A0A3Q0KTI6_SCHMA Loading...

Ras guanine nucleotide exchange factor,putative

AlphaFold DB , UniProt , Accession A0A3Q0KTI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,155 aa.

						>A0A3Q0KTI6_SCHMA|A0A3Q0KTI6
MSVDVITPQLRQKVLDQLREVTSTRKLPKSPEEIENLMLEKSRGVKKTYLNLLSKVINSSSTGSGMPANVHVPPNDPNIQMQSVGNNFQLSGQQQQQLMNTQIISLPRSGPTTIQSHPQILQVMSQNMSNNINNIQINHNRPRYTISSHPIQPQYQSYSQKGIIQQDGTILGSSSTHCIPVSTIPNRVFLPSGVAVTQSSQIIQCTTGSGQQPVLIFQQPQSQNTSQITSLSSADQSLSRQSIISSQTMGSSTSIKPGCQQDGVYERLSGRRIRVATSSPNAVLIRTSSSGCLTVINPSGTTSELSHINSGQHSLHGANDNSPLSISSTAVSKPVLTVIPNPTGTQTKIIRPSLSQSPKVGLIPNSQLQTRSNVPVTQQYQPRPTIQSNPTPVISKVQSFAQGELQISDKDNNLPETSTTSNTATTTTSTTSNKKGGEVKSSEVQAQIVSGLTDIANRYLSTVKHAIQLASKRPEASGCVRKYIKLKDILEHPEANLNVLSFAQLPLIEKLLHEIERNPMHLVEEHLQRQAKANATISSHGTSSSSSSSTNTSKTSAIGHMQSQKQDSQQQQSQQSQLPRHHLNQQSSQSHSVPASNQQKHSTVISQQSLNHFQVPTTNLNTLLSQNFDAPSPTGVVDIQQQGVHPRPPTHFSPAGINPTISSTQSPDISTKTSTAVSGPVVEHGQLPHPNRIATSASLLGSSTQSNTEPTGFYASLQLLATEFERISDRMLQDQAYSRRIFRAIHEISLETKSFRESIGFCLPQDTDQFVRENNKCTLTTVDDYSNKTNPLITSNLTGNNDNNDTVLNSLKRKHSCDDDDSNNISQPNTTGLNSFVKSNEQIDEPIISNTVSLSPSSSSSSANEYEPKAKRVCVSSVSGNDKNEKSDSHIQHPASINTTTTNNNADELQTPTLLTDKDGAGVFLPTLSSPLSSSVIKTDHQGLIGSSEKLFLRTDIVYNPESDPLEEFPTDQLNRLNPKILIEISKLQAINIQVEGNSHPPCIDDMESYATCLDAGEWNTSCHLKLTYLDKACYLPCKLPEFYIRLTPDYLQTGQLNWYYLPKLKFLSLLNNSIKDNVNHLENSERYLNLYYDELNKQFDRMKQLTDHRKSLVKIGKTWTSVICASMARFYKFDHNLLIITSIKSTQQNSQSVN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	75	Confident	173 Å²	173	93.2 Å²	93.2	85%	0.852	51%	0.514	S	S	*	.				0	149.6	0	-65.7	175.5	179.2	0	0	108.4	V3	M1-V3 PolarHBondContact O-N 3.26Å
2	S	43.6	Very low	76.4	Confident	119 Å²	119	92.9 Å²	92.9	83%	0.832	51%	0.506	S	S	*	.			trans	-71.4	123	166.3	-168.5	0	0	0	0	108.3	D4	S2-D4 PolarHBondContact O-N 3.2Å
3	V	53.1	Low	77.6	Confident	100 Å²	100	96.1 Å²	96.1	61%	0.606	51%	0.512	S	S	*	.			trans	-69.6	123.4	171.7	-179.9	0	0	0	0	107	M1 V5	M1-V3 PolarHBondContact O-N 3.26Å; V3-V5 VanDerWaalsContact C-N 3.33Å; V3-V5 HydrophobicContact CB-CG2 4.49Å; V3-V5 HydrophobicContact CG1-CG2 4.3Å; V3-V5 WeakPolarHBondContact O-CG2 3.43Å; V3-V5 PolarHBondContact O-N 3.03Å
4	D	68	Low	78.8	Confident	91 Å²	91	89.4 Å²	89.4	49%	0.487	48%	0.476	S	S	.	.			trans	-81.1	85.4	-177.5	-152.9	11.6	0	0	0	108.3	S2 K46	S2-D4 PolarHBondContact O-N 3.2Å; D4-K46 HydrophobicContact CB-CB 4.31Å; D4-K46 HydrophobicContact CB-CD 4.43Å; D4-K46 WeakPolarHBondContact O-CB 3.48Å; D4-K46 PolarHBondContact O-N 3.19Å; D4-K46 IonicContact OD1-NZ 2.75Å; D4-K46 PolarHBondContact OD1-NZ 3.19Å; D4-K46 WeakPolarHBondContact OD2-CD 3.43Å; D4-K46 WeakPolarHBondContact OD2-CE 3.5Å; D4-K46 IonicContact OD2-NZ 3.56Å; D4-K46 PolarHBondContact OD2-NZ 3.4Å
5	V	80.1	Confident	79.8	Confident	91 Å²	91	85.2 Å²	85.2	55%	0.552	45%	0.454	S	S	*	.	B	Isolated β-bridge	trans	-71.8	143.6	-171.3	-178.1	0	0	0	0	111.3	V3 T7	V3-V5 VanDerWaalsContact C-N 3.33Å; V3-V5 HydrophobicContact CB-CG2 4.49Å; V3-V5 HydrophobicContact CG1-CG2 4.3Å; V3-V5 WeakPolarHBondContact O-CG2 3.43Å; V3-V5 PolarHBondContact O-N 3.03Å; V5-T7 PolarHBondContact O-N 2.84Å; V5-T7 VanDerWaalsContact O-N 3.17Å
6	I	87	Confident	80.7	Confident	21 Å²	21	84.1 Å²	84.1	11%	0.108	45%	0.448	C	S	.	.			trans	-70.8	105.7	171.5	-57	168.8	0	0	0	109.2	L10 R11 L39 S42 K46 Y49	I6-L10 HydrophobicContact CG2-CD2 4.44Å; I6-R11 HydrophobicContact CG2-CG 3.75Å; I6-L39 HydrophobicContact CD1-CD2 3.87Å; I6-L39 HydrophobicContact CG2-CD2 4.2Å; I6-S42 WeakPolarHBondContact CD1-OG 3.27Å; I6-K46 HydrophobicContact CG1-CB 4.38Å; I6-Y49 HydrophobicContact CD1-CD1 4.11Å; I6-Y49 HydrophobicContact CD1-CD2 3.9Å; I6-Y49 HydrophobicContact CD1-CG 3.65Å; I6-Y49 HydrophobicContact CG1-CD1 4.19Å; I6-Y49 HydrophobicContact CG1-CG 4.18Å; I6-Y49 HydrophobicContact CG2-CD1 3.98Å; I6-Y49 HydrophobicContact CG2-CE1 3.84Å
7	T	89.4	Confident	81.3	Confident	64 Å²	64	83.5 Å²	83.5	39%	0.393	44%	0.442	S	S	.	.			trans	-78	154.8	179.4	60.7	0	0	0	0	112.2	V5 Q9 L10 R11	V5-T7 PolarHBondContact O-N 2.84Å; V5-T7 VanDerWaalsContact O-N 3.17Å; T7-Q9 VanDerWaalsContact C-N 3.26Å; T7-Q9 PolarHBondContact O-N 3.05Å; T7-L10 WeakPolarHBondContact O-CB 3.48Å; T7-L10 PolarHBondContact O-N 2.95Å; T7-L10 WeakPolarHBondContact OG1-CB 3.46Å; T7-L10 PolarHBondContact OG1-N 3.31Å; T7-R11 PolarHBondContact O-N 3.06Å
8	P	89	Confident	82	Confident	99 Å²	99	78.8 Å²	78.8	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-57.2	-36.8	175.6	-26.4	35.7	0	0	0	113.6	L10 R11 Q12	P8-L10 VanDerWaalsContact C-N 3.29Å; P8-L10 PolarHBondContact O-N 3.36Å; P8-R11 WeakPolarHBondContact O-CB 3.38Å; P8-R11 PolarHBondContact O-N 3.13Å; P8-Q12 PolarHBondContact O-N 3.2Å
9	Q	87.7	Confident	82.4	Confident	143 Å²	143	80.7 Å²	80.7	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-63.8	-35.5	175.8	-60.2	82.4	-3.4	0	0	111.8	T7 K13	T7-Q9 VanDerWaalsContact C-N 3.26Å; T7-Q9 PolarHBondContact O-N 3.05Å; Q9-K13 PolarHBondContact O-N 3.35Å; Q9-K13 VanDerWaalsContact O-N 3.17Å
10	L	92.6	Very high	82.7	Confident	29 Å²	29	83.5 Å²	83.5	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-70.4	-43.4	174	-177.3	60.7	0	0	0	111.1	I6 T7 P8 Q12 K13 V14 K46 Y49 L50	I6-L10 HydrophobicContact CG2-CD2 4.44Å; T7-L10 WeakPolarHBondContact O-CB 3.48Å; T7-L10 PolarHBondContact O-N 2.95Å; T7-L10 WeakPolarHBondContact OG1-CB 3.46Å; T7-L10 PolarHBondContact OG1-N 3.31Å; P8-L10 VanDerWaalsContact C-N 3.29Å; P8-L10 PolarHBondContact O-N 3.36Å; L10-Q12 VanDerWaalsContact C-N 3.31Å; L10-Q12 PolarHBondContact O-N 3.08Å; L10-K13 PolarHBondContact O-N 2.89Å; L10-V14 HydrophobicContact CD1-CG2 4.35Å; L10-V14 WeakPolarHBondContact O-CG2 3.24Å; L10-V14 PolarHBondContact O-N 3.48Å; L10-K46 HydrophobicContact CD2-CD 4.04Å; L10-K46 HydrophobicContact CD2-CG 3.83Å; L10-Y49 HydrophobicContact CD2-CD1 4.24Å; L10-Y49 HydrophobicContact CD2-CE1 4.49Å; L10-Y49 HydrophobicContact CG-CD1 4.49Å; L10-Y49 HydrophobicContact CG-CE1 4.28Å; L10-L50 HydrophobicContact CD1-CD2 4.29Å
11	R	94	Very high	82.8	Confident	95 Å²	95	80.2 Å²	80.2	36%	0.358	41%	0.413	S	S	.	.	H	α-helix	trans	-54.1	-48	174.2	-68.6	-170.5	64.4	-172.6	0.3	111.7	I6 T7 P8 K13 V14 L15 E35 L39	I6-R11 HydrophobicContact CG2-CG 3.75Å; T7-R11 PolarHBondContact O-N 3.06Å; P8-R11 WeakPolarHBondContact O-CB 3.38Å; P8-R11 PolarHBondContact O-N 3.13Å; R11-K13 PolarHBondContact O-N 3.05Å; R11-V14 PolarHBondContact O-N 3.25Å; R11-L15 PolarHBondContact O-N 3.43Å; R11-E35 WeakPolarHBondContact CB-OE1 3.45Å; R11-E35 WeakPolarHBondContact CG-OE1 3.25Å; R11-E35 IonicContact CZ-OE1 2.97Å; R11-E35 IonicContact CZ-OE2 3.96Å; R11-E35 IonicContact NE-OE1 3.85Å; R11-E35 PolarHBondContact NE-OE1 2.93Å; R11-E35 IonicContact NE-OE2 2.64Å; R11-E35 IonicContact NH2-OE1 2.69Å; R11-E35 PolarHBondContact NH2-OE1 2.94Å; R11-E35 IonicContact NH2-OE2 2.7Å; R11-E35 PolarHBondContact NH2-OE2 3.08Å; R11-L39 VanDerWaalsContact CZ-CD1 3.46Å; R11-L39 VanDerWaalsContact NH2-CD1 3.31Å
12	Q	92.4	Very high	84.7	Confident	90 Å²	90	74 Å²	74	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-58.4	-51.1	177.7	-171.9	55	59.3	0	0	111.7	P8 L10 V14 L15 D16 R19	P8-Q12 PolarHBondContact O-N 3.2Å; L10-Q12 VanDerWaalsContact C-N 3.31Å; L10-Q12 PolarHBondContact O-N 3.08Å; Q12-V14 PolarHBondContact O-N 3.36Å; Q12-L15 PolarHBondContact O-N 3.21Å; Q12-L15 VanDerWaalsContact O-N 3.09Å; Q12-D16 PolarHBondContact NE2-OD1 2.94Å; Q12-D16 PolarHBondContact NE2-OD2 2.93Å; Q12-D16 PolarHBondContact O-N 3.15Å; Q12-D16 VanDerWaalsContact O-OD2 3.04Å; Q12-R19 VanDerWaalsContact NE2-NH2 3.19Å
13	K	92.2	Very high	86.2	Confident	134 Å²	134	73.4 Å²	73.4	58%	0.583	38%	0.381	S	S	*	.	H	α-helix	trans	-58.9	-32.4	178.2	-171.8	172.6	-177	175.3	0	113.2	Q9 L10 R11 Q17	Q9-K13 PolarHBondContact O-N 3.35Å; Q9-K13 VanDerWaalsContact O-N 3.17Å; L10-K13 PolarHBondContact O-N 2.89Å; R11-K13 PolarHBondContact O-N 3.05Å; K13-Q17 PolarHBondContact O-N 3.3Å
14	V	93.8	Very high	87.3	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.012	38%	0.384	C	S	.	.	H	α-helix	trans	-73.3	-43.5	174.8	172	0	0	0	0	111.9	L10 R11 Q12 D16 Q17 L18 E35 M38 Y49 L53	L10-V14 HydrophobicContact CD1-CG2 4.35Å; L10-V14 WeakPolarHBondContact O-CG2 3.24Å; L10-V14 PolarHBondContact O-N 3.48Å; R11-V14 PolarHBondContact O-N 3.25Å; Q12-V14 PolarHBondContact O-N 3.36Å; V14-D16 VanDerWaalsContact C-N 3.26Å; V14-D16 PolarHBondContact O-N 2.9Å; V14-Q17 PolarHBondContact O-N 3.1Å; V14-L18 HydrophobicContact CG1-CD1 3.92Å; V14-L18 HydrophobicContact CG1-CG 4.33Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 2.92Å; V14-E35 HydrophobicContact CG1-CG 4.35Å; V14-M38 HydrophobicContact CG1-CE 3.76Å; V14-Y49 HydrophobicContact CB-CE1 4.1Å; V14-Y49 HydrophobicContact CG1-CE1 4.27Å; V14-Y49 WeakPolarHBondContact CG1-OH 3.4Å; V14-Y49 HydrophobicContact CG2-CD1 4.39Å; V14-Y49 HydrophobicContact CG2-CE1 3.55Å; V14-L53 HydrophobicContact CB-CD2 4.18Å; V14-L53 HydrophobicContact CG1-CD1 3.95Å; V14-L53 HydrophobicContact CG1-CD2 3.9Å; V14-L53 HydrophobicContact CG1-CG 4.45Å; V14-L53 HydrophobicContact CG2-CD2 3.56Å
15	L	94.6	Very high	87.7	Confident	27 Å²	27	73.6 Å²	73.6	14%	0.141	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-36.1	173.4	-74.8	167.1	0	0	0	112.1	R11 Q12 L18 R19 E32 E35	R11-L15 PolarHBondContact O-N 3.43Å; Q12-L15 PolarHBondContact O-N 3.21Å; Q12-L15 VanDerWaalsContact O-N 3.09Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-R19 WeakPolarHBondContact O-CB 3.49Å; L15-R19 VanDerWaalsContact O-CG 3.29Å; L15-R19 WeakPolarHBondContact O-CG 3.39Å; L15-R19 PolarHBondContact O-N 3.26Å; L15-E32 HydrophobicContact CD2-CG 4.24Å; L15-E35 HydrophobicContact CD2-CB 3.56Å; L15-E35 HydrophobicContact CD2-CG 3.85Å; L15-E35 HydrophobicContact CG-CB 4.28Å; L15-E35 HydrophobicContact CG-CG 3.99Å
16	D	92.8	Very high	87.3	Confident	68 Å²	68	79.9 Å²	79.9	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-66.3	-47.1	177.5	-61.7	-30.9	0	0	0	111.6	Q12 V14 L18 R19 E20	Q12-D16 PolarHBondContact NE2-OD1 2.94Å; Q12-D16 PolarHBondContact NE2-OD2 2.93Å; Q12-D16 PolarHBondContact O-N 3.15Å; Q12-D16 VanDerWaalsContact O-OD2 3.04Å; V14-D16 VanDerWaalsContact C-N 3.26Å; V14-D16 PolarHBondContact O-N 2.9Å; D16-L18 PolarHBondContact O-N 3.37Å; D16-R19 PolarHBondContact O-N 3.07Å; D16-R19 IonicContact OD1-CZ 3.64Å; D16-R19 IonicContact OD1-NE 3.82Å; D16-R19 IonicContact OD1-NH2 2.68Å; D16-R19 PolarHBondContact OD1-NH2 2.95Å; D16-E20 PolarHBondContact O-N 2.76Å
17	Q	91.4	Very high	86.8	Confident	73 Å²	73	81.1 Å²	81.1	34%	0.341	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-38.3	173.7	-72.7	-174.1	-24.2	0	0	112.7	K13 V14 R19 E20 V21 I57	K13-Q17 PolarHBondContact O-N 3.3Å; V14-Q17 PolarHBondContact O-N 3.1Å; Q17-R19 VanDerWaalsContact C-N 3.34Å; Q17-E20 PolarHBondContact O-N 3.01Å; Q17-V21 WeakPolarHBondContact O-CG2 3.43Å; Q17-V21 PolarHBondContact O-N 3.47Å; Q17-I57 HydrophobicContact CB-CD1 4.43Å
18	L	93.4	Very high	86.2	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-67.4	-34.4	175.9	-71.1	173.6	0	0	0	111.9	V14 L15 D16 T22 P31 I34 E35 M38 L53 V56	V14-L18 HydrophobicContact CG1-CD1 3.92Å; V14-L18 HydrophobicContact CG1-CG 4.33Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 VanDerWaalsContact O-CG 3.31Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 3.42Å; D16-L18 PolarHBondContact O-N 3.37Å; L18-T22 VanDerWaalsContact O-CB 3.3Å; L18-T22 WeakPolarHBondContact O-CB 3.45Å; L18-T22 PolarHBondContact O-N 3.05Å; L18-T22 PolarHBondContact O-OG1 3.31Å; L18-P31 HydrophobicContact CB-CB 3.61Å; L18-I34 HydrophobicContact CD1-CB 4.31Å; L18-I34 HydrophobicContact CD1-CG2 3.92Å; L18-I34 HydrophobicContact CD2-CG2 3.84Å; L18-E35 HydrophobicContact CD1-CB 4Å; L18-M38 HydrophobicContact CD1-SD 4.26Å; L18-L53 HydrophobicContact CD2-CD1 3.85Å; L18-L53 HydrophobicContact CG-CD1 4.06Å; L18-V56 HydrophobicContact CD2-CG1 3.71Å
19	R	91.3	Very high	86	Confident	115 Å²	115	84.2 Å²	84.2	43%	0.434	41%	0.414	S	S	.	.	H	α-helix	trans	-67.9	-42.5	173.2	-76.2	-175.5	-67	-169.8	8.1	112	Q12 L15 D16 Q17 T22 S23 P31	Q12-R19 VanDerWaalsContact NE2-NH2 3.19Å; L15-R19 WeakPolarHBondContact O-CB 3.49Å; L15-R19 VanDerWaalsContact O-CG 3.29Å; L15-R19 WeakPolarHBondContact O-CG 3.39Å; L15-R19 PolarHBondContact O-N 3.26Å; D16-R19 PolarHBondContact O-N 3.07Å; D16-R19 IonicContact OD1-CZ 3.64Å; D16-R19 IonicContact OD1-NE 3.82Å; D16-R19 IonicContact OD1-NH2 2.68Å; D16-R19 PolarHBondContact OD1-NH2 2.95Å; Q17-R19 VanDerWaalsContact C-N 3.34Å; R19-T22 PolarHBondContact O-N 3.21Å; R19-S23 WeakPolarHBondContact O-CB 3.45Å; R19-S23 PolarHBondContact O-N 3Å; R19-P31 HydrophobicContact CG-CB 3.98Å; R19-P31 HydrophobicContact CG-CG 3.52Å
20	E	87.6	Confident	86.1	Confident	135 Å²	135	79.4 Å²	79.4	63%	0.631	40%	0.396	S	S	*	.	H	α-helix	trans	-59.1	-47	173.8	-174.8	178.8	-168.5	0	0	112.3	D16 Q17 S23 T24	D16-E20 PolarHBondContact O-N 2.76Å; Q17-E20 PolarHBondContact O-N 3.01Å; E20-S23 PolarHBondContact O-N 3.21Å; E20-T24 PolarHBondContact O-N 3Å; E20-T24 PolarHBondContact O-OG1 3.49Å
21	V	84.1	Confident	85.9	Confident	16 Å²	16	78.7 Å²	78.7	10%	0.097	39%	0.393	C	S	.	.	H	α-helix	trans	-69.1	-35.7	177	175.3	0	0	0	0	112.1	Q17 S23 T24 R25 L27 I57	Q17-V21 WeakPolarHBondContact O-CG2 3.43Å; Q17-V21 PolarHBondContact O-N 3.47Å; V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 3.21Å; V21-T24 PolarHBondContact O-N 3Å; V21-T24 PolarHBondContact O-OG1 3.25Å; V21-T24 VanDerWaalsContact O-OG1 3.11Å; V21-R25 HydrophobicContact CG1-CG 4.49Å; V21-R25 WeakPolarHBondContact O-CB 3.46Å; V21-R25 PolarHBondContact O-N 3.36Å; V21-L27 HydrophobicContact CG1-CD1 4.27Å; V21-I57 HydrophobicContact CG2-CG1 4.25Å; V21-I57 HydrophobicContact CG2-CG2 4.3Å
22	T	80.3	Confident	85.9	Confident	42 Å²	42	77.9 Å²	77.9	26%	0.258	39%	0.393	S	S	.	.	H	α-helix	trans	-70.2	-28.9	175.6	-52	0	0	0	0	112	L18 R19 T24 R25	L18-T22 VanDerWaalsContact O-CB 3.3Å; L18-T22 WeakPolarHBondContact O-CB 3.45Å; L18-T22 PolarHBondContact O-N 3.05Å; L18-T22 PolarHBondContact O-OG1 3.31Å; R19-T22 PolarHBondContact O-N 3.21Å; T22-T24 VanDerWaalsContact C-N 3.26Å; T22-T24 PolarHBondContact O-N 3.08Å; T22-R25 VanDerWaalsContact O-O 3.08Å
23	S	76.5	Confident	85.8	Confident	107 Å²	107	78.1 Å²	78.1	75%	0.748	39%	0.394	S	S	*	.	H	α-helix	trans	-71.1	-19.9	173.4	-168.4	0	0	0	0	113.5	R19 E20 V21	R19-S23 WeakPolarHBondContact O-CB 3.45Å; R19-S23 PolarHBondContact O-N 3Å; E20-S23 PolarHBondContact O-N 3.21Å; V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 3.21Å
24	T	76.3	Confident	85.8	Confident	109 Å²	109	72.7 Å²	72.7	67%	0.669	37%	0.371	S	S	*	.	H	α-helix	trans	-109.2	-20.5	-178.8	51.2	0	0	0	0	113.3	E20 V21 T22	E20-T24 PolarHBondContact O-N 3Å; E20-T24 PolarHBondContact O-OG1 3.49Å; V21-T24 PolarHBondContact O-N 3Å; V21-T24 PolarHBondContact O-OG1 3.25Å; V21-T24 VanDerWaalsContact O-OG1 3.11Å; T22-T24 VanDerWaalsContact C-N 3.26Å; T22-T24 PolarHBondContact O-N 3.08Å
25	R	75.4	Confident	85.8	Confident	85 Å²	85	72.7 Å²	72.7	32%	0.321	37%	0.371	S	S	.	.	S	Bend	trans	-132.5	130.8	178.9	-55.7	-173.4	-171.3	162.3	9.4	111	V21 T22 L27 I57 S60	V21-R25 HydrophobicContact CG1-CG 4.49Å; V21-R25 WeakPolarHBondContact O-CB 3.46Å; V21-R25 PolarHBondContact O-N 3.36Å; T22-R25 VanDerWaalsContact O-O 3.08Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 3.3Å; R25-I57 PolarHBondContact NH1-O 3.3Å; R25-I57 PolarHBondContact NH2-O 3.29Å; R25-S60 PolarHBondContact NH1-OG 3.01Å
26	K	71.7	Confident	85.6	Confident	223 Å²	223	75.8 Å²	75.8	97%	0.97	39%	0.388	S	S	*	.			trans	-70	82.7	173.3	-69.8	-172.8	177.4	-177.9	0	111.3
