PolarHBondContact O-N 3.21Å; F1016-A1018 VanDerWaalsContact C-N 3.35Å; F1016-A1018 PolarHBondContact O-N 2.91Å; F1016-C1019 PolarHBondContact O-N 3.49Å; F1016-E1020 PolarHBondContact O-N 3.13Å
1017	V	54.5	Low	46.4	Very low	17 Å²	17	74.8 Å²	74.8	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-40.2	174.6	170.8	0	0	0	0	111.6	V984 I987 E1013 L1014 Y1015 L1021	V984-V1017 HydrophobicContact CG1-CG1 4.42Å; I987-V1017 HydrophobicContact CB-CG2 4.47Å; I987-V1017 HydrophobicContact CD1-CG2 4.21Å; I987-V1017 HydrophobicContact CG2-CG2 3.87Å; E1013-V1017 WeakPolarHBondContact O-CG2 3.3Å; E1013-V1017 PolarHBondContact O-N 3.37Å; E1013-V1017 VanDerWaalsContact O-N 3.08Å; L1014-V1017 PolarHBondContact O-N 3.19Å; Y1015-V1017 PolarHBondContact O-N 3Å; V1017-L1021 HydrophobicContact CG1-CD1 3.58Å; V1017-L1021 HydrophobicContact CG1-CG 4.32Å; V1017-L1021 WeakPolarHBondContact O-CB 3.47Å; V1017-L1021 WeakPolarHBondContact O-CD1 3.23Å; V1017-L1021 WeakPolarHBondContact O-CG 3.26Å; V1017-L1021 PolarHBondContact O-N 3.48Å
1018	A	51.3	Low	46.5	Very low	33 Å²	33	71.9 Å²	71.9	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-66.6	-41	176.3	0	0	0	0	0	112.7	L1014 Y1015 F1016 S1022 F1036	L1014-A1018 WeakPolarHBondContact O-CB 3.41Å; L1014-A1018 PolarHBondContact O-N 3.4Å; Y1015-A1018 PolarHBondContact O-N 2.86Å; F1016-A1018 VanDerWaalsContact C-N 3.35Å; F1016-A1018 PolarHBondContact O-N 2.91Å; A1018-S1022 VanDerWaalsContact O-CB 3.32Å; A1018-S1022 WeakPolarHBondContact O-CB 3.21Å; A1018-S1022 PolarHBondContact O-N 3.06Å; A1018-S1022 PolarHBondContact O-OG 2.75Å; A1018-F1036 HydrophobicContact CB-CD2 4.44Å; A1018-F1036 HydrophobicContact CB-CE2 3.68Å; A1018-F1036 HydrophobicContact CB-CZ 4.35Å
1019	C	48.2	Very low	46.7	Very low	16 Å²	16	75 Å²	75	11%	0.108	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-41.7	175.8	-72.6	0	0	0	0	112.4	Y1015 F1016 S1022 H1024 F1032	Y1015-C1019 WeakPolarHBondContact O-CB 3.35Å; Y1015-C1019 PolarHBondContact O-N 3.33Å; Y1015-C1019 PolarHBondContact O-SG 3.21Å; F1016-C1019 PolarHBondContact O-N 3.49Å; C1019-S1022 PolarHBondContact O-OG 3.21Å; C1019-S1022 VanDerWaalsContact O-OG 3.08Å; C1019-H1024 PolarHBondContact O-N 3.21Å; C1019-F1032 VanDerWaalsContact SG-CE1 3.6Å
1020	E	51.1	Low	46.6	Very low	67 Å²	67	78 Å²	78	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-75.3	-36.1	179.7	-68.5	-174.6	171.2	0	0	112.6	V977 F1016 N1023 R1026	V977-E1020 WeakPolarHBondContact CB-OE2 3.11Å; V977-E1020 WeakPolarHBondContact CG2-OE2 3.48Å; F1016-E1020 PolarHBondContact O-N 3.13Å; E1020-N1023 PolarHBondContact O-N 3.28Å; E1020-R1026 IonicContact OE1-CZ 3.7Å; E1020-R1026 IonicContact OE1-NE 2.66Å; E1020-R1026 IonicContact OE1-NH2 3.44Å; E1020-R1026 PolarHBondContact OE1-NH2 3.36Å
1021	L	51.3	Low	46.4	Very low	73 Å²	73	79 Å²	79	38%	0.382	41%	0.409	S	S	.	.	H	α-helix	trans	-70.5	-28.3	175.5	-71.5	170.1	0	0	0	113.9	V984 V1017 N1023 I1094	V984-L1021 HydrophobicContact CG1-CD1 3.65Å; V984-L1021 HydrophobicContact CG2-CD1 4.27Å; V984-L1021 HydrophobicContact CG2-CD2 3.98Å; V1017-L1021 HydrophobicContact CG1-CD1 3.58Å; V1017-L1021 HydrophobicContact CG1-CG 4.32Å; V1017-L1021 WeakPolarHBondContact O-CB 3.47Å; V1017-L1021 WeakPolarHBondContact O-CD1 3.23Å; V1017-L1021 WeakPolarHBondContact O-CG 3.26Å; V1017-L1021 PolarHBondContact O-N 3.48Å; L1021-N1023 VanDerWaalsContact C-N 3.26Å; L1021-N1023 PolarHBondContact O-N 3.34Å; L1021-I1094 HydrophobicContact CD1-CG2 3.91Å
1022	S	47.1	Very low	46.1	Very low	44 Å²	44	80.5 Å²	80.5	31%	0.308	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	1	178.7	54.3	0	0	0	0	113.9	A1018 C1019 H1024	A1018-S1022 VanDerWaalsContact O-CB 3.32Å; A1018-S1022 WeakPolarHBondContact O-CB 3.21Å; A1018-S1022 PolarHBondContact O-N 3.06Å; A1018-S1022 PolarHBondContact O-OG 2.75Å; C1019-S1022 PolarHBondContact O-OG 3.21Å; C1019-S1022 VanDerWaalsContact O-OG 3.08Å; S1022-H1024 PolarHBondContact O-N 2.75Å; S1022-H1024 PolarHBondContact O-ND1 2.82Å
1023	N	41.9	Very low	46	Very low	151 Å²	151	80.9 Å²	80.9	81%	0.807	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	19.4	-170.8	-69.7	-71.9	0	0	0	113.8	E1020 L1021 R1025	E1020-N1023 PolarHBondContact O-N 3.28Å; L1021-N1023 VanDerWaalsContact C-N 3.26Å; L1021-N1023 PolarHBondContact O-N 3.34Å; N1023-R1025 PolarHBondContact O-N 2.83Å
1024	H	41.4	Very low	45.8	Very low	62 Å²	62	82.3 Å²	82.3	29%	0.287	41%	0.413	S	S	.	.			trans	-76.8	126.1	-177.3	-83	34.8	0	0	0	109.9	C1019 S1022 R1026 W1111	C1019-H1024 PolarHBondContact O-N 3.21Å; S1022-H1024 PolarHBondContact O-N 2.75Å; S1022-H1024 PolarHBondContact O-ND1 2.82Å; H1024-R1026 PolarHBondContact O-N 3.24Å; H1024-W1111 AromaticContact CD2-NE1 3.46Å; H1024-W1111 PolarHBondContact CD2-NE1 3.32Å; H1024-W1111 AromaticContact NE2-CD1 3.82Å; H1024-W1111 AromaticContact NE2-NE1 3.09Å; H1024-W1111 PolarHBondContact NE2-NE1 2.89Å
1025	R	40.6	Very low	45.5	Very low	235 Å²	235	83.7 Å²	83.7	89%	0.887	42%	0.42	S	S	*	.			trans	-59.6	128.9	177.3	-74.7	-175.2	172.9	-172.8	-1.3	109	N1023 G1027	N1023-R1025 PolarHBondContact O-N 2.83Å; R1025-G1027 PolarHBondContact O-N 3.03Å
1026	R	36.2	Very low	45.5	Very low	184 Å²	184	83.7 Å²	83.7	69%	0.694	42%	0.421	S	S	*	.			trans	-56.7	106.2	174.2	-64.1	-179.7	-179.7	-172.2	-0.1	109.4	E1020 H1024	E1020-R1026 IonicContact OE1-CZ 3.7Å; E1020-R1026 IonicContact OE1-NE 2.66Å; E1020-R1026 IonicContact OE1-NH2 3.44Å; E1020-R1026 PolarHBondContact OE1-NH2 3.36Å; H1024-R1026 PolarHBondContact O-N 3.24Å
1027	G	38.4	Very low	45.5	Very low	55 Å²	55	82.8 Å²	82.8	57%	0.567	41%	0.414	S	S	*	.			trans	-132.8	124.4	178.5	0	0	0	0	0	110.4	R1025	R1025-G1027 PolarHBondContact O-N 3.03Å
1028	N	42	Very low	45.4	Very low	122 Å²	122	86.3 Å²	86.3	65%	0.652	43%	0.432	S	S	*	.			trans	8.8	116.1	175.4	-56.9	16.4	0	0	0	117.9	H920	H920-N1028 PolarHBondContact NE2-OD1 2.84Å
1029	S	45.4	Very low	45.5	Very low	81 Å²	81	87.8 Å²	87.8	57%	0.566	43%	0.433	S	S	*	.	S	Bend	trans	-109.1	70.4	-152.4	57.9	0	0	0	0	115.5
1030	E	42.8	Very low	45.7	Very low	155 Å²	155	88.9 Å²	88.9	72%	0.724	44%	0.437	S	S	*	.	S	Bend	trans	-123.5	-44.8	161	-70.1	-172.8	157.5	0	0	111.2	D1033 H1034	E1030-D1033 VanDerWaalsContact O-CB 3.27Å; E1030-D1033 WeakPolarHBondContact O-CB 3.36Å; E1030-D1033 PolarHBondContact O-N 3.15Å; E1030-H1034 PolarHBondContact O-CD2 2.96Å; E1030-H1034 VanDerWaalsContact O-CD2 3.23Å; E1030-H1034 PolarHBondContact O-N 3.18Å
1031	Q	46.8	Very low	45.6	Very low	61 Å²	61	89.7 Å²	89.7	29%	0.285	44%	0.44	S	S	.	.	H	α-helix	trans	-74.4	-37.9	-174.5	-56.5	-171.3	45.7	0	0	112.8	D1033 H1034 L1035 R1117	Q1031-D1033 PolarHBondContact O-N 3.31Å; Q1031-H1034 WeakPolarHBondContact O-CB 3.14Å; Q1031-H1034 PolarHBondContact O-N 3Å; Q1031-L1035 WeakPolarHBondContact O-CD1 3.08Å; Q1031-L1035 WeakPolarHBondContact O-CG 3.34Å; Q1031-L1035 PolarHBondContact O-N 3.3Å; Q1031-L1035 VanDerWaalsContact O-N 3.09Å; Q1031-R1117 VanDerWaalsContact CD-NH1 3.29Å; Q1031-R1117 VanDerWaalsContact NE2-CZ 3.27Å; Q1031-R1117 VanDerWaalsContact OE1-CD 3.25Å
1032	F	40.9	Very low	45.6	Very low	62 Å²	62	90.6 Å²	90.6	27%	0.272	45%	0.445	S	S	.	.	H	α-helix	trans	-63.8	-27	171.1	-154.5	-76.7	0	0	0	111.7	Y1015 C1019 L1035 F1036	Y1015-F1032 HydrophobicContact CD2-CD1 4.16Å; Y1015-F1032 HydrophobicContact CE2-CB 4.27Å; Y1015-F1032 AromaticContact CE2-CD1 3.51Å; Y1015-F1032 HydrophobicContact CE2-CD1 3.51Å; Y1015-F1032 HydrophobicContact CE2-CE1 4.33Å; Y1015-F1032 HydrophobicContact CE2-CG 4.31Å; Y1015-F1032 AromaticContact CZ-CD1 3.93Å; C1019-F1032 VanDerWaalsContact SG-CE1 3.6Å; F1032-L1035 PolarHBondContact O-N 3.05Å; F1032-F1036 HydrophobicContact CD1-CB 4.35Å; F1032-F1036 VanDerWaalsContact O-CB 3.25Å; F1032-F1036 WeakPolarHBondContact O-CB 3.42Å; F1032-F1036 PolarHBondContact O-N 3.08Å
1033	D	44.6	Very low	45.9	Very low	49 Å²	49	90 Å²	90	26%	0.262	44%	0.438	S	S	.	.	H	α-helix	trans	-68.9	-39.8	176.7	-153.2	75.7	0	0	0	111	Y1015 E1030 Q1031 R1037	Y1015-D1033 HydrophobicContact CE2-CB 4.47Å; E1030-D1033 VanDerWaalsContact O-CB 3.27Å; E1030-D1033 WeakPolarHBondContact O-CB 3.36Å; E1030-D1033 PolarHBondContact O-N 3.15Å; Q1031-D1033 PolarHBondContact O-N 3.31Å; D1033-R1037 WeakPolarHBondContact O-CB 3.21Å; D1033-R1037 WeakPolarHBondContact O-CD 3.42Å; D1033-R1037 WeakPolarHBondContact O-CG 3.23Å; D1033-R1037 PolarHBondContact O-N 3.05Å; D1033-R1037 IonicContact OD2-CZ 3.2Å; D1033-R1037 IonicContact OD2-NE 2.63Å; D1033-R1037 PolarHBondContact OD2-NE 3.28Å; D1033-R1037 IonicContact OD2-NH2 2.9Å; D1033-R1037 PolarHBondContact OD2-NH2 3.29Å
1034	H	46.3	Very low	46.3	Very low	112 Å²	112	85.2 Å²	85.2	52%	0.519	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-50.9	168.3	-67.2	-70.7	0	0	0	112	E1030 Q1031 F1036 R1037 D1038	E1030-H1034 PolarHBondContact O-CD2 2.96Å; E1030-H1034 VanDerWaalsContact O-CD2 3.23Å; E1030-H1034 PolarHBondContact O-N 3.18Å; Q1031-H1034 WeakPolarHBondContact O-CB 3.14Å; Q1031-H1034 PolarHBondContact O-N 3Å; H1034-F1036 VanDerWaalsContact C-N 3.31Å; H1034-F1036 PolarHBondContact O-N 3.1Å; H1034-R1037 CarbonylContact O-C 3.48Å; H1034-R1037 WeakPolarHBondContact O-CA 3.38Å; H1034-R1037 WeakPolarHBondContact O-CB 3.33Å; H1034-R1037 PolarHBondContact O-N 3.31Å; H1034-R1037 VanDerWaalsContact O-N 3.12Å; H1034-D1038 VanDerWaalsContact O-CG 3.26Å; H1034-D1038 PolarHBondContact O-N 2.87Å
1035	L	47.4	Very low	46.6	Very low	48 Å²	48	85.8 Å²	85.8	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-31.3	-176.6	-67.6	157.6	0	0	0	113.4	Q1031 F1032 F1039	Q1031-L1035 WeakPolarHBondContact O-CD1 3.08Å; Q1031-L1035 WeakPolarHBondContact O-CG 3.34Å; Q1031-L1035 PolarHBondContact O-N 3.3Å; Q1031-L1035 VanDerWaalsContact O-N 3.09Å; F1032-L1035 PolarHBondContact O-N 3.05Å; L1035-F1039 WeakPolarHBondContact O-CB 3.25Å; L1035-F1039 PolarHBondContact O-N 3.45Å