27	L	75.7	Confident	85.6	Confident	47 Å²	47	75.6 Å²	75.6	25%	0.246	39%	0.386	C	S	.	.			trans	-75.5	147	171	-67.7	172.8	0	0	0	110.6	V21 R25 K29 I34	V21-L27 HydrophobicContact CG1-CD1 4.27Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 3.3Å; L27-K29 PolarHBondContact O-N 2.81Å; L27-I34 HydrophobicContact CB-CD1 4.37Å; L27-I34 HydrophobicContact CD1-CD1 3.88Å
28	P	77.3	Confident	85.6	Confident	131 Å²	131	72.4 Å²	72.4	85%	0.851	37%	0.372	S	S	*	.	S	Bend	trans	-82	10.9	-175.3	34.7	-38	0	0	0	114.2
29	K	85.1	Confident	85.6	Confident	98 Å²	98	74.2 Å²	74.2	43%	0.426	38%	0.381	S	S	.	.	S	Bend	trans	-147.2	155.1	-178	-72.2	-164.7	171.1	-154	0	110.1	L27 E33 I34	L27-K29 PolarHBondContact O-N 2.81Å; K29-E33 HydrophobicContact CB-CB 4.25Å; K29-E33 HydrophobicContact CD-CB 4.28Å; K29-I34 HydrophobicContact CB-CD1 4.26Å; K29-I34 HydrophobicContact CB-CG1 3.94Å
30	S	89.7	Confident	85.5	Confident	42 Å²	42	75.6 Å²	75.6	29%	0.294	39%	0.393	S	S	.	.			trans	-64.6	151.9	170.6	60.1	0	0	0	0	111.8	E32 E33 I34	S30-E32 PolarHBondContact O-N 3Å; S30-E33 WeakPolarHBondContact CB-OE2 3.45Å; S30-E33 PolarHBondContact N-OE2 3.27Å; S30-E33 PolarHBondContact O-N 3.32Å; S30-E33 VanDerWaalsContact O-N 3.17Å; S30-E33 WeakPolarHBondContact OG-CB 3.27Å; S30-E33 VanDerWaalsContact OG-CD 3.32Å; S30-E33 WeakPolarHBondContact OG-CG 3.37Å; S30-E33 PolarHBondContact OG-N 3.19Å; S30-E33 PolarHBondContact OG-OE2 3.49Å; S30-I34 WeakPolarHBondContact O-CG1 3.44Å; S30-I34 PolarHBondContact O-N 3.23Å
31	P	89.3	Confident	85.5	Confident	13 Å²	13	75.1 Å²	75.1	8%	0.084	39%	0.389	C	S	.	.	H	α-helix	trans	-61.4	-29.7	176.7	19.7	-25.8	0	0	0	112.2	L18 R19 I34 E35	L18-P31 HydrophobicContact CB-CB 3.61Å; R19-P31 HydrophobicContact CG-CB 3.98Å; R19-P31 HydrophobicContact CG-CG 3.52Å; P31-I34 PolarHBondContact O-N 2.83Å; P31-E35 WeakPolarHBondContact O-CB 3.43Å; P31-E35 PolarHBondContact O-N 3.24Å
32	E	92.4	Very high	85.8	Confident	79 Å²	79	74.5 Å²	74.5	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-68.6	-41.7	173.8	-63.7	71.9	-158.7	0	0	112.5	L15 S30 I34 E35 N36	L15-E32 HydrophobicContact CD2-CG 4.24Å; S30-E32 PolarHBondContact O-N 3Å; E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 3.01Å; E32-E35 PolarHBondContact O-N 2.95Å; E32-N36 PolarHBondContact O-N 2.89Å; E32-N36 PolarHBondContact O-ND2 3.39Å
33	E	91.1	Very high	86.1	Confident	95 Å²	95	83.6 Å²	83.6	44%	0.444	41%	0.414	S	S	.	.	H	α-helix	trans	-65.1	-35.2	172.7	-76.8	168.6	101.3	0	0	112.5	K29 S30 L37	K29-E33 HydrophobicContact CB-CB 4.25Å; K29-E33 HydrophobicContact CD-CB 4.28Å; S30-E33 WeakPolarHBondContact CB-OE2 3.45Å; S30-E33 PolarHBondContact N-OE2 3.27Å; S30-E33 PolarHBondContact O-N 3.32Å; S30-E33 VanDerWaalsContact O-N 3.17Å; S30-E33 WeakPolarHBondContact OG-CB 3.27Å; S30-E33 VanDerWaalsContact OG-CD 3.32Å; S30-E33 WeakPolarHBondContact OG-CG 3.37Å; S30-E33 PolarHBondContact OG-N 3.19Å; S30-E33 PolarHBondContact OG-OE2 3.49Å; E33-L37 WeakPolarHBondContact O-CB 3.39Å; E33-L37 PolarHBondContact O-N 2.9Å; E33-L37 VanDerWaalsContact O-N 3.09Å
34	I	91.7	Very high	86.4	Confident	19 Å²	19	80.2 Å²	80.2	10%	0.097	40%	0.397	C	S	.	.	H	α-helix	trans	-67.5	-44.1	176.9	-66.6	166.7	0	0	0	109.9	L18 L27 K29 S30 P31 E32 L37 M38 V56	L18-I34 HydrophobicContact CD1-CB 4.31Å; L18-I34 HydrophobicContact CD1-CG2 3.92Å; L18-I34 HydrophobicContact CD2-CG2 3.84Å; L27-I34 HydrophobicContact CB-CD1 4.37Å; L27-I34 HydrophobicContact CD1-CD1 3.88Å; K29-I34 HydrophobicContact CB-CD1 4.26Å; K29-I34 HydrophobicContact CB-CG1 3.94Å; S30-I34 WeakPolarHBondContact O-CG1 3.44Å; S30-I34 PolarHBondContact O-N 3.23Å; P31-I34 PolarHBondContact O-N 2.83Å; E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 3.01Å; I34-L37 PolarHBondContact O-N 3.21Å; I34-M38 HydrophobicContact CG2-SD 4Å; I34-M38 VanDerWaalsContact O-CG 3.3Å; I34-M38 WeakPolarHBondContact O-CG 3.47Å; I34-M38 PolarHBondContact O-N 3.06Å; I34-V56 HydrophobicContact CG2-CG1 4.05Å; I34-V56 HydrophobicContact CG2-CG2 4.24Å
35	E	93.9	Very high	86.9	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.009	38%	0.384	C	S	.	.	H	α-helix	trans	-64.2	-43.7	178	-165	-105.5	-172	0	0	112.2	R11 V14 L15 L18 P31 E32 L37 M38 L39 Y49	R11-E35 WeakPolarHBondContact CB-OE1 3.45Å; R11-E35 WeakPolarHBondContact CG-OE1 3.25Å; R11-E35 IonicContact CZ-OE1 2.97Å; R11-E35 IonicContact CZ-OE2 3.96Å; R11-E35 IonicContact NE-OE1 3.85Å; R11-E35 PolarHBondContact NE-OE1 2.93Å; R11-E35 IonicContact NE-OE2 2.64Å; R11-E35 IonicContact NH2-OE1 2.69Å; R11-E35 PolarHBondContact NH2-OE1 2.94Å; R11-E35 IonicContact NH2-OE2 2.7Å; R11-E35 PolarHBondContact NH2-OE2 3.08Å; V14-E35 HydrophobicContact CG1-CG 4.35Å; L15-E35 HydrophobicContact CD2-CB 3.56Å; L15-E35 HydrophobicContact CD2-CG 3.85Å; L15-E35 HydrophobicContact CG-CB 4.28Å; L15-E35 HydrophobicContact CG-CG 3.99Å; L18-E35 HydrophobicContact CD1-CB 4Å; P31-E35 WeakPolarHBondContact O-CB 3.43Å; P31-E35 PolarHBondContact O-N 3.24Å; E32-E35 PolarHBondContact O-N 2.95Å; E35-L37 PolarHBondContact O-N 2.69Å; E35-M38 WeakPolarHBondContact O-CB 3.2Å; E35-M38 PolarHBondContact O-N 3.45Å; E35-M38 VanDerWaalsContact O-N 3.14Å; E35-L39 WeakPolarHBondContact O-CG 3.37Å; E35-L39 PolarHBondContact O-N 2.95Å; E35-L39 WeakPolarHBondContact OE2-CD1 3.49Å; E35-Y49 WeakPolarHBondContact CG-OH 3.31Å; E35-Y49 PolarHBondContact OE1-OH 2.69Å; E35-Y49 VanDerWaalsContact OE1-OH 3.04Å
36	N	91.7	Very high	87.6	Confident	92 Å²	92	77.1 Å²	77.1	49%	0.492	38%	0.382	S	S	.	.	H	α-helix	trans	-59.8	-44	174.4	-77.8	-67.6	0	0	0	112.3	E32 M38 L39 E40	E32-N36 PolarHBondContact O-N 2.89Å; E32-N36 PolarHBondContact O-ND2 3.39Å; N36-M38 VanDerWaalsContact C-N 3.3Å; N36-M38 PolarHBondContact O-N 3.05Å; N36-L39 PolarHBondContact O-N 3.25Å; N36-E40 PolarHBondContact O-N 2.9Å
37	L	91.1	Very high	88.4	Confident	64 Å²	64	74.7 Å²	74.7	34%	0.335	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-32.1	176.3	-175.2	65.2	0	0	0	112.4	E33 I34 E35 K41	E33-L37 WeakPolarHBondContact O-CB 3.39Å; E33-L37 PolarHBondContact O-N 2.9Å; E33-L37 VanDerWaalsContact O-N 3.09Å; I34-L37 PolarHBondContact O-N 3.21Å; E35-L37 PolarHBondContact O-N 2.69Å; L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 2.88Å; L37-K41 VanDerWaalsContact O-N 3.15Å
38	M	92.8	Very high	89.1	Confident	7 Å²	7	75.4 Å²	75.4	3%	0.034	38%	0.377	C	S	.	.	H	α-helix	trans	-70.4	-40	173.1	-74.6	173.2	38.8	0	0	112.1	V14 L18 I34 E35 N36 S42 Y49 L52 L53 V56	V14-M38 HydrophobicContact CG1-CE 3.76Å; L18-M38 HydrophobicContact CD1-SD 4.26Å; I34-M38 HydrophobicContact CG2-SD 4Å; I34-M38 VanDerWaalsContact O-CG 3.3Å; I34-M38 WeakPolarHBondContact O-CG 3.47Å; I34-M38 PolarHBondContact O-N 3.06Å; E35-M38 WeakPolarHBondContact O-CB 3.2Å; E35-M38 PolarHBondContact O-N 3.45Å; E35-M38 VanDerWaalsContact O-N 3.14Å; N36-M38 VanDerWaalsContact C-N 3.3Å; N36-M38 PolarHBondContact O-N 3.05Å; M38-S42 WeakPolarHBondContact O-CB 3.36Å; M38-S42 PolarHBondContact O-N 3.15Å; M38-S42 PolarHBondContact O-OG 3.19Å; M38-Y49 HydrophobicContact CB-CD2 4.08Å; M38-Y49 HydrophobicContact CB-CE2 3.94Å; M38-Y49 HydrophobicContact CE-CD2 4.13Å; M38-Y49 HydrophobicContact CE-CE2 3.88Å; M38-L52 HydrophobicContact CG-CB 4.11Å; M38-L53 HydrophobicContact CE-CB 3.65Å; M38-L53 HydrophobicContact CE-CD1 4.06Å; M38-L53 HydrophobicContact CE-CG 4.37Å; M38-L53 HydrophobicContact SD-CD1 4.41Å; M38-V56 HydrophobicContact SD-CG2 4.14Å
39	L	92	Very high	89.9	Confident	37 Å²	37	69.1 Å²	69.1	19%	0.194	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-51.4	174.9	-71.5	170.4	0	0	0	111	I6 R11 E35 N36 K41 S42 R43 Y49	I6-L39 HydrophobicContact CD1-CD2 3.87Å; I6-L39 HydrophobicContact CG2-CD2 4.2Å; R11-L39 VanDerWaalsContact CZ-CD1 3.46Å; R11-L39 VanDerWaalsContact NH2-CD1 3.31Å; E35-L39 WeakPolarHBondContact O-CG 3.37Å; E35-L39 PolarHBondContact O-N 2.95Å; E35-L39 WeakPolarHBondContact OE2-CD1 3.49Å; N36-L39 PolarHBondContact O-N 3.25Å; L39-K41 PolarHBondContact O-N 3.19Å; L39-S42 WeakPolarHBondContact CA-OG 3.21Å; L39-S42 PolarHBondContact O-N 3.01Å; L39-S42 VanDerWaalsContact O-N 3.11Å; L39-S42 PolarHBondContact O-OG 2.89Å; L39-R43 PolarHBondContact O-N 3.28Å; L39-Y49 HydrophobicContact CD2-CD2 4.07Å; L39-Y49 HydrophobicContact CD2-CE2 3.59Å; L39-Y49 HydrophobicContact CG-CE2 3.9Å
40	E	89.2	Confident	90.3	Very high	145 Å²	145	68 Å²	68	68%	0.678	34%	0.335	S	S	*	.	H	α-helix	trans	-53.3	-51	177.3	-173.2	-172.4	-173.2	0	0	111.3	N36 S42 R43	N36-E40 PolarHBondContact O-N 2.9Å; E40-S42 PolarHBondContact O-N 3.06Å; E40-R43 PolarHBondContact O-N 2.9Å
41	K	88.9	Confident	90.4	Very high	125 Å²	125	70 Å²	70	54%	0.543	34%	0.343	S	S	.	.	H	α-helix	trans	-68.2	-29.5	178.1	-73.4	-174.8	176	-172	0	114	L37 L39 R43 L52	L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 2.88Å; L37-K41 VanDerWaalsContact O-N 3.15Å; L39-K41 PolarHBondContact O-N 3.19Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-L52 HydrophobicContact CB-CD1 3.7Å; K41-L52 HydrophobicContact CB-CD2 4.46Å; K41-L52 HydrophobicContact CD-CD2 4.46Å
42	S	90.4	Very high	90.6	Very high	3 Å²	3	71.1 Å²	71.1	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-75	-19.6	179	74.6	0	0	0	0	114	I6 M38 L39 E40 G44 V45	I6-S42 WeakPolarHBondContact CD1-OG 3.27Å; M38-S42 WeakPolarHBondContact O-CB 3.36Å; M38-S42 PolarHBondContact O-N 3.15Å; M38-S42 PolarHBondContact O-OG 3.19Å; L39-S42 WeakPolarHBondContact CA-OG 3.21Å; L39-S42 PolarHBondContact O-N 3.01Å; L39-S42 VanDerWaalsContact O-N 3.11Å; L39-S42 PolarHBondContact O-OG 2.89Å; E40-S42 PolarHBondContact O-N 3.06Å; S42-G44 PolarHBondContact O-N 2.76Å; S42-G44 VanDerWaalsContact O-N 3.12Å; S42-G44 PolarHBondContact OG-N 3.25Å; S42-V45 WeakPolarHBondContact O-CB 3.32Å; S42-V45 PolarHBondContact O-N 3.38Å
43	R	87	Confident	90.6	Very high	232 Å²	232	67.7 Å²	67.7	88%	0.875	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	32.5	-171.5	-63.6	-176.4	171.6	177.5	-1.6	113.7	L39 E40 K41	L39-R43 PolarHBondContact O-N 3.28Å; E40-R43 PolarHBondContact O-N 2.9Å; K41-R43 VanDerWaalsContact C-N 3.32Å
44	G	82.7	Confident	90.6	Very high	37 Å²	37	66 Å²	66	38%	0.381	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	1.8	-179.9	0	0	0	0	0	115.7	S42	S42-G44 PolarHBondContact O-N 2.76Å; S42-G44 VanDerWaalsContact O-N 3.12Å; S42-G44 PolarHBondContact OG-N 3.25Å
45	V	86.6	Confident	90.5	Very high	65 Å²	65	71.3 Å²	71.3	39%	0.394	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-89.3	112.9	-177.7	-177	0	0	0	0	111.2	S42 K47 T48 Y49	S42-V45 WeakPolarHBondContact O-CB 3.32Å; S42-V45 PolarHBondContact O-N 3.38Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 HydrophobicContact CG1-CB 4.45Å; V45-K47 PolarHBondContact O-N 2.86Å; V45-T48 WeakPolarHBondContact O-CB 3.31Å; V45-T48 PolarHBondContact O-N 3.47Å; V45-T48 VanDerWaalsContact O-N 3.07Å; V45-Y49 PolarHBondContact O-N 3.39Å
46	K	90	Very high	90.2	Very high	64 Å²	64	73 Å²	73	28%	0.278	36%	0.363	S	S	.	.	H	α-helix	trans	-53.5	-41	-179.2	172.8	169.9	156.6	-126.8	0	114.7	D4 I6 L10 T48 Y49 L50	D4-K46 HydrophobicContact CB-CB 4.31Å; D4-K46 HydrophobicContact CB-CD 4.43Å; D4-K46 WeakPolarHBondContact O-CB 3.48Å; D4-K46 PolarHBondContact O-N 3.19Å; D4-K46 IonicContact OD1-NZ 2.75Å; D4-K46 PolarHBondContact OD1-NZ 3.19Å; D4-K46 WeakPolarHBondContact OD2-CD 3.43Å; D4-K46 WeakPolarHBondContact OD2-CE 3.5Å; D4-K46 IonicContact OD2-NZ 3.56Å; D4-K46 PolarHBondContact OD2-NZ 3.4Å; I6-K46 HydrophobicContact CG1-CB 4.38Å; L10-K46 HydrophobicContact CD2-CD 4.04Å; L10-K46 HydrophobicContact CD2-CG 3.83Å; K46-T48 PolarHBondContact O-N 3.46Å; K46-Y49 PolarHBondContact O-N 3.06Å; K46-L50 HydrophobicContact CG-CD1 4.19Å; K46-L50 WeakPolarHBondContact O-CG 3.48Å; K46-L50 PolarHBondContact O-N 2.81Å
47	K	88.6	Confident	89.9	Confident	172 Å²	172	70.6 Å²	70.6	75%	0.748	35%	0.35	S	S	*	.	H	α-helix	trans	-62.3	-42.5	176.7	-171.5	177.1	-179.8	-178.6	0	111.8	V45 N51	V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 HydrophobicContact CG1-CB 4.45Å; V45-K47 PolarHBondContact O-N 2.86Å; K47-N51 WeakPolarHBondContact O-CB 3.41Å; K47-N51 PolarHBondContact O-N 2.89Å
48	T	89.7	Confident	89.4	Confident	61 Å²	61	72.9 Å²	72.9	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-42.2	177.8	-48.3	0	0	0	0	111.3	V45 K46 L50 N51 L52	V45-T48 WeakPolarHBondContact O-CB 3.31Å; V45-T48 PolarHBondContact O-N 3.47Å; V45-T48 VanDerWaalsContact O-N 3.07Å; K46-T48 PolarHBondContact O-N 3.46Å; T48-L50 PolarHBondContact O-N 2.91Å; T48-N51 PolarHBondContact O-N 3.22Å; T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 WeakPolarHBondContact O-CB 3.33Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.48Å; T48-L52 PolarHBondContact O-N 2.92Å
49	Y	95	Very high	88	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-58.6	-45.2	176.3	-174.5	-116.1	0	0	0	112.4	I6 L10 V14 E35 M38 L39 V45 K46 L52 L53	I6-Y49 HydrophobicContact CD1-CD1 4.11Å; I6-Y49 HydrophobicContact CD1-CD2 3.9Å; I6-Y49 HydrophobicContact CD1-CG 3.65Å; I6-Y49 HydrophobicContact CG1-CD1 4.19Å; I6-Y49 HydrophobicContact CG1-CG 4.18Å; I6-Y49 HydrophobicContact CG2-CD1 3.98Å; I6-Y49 HydrophobicContact CG2-CE1 3.84Å; L10-Y49 HydrophobicContact CD2-CD1 4.24Å; L10-Y49 HydrophobicContact CD2-CE1 4.49Å; L10-Y49 HydrophobicContact CG-CD1 4.49Å; L10-Y49 HydrophobicContact CG-CE1 4.28Å; V14-Y49 HydrophobicContact CB-CE1 4.1Å; V14-Y49 HydrophobicContact CG1-CE1 4.27Å; V14-Y49 WeakPolarHBondContact CG1-OH 3.4Å; V14-Y49 HydrophobicContact CG2-CD1 4.39Å; V14-Y49 HydrophobicContact CG2-CE1 3.55Å; E35-Y49 WeakPolarHBondContact CG-OH 3.31Å; E35-Y49 PolarHBondContact OE1-OH 2.69Å; E35-Y49 VanDerWaalsContact OE1-OH 3.04Å; M38-Y49 HydrophobicContact CB-CD2 4.08Å; M38-Y49 HydrophobicContact CB-CE2 3.94Å; M38-Y49 HydrophobicContact CE-CD2 4.13Å; M38-Y49 HydrophobicContact CE-CE2 3.88Å; L39-Y49 HydrophobicContact CD2-CD2 4.07Å; L39-Y49 HydrophobicContact CD2-CE2 3.59Å; L39-Y49 HydrophobicContact CG-CE2 3.9Å; V45-Y49 PolarHBondContact O-N 3.39Å; K46-Y49 PolarHBondContact O-N 3.06Å; Y49-L52 PolarHBondContact O-N 3.38Å; Y49-L53 PolarHBondContact O-N 3.43Å
50	L	92.8	Very high	85.7	Confident	75 Å²	75	78 Å²	78	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-70.1	-34.4	175.4	-71.8	171.3	0	0	0	113.4	L10 K46 T48 L53 S54	L10-L50 HydrophobicContact CD1-CD2 4.29Å; K46-L50 HydrophobicContact CG-CD1 4.19Å; K46-L50 WeakPolarHBondContact O-CG 3.48Å; K46-L50 PolarHBondContact O-N 2.81Å; T48-L50 PolarHBondContact O-N 2.91Å; L50-L53 HydrophobicContact CD2-CD2 4.49Å; L50-L53 PolarHBondContact O-N 3.44Å; L50-S54 PolarHBondContact O-N 3.06Å
51	N	90.8	Very high	83.1	Confident	84 Å²	84	76.5 Å²	76.5	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-65.2	-41.6	173.9	-168.2	-76	0	0	0	111.4	K47 T48 S54 K55	K47-N51 WeakPolarHBondContact O-CB 3.41Å; K47-N51 PolarHBondContact O-N 2.89Å; T48-N51 PolarHBondContact O-N 3.22Å; N51-S54 PolarHBondContact O-N 3.22Å; N51-K55 WeakPolarHBondContact O-CG 3.26Å; N51-K55 PolarHBondContact O-N 3.43Å; N51-K55 VanDerWaalsContact O-N 3.1Å; N51-K55 WeakPolarHBondContact OD1-CE 3.36Å; N51-K55 PolarHBondContact OD1-NZ 3.46Å
52	L	93.5	Very high	80.5	Confident	36 Å²	36	78 Å²	78	19%	0.188	43%	0.428	C	S	.	.	H	α-helix	trans	-62.4	-42	173.6	-72.4	164.3	0	0	0	111.7	M38 K41 T48 Y49 K55 V56	M38-L52 HydrophobicContact CG-CB 4.11Å; K41-L52 HydrophobicContact CB-CD1 3.7Å; K41-L52 HydrophobicContact CB-CD2 4.46Å; K41-L52 HydrophobicContact CD-CD2 4.46Å; T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 WeakPolarHBondContact O-CB 3.33Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.48Å; T48-L52 PolarHBondContact O-N 2.92Å; Y49-L52 PolarHBondContact O-N 3.38Å; L52-K55 PolarHBondContact O-N 2.86Å; L52-V56 WeakPolarHBondContact O-CG2 3.26Å; L52-V56 PolarHBondContact O-N 3.42Å
53	L	93.9	Very high	77.6	Confident	6 Å²	6	81.4 Å²	81.4	3%	0.031	46%	0.462	C	S	.	.	H	α-helix	trans	-60.3	-49.8	175.7	-176.5	54.6	0	0	0	112.3	V14 L18 M38 Y49 L50 K55 V56 I57	V14-L53 HydrophobicContact CB-CD2 4.18Å; V14-L53 HydrophobicContact CG1-CD1 3.95Å; V14-L53 HydrophobicContact CG1-CD2 3.9Å; V14-L53 HydrophobicContact CG1-CG 4.45Å; V14-L53 HydrophobicContact CG2-CD2 3.56Å; L18-L53 HydrophobicContact CD2-CD1 3.85Å; L18-L53 HydrophobicContact CG-CD1 4.06Å; M38-L53 HydrophobicContact CE-CB 3.65Å; M38-L53 HydrophobicContact CE-CD1 4.06Å; M38-L53 HydrophobicContact CE-CG 4.37Å; M38-L53 HydrophobicContact SD-CD1 4.41Å; Y49-L53 PolarHBondContact O-N 3.43Å; L50-L53 HydrophobicContact CD2-CD2 4.49Å; L50-L53 PolarHBondContact O-N 3.44Å; L53-K55 VanDerWaalsContact C-N 3.25Å; L53-K55 PolarHBondContact O-N 3.39Å; L53-V56 PolarHBondContact O-N 2.94Å; L53-I57 HydrophobicContact CD1-CD1 3.74Å; L53-I57 HydrophobicContact CD1-CG1 3.94Å; L53-I57 HydrophobicContact CD2-CD1 4.46Å; L53-I57 HydrophobicContact CG-CD1 3.78Å; L53-I57 HydrophobicContact CG-CG1 4.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.22Å
54	S	90.9	Very high	74.8	Confident	61 Å²	61	76.8 Å²	76.8	43%	0.427	47%	0.466	S	S	.	.	H	α-helix	trans	-55.2	-42.8	176.6	177.1	0	0	0	0	111.4	L50 N51 V56 I57 N58	L50-S54 PolarHBondContact O-N 3.06Å; N51-S54 PolarHBondContact O-N 3.22Å; S54-V56 PolarHBondContact O-N 3.24Å; S54-I57 PolarHBondContact O-N 3.4Å; S54-N58 VanDerWaalsContact O-CB 3.25Å; S54-N58 WeakPolarHBondContact O-CB 3.47Å; S54-N58 VanDerWaalsContact O-CG 3.24Å; S54-N58 PolarHBondContact O-N 2.84Å; S54-N58 PolarHBondContact O-ND2 2.74Å; S54-N58 PolarHBondContact OG-ND2 2.87Å
55	K	89.6	Confident	72.2	Confident	130 Å²	130	78.6 Å²	78.6	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-63.8	-39.4	175.1	-74.2	171.7	175.6	163.9	0	113.1	N51 L52 L53 S59	N51-K55 WeakPolarHBondContact O-CG 3.26Å; N51-K55 PolarHBondContact O-N 3.43Å; N51-K55 VanDerWaalsContact O-N 3.1Å; N51-K55 WeakPolarHBondContact OD1-CE 3.36Å; N51-K55 PolarHBondContact OD1-NZ 3.46Å; L52-K55 PolarHBondContact O-N 2.86Å; L53-K55 VanDerWaalsContact C-N 3.25Å; L53-K55 PolarHBondContact O-N 3.39Å; K55-S59 WeakPolarHBondContact O-CB 3.43Å; K55-S59 PolarHBondContact O-N 2.65Å; K55-S59 VanDerWaalsContact O-N 3.15Å; K55-S59 PolarHBondContact O-OG 3.19Å
56	V	87.1	Confident	69.5	Low	37 Å²	37	84.1 Å²	84.1	22%	0.224	51%	0.508	C	S	.	.	H	α-helix	trans	-66.1	-48.3	175.6	171	0	0	0	0	111.2	L18 I34 M38 L52 L53 S54 N58 S59	L18-V56 HydrophobicContact CD2-CG1 3.71Å; I34-V56 HydrophobicContact CG2-CG1 4.05Å; I34-V56 HydrophobicContact CG2-CG2 4.24Å; M38-V56 HydrophobicContact SD-CG2 4.14Å; L52-V56 WeakPolarHBondContact O-CG2 3.26Å; L52-V56 PolarHBondContact O-N 3.42Å; L53-V56 PolarHBondContact O-N 2.94Å; S54-V56 PolarHBondContact O-N 3.24Å; V56-N58 VanDerWaalsContact C-N 3.32Å; V56-N58 PolarHBondContact O-N 2.89Å; V56-S59 PolarHBondContact O-N 2.88Å
57	I	85.7	Confident	66.5	Low	42 Å²	42	87 Å²	87	22%	0.215	53%	0.534	C	S	.	.	H	α-helix	trans	-64.5	-36.3	-179.3	-63.3	177.6	0	0	0	111.3	Q17 V21 R25 L53 S54	Q17-I57 HydrophobicContact CB-CD1 4.43Å; V21-I57 HydrophobicContact CG2-CG1 4.25Å; V21-I57 HydrophobicContact CG2-CG2 4.3Å; R25-I57 PolarHBondContact NH1-O 3.3Å; R25-I57 PolarHBondContact NH2-O 3.29Å; L53-I57 HydrophobicContact CD1-CD1 3.74Å; L53-I57 HydrophobicContact CD1-CG1 3.94Å; L53-I57 HydrophobicContact CD2-CD1 4.46Å; L53-I57 HydrophobicContact CG-CD1 3.78Å; L53-I57 HydrophobicContact CG-CG1 4.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.22Å; S54-I57 PolarHBondContact O-N 3.4Å
58	N	80	Confident	63.8	Low	112 Å²	112	83.5 Å²	83.5	60%	0.599	54%	0.536	S	S	*	.	H	α-helix	trans	-88.9	-2.5	-177.8	-62.6	-15.4	0	0	0	113.9	S54 V56 S60	S54-N58 VanDerWaalsContact O-CB 3.25Å; S54-N58 WeakPolarHBondContact O-CB 3.47Å; S54-N58 VanDerWaalsContact O-CG 3.24Å; S54-N58 PolarHBondContact O-N 2.84Å; S54-N58 PolarHBondContact O-ND2 2.74Å; S54-N58 PolarHBondContact OG-ND2 2.87Å; V56-N58 VanDerWaalsContact C-N 3.32Å; V56-N58 PolarHBondContact O-N 2.89Å; N58-S60 PolarHBondContact O-N 2.82Å; N58-S60 VanDerWaalsContact O-N 3.1Å
59	S	64.7	Low	60.8	Low	84 Å²	84	88 Å²	88	59%	0.587	56%	0.559	S	S	*	*			trans	-78.8	90.2	177.2	-71.6	0	0	0	0	112.1	K55 V56	K55-S59 WeakPolarHBondContact O-CB 3.43Å; K55-S59 PolarHBondContact O-N 2.65Å; K55-S59 VanDerWaalsContact O-N 3.15Å; K55-S59 PolarHBondContact O-OG 3.19Å; V56-S59 PolarHBondContact O-N 2.88Å
60	S	43.5	Very low	57.8	Low	68 Å²	68	94.4 Å²	94.4	48%	0.476	60%	0.597	S	S	.	*			trans	-152.8	157.1	167.7	50.6	0	0	0	0	112.8	R25 N58	R25-S60 PolarHBondContact NH1-OG 3.01Å; N58-S60 PolarHBondContact O-N 2.82Å; N58-S60 VanDerWaalsContact O-N 3.1Å
61	S	35	Very low	54.7	Low	113 Å²	113	97.9 Å²	97.9	79%	0.79	61%	0.611	S	S	*	*			trans	59.4	81.3	176	62.1	0	0	0	0	118.2
62	T	33	Very low	51.9	Low	157 Å²	157	100 Å²	100	96%	0.963	63%	0.626	S	S	*	*			trans	-153	122.1	132.9	1.6	0	0	0	0	107.9
63	G	30.2	Very low	49	Very low	73 Å²	73	102.5 Å²	102.5	75%	0.753	65%	0.645	S	S	*	*			trans	-113.2	144.8	-168.9	0	0	0	0	0	113.8
64	S	27.7	Very low	45.9	Very low	135 Å²	135	107.1 Å²	107.1	94%	0.944	68%	0.676	S	S	*	*			trans	38.2	90.9	144.3	-179	0	0	0	0	118.2
65	G	27.7	Very low	43.1	Very low	75 Å²	75	111.7 Å²	111.7	77%	0.773	70%	0.695	S	S	*	*			trans	-163.8	140	166.2	0	0	0	0	0	112.5
66	M	30.8	Very low	40.4	Very low	181 Å²	181	112.7 Å²	112.7	89%	0.892	71%	0.707	S	S	*	*			trans	-72.4	152.3	-178.3	-67.1	-147.9	79.2	0	0	112.9
67	P	26	Very low	37.8	Very low	126 Å²	126	116.4 Å²	116.4	82%	0.818	73%	0.731	S	S	*	*			trans	-75.8	126.2	175.9	31	-34	0	0	0	111.6
68	A	32.9	Very low	35	Very low	97 Å²	97	121.6 Å²	121.6	80%	0.802	76%	0.76	S	S	*	*			trans	-117	129.8	167.6	0	0	0	0	0	109.5
69	N	25.9	Very low	32.6	Very low	157 Å²	157	122.2 Å²	122.2	84%	0.84	76%	0.762	S	S	*	*			trans	-97.4	109	-176.8	178.3	67.3	0	0	0	110.3
70	V	32.7	Very low	30.8	Very low	134 Å²	134	126 Å²	126	81%	0.812	77%	0.77	S	S	*	*			trans	-130.8	129	168.5	-177.2	0	0	0	0	108.4
71	H	27.2	Very low	29.9	Very low	148 Å²	148	129.7 Å²	129.7	69%	0.685	78%	0.782	S	S	*	*			trans	-120.3	128.9	-177.6	154.2	91.5	0	0	0	108.8
72	V	31.8	Very low	29.6	Very low	127 Å²	127	132.2 Å²	132.2	77%	0.77	78%	0.781	S	S	*	*			trans	-141.2	139	163	-176.2	0	0	0	0	107
73	P	32	Very low	29.3	Very low	90 Å²	90	129.8 Å²	129.8	58%	0.584	77%	0.771	S	S	*	*			trans	-93.3	167.7	-166.3	-1	22.5	0	0	0	114.2
74	P	28.6	Very low	29.2	Very low	103 Å²	103	133 Å²	133	67%	0.669	78%	0.775	S	S	*	*			trans	-80.9	156.7	170.7	35.5	-34.7	0	0	0	112
75	N	33.4	Very low	29.3	Very low	157 Å²	157	129.5 Å²	129.5	84%	0.84	76%	0.76	S	S	*	*			trans	-139.7	132.9	166.3	-104.9	5.5	0	0	0	111.2
76	D	31.6	Very low	29.5	Very low	150 Å²	150	133 Å²	133	80%	0.802	76%	0.761	S	S	*	*			trans	26.3	134.4	165.9	-72.4	-53	0	0	0	124.1
77	P	32.4	Very low	29.5	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	75%	0.753	S	S	*	*			trans	-96.4	122.3	159.8	35.2	-26.5	0	0	0	112.2
78	N	28.2	Very low	29.6	Very low	151 Å²	151	134.4 Å²	134.4	81%	0.807	76%	0.756	S	S	*	*			trans	-161.9	157.8	158.6	-124.1	-35.1	0	0	0	117
79	I	28.8	Very low	29.5	Very low	125 Å²	125	137.8 Å²	137.8	64%	0.641	76%	0.755	S	S	*	*			trans	69.2	97.9	152.5	-68.5	161.7	0	0	0	119.2
80	Q	27.3	Very low	29.9	Very low	164 Å²	164	137.8 Å²	137.8	77%	0.766	76%	0.755	S	S	*	*				75.1	122.7	124.6	-66.5	-176.7	14.8	0	0	124.1
81	M	24.2	Very low	29.8	Very low	146 Å²	146	137.1 Å²	137.1	72%	0.719	76%	0.756	S	S	*	*				82.6	136.2	123.4	-67.8	-79.9	-90.6	0	0	122.4
82	Q	28.6	Very low	30.1	Very low	165 Å²	165	133.1 Å²	133.1	77%	0.771	76%	0.755	S	S	*	*			trans	65	122	160	-62.8	166.3	10	0	0	116.5
83	S	26.7	Very low	30.1	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	76%	0.757	S	S	*	*			cis	93.3	137.7	34.2	-167.1	0	0	0	0	114.2
84	V	29.3	Very low	30.2	Very low	140 Å²	140	138.4 Å²	138.4	85%	0.848	76%	0.763	S	S	*	*			trans	70.2	138.6	-178.5	-162.9	0	0	0	0	114.4
85	G	28.8	Very low	30.2	Very low	61 Å²	61	140.6 Å²	140.6	63%	0.629	77%	0.765	S	S	*	*			cis	161.2	165.5	-9.4	0	0	0	0	0	113
86	N	33.1	Very low	30.1	Very low	149 Å²	149	140 Å²	140	80%	0.797	76%	0.757	S	S	*	*			trans	68.3	162	173.3	-66.9	-29.2	0	0	0	118.5
87	N	30.2	Very low	30	Very low	136 Å²	136	139.6 Å²	139.6	73%	0.727	75%	0.75	S	S	*	*			cis	154.7	116.4	-34.1	-101.1	-42.3	0	0	0	108.8
88	F	28.7	Very low	29.8	Very low	201 Å²	201	140 Å²	140	88%	0.882	75%	0.745	S	S	*	*			trans	-176.9	120.6	157.3	-99.3	-71.7	0	0	0	106.3
89	Q	30.5	Very low	29.8	Very low	167 Å²	167	139.6 Å²	139.6	78%	0.78	74%	0.74	S	S	*	*			cis	96.3	111.2	21.9	-164.9	-171.5	93.6	0	0	115
90	L	33.7	Very low	29.7	Very low	158 Å²	158	139.7 Å²	139.7	83%	0.827	74%	0.742	S	S	*	*			trans	163.7	110.5	149.5	-89.1	160.3	0	0	0	106.8
91	S	30.5	Very low	29.7	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	73%	0.732	S	S	*	*				84.3	126.9	71.6	-167.1	0	0	0	0	113.5
92	G	34.4	Very low	29.8	Very low	64 Å²	64	136.5 Å²	136.5	66%	0.66	73%	0.732	S	S	*	*			cis	169	173.2	-4.9	0	0	0	0	0	114.3
93	Q	32.1	Very low	29.6	Very low	177 Å²	177	136 Å²	136	83%	0.827	73%	0.732	S	S	*	*			trans	58.5	151.8	168.2	-60.4	-162.2	9.5	0	0	117.8
94	Q	32.8	Very low	29.5	Very low	152 Å²	152	137.9 Å²	137.9	71%	0.71	73%	0.733	S	S	*	*			cis	-148.6	156.1	25.6	-151.8	172.4	72	0	0	112.7
95	Q	30.1	Very low	29.3	Very low	149 Å²	149	136 Å²	136	70%	0.696	73%	0.726	S	S	*	*			trans	5.7	146.2	152.1	-62.6	179.1	10.5	0	0	119.6
96	Q	30.4	Very low	29.3	Very low	144 Å²	144	140.7 Å²	140.7	67%	0.673	74%	0.736	S	S	*	*			cis	-161.3	177.5	14.9	-123.8	174.2	100.2	0	0	107.4
97	Q	29.6	Very low	29	Very low	142 Å²	142	139.3 Å²	139.3	66%	0.664	74%	0.735	S	S	*	*			cis	-150.1	-177.8	14.7	-123.1	-162.1	18.4	0	0	112.9
98	L	27.5	Very low	28.9	Very low	122 Å²	122	144.3 Å²	144.3	64%	0.639	74%	0.744	S	S	*	*			trans	-15.2	150.3	151.9	-49.9	174.4	0	0	0	117.8
99	M	29.3	Very low	28.8	Very low	143 Å²	143	140 Å²	140	70%	0.704	74%	0.739	S	S	*	*			cis	-175.4	168.6	-4.7	-102.5	-166.9	-56.7	0	0	105.9
100	N	26.9	Very low	28.6	Very low	127 Å²	127	135.2 Å²	135.2	68%	0.679	73%	0.734	S	S	*	*			cis	-165.4	172.3	-11.3	-112.6	-2.2	0	0	0	107.1
101	T	26.7	Very low	28.7	Very low	91 Å²	91	133.8 Å²	133.8	56%	0.558	73%	0.734	S	S	*	*			cis	-176.6	143.7	-38	-93.2	0	0	0	0	109
102	Q	26.9	Very low	28.6	Very low	153 Å²	153	135 Å²	135	72%	0.715	74%	0.737	S	S	*	*			trans	70.4	133.6	173.2	-71.4	147.8	18.4	0	0	117.3
103	I	23	Very low	28.2	Very low	153 Å²	153	137.7 Å²	137.7	79%	0.785	74%	0.741	S	S	*	*			cis	87.1	154.6	30.6	-54.4	158.8	0	0	0	112.2
104	I	26	Very low	27.8	Very low	147 Å²	147	135.7 Å²	135.7	75%	0.754	73%	0.734	S	S	*	*			trans	88	137.7	173.8	-50.7	177.4	0	0	0	114.2
105	S	24.5	Very low	27.6	Very low	102 Å²	102	137 Å²	137	71%	0.713	74%	0.74	S	S	*	*			cis	-171.6	172.8	-29.1	-91.3	0	0	0	0	108.4
106	L	27.7	Very low	27.6	Very low	158 Å²	158	134.3 Å²	134.3	83%	0.827	74%	0.738	S	S	*	*			trans	-56.4	158.7	167.4	-81.9	63.6	0	0	0	112.3
107	P	28.1	Very low	27.5	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	75%	0.746	S	S	*	*				-135.8	147	107	37.6	-28.9	0	0	0	115.9
108	R	27.7	Very low	27.8	Very low	241 Å²	241	133.6 Å²	133.6	91%	0.909	74%	0.742	S	S	*	*			trans	-96.9	115.1	170.3	159.4	-161.2	178.3	174.7	1.8	108.6
109	S	27	Very low	27.9	Very low	110 Å²	110	135.9 Å²	135.9	77%	0.769	75%	0.749	S	S	*	*			trans	-173.2	136	163.8	41.1	0	0	0	0	115.4
110	G	25.4	Very low	28.2	Very low	67 Å²	67	136 Å²	136	69%	0.691	75%	0.752	S	S	*	*				71.2	135.3	128.6	0	0	0	0	0	121.2
111	P	35.7	Very low	28.2	Very low	128 Å²	128	136.3 Å²	136.3	83%	0.831	75%	0.752	S	S	*	*			trans	-85.5	133.7	165.3	34.2	-31.3	0	0	0	111.8
112	T	29.5	Very low	28.4	Very low	143 Å²	143	139.3 Å²	139.3	88%	0.877	76%	0.76	S	S	*	*			trans	-149.1	173	161.3	-11.9	0	0	0	0	111.4
113	T	25.1	Very low	28.6	Very low	122 Å²	122	139 Å²	139	75%	0.748	77%	0.768	S	S	*	*			trans	-121.9	167.3	-155.7	-14	0	0	0	0	113.9
114	I	24.6	Very low	28.8	Very low	134 Å²	134	140.9 Å²	140.9	69%	0.687	78%	0.776	S	S	*	*			trans	80.4	121.3	150.4	-72.3	160	0	0	0	119
115	Q	27.1	Very low	28.9	Very low	179 Å²	179	139 Å²	139	84%	0.836	78%	0.776	S	S	*	*			trans	61.4	155.8	151.7	-76.8	173.9	-91.6	0	0	119.3
116	S	30.2	Very low	29.2	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	78%	0.782	S	S	*	*			cis	-164.8	129.7	-7.3	40	0	0	0	0	114.5
117	H	29.7	Very low	29.3	Very low	182 Å²	182	142.6 Å²	142.6	84%	0.843	78%	0.782	S	S	*	*			trans	72.3	-179.9	131.2	-124.8	18.4	0	0	0	118.7
118	P	35.2	Very low	29.4	Very low	89 Å²	89	145.7 Å²	145.7	58%	0.578	79%	0.789	S	S	*	*				-135.2	-161.8	-103.6	44.3	-25.7	0	0	0	116.8
119	Q	30.8	Very low	29.4	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	78%	0.781	S	S	*	*			trans	82.6	141	-179	-50.6	172.1	9.1	0	0	112.1
120	I	34	Very low	29.6	Very low	147 Å²	147	141.7 Å²	141.7	75%	0.754	79%	0.785	S	S	*	*			cis	-134.8	128.6	27.4	-72.9	170.2	0	0	0	107.6
121	L	27.6	Very low	29.8	Very low	132 Å²	132	144.7 Å²	144.7	69%	0.691	79%	0.785	S	S	*	*				65.7	142.3	79	-75.2	166.4	0	0	0	113.3
122	Q	30.2	Very low	29.4	Very low	154 Å²	154	147.1 Å²	147.1	72%	0.72	79%	0.79	S	S	*	*			cis	-172.9	82.7	1.4	177.9	-175.6	-19.2	0	0	113
123	V	30.9	Very low	29.6	Very low	146 Å²	146	145.6 Å²	145.6	89%	0.885	78%	0.776	S	S	*	*	S	Bend	trans	-147.3	83.3	166.3	-166.7	0	0	0	0	113
124	M	27.9	Very low	29.9	Very low	193 Å²	193	145.9 Å²	145.9	95%	0.951	77%	0.773	S	S	*	*	S	Bend	trans	173.6	7.3	152.6	-101.2	177.6	-172.2	0	0	113.7	Q126	M124-Q126 PolarHBondContact O-N 3.44Å
125	S	27.9	Very low	30	Very low	109 Å²	109	146 Å²	146	76%	0.762	77%	0.774	S	S	*	*			trans	-91.1	79.6	175.5	-177	0	0	0	0	111.5
126	Q	31.1	Very low	30.2	Very low	176 Å²	176	145.7 Å²	145.7	82%	0.822	77%	0.772	S	S	*	*			trans	-160.7	53.3	173.5	-130.3	168.8	75.3	0	0	115.7	M124	M124-Q126 PolarHBondContact O-N 3.44Å
127	N	30.6	Very low	30.1	Very low	158 Å²	158	147.2 Å²	147.2	85%	0.845	77%	0.772	S	S	*	*	S	Bend	trans	-162	155.6	150.8	-116.3	-72.8	0	0	0	111.9	S129	N127-S129 PolarHBondContact O-N 3.32Å
128	M	29.5	Very low	30.1	Very low	186 Å²	186	145.7 Å²	145.7	92%	0.916	77%	0.77	S	S	*	*			trans	57.6	37.6	-178.7	-60.5	-163.4	-66.1	0	0	117.1
129	S	26.9	Very low	29.9	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	78%	0.776	S	S	*	*			trans	-96.1	97.7	149.2	-73.1	0	0	0	0	109.2	N127	N127-S129 PolarHBondContact O-N 3.32Å
130	N	31.8	Very low	30	Very low	160 Å²	160	148.9 Å²	148.9	86%	0.856	78%	0.782	S	S	*	*			trans	-166.4	142.2	162.5	-103.3	-36.7	0	0	0	111.4
131	N	30.7	Very low	29.6	Very low	129 Å²	129	151.1 Å²	151.1	69%	0.69	78%	0.781	S	S	*	*			trans	56.5	65.8	178.6	-78.2	-45.3	0	0	0	117.5	N133	N131-N133 PolarHBondContact OD1-ND2 3.02Å
132	I	27.2	Very low	29.6	Very low	180 Å²	180	149 Å²	149	92%	0.923	78%	0.776	S	S	*	*				-90.5	121.9	124.4	-65.6	177.4	0	0	0	105.7
133	N	33.3	Very low	29.4	Very low	111 Å²	111	149.7 Å²	149.7	59%	0.594	77%	0.771	S	S	*	*			trans	-142.7	114.9	-176.1	-131.2	-37.2	0	0	0	110.7	N131	N131-N133 PolarHBondContact OD1-ND2 3.02Å
134	N	30.6	Very low	29.2	Very low	128 Å²	128	150.9 Å²	150.9	68%	0.684	76%	0.761	S	S	*	*			trans	49.4	117.7	162.6	-60.7	-18.5	0	0	0	119.8
135	I	27.9	Very low	29.2	Very low	137 Å²	137	147.5 Å²	147.5	70%	0.703	75%	0.752	S	S	*	*				95.2	150.9	52.8	-76.2	172.8	0	0	0	112.5
136	Q	29.9	Very low	29.1	Very low	171 Å²	171	149.8 Å²	149.8	80%	0.799	75%	0.754	S	S	*	*			trans	73.4	117.9	-178.7	-74.8	155	-0.5	0	0	115.1
137	I	29.3	Very low	28.8	Very low	125 Å²	125	146.1 Å²	146.1	64%	0.641	75%	0.747	S	S	*	*			cis	82.5	94.7	36.1	-52.9	161.1	0	0	0	113.3
138	N	30	Very low	28.7	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	73%	0.734	S	S	*	*			trans	-170.7	115.1	137	-96.2	-45.2	0	0	0	106.9