1036	F	48.2	Very low	47.1	Very low	22 Å²	22	77.4 Å²	77.4	10%	0.096	39%	0.388	C	S	.	.	H	α-helix	trans	-75.7	-34.2	173.4	-170.6	-104.4	0	0	0	112.3	L1014 Y1015 A1018 F1032 H1034 F1039 I1040	L1014-F1036 HydrophobicContact CB-CE1 4.27Å; L1014-F1036 HydrophobicContact CB-CZ 3.99Å; Y1015-F1036 HydrophobicContact CD2-CB 3.87Å; Y1015-F1036 AromaticContact CD2-CD1 3.91Å; Y1015-F1036 HydrophobicContact CD2-CD1 3.91Å; Y1015-F1036 AromaticContact CD2-CG 3.9Å; Y1015-F1036 HydrophobicContact CD2-CG 3.9Å; Y1015-F1036 HydrophobicContact CE2-CB 4.42Å; Y1015-F1036 HydrophobicContact CG-CD1 4.33Å; A1018-F1036 HydrophobicContact CB-CD2 4.44Å; A1018-F1036 HydrophobicContact CB-CE2 3.68Å; A1018-F1036 HydrophobicContact CB-CZ 4.35Å; F1032-F1036 HydrophobicContact CD1-CB 4.35Å; F1032-F1036 VanDerWaalsContact O-CB 3.25Å; F1032-F1036 WeakPolarHBondContact O-CB 3.42Å; F1032-F1036 PolarHBondContact O-N 3.08Å; H1034-F1036 VanDerWaalsContact C-N 3.31Å; H1034-F1036 PolarHBondContact O-N 3.1Å; F1036-F1039 HydrophobicContact CD2-CD1 4.41Å; F1036-F1039 HydrophobicContact CE2-CD1 4.24Å; F1036-F1039 PolarHBondContact O-N 3.31Å; F1036-I1040 HydrophobicContact CD1-CD1 4.05Å; F1036-I1040 HydrophobicContact CE1-CD1 3.41Å; F1036-I1040 VanDerWaalsContact CE1-CD1 3.41Å; F1036-I1040 HydrophobicContact CE1-CG1 4.21Å; F1036-I1040 HydrophobicContact CZ-CD1 3.81Å; F1036-I1040 HydrophobicContact CZ-CG1 4.32Å; F1036-I1040 PolarHBondContact O-N 2.91Å
1037	R	49.4	Very low	47.7	Very low	90 Å²	90	70 Å²	70	34%	0.34	36%	0.361	S	S	.	.	H	α-helix	trans	-61.4	-46.7	167.6	-68.2	158.3	-170.6	-143.3	5.7	110.1	D1033 H1034 F1039 I1040 F1041	D1033-R1037 WeakPolarHBondContact O-CB 3.21Å; D1033-R1037 WeakPolarHBondContact O-CD 3.42Å; D1033-R1037 WeakPolarHBondContact O-CG 3.23Å; D1033-R1037 PolarHBondContact O-N 3.05Å; D1033-R1037 IonicContact OD2-CZ 3.2Å; D1033-R1037 IonicContact OD2-NE 2.63Å; D1033-R1037 PolarHBondContact OD2-NE 3.28Å; D1033-R1037 IonicContact OD2-NH2 2.9Å; D1033-R1037 PolarHBondContact OD2-NH2 3.29Å; H1034-R1037 CarbonylContact O-C 3.48Å; H1034-R1037 WeakPolarHBondContact O-CA 3.38Å; H1034-R1037 WeakPolarHBondContact O-CB 3.33Å; H1034-R1037 PolarHBondContact O-N 3.31Å; H1034-R1037 VanDerWaalsContact O-N 3.12Å; R1037-F1039 PolarHBondContact O-N 2.96Å; R1037-I1040 CarbonylContact O-C 3.55Å; R1037-I1040 PolarHBondContact O-N 3.33Å; R1037-I1040 VanDerWaalsContact O-N 3.13Å; R1037-F1041 WeakPolarHBondContact O-CB 3.38Å; R1037-F1041 WeakPolarHBondContact O-CD2 3.47Å; R1037-F1041 PolarHBondContact O-N 3.27Å
1038	D	52.8	Low	48	Very low	90 Å²	90	69.1 Å²	69.1	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-43.4	177.9	-64.7	-20.8	0	0	0	111.1	H1034 I1040 F1041 D1042	H1034-D1038 VanDerWaalsContact O-CG 3.26Å; H1034-D1038 PolarHBondContact O-N 2.87Å; D1038-I1040 PolarHBondContact O-N 3.05Å; D1038-F1041 PolarHBondContact O-N 3.4Å; D1038-D1042 WeakPolarHBondContact O-CB 3.41Å; D1038-D1042 PolarHBondContact O-N 2.7Å
1039	F	52.2	Low	48.2	Very low	65 Å²	65	64.1 Å²	64.1	29%	0.285	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-41.1	172.6	173.9	-102.6	0	0	0	113.1	L1035 F1036 R1037 L1043 I1103	L1035-F1039 WeakPolarHBondContact O-CB 3.25Å; L1035-F1039 PolarHBondContact O-N 3.45Å; F1036-F1039 HydrophobicContact CD2-CD1 4.41Å; F1036-F1039 HydrophobicContact CE2-CD1 4.24Å; F1036-F1039 PolarHBondContact O-N 3.31Å; R1037-F1039 PolarHBondContact O-N 2.96Å; F1039-L1043 HydrophobicContact CZ-CD1 4.35Å; F1039-L1043 WeakPolarHBondContact O-CB 3.44Å; F1039-L1043 PolarHBondContact O-N 3.28Å; F1039-I1103 HydrophobicContact CE2-CG1 4.48Å
1040	I	52.4	Low	48.4	Very low	38 Å²	38	65.8 Å²	65.8	20%	0.195	32%	0.323	C	S	.	.	H	α-helix	trans	-70.8	-34.9	175.1	-74.5	-177.1	0	0	0	111.6	F1036 R1037 D1038 L1043 C1044	F1036-I1040 HydrophobicContact CD1-CD1 4.05Å; F1036-I1040 HydrophobicContact CE1-CD1 3.41Å; F1036-I1040 VanDerWaalsContact CE1-CD1 3.41Å; F1036-I1040 HydrophobicContact CE1-CG1 4.21Å; F1036-I1040 HydrophobicContact CZ-CD1 3.81Å; F1036-I1040 HydrophobicContact CZ-CG1 4.32Å; F1036-I1040 PolarHBondContact O-N 2.91Å; R1037-I1040 CarbonylContact O-C 3.55Å; R1037-I1040 PolarHBondContact O-N 3.33Å; R1037-I1040 VanDerWaalsContact O-N 3.13Å; D1038-I1040 PolarHBondContact O-N 3.05Å; I1040-L1043 PolarHBondContact O-N 3.34Å; I1040-C1044 WeakPolarHBondContact O-CB 3.3Å; I1040-C1044 PolarHBondContact O-N 3.42Å; I1040-C1044 PolarHBondContact O-SG 3.36Å
1041	F	49.2	Very low	48.4	Very low	84 Å²	84	61.1 Å²	61.1	37%	0.368	30%	0.302	S	S	.	.	H	α-helix	trans	-67.5	-44.5	174.3	-96.1	-79.9	0	0	0	111.8	W1006 R1037 D1038 C1044 R1045	W1006-F1041 AromaticContact CH2-CE2 3.57Å; W1006-F1041 HydrophobicContact CH2-CE2 3.57Å; W1006-F1041 AromaticContact CH2-CZ 3.97Å; W1006-F1041 HydrophobicContact CH2-CZ 3.97Å; W1006-F1041 AromaticContact CZ2-CE2 3.68Å; W1006-F1041 HydrophobicContact CZ2-CE2 3.68Å; W1006-F1041 AromaticContact CZ2-CZ 3.64Å; W1006-F1041 HydrophobicContact CZ2-CZ 3.64Å; W1006-F1041 HydrophobicContact CZ3-CE2 4.34Å; R1037-F1041 WeakPolarHBondContact O-CB 3.38Å; R1037-F1041 WeakPolarHBondContact O-CD2 3.47Å; R1037-F1041 PolarHBondContact O-N 3.27Å; D1038-F1041 PolarHBondContact O-N 3.4Å; F1041-C1044 CarbonylContact O-C 3.58Å; F1041-C1044 PolarHBondContact O-N 3.08Å; F1041-R1045 VanDerWaalsContact O-CB 3.3Å; F1041-R1045 WeakPolarHBondContact O-CB 3.39Å; F1041-R1045 PolarHBondContact O-N 2.88Å
1042	D	52.2	Low	48.1	Very low	92 Å²	92	63.7 Å²	63.7	49%	0.492	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-42.3	172.1	-94.8	-6.5	0	0	0	111.2	D1038 C1044 R1045 D1046	D1038-D1042 WeakPolarHBondContact O-CB 3.41Å; D1038-D1042 PolarHBondContact O-N 2.7Å; D1042-C1044 VanDerWaalsContact C-N 3.34Å; D1042-C1044 PolarHBondContact O-N 3.38Å; D1042-R1045 PolarHBondContact O-N 3.42Å; D1042-D1046 WeakPolarHBondContact O-CB 3.33Å; D1042-D1046 PolarHBondContact O-N 3.07Å
1043	L	53	Low	48	Very low	33 Å²	33	63.4 Å²	63.4	17%	0.173	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-41.2	175.8	-159.5	95.6	0	0	0	111.3	F1039 I1040 F1047 V1090	F1039-L1043 HydrophobicContact CZ-CD1 4.35Å; F1039-L1043 WeakPolarHBondContact O-CB 3.44Å; F1039-L1043 PolarHBondContact O-N 3.28Å; I1040-L1043 PolarHBondContact O-N 3.34Å; L1043-F1047 WeakPolarHBondContact O-CB 3.35Å; L1043-F1047 PolarHBondContact O-N 3.41Å; L1043-V1090 HydrophobicContact CD2-CG2 3.56Å
1044	C	49.9	Very low	48	Very low	49 Å²	49	63.2 Å²	63.2	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-35.1	173.4	-74.5	0	0	0	0	112.7	I1040 F1041 D1042 F1047 V1048	I1040-C1044 WeakPolarHBondContact O-CB 3.3Å; I1040-C1044 PolarHBondContact O-N 3.42Å; I1040-C1044 PolarHBondContact O-SG 3.36Å; F1041-C1044 CarbonylContact O-C 3.58Å; F1041-C1044 PolarHBondContact O-N 3.08Å; D1042-C1044 VanDerWaalsContact C-N 3.34Å; D1042-C1044 PolarHBondContact O-N 3.38Å; C1044-F1047 WeakPolarHBondContact O-CB 3.33Å; C1044-F1047 PolarHBondContact O-N 2.95Å; C1044-V1048 WeakPolarHBondContact O-CG2 3.19Å; C1044-V1048 PolarHBondContact O-N 2.89Å
1045	R	49.2	Very low	47.9	Very low	74 Å²	74	64.5 Å²	64.5	28%	0.279	34%	0.338	S	S	.	.	H	α-helix	trans	-69	-50.5	176.5	176.4	-176.2	158.5	126.6	6.1	111	F1041 D1042 F1047 V1048 A1049 A1058 D1059	F1041-R1045 VanDerWaalsContact O-CB 3.3Å; F1041-R1045 WeakPolarHBondContact O-CB 3.39Å; F1041-R1045 PolarHBondContact O-N 2.88Å; D1042-R1045 PolarHBondContact O-N 3.42Å; R1045-F1047 PolarHBondContact O-N 3.03Å; R1045-V1048 PolarHBondContact O-N 3.48Å; R1045-A1049 WeakPolarHBondContact O-CB 3.32Å; R1045-A1049 PolarHBondContact O-N 2.74Å; R1045-A1058 HydrophobicContact CG-CB 4.15Å; R1045-A1058 PolarHBondContact NH1-O 2.96Å; R1045-D1059 IonicContact CZ-OD1 2.7Å; R1045-D1059 IonicContact NH1-OD1 3.72Å; R1045-D1059 PolarHBondContact NH1-OD1 3.42Å; R1045-D1059 IonicContact NH2-OD1 2.72Å; R1045-D1059 PolarHBondContact NH2-OD1 3.01Å
1046	D	49.6	Very low	47.8	Very low	59 Å²	59	71 Å²	71	32%	0.316	37%	0.367	S	S	.	.	H	α-helix	trans	-57.3	-37.9	172	-93	5.4	0	0	0	110	D1042 N1050 R1102	D1042-D1046 WeakPolarHBondContact O-CB 3.33Å; D1042-D1046 PolarHBondContact O-N 3.07Å; D1046-N1050 WeakPolarHBondContact O-CB 3.36Å; D1046-N1050 PolarHBondContact O-N 3.1Å; D1046-N1050 PolarHBondContact O-ND2 3.48Å; D1046-R1102 IonicContact OD2-NH1 2.87Å; D1046-R1102 PolarHBondContact OD2-NH1 3.4Å
1047	F	49	Very low	47.4	Very low	28 Å²	28	75.7 Å²	75.7	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-66.1	-47.3	177.5	-172.6	-102.8	0	0	0	113.3	L1043 C1044 R1045 N1050 I1051 V1082 L1085 V1086 L1089	L1043-F1047 WeakPolarHBondContact O-CB 3.35Å; L1043-F1047 PolarHBondContact O-N 3.41Å; C1044-F1047 WeakPolarHBondContact O-CB 3.33Å; C1044-F1047 PolarHBondContact O-N 2.95Å; R1045-F1047 PolarHBondContact O-N 3.03Å; F1047-N1050 PolarHBondContact O-N 2.91Å; F1047-I1051 HydrophobicContact CD1-CD1 4Å; F1047-I1051 HydrophobicContact CD2-CD1 4.48Å; F1047-I1051 HydrophobicContact CE1-CD1 3.41Å; F1047-I1051 VanDerWaalsContact CE1-CD1 3.41Å; F1047-I1051 HydrophobicContact CE2-CD1 3.97Å; F1047-I1051 HydrophobicContact CG-CD1 4.49Å; F1047-I1051 HydrophobicContact CZ-CD1 3.39Å; F1047-I1051 PolarHBondContact O-N 2.84Å; F1047-V1082 HydrophobicContact CE1-CG1 4.07Å; F1047-V1082 HydrophobicContact CE1-CG2 4.34Å; F1047-V1082 HydrophobicContact CZ-CB 4.1Å; F1047-V1082 HydrophobicContact CZ-CG1 3.79Å; F1047-V1082 HydrophobicContact CZ-CG2 4.13Å; F1047-L1085 HydrophobicContact CD2-CD2 4.19Å; F1047-L1085 HydrophobicContact CD2-CG 4.4Å; F1047-L1085 HydrophobicContact CE2-CB 3.9Å; F1047-L1085 HydrophobicContact CE2-CD2 3.75Å; F1047-L1085 HydrophobicContact CE2-CG 3.88Å; F1047-V1086 HydrophobicContact CD2-CG2 3.89Å; F1047-V1086 HydrophobicContact CE1-CG2 4.14Å; F1047-V1086 HydrophobicContact CE2-CB 4.37Å; F1047-V1086 HydrophobicContact CE2-CG2 3.3Å; F1047-V1086 HydrophobicContact CZ-CG2 3.45Å; F1047-V1086 VanDerWaalsContact CZ-CG2 3.45Å; F1047-L1089 HydrophobicContact CD2-CD1 3.88Å
1048	V	44.6	Very low	46.9	Very low	38 Å²	38	71.9 Å²	71.9	23%	0.23	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-41.4	175.1	170.1	0	0	0	0	110.9	C1044 R1045 N1050 I1051 Y1052 I1061	C1044-V1048 WeakPolarHBondContact O-CG2 3.19Å; C1044-V1048 PolarHBondContact O-N 2.89Å; R1045-V1048 PolarHBondContact O-N 3.48Å; V1048-N1050 PolarHBondContact O-N 3.35Å; V1048-I1051 PolarHBondContact O-N 3.07Å; V1048-Y1052 HydrophobicContact CB-CD2 4.48Å; V1048-Y1052 HydrophobicContact CG1-CD2 3.85Å; V1048-Y1052 HydrophobicContact CG1-CE2 4.36Å; V1048-Y1052 WeakPolarHBondContact O-CD2 3.4Å; V1048-Y1052 PolarHBondContact O-N 2.88Å; V1048-I1061 HydrophobicContact CB-CD1 4.09Å; V1048-I1061 HydrophobicContact CG1-CD1 3.96Å; V1048-I1061 HydrophobicContact CG2-CD1 4.43Å