139	H	30.7	Very low	28.6	Very low	152 Å²	152	142.3 Å²	142.3	70%	0.704	73%	0.731	S	S	*	*				62.5	94.8	68.6	-64.2	-60.9	0	0	0	114.2
140	N	31.6	Very low	28.9	Very low	175 Å²	175	142.3 Å²	142.3	94%	0.936	73%	0.728	S	S	*	*				-158.1	167.1	124.9	-114.3	-44.1	0	0	0	114.8
141	R	26.6	Very low	28.8	Very low	194 Å²	194	142.1 Å²	142.1	73%	0.732	73%	0.725	S	S	*	*			trans	-104.9	-171.1	-174.8	-130.2	-177.5	173.4	-170	3.2	108.5
142	P	27.9	Very low	28.6	Very low	88 Å²	88	144.3 Å²	144.3	57%	0.571	73%	0.732	S	S	*	*			cis	-139.2	172.9	-8.5	42.2	-24.3	0	0	0	117.5	Y144	P142-Y144 HydrophobicContact CB-CE2 4.49Å; P142-Y144 HydrophobicContact CG-CE2 4.17Å
143	R	25	Very low	28.8	Very low	167 Å²	167	141 Å²	141	63%	0.63	72%	0.722	S	S	*	*			trans	23.1	168.1	134.8	-60.8	176.3	162.1	177	-10.2	123.5
144	Y	27.8	Very low	28.5	Very low	172 Å²	172	144.4 Å²	144.4	68%	0.675	73%	0.734	S	S	*	*			trans	100.5	143.9	148	-50.9	-60	0	0	0	115.9	P142	P142-Y144 HydrophobicContact CB-CE2 4.49Å; P142-Y144 HydrophobicContact CG-CE2 4.17Å
145	T	27.6	Very low	28.2	Very low	122 Å²	122	148.4 Å²	148.4	75%	0.748	74%	0.741	S	S	*	*			cis	-156.6	157.6	-23	-84.8	0	0	0	0	108.7
146	I	24.8	Very low	28.3	Very low	157 Å²	157	150.6 Å²	150.6	81%	0.805	75%	0.749	S	S	*	*			trans	-63.6	153.7	174.6	-59.8	150.7	0	0	0	111.3
147	S	25.5	Very low	27.9	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	74%	0.744	S	S	*	*				150.1	126.6	119.3	-155	0	0	0	0	117.3
148	S	27.7	Very low	27.8	Very low	80 Å²	80	151.7 Å²	151.7	56%	0.559	75%	0.754	S	S	*	*			trans	53	116.3	136.4	65.6	0	0	0	0	123.9
149	H	28.4	Very low	27.8	Very low	184 Å²	184	149.7 Å²	149.7	85%	0.852	75%	0.752	S	S	*	*				57.2	175.6	113.2	-52.7	-48.8	0	0	0	121.1
150	P	33.3	Very low	27.5	Very low	108 Å²	108	151.5 Å²	151.5	70%	0.701	76%	0.761	S	S	*	*			cis	-121.5	-173.7	-22.5	21.1	1.9	0	0	0	112
151	I	29.9	Very low	27.4	Very low	156 Å²	156	152.7 Å²	152.7	80%	0.8	76%	0.758	S	S	*	*				177.8	125.1	112.9	-88.5	158.9	0	0	0	110.4
152	Q	26.5	Very low	27.3	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.822	75%	0.752	S	S	*	*			trans	-86.7	156.9	166.8	-81.3	-177.1	-14.5	0	0	109.2
153	P	29.8	Very low	27.3	Very low	110 Å²	110	149.6 Å²	149.6	71%	0.714	76%	0.763	S	S	*	*				-152.1	-173.5	80	46.6	-27.5	0	0	0	112.9
154	Q	28.6	Very low	27.3	Very low	182 Å²	182	148.6 Å²	148.6	85%	0.85	77%	0.769	S	S	*	*			cis	-148.1	162.6	-4.6	-147.4	155	-34.5	0	0	110.4
155	Y	23	Very low	27.3	Very low	212 Å²	212	148.8 Å²	148.8	83%	0.831	78%	0.776	S	S	*	*			trans	-71.2	146.8	165.8	-83.6	-110.5	0	0	0	112
156	Q	29.8	Very low	27.3	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	77%	0.772	S	S	*	*			trans	-148.2	141.7	135.5	-117.3	173.7	8.2	0	0	110.4
157	S	23.1	Very low	27.5	Very low	101 Å²	101	148.2 Å²	148.2	71%	0.706	77%	0.765	S	S	*	*			trans	-137.7	117.1	-172.6	-179.4	0	0	0	0	110.9
158	Y	27.3	Very low	27.7	Very low	217 Å²	217	146.3 Å²	146.3	85%	0.851	76%	0.761	S	S	*	*			trans	-158.5	151.4	168.1	-73.6	-79.7	0	0	0	107.6
159	S	28.7	Very low	27.7	Very low	109 Å²	109	145.4 Å²	145.4	76%	0.762	75%	0.753	S	S	*	*			cis	-162.4	145.2	-27.1	-174.6	0	0	0	0	107.9
160	Q	24.8	Very low	27.7	Very low	189 Å²	189	140.7 Å²	140.7	88%	0.883	73%	0.733	S	S	*	*			trans	-68.9	123.6	-174.3	-177.3	-178.3	28.9	0	0	113.7
161	K	29.4	Very low	27.4	Very low	201 Å²	201	140.9 Å²	140.9	87%	0.874	73%	0.727	S	S	*	*			trans	-164.1	139.4	153.8	-98.9	172.7	-173.7	-178.4	0	106.8
162	G	25.1	Very low	27.2	Very low	60 Å²	60	136.5 Å²	136.5	62%	0.619	72%	0.721	S	S	*	*			cis	111.1	139.2	9.7	0	0	0	0	0	110.5
163	I	27.3	Very low	27.3	Very low	156 Å²	156	134.2 Å²	134.2	80%	0.8	73%	0.725	S	S	*	*			trans	79.3	111.2	-164.3	-50.9	156	0	0	0	110
164	I	24.3	Very low	27	Very low	147 Å²	147	134.6 Å²	134.6	75%	0.754	73%	0.73	S	S	*	*			cis	84	106.3	36.3	-54.6	166.7	0	0	0	113.5
165	Q	28.3	Very low	26.9	Very low	175 Å²	175	130.8 Å²	130.8	82%	0.818	72%	0.723	S	S	*	*			trans	158.8	158.8	149.5	-92.8	177.1	-9.7	0	0	108.6
166	Q	27.2	Very low	27	Very low	142 Å²	142	126.3 Å²	126.3	66%	0.664	72%	0.718	S	S	*	*			cis	-168.5	166.5	-44.1	-129.9	-178	-81.7	0	0	108
167	D	29.6	Very low	27	Very low	125 Å²	125	126 Å²	126	67%	0.668	72%	0.716	S	S	*	*			trans	63.3	152.9	158	-53	-9.2	0	0	0	121.7
168	G	29.5	Very low	27	Very low	58 Å²	58	126.9 Å²	126.9	60%	0.598	72%	0.721	S	S	*	*			trans	111.7	114.4	160.4	0	0	0	0	0	115.9
169	T	28.6	Very low	27.1	Very low	62 Å²	62	123.7 Å²	123.7	38%	0.38	72%	0.717	S	S	.	*			trans	-165	168.4	-171.4	-4.4	0	0	0	0	116.8	I897 N898 T899	T169-I897 WeakPolarHBondContact O-CA 3.42Å; T169-I897 WeakPolarHBondContact O-CG1 3.42Å; T169-N898 PolarHBondContact N-OD1 3.28Å; T169-N898 VanDerWaalsContact N-OD1 3.15Å; T169-N898 PolarHBondContact OG1-OD1 3.46Å; T169-T899 VanDerWaalsContact CB-N 3.29Å; T169-T899 VanDerWaalsContact OG1-CB 3.25Å; T169-T899 WeakPolarHBondContact OG1-CB 3.37Å; T169-T899 PolarHBondContact OG1-N 3.44Å
170	I	27.4	Very low	26.9	Very low	84 Å²	84	123.7 Å²	123.7	43%	0.431	72%	0.715	S	S	.	*			trans	76	144.6	148.1	-86.8	-179.7	0	0	0	120.6	I897 T899	I170-I897 PolarHBondContact O-N 3.17Å; I170-T899 VanDerWaalsContact CD1-OG1 3.26Å; I170-T899 WeakPolarHBondContact CD1-OG1 3.46Å
171	L	27.3	Very low	27.1	Very low	112 Å²	112	120.3 Å²	120.3	59%	0.586	71%	0.707	S	S	*	*			trans	58.9	127.6	170.8	-82.9	152.1	0	0	0	116	A895 S896	L171-A895 WeakPolarHBondContact CD1-O 3.3Å; L171-S896 VanDerWaalsContact CB-CA 3.41Å
172	G	25.6	Very low	27.1	Very low	65 Å²	65	115 Å²	115	67%	0.67	70%	0.695	S	S	*	*			cis	121.2	113.1	8	0	0	0	0	0	110.9
173	S	27.8	Very low	27.2	Very low	128 Å²	128	118 Å²	118	90%	0.895	70%	0.701	S	S	*	*			trans	-158.3	153.3	170.6	54.4	0	0	0	0	110.5
174	S	25.2	Very low	27.3	Very low	118 Å²	118	117.3 Å²	117.3	83%	0.825	70%	0.698	S	S	*	*			trans	-91.5	148.9	-174.9	50.4	0	0	0	0	112.4
175	S	25.8	Very low	27.4	Very low	101 Å²	101	116.2 Å²	116.2	71%	0.706	70%	0.7	S	S	*	*				176.5	129.7	121.5	-169	0	0	0	0	112.8	H177	S175-H177 PolarHBondContact O-N 3.1Å
176	T	25.1	Very low	27.4	Very low	119 Å²	119	114.8 Å²	114.8	73%	0.73	70%	0.698	S	S	*	*			trans	21	97.3	134.2	-32.1	0	0	0	0	118.4
177	H	29.4	Very low	27.5	Very low	178 Å²	178	119.6 Å²	119.6	82%	0.824	71%	0.71	S	S	*	*			trans	-147.5	128.2	151	-110.2	-77.1	0	0	0	112.5	S175	S175-H177 PolarHBondContact O-N 3.1Å
178	C	23.9	Very low	27.4	Very low	119 Å²	119	120 Å²	120	80%	0.804	72%	0.717	S	S	*	*			trans	-78.4	130.3	178.3	-55	0	0	0	0	111
179	I	28.4	Very low	27.3	Very low	149 Å²	149	127 Å²	127	76%	0.764	73%	0.731	S	S	*	*			trans	-113.3	113.3	174.9	-62.4	178.2	0	0	0	109.7	V181	I179-V181 HydrophobicContact CG2-CG2 3.87Å
180	P	25.8	Very low	27.4	Very low	110 Å²	110	130.7 Å²	130.7	71%	0.714	75%	0.748	S	S	*	*			trans	-94.1	108	172.8	33.7	-28.4	0	0	0	110.7
181	V	28.9	Very low	27.5	Very low	118 Å²	118	131.8 Å²	131.8	72%	0.715	76%	0.761	S	S	*	*			trans	-115.9	149.8	171.3	172.5	0	0	0	0	111.1	I179	I179-V181 HydrophobicContact CG2-CG2 3.87Å
182	S	29.7	Very low	27.7	Very low	89 Å²	89	133 Å²	133	62%	0.622	78%	0.778	S	S	*	*			trans	-107.8	152.5	-178.5	-59.9	0	0	0	0	111
183	T	27.1	Very low	27.9	Very low	123 Å²	123	133.8 Å²	133.8	76%	0.755	79%	0.786	S	S	*	*			trans	13.5	119.3	144.5	-35.3	0	0	0	0	118.5
184	I	29	Very low	27.9	Very low	142 Å²	142	133.1 Å²	133.1	73%	0.728	78%	0.776	S	S	*	*				175	111.4	125.2	-86.4	150.3	0	0	0	108.5	N186	I184-N186 HydrophobicContact CG2-CB 4.27Å; I184-N186 PolarHBondContact O-N 3.17Å
185	P	26.4	Very low	28	Very low	123 Å²	123	132.2 Å²	132.2	80%	0.799	78%	0.777	S	S	*	*			trans	-90	76.2	169.6	34.8	-31.1	0	0	0	110.2
186	N	27	Very low	28.2	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	78%	0.78	S	S	*	*			trans	-164	90.7	168	-104.5	-25.6	0	0	0	111.1	I184	I184-N186 HydrophobicContact CG2-CB 4.27Å; I184-N186 PolarHBondContact O-N 3.17Å
187	R	29.4	Very low	28.4	Very low	243 Å²	243	134.4 Å²	134.4	92%	0.917	79%	0.785	S	S	*	*			trans	-141.4	136.1	160.2	-83.4	-162	172.6	-159.2	-2.1	110.4
188	V	27.7	Very low	28.3	Very low	133 Å²	133	135.1 Å²	135.1	81%	0.806	79%	0.789	S	S	*	*			trans	-68.5	135.1	170.5	176.6	0	0	0	0	108.8	L190	V188-L190 PolarHBondContact O-N 2.89Å
189	F	28.3	Very low	28.5	Very low	205 Å²	205	135 Å²	135	90%	0.899	79%	0.789	S	S	*	*			trans	-72.7	113.8	168.7	-84.6	-93.4	0	0	0	109.6
190	L	30.6	Very low	28.4	Very low	139 Å²	139	133 Å²	133	73%	0.728	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-84.2	144.5	159.5	-73.3	164.3	0	0	0	108.6	V188	V188-L190 PolarHBondContact O-N 2.89Å
191	P	29	Very low	28.6	Very low	108 Å²	108	136.2 Å²	136.2	70%	0.701	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.2	153	177.1	28.8	-34.8	0	0	0	111.7	G193	P191-G193 PolarHBondContact O-N 3.46Å
192	S	31.2	Very low	28.3	Very low	136 Å²	136	138.4 Å²	138.4	95%	0.951	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	131.6	178	-59.2	0	0	0	0	112
193	G	30.3	Very low	28.2	Very low	82 Å²	82	141.5 Å²	141.5	85%	0.845	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.7	-17.8	176.6	0	0	0	0	0	114.7	P191	P191-G193 PolarHBondContact O-N 3.46Å
194	V	28.9	Very low	28	Very low	114 Å²	114	143.8 Å²	143.8	69%	0.691	81%	0.81	S	S	*	*			trans	-104.3	106.6	-176.9	-174.7	0	0	0	0	111.3	V196	V194-V196 HydrophobicContact CG1-CG2 4.03Å
195	A	27.2	Very low	27.8	Very low	100 Å²	100	142.5 Å²	142.5	83%	0.826	81%	0.813	S	S	*	*			trans	-99	137.4	165.2	0	0	0	0	0	109.9
196	V	28.6	Very low	27.8	Very low	130 Å²	130	141.7 Å²	141.7	79%	0.788	81%	0.805	S	S	*	*			trans	-134.5	113.5	173.9	-178.8	0	0	0	0	109.1	V194	V194-V196 HydrophobicContact CG1-CG2 4.03Å
197	T	30.5	Very low	27.8	Very low	135 Å²	135	141.6 Å²	141.6	83%	0.828	81%	0.811	S	S	*	*			trans	-77.9	143.1	169.6	37.8	0	0	0	0	110.4	S199	T197-S199 PolarHBondContact O-N 2.98Å
198	Q	26.5	Very low	27.7	Very low	193 Å²	193	133.1 Å²	133.1	90%	0.902	80%	0.798	S	S	*	*			trans	-84.8	100.8	-174.6	-168.2	175.2	18	0	0	110.9
199	S	27.5	Very low	27.9	Very low	116 Å²	116	133 Å²	133	81%	0.811	80%	0.804	S	S	*	*			trans	-131.9	144.7	166	-168.9	0	0	0	0	110.1	T197	T197-S199 PolarHBondContact O-N 2.98Å
200	S	26	Very low	27.9	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	80%	0.795	S	S	*	*			trans	-83	149	-176	-62.7	0	0	0	0	111.9
201	Q	30.9	Very low	27.9	Very low	179 Å²	179	129.4 Å²	129.4	84%	0.836	80%	0.804	S	S	*	*	S	Bend	trans	82.6	105	173.1	-49.4	-177	15.8	0	0	116.9
202	I	23.6	Very low	27.8	Very low	163 Å²	163	132.9 Å²	132.9	84%	0.836	81%	0.811	S	S	*	*			trans	43.2	99.2	143.7	-43.2	176	0	0	0	117.6
203	I	26.1	Very low	27.4	Very low	155 Å²	155	131.7 Å²	131.7	80%	0.795	80%	0.8	S	S	*	*			trans	-131.1	136.4	146	-60.8	-176.8	0	0	0	109.2
204	Q	23.4	Very low	27.2	Very low	170 Å²	170	134.8 Å²	134.8	79%	0.794	80%	0.803	S	S	*	*			trans	-99.9	117.7	177.6	172.6	-174.8	-6	0	0	109.2
205	C	25.3	Very low	27	Very low	116 Å²	116	135.8 Å²	135.8	78%	0.784	80%	0.803	S	S	*	*			trans	-116.9	136.1	176.3	-66	0	0	0	0	110.7
206	T	26.4	Very low	26.8	Very low	105 Å²	105	137 Å²	137	64%	0.644	80%	0.795	S	S	*	*			trans	-133.5	172.9	-175.3	52.8	0	0	0	0	111.3
207	T	26.7	Very low	26.5	Very low	145 Å²	145	140.4 Å²	140.4	89%	0.89	80%	0.799	S	S	*	*			trans	76.3	148.7	178.8	77.1	0	0	0	0	115.3
208	G	28	Very low	26.1	Very low	64 Å²	64	143 Å²	143	66%	0.66	80%	0.802	S	S	*	*	S	Bend	cis	-119	-176.5	3.4	0	0	0	0	0	115.7
209	S	32	Very low	26.1	Very low	131 Å²	131	142.5 Å²	142.5	92%	0.916	80%	0.8	S	S	*	*	S	Bend	trans	56.7	69.1	173.6	61.7	0	0	0	0	119.2
210	G	27.7	Very low	26.1	Very low	70 Å²	70	142.5 Å²	142.5	72%	0.722	80%	0.797	S	S	*	*				63.7	122.2	123.2	0	0	0	0	0	122.5
211	Q	29.7	Very low	26.1	Very low	198 Å²	198	146.7 Å²	146.7	93%	0.925	81%	0.805	S	S	*	*			trans	68.4	131.1	168.9	-47.4	-178.6	14.7	0	0	115.5
212	Q	26.7	Very low	26.2	Very low	181 Å²	181	143.7 Å²	143.7	85%	0.846	80%	0.803	S	S	*	*			cis	-149.9	146.1	-13.6	-134.9	-166.1	24.5	0	0	107.3
213	P	23.8	Very low	26.6	Very low	111 Å²	111	144.8 Å²	144.8	72%	0.721	81%	0.805	S	S	*	*			trans	-91.2	151.3	-171.9	35	-34.1	0	0	0	114.3
214	V	26.5	Very low	26.5	Very low	148 Å²	148	144.4 Å²	144.4	90%	0.897	81%	0.805	S	S	*	*			trans	-129.5	147	167.5	-178.4	0	0	0	0	108.7
215	L	23	Very low	26.9	Very low	134 Å²	134	142.9 Å²	142.9	70%	0.702	81%	0.807	S	S	*	*			trans	-127.8	143	-155.5	-74.9	172.1	0	0	0	114.4
216	I	24.2	Very low	26.8	Very low	126 Å²	126	142 Å²	142	65%	0.646	80%	0.802	S	S	*	*			trans	64.3	126.6	140.9	-59.1	167.6	0	0	0	115.6
217	F	21.7	Very low	27.1	Very low	201 Å²	201	145.1 Å²	145.1	88%	0.882	81%	0.81	S	S	*	*				-151.1	147	66.2	-93.4	-82.8	0	0	0	114.4
218	Q	22.6	Very low	27.3	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	80%	0.801	S	S	*	*			trans	-152.3	119.7	155.5	-176.8	174	15.8	0	0	111.5
219	Q	25.7	Very low	27.4	Very low	183 Å²	183	147.7 Å²	147.7	86%	0.855	81%	0.806	S	S	*	*			trans	-173.3	165.6	162.6	-112.4	-170.3	-23	0	0	109.5
220	P	27.5	Very low	27	Very low	115 Å²	115	146.2 Å²	146.2	75%	0.747	80%	0.796	S	S	*	*			cis	-121.3	166.6	-12.5	38.2	-24.7	0	0	0	113.8
221	Q	27.5	Very low	27	Very low	195 Å²	195	150.5 Å²	150.5	91%	0.911	80%	0.801	S	S	*	*			trans	-108.4	130.5	169.4	-175.9	-174.6	35	0	0	108.9
222	S	31.9	Very low	26.9	Very low	116 Å²	116	145.3 Å²	145.3	81%	0.811	79%	0.787	S	S	*	*			trans	-116.4	91.4	-179.6	59.8	0	0	0	0	112.4
223	Q	31.8	Very low	26.9	Very low	186 Å²	186	141.9 Å²	141.9	87%	0.869	78%	0.783	S	S	*	*			trans	25.5	131.6	149.4	-63.9	177.5	-13.2	0	0	121.3
224	N	25.4	Very low	27.1	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	78%	0.781	S	S	*	*			trans	-63.8	162	152.4	-66.7	-69.5	0	0	0	111.3
225	T	29.9	Very low	27.1	Very low	138 Å²	138	139.5 Å²	139.5	85%	0.847	77%	0.77	S	S	*	*				-155.5	145.9	123.2	-74.8	0	0	0	0	109.3
226	S	25.1	Very low	27.4	Very low	98 Å²	98	141 Å²	141	69%	0.685	77%	0.774	S	S	*	*			trans	-99.5	-163.5	-174.9	-47.2	0	0	0	0	111.9
227	Q	32.2	Very low	27.6	Very low	171 Å²	171	140.1 Å²	140.1	80%	0.799	78%	0.779	S	S	*	*			trans	85.2	150.7	170.2	-50	-177.5	24	0	0	115.2
228	I	30.1	Very low	27.9	Very low	138 Å²	138	138 Å²	138	71%	0.708	78%	0.776	S	S	*	*			cis	-153.5	149.6	-17.2	-116.6	167.6	0	0	0	109.7
229	T	29.5	Very low	28.2	Very low	124 Å²	124	133.4 Å²	133.4	76%	0.761	77%	0.765	S	S	*	*			trans	39.8	142.8	154.9	-52	0	0	0	0	122.8
230	S	23.5	Very low	28.4	Very low	100 Å²	100	135 Å²	135	70%	0.699	76%	0.763	S	S	*	*			trans	-70.3	150.4	173.8	53.7	0	0	0	0	115.2
231	L	29.3	Very low	28.4	Very low	161 Å²	161	137.2 Å²	137.2	84%	0.843	76%	0.763	S	S	*	*			trans	-159.7	121.5	135.3	-104	157.5	0	0	0	111.4
232	S	27.6	Very low	28.6	Very low	88 Å²	88	133.5 Å²	133.5	62%	0.615	76%	0.759	S	S	*	*			trans	45.2	129	132.7	67	0	0	0	0	123.2
233	S	26	Very low	28.5	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	75%	0.754	S	S	*	*				62.7	131.3	129.9	66.8	0	0	0	0	122
234	A	28	Very low	28.5	Very low	83 Å²	83	132.1 Å²	132.1	69%	0.686	75%	0.746	S	S	*	*			trans	88.6	129.1	136.4	0	0	0	0	0	120
235	D	27.4	Very low	28.8	Very low	126 Å²	126	130.2 Å²	130.2	67%	0.674	74%	0.744	S	S	*	*			trans	66.2	116.5	138.8	-67.4	-43.3	0	0	0	122.8
236	Q	27.7	Very low	28.9	Very low	166 Å²	166	128.5 Å²	128.5	78%	0.776	74%	0.738	S	S	*	*				40.6	114.3	118.2	-54.1	177.3	69.5	0	0	117.3
237	S	28.7	Very low	29.2	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	75%	0.745	S	S	*	*				-179.7	149.3	84.5	44.5	0	0	0	0	114.5
238	L	28.3	Very low	29	Very low	156 Å²	156	130 Å²	130	82%	0.817	74%	0.742	S	S	*	*			trans	20.5	134.3	134.3	-49.8	167.2	0	0	0	117
239	S	29.7	Very low	29.2	Very low	94 Å²	94	132 Å²	132	66%	0.657	75%	0.751	S	S	*	*				-176.5	151.7	69.6	-71.3	0	0	0	0	114.6
240	R	29.9	Very low	29.4	Very low	215 Å²	215	129.4 Å²	129.4	81%	0.811	75%	0.749	S	S	*	*			trans	65.8	144.2	150.1	-68.3	157.7	-178.4	-87.2	-0.2	118.6
241	Q	27.3	Very low	29.7	Very low	162 Å²	162	129.8 Å²	129.8	76%	0.757	75%	0.752	S	S	*	*			cis	146.7	114.5	-18.3	-100.1	174.1	-19.3	0	0	107.1
242	S	30.1	Very low	29.8	Very low	118 Å²	118	127.5 Å²	127.5	83%	0.825	75%	0.749	S	S	*	*			trans	178.7	140.1	151.8	-171.4	0	0	0	0	111.5
243	I	31.5	Very low	29.9	Very low	135 Å²	135	129.3 Å²	129.3	69%	0.692	76%	0.757	S	S	*	*			cis	-162	138.5	-42.8	-120.1	164.8	0	0	0	111.2
244	I	31.8	Very low	30	Very low	137 Å²	137	129.5 Å²	129.5	70%	0.703	76%	0.758	S	S	*	*			trans	51.9	119.7	152.3	-56.5	164.8	0	0	0	121.6
245	S	31.7	Very low	30.1	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	76%	0.761	S	S	*	*				179.2	99.5	115.6	-91.8	0	0	0	0	110.8
246	S	30.7	Very low	30.2	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	77%	0.77	S	S	*	*				76.5	121.1	97.5	-59.1	0	0	0	0	113.8
247	Q	31.9	Very low	30.2	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	77%	0.773	S	S	*	*			cis	-143.2	162.4	9	-66.1	-168.1	89.1	0	0	109.6
248	T	29.1	Very low	30.2	Very low	122 Å²	122	132.7 Å²	132.7	75%	0.748	77%	0.774	S	S	*	*			cis	107.3	146.3	14.6	-53.8	0	0	0	0	114.4
249	M	33.1	Very low	30.1	Very low	180 Å²	180	131.3 Å²	131.3	89%	0.887	78%	0.776	S	S	*	*			trans	86.2	117.2	-174.3	-55.6	-68.7	-82.1	0	0	115.7
250	G	33.8	Very low	30	Very low	69 Å²	69	134.2 Å²	134.2	71%	0.711	78%	0.779	S	S	*	*			cis	172.2	172	-9.9	0	0	0	0	0	108.3
251	S	29.7	Very low	29.9	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	78%	0.775	S	S	*	*			cis	169.8	120.4	-13.7	-83.3	0	0	0	0	105.9
252	S	31.1	Very low	29.9	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	78%	0.78	S	S	*	*			trans	158.8	123	138	-72.4	0	0	0	0	115.9
253	T	30.6	Very low	29.8	Very low	126 Å²	126	129 Å²	129	77%	0.773	78%	0.775	S	S	*	*			trans	32.4	109.1	144.1	60.2	0	0	0	0	120.3
254	S	28.2	Very low	29.7	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	78%	0.784	S	S	*	*				79.2	158.3	85.7	-146.3	0	0	0	0	113.2
255	I	29.4	Very low	29.3	Very low	147 Å²	147	133.2 Å²	133.2	75%	0.754	79%	0.79	S	S	*	*			cis	-147	143.3	22.7	-49.6	159.3	0	0	0	111.9
256	K	29.6	Very low	29	Very low	201 Å²	201	133.9 Å²	133.9	87%	0.874	78%	0.782	S	S	*	*			trans	68.5	156.8	167.6	-88.3	-179.5	177.4	-179	0	118.5
257	P	28	Very low	28.8	Very low	127 Å²	127	138.4 Å²	138.4	83%	0.825	78%	0.783	S	S	*	*			trans	-111.7	156.6	-155.6	40.8	-33.2	0	0	0	116.4
258	G	28.1	Very low	28.6	Very low	75 Å²	75	138.1 Å²	138.1	77%	0.773	79%	0.787	S	S	*	*			trans	-141	157.1	160.2	0	0	0	0	0	109
259	C	26.2	Very low	28.7	Very low	128 Å²	128	137.6 Å²	137.6	87%	0.865	79%	0.788	S	S	*	*			trans	-111	139.2	-164.6	-49.6	0	0	0	0	113.2
260	Q	27.6	Very low	28.4	Very low	154 Å²	154	133.5 Å²	133.5	72%	0.72	79%	0.791	S	S	*	*			trans	-173.5	168.2	132.2	-111.3	-178.5	31.6	0	0	115.2
261	Q	28.9	Very low	28.3	Very low	157 Å²	157	141.4 Å²	141.4	73%	0.734	80%	0.8	S	S	*	*			trans	72.1	94.1	162.4	-73.1	179.1	-7.5	0	0	120.7
262	D	27.2	Very low	28.1	Very low	159 Å²	159	144.4 Å²	144.4	85%	0.85	79%	0.794	S	S	*	*				64.4	129.7	119.3	-61.3	-41	0	0	0	122.7
263	G	28.8	Very low	28	Very low	70 Å²	70	146.4 Å²	146.4	72%	0.722	80%	0.795	S	S	*	*			trans	166.8	30.2	174.5	0	0	0	0	0	115.5	Y265	G263-Y265 PolarHBondContact O-N 3Å
264	V	27.5	Very low	27.8	Very low	148 Å²	148	151.5 Å²	151.5	90%	0.897	80%	0.8	S	S	*	*			trans	-77.4	117.2	-173.1	-179.8	0	0	0	0	112.1
265	Y	23.3	Very low	27.7	Very low	212 Å²	212	152.1 Å²	152.1	83%	0.831	80%	0.798	S	S	*	*			trans	-109.2	152.7	167.2	-115	-99.2	0	0	0	110.9	G263	G263-Y265 PolarHBondContact O-N 3Å
266	E	26.6	Very low	27.4	Very low	123 Å²	123	149.9 Å²	149.9	58%	0.575	80%	0.802	S	S	*	*			trans	60.9	135.2	162.6	-68.3	-137.6	112.1	0	0	122.3
267	R	25.2	Very low	27.3	Very low	197 Å²	197	146.1 Å²	146.1	74%	0.743	80%	0.796	S	S	*	*			trans	45.8	117.2	140.2	-58.7	174.7	-164.5	170.1	14.8	119.8
268	L	29.5	Very low	27.2	Very low	172 Å²	172	146.2 Å²	146.2	90%	0.901	80%	0.8	S	S	*	*				-170.1	161.4	113.4	-103.3	162.8	0	0	0	113.5
269	S	30.3	Very low	27	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	79%	0.792	S	S	*	*			trans	-48	129.3	-173.7	-63.3	0	0	0	0	116.4	R271	S269-R271 PolarHBondContact O-N 3.2Å
270	G	27.6	Very low	26.9	Very low	93 Å²	93	146.6 Å²	146.6	96%	0.959	79%	0.789	S	S	*	*			trans	-70.8	92.4	174.8	0	0	0	0	0	113.8
271	R	30.2	Very low	26.8	Very low	235 Å²	235	146.2 Å²	146.2	89%	0.887	79%	0.792	S	S	*	*			trans	-105.2	141.8	170.9	-152.6	177	-166.2	-175.9	4.9	110	S269 I273	S269-R271 PolarHBondContact O-N 3.2Å; R271-I273 PolarHBondContact O-N 3.42Å
272	R	27.1	Very low	26.6	Very low	172 Å²	172	143.6 Å²	143.6	65%	0.649	80%	0.797	S	S	*	*			trans	-45.3	124.4	-179.4	-85.7	-180	161.6	-168.5	-8.2	112.6	E723	R272-E723 IonicContact CZ-OE1 3.76Å; R272-E723 IonicContact NH1-OE1 3Å; R272-E723 PolarHBondContact NH1-OE1 2.9Å; R272-E723 IonicContact NH2-OE1 3.69Å
273	I	27.4	Very low	26.5	Very low	155 Å²	155	142.4 Å²	142.4	80%	0.795	80%	0.795	S	S	*	*			trans	-91.3	138.6	152.6	-65.1	179.7	0	0	0	108.1	R271	R271-I273 PolarHBondContact O-N 3.42Å
274	R	26.5	Very low	26.2	Very low	233 Å²	233	146.4 Å²	146.4	88%	0.879	80%	0.799	S	S	*	*			trans	-97.7	129	172.5	-74.3	179.3	-76.1	-155.9	-3.4	108.9
275	V	26.6	Very low	26.1	Very low	125 Å²	125	146.5 Å²	146.5	76%	0.758	79%	0.793	S	S	*	*			trans	-111.1	126.3	160.5	-177	0	0	0	0	107	T277	V275-T277 HydrophobicContact CG1-CG2 4.17Å
276	A	23.3	Very low	26.2	Very low	101 Å²	101	146.4 Å²	146.4	84%	0.835	79%	0.791	S	S	*	*			trans	-109	113.1	175	0	0	0	0	0	108.7
277	T	28.4	Very low	26.2	Very low	122 Å²	122	147.1 Å²	147.1	75%	0.748	81%	0.805	S	S	*	*			trans	-113.5	98.9	176.9	39.4	0	0	0	0	110.4	V275 S279	V275-T277 HydrophobicContact CG1-CG2 4.17Å; T277-S279 PolarHBondContact O-N 3.38Å; T277-S279 VanDerWaalsContact O-N 3.1Å
278	S	23.9	Very low	26.2	Very low	128 Å²	128	142.9 Å²	142.9	90%	0.895	81%	0.805	S	S	*	*			trans	-76.5	87.5	169.9	51.4	0	0	0	0	110.4
279	S	24.4	Very low	26	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	80%	0.8	S	S	*	*			trans	-147.1	122.7	171.4	-175.2	0	0	0	0	111.8	T277 N281	T277-S279 PolarHBondContact O-N 3.38Å; T277-S279 VanDerWaalsContact O-N 3.1Å; S279-N281 VanDerWaalsContact C-N 3.32Å; S279-N281 PolarHBondContact O-N 2.9Å; S279-N281 VanDerWaalsContact O-N 3.08Å
280	P	25.2	Very low	25.8	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	58.3	-173.5	36.8	-36.9	0	0	0	112.6
281	N	25.1	Very low	25.8	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.1	16.5	-179.9	-101.9	-39.9	0	0	0	116.1	S279 V283	S279-N281 VanDerWaalsContact C-N 3.32Å; S279-N281 PolarHBondContact O-N 2.9Å; S279-N281 VanDerWaalsContact O-N 3.08Å; N281-V283 PolarHBondContact O-N 3.3Å
282	A	24.7	Very low	25.6	Very low	102 Å²	102	134.1 Å²	134.1	84%	0.843	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.9	118.3	-178.3	0	0	0	0	0	112.6
283	V	25	Very low	25.5	Very low	133 Å²	133	134 Å²	134	81%	0.806	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-87.2	131.7	177.2	177.8	0	0	0	0	110.7	N281	N281-V283 PolarHBondContact O-N 3.3Å
284	L	23.2	Very low	25.4	Very low	154 Å²	154	132.3 Å²	132.3	81%	0.806	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-92.6	124.5	176.8	-160.1	82.6	0	0	0	110.9
285	I	24.7	Very low	25.4	Very low	150 Å²	150	127.6 Å²	127.6	77%	0.769	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-97.2	122.9	173.4	-58.6	175.6	0	0	0	108.9	T287	I285-T287 HydrophobicContact CG2-CG2 4.41Å
286	R	25.1	Very low	25.4	Very low	210 Å²	210	128.7 Å²	128.7	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-103.7	128.8	162.7	-81.1	-177.6	172.1	162.1	-0.9	109
287	T	26.9	Very low	25.4	Very low	139 Å²	139	129.8 Å²	129.8	85%	0.853	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-102.7	150.8	165.5	49.6	0	0	0	0	110	I285	I285-T287 HydrophobicContact CG2-CG2 4.41Å
288	S	24.9	Very low	25.3	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	79%	0.788	S	S	*	*			trans	-128.8	128.7	-178.4	55.3	0	0	0	0	110.9
289	S	25.3	Very low	25.5	Very low	114 Å²	114	128.6 Å²	128.6	80%	0.797	78%	0.78	S	S	*	*	S	Bend	trans	62.1	142.9	172.5	49.6	0	0	0	0	118.7
290	S	27.4	Very low	25.6	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	79%	0.789	S	S	*	*	S	Bend	trans	52.6	110.7	163.7	59.1	0	0	0	0	120
291	G	25.7	Very low	25.8	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	79%	0.787	S	S	*	*			trans	89.4	141.3	143.4	0	0	0	0	0	118.2
292	C	25.9	Very low	25.9	Very low	125 Å²	125	127.8 Å²	127.8	85%	0.845	79%	0.79	S	S	*	*			trans	56	93.9	156.1	-53.1	0	0	0	0	118.2
293	L	25.3	Very low	26.1	Very low	169 Å²	169	127.3 Å²	127.3	89%	0.885	78%	0.781	S	S	*	*			trans	-93.5	96.3	159.2	-83.6	173	0	0	0	110.8	V295	L293-V295 PolarHBondContact O-N 3.01Å
294	T	25.6	Very low	26.3	Very low	119 Å²	119	128.9 Å²	128.9	73%	0.73	78%	0.779	S	S	*	*			trans	-75.9	108.7	168.6	-51.6	0	0	0	0	109.7	I296	T294-I296 HydrophobicContact CG2-CG1 4.03Å; T294-I296 PolarHBondContact O-N 3.13Å
295	V	26.1	Very low	26.7	Very low	135 Å²	135	129 Å²	129	82%	0.818	78%	0.78	S	S	*	*			trans	-77.6	90.1	176.1	-177.5	0	0	0	0	109.7	L293	L293-V295 PolarHBondContact O-N 3.01Å
296	I	26.7	Very low	26.8	Very low	147 Å²	147	125.7 Å²	125.7	75%	0.754	77%	0.77	S	S	*	*			trans	-83.3	114.2	167.3	-55.9	-176.9	0	0	0	107.9	T294 P298	T294-I296 HydrophobicContact CG2-CG1 4.03Å; T294-I296 PolarHBondContact O-N 3.13Å; I296-P298 WeakPolarHBondContact O-CD 3.3Å
297	N	24.6	Very low	27	Very low	125 Å²	125	123.7 Å²	123.7	67%	0.668	77%	0.769	S	S	*	*			trans	-82.5	116.7	-174.4	-179.4	16.4	0	0	0	112.2
298	P	26.7	Very low	27.2	Very low	120 Å²	120	123.4 Å²	123.4	78%	0.779	76%	0.761	S	S	*	*			trans	-104.3	84.5	174.5	35	-20.6	0	0	0	110.1	I296	I296-P298 WeakPolarHBondContact O-CD 3.3Å
299	S	27.5	Very low	27.3	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	76%	0.763	S	S	*	*			trans	-150.9	99.5	173.1	-76.8	0	0	0	0	109.9
300	G	26.9	Very low	27.5	Very low	76 Å²	76	125 Å²	125	78%	0.784	76%	0.761	S	S	*	*			trans	173.9	64.6	-173.1	0	0	0	0	0	113.3
301	T	28.1	Very low	27.6	Very low	125 Å²	125	122.7 Å²	122.7	77%	0.767	76%	0.756	S	S	*	*			trans	-143.3	147.7	170.1	46	0	0	0	0	111.4
302	T	28.7	Very low	27.8	Very low	140 Å²	140	127.7 Å²	127.7	86%	0.859	76%	0.76	S	S	*	*			trans	65.5	128	178.5	66.3	0	0	0	0	115
303	S	27.1	Very low	28.2	Very low	92 Å²	92	130.7 Å²	130.7	64%	0.643	76%	0.761	S	S	*	*			cis	-145.2	158.1	21	-62.2	0	0	0	0	112.9
304	E	30.4	Very low	28.2	Very low	165 Å²	165	128 Å²	128	77%	0.771	76%	0.757	S	S	*	*				177	157.9	124.9	-88.6	-86	111	0	0	109.1
305	L	30.8	Very low	28.5	Very low	157 Å²	157	130.5 Å²	130.5	82%	0.822	77%	0.765	S	S	*	*			trans	66.7	142.5	174.6	-56.9	167.9	0	0	0	118.8
306	S	27.4	Very low	28.5	Very low	80 Å²	80	133 Å²	133	56%	0.559	77%	0.767	S	S	*	*				-174.3	150.7	-68.7	52	0	0	0	0	111.9
307	H	29.1	Very low	28.6	Very low	168 Å²	168	129.3 Å²	129.3	78%	0.778	77%	0.765	S	S	*	*			trans	69.8	152.8	162.5	-58.2	-54	0	0	0	117.5
308	I	30.3	Very low	28.7	Very low	134 Å²	134	127.5 Å²	127.5	69%	0.687	77%	0.768	S	S	*	*			cis	-157.7	148.6	-6.5	-116.7	164.5	0	0	0	110.5
309	N	28.4	Very low	28.7	Very low	145 Å²	145	128.6 Å²	128.6	78%	0.775	77%	0.767	S	S	*	*			trans	58.6	169	162.7	-82.3	-18.1	0	0	0	120.9
310	S	28.3	Very low	29	Very low	108 Å²	108	129.1 Å²	129.1	76%	0.755	76%	0.761	S	S	*	*			cis	-176.7	156.3	-43.1	-94.3	0	0	0	0	110.7
311	G	30.3	Very low	29.2	Very low	70 Å²	70	132 Å²	132	72%	0.722	76%	0.759	S	S	*	*			trans	102	112.8	176.8	0	0	0	0	0	112.5
312	Q	28.8	Very low	29.3	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	76%	0.761	S	S	*	*				61.7	112.8	64.1	-67	-168.8	-30.3	0	0	114.5
313	H	34.3	Very low	29.6	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.866	76%	0.757	S	S	*	*				-170.6	157.4	102.8	-92.6	-70.6	0	0	0	110.4
314	S	27	Very low	29.7	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	77%	0.771	S	S	*	*			trans	-121.7	149.9	-175.8	-55.3	0	0	0	0	111.7
315	L	31	Very low	29.5	Very low	172 Å²	172	131.8 Å²	131.8	90%	0.901	77%	0.769	S	S	*	*			trans	176.1	125.9	156.1	-94	150.4	0	0	0	105.8
316	H	25.6	Very low	29.5	Very low	188 Å²	188	132.7 Å²	132.7	87%	0.87	77%	0.773	S	S	*	*			cis	103.6	122.2	16.5	-152.5	86.8	0	0	0	114.3
317	G	28.9	Very low	29.3	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	78%	0.779	S	S	*	*			trans	85.9	157.1	-179.3	0	0	0	0	0	115.6
318	A	27.1	Very low	29.1	Very low	87 Å²	87	130.7 Å²	130.7	72%	0.719	78%	0.777	S	S	*	*			cis	-168.7	154.5	-22	0	0	0	0	0	109.5
319	N	27.8	Very low	28.9	Very low	142 Å²	142	131.1 Å²	131.1	76%	0.759	79%	0.786	S	S	*	*			trans	62	163.6	163.3	-77.7	34.2	0	0	0	117.6
320	D	33.6	Very low	28.8	Very low	116 Å²	116	129 Å²	129	62%	0.62	79%	0.789	S	S	*	*			cis	-146.2	150.4	-2.2	-121.2	-33.5	0	0	0	113.6
321	N	30	Very low	28.7	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	79%	0.792	S	S	*	*			trans	29.6	127.9	151.5	-63.4	-39.5	0	0	0	125.2
322	S	29.8	Very low	28.6	Very low	116 Å²	116	132.4 Å²	132.4	81%	0.811	80%	0.796	S	S	*	*			trans	98.3	145.7	132.4	-68.8	0	0	0	0	121.7
323	P	34.9	Very low	28.6	Very low	118 Å²	118	133.2 Å²	133.2	77%	0.766	80%	0.797	S	S	*	*			trans	-114.7	167.8	-165.3	42.5	-31.9	0	0	0	114.7
324	L	30.3	Very low	28.3	Very low	178 Å²	178	129.9 Å²	129.9	93%	0.932	79%	0.791	S	S	*	*			trans	-154	146.2	160.6	-111	151.7	0	0	0	111.6
325	S	25.2	Very low	28.4	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	79%	0.793	S	S	*	*			trans	-111.9	141.7	-169	49.9	0	0	0	0	113
326	I	31	Very low	28.2	Very low	176 Å²	176	129.6 Å²	129.6	90%	0.903	79%	0.786	S	S	*	*			trans	-141.7	139.1	164	-53.5	-179.2	0	0	0	108.9
327	S	23.8	Very low	28.3	Very low	99 Å²	99	126.5 Å²	126.5	69%	0.692	78%	0.781	S	S	*	*			trans	-95.6	156.4	-169.3	-59.5	0	0	0	0	115.3
328	S	25.4	Very low	28.2	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	78%	0.78	S	S	*	*			trans	49.9	112.4	143.4	61.2	0	0	0	0	120.5
329	T	26.2	Very low	28.4	Very low	143 Å²	143	131.1 Å²	131.1	88%	0.877	78%	0.779	S	S	*	*			trans	-156.8	147.5	133.6	-6.2	0	0	0	0	110.8
330	A	26.2	Very low	28.7	Very low	102 Å²	102	130 Å²	130	84%	0.843	78%	0.78	S	S	*	*			trans	-83	133.5	178	0	0	0	0	0	111.4
331	V	26.7	Very low	28.7	Very low	132 Å²	132	129.8 Å²	129.8	80%	0.8	78%	0.778	S	S	*	*			trans	-139.3	121.9	173.4	-173.8	0	0	0	0	110.1
332	S	26.2	Very low	28.9	Very low	116 Å²	116	129.3 Å²	129.3	81%	0.811	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64.8	138.2	177.3	-51.4	0	0	0	0	112
333	K	30.7	Very low	29.1	Very low	195 Å²	195	128.2 Å²	128.2	85%	0.848	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-89.1	131.2	171.2	-69	-178.1	179.4	177.4	0	110.2
334	P	27.1	Very low	28.9	Very low	116 Å²	116	126.5 Å²	126.5	75%	0.753	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.7	141.8	-179.4	31.2	-34.7	0	0	0	111.7
335	V	28.8	Very low	29	Very low	134 Å²	134	123.8 Å²	123.8	81%	0.812	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-92.4	124.4	170.3	178.7	0	0	0	0	108.6
336	L	26.7	Very low	29.2	Very low	146 Å²	146	127.8 Å²	127.8	76%	0.764	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-83.6	124.7	168	-83.5	90.5	0	0	0	110
337	T	27.9	Very low	29.1	Very low	123 Å²	123	125.6 Å²	125.6	76%	0.755	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-96.1	122	165.1	-56.2	0	0	0	0	108.8	I339	T337-I339 HydrophobicContact CG2-CG1 4.42Å
338	V	28	Very low	29.4	Very low	114 Å²	114	129.9 Å²	129.9	69%	0.691	78%	0.775	S	S	*	*			trans	-112.4	122.9	174.5	-179.9	0	0	0	0	108.4
339	I	30.9	Very low	29.6	Very low	139 Å²	139	132.3 Å²	132.3	71%	0.713	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-100.9	117.6	179.1	-57.2	174.9	0	0	0	108.3	T337 N341	T337-I339 HydrophobicContact CG2-CG1 4.42Å; I339-N341 PolarHBondContact O-N 3.24Å
340	P	33	Very low	29.8	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-71.8	122.2	171	-14.3	30	0	0	0	110.1