1049	A	46.1	Very low	46.3	Very low	17 Å²	17	72.8 Å²	72.8	14%	0.14	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-46.2	175.6	0	0	0	0	0	111.8	R1045 G1053 C1054	R1045-A1049 WeakPolarHBondContact O-CB 3.32Å; R1045-A1049 PolarHBondContact O-N 2.74Å; A1049-G1053 WeakPolarHBondContact O-CA 3.42Å; A1049-G1053 PolarHBondContact O-N 2.88Å; A1049-C1054 PolarHBondContact O-N 3.03Å
1050	N	49.8	Very low	45.5	Very low	116 Å²	116	71.5 Å²	71.5	62%	0.62	38%	0.379	S	S	*	.	H	α-helix	trans	-68.3	-37.2	179.3	-81.1	-73.1	0	0	0	113.8	D1046 F1047 V1048	D1046-N1050 WeakPolarHBondContact O-CB 3.36Å; D1046-N1050 PolarHBondContact O-N 3.1Å; D1046-N1050 PolarHBondContact O-ND2 3.48Å; F1047-N1050 PolarHBondContact O-N 2.91Å; V1048-N1050 PolarHBondContact O-N 3.35Å
1051	I	42.3	Very low	44.6	Very low	56 Å²	56	72.6 Å²	72.6	29%	0.287	38%	0.384	S	S	.	.	H	α-helix	trans	-75.7	-40.5	-179.3	-73.2	-177	0	0	0	112.3	F1047 V1048 V1082 L1085	F1047-I1051 HydrophobicContact CD1-CD1 4Å; F1047-I1051 HydrophobicContact CD2-CD1 4.48Å; F1047-I1051 HydrophobicContact CE1-CD1 3.41Å; F1047-I1051 VanDerWaalsContact CE1-CD1 3.41Å; F1047-I1051 HydrophobicContact CE2-CD1 3.97Å; F1047-I1051 HydrophobicContact CG-CD1 4.49Å; F1047-I1051 HydrophobicContact CZ-CD1 3.39Å; F1047-I1051 PolarHBondContact O-N 2.84Å; V1048-I1051 PolarHBondContact O-N 3.07Å; I1051-V1082 HydrophobicContact CD1-CG2 4.01Å; I1051-L1085 HydrophobicContact CD1-CD2 4.15Å; I1051-L1085 HydrophobicContact CG1-CD2 3.92Å
1052	Y	41.9	Very low	43.9	Very low	115 Å²	115	72 Å²	72	45%	0.451	40%	0.402	S	S	.	.	H	α-helix	trans	-99.1	-2.2	-173.2	-62.5	-80.5	0	0	0	114	V1048 C1054 V1074	V1048-Y1052 HydrophobicContact CB-CD2 4.48Å; V1048-Y1052 HydrophobicContact CG1-CD2 3.85Å; V1048-Y1052 HydrophobicContact CG1-CE2 4.36Å; V1048-Y1052 WeakPolarHBondContact O-CD2 3.4Å; V1048-Y1052 PolarHBondContact O-N 2.88Å; Y1052-C1054 PolarHBondContact O-N 3.05Å; Y1052-C1054 PolarHBondContact O-SG 2.66Å; Y1052-V1074 HydrophobicContact CE1-CG1 4.39Å; Y1052-V1074 WeakPolarHBondContact OH-CG1 3.47Å
1053	G	38.5	Very low	42.9	Very low	57 Å²	57	74.4 Å²	74.4	59%	0.588	41%	0.41	S	S	*	.			trans	65.7	14.3	-176.7	0	0	0	0	0	114	A1049 N1055	A1049-G1053 WeakPolarHBondContact O-CA 3.42Å; A1049-G1053 PolarHBondContact O-N 2.88Å; G1053-N1055 VanDerWaalsContact C-N 3.3Å; G1053-N1055 PolarHBondContact O-N 3.3Å
1054	C	43.8	Very low	41.9	Very low	45 Å²	45	79.6 Å²	79.6	30%	0.304	45%	0.446	S	S	.	.			trans	-85.4	58.2	-165.2	-83.2	0	0	0	0	113.2	A1049 Y1052 E1056 K1057 A1058	A1049-C1054 PolarHBondContact O-N 3.03Å; Y1052-C1054 PolarHBondContact O-N 3.05Å; Y1052-C1054 PolarHBondContact O-SG 2.66Å; C1054-E1056 PolarHBondContact O-N 3.08Å; C1054-E1056 VanDerWaalsContact O-N 3.11Å; C1054-K1057 HydrophobicContact CB-CB 4.2Å; C1054-K1057 PolarHBondContact O-N 3.21Å; C1054-K1057 VanDerWaalsContact O-N 3.1Å; C1054-A1058 PolarHBondContact O-N 3.02Å
1055	N	45.3	Very low	41	Very low	139 Å²	139	80.5 Å²	80.5	74%	0.743	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.2	179.1	-68.1	-14.1	0	0	0	113.3	G1053	G1053-N1055 VanDerWaalsContact C-N 3.3Å; G1053-N1055 PolarHBondContact O-N 3.3Å
1056	E	45.3	Very low	40.2	Very low	185 Å²	185	79.2 Å²	79.2	86%	0.864	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.2	-176.6	-59.5	179.2	149.4	0	0	114.4	C1054	C1054-E1056 PolarHBondContact O-N 3.08Å; C1054-E1056 VanDerWaalsContact O-N 3.11Å
1057	K	39.8	Very low	39.3	Very low	119 Å²	119	84 Å²	84	52%	0.517	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	5.3	-174.8	-65.2	-176.1	179.2	179.5	0	114.3	C1054 D1059 C1060	C1054-K1057 HydrophobicContact CB-CB 4.2Å; C1054-K1057 PolarHBondContact O-N 3.21Å; C1054-K1057 VanDerWaalsContact O-N 3.1Å; K1057-D1059 PolarHBondContact O-N 3Å; K1057-C1060 WeakPolarHBondContact O-CB 3.44Å; K1057-C1060 PolarHBondContact O-N 3.42Å
1058	A	38.8	Very low	38.5	Very low	10 Å²	10	89.9 Å²	89.9	8%	0.083	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-63.8	-27.1	174.7	0	0	0	0	0	112.8	R1045 C1054 C1060 I1061	R1045-A1058 HydrophobicContact CG-CB 4.15Å; R1045-A1058 PolarHBondContact NH1-O 2.96Å; C1054-A1058 PolarHBondContact O-N 3.02Å; A1058-C1060 PolarHBondContact O-N 2.89Å; A1058-I1061 PolarHBondContact O-N 2.81Å
1059	D	38.8	Very low	37.8	Very low	110 Å²	110	92.2 Å²	92.2	59%	0.588	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-72.9	-9.4	178.8	-60.7	-46.6	0	0	0	114	R1045 K1057 I1061	R1045-D1059 IonicContact CZ-OD1 2.7Å; R1045-D1059 IonicContact NH1-OD1 3.72Å; R1045-D1059 PolarHBondContact NH1-OD1 3.42Å; R1045-D1059 IonicContact NH2-OD1 2.72Å; R1045-D1059 PolarHBondContact NH2-OD1 3.01Å; K1057-D1059 PolarHBondContact O-N 3Å; D1059-I1061 PolarHBondContact O-N 2.86Å
1060	C	35.2	Very low	37.2	Very low	38 Å²	38	95.4 Å²	95.4	26%	0.257	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-72	-5.7	168.6	-58.2	0	0	0	0	113.5	K1057 A1058 G1062 C1066 Y1068	K1057-C1060 WeakPolarHBondContact O-CB 3.44Å; K1057-C1060 PolarHBondContact O-N 3.42Å; A1058-C1060 PolarHBondContact O-N 2.89Å; C1060-G1062 PolarHBondContact O-N 3.06Å; C1060-C1066 WeakPolarHBondContact O-CB 3.37Å; C1060-C1066 PolarHBondContact O-SG 2.91Å; C1060-Y1068 HydrophobicContact CB-CD2 3.88Å; C1060-Y1068 HydrophobicContact CB-CE2 3.82Å
1061	I	34.4	Very low	36.3	Very low	61 Å²	61	92.2 Å²	92.2	31%	0.313	53%	0.525	S	S	.	.	S	Bend	trans	-99.4	77.7	-178.5	-49.8	178.1	0	0	0	109.1	V1048 A1058 D1059	V1048-I1061 HydrophobicContact CB-CD1 4.09Å; V1048-I1061 HydrophobicContact CG1-CD1 3.96Å; V1048-I1061 HydrophobicContact CG2-CD1 4.43Å; A1058-I1061 PolarHBondContact O-N 2.81Å; D1059-I1061 PolarHBondContact O-N 2.86Å
1062	G	35.3	Very low	35.7	Very low	72 Å²	72	92.3 Å²	92.3	74%	0.742	53%	0.531	S	S	*	.	S	Bend	trans	167.1	-31.6	174.7	0	0	0	0	0	115.2	C1060	C1060-G1062 PolarHBondContact O-N 3.06Å
1063	E	31.4	Very low	35.4	Very low	142 Å²	142	94.7 Å²	94.7	66%	0.664	55%	0.546	S	S	*	.	S	Bend	trans	-69.8	135	-176.9	-70.3	-158.6	137.4	0	0	113.4	G1065 C1066	E1063-G1065 VanDerWaalsContact C-N 3.26Å; E1063-G1065 PolarHBondContact O-N 3.36Å; E1063-C1066 PolarHBondContact O-N 3.39Å; E1063-C1066 VanDerWaalsContact O-N 3.13Å
1064	P	32.1	Very low	35.2	Very low	142 Å²	142	95.7 Å²	95.7	92%	0.922	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	81	175.6	30.7	-35.2	0	0	0	110.9
1065	G	30.5	Very low	34.9	Very low	67 Å²	67	94.9 Å²	94.9	69%	0.691	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	156.3	-13	-176	0	0	0	0	0	114	E1063 R1067	E1063-G1065 VanDerWaalsContact C-N 3.26Å; E1063-G1065 PolarHBondContact O-N 3.36Å; G1065-R1067 PolarHBondContact O-N 2.84Å
1066	C	31	Very low	34.4	Very low	47 Å²	47	95.5 Å²	95.5	32%	0.318	53%	0.529	S	S	.	.			trans	-66.3	122.9	-176.5	-106.6	0	0	0	0	112.8	C1060 E1063 Y1068	C1060-C1066 WeakPolarHBondContact O-CB 3.37Å; C1060-C1066 PolarHBondContact O-SG 2.91Å; E1063-C1066 PolarHBondContact O-N 3.39Å; E1063-C1066 VanDerWaalsContact O-N 3.13Å; C1066-Y1068 PolarHBondContact O-N 3.39Å; C1066-Y1068 VanDerWaalsContact O-N 3.09Å
1067	R	31.5	Very low	34.1	Very low	159 Å²	159	90.1 Å²	90.1	60%	0.6	52%	0.524	S	S	*	.			trans	-74.5	2.8	-168.5	-62	178.7	-179	156.7	2.2	114.8	D869 G1065 A1069	D869-R1067 IonicContact OD1-CZ 3.24Å; D869-R1067 IonicContact OD1-NH1 2.73Å; D869-R1067 PolarHBondContact OD1-NH1 3.42Å; D869-R1067 IonicContact OD1-NH2 3.04Å; D869-R1067 PolarHBondContact OD1-NH2 2.88Å; G1065-R1067 PolarHBondContact O-N 2.84Å; R1067-A1069 PolarHBondContact O-N 3Å
1068	Y	32.7	Very low	34.5	Very low	152 Å²	152	88 Å²	88	60%	0.596	52%	0.518	S	S	*	.			trans	-78.7	63.8	177.5	-65.4	-73.3	0	0	0	112.3	C1060 C1066 L1070	C1060-Y1068 HydrophobicContact CB-CD2 3.88Å; C1060-Y1068 HydrophobicContact CB-CE2 3.82Å; C1066-Y1068 PolarHBondContact O-N 3.39Å; C1066-Y1068 VanDerWaalsContact O-N 3.09Å; Y1068-L1070 PolarHBondContact O-N 3.19Å
1069	A	29.6	Very low	34.8	Very low	87 Å²	87	91.8 Å²	91.8	72%	0.719	54%	0.536	S	S	*	.			trans	-59.5	118.9	150.2	0	0	0	0	0	107.5	R1067 S1071	R1067-A1069 PolarHBondContact O-N 3Å; A1069-S1071 PolarHBondContact O-N 2.98Å
1070	L	32.8	Very low	35.4	Very low	84 Å²	84	92.3 Å²	92.3	44%	0.44	54%	0.536	S	S	.	.			trans	-63.9	89.8	168.7	-77.5	170.7	0	0	0	108	L999 Y1068 I1075	L999-L1070 HydrophobicContact CD2-CD1 4.09Å; Y1068-L1070 PolarHBondContact O-N 3.19Å; L1070-I1075 HydrophobicContact CB-CD1 4.41Å
1071	S	32	Very low	35.6	Very low	49 Å²	49	96 Å²	96	34%	0.343	55%	0.551	S	S	.	*			trans	-63.9	144.3	-175.9	91	0	0	0	0	109.4	A1069 Q1073 V1074	A1069-S1071 PolarHBondContact O-N 2.98Å; S1071-Q1073 PolarHBondContact O-N 3.1Å; S1071-V1074 PolarHBondContact O-N 3.36Å
1072	S	30	Very low	36	Very low	58 Å²	58	94 Å²	94	41%	0.406	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-0.1	-178.5	-164.7	0	0	0	0	113.5	A1000 K1076	A1000-S1072 PolarHBondContact O-OG 3.43Å; S1072-K1076 WeakPolarHBondContact O-CD 3.43Å; S1072-K1076 VanDerWaalsContact O-CE 3.29Å; S1072-K1076 WeakPolarHBondContact O-CE 3.11Å; S1072-K1076 VanDerWaalsContact O-CG 3.26Å; S1072-K1076 WeakPolarHBondContact O-CG 3.24Å
1073	Q	33.9	Very low	36.8	Very low	165 Å²	165	93.8 Å²	93.8	77%	0.771	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-29.3	171.1	-67.7	173.1	-27.1	0	0	113.2	S1071	S1071-Q1073 PolarHBondContact O-N 3.1Å
1074	V	35.9	Very low	37.7	Very low	79 Å²	79	94.4 Å²	94.4	48%	0.479	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-32.5	-173.9	-175.9	0	0	0	0	112.3	Y1052 S1071	Y1052-V1074 HydrophobicContact CE1-CG1 4.39Å; Y1052-V1074 WeakPolarHBondContact OH-CG1 3.47Å; S1071-V1074 PolarHBondContact O-N 3.36Å
1075	I	36.2	Very low	38.3	Very low	28 Å²	28	90.3 Å²	90.3	14%	0.144	49%	0.486	C	S	.	.	S	Bend	trans	-74.4	-30.8	176.9	-62.2	172	0	0	0	111	A1000 L1070 G1077 D1079	A1000-I1075 HydrophobicContact CB-CG2 4.28Å; L1070-I1075 HydrophobicContact CB-CD1 4.41Å; I1075-G1077 PolarHBondContact O-N 3.04Å; I1075-D1079 WeakPolarHBondContact CG2-OD1 3.44Å