341	N	33.4	Very low	30	Very low	111 Å²	111	138.4 Å²	138.4	59%	0.594	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-88.1	126.9	171.9	-176.4	55.1	0	0	0	109.4	I339 T343	I339-N341 PolarHBondContact O-N 3.24Å; N341-T343 PolarHBondContact ND2-O 3.26Å; N341-T343 VanDerWaalsContact ND2-O 3.15Å; N341-T343 PolarHBondContact ND2-OG1 3.35Å; N341-T343 PolarHBondContact O-N 3.47Å; N341-T343 VanDerWaalsContact O-N 3.14Å
342	P	34.3	Very low	30.1	Very low	129 Å²	129	137.8 Å²	137.8	84%	0.838	77%	0.772	S	S	*	*	S	Bend	trans	-73.5	-1.9	-172.8	28.8	-36.1	0	0	0	115
343	T	34.6	Very low	30.3	Very low	92 Å²	92	137.8 Å²	137.8	56%	0.564	77%	0.771	S	S	*	*	S	Bend	trans	-107.5	120.7	172	46.8	0	0	0	0	110.7	N341 T345	N341-T343 PolarHBondContact ND2-O 3.26Å; N341-T343 VanDerWaalsContact ND2-O 3.15Å; N341-T343 PolarHBondContact ND2-OG1 3.35Å; N341-T343 PolarHBondContact O-N 3.47Å; N341-T343 VanDerWaalsContact O-N 3.14Å; T343-T345 PolarHBondContact O-N 2.88Å
344	G	30.5	Very low	30.2	Very low	83 Å²	83	136.6 Å²	136.6	86%	0.856	77%	0.773	S	S	*	*			trans	-76.9	85.5	-170.2	0	0	0	0	0	114.6
345	T	31.6	Very low	30.5	Very low	120 Å²	120	136.3 Å²	136.3	74%	0.736	77%	0.774	S	S	*	*	S	Bend	trans	-155.2	122.4	163.2	2.7	0	0	0	0	112.4	T343	T343-T345 PolarHBondContact O-N 2.88Å
346	Q	30.6	Very low	30.6	Very low	189 Å²	189	139.1 Å²	139.1	88%	0.883	78%	0.778	S	S	*	*			trans	28.5	100.7	167.4	-59.8	-169.3	24	0	0	119.2	K348	Q346-K348 PolarHBondContact O-N 3.48Å
347	T	28.8	Very low	30.5	Very low	131 Å²	131	137.7 Å²	137.7	80%	0.804	78%	0.781	S	S	*	*			trans	-69.9	113.6	170.8	-47	0	0	0	0	112.4
348	K	29.1	Very low	30.7	Very low	189 Å²	189	137.9 Å²	137.9	82%	0.822	78%	0.784	S	S	*	*			trans	-75.8	129.1	169.9	-91.8	-178.6	173.8	176.1	0	111.6	Q346	Q346-K348 PolarHBondContact O-N 3.48Å
349	I	30.6	Very low	30.9	Very low	157 Å²	157	142.3 Å²	142.3	81%	0.805	79%	0.794	S	S	*	*			trans	-82.4	115.4	170.1	-58.1	173.9	0	0	0	108.9	R351	I349-R351 HydrophobicContact CG2-CG 4.48Å
350	I	30.4	Very low	30.7	Very low	152 Å²	152	142.8 Å²	142.8	78%	0.779	80%	0.803	S	S	*	*			trans	-106.6	118.4	172.1	-58.2	178.5	0	0	0	108.3
351	R	29.9	Very low	30.4	Very low	220 Å²	220	140.1 Å²	140.1	83%	0.83	80%	0.797	S	S	*	*			trans	-94.8	127.9	174.3	-64.4	-179.2	-178.5	175.6	0.6	109.7	I349 S353	I349-R351 HydrophobicContact CG2-CG 4.48Å; R351-S353 PolarHBondContact O-N 2.83Å
352	P	30.2	Very low	30.3	Very low	120 Å²	120	143.5 Å²	143.5	78%	0.779	81%	0.814	S	S	*	*			trans	-67	126.5	161.5	-15.5	30.2	0	0	0	109.5
353	S	28.5	Very low	30	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	81%	0.813	S	S	*	*			trans	-88.8	112.4	179.8	52.3	0	0	0	0	111.6	R351	R351-S353 PolarHBondContact O-N 2.83Å
354	L	29.3	Very low	29.9	Very low	170 Å²	170	145.8 Å²	145.8	89%	0.89	82%	0.82	S	S	*	*			trans	-84.8	114.2	164.1	-93.2	74.7	0	0	0	109.9	Q356	L354-Q356 PolarHBondContact O-N 3.5Å
355	S	32.9	Very low	29.7	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	82%	0.816	S	S	*	*			trans	-86.4	97.1	174.5	54.3	0	0	0	0	111.7
356	Q	30.8	Very low	29.4	Very low	192 Å²	192	148.1 Å²	148.1	90%	0.897	82%	0.817	S	S	*	*			trans	44.6	124.8	146.5	-56.7	-177.5	6.2	0	0	120.2	L354	L354-Q356 PolarHBondContact O-N 3.5Å
357	S	25.1	Very low	29.4	Very low	116 Å²	116	146.6 Å²	146.6	81%	0.811	81%	0.81	S	S	*	*			trans	-120.6	132.1	156.9	-177.8	0	0	0	0	109.2
358	P	32.5	Very low	29.4	Very low	127 Å²	127	146 Å²	146	83%	0.825	80%	0.801	S	S	*	*			trans	-83.7	125.4	-171.7	30.7	-33.6	0	0	0	114.5
359	K	31.9	Very low	29.3	Very low	207 Å²	207	144.7 Å²	144.7	90%	0.9	80%	0.798	S	S	*	*			trans	-9.9	143.9	161.9	-96.1	174.7	169	179.3	0	120.9
360	V	27	Very low	29.3	Very low	150 Å²	150	142.8 Å²	142.8	91%	0.909	79%	0.794	S	S	*	*			trans	-86.1	150.7	158.5	175.2	0	0	0	0	110.8
361	G	25.9	Very low	29.1	Very low	62 Å²	62	146.7 Å²	146.7	64%	0.639	80%	0.799	S	S	*	*			trans	167.1	120.3	157.6	0	0	0	0	0	118.6
362	L	31.2	Very low	29	Very low	182 Å²	182	140.7 Å²	140.7	95%	0.953	79%	0.791	S	S	*	*			trans	79.6	146	150.7	-64	157.2	0	0	0	120.9
363	I	29.1	Very low	29	Very low	156 Å²	156	141.8 Å²	141.8	80%	0.8	79%	0.79	S	S	*	*			trans	-131.6	152.6	175.8	-19.3	175.8	0	0	0	106.1
364	P	31.8	Very low	29.1	Very low	112 Å²	112	142.7 Å²	142.7	73%	0.727	79%	0.791	S	S	*	*				-149.2	167.5	86.2	38.2	-20	0	0	0	116.2
365	N	26.5	Very low	29.3	Very low	143 Å²	143	139.9 Å²	139.9	77%	0.765	78%	0.782	S	S	*	*			trans	16.5	128.5	153.8	-55.4	-12.7	0	0	0	118.7
366	S	26.4	Very low	29.2	Very low	109 Å²	109	141.4 Å²	141.4	76%	0.762	79%	0.787	S	S	*	*				-179.2	146.6	84.2	-78	0	0	0	0	115.4
367	Q	28.8	Very low	28.9	Very low	157 Å²	157	138.2 Å²	138.2	73%	0.734	78%	0.78	S	S	*	*			trans	69	121.5	141.5	-64.9	-72.4	39.1	0	0	123.3
368	L	28.9	Very low	29.2	Very low	119 Å²	119	141.9 Å²	141.9	62%	0.623	79%	0.785	S	S	*	*			trans	74.7	115.9	137.2	-58.9	167.9	0	0	0	122.8
369	Q	28.8	Very low	29	Very low	162 Å²	162	143.7 Å²	143.7	76%	0.757	78%	0.782	S	S	*	*				66.9	143	128.1	-64.6	172.4	-17.8	0	0	119.3
370	T	30.6	Very low	28.9	Very low	117 Å²	117	143.5 Å²	143.5	72%	0.718	78%	0.777	S	S	*	*			cis	-154.5	164.4	10.1	-12.2	0	0	0	0	113.1
371	R	26.2	Very low	28.9	Very low	233 Å²	233	144.5 Å²	144.5	88%	0.879	77%	0.772	S	S	*	*			trans	3.1	154.1	144.5	-78.5	-177.2	161.8	-169.8	-5.4	120.3
372	S	27	Very low	29.1	Very low	94 Å²	94	147.3 Å²	147.3	66%	0.657	78%	0.779	S	S	*	*			cis	-178.5	-179.2	-8.9	-169.1	0	0	0	0	110.4
373	N	30.6	Very low	28.9	Very low	144 Å²	144	150.3 Å²	150.3	77%	0.77	78%	0.778	S	S	*	*			trans	84	84	156.1	-61.1	5.9	0	0	0	120.9
374	V	30.1	Very low	29	Very low	134 Å²	134	148.2 Å²	148.2	81%	0.812	77%	0.774	S	S	*	*				-17.8	154.3	122.2	-176.6	0	0	0	0	116
375	P	34	Very low	28.7	Very low	110 Å²	110	149.1 Å²	149.1	71%	0.714	78%	0.778	S	S	*	*			cis	-127.9	-175.6	-19.2	38	-22	0	0	0	114.1
376	V	29.2	Very low	28.9	Very low	143 Å²	143	150.6 Å²	150.6	87%	0.867	78%	0.784	S	S	*	*				-164.3	152.1	124.2	134.7	0	0	0	0	110.8
377	T	26.5	Very low	28.9	Very low	125 Å²	125	153.6 Å²	153.6	77%	0.767	79%	0.786	S	S	*	*			trans	-98.3	146.4	-175.4	47	0	0	0	0	113.8
378	Q	31.5	Very low	28.8	Very low	194 Å²	194	150.7 Å²	150.7	91%	0.907	78%	0.783	S	S	*	*			trans	-160.8	166	130.3	-115.4	173.3	96.5	0	0	112.9
379	Q	28.2	Very low	28.7	Very low	164 Å²	164	152.2 Å²	152.2	77%	0.766	79%	0.792	S	S	*	*			trans	-88.1	155.2	-168.6	-62.8	158.9	-76.6	0	0	110.7
380	Y	28.8	Very low	28.8	Very low	204 Å²	204	150.2 Å²	150.2	80%	0.8	79%	0.793	S	S	*	*				-153.5	117.8	72.7	-110.7	-92	0	0	0	115.5
381	Q	28	Very low	28.8	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	79%	0.79	S	S	*	*			trans	37.9	119.8	145.1	-148.7	156.8	18	0	0	122.4
382	P	28.9	Very low	29	Very low	122 Å²	122	144.7 Å²	144.7	79%	0.792	79%	0.787	S	S	*	*			trans	-108.8	165.4	177.3	40.6	-34.5	0	0	0	115.2
383	R	27.4	Very low	29.2	Very low	244 Å²	244	145.7 Å²	145.7	92%	0.921	79%	0.789	S	S	*	*			trans	-157.3	165.6	150	-115.2	-159.9	156.2	145.5	-2.8	110.9
384	P	30.6	Very low	29.1	Very low	112 Å²	112	147 Å²	147	73%	0.727	80%	0.795	S	S	*	*				-123.5	162.8	-115.4	38.4	-23.3	0	0	0	116.3
385	T	26.6	Very low	29.1	Very low	132 Å²	132	145.3 Å²	145.3	81%	0.81	79%	0.789	S	S	*	*			trans	-61.9	149	168.6	-21	0	0	0	0	112.8
386	I	29.9	Very low	28.8	Very low	174 Å²	174	148.6 Å²	148.6	89%	0.892	79%	0.792	S	S	*	*			trans	-158.2	154.8	142.4	-109	157	0	0	0	111.7
387	Q	27.1	Very low	28.8	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	79%	0.792	S	S	*	*			trans	-95.6	149.9	-163.1	-133.9	162.6	-56.3	0	0	113.5
388	S	25.4	Very low	28.9	Very low	95 Å²	95	149.1 Å²	149.1	66%	0.664	79%	0.785	S	S	*	*			trans	40.2	113.8	145.2	59.9	0	0	0	0	121.6
389	N	28.4	Very low	28.6	Very low	151 Å²	151	145.4 Å²	145.4	81%	0.807	78%	0.781	S	S	*	*				-170	139	122.5	-112.3	-18.1	0	0	0	112.7
390	P	29.7	Very low	28.6	Very low	121 Å²	121	146.3 Å²	146.3	79%	0.786	78%	0.783	S	S	*	*			trans	-91.6	130.9	169.9	34	-29.8	0	0	0	111.5
391	T	31.6	Very low	28.5	Very low	108 Å²	108	140.9 Å²	140.9	66%	0.663	78%	0.78	S	S	*	*			trans	-140.1	125.8	176.4	-54.2	0	0	0	0	110.2	V393	T391-V393 PolarHBondContact O-N 3.39Å
392	P	30.2	Very low	28.5	Very low	125 Å²	125	142.5 Å²	142.5	81%	0.812	79%	0.787	S	S	*	*			trans	-75.2	123.6	176.3	30.1	-32.6	0	0	0	110.5
393	V	30.7	Very low	28.5	Very low	116 Å²	116	140.4 Å²	140.4	70%	0.703	79%	0.788	S	S	*	*			trans	-98.9	116.5	-178.8	178.8	0	0	0	0	110.6	T391	T391-V393 PolarHBondContact O-N 3.39Å
394	I	27.8	Very low	28.3	Very low	172 Å²	172	137.6 Å²	137.6	88%	0.882	79%	0.786	S	S	*	*			trans	-93.7	105.4	164.8	-64.2	170.3	0	0	0	107.6
395	S	31.2	Very low	28.2	Very low	98 Å²	98	140.2 Å²	140.2	69%	0.685	79%	0.792	S	S	*	*			trans	-84.5	135.7	-179	-75.6	0	0	0	0	112.8
396	K	27.2	Very low	28.1	Very low	178 Å²	178	141.8 Å²	141.8	77%	0.774	79%	0.791	S	S	*	*			trans	-59.7	150.8	165.1	-66.7	-178.3	170.9	-168	0	111.3
397	V	28.4	Very low	28.1	Very low	143 Å²	143	140.9 Å²	140.9	87%	0.867	79%	0.786	S	S	*	*			trans	-128.5	126.3	144.5	-178.8	0	0	0	0	107.1
398	Q	28.5	Very low	28.1	Very low	136 Å²	136	137.1 Å²	137.1	64%	0.636	78%	0.779	S	S	*	*			trans	-121.4	122.3	177.7	-179.7	171.9	-9.1	0	0	106.3
399	S	26.1	Very low	28.4	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	78%	0.781	S	S	*	*			trans	-80.1	133.6	179.5	39.5	0	0	0	0	111.3
400	F	28.7	Very low	28.5	Very low	184 Å²	184	140.3 Å²	140.3	81%	0.807	78%	0.78	S	S	*	*			trans	-104.4	153.7	158.3	-81.2	-90.4	0	0	0	109.2
401	A	26.2	Very low	28.6	Very low	89 Å²	89	139.9 Å²	139.9	74%	0.736	77%	0.771	S	S	*	*			trans	-111.6	-172.9	174.4	0	0	0	0	0	110.6
402	Q	27.4	Very low	28.7	Very low	204 Å²	204	141 Å²	141	95%	0.953	77%	0.773	S	S	*	*			trans	71.1	148.6	179.2	-57.6	176.2	-13.9	0	0	115.6
403	G	29.2	Very low	28.6	Very low	79 Å²	79	141 Å²	141	81%	0.814	77%	0.766	S	S	*	*			trans	126.8	67.7	-174.2	0	0	0	0	0	113.5
404	E	23.9	Very low	28.7	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.864	77%	0.773	S	S	*	*			trans	-72.5	147.2	163.1	-69.7	-174.9	94.4	0	0	110.9
405	L	28	Very low	28.8	Very low	166 Å²	166	140.6 Å²	140.6	87%	0.869	77%	0.767	S	S	*	*				-168.9	163.5	125.6	-104.9	164.9	0	0	0	111.5
406	Q	24.7	Very low	28.9	Very low	166 Å²	166	144.2 Å²	144.2	78%	0.776	77%	0.773	S	S	*	*			trans	-76.2	171.2	-177.6	-63	162.2	13	0	0	109.6
407	I	30.2	Very low	28.9	Very low	154 Å²	154	141 Å²	141	79%	0.79	77%	0.769	S	S	*	*				-161	139.1	55.3	-70.8	167	0	0	0	110.3
408	S	27.4	Very low	28.9	Very low	93 Å²	93	139.2 Å²	139.2	65%	0.65	76%	0.762	S	S	*	*			trans	-1.5	156.7	140.7	-73.6	0	0	0	0	120.8
409	D	30.4	Very low	28.9	Very low	133 Å²	133	139.1 Å²	139.1	71%	0.711	77%	0.771	S	S	*	*			cis	-174.2	175.9	-8.6	-118.8	-54.5	0	0	0	110.8
410	K	31.2	Very low	28.9	Very low	181 Å²	181	139.3 Å²	139.3	79%	0.787	77%	0.768	S	S	*	*			trans	68.7	153.4	149	-81.2	-175	169.7	-179.1	0	120.4
411	D	32	Very low	28.9	Very low	111 Å²	111	134.9 Å²	134.9	59%	0.594	76%	0.76	S	S	*	*			cis	-166.8	-179.5	-28.4	-139.2	-30.4	0	0	0	111
412	N	33.5	Very low	29	Very low	132 Å²	132	137.8 Å²	137.8	71%	0.706	76%	0.763	S	S	*	*			trans	87.6	122.6	163.9	-57.1	-53.5	0	0	0	117.5
413	N	27.6	Very low	29.2	Very low	125 Å²	125	134.5 Å²	134.5	67%	0.668	76%	0.757	S	S	*	*			cis	98.4	106.6	31.9	-73.6	-44	0	0	0	113.1
414	L	32.2	Very low	29.2	Very low	163 Å²	163	134.3 Å²	134.3	85%	0.853	75%	0.747	S	S	*	*			trans	-162.9	124	138.4	-139.6	73.4	0	0	0	111.3
415	P	31.7	Very low	29.7	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	74%	0.742	S	S	*	*			trans	-126.8	111.7	175.8	35.7	-20.2	0	0	0	114
416	E	33.1	Very low	29.7	Very low	174 Å²	174	128.8 Å²	128.8	81%	0.813	73%	0.734	S	S	*	*			trans	-150	151.5	176.1	-79	-166.9	163.1	0	0	109.3
417	T	27.3	Very low	30.1	Very low	111 Å²	111	126.5 Å²	126.5	68%	0.681	73%	0.731	S	S	*	*			cis	-173.6	134.2	-35.2	15	0	0	0	0	106.5
418	S	27.1	Very low	30.1	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	73%	0.731	S	S	*	*			trans	73.2	152	145.1	-53	0	0	0	0	123
419	T	29.8	Very low	30.3	Very low	134 Å²	134	126.7 Å²	126.7	82%	0.822	74%	0.741	S	S	*	*			trans	80.3	131.1	154.7	-30.4	0	0	0	0	116.7
420	T	25.4	Very low	30.2	Very low	121 Å²	121	126.2 Å²	126.2	74%	0.742	74%	0.743	S	S	*	*			cis	161.9	158.9	-23.2	-88.5	0	0	0	0	105.7
421	S	29.4	Very low	30	Very low	91 Å²	91	123.8 Å²	123.8	64%	0.636	74%	0.744	S	S	*	*			trans	91.5	114.9	163.9	76.2	0	0	0	0	120.2
422	N	28	Very low	30	Very low	150 Å²	150	124.4 Å²	124.4	80%	0.802	76%	0.757	S	S	*	*				56.7	140.7	119.9	-47.5	-12.6	0	0	0	119.2
423	T	31.7	Very low	29.7	Very low	135 Å²	135	123.6 Å²	123.6	83%	0.828	75%	0.752	S	S	*	*				-161.2	171.8	53.4	-57.5	0	0	0	0	112.8
424	A	29.8	Very low	29.8	Very low	74 Å²	74	126.1 Å²	126.1	61%	0.612	76%	0.757	S	S	*	*			trans	-43.3	167.5	175.4	0	0	0	0	0	116.3
425	T	34.3	Very low	29.6	Very low	122 Å²	122	128.7 Å²	128.7	75%	0.748	76%	0.761	S	S	*	*			cis	-161.4	137.8	46.6	-29.7	0	0	0	0	108.6
426	T	27	Very low	29.4	Very low	114 Å²	114	126.7 Å²	126.7	70%	0.699	76%	0.762	S	S	*	*				44.3	133.3	77	0.7	0	0	0	0	112.7
427	T	33.7	Very low	29.5	Very low	118 Å²	118	121.9 Å²	121.9	72%	0.724	76%	0.759	S	S	*	*			cis	-149.9	142.2	35.5	39	0	0	0	0	115.9
428	T	28.9	Very low	30	Very low	129 Å²	129	125.7 Å²	125.7	79%	0.791	77%	0.769	S	S	*	*			trans	10.1	134.1	143.7	57.2	0	0	0	0	122.3
429	S	32.1	Very low	31.1	Very low	122 Å²	122	126.9 Å²	126.9	85%	0.853	77%	0.772	S	S	*	*			trans	-145	161	133.4	61.3	0	0	0	0	110.1
430	T	27.8	Very low	32.7	Very low	122 Å²	122	123.4 Å²	123.4	75%	0.748	75%	0.745	S	S	*	*			trans	-137.6	151.8	-159.5	5.7	0	0	0	0	114.2
431	T	28.1	Very low	35.1	Very low	131 Å²	131	120.8 Å²	120.8	80%	0.804	73%	0.732	S	S	*	*			trans	51.7	115.1	153.7	54.6	0	0	0	0	120
432	S	30.6	Very low	37.5	Very low	124 Å²	124	121.1 Å²	121.1	87%	0.867	73%	0.734	S	S	*	*				-170	150.7	122.2	48.3	0	0	0	0	113.5
433	N	27.8	Very low	40.1	Very low	114 Å²	114	120 Å²	120	61%	0.61	72%	0.724	S	S	*	*			trans	-66	140.6	-165.4	-60.4	-47.3	0	0	0	116.8	D638	N433-D638 VanDerWaalsContact ND2-CG 3.35Å; N433-D638 PolarHBondContact ND2-OD1 3.23Å; N433-D638 PolarHBondContact ND2-OD2 2.79Å
434	K	30.3	Very low	42.6	Very low	179 Å²	179	116.1 Å²	116.1	78%	0.778	70%	0.7	S	S	*	*			trans	-158	148.2	138.9	-128.3	165.1	-174.5	170	0	113.3	G436	K434-G436 PolarHBondContact O-N 2.9Å
435	K	27.1	Very low	45.1	Very low	216 Å²	216	115.6 Å²	115.6	94%	0.939	69%	0.685	S	S	*	*			trans	-65.5	127.7	172.2	-68.4	175.7	178.6	173.7	0	110.1
436	G	29	Very low	47.5	Very low	75 Å²	75	112.6 Å²	112.6	77%	0.773	67%	0.672	S	S	*	*			trans	-148	124.6	165	0	0	0	0	0	108.6	K434	K434-G436 PolarHBondContact O-N 2.9Å
437	G	35.1	Very low	50.3	Low	72 Å²	72	111.1 Å²	111.1	74%	0.742	66%	0.657	S	S	*	*			trans	-79.6	143.2	173	0	0	0	0	0	110.2	V439	G437-V439 PolarHBondContact O-N 3.2Å
438	E	37.5	Very low	52.8	Low	192 Å²	192	105.5 Å²	105.5	90%	0.897	62%	0.623	S	S	*	*			trans	-60.5	112.4	168.4	-75.6	-173.7	113.2	0	0	109.4	K440	E438-K440 PolarHBondContact O-N 2.96Å
439	V	50.7	Low	55.7	Low	130 Å²	130	100.6 Å²	100.6	79%	0.788	59%	0.593	S	S	*	*			trans	-69.9	98.2	172.7	-178.7	0	0	0	0	107.3	G437 S441	G437-V439 PolarHBondContact O-N 3.2Å; V439-S441 PolarHBondContact O-N 3.48Å
440	K	63.3	Low	58.4	Low	61 Å²	61	97.9 Å²	97.9	27%	0.265	57%	0.574	S	S	.	*			trans	-47.6	133	172.2	-63.1	169	-169.7	166.8	0	108.4	E438 S442 Q445 I448 L497 N498 L500	E438-K440 PolarHBondContact O-N 2.96Å; K440-S442 PolarHBondContact O-N 2.88Å; K440-Q445 HydrophobicContact CB-CG 3.92Å; K440-Q445 PolarHBondContact O-NE2 3.29Å; K440-I448 HydrophobicContact CD-CD1 4.4Å; K440-L497 PolarHBondContact NZ-O 2.8Å; K440-N498 PolarHBondContact NZ-O 3.46Å; K440-N498 VanDerWaalsContact NZ-O 3.14Å; K440-L500 PolarHBondContact NZ-O 3.42Å