1076	K	35.1	Very low	39.3	Very low	152 Å²	152	88 Å²	88	66%	0.661	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	102.3	-179.3	-76.3	-179.3	-174.1	178.4	0	112	S1072	S1072-K1076 WeakPolarHBondContact O-CD 3.43Å; S1072-K1076 VanDerWaalsContact O-CE 3.29Å; S1072-K1076 WeakPolarHBondContact O-CE 3.11Å; S1072-K1076 VanDerWaalsContact O-CG 3.26Å; S1072-K1076 WeakPolarHBondContact O-CG 3.24Å
1077	G	38.9	Very low	40.4	Very low	72 Å²	72	86.5 Å²	86.5	74%	0.742	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.1	-18.9	172.6	0	0	0	0	0	113.7	I1075	I1075-G1077 PolarHBondContact O-N 3.04Å
1078	N	47.9	Very low	41.3	Very low	74 Å²	74	83.9 Å²	83.9	40%	0.396	45%	0.445	S	S	.	.			trans	-131.1	13.4	-173.8	-118.8	-9.2	0	0	0	114.4	E1080 M1081 V1082	N1078-E1080 PolarHBondContact O-N 3.34Å; N1078-M1081 PolarHBondContact O-N 3.4Å; N1078-M1081 WeakPolarHBondContact OD1-CE 3.44Å; N1078-V1082 HydrophobicContact CB-CG2 4.34Å; N1078-V1082 WeakPolarHBondContact O-CB 3.34Å; N1078-V1082 WeakPolarHBondContact O-CG2 3.47Å; N1078-V1082 PolarHBondContact O-N 3.42Å
1079	D	46	Very low	42.1	Very low	89 Å²	89	77.7 Å²	77.7	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-46.5	-41.2	-175.6	-69	-55.6	0	0	0	113.8	I1075 K1083	I1075-D1079 WeakPolarHBondContact CG2-OD1 3.44Å; D1079-K1083 WeakPolarHBondContact O-CB 3.47Å; D1079-K1083 PolarHBondContact O-N 3.4Å
1080	E	50.8	Low	43.2	Very low	122 Å²	122	74.5 Å²	74.5	57%	0.57	39%	0.393	S	S	*	.	H	α-helix	trans	-74.2	-37.3	-179	-127.2	-148.9	128.2	0	0	113.3	N1078 R1084	N1078-E1080 PolarHBondContact O-N 3.34Å; E1080-R1084 WeakPolarHBondContact O-CB 3.35Å; E1080-R1084 WeakPolarHBondContact O-CG 3.37Å; E1080-R1084 PolarHBondContact O-N 3.35Å; E1080-R1084 IonicContact OE1-CZ 3.77Å; E1080-R1084 VanDerWaalsContact OE1-CZ 3.24Å; E1080-R1084 IonicContact OE1-NE 3.89Å; E1080-R1084 PolarHBondContact OE1-NE 2.88Å; E1080-R1084 IonicContact OE1-NH2 2.66Å; E1080-R1084 PolarHBondContact OE1-NH2 3.08Å; E1080-R1084 IonicContact OE2-NH2 3.69Å
1081	M	40.6	Very low	44.2	Very low	116 Å²	116	71.9 Å²	71.9	57%	0.571	38%	0.379	S	S	*	.	H	α-helix	trans	-70.9	-42.5	174.8	-165.4	-163.1	-59.8	0	0	110.2	N1078 R1084 L1085	N1078-M1081 PolarHBondContact O-N 3.4Å; N1078-M1081 WeakPolarHBondContact OD1-CE 3.44Å; M1081-R1084 PolarHBondContact O-N 3.48Å; M1081-L1085 WeakPolarHBondContact O-CB 3.45Å; M1081-L1085 PolarHBondContact O-N 3.13Å
1082	V	42.8	Very low	45.2	Very low	19 Å²	19	73.8 Å²	73.8	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-54.8	-54	172.5	159.1	0	0	0	0	109.9	L996 F1047 I1051 N1078 L1085 V1086	L996-V1082 HydrophobicContact CD1-CG1 4.07Å; L996-V1082 HydrophobicContact CD2-CG1 3.59Å; L996-V1082 HydrophobicContact CG-CG1 4.5Å; F1047-V1082 HydrophobicContact CE1-CG1 4.07Å; F1047-V1082 HydrophobicContact CE1-CG2 4.34Å; F1047-V1082 HydrophobicContact CZ-CB 4.1Å; F1047-V1082 HydrophobicContact CZ-CG1 3.79Å; F1047-V1082 HydrophobicContact CZ-CG2 4.13Å; I1051-V1082 HydrophobicContact CD1-CG2 4.01Å; N1078-V1082 HydrophobicContact CB-CG2 4.34Å; N1078-V1082 WeakPolarHBondContact O-CB 3.34Å; N1078-V1082 WeakPolarHBondContact O-CG2 3.47Å; N1078-V1082 PolarHBondContact O-N 3.42Å; V1082-L1085 PolarHBondContact O-N 3.43Å; V1082-V1086 WeakPolarHBondContact O-CG2 3.4Å; V1082-V1086 PolarHBondContact O-N 3.34Å
1083	K	51.6	Low	46.1	Very low	67 Å²	67	71.2 Å²	71.2	29%	0.291	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-50.9	177.3	177.7	175.8	-179.5	162.2	0	112.3	D993 L996 D1079 L1085 V1086 D1087	D993-K1083 WeakPolarHBondContact OD1-CD 3.43Å; D993-K1083 WeakPolarHBondContact OD1-CE 3.21Å; D993-K1083 IonicContact OD1-NZ 2.69Å; D993-K1083 PolarHBondContact OD1-NZ 3.27Å; D993-K1083 WeakPolarHBondContact OD2-CE 3.48Å; D993-K1083 IonicContact OD2-NZ 3.17Å; D993-K1083 PolarHBondContact OD2-NZ 3.26Å; L996-K1083 HydrophobicContact CD1-CB 4.22Å; D1079-K1083 WeakPolarHBondContact O-CB 3.47Å; D1079-K1083 PolarHBondContact O-N 3.4Å; K1083-L1085 PolarHBondContact O-N 3.28Å; K1083-V1086 PolarHBondContact O-N 3Å; K1083-D1087 WeakPolarHBondContact O-CB 3.36Å; K1083-D1087 PolarHBondContact O-N 2.85Å
1084	R	51	Low	46.8	Very low	154 Å²	154	65.6 Å²	65.6	58%	0.581	34%	0.34	S	S	*	.	H	α-helix	trans	-60.4	-34.6	178.7	-73	172.6	-171.1	-159	7.8	112	E1080 M1081 L1088	E1080-R1084 WeakPolarHBondContact O-CB 3.35Å; E1080-R1084 WeakPolarHBondContact O-CG 3.37Å; E1080-R1084 PolarHBondContact O-N 3.35Å; E1080-R1084 IonicContact OE1-CZ 3.77Å; E1080-R1084 VanDerWaalsContact OE1-CZ 3.24Å; E1080-R1084 IonicContact OE1-NE 3.89Å; E1080-R1084 PolarHBondContact OE1-NE 2.88Å; E1080-R1084 IonicContact OE1-NH2 2.66Å; E1080-R1084 PolarHBondContact OE1-NH2 3.08Å; E1080-R1084 IonicContact OE2-NH2 3.69Å; M1081-R1084 PolarHBondContact O-N 3.48Å; R1084-L1088 VanDerWaalsContact O-CB 3.32Å; R1084-L1088 WeakPolarHBondContact O-CB 3.45Å; R1084-L1088 PolarHBondContact O-N 3.36Å
1085	L	43.9	Very low	47.4	Very low	56 Å²	56	65.3 Å²	65.3	29%	0.293	33%	0.332	S	S	.	.	H	α-helix	trans	-78.3	-37.5	179.4	-169.5	69.6	0	0	0	112.4	F1047 I1051 M1081 V1082 K1083 L1088 L1089	F1047-L1085 HydrophobicContact CD2-CD2 4.19Å; F1047-L1085 HydrophobicContact CD2-CG 4.4Å; F1047-L1085 HydrophobicContact CE2-CB 3.9Å; F1047-L1085 HydrophobicContact CE2-CD2 3.75Å; F1047-L1085 HydrophobicContact CE2-CG 3.88Å; I1051-L1085 HydrophobicContact CD1-CD2 4.15Å; I1051-L1085 HydrophobicContact CG1-CD2 3.92Å; M1081-L1085 WeakPolarHBondContact O-CB 3.45Å; M1081-L1085 PolarHBondContact O-N 3.13Å; V1082-L1085 PolarHBondContact O-N 3.43Å; K1083-L1085 PolarHBondContact O-N 3.28Å; L1085-L1088 PolarHBondContact O-N 3.41Å; L1085-L1089 HydrophobicContact CD1-CD1 4.41Å; L1085-L1089 HydrophobicContact CG-CD1 3.97Å; L1085-L1089 VanDerWaalsContact O-CB 3.3Å; L1085-L1089 WeakPolarHBondContact O-CB 3.2Å; L1085-L1089 VanDerWaalsContact O-CG 3.32Å; L1085-L1089 WeakPolarHBondContact O-CG 3.34Å; L1085-L1089 PolarHBondContact O-N 2.93Å
1086	V	51.3	Low	47.8	Very low	18 Å²	18	65.1 Å²	65.1	11%	0.109	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-43	170.1	-176.7	0	0	0	0	110.5	V992 F1047 V1082 K1083 L1088 L1089 V1090	V992-V1086 HydrophobicContact CB-CG1 4.28Å; V992-V1086 HydrophobicContact CG1-CB 3.82Å; V992-V1086 HydrophobicContact CG1-CG1 3.49Å; V992-V1086 VanDerWaalsContact CG1-CG1 3.49Å; V992-V1086 HydrophobicContact CG2-CG1 3.72Å; F1047-V1086 HydrophobicContact CD2-CG2 3.89Å; F1047-V1086 HydrophobicContact CE1-CG2 4.14Å; F1047-V1086 HydrophobicContact CE2-CB 4.37Å; F1047-V1086 HydrophobicContact CE2-CG2 3.3Å; F1047-V1086 HydrophobicContact CZ-CG2 3.45Å; F1047-V1086 VanDerWaalsContact CZ-CG2 3.45Å; V1082-V1086 WeakPolarHBondContact O-CG2 3.4Å; V1082-V1086 PolarHBondContact O-N 3.34Å; K1083-V1086 PolarHBondContact O-N 3Å; V1086-L1088 VanDerWaalsContact C-N 3.34Å; V1086-L1088 PolarHBondContact O-N 3.11Å; V1086-L1089 PolarHBondContact O-N 2.98Å; V1086-V1090 HydrophobicContact CG1-CG2 3.73Å; V1086-V1090 WeakPolarHBondContact O-CB 3.31Å; V1086-V1090 VanDerWaalsContact O-CG2 3.31Å; V1086-V1090 WeakPolarHBondContact O-CG2 3.49Å; V1086-V1090 PolarHBondContact O-N 3.45Å
1087	D	54	Low	48	Very low	16 Å²	16	62.9 Å²	62.9	9%	0.086	34%	0.337	C	S	.	.	H	α-helix	trans	-51.5	-54.6	170	-108	31	0	0	0	109.8	R989 K1083 L1089 L1091	R989-D1087 VanDerWaalsContact CG-OD1 3.23Å; R989-D1087 WeakPolarHBondContact CG-OD1 3.39Å; R989-D1087 WeakPolarHBondContact CG-OD2 3.43Å; R989-D1087 IonicContact CZ-OD2 2.66Å; R989-D1087 IonicContact NE-OD2 3.39Å; R989-D1087 PolarHBondContact NE-OD2 2.89Å; R989-D1087 IonicContact NH2-OD2 2.7Å; R989-D1087 PolarHBondContact NH2-OD2 3.16Å; R989-D1087 VanDerWaalsContact NH2-OD2 3.13Å; K1083-D1087 WeakPolarHBondContact O-CB 3.36Å; K1083-D1087 PolarHBondContact O-N 2.85Å; D1087-L1089 PolarHBondContact O-N 3.17Å; D1087-L1091 HydrophobicContact CB-CD1 4.44Å; D1087-L1091 WeakPolarHBondContact O-CB 3.22Å; D1087-L1091 WeakPolarHBondContact O-CD1 3.42Å; D1087-L1091 WeakPolarHBondContact O-CG 3.41Å; D1087-L1091 PolarHBondContact O-N 3.15Å
1088	L	50.3	Low	47.9	Very low	105 Å²	105	64 Å²	64	55%	0.55	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-41.6	179.9	-93.4	161.3	0	0	0	113	R1084 L1085 V1086 Q1092	R1084-L1088 VanDerWaalsContact O-CB 3.32Å; R1084-L1088 WeakPolarHBondContact O-CB 3.45Å; R1084-L1088 PolarHBondContact O-N 3.36Å; L1085-L1088 PolarHBondContact O-N 3.41Å; V1086-L1088 VanDerWaalsContact C-N 3.34Å; V1086-L1088 PolarHBondContact O-N 3.11Å; L1088-Q1092 WeakPolarHBondContact O-CA 3.49Å; L1088-Q1092 WeakPolarHBondContact O-CB 3.42Å; L1088-Q1092 VanDerWaalsContact O-CG 3.24Å; L1088-Q1092 WeakPolarHBondContact O-CG 3.45Å; L1088-Q1092 PolarHBondContact O-N 3.2Å
1089	L	48.7	Very low	47.6	Very low	22 Å²	22	63.9 Å²	63.9	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-77.7	-38.3	-176.6	-76.2	167.2	0	0	0	113.4	F1047 L1085 V1086 D1087 S1093	F1047-L1089 HydrophobicContact CD2-CD1 3.88Å; L1085-L1089 HydrophobicContact CD1-CD1 4.41Å; L1085-L1089 HydrophobicContact CG-CD1 3.97Å; L1085-L1089 VanDerWaalsContact O-CB 3.3Å; L1085-L1089 WeakPolarHBondContact O-CB 3.2Å; L1085-L1089 VanDerWaalsContact O-CG 3.32Å; L1085-L1089 WeakPolarHBondContact O-CG 3.34Å; L1085-L1089 PolarHBondContact O-N 2.93Å; V1086-L1089 PolarHBondContact O-N 2.98Å; D1087-L1089 PolarHBondContact O-N 3.17Å; L1089-S1093 VanDerWaalsContact O-CB 3.24Å; L1089-S1093 WeakPolarHBondContact O-CB 3.49Å; L1089-S1093 PolarHBondContact O-N 3.37Å; L1089-S1093 PolarHBondContact O-OG 2.95Å
1090	V	53	Low	47.3	Very low	20 Å²	20	64 Å²	64	12%	0.121	33%	0.325	C	S	.	.	H	α-helix	trans	-70.1	-46.3	174	179.3	0	0	0	0	109.5	V988 V992 L1043 V1086 Q1092 S1093 I1094	V988-V1090 HydrophobicContact CG1-CB 4.13Å; V988-V1090 HydrophobicContact CG1-CG1 3.55Å; V988-V1090 HydrophobicContact CG2-CG1 4.41Å; V992-V1090 HydrophobicContact CG2-CG2 4.32Å; L1043-V1090 HydrophobicContact CD2-CG2 3.56Å; V1086-V1090 HydrophobicContact CG1-CG2 3.73Å; V1086-V1090 WeakPolarHBondContact O-CB 3.31Å; V1086-V1090 VanDerWaalsContact O-CG2 3.31Å; V1086-V1090 WeakPolarHBondContact O-CG2 3.49Å; V1086-V1090 PolarHBondContact O-N 3.45Å; V1090-Q1092 PolarHBondContact O-N 3.06Å; V1090-S1093 PolarHBondContact O-N 2.99Å; V1090-S1093 VanDerWaalsContact O-N 3.14Å; V1090-I1094 HydrophobicContact CG1-CD1 3.7Å; V1090-I1094 HydrophobicContact CG1-CG1 4.4Å; V1090-I1094 WeakPolarHBondContact O-CB 3.41Å; V1090-I1094 WeakPolarHBondContact O-CG1 3.34Å; V1090-I1094 PolarHBondContact O-N 3.23Å