441	S	75.4	Confident	61.3	Low	66 Å²	66	92.9 Å²	92.9	46%	0.462	55%	0.547	S	S	.	.			trans	-48.3	141.6	176.8	175.2	0	0	0	0	110.6	V439 E443 V444 Q445	V439-S441 PolarHBondContact O-N 3.48Å; S441-E443 PolarHBondContact O-N 3.26Å; S441-E443 VanDerWaalsContact O-N 3.15Å; S441-V444 WeakPolarHBondContact O-CA 3.35Å; S441-V444 WeakPolarHBondContact O-CB 3.43Å; S441-V444 PolarHBondContact O-N 2.91Å; S441-Q445 PolarHBondContact O-N 3.26Å
442	S	79.1	Confident	64.2	Low	97 Å²	97	86.7 Å²	86.7	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-55.3	-33.3	-180	49.5	0	0	0	0	112.3	K440 Q445 A446	K440-S442 PolarHBondContact O-N 2.88Å; S442-Q445 PolarHBondContact O-N 2.83Å; S442-A446 WeakPolarHBondContact O-CB 3.36Å; S442-A446 PolarHBondContact O-N 3.49Å
443	E	83	Confident	67	Low	126 Å²	126	83.2 Å²	83.2	59%	0.589	48%	0.483	S	S	*	.	H	α-helix	trans	-63.3	-44.8	172.4	-168.3	-172	167.9	0	0	112.2	S441 Q445 A446 Q447	S441-E443 PolarHBondContact O-N 3.26Å; S441-E443 VanDerWaalsContact O-N 3.15Å; E443-Q445 VanDerWaalsContact C-N 3.34Å; E443-Q445 PolarHBondContact O-N 3.5Å; E443-A446 PolarHBondContact O-N 3.16Å; E443-Q447 WeakPolarHBondContact O-CB 3.29Å; E443-Q447 VanDerWaalsContact O-CG 3.29Å; E443-Q447 WeakPolarHBondContact O-CG 3.23Å; E443-Q447 PolarHBondContact O-N 2.86Å; E443-Q447 PolarHBondContact OE1-NE2 3.09Å
444	V	83.1	Confident	70	Confident	54 Å²	54	81.6 Å²	81.6	33%	0.327	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-36.8	177	176.5	0	0	0	0	110.9	S441 Q447 I448	S441-V444 WeakPolarHBondContact O-CA 3.35Å; S441-V444 WeakPolarHBondContact O-CB 3.43Å; S441-V444 PolarHBondContact O-N 2.91Å; V444-Q447 PolarHBondContact O-N 3.24Å; V444-I448 HydrophobicContact CG1-CD1 3.96Å; V444-I448 WeakPolarHBondContact O-CD1 3.49Å; V444-I448 VanDerWaalsContact O-CG1 3.24Å; V444-I448 WeakPolarHBondContact O-CG1 3.44Å; V444-I448 PolarHBondContact O-N 3.24Å
445	Q	82.8	Confident	72.9	Confident	63 Å²	63	73.3 Å²	73.3	29%	0.294	44%	0.438	S	S	.	.	H	α-helix	trans	-63.6	-46.3	172.7	-62.9	-173.5	34.8	0	0	111.2	K440 S441 S442 E443 Q447 I448 V449 L497	K440-Q445 HydrophobicContact CB-CG 3.92Å; K440-Q445 PolarHBondContact O-NE2 3.29Å; S441-Q445 PolarHBondContact O-N 3.26Å; S442-Q445 PolarHBondContact O-N 2.83Å; E443-Q445 VanDerWaalsContact C-N 3.34Å; E443-Q445 PolarHBondContact O-N 3.5Å; Q445-Q447 PolarHBondContact O-N 2.94Å; Q445-I448 PolarHBondContact O-N 2.9Å; Q445-V449 WeakPolarHBondContact O-CG2 3.45Å; Q445-V449 PolarHBondContact O-N 3.46Å; Q445-L497 HydrophobicContact CB-CD1 4.3Å; Q445-L497 HydrophobicContact CB-CD2 3.8Å; Q445-L497 HydrophobicContact CG-CD2 4.13Å
446	A	85.2	Confident	76	Confident	59 Å²	59	63.5 Å²	63.5	49%	0.488	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-40.8	176.8	0	0	0	0	0	112.4	S442 E443 I448 V449 S450	S442-A446 WeakPolarHBondContact O-CB 3.36Å; S442-A446 PolarHBondContact O-N 3.49Å; E443-A446 PolarHBondContact O-N 3.16Å; A446-I448 VanDerWaalsContact C-N 3.35Å; A446-I448 PolarHBondContact O-N 2.96Å; A446-V449 PolarHBondContact O-N 3.44Å; A446-S450 WeakPolarHBondContact O-CB 3.19Å; A446-S450 PolarHBondContact O-N 2.96Å
447	Q	86.4	Confident	78.9	Confident	83 Å²	83	66 Å²	66	39%	0.388	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-38.5	174	-72.1	174.1	16.4	0	0	112.1	E443 V444 Q445 G451 F502	E443-Q447 WeakPolarHBondContact O-CB 3.29Å; E443-Q447 VanDerWaalsContact O-CG 3.29Å; E443-Q447 WeakPolarHBondContact O-CG 3.23Å; E443-Q447 PolarHBondContact O-N 2.86Å; E443-Q447 PolarHBondContact OE1-NE2 3.09Å; V444-Q447 PolarHBondContact O-N 3.24Å; Q445-Q447 PolarHBondContact O-N 2.94Å; Q447-G451 PolarHBondContact O-N 3.47Å; Q447-F502 HydrophobicContact CB-CD2 4.26Å; Q447-F502 HydrophobicContact CB-CE2 4.05Å
448	I	86.5	Confident	81.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-67.9	-45.4	175.1	-68.8	163.8	0	0	0	111.2	K440 V444 Q445 A446 G451 L452 L497 L500 F502	K440-I448 HydrophobicContact CD-CD1 4.4Å; V444-I448 HydrophobicContact CG1-CD1 3.96Å; V444-I448 WeakPolarHBondContact O-CD1 3.49Å; V444-I448 VanDerWaalsContact O-CG1 3.24Å; V444-I448 WeakPolarHBondContact O-CG1 3.44Å; V444-I448 PolarHBondContact O-N 3.24Å; Q445-I448 PolarHBondContact O-N 2.9Å; A446-I448 VanDerWaalsContact C-N 3.35Å; A446-I448 PolarHBondContact O-N 2.96Å; I448-G451 PolarHBondContact O-N 2.85Å; I448-L452 HydrophobicContact CG2-CD1 4Å; I448-L452 HydrophobicContact CG2-CG 4.47Å; I448-L452 WeakPolarHBondContact O-CB 3.1Å; I448-L452 WeakPolarHBondContact O-CG 3.28Å; I448-L452 PolarHBondContact O-N 3.18Å; I448-L497 HydrophobicContact CB-CD2 4.09Å; I448-L497 HydrophobicContact CG2-CD2 3.98Å; I448-L500 HydrophobicContact CG2-CB 4.48Å; I448-F502 HydrophobicContact CD1-CB 4.4Å; I448-F502 HydrophobicContact CG1-CB 4.08Å; I448-F502 HydrophobicContact CG1-CD2 4.16Å
449	V	88.6	Confident	84.3	Confident	27 Å²	27	59.3 Å²	59.3	16%	0.164	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-43.5	178.3	173	0	0	0	0	111.5	Q445 A446 L452 T453 P493 E494 L497	Q445-V449 WeakPolarHBondContact O-CG2 3.45Å; Q445-V449 PolarHBondContact O-N 3.46Å; A446-V449 PolarHBondContact O-N 3.44Å; V449-L452 PolarHBondContact O-N 2.92Å; V449-T453 VanDerWaalsContact O-CB 3.31Å; V449-T453 WeakPolarHBondContact O-CB 3.3Å; V449-T453 PolarHBondContact O-N 3.24Å; V449-T453 PolarHBondContact O-OG1 2.83Å; V449-P493 HydrophobicContact CG1-CB 4.45Å; V449-P493 HydrophobicContact CG1-CG 4.35Å; V449-E494 HydrophobicContact CG1-CG 4.18Å; V449-E494 HydrophobicContact CG2-CG 4.03Å; V449-L497 HydrophobicContact CG2-CD1 3.87Å; V449-L497 HydrophobicContact CG2-CD2 3.91Å; V449-L497 HydrophobicContact CG2-CG 3.93Å
450	S	88.3	Confident	86.2	Confident	64 Å²	64	54.8 Å²	54.8	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-51.2	174.5	-165.2	0	0	0	0	110.7	A446 L452 T453 D454	A446-S450 WeakPolarHBondContact O-CB 3.19Å; A446-S450 PolarHBondContact O-N 2.96Å; S450-L452 PolarHBondContact O-N 3.06Å; S450-T453 WeakPolarHBondContact O-CA 3.4Å; S450-T453 WeakPolarHBondContact O-CB 3.28Å; S450-T453 PolarHBondContact O-N 2.99Å; S450-D454 PolarHBondContact O-N 3.5Å; S450-D454 VanDerWaalsContact O-OD2 3.13Å; S450-D454 PolarHBondContact OG-OD2 3.13Å
451	G	90.1	Very high	87.6	Confident	18 Å²	18	55.8 Å²	55.8	19%	0.186	32%	0.323	C	S	.	.	H	α-helix	trans	-58.8	-42.4	179.5	0	0	0	0	0	113.4	Q447 I448 I455	Q447-G451 PolarHBondContact O-N 3.47Å; I448-G451 PolarHBondContact O-N 2.85Å; G451-I455 WeakPolarHBondContact O-CB 3.44Å; G451-I455 WeakPolarHBondContact O-CD1 3.23Å; G451-I455 WeakPolarHBondContact O-CG1 3.47Å; G451-I455 PolarHBondContact O-N 2.85Å
452	L	89.2	Confident	88.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-37.9	173.6	-70.7	172.7	0	0	0	112.4	I448 V449 S450 I455 A456 I489 P493 L500 L505 I508	I448-L452 HydrophobicContact CG2-CD1 4Å; I448-L452 HydrophobicContact CG2-CG 4.47Å; I448-L452 WeakPolarHBondContact O-CB 3.1Å; I448-L452 WeakPolarHBondContact O-CG 3.28Å; I448-L452 PolarHBondContact O-N 3.18Å; V449-L452 PolarHBondContact O-N 2.92Å; S450-L452 PolarHBondContact O-N 3.06Å; L452-I455 PolarHBondContact O-N 3.24Å; L452-A456 VanDerWaalsContact O-CB 3.27Å; L452-A456 WeakPolarHBondContact O-CB 3.42Å; L452-A456 PolarHBondContact O-N 3.34Å; L452-I489 HydrophobicContact CD2-CG2 4.23Å; L452-P493 HydrophobicContact CB-CB 3.62Å; L452-P493 HydrophobicContact CD1-CB 3.83Å; L452-P493 HydrophobicContact CG-CB 4.39Å; L452-L500 HydrophobicContact CD1-CD1 3.68Å; L452-L500 HydrophobicContact CD2-CD1 4.08Å; L452-L500 HydrophobicContact CG-CD1 4.5Å; L452-L505 HydrophobicContact CD2-CD2 3.57Å; L452-L505 HydrophobicContact CG-CD2 3.69Å; L452-I508 HydrophobicContact CD2-CD1 4.43Å
453	T	89.6	Confident	88.9	Confident	52 Å²	52	49.2 Å²	49.2	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-43.5	177.5	-57.2	0	0	0	0	111.2	V449 S450 I455 A456 N457	V449-T453 VanDerWaalsContact O-CB 3.31Å; V449-T453 WeakPolarHBondContact O-CB 3.3Å; V449-T453 PolarHBondContact O-N 3.24Å; V449-T453 PolarHBondContact O-OG1 2.83Å; S450-T453 WeakPolarHBondContact O-CA 3.4Å; S450-T453 WeakPolarHBondContact O-CB 3.28Å; S450-T453 PolarHBondContact O-N 2.99Å; T453-I455 VanDerWaalsContact C-N 3.3Å; T453-I455 PolarHBondContact O-N 3.45Å; T453-A456 PolarHBondContact O-N 2.86Å; T453-N457 WeakPolarHBondContact O-CB 3.36Å; T453-N457 VanDerWaalsContact O-CG 3.26Å; T453-N457 PolarHBondContact O-N 3.15Å; T453-N457 PolarHBondContact O-ND2 2.85Å; T453-N457 VanDerWaalsContact O-ND2 3.17Å
454	D	90.4	Very high	89.4	Confident	80 Å²	80	47.3 Å²	47.3	43%	0.428	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-28	176.8	-68	-41.4	0	0	0	112.7	S450 R458	S450-D454 PolarHBondContact O-N 3.5Å; S450-D454 VanDerWaalsContact O-OD2 3.13Å; S450-D454 PolarHBondContact OG-OD2 3.13Å; D454-R458 PolarHBondContact O-NE 2.76Å
455	I	91.1	Very high	89.8	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-76	-44.3	169.9	-68.3	166.8	0	0	0	110.5	G451 L452 T453 N457 R458 Y459 L490 L505 I508 E509 L512	G451-I455 WeakPolarHBondContact O-CB 3.44Å; G451-I455 WeakPolarHBondContact O-CD1 3.23Å; G451-I455 WeakPolarHBondContact O-CG1 3.47Å; G451-I455 PolarHBondContact O-N 2.85Å; L452-I455 PolarHBondContact O-N 3.24Å; T453-I455 VanDerWaalsContact C-N 3.3Å; T453-I455 PolarHBondContact O-N 3.45Å; I455-N457 PolarHBondContact O-N 2.83Å; I455-R458 PolarHBondContact O-N 3Å; I455-R458 VanDerWaalsContact O-N 3.12Å; I455-Y459 HydrophobicContact CG2-CD2 4Å; I455-Y459 WeakPolarHBondContact O-CD2 3.31Å; I455-Y459 PolarHBondContact O-N 3.15Å; I455-L490 HydrophobicContact CB-CD2 4.28Å; I455-L490 HydrophobicContact CG2-CD2 3.64Å; I455-L505 HydrophobicContact CD1-CB 4.33Å; I455-L505 HydrophobicContact CD1-CD2 4.45Å; I455-I508 HydrophobicContact CG2-CG2 4.42Å; I455-E509 HydrophobicContact CD1-CB 4.06Å; I455-E509 HydrophobicContact CG1-CB 4.34Å; I455-L512 HydrophobicContact CG2-CD1 3.23Å
456	A	91.8	Very high	90.2	Very high	11 Å²	11	46.3 Å²	46.3	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-44.3	-179.8	0	0	0	0	0	112.2	L452 T453 R458 Y459 L460 L490	L452-A456 VanDerWaalsContact O-CB 3.27Å; L452-A456 WeakPolarHBondContact O-CB 3.42Å; L452-A456 PolarHBondContact O-N 3.34Å; T453-A456 PolarHBondContact O-N 2.86Å; A456-R458 PolarHBondContact O-N 3.4Å; A456-R458 VanDerWaalsContact O-N 3.09Å; A456-Y459 PolarHBondContact O-N 3.37Å; A456-L460 WeakPolarHBondContact O-CB 3.06Å; A456-L460 PolarHBondContact O-N 2.92Å; A456-L490 HydrophobicContact CB-CB 3.87Å; A456-L490 HydrophobicContact CB-CD2 4.2Å; A456-L490 WeakPolarHBondContact CB-O 3.29Å
457	N	90.3	Very high	90.5	Very high	126 Å²	126	44.8 Å²	44.8	67%	0.674	24%	0.241	S	C	*	.	H	α-helix	trans	-56.9	-24.1	175.4	-77.1	-32.1	0	0	0	113.6	T453 I455	T453-N457 WeakPolarHBondContact O-CB 3.36Å; T453-N457 VanDerWaalsContact O-CG 3.26Å; T453-N457 PolarHBondContact O-N 3.15Å; T453-N457 PolarHBondContact O-ND2 2.85Å; T453-N457 VanDerWaalsContact O-ND2 3.17Å; I455-N457 PolarHBondContact O-N 2.83Å
458	R	91.7	Very high	90.6	Very high	113 Å²	113	46.6 Å²	46.6	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-96.7	-39.2	178.6	-68.7	-179	-72.1	147.3	0.6	113.2	D454 I455 A456 E509	D454-R458 PolarHBondContact O-NE 2.76Å; I455-R458 PolarHBondContact O-N 3Å; I455-R458 VanDerWaalsContact O-N 3.12Å; A456-R458 PolarHBondContact O-N 3.4Å; A456-R458 VanDerWaalsContact O-N 3.09Å; R458-E509 IonicContact CZ-OE1 3.46Å; R458-E509 IonicContact NH1-OE1 2.7Å; R458-E509 PolarHBondContact NH1-OE1 3.01Å; R458-E509 IonicContact NH2-OE1 3.42Å; R458-E509 PolarHBondContact NH2-OE1 2.93Å; R458-E509 IonicContact NH2-OE2 3.92Å
459	Y	92.9	Very high	90.7	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-117.5	-7.3	-166.6	-61.4	-72.8	0	0	0	116.4	I455 A456 S461 T462 V463 E509 L512 H513 E516	I455-Y459 HydrophobicContact CG2-CD2 4Å; I455-Y459 WeakPolarHBondContact O-CD2 3.31Å; I455-Y459 PolarHBondContact O-N 3.15Å; A456-Y459 PolarHBondContact O-N 3.37Å; Y459-S461 VanDerWaalsContact C-N 3.28Å; Y459-S461 PolarHBondContact O-N 3.24Å; Y459-T462 WeakPolarHBondContact O-CB 3.49Å; Y459-T462 PolarHBondContact O-N 2.94Å; Y459-T462 VanDerWaalsContact O-N 3.09Å; Y459-V463 WeakPolarHBondContact O-CG2 3.42Å; Y459-V463 PolarHBondContact O-N 3.42Å; Y459-E509 HydrophobicContact CE2-CG 4.46Å; Y459-L512 HydrophobicContact CD1-CB 3.94Å; Y459-L512 HydrophobicContact CD2-CB 3.95Å; Y459-L512 HydrophobicContact CD2-CD1 4.15Å; Y459-L512 HydrophobicContact CE1-CB 4.46Å; Y459-L512 HydrophobicContact CE2-CB 4.46Å; Y459-L512 HydrophobicContact CG-CB 3.68Å; Y459-L512 HydrophobicContact CG-CD1 4.24Å; Y459-L512 HydrophobicContact CG-CG 4.4Å; Y459-H513 AromaticContact CZ-ND1 3.97Å; Y459-H513 PolarHBondContact OH-CE1 3.23Å; Y459-H513 PolarHBondContact OH-ND1 2.96Å; Y459-H513 PolarHBondContact OH-NE2 2.91Å; Y459-E516 HydrophobicContact CE1-CB 4.37Å
460	L	91.4	Very high	90.7	Very high	35 Å²	35	48 Å²	48	18%	0.183	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-33.9	-177.5	-176.9	62.3	0	0	0	112.7	A456 K464 K487 L490 E491	A456-L460 WeakPolarHBondContact O-CB 3.06Å; A456-L460 PolarHBondContact O-N 2.92Å; L460-K464 HydrophobicContact CD1-CD 4.46Å; L460-K464 HydrophobicContact CG-CD 4.27Å; L460-K464 WeakPolarHBondContact O-CB 3.41Å; L460-K464 VanDerWaalsContact O-CG 3.29Å; L460-K464 WeakPolarHBondContact O-CG 3.47Å; L460-K464 PolarHBondContact O-N 3.14Å; L460-K487 HydrophobicContact CD1-CG 4.19Å; L460-L490 HydrophobicContact CD1-CB 4.12Å; L460-E491 HydrophobicContact CD1-CB 4.41Å
461	S	91.9	Very high	90.7	Very high	82 Å²	82	48.4 Å²	48.4	57%	0.573	26%	0.258	S	S	*	.	H	α-helix	trans	-62.2	-48.4	170.8	48.2	0	0	0	0	111.7	Y459 V463 K464 H465	Y459-S461 VanDerWaalsContact C-N 3.28Å; Y459-S461 PolarHBondContact O-N 3.24Å; S461-V463 PolarHBondContact O-N 3.07Å; S461-K464 PolarHBondContact O-N 3.4Å; S461-H465 PolarHBondContact O-N 3.38Å
462	T	91	Very high	90.5	Very high	24 Å²	24	54.8 Å²	54.8	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-44.2	178	-53.1	0	0	0	0	111.9	Y459 H465 A466 I515 E516	Y459-T462 WeakPolarHBondContact O-CB 3.49Å; Y459-T462 PolarHBondContact O-N 2.94Å; Y459-T462 VanDerWaalsContact O-N 3.09Å; T462-H465 PolarHBondContact O-N 2.91Å; T462-A466 WeakPolarHBondContact O-CB 3.31Å; T462-A466 PolarHBondContact O-N 2.8Å; T462-I515 HydrophobicContact CG2-CG2 4.37Å; T462-E516 HydrophobicContact CG2-CB 3.89Å; T462-E516 HydrophobicContact CG2-CG 4.24Å
463	V	92.8	Very high	90	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-42.3	175.8	-179.1	0	0	0	0	111.2	Y459 S461 H465 A466 I467 Y483 L486 K487 L490 L512	Y459-V463 WeakPolarHBondContact O-CG2 3.42Å; Y459-V463 PolarHBondContact O-N 3.42Å; S461-V463 PolarHBondContact O-N 3.07Å; V463-H465 VanDerWaalsContact C-N 3.32Å; V463-H465 PolarHBondContact O-N 3.46Å; V463-A466 PolarHBondContact O-N 3.37Å; V463-I467 HydrophobicContact CG1-CD1 4.21Å; V463-I467 WeakPolarHBondContact O-CG1 3.29Å; V463-I467 PolarHBondContact O-N 2.72Å; V463-Y483 WeakPolarHBondContact CG1-O 3.34Å; V463-L486 HydrophobicContact CG1-CB 4.47Å; V463-L486 HydrophobicContact CG2-CD2 4.2Å; V463-L486 HydrophobicContact CG2-CG 4.36Å; V463-K487 HydrophobicContact CG1-CB 3.89Å; V463-L490 HydrophobicContact CG2-CD1 4.08Å; V463-L512 HydrophobicContact CG2-CD2 3.32Å
464	K	92.6	Very high	89.3	Confident	87 Å²	87	64.4 Å²	64.4	38%	0.378	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-37.7	176.1	-74.7	172.9	178.7	177.7	0	112.2	L460 S461 Q468 E491	L460-K464 HydrophobicContact CD1-CD 4.46Å; L460-K464 HydrophobicContact CG-CD 4.27Å; L460-K464 WeakPolarHBondContact O-CB 3.41Å; L460-K464 VanDerWaalsContact O-CG 3.29Å; L460-K464 WeakPolarHBondContact O-CG 3.47Å; L460-K464 PolarHBondContact O-N 3.14Å; S461-K464 PolarHBondContact O-N 3.4Å; K464-Q468 PolarHBondContact O-N 3.3Å; K464-Q468 VanDerWaalsContact O-N 3.17Å; K464-E491 WeakPolarHBondContact CE-OE1 3.43Å; K464-E491 IonicContact NZ-OE1 3.56Å; K464-E491 PolarHBondContact NZ-OE1 2.94Å; K464-E491 IonicContact NZ-OE2 3.66Å