1091	L	53.7	Low	46.6	Very low	28 Å²	28	62.1 Å²	62.1	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-67.1	-36.2	176.5	-60.9	170.8	0	0	0	111.8	K985 V988 D1087 F1095	K985-L1091 HydrophobicContact CB-CD2 4.4Å; K985-L1091 HydrophobicContact CG-CD1 4.4Å; K985-L1091 HydrophobicContact CG-CD2 3.82Å; V988-L1091 HydrophobicContact CB-CD2 4.44Å; V988-L1091 HydrophobicContact CG1-CD2 4.11Å; V988-L1091 HydrophobicContact CG1-CG 4.48Å; D1087-L1091 HydrophobicContact CB-CD1 4.44Å; D1087-L1091 WeakPolarHBondContact O-CB 3.22Å; D1087-L1091 WeakPolarHBondContact O-CD1 3.42Å; D1087-L1091 WeakPolarHBondContact O-CG 3.41Å; D1087-L1091 PolarHBondContact O-N 3.15Å; L1091-F1095 HydrophobicContact CB-CD2 4.27Å; L1091-F1095 HydrophobicContact CD2-CD2 4.29Å; L1091-F1095 HydrophobicContact CD2-CE2 3.84Å; L1091-F1095 VanDerWaalsContact O-CB 3.27Å; L1091-F1095 WeakPolarHBondContact O-CB 3.46Å; L1091-F1095 VanDerWaalsContact O-CD2 3.26Å; L1091-F1095 WeakPolarHBondContact O-CD2 3.5Å; L1091-F1095 PolarHBondContact O-N 3.35Å
1092	Q	53.5	Low	46.5	Very low	89 Å²	89	64.2 Å²	64.2	42%	0.416	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-39	169.5	-86.9	-168.6	-21.7	0	0	111.7	L1088 V1090 S1096	L1088-Q1092 WeakPolarHBondContact O-CA 3.49Å; L1088-Q1092 WeakPolarHBondContact O-CB 3.42Å; L1088-Q1092 VanDerWaalsContact O-CG 3.24Å; L1088-Q1092 WeakPolarHBondContact O-CG 3.45Å; L1088-Q1092 PolarHBondContact O-N 3.2Å; V1090-Q1092 PolarHBondContact O-N 3.06Å; Q1092-S1096 WeakPolarHBondContact O-CA 3.33Å; Q1092-S1096 WeakPolarHBondContact O-CB 3.32Å; Q1092-S1096 PolarHBondContact O-N 3.3Å; Q1092-S1096 PolarHBondContact O-OG 3.15Å
1093	S	49.9	Very low	46.3	Very low	5 Å²	5	66 Å²	66	4%	0.035	33%	0.333	C	S	.	.	H	α-helix	trans	-70.5	-38.3	-178.6	-57.8	0	0	0	0	111.1	L1089 V1090 R1099 I1103	L1089-S1093 VanDerWaalsContact O-CB 3.24Å; L1089-S1093 WeakPolarHBondContact O-CB 3.49Å; L1089-S1093 PolarHBondContact O-N 3.37Å; L1089-S1093 PolarHBondContact O-OG 2.95Å; V1090-S1093 PolarHBondContact O-N 2.99Å; V1090-S1093 VanDerWaalsContact O-N 3.14Å; S1093-R1099 PolarHBondContact OG-NH1 2.82Å; S1093-I1103 WeakPolarHBondContact O-CD1 3.48Å
1094	I	47.4	Very low	45.8	Very low	47 Å²	47	65.6 Å²	65.6	24%	0.241	33%	0.334	C	S	.	.	H	α-helix	trans	-72.1	-35	175	-66.8	172.3	0	0	0	112.8	V988 L1021 V1090	V988-I1094 HydrophobicContact CG2-CD1 3.79Å; L1021-I1094 HydrophobicContact CD1-CG2 3.91Å; V1090-I1094 HydrophobicContact CG1-CD1 3.7Å; V1090-I1094 HydrophobicContact CG1-CG1 4.4Å; V1090-I1094 WeakPolarHBondContact O-CB 3.41Å; V1090-I1094 WeakPolarHBondContact O-CG1 3.34Å; V1090-I1094 PolarHBondContact O-N 3.23Å
1095	F	48	Very low	45.3	Very low	73 Å²	73	60.4 Å²	60.4	32%	0.32	32%	0.324	S	S	.	.	H	α-helix	trans	-111	-2.4	-173	-62.8	-61.8	0	0	0	116.4	K981 V984 K985 L1091	K981-F1095 HydrophobicContact CD-CE1 4.27Å; K981-F1095 HydrophobicContact CD-CZ 4.42Å; K981-F1095 HydrophobicContact CG-CD1 4.47Å; K981-F1095 HydrophobicContact CG-CE1 3.74Å; K981-F1095 HydrophobicContact CG-CE2 4.12Å; K981-F1095 HydrophobicContact CG-CZ 3.55Å; V984-F1095 HydrophobicContact CB-CZ 4.4Å; V984-F1095 HydrophobicContact CG1-CE2 4.49Å; V984-F1095 HydrophobicContact CG1-CZ 3.9Å; K985-F1095 HydrophobicContact CG-CE2 4.49Å; L1091-F1095 HydrophobicContact CB-CD2 4.27Å; L1091-F1095 HydrophobicContact CD2-CD2 4.29Å; L1091-F1095 HydrophobicContact CD2-CE2 3.84Å; L1091-F1095 VanDerWaalsContact O-CB 3.27Å; L1091-F1095 WeakPolarHBondContact O-CB 3.46Å; L1091-F1095 VanDerWaalsContact O-CD2 3.26Å; L1091-F1095 WeakPolarHBondContact O-CD2 3.5Å; L1091-F1095 PolarHBondContact O-N 3.35Å
1096	S	45.6	Very low	45.1	Very low	23 Å²	23	60.7 Å²	60.7	16%	0.161	33%	0.328	C	S	.	.			trans	-89.8	113.2	177	-55.2	0	0	0	0	111.5	Q1092 S1098 R1099 H1100	Q1092-S1096 WeakPolarHBondContact O-CA 3.33Å; Q1092-S1096 WeakPolarHBondContact O-CB 3.32Å; Q1092-S1096 PolarHBondContact O-N 3.3Å; Q1092-S1096 PolarHBondContact O-OG 3.15Å; S1096-S1098 PolarHBondContact O-N 2.91Å; S1096-R1099 PolarHBondContact O-N 3.36Å; S1096-H1100 PolarHBondContact O-N 3.01Å
1097	S	38.2	Very low	44.5	Very low	105 Å²	105	60.8 Å²	60.8	73%	0.734	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-18.6	166.5	52.4	0	0	0	0	113.8	P1101	S1097-P1101 VanDerWaalsContact O-CD 3.23Å; S1097-P1101 WeakPolarHBondContact O-CD 3.46Å
1098	S	37.4	Very low	43.9	Very low	95 Å²	95	67.2 Å²	67.2	66%	0.664	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-16	172.3	57.8	0	0	0	0	114.8	S1096	S1096-S1098 PolarHBondContact O-N 2.91Å
1099	R	41.2	Very low	43.4	Very low	73 Å²	73	71 Å²	71	28%	0.275	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-19.2	170.3	-69.3	-172.2	173.7	-139.9	-2.7	112.8	S1093 S1096 P1101 R1102 I1103	S1093-R1099 PolarHBondContact OG-NH1 2.82Å; S1096-R1099 PolarHBondContact O-N 3.36Å; R1099-P1101 VanDerWaalsContact C-N 3.28Å; R1099-R1102 WeakPolarHBondContact O-CA 3.35Å; R1099-R1102 WeakPolarHBondContact O-CB 3.4Å; R1099-R1102 PolarHBondContact O-N 3.42Å; R1099-I1103 PolarHBondContact O-N 3.49Å
1100	H	41.4	Very low	42.9	Very low	91 Å²	91	70.5 Å²	70.5	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-45.2	-45.5	165.5	-97.5	-81.6	0	0	0	112.9	S1096 R1102 I1103 D1104	S1096-H1100 PolarHBondContact O-N 3.01Å; H1100-R1102 PolarHBondContact O-N 2.86Å; H1100-I1103 CarbonylContact O-C 3.47Å; H1100-I1103 PolarHBondContact O-N 2.96Å; H1100-D1104 WeakPolarHBondContact O-CB 3.34Å; H1100-D1104 PolarHBondContact O-N 3.08Å
1101	P	35.1	Very low	42.1	Very low	82 Å²	82	75.5 Å²	75.5	53%	0.532	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-25.7	174.8	-27.2	35.8	0	0	0	115.4	S1097 R1099 A1105	S1097-P1101 VanDerWaalsContact O-CD 3.23Å; S1097-P1101 WeakPolarHBondContact O-CD 3.46Å; R1099-P1101 VanDerWaalsContact C-N 3.28Å; P1101-A1105 WeakPolarHBondContact O-CB 3.45Å; P1101-A1105 PolarHBondContact O-N 3.32Å
1102	R	39.4	Very low	41.5	Very low	160 Å²	160	78.6 Å²	78.6	60%	0.604	39%	0.393	S	S	*	.	H	α-helix	trans	-83.1	-40.7	176.9	-133.5	-176.5	179.2	-149.3	0.2	110.4	D1046 R1099 H1100 A1105 V1106	D1046-R1102 IonicContact OD2-NH1 2.87Å; D1046-R1102 PolarHBondContact OD2-NH1 3.4Å; R1099-R1102 WeakPolarHBondContact O-CA 3.35Å; R1099-R1102 WeakPolarHBondContact O-CB 3.4Å; R1099-R1102 PolarHBondContact O-N 3.42Å; H1100-R1102 PolarHBondContact O-N 2.86Å; R1102-A1105 PolarHBondContact O-N 3.36Å; R1102-V1106 WeakPolarHBondContact O-CG2 3.44Å; R1102-V1106 PolarHBondContact O-N 3Å
1103	I	38.4	Very low	41	Very low	56 Å²	56	79.2 Å²	79.2	29%	0.287	40%	0.399	S	S	.	.	H	α-helix	trans	-65.7	-43.6	171.3	-65.9	174.7	0	0	0	110.2	F1039 S1093 R1099 H1100 A1105 V1106 A1107	F1039-I1103 HydrophobicContact CE2-CG1 4.48Å; S1093-I1103 WeakPolarHBondContact O-CD1 3.48Å; R1099-I1103 PolarHBondContact O-N 3.49Å; H1100-I1103 CarbonylContact O-C 3.47Å; H1100-I1103 PolarHBondContact O-N 2.96Å; I1103-A1105 VanDerWaalsContact C-N 3.28Å; I1103-A1105 PolarHBondContact O-N 3.31Å; I1103-V1106 PolarHBondContact O-N 3.25Å; I1103-A1107 WeakPolarHBondContact O-CA 3.13Å; I1103-A1107 WeakPolarHBondContact O-CB 3.26Å; I1103-A1107 PolarHBondContact O-N 3.18Å
1104	D	40.6	Very low	40.3	Very low	59 Å²	59	80.7 Å²	80.7	32%	0.316	41%	0.407	S	S	.	.	H	α-helix	trans	-59.7	-34.1	168.9	-93	49	0	0	0	111.9	H1100 R1108	H1100-D1104 WeakPolarHBondContact O-CB 3.34Å; H1100-D1104 PolarHBondContact O-N 3.08Å; D1104-R1108 WeakPolarHBondContact O-CA 3.4Å; D1104-R1108 WeakPolarHBondContact O-CB 3.41Å; D1104-R1108 WeakPolarHBondContact O-CD 3.1Å; D1104-R1108 WeakPolarHBondContact O-CG 3.26Å; D1104-R1108 PolarHBondContact O-N 3.35Å; D1104-R1108 IonicContact OD2-CZ 2.75Å; D1104-R1108 IonicContact OD2-NE 3.7Å; D1104-R1108 IonicContact OD2-NH2 3.21Å; D1104-R1108 PolarHBondContact OD2-NH2 3.15Å
1105	A	40.9	Very low	39.8	Very low	45 Å²	45	81.2 Å²	81.2	37%	0.372	41%	0.411	S	S	.	.	H	α-helix	trans	-74.7	-37	177.5	0	0	0	0	0	112.3	P1101 R1102 I1103 R1109	P1101-A1105 WeakPolarHBondContact O-CB 3.45Å; P1101-A1105 PolarHBondContact O-N 3.32Å; R1102-A1105 PolarHBondContact O-N 3.36Å; I1103-A1105 VanDerWaalsContact C-N 3.28Å; I1103-A1105 PolarHBondContact O-N 3.31Å; A1105-R1109 WeakPolarHBondContact O-CB 3.33Å; A1105-R1109 VanDerWaalsContact O-CG 3.3Å; A1105-R1109 WeakPolarHBondContact O-CG 3.32Å; A1105-R1109 PolarHBondContact O-N 2.89Å
1106	V	40.1	Very low	39.6	Very low	62 Å²	62	82.4 Å²	82.4	38%	0.376	42%	0.421	S	S	.	.	H	α-helix	trans	-68.5	-49.6	170.6	174.3	0	0	0	0	109.7	R1102 I1103 R1108 R1109 S1110	R1102-V1106 WeakPolarHBondContact O-CG2 3.44Å; R1102-V1106 PolarHBondContact O-N 3Å; I1103-V1106 PolarHBondContact O-N 3.25Å; V1106-R1108 VanDerWaalsContact C-N 3.33Å; V1106-R1108 PolarHBondContact O-N 2.86Å; V1106-R1109 CarbonylContact O-C 3.55Å; V1106-R1109 PolarHBondContact O-N 3.31Å; V1106-R1109 VanDerWaalsContact O-N 3.11Å; V1106-S1110 PolarHBondContact O-N 3.03Å; V1106-S1110 PolarHBondContact O-OG 3.01Å; V1106-S1110 VanDerWaalsContact O-OG 3.1Å
1107	A	37.7	Very low	39.5	Very low	21 Å²	21	87.3 Å²	87.3	17%	0.174	44%	0.436	C	S	.	.	H	α-helix	trans	-57.9	-42	176.4	0	0	0	0	0	111.8	I1103 S1110 W1111	I1103-A1107 WeakPolarHBondContact O-CA 3.13Å; I1103-A1107 WeakPolarHBondContact O-CB 3.26Å; I1103-A1107 PolarHBondContact O-N 3.18Å; A1107-S1110 VanDerWaalsContact C-OG 3.26Å; A1107-S1110 WeakPolarHBondContact CA-OG 3.33Å; A1107-S1110 CarbonylContact O-C 3.59Å; A1107-S1110 PolarHBondContact O-N 2.91Å; A1107-S1110 PolarHBondContact O-OG 2.92Å; A1107-W1111 VanDerWaalsContact O-CB 3.31Å; A1107-W1111 WeakPolarHBondContact O-CB 3.49Å; A1107-W1111 PolarHBondContact O-N 3.1Å
1108	R	40.4	Very low	39.4	Very low	150 Å²	150	85.7 Å²	85.7	57%	0.566	42%	0.418	S	S	*	.	H	α-helix	trans	-70.8	-36.3	174.2	-73.1	168.7	-152.6	178.5	6.3	112.4	D1104 V1106 W1111 D1112	D1104-R1108 WeakPolarHBondContact O-CA 3.4Å; D1104-R1108 WeakPolarHBondContact O-CB 3.41Å; D1104-R1108 WeakPolarHBondContact O-CD 3.1Å; D1104-R1108 WeakPolarHBondContact O-CG 3.26Å; D1104-R1108 PolarHBondContact O-N 3.35Å; D1104-R1108 IonicContact OD2-CZ 2.75Å; D1104-R1108 IonicContact OD2-NE 3.7Å; D1104-R1108 IonicContact OD2-NH2 3.21Å; D1104-R1108 PolarHBondContact OD2-NH2 3.15Å; V1106-R1108 VanDerWaalsContact C-N 3.33Å; V1106-R1108 PolarHBondContact O-N 2.86Å; R1108-W1111 CarbonylContact O-C 3.59Å; R1108-W1111 PolarHBondContact O-N 2.86Å; R1108-D1112 WeakPolarHBondContact O-CA 3.48Å; R1108-D1112 VanDerWaalsContact O-CB 3.24Å; R1108-D1112 WeakPolarHBondContact O-CB 3.46Å; R1108-D1112 PolarHBondContact O-N 3.34Å
1109	R	40.9	Very low	39.3	Very low	184 Å²	184	85 Å²	85	69%	0.694	41%	0.406	S	S	*	.	H	α-helix	trans	-63.7	-43.4	170.4	-79.4	178	-179	-164.4	0	111.3	A1105 V1106 W1111 D1112 D1113	A1105-R1109 WeakPolarHBondContact O-CB 3.33Å; A1105-R1109 VanDerWaalsContact O-CG 3.3Å; A1105-R1109 WeakPolarHBondContact O-CG 3.32Å; A1105-R1109 PolarHBondContact O-N 2.89Å; V1106-R1109 CarbonylContact O-C 3.55Å; V1106-R1109 PolarHBondContact O-N 3.31Å; V1106-R1109 VanDerWaalsContact O-N 3.11Å; R1109-W1111 VanDerWaalsContact C-N 3.31Å; R1109-W1111 PolarHBondContact O-N 2.84Å; R1109-D1112 PolarHBondContact O-N 3.18Å; R1109-D1113 WeakPolarHBondContact O-CB 3.37Å; R1109-D1113 PolarHBondContact O-N 3.4Å
1110	S	37.6	Very low	39.5	Very low	13 Å²	13	85 Å²	85	9%	0.091	42%	0.417	C	S	.	.	H	α-helix	trans	-65.9	-31.6	172.1	52.1	0	0	0	0	113.1	V1106 A1107 V1114	V1106-S1110 PolarHBondContact O-N 3.03Å; V1106-S1110 PolarHBondContact O-OG 3.01Å; V1106-S1110 VanDerWaalsContact O-OG 3.1Å; A1107-S1110 VanDerWaalsContact C-OG 3.26Å; A1107-S1110 WeakPolarHBondContact CA-OG 3.33Å; A1107-S1110 CarbonylContact O-C 3.59Å; A1107-S1110 PolarHBondContact O-N 2.91Å; A1107-S1110 PolarHBondContact O-OG 2.92Å; S1110-V1114 WeakPolarHBondContact O-CA 3.5Å; S1110-V1114 WeakPolarHBondContact O-CB 3.38Å; S1110-V1114 WeakPolarHBondContact O-CG2 3.45Å; S1110-V1114 PolarHBondContact O-N 3.39Å
1111	W	37	Very low	39.4	Very low	125 Å²	125	83.2 Å²	83.2	47%	0.473	41%	0.409	S	S	.	.	H	α-helix	trans	-78.4	-25.9	173.1	-86.2	112.7	0	0	0	112.5	H1024 A1107 R1108 R1109 V1114 D1115	H1024-W1111 AromaticContact CD2-NE1 3.46Å; H1024-W1111 PolarHBondContact CD2-NE1 3.32Å; H1024-W1111 AromaticContact NE2-CD1 3.82Å; H1024-W1111 AromaticContact NE2-NE1 3.09Å; H1024-W1111 PolarHBondContact NE2-NE1 2.89Å; A1107-W1111 VanDerWaalsContact O-CB 3.31Å; A1107-W1111 WeakPolarHBondContact O-CB 3.49Å; A1107-W1111 PolarHBondContact O-N 3.1Å; R1108-W1111 CarbonylContact O-C 3.59Å; R1108-W1111 PolarHBondContact O-N 2.86Å; R1109-W1111 VanDerWaalsContact C-N 3.31Å; R1109-W1111 PolarHBondContact O-N 2.84Å; W1111-V1114 HydrophobicContact CE3-CG1 4.32Å; W1111-V1114 HydrophobicContact CZ3-CG1 4.39Å; W1111-D1115 WeakPolarHBondContact O-CA 3.47Å; W1111-D1115 WeakPolarHBondContact O-CB 3.26Å; W1111-D1115 PolarHBondContact O-N 3.29Å
1112	D	40.8	Very low	39.4	Very low	93 Å²	93	82.9 Å²	82.9	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-77.6	-37.6	172.8	-73.6	-35.7	0	0	0	109.3	R1108 R1109 N1116	R1108-D1112 WeakPolarHBondContact O-CA 3.48Å; R1108-D1112 VanDerWaalsContact O-CB 3.24Å; R1108-D1112 WeakPolarHBondContact O-CB 3.46Å; R1108-D1112 PolarHBondContact O-N 3.34Å; R1109-D1112 PolarHBondContact O-N 3.18Å; D1112-N1116 WeakPolarHBondContact O-CA 3.28Å; D1112-N1116 WeakPolarHBondContact O-CB 3.22Å; D1112-N1116 PolarHBondContact O-N 3.16Å; D1112-N1116 PolarHBondContact O-ND2 2.8Å
1113	D	42.4	Very low	39.3	Very low	102 Å²	102	83.1 Å²	83.1	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-76.1	-35.9	173.4	-73.5	-29.7	0	0	0	111.4	R1109 R1117	R1109-D1113 WeakPolarHBondContact O-CB 3.37Å; R1109-D1113 PolarHBondContact O-N 3.4Å; D1113-R1117 WeakPolarHBondContact O-CA 3.3Å; D1113-R1117 WeakPolarHBondContact O-CB 3.37Å; D1113-R1117 PolarHBondContact O-N 2.97Å
1114	V	35.6	Very low	39.3	Very low	35 Å²	35	86.4 Å²	86.4	21%	0.212	42%	0.418	C	S	.	.	H	α-helix	trans	-72.1	-34.9	169.1	167.4	0	0	0	0	111	S1110 W1111 I1118	S1110-V1114 WeakPolarHBondContact O-CA 3.5Å; S1110-V1114 WeakPolarHBondContact O-CB 3.38Å; S1110-V1114 WeakPolarHBondContact O-CG2 3.45Å; S1110-V1114 PolarHBondContact O-N 3.39Å; W1111-V1114 HydrophobicContact CE3-CG1 4.32Å; W1111-V1114 HydrophobicContact CZ3-CG1 4.39Å; V1114-I1118 HydrophobicContact CG1-CD1 3.47Å; V1114-I1118 VanDerWaalsContact CG1-CD1 3.47Å; V1114-I1118 HydrophobicContact CG1-CG1 4.01Å; V1114-I1118 WeakPolarHBondContact O-CA 3.23Å; V1114-I1118 WeakPolarHBondContact O-CB 3.37Å; V1114-I1118 WeakPolarHBondContact O-CG1 3.41Å; V1114-I1118 PolarHBondContact O-N 2.68Å
1115	D	38.2	Very low	39	Very low	59 Å²	59	86.2 Å²	86.2	32%	0.316	42%	0.415	S	S	.	.	H	α-helix	trans	-73.9	-37.6	171.7	-89	4.8	0	0	0	110.7	W1111 R1117 L1119	W1111-D1115 WeakPolarHBondContact O-CA 3.47Å; W1111-D1115 WeakPolarHBondContact O-CB 3.26Å; W1111-D1115 PolarHBondContact O-N 3.29Å; D1115-R1117 VanDerWaalsContact C-N 3.33Å; D1115-L1119 WeakPolarHBondContact O-CA 3.16Å; D1115-L1119 WeakPolarHBondContact O-CB 3.24Å; D1115-L1119 WeakPolarHBondContact O-CD1 3.41Å; D1115-L1119 WeakPolarHBondContact O-CG 3.46Å; D1115-L1119 PolarHBondContact O-N 3.09Å
1116	N	42.4	Very low	38.6	Very low	98 Å²	98	89.5 Å²	89.5	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-40.1	173.1	-78.6	-41.8	0	0	0	110.7	D1112 L1119 S1120	D1112-N1116 WeakPolarHBondContact O-CA 3.28Å; D1112-N1116 WeakPolarHBondContact O-CB 3.22Å; D1112-N1116 PolarHBondContact O-N 3.16Å; D1112-N1116 PolarHBondContact O-ND2 2.8Å; N1116-L1119 PolarHBondContact O-N 3.43Å; N1116-S1120 WeakPolarHBondContact O-CB 3.3Å; N1116-S1120 PolarHBondContact O-N 3.4Å; N1116-S1120 PolarHBondContact O-OG 3.11Å
1117	R	43	Very low	38.4	Very low	125 Å²	125	88 Å²	88	47%	0.472	42%	0.42	S	S	.	.	H	α-helix	trans	-79.5	-31.6	178.5	-172.7	170.6	172.6	170.8	8.1	112.8	Q1031 D1113 D1115 L1119 E1121	Q1031-R1117 VanDerWaalsContact CD-NH1 3.29Å; Q1031-R1117 VanDerWaalsContact NE2-CZ 3.27Å; Q1031-R1117 VanDerWaalsContact OE1-CD 3.25Å; D1113-R1117 WeakPolarHBondContact O-CA 3.3Å; D1113-R1117 WeakPolarHBondContact O-CB 3.37Å; D1113-R1117 PolarHBondContact O-N 2.97Å; D1115-R1117 VanDerWaalsContact C-N 3.33Å; R1117-L1119 VanDerWaalsContact C-N 3.34Å; R1117-E1121 HydrophobicContact CG-CG 4.17Å; R1117-E1121 WeakPolarHBondContact CG-OE1 3.31Å; R1117-E1121 IonicContact CZ-OE1 3.09Å; R1117-E1121 IonicContact NE-OE1 2.78Å; R1117-E1121 PolarHBondContact NE-OE1 3.22Å; R1117-E1121 IonicContact NH2-OE1 2.65Å; R1117-E1121 WeakPolarHBondContact O-CA 3.45Å; R1117-E1121 WeakPolarHBondContact O-CB 3.45Å; R1117-E1121 WeakPolarHBondContact O-CG 3.49Å; R1117-E1121 PolarHBondContact O-N 3.16Å
1118	I	36.5	Very low	38.4	Very low	71 Å²	71	89.1 Å²	89.1	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-73.2	-27.5	167.4	-72.5	175.7	0	0	0	109.9	V1114 E1121 M1122	V1114-I1118 HydrophobicContact CG1-CD1 3.47Å; V1114-I1118 VanDerWaalsContact CG1-CD1 3.47Å; V1114-I1118 HydrophobicContact CG1-CG1 4.01Å; V1114-I1118 WeakPolarHBondContact O-CA 3.23Å; V1114-I1118 WeakPolarHBondContact O-CB 3.37Å; V1114-I1118 WeakPolarHBondContact O-CG1 3.41Å; V1114-I1118 PolarHBondContact O-N 2.68Å; I1118-E1121 CarbonylContact O-C 3.56Å; I1118-M1122 HydrophobicContact CG2-CG 3.99Å; I1118-M1122 HydrophobicContact CG2-SD 3.73Å; I1118-M1122 VanDerWaalsContact O-CA 3.32Å; I1118-M1122 WeakPolarHBondContact O-CA 3.41Å; I1118-M1122 WeakPolarHBondContact O-CB 3.23Å; I1118-M1122 WeakPolarHBondContact O-CG 3.4Å; I1118-M1122 PolarHBondContact O-N 2.9Å
1119	L	36.5	Very low	37.9	Very low	80 Å²	80	88.9 Å²	88.9	42%	0.419	43%	0.428	S	S	.	.	H	α-helix	trans	-75.3	-42.7	171.6	-76.4	166.2	0	0	0	111.2	D1115 N1116 R1117 M1122 Y1123	D1115-L1119 WeakPolarHBondContact O-CA 3.16Å; D1115-L1119 WeakPolarHBondContact O-CB 3.24Å; D1115-L1119 WeakPolarHBondContact O-CD1 3.41Å; D1115-L1119 WeakPolarHBondContact O-CG 3.46Å; D1115-L1119 PolarHBondContact O-N 3.09Å; N1116-L1119 PolarHBondContact O-N 3.43Å; R1117-L1119 VanDerWaalsContact C-N 3.34Å; L1119-M1122 PolarHBondContact O-N 2.74Å; L1119-Y1123 WeakPolarHBondContact O-CB 3.36Å; L1119-Y1123 WeakPolarHBondContact O-CD2 3.2Å; L1119-Y1123 PolarHBondContact O-N 3.38Å
1120	S	44.4	Very low	37.5	Very low	73 Å²	73	86.2 Å²	86.2	51%	0.51	42%	0.422	S	S	.	.	H	α-helix	trans	-62.2	-50.9	169.7	-80.5	0	0	0	0	111	N1116 M1122 Y1123 E1124	N1116-S1120 WeakPolarHBondContact O-CB 3.3Å; N1116-S1120 PolarHBondContact O-N 3.4Å; N1116-S1120 PolarHBondContact O-OG 3.11Å; S1120-M1122 VanDerWaalsContact C-N 3.26Å; S1120-M1122 PolarHBondContact O-N 2.93Å; S1120-Y1123 CarbonylContact O-C 3.5Å; S1120-Y1123 PolarHBondContact O-N 3.28Å; S1120-E1124 WeakPolarHBondContact O-CG 3.14Å; S1120-E1124 PolarHBondContact O-N 3.2Å
1121	E	40	Very low	37.4	Very low	54 Å²	54	87.4 Å²	87.4	25%	0.252	43%	0.427	S	S	.	.	H	α-helix	trans	-65.6	-24.7	175.7	-70.5	179.7	-156.2	0	0	111.5	R1117 I1118 E1124 Q1125	R1117-E1121 HydrophobicContact CG-CG 4.17Å; R1117-E1121 WeakPolarHBondContact CG-OE1 3.31Å; R1117-E1121 IonicContact CZ-OE1 3.09Å; R1117-E1121 IonicContact NE-OE1 2.78Å; R1117-E1121 PolarHBondContact NE-OE1 3.22Å; R1117-E1121 IonicContact NH2-OE1 2.65Å; R1117-E1121 WeakPolarHBondContact O-CA 3.45Å; R1117-E1121 WeakPolarHBondContact O-CB 3.45Å; R1117-E1121 WeakPolarHBondContact O-CG 3.49Å; R1117-E1121 PolarHBondContact O-N 3.16Å; I1118-E1121 CarbonylContact O-C 3.56Å; E1121-E1124 CarbonylContact O-C 3.59Å; E1121-E1124 VanDerWaalsContact O-C 3.25Å; E1121-E1124 PolarHBondContact O-N 3.43Å; E1121-Q1125 VanDerWaalsContact O-CA 3.27Å; E1121-Q1125 WeakPolarHBondContact O-CA 3.04Å; E1121-Q1125 WeakPolarHBondContact O-CB 3.4Å; E1121-Q1125 WeakPolarHBondContact O-CG 3.08Å; E1121-Q1125 PolarHBondContact O-N 3.06Å; E1121-Q1125 PolarHBondContact OE2-NE2 2.67Å
1122	M	35	Very low	37.3	Very low	75 Å²	75	83 Å²	83	37%	0.369	42%	0.415	S	S	.	.	H	α-helix	trans	-80.1	-36.3	170.6	-81.9	176.8	62.4	0	0	112.6	I1118 L1119 S1120 E1124 Q1125 D1126	I1118-M1122 HydrophobicContact CG2-CG 3.99Å; I1118-M1122 HydrophobicContact CG2-SD 3.73Å; I1118-M1122 VanDerWaalsContact O-CA 3.32Å; I1118-M1122 WeakPolarHBondContact O-CA 3.41Å; I1118-M1122 WeakPolarHBondContact O-CB 3.23Å; I1118-M1122 WeakPolarHBondContact O-CG 3.4Å; I1118-M1122 PolarHBondContact O-N 2.9Å; L1119-M1122 PolarHBondContact O-N 2.74Å; S1120-M1122 VanDerWaalsContact C-N 3.26Å; S1120-M1122 PolarHBondContact O-N 2.93Å; M1122-E1124 PolarHBondContact O-N 3.29Å; M1122-Q1125 CarbonylContact O-C 3.59Å; M1122-Q1125 PolarHBondContact O-N 2.99Å; M1122-Q1125 VanDerWaalsContact O-N 3.08Å; M1122-D1126 WeakPolarHBondContact O-CB 3.48Å; M1122-D1126 PolarHBondContact O-N 2.76Å
1123	Y	36.6	Very low	37.2	Very low	165 Å²	165	81.5 Å²	81.5	65%	0.647	41%	0.407	S	S	*	.	H	α-helix	trans	-64.9	-17.6	166.6	-74	-56.7	0	0	0	111.7	L1119 S1120	L1119-Y1123 WeakPolarHBondContact O-CB 3.36Å; L1119-Y1123 WeakPolarHBondContact O-CD2 3.2Å; L1119-Y1123 PolarHBondContact O-N 3.38Å; S1120-Y1123 CarbonylContact O-C 3.5Å; S1120-Y1123 PolarHBondContact O-N 3.28Å
1124	E	39.6	Very low	37.2	Very low	126 Å²	126	80 Å²	80	59%	0.589	40%	0.401	S	S	*	.	H	α-helix	trans	-99.8	-14.1	167.4	-65.2	-177.1	179.6	0	0	114.7	R27 S1120 E1121 M1122	R27-E1124 PolarHBondContact NH2-O 3.09Å; S1120-E1124 WeakPolarHBondContact O-CG 3.14Å; S1120-E1124 PolarHBondContact O-N 3.2Å; E1121-E1124 CarbonylContact O-C 3.59Å; E1121-E1124 VanDerWaalsContact O-C 3.25Å; E1121-E1124 PolarHBondContact O-N 3.43Å; M1122-E1124 PolarHBondContact O-N 3.29Å
1125	Q	34.4	Very low	37.3	Very low	55 Å²	55	82.1 Å²	82.1	26%	0.257	41%	0.414	S	S	.	.	H	α-helix	trans	-108.1	-12	-176.8	-74.7	166.2	23.1	0	0	113.3	E1121 M1122 A1127 V1128 F1129	E1121-Q1125 VanDerWaalsContact O-CA 3.27Å; E1121-Q1125 WeakPolarHBondContact O-CA 3.04Å; E1121-Q1125 WeakPolarHBondContact O-CB 3.4Å; E1121-Q1125 WeakPolarHBondContact O-CG 3.08Å; E1121-Q1125 PolarHBondContact O-N 3.06Å; E1121-Q1125 PolarHBondContact OE2-NE2 2.67Å; M1122-Q1125 CarbonylContact O-C 3.59Å; M1122-Q1125 PolarHBondContact O-N 2.99Å; M1122-Q1125 VanDerWaalsContact O-N 3.08Å; Q1125-A1127 PolarHBondContact O-N 2.92Å; Q1125-A1127 VanDerWaalsContact O-N 3.11Å; Q1125-V1128 HydrophobicContact CB-CB 3.82Å; Q1125-V1128 HydrophobicContact CB-CG2 4.04Å; Q1125-V1128 HydrophobicContact CG-CB 3.79Å; Q1125-V1128 HydrophobicContact CG-CG1 4.28Å; Q1125-V1128 HydrophobicContact CG-CG2 3.67Å; Q1125-V1128 CarbonylContact O-C 3.57Å; Q1125-V1128 WeakPolarHBondContact O-CA 3.41Å; Q1125-V1128 PolarHBondContact O-N 2.95Å; Q1125-F1129 HydrophobicContact CB-CD2 3.88Å; Q1125-F1129 HydrophobicContact CB-CE2 3.96Å; Q1125-F1129 WeakPolarHBondContact O-CB 3.2Å; Q1125-F1129 WeakPolarHBondContact O-CD2 3.47Å; Q1125-F1129 PolarHBondContact O-N 3.23Å
1126	D	31.7	Very low	37.3	Very low	113 Å²	113	84.5 Å²	84.5	60%	0.604	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.7	151.1	-78	-11.5	0	0	0	110.2	M1122	M1122-D1126 WeakPolarHBondContact O-CB 3.48Å; M1122-D1126 PolarHBondContact O-N 2.76Å
1127	A	35.8	Very low	37.4	Very low	30 Å²	30	86 Å²	86	25%	0.248	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	26.4	165.6	0	0	0	0	0	114.3	R27 L31 Q1125	R27-A1127 VanDerWaalsContact CZ-O 3.3Å; R27-A1127 PolarHBondContact NE-O 2.86Å; R27-A1127 PolarHBondContact NH2-O 3.43Å; L31-A1127 HydrophobicContact CD1-CB 3.63Å; Q1125-A1127 PolarHBondContact O-N 2.92Å; Q1125-A1127 VanDerWaalsContact O-N 3.11Å
1128	V	36.8	Very low	37.3	Very low	46 Å²	46	83.8 Å²	83.8	28%	0.279	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-36.6	175.1	175.5	0	0	0	0	112.7	R27 Q1125 F1130	R27-V1128 HydrophobicContact CG-CG2 4.22Å; R27-V1128 VanDerWaalsContact NE-CG2 3.29Å; Q1125-V1128 HydrophobicContact CB-CB 3.82Å; Q1125-V1128 HydrophobicContact CB-CG2 4.04Å; Q1125-V1128 HydrophobicContact CG-CB 3.79Å; Q1125-V1128 HydrophobicContact CG-CG1 4.28Å; Q1125-V1128 HydrophobicContact CG-CG2 3.67Å; Q1125-V1128 CarbonylContact O-C 3.57Å; Q1125-V1128 WeakPolarHBondContact O-CA 3.41Å; Q1125-V1128 PolarHBondContact O-N 2.95Å; V1128-F1130 PolarHBondContact O-N 2.89Å; V1128-F1130 VanDerWaalsContact O-O 3.1Å
1129	F	30.8	Very low	37.5	Very low	144 Å²	144	84.6 Å²	84.6	63%	0.632	43%	0.43	S	S	*	.			trans	-67.2	-5.7	-160.9	-100.9	-69.3	0	0	0	116.7	Q1125	Q1125-F1129 HydrophobicContact CB-CD2 3.88Å; Q1125-F1129 HydrophobicContact CB-CE2 3.96Å; Q1125-F1129 WeakPolarHBondContact O-CB 3.2Å; Q1125-F1129 WeakPolarHBondContact O-CD2 3.47Å; Q1125-F1129 PolarHBondContact O-N 3.23Å
1130	F	32.4	Very low	37.9	Very low	128 Å²	128	86.1 Å²	86.1	56%	0.561	44%	0.438	S	S	*	.			trans	-86.1	117.9	165.4	-77.3	-88.7	0	0	0	110	R30 V1128	R30-F1130 HydrophobicContact CB-CB 4.49Å; R30-F1130 WeakPolarHBondContact CD-O 3.19Å; R30-F1130 PolarHBondContact NH1-O 3.26Å; V1128-F1130 PolarHBondContact O-N 2.89Å; V1128-F1130 VanDerWaalsContact O-O 3.1Å
1131	N	36.3	Very low	38	Very low	38 Å²	38	87.4 Å²	87.4	20%	0.203	44%	0.44	C	S	.	.			trans	-100.6	31.8	172.8	-130.4	42.3	0	0	0	119.4	R30 N1133 T1134 V1135	R30-N1131 WeakPolarHBondContact CD-OD1 3.44Å; R30-N1131 PolarHBondContact NE-OD1 3.5Å; R30-N1131 PolarHBondContact NH2-ND2 3.46Å; R30-N1131 PolarHBondContact NH2-OD1 2.83Å; N1131-N1133 VanDerWaalsContact C-N 3.26Å; N1131-N1133 PolarHBondContact O-N 3.46Å; N1131-N1133 PolarHBondContact OD1-N 3.16Å; N1131-T1134 WeakPolarHBondContact ND2-CG2 3.44Å; N1131-T1134 PolarHBondContact ND2-OG1 2.81Å; N1131-T1134 PolarHBondContact O-N 3.34Å; N1131-T1134 PolarHBondContact O-OG1 3.33Å; N1131-T1134 VanDerWaalsContact O-OG1 3.12Å; N1131-V1135 WeakPolarHBondContact O-CG2 3.46Å; N1131-V1135 PolarHBondContact O-N 3.43Å
1132	P	34.6	Very low	38	Very low	34 Å²	34	87.5 Å²	87.5	22%	0.221	45%	0.45	C	S	.	.	H	α-helix	trans	-57.2	-36.7	-170.9	28.1	-35.8	0	0	0	112.3	R30 T1134 V1135 E1136	R30-P1132 HydrophobicContact CB-CG 3.75Å; R30-P1132 HydrophobicContact CG-CG 3.63Å; P1132-T1134 PolarHBondContact O-N 2.93Å; P1132-V1135 CarbonylContact O-C 3.52Å; P1132-V1135 PolarHBondContact O-N 3.09Å; P1132-V1135 VanDerWaalsContact O-N 3.16Å; P1132-E1136 WeakPolarHBondContact O-CA 3.17Å; P1132-E1136 WeakPolarHBondContact O-CB 3.48Å; P1132-E1136 VanDerWaalsContact O-CG 3.24Å; P1132-E1136 WeakPolarHBondContact O-CG 3.39Å; P1132-E1136 PolarHBondContact O-N 2.91Å
1133	N	39.2	Very low	38.3	Very low	60 Å²	60	85.9 Å²	85.9	32%	0.321	45%	0.446	S	S	.	.	H	α-helix	trans	-63.8	-41.8	-178.1	-62.6	10.2	0	0	0	113.1	E26 N1131 E1137	E26-N1133 WeakPolarHBondContact OE1-CB 3.35Å; E26-N1133 PolarHBondContact OE1-ND2 2.94Å; E26-N1133 VanDerWaalsContact OE1-ND2 3.1Å; N1131-N1133 VanDerWaalsContact C-N 3.26Å; N1131-N1133 PolarHBondContact O-N 3.46Å; N1131-N1133 PolarHBondContact OD1-N 3.16Å; N1133-E1137 PolarHBondContact O-N 3.26Å
1134	T	42.3	Very low	38.4	Very low	70 Å²	70	80.5 Å²	80.5	43%	0.429	44%	0.435	S	S	.	.	H	α-helix	trans	-76.7	-28.6	175.1	44.9	0	0	0	0	112.7	N1131 P1132 E1138	N1131-T1134 WeakPolarHBondContact ND2-CG2 3.44Å; N1131-T1134 PolarHBondContact ND2-OG1 2.81Å; N1131-T1134 PolarHBondContact O-N 3.34Å; N1131-T1134 PolarHBondContact O-OG1 3.33Å; N1131-T1134 VanDerWaalsContact O-OG1 3.12Å; P1132-T1134 PolarHBondContact O-N 2.93Å; T1134-E1138 WeakPolarHBondContact O-CB 3.3Å; T1134-E1138 WeakPolarHBondContact O-CG 3.47Å; T1134-E1138 PolarHBondContact O-N 3.21Å
1135	V	36.4	Very low	38.3	Very low	80 Å²	80	80.9 Å²	80.9	49%	0.485	44%	0.442	S	S	.	.	H	α-helix	trans	-74	-32.6	173.8	174.1	0	0	0	0	110.6	N1131 P1132 V1139	N1131-V1135 WeakPolarHBondContact O-CG2 3.46Å; N1131-V1135 PolarHBondContact O-N 3.43Å; P1132-V1135 CarbonylContact O-C 3.52Å; P1132-V1135 PolarHBondContact O-N 3.09Å; P1132-V1135 VanDerWaalsContact O-N 3.16Å; V1135-V1139 HydrophobicContact CG1-CG2 4.31Å; V1135-V1139 WeakPolarHBondContact O-CB 3.5Å; V1135-V1139 WeakPolarHBondContact O-CG2 3.47Å; V1135-V1139 PolarHBondContact O-N 3.43Å
1136	E	38.9	Very low	38.3	Very low	110 Å²	110	82.6 Å²	82.6	51%	0.514	46%	0.456	S	S	.	.	H	α-helix	trans	-77.3	-36.1	175	-75.3	171.3	-160.7	0	0	111	P1132 V1139 L1140	P1132-E1136 WeakPolarHBondContact O-CA 3.17Å; P1132-E1136 WeakPolarHBondContact O-CB 3.48Å; P1132-E1136 VanDerWaalsContact O-CG 3.24Å; P1132-E1136 WeakPolarHBondContact O-CG 3.39Å; P1132-E1136 PolarHBondContact O-N 2.91Å; E1136-V1139 PolarHBondContact O-N 3.49Å; E1136-L1140 WeakPolarHBondContact O-CA 3.26Å; E1136-L1140 WeakPolarHBondContact O-CB 3.32Å; E1136-L1140 WeakPolarHBondContact O-CD1 3.16Å; E1136-L1140 WeakPolarHBondContact O-CG 3.48Å; E1136-L1140 PolarHBondContact O-N 2.73Å
1137	E	43.5	Very low	38.4	Very low	129 Å²	129	83.4 Å²	83.4	60%	0.603	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-42.7	165.9	-96.1	-168.6	145.4	0	0	111.6	N1133 V1139 N1141	N1133-E1137 PolarHBondContact O-N 3.26Å; E1137-V1139 VanDerWaalsContact C-N 3.34Å; E1137-V1139 PolarHBondContact O-N 3.41Å; E1137-N1141 VanDerWaalsContact O-CB 3.29Å; E1137-N1141 WeakPolarHBondContact O-CB 3.44Å; E1137-N1141 VanDerWaalsContact O-CG 3.3Å; E1137-N1141 PolarHBondContact O-N 3Å; E1137-N1141 PolarHBondContact O-ND2 3.09Å
1138	E	40.7	Very low	38.5	Very low	79 Å²	79	88 Å²	88	37%	0.369	48%	0.483	S	S	.	.	H	α-helix	trans	-65.9	-34.6	174.5	-77.8	-169.4	114.6	0	0	112.6	R923 T1134 A1142	R923-E1138 WeakPolarHBondContact CD-OE1 3.27Å; R923-E1138 IonicContact CZ-OE1 2.66Å; R923-E1138 IonicContact CZ-OE2 3.95Å; R923-E1138 IonicContact NE-OE1 2.66Å; R923-E1138 IonicContact NH1-OE1 3.76Å; R923-E1138 PolarHBondContact NH1-OE1 2.88Å; R923-E1138 IonicContact NH1-OE2 3.41Å; R923-E1138 PolarHBondContact NH1-OE2 3.18Å; T1134-E1138 WeakPolarHBondContact O-CB 3.3Å; T1134-E1138 WeakPolarHBondContact O-CG 3.47Å; T1134-E1138 PolarHBondContact O-N 3.21Å; E1138-A1142 WeakPolarHBondContact O-CB 3.13Å; E1138-A1142 PolarHBondContact O-N 3.17Å
1139	V	42	Very low	38.3	Very low	87 Å²	87	90 Å²	90	53%	0.527	50%	0.5	S	S	.	.	H	α-helix	trans	-81	-30.5	177.9	167	0	0	0	0	112.2	V1135 E1136 E1137 S1143	V1135-V1139 HydrophobicContact CG1-CG2 4.31Å; V1135-V1139 WeakPolarHBondContact O-CB 3.5Å; V1135-V1139 WeakPolarHBondContact O-CG2 3.47Å; V1135-V1139 PolarHBondContact O-N 3.43Å; E1136-V1139 PolarHBondContact O-N 3.49Å; E1137-V1139 VanDerWaalsContact C-N 3.34Å; E1137-V1139 PolarHBondContact O-N 3.41Å; V1139-S1143 WeakPolarHBondContact O-CA 3.44Å; V1139-S1143 WeakPolarHBondContact O-CB 3.32Å; V1139-S1143 PolarHBondContact O-N 2.8Å; V1139-S1143 PolarHBondContact O-OG 2.94Å
1140	L	43.5	Very low	38.4	Very low	112 Å²	112	92.1 Å²	92.1	59%	0.586	51%	0.511	S	S	*	.	H	α-helix	trans	-72.8	-40.9	172.9	-76.1	165.3	0	0	0	110.8	E1136 S1143 A1144	E1136-L1140 WeakPolarHBondContact O-CA 3.26Å; E1136-L1140 WeakPolarHBondContact O-CB 3.32Å; E1136-L1140 WeakPolarHBondContact O-CD1 3.16Å; E1136-L1140 WeakPolarHBondContact O-CG 3.48Å; E1136-L1140 PolarHBondContact O-N 2.73Å; L1140-S1143 WeakPolarHBondContact CA-OG 3.43Å; L1140-S1143 PolarHBondContact O-OG 3.25Å; L1140-A1144 VanDerWaalsContact O-CB 3.24Å; L1140-A1144 WeakPolarHBondContact O-CB 3.16Å; L1140-A1144 PolarHBondContact O-N 3.08Å
1141	N	46.4	Very low	38.5	Very low	100 Å²	100	94.6 Å²	94.6	54%	0.535	53%	0.525	S	S	.	.	H	α-helix	trans	-69	-46.1	172.8	-69.5	-53.2	0	0	0	111	E1137 S1143 A1144 D1145	E1137-N1141 VanDerWaalsContact O-CB 3.29Å; E1137-N1141 WeakPolarHBondContact O-CB 3.44Å; E1137-N1141 VanDerWaalsContact O-CG 3.3Å; E1137-N1141 PolarHBondContact O-N 3Å; E1137-N1141 PolarHBondContact O-ND2 3.09Å; N1141-S1143 VanDerWaalsContact C-N 3.28Å; N1141-S1143 PolarHBondContact O-N 3.47Å; N1141-A1144 PolarHBondContact O-N 3.24Å; N1141-D1145 PolarHBondContact O-N 3.45Å
1142	A	41	Very low	38.4	Very low	56 Å²	56	98.9 Å²	98.9	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-69.7	-20.4	176.6	0	0	0	0	0	114	E1138 V1146	E1138-A1142 WeakPolarHBondContact O-CB 3.13Å; E1138-A1142 PolarHBondContact O-N 3.17Å; A1142-V1146 WeakPolarHBondContact O-CG2 3.31Å
1143	S	41.4	Very low	38.5	Very low	41 Å²	41	102.1 Å²	102.1	29%	0.287	57%	0.567	S	S	.	*	H	α-helix	trans	-86.4	-32.4	169.6	59.3	0	0	0	0	112.3	V1139 L1140 N1141 D1145 V1146 I1147	V1139-S1143 WeakPolarHBondContact O-CA 3.44Å; V1139-S1143 WeakPolarHBondContact O-CB 3.32Å; V1139-S1143 PolarHBondContact O-N 2.8Å; V1139-S1143 PolarHBondContact O-OG 2.94Å; L1140-S1143 WeakPolarHBondContact CA-OG 3.43Å; L1140-S1143 PolarHBondContact O-OG 3.25Å; N1141-S1143 VanDerWaalsContact C-N 3.28Å; N1141-S1143 PolarHBondContact O-N 3.47Å; S1143-D1145 VanDerWaalsContact C-N 3.31Å; S1143-D1145 PolarHBondContact O-N 3.39Å; S1143-V1146 CarbonylContact O-C 3.52Å; S1143-V1146 PolarHBondContact O-N 2.95Å; S1143-I1147 WeakPolarHBondContact O-CB 3.36Å; S1143-I1147 WeakPolarHBondContact O-CD1 3.35Å; S1143-I1147 WeakPolarHBondContact O-CG1 3.24Å; S1143-I1147 PolarHBondContact O-N 3.31Å
1144	A	38.7	Very low	38.6	Very low	52 Å²	52	104.1 Å²	104.1	43%	0.43	58%	0.582	S	S	.	*	H	α-helix	trans	-58.1	-43.9	169.4	0	0	0	0	0	111.5	L1140 N1141 V1146 I1147	L1140-A1144 VanDerWaalsContact O-CB 3.24Å; L1140-A1144 WeakPolarHBondContact O-CB 3.16Å; L1140-A1144 PolarHBondContact O-N 3.08Å; N1141-A1144 PolarHBondContact O-N 3.24Å; A1144-V1146 PolarHBondContact O-N 3.32Å; A1144-I1147 PolarHBondContact O-N 3.45Å
1145	D	37	Very low	38.5	Very low	135 Å²	135	104.9 Å²	104.9	72%	0.722	59%	0.586	S	S	*	*	H	α-helix	trans	-65.6	-22.8	173.7	-76.3	-21.7	0	0	0	113.5	N1141 S1143	N1141-D1145 PolarHBondContact O-N 3.45Å; S1143-D1145 VanDerWaalsContact C-N 3.31Å; S1143-D1145 PolarHBondContact O-N 3.39Å
1146	V	35.5	Very low	38.7	Very low	91 Å²	91	105.1 Å²	105.1	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-91	-28.9	177	168.2	0	0	0	0	112.6	A1142 S1143 A1144 V1148 S1149	A1142-V1146 WeakPolarHBondContact O-CG2 3.31Å; S1143-V1146 CarbonylContact O-C 3.52Å; S1143-V1146 PolarHBondContact O-N 2.95Å; A1144-V1146 PolarHBondContact O-N 3.32Å; V1146-V1148 PolarHBondContact O-N 3.38Å; V1146-V1148 VanDerWaalsContact O-N 3.16Å; V1146-S1149 WeakPolarHBondContact O-CB 3.19Å; V1146-S1149 PolarHBondContact O-N 2.89Å
1147	I	33.9	Very low	38.8	Very low	130 Å²	130	105.2 Å²	105.2	67%	0.667	59%	0.588	S	S	*	*	H	α-helix	trans	-67.6	-11.7	179.8	-76.4	162	0	0	0	112.5	S1143 A1144 S1149	S1143-I1147 WeakPolarHBondContact O-CB 3.36Å; S1143-I1147 WeakPolarHBondContact O-CD1 3.35Å; S1143-I1147 WeakPolarHBondContact O-CG1 3.24Å; S1143-I1147 PolarHBondContact O-N 3.31Å; A1144-I1147 PolarHBondContact O-N 3.45Å; I1147-S1149 PolarHBondContact O-N 3.11Å
1148	V	36.3	Very low	38.9	Very low	126 Å²	126	105.8 Å²	105.8	76%	0.764	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-15.9	165.8	-175.3	0	0	0	0	112.1	V1146	V1146-V1148 PolarHBondContact O-N 3.38Å; V1146-V1148 VanDerWaalsContact O-N 3.16Å
1149	S	33.5	Very low	38.7	Very low	89 Å²	89	105.1 Å²	105.1	62%	0.622	59%	0.594	S	S	*	*	S	Bend	trans	-91.8	125.8	172.4	-58.1	0	0	0	0	112.1	V1146 I1147	V1146-S1149 WeakPolarHBondContact O-CB 3.19Å; V1146-S1149 PolarHBondContact O-N 2.89Å; I1147-S1149 PolarHBondContact O-N 3.11Å
1150	Q	32.1	Very low	38.6	Very low	188 Å²	188	106.8 Å²	106.8	88%	0.879	60%	0.599	S	S	*	*	S	Bend	trans	-67.8	129.5	178.6	-61.3	164.8	-12.3	0	0	111
1151	E	35.8	Very low	38.7	Very low	180 Å²	180	110 Å²	110	84%	0.841	60%	0.604	S	S	*	*			trans	165.1	-6.9	141.8	-95	-178.6	168.8	0	0	116	P1153	E1151-P1153 WeakPolarHBondContact O-CD 3.48Å
1152	I	34.2	Very low	38.5	Very low	128 Å²	128	112.2 Å²	112.2	66%	0.656	62%	0.615	S	S	*	*			trans	-108	60.2	-165.8	-35.3	179.4	0	0	0	117.4
1153	P	36.2	Very low	38.6	Very low	102 Å²	102	115.9 Å²	115.9	66%	0.662	63%	0.625	S	S	*	*	S	Bend	trans	-85.4	-28.4	169.7	-13	30	0	0	0	115.6	E1151	E1151-P1153 WeakPolarHBondContact O-CD 3.48Å
1154	T	42	Very low	38.4	Very low	101 Å²	101	124.5 Å²	124.5	62%	0.62	65%	0.651	S	S	*	*	H	α-helix	trans	-84.2	-34.7	-161.1	41.1	0	0	0	0	115.4	E1157	T1154-E1157 PolarHBondContact O-N 3.47Å
1155	V	39.1	Very low	38.3	Very low	87 Å²	87	131.6 Å²	131.6	53%	0.527	69%	0.693	S	S	.	*	H	α-helix	trans	-70.7	-37.8	-172.8	-177.4	0	0	0	0	112	E1157 E1158 C1159	V1155-E1157 VanDerWaalsContact C-N 3.28Å; V1155-E1157 PolarHBondContact O-N 2.71Å; V1155-E1158 PolarHBondContact O-N 3.34Å; V1155-C1159 PolarHBondContact O-N 3.16Å; V1155-C1159 VanDerWaalsContact O-N 3.13Å; V1155-C1159 PolarHBondContact O-SG 2.86Å; V1155-C1159 VanDerWaalsContact O-SG 3.4Å
1156	V	41.2	Very low	38.4	Very low	84 Å²	84	131.4 Å²	131.4	51%	0.509	69%	0.691	S	S	.	*	H	α-helix	trans	-66.4	-32.8	-180	-176.2	0	0	0	0	111.2	C1159 L1160	V1156-C1159 PolarHBondContact O-N 2.8Å; V1156-L1160 HydrophobicContact CG1-CD1 3.99Å; V1156-L1160 HydrophobicContact CG1-CG 4.42Å; V1156-L1160 WeakPolarHBondContact O-CB 3.48Å; V1156-L1160 WeakPolarHBondContact O-CG 3.47Å; V1156-L1160 PolarHBondContact O-N 2.9Å
1157	E	41.8	Very low	38.5	Very low	113 Å²	113	133.5 Å²	133.5	53%	0.528	70%	0.698	S	S	.	*	H	α-helix	trans	-72.2	-30.5	179.3	-149	-164.3	156	0	0	112.8	T1154 V1155 R1161	T1154-E1157 PolarHBondContact O-N 3.47Å; V1155-E1157 VanDerWaalsContact C-N 3.28Å; V1155-E1157 PolarHBondContact O-N 2.71Å; E1157-R1161 PolarHBondContact O-N 3.35Å; E1157-R1161 IonicContact OE1-CZ 2.94Å; E1157-R1161 IonicContact OE1-NH1 3.26Å; E1157-R1161 PolarHBondContact OE1-NH1 2.91Å
1158	E	44.4	Very low	38.8	Very low	141 Å²	141	133.7 Å²	133.7	66%	0.659	70%	0.7	S	S	*	*	H	α-helix	trans	-72.2	-44.7	169.3	-73.6	-156.2	131.8	0	0	111.9	V1155 L1160 R1161 L1162	V1155-E1158 PolarHBondContact O-N 3.34Å; E1158-L1160 VanDerWaalsContact C-N 3.31Å; E1158-L1160 PolarHBondContact O-N 3.28Å; E1158-R1161 WeakPolarHBondContact O-CB 3.47Å; E1158-R1161 PolarHBondContact O-N 3.17Å; E1158-R1161 VanDerWaalsContact O-N 3.08Å; E1158-L1162 PolarHBondContact O-N 3.43Å
1159	C	36.1	Very low	38.9	Very low	64 Å²	64	134.2 Å²	134.2	43%	0.432	70%	0.697	S	S	.	*	H	α-helix	trans	-58.9	-41.4	177.6	-67.3	0	0	0	0	112.2	V1155 V1156 R1161 L1162 I1163	V1155-C1159 PolarHBondContact O-N 3.16Å; V1155-C1159 VanDerWaalsContact O-N 3.13Å; V1155-C1159 PolarHBondContact O-SG 2.86Å; V1155-C1159 VanDerWaalsContact O-SG 3.4Å; V1156-C1159 PolarHBondContact O-N 2.8Å; C1159-R1161 VanDerWaalsContact C-N 3.33Å; C1159-R1161 PolarHBondContact O-N 2.71Å; C1159-L1162 PolarHBondContact O-N 3.36Å; C1159-I1163 WeakPolarHBondContact O-CD1 3.48Å; C1159-I1163 WeakPolarHBondContact O-CG1 2.87Å
1160	L	41.5	Very low	39.3	Very low	122 Å²	122	137 Å²	137	64%	0.639	70%	0.701	S	S	*	*	H	α-helix	trans	-72	-23.3	176.9	-69.8	172.2	0	0	0	113.5	V1156 E1158 L1162	V1156-L1160 HydrophobicContact CG1-CD1 3.99Å; V1156-L1160 HydrophobicContact CG1-CG 4.42Å; V1156-L1160 WeakPolarHBondContact O-CB 3.48Å; V1156-L1160 WeakPolarHBondContact O-CG 3.47Å; V1156-L1160 PolarHBondContact O-N 2.9Å; E1158-L1160 VanDerWaalsContact C-N 3.31Å; E1158-L1160 PolarHBondContact O-N 3.28Å; L1160-L1162 VanDerWaalsContact C-N 3.32Å
1161	R	44.8	Very low	39.8	Very low	181 Å²	181	133.6 Å²	133.6	68%	0.683	69%	0.689	S	S	*	*	H	α-helix	trans	-73	-20.7	171.2	-92.6	-175.5	168.8	94.6	0.4	113.7	E1157 E1158 C1159	E1157-R1161 PolarHBondContact O-N 3.35Å; E1157-R1161 IonicContact OE1-CZ 2.94Å; E1157-R1161 IonicContact OE1-NH1 3.26Å; E1157-R1161 PolarHBondContact OE1-NH1 2.91Å; E1158-R1161 WeakPolarHBondContact O-CB 3.47Å; E1158-R1161 PolarHBondContact O-N 3.17Å; E1158-R1161 VanDerWaalsContact O-N 3.08Å; C1159-R1161 VanDerWaalsContact C-N 3.33Å; C1159-R1161 PolarHBondContact O-N 2.71Å
1162	L	42.1	Very low	40	Very low	146 Å²	146	130.3 Å²	130.3	76%	0.764	68%	0.678	S	S	*	*	S	Bend	trans	-90.7	-9.1	-176.7	-74.8	163	0	0	0	114.5	E1158 C1159 L1160	E1158-L1162 PolarHBondContact O-N 3.43Å; C1159-L1162 PolarHBondContact O-N 3.36Å; L1160-L1162 VanDerWaalsContact C-N 3.32Å
1163	I	42.1	Very low	40.5	Very low	133 Å²	133	130.5 Å²	130.5	68%	0.682	68%	0.68	S	S	*	*	S	Bend	trans	-111.1	7.8	-165.4	-63.6	170.8	0	0	0	113	C1159	C1159-I1163 WeakPolarHBondContact O-CD1 3.48Å; C1159-I1163 WeakPolarHBondContact O-CG1 2.87Å
1164	R	38	Very low	40.9	Very low	222 Å²	222	132.8 Å²	132.8	84%	0.838	68%	0.682	S	S	*	*			trans	-119.3	134.9	170.4	-77.2	-173.2	177.9	170.4	1.1	112.3
1165	P	37.2	Very low	40.7	Very low	200 Å²	200	135.7 Å²	135.7	100%	1.299	69%	0.687	S	S	*	*			trans	-74.6	0	164.6	34.9	-35.4	0	0	0	112.3

Retrieved 1,165 of 1,165 residues in 939.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).