465	H	91.2	Very high	88.5	Confident	96 Å²	96	67.5 Å²	67.5	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-66.5	-43.1	172	-179.5	-127.2	0	0	0	112.4	S461 T462 V463 I467 Q468 L469	S461-H465 PolarHBondContact O-N 3.38Å; T462-H465 PolarHBondContact O-N 2.91Å; V463-H465 VanDerWaalsContact C-N 3.32Å; V463-H465 PolarHBondContact O-N 3.46Å; H465-I467 PolarHBondContact O-N 3.05Å; H465-Q468 WeakPolarHBondContact O-CB 3.27Å; H465-Q468 PolarHBondContact O-N 2.8Å; H465-Q468 VanDerWaalsContact O-N 3.1Å; H465-L469 PolarHBondContact O-N 3.12Å
466	A	91.1	Very high	87.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-39.8	175.8	0	0	0	0	0	112.5	T462 V463 Q468 L469 A470 Y483 I515 P519	T462-A466 WeakPolarHBondContact O-CB 3.31Å; T462-A466 PolarHBondContact O-N 2.8Å; V463-A466 PolarHBondContact O-N 3.37Å; A466-Q468 VanDerWaalsContact C-N 3.32Å; A466-Q468 PolarHBondContact O-N 3.18Å; A466-L469 PolarHBondContact O-N 2.87Å; A466-A470 VanDerWaalsContact O-CB 3.29Å; A466-A470 WeakPolarHBondContact O-CB 3.37Å; A466-A470 PolarHBondContact O-N 3.12Å; A466-Y483 HydrophobicContact CB-CD1 3.78Å; A466-Y483 HydrophobicContact CB-CE1 3.58Å; A466-I515 HydrophobicContact CB-CG2 3.87Å; A466-P519 HydrophobicContact CB-CB 4.05Å
467	I	90.8	Very high	86.9	Confident	27 Å²	27	70.9 Å²	70.9	14%	0.138	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-44.1	171.1	-67.4	167.2	0	0	0	110.5	V463 H465 L469 S471 I484 K487	V463-I467 HydrophobicContact CG1-CD1 4.21Å; V463-I467 WeakPolarHBondContact O-CG1 3.29Å; V463-I467 PolarHBondContact O-N 2.72Å; H465-I467 PolarHBondContact O-N 3.05Å; I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 PolarHBondContact O-N 3.37Å; I467-S471 WeakPolarHBondContact O-CB 3.44Å; I467-S471 PolarHBondContact O-N 3.02Å; I467-S471 PolarHBondContact O-OG 2.85Å; I467-I484 HydrophobicContact CD1-CG1 4.21Å; I467-K487 HydrophobicContact CD1-CB 3.87Å; I467-K487 HydrophobicContact CD1-CD 3.85Å; I467-K487 HydrophobicContact CD1-CG 4.39Å
468	Q	89.7	Confident	86.2	Confident	120 Å²	120	66.9 Å²	66.9	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-66.7	-32.8	-178.9	-163.8	-175.5	21.6	0	0	112.9	K464 H465 A466 K472	K464-Q468 PolarHBondContact O-N 3.3Å; K464-Q468 VanDerWaalsContact O-N 3.17Å; H465-Q468 WeakPolarHBondContact O-CB 3.27Å; H465-Q468 PolarHBondContact O-N 2.8Å; H465-Q468 VanDerWaalsContact O-N 3.1Å; A466-Q468 VanDerWaalsContact C-N 3.32Å; A466-Q468 PolarHBondContact O-N 3.18Å; Q468-K472 WeakPolarHBondContact O-CG 3.4Å
469	L	89.1	Confident	85.7	Confident	56 Å²	56	61.5 Å²	61.5	29%	0.293	33%	0.329	S	S	.	.	H	α-helix	trans	-77.9	-45.5	175.2	-69.6	175.5	0	0	0	112.2	H465 A466 I467 S471 K472 P519 M520	H465-L469 PolarHBondContact O-N 3.12Å; A466-L469 PolarHBondContact O-N 2.87Å; I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 PolarHBondContact O-N 3.37Å; L469-S471 PolarHBondContact O-N 2.85Å; L469-K472 PolarHBondContact O-N 3.33Å; L469-P519 HydrophobicContact CD1-CB 3.83Å; L469-P519 HydrophobicContact CD1-CG 3.59Å; L469-M520 HydrophobicContact CB-SD 4.04Å
470	A	87.6	Confident	85.4	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-42	177.5	0	0	0	0	0	111.7	A466 K472 R473 A476 V480 Y483 V523	A466-A470 VanDerWaalsContact O-CB 3.29Å; A466-A470 WeakPolarHBondContact O-CB 3.37Å; A466-A470 PolarHBondContact O-N 3.12Å; A470-K472 PolarHBondContact O-N 3.21Å; A470-K472 VanDerWaalsContact O-N 3.08Å; A470-R473 PolarHBondContact O-N 3.23Å; A470-A476 HydrophobicContact CB-CB 4.13Å; A470-A476 WeakPolarHBondContact O-CB 3.38Å; A470-V480 HydrophobicContact CB-CG2 3.68Å; A470-Y483 HydrophobicContact CB-CD2 4.17Å; A470-Y483 HydrophobicContact CB-CE2 4.09Å; A470-V523 HydrophobicContact CB-CG2 4.39Å
471	S	87.4	Confident	85.1	Confident	73 Å²	73	68.7 Å²	68.7	51%	0.51	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.8	178.9	-55.7	0	0	0	0	114.3	I467 L469	I467-S471 WeakPolarHBondContact O-CB 3.44Å; I467-S471 PolarHBondContact O-N 3.02Å; I467-S471 PolarHBondContact O-OG 2.85Å; L469-S471 PolarHBondContact O-N 2.85Å
472	K	86.2	Confident	84.9	Confident	152 Å²	152	66 Å²	66	66%	0.661	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.4	174	-71.7	176.1	-179.9	-178.2	0	113.8	Q468 L469 A470	Q468-K472 WeakPolarHBondContact O-CG 3.4Å; L469-K472 PolarHBondContact O-N 3.33Å; A470-K472 PolarHBondContact O-N 3.21Å; A470-K472 VanDerWaalsContact O-N 3.08Å
473	R	79.6	Confident	84.9	Confident	140 Å²	140	64.9 Å²	64.9	53%	0.528	33%	0.328	S	S	.	.			trans	-118.5	117.9	179.4	-64.6	-166.8	-175.3	-179.5	0.2	110.7	A470 E475 A476	A470-R473 PolarHBondContact O-N 3.23Å; R473-E475 PolarHBondContact O-N 2.97Å; R473-A476 HydrophobicContact CB-CB 4.13Å; R473-A476 WeakPolarHBondContact O-CB 3.37Å; R473-A476 PolarHBondContact O-N 3.22Å
474	P	74.3	Confident	84.8	Confident	114 Å²	114	68.2 Å²	68.2	74%	0.74	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-55.3	-39.1	-179.8	-26.8	35.1	0	0	0	113.5	A476 S477	P474-A476 PolarHBondContact O-N 3.31Å; P474-S477 WeakPolarHBondContact O-CB 3.45Å; P474-S477 PolarHBondContact O-N 2.9Å; P474-S477 PolarHBondContact O-OG 3.4Å
475	E	72.9	Confident	84.5	Confident	145 Å²	145	66 Å²	66	68%	0.678	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.1	-25	178.1	-60.8	165.3	-96	0	0	113.4	R473	R473-E475 PolarHBondContact O-N 2.97Å
476	A	76.3	Confident	84.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-86.9	-0.4	-178.2	0	0	0	0	0	113.9	A470 R473 P474 G478 C479 V480 V523	A470-A476 HydrophobicContact CB-CB 4.13Å; A470-A476 WeakPolarHBondContact O-CB 3.38Å; R473-A476 HydrophobicContact CB-CB 4.13Å; R473-A476 WeakPolarHBondContact O-CB 3.37Å; R473-A476 PolarHBondContact O-N 3.22Å; P474-A476 PolarHBondContact O-N 3.31Å; A476-G478 VanDerWaalsContact C-N 3.33Å; A476-G478 PolarHBondContact O-N 2.94Å; A476-C479 CarbonylContact O-C 3.58Å; A476-C479 WeakPolarHBondContact O-CA 3.33Å; A476-C479 WeakPolarHBondContact O-CB 3.42Å; A476-C479 PolarHBondContact O-N 3.45Å; A476-V480 PolarHBondContact O-N 2.84Å; A476-V523 HydrophobicContact CB-CB 4.39Å; A476-V523 HydrophobicContact CB-CG1 3.76Å; A476-V523 HydrophobicContact CB-CG2 3.65Å
477	S	74.7	Confident	84.5	Confident	86 Å²	86	63.8 Å²	63.8	60%	0.601	32%	0.324	S	S	*	.	H	α-helix	trans	-52.9	-42.5	-174.2	52.5	0	0	0	0	114.3	P474 C479 V480	P474-S477 WeakPolarHBondContact O-CB 3.45Å; P474-S477 PolarHBondContact O-N 2.9Å; P474-S477 PolarHBondContact O-OG 3.4Å; S477-C479 PolarHBondContact O-N 3.16Å; S477-V480 PolarHBondContact O-N 3.19Å
478	G	75	Confident	84.4	Confident	42 Å²	42	65 Å²	65	43%	0.433	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-24.9	174	0	0	0	0	0	114.2	A476	A476-G478 VanDerWaalsContact C-N 3.33Å; A476-G478 PolarHBondContact O-N 2.94Å
479	C	81.9	Confident	84.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-91.1	-32	178.3	-58.4	0	0	0	0	112.7	A476 S477 R481 K482 Y483 L522 V523 H526	A476-C479 CarbonylContact O-C 3.58Å; A476-C479 WeakPolarHBondContact O-CA 3.33Å; A476-C479 WeakPolarHBondContact O-CB 3.42Å; A476-C479 PolarHBondContact O-N 3.45Å; S477-C479 PolarHBondContact O-N 3.16Å; C479-R481 PolarHBondContact O-N 3.45Å; C479-K482 WeakPolarHBondContact O-CA 3.45Å; C479-K482 WeakPolarHBondContact O-CB 3.22Å; C479-K482 PolarHBondContact O-N 3.49Å; C479-Y483 HydrophobicContact CB-CD2 4.45Å; C479-Y483 HydrophobicContact CB-CE2 4.2Å; C479-Y483 WeakPolarHBondContact O-CD2 3.28Å; C479-Y483 PolarHBondContact O-N 2.67Å; C479-L522 HydrophobicContact CB-CB 4.48Å; C479-L522 PolarHBondContact SG-O 3.03Å; C479-V523 HydrophobicContact CB-CG2 3.88Å; C479-H526 WeakPolarHBondContact SG-CB 3.31Å; C479-H526 VanDerWaalsContact SG-CG 3.56Å
480	V	86.7	Confident	84.3	Confident	22 Å²	22	57.4 Å²	57.4	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-52.5	-41.6	173.8	171.7	0	0	0	0	110.4	A470 A476 S477 K482 Y483 I484	A470-V480 HydrophobicContact CB-CG2 3.68Å; A476-V480 PolarHBondContact O-N 2.84Å; S477-V480 PolarHBondContact O-N 3.19Å; V480-K482 VanDerWaalsContact C-N 3.29Å; V480-K482 PolarHBondContact O-N 3.24Å; V480-Y483 PolarHBondContact O-N 3.48Å; V480-I484 HydrophobicContact CG1-CD1 3.72Å; V480-I484 HydrophobicContact CG1-CG1 4.32Å; V480-I484 WeakPolarHBondContact O-CG1 3.28Å; V480-I484 PolarHBondContact O-N 3.03Å
481	R	85.3	Confident	84.4	Confident	176 Å²	176	60.4 Å²	60.4	66%	0.664	31%	0.308	S	S	*	.	H	α-helix	trans	-60.4	-32.6	174	-171.6	178.1	-73	-114.3	2	113.5	C479 K485	C479-R481 PolarHBondContact O-N 3.45Å; R481-K485 WeakPolarHBondContact O-CG 3.4Å; R481-K485 PolarHBondContact O-N 3.12Å
482	K	87.3	Confident	84.3	Confident	26 Å²	26	62 Å²	62	11%	0.113	31%	0.308	C	S	.	.	H	α-helix	trans	-72.7	-44	173.8	-61.4	-172	-175.6	-176.9	0	112	C479 V480 I484 K485 L486 L522 E525 N621	C479-K482 WeakPolarHBondContact O-CA 3.45Å; C479-K482 WeakPolarHBondContact O-CB 3.22Å; C479-K482 PolarHBondContact O-N 3.49Å; V480-K482 VanDerWaalsContact C-N 3.29Å; V480-K482 PolarHBondContact O-N 3.24Å; K482-I484 VanDerWaalsContact C-N 3.31Å; K482-I484 PolarHBondContact O-N 3.05Å; K482-K485 PolarHBondContact O-N 2.83Å; K482-L486 WeakPolarHBondContact O-CB 3.38Å; K482-L486 PolarHBondContact O-N 2.92Å; K482-L522 HydrophobicContact CB-CD1 3.98Å; K482-E525 IonicContact NZ-OE2 3.18Å; K482-N621 PolarHBondContact NZ-OD1 2.86Å
483	Y	91.3	Very high	84	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-37	176.8	-70.4	-80.1	0	0	0	112	V463 A466 A470 C479 V480 L486 K487 I515 P519 H521 L522 V523	V463-Y483 WeakPolarHBondContact CG1-O 3.34Å; A466-Y483 HydrophobicContact CB-CD1 3.78Å; A466-Y483 HydrophobicContact CB-CE1 3.58Å; A470-Y483 HydrophobicContact CB-CD2 4.17Å; A470-Y483 HydrophobicContact CB-CE2 4.09Å; C479-Y483 HydrophobicContact CB-CD2 4.45Å; C479-Y483 HydrophobicContact CB-CE2 4.2Å; C479-Y483 WeakPolarHBondContact O-CD2 3.28Å; C479-Y483 PolarHBondContact O-N 2.67Å; V480-Y483 PolarHBondContact O-N 3.48Å; Y483-L486 PolarHBondContact O-N 3.42Å; Y483-K487 PolarHBondContact O-N 3.1Å; Y483-I515 HydrophobicContact CD1-CD1 4.32Å; Y483-I515 HydrophobicContact CE1-CD1 3.93Å; Y483-I515 HydrophobicContact CE1-CG1 4.12Å; Y483-I515 HydrophobicContact CE1-CG2 4.01Å; Y483-P519 PolarHBondContact OH-O 2.65Å; Y483-H521 PolarHBondContact OH-N 3.33Å; Y483-L522 HydrophobicContact CD1-CD1 3.97Å; Y483-L522 HydrophobicContact CD2-CD1 4.22Å; Y483-L522 HydrophobicContact CE1-CB 4.4Å; Y483-L522 HydrophobicContact CE1-CD1 3.87Å; Y483-L522 HydrophobicContact CE1-CG 4.23Å; Y483-L522 HydrophobicContact CE2-CB 3.76Å; Y483-L522 HydrophobicContact CE2-CD1 4.09Å; Y483-L522 HydrophobicContact CE2-CG 4.38Å; Y483-L522 HydrophobicContact CG-CD1 4.15Å; Y483-L522 PolarHBondContact OH-N 3.32Å; Y483-V523 HydrophobicContact CE2-CG2 4.1Å
484	I	89.5	Confident	84	Confident	71 Å²	71	55.9 Å²	55.9	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-53.7	173.9	-70.9	168.9	0	0	0	110.3	I467 V480 K482 L486 K487 D488	I467-I484 HydrophobicContact CD1-CG1 4.21Å; V480-I484 HydrophobicContact CG1-CD1 3.72Å; V480-I484 HydrophobicContact CG1-CG1 4.32Å; V480-I484 WeakPolarHBondContact O-CG1 3.28Å; V480-I484 PolarHBondContact O-N 3.03Å; K482-I484 VanDerWaalsContact C-N 3.31Å; K482-I484 PolarHBondContact O-N 3.05Å; I484-L486 PolarHBondContact O-N 3.09Å; I484-L486 VanDerWaalsContact O-N 3.16Å; I484-K487 WeakPolarHBondContact O-CA 3.27Å; I484-K487 WeakPolarHBondContact O-CB 3.34Å; I484-K487 PolarHBondContact O-N 2.69Å; I484-D488 VanDerWaalsContact CG2-OD2 3.27Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.21Å; I484-D488 PolarHBondContact O-N 2.9Å; I484-D488 VanDerWaalsContact O-OD2 3.11Å
485	K	86.7	Confident	84.1	Confident	40 Å²	40	54 Å²	54	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-54.4	-38.1	174.3	-73.7	-178.8	-179.2	-175.2	0	113.1	R481 K482 D488 I489 L624 Q626	R481-K485 WeakPolarHBondContact O-CG 3.4Å; R481-K485 PolarHBondContact O-N 3.12Å; K482-K485 PolarHBondContact O-N 2.83Å; K485-D488 PolarHBondContact O-N 3.33Å; K485-I489 WeakPolarHBondContact O-CB 3.44Å; K485-I489 VanDerWaalsContact O-CG1 3.29Å; K485-I489 WeakPolarHBondContact O-CG1 3.43Å; K485-I489 PolarHBondContact O-N 3.49Å; K485-L624 HydrophobicContact CB-CD2 4.22Å; K485-L624 WeakPolarHBondContact CD-O 3.44Å; K485-L624 PolarHBondContact NZ-O 3.39Å; K485-Q626 PolarHBondContact NZ-O 2.67Å
486	L	89.8	Confident	84	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-37.6	177.6	-170.5	63.7	0	0	0	112.5	V463 K482 Y483 I484 L490 I508 L511 L512 I515 L624	V463-L486 HydrophobicContact CG1-CB 4.47Å; V463-L486 HydrophobicContact CG2-CD2 4.2Å; V463-L486 HydrophobicContact CG2-CG 4.36Å; K482-L486 WeakPolarHBondContact O-CB 3.38Å; K482-L486 PolarHBondContact O-N 2.92Å; Y483-L486 PolarHBondContact O-N 3.42Å; I484-L486 PolarHBondContact O-N 3.09Å; I484-L486 VanDerWaalsContact O-N 3.16Å; L486-L490 WeakPolarHBondContact O-CG 3.33Å; L486-L490 PolarHBondContact O-N 3.3Å; L486-I508 HydrophobicContact CD1-CG2 4.44Å; L486-L511 HydrophobicContact CD2-CD2 4.43Å; L486-L512 HydrophobicContact CD1-CD2 4.4Å; L486-L512 HydrophobicContact CD2-CD2 3.68Å; L486-L512 HydrophobicContact CG-CD2 4.05Å; L486-I515 HydrophobicContact CD2-CD1 3.53Å; L486-L624 HydrophobicContact CB-CD2 4.42Å
487	K	91.9	Very high	83.9	Confident	47 Å²	47	49.3 Å²	49.3	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-48.3	168.6	162	-154.5	160.6	-58.8	0	110.1	L460 V463 I467 Y483 I484 I489 L490 E491	L460-K487 HydrophobicContact CD1-CG 4.19Å; V463-K487 HydrophobicContact CG1-CB 3.89Å; I467-K487 HydrophobicContact CD1-CB 3.87Å; I467-K487 HydrophobicContact CD1-CD 3.85Å; I467-K487 HydrophobicContact CD1-CG 4.39Å; Y483-K487 PolarHBondContact O-N 3.1Å; I484-K487 WeakPolarHBondContact O-CA 3.27Å; I484-K487 WeakPolarHBondContact O-CB 3.34Å; I484-K487 PolarHBondContact O-N 2.69Å; K487-I489 VanDerWaalsContact C-N 3.33Å; K487-I489 PolarHBondContact O-N 2.96Å; K487-L490 CarbonylContact O-C 3.6Å; K487-L490 PolarHBondContact O-N 3.08Å; K487-E491 WeakPolarHBondContact CE-OE2 3.24Å; K487-E491 IonicContact NZ-OE2 2.84Å; K487-E491 PolarHBondContact NZ-OE2 3.32Å; K487-E491 VanDerWaalsContact O-CB 3.31Å; K487-E491 WeakPolarHBondContact O-CB 3.07Å; K487-E491 PolarHBondContact O-N 3.06Å
488	D	89.5	Confident	83.5	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-33.4	-173.2	-54.8	-28.1	0	0	0	112	I484 K485 L490 H492	I484-D488 VanDerWaalsContact CG2-OD2 3.27Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.21Å; I484-D488 PolarHBondContact O-N 2.9Å; I484-D488 VanDerWaalsContact O-OD2 3.11Å; K485-D488 PolarHBondContact O-N 3.33Å; D488-L490 VanDerWaalsContact C-N 3.34Å; D488-H492 PolarHBondContact O-N 2.9Å
489	I	87.2	Confident	83.3	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-39.6	169.2	-75.5	164.5	0	0	0	112.3	L452 K485 K487 N496 L500 L623 L624	L452-I489 HydrophobicContact CD2-CG2 4.23Å; K485-I489 WeakPolarHBondContact O-CB 3.44Å; K485-I489 VanDerWaalsContact O-CG1 3.29Å; K485-I489 WeakPolarHBondContact O-CG1 3.43Å; K485-I489 PolarHBondContact O-N 3.49Å; K487-I489 VanDerWaalsContact C-N 3.33Å; K487-I489 PolarHBondContact O-N 2.96Å; I489-N496 WeakPolarHBondContact CG1-OD1 3.43Å; I489-L500 HydrophobicContact CG2-CD1 3.82Å; I489-L623 HydrophobicContact CD1-CD2 4.06Å; I489-L624 HydrophobicContact CD1-CD2 4.35Å
490	L	89.5	Confident	83	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-82.5	-29.5	-179.1	-66.7	177.1	0	0	0	113.1	I455 A456 L460 V463 L486 K487 D488 L512	I455-L490 HydrophobicContact CB-CD2 4.28Å; I455-L490 HydrophobicContact CG2-CD2 3.64Å; A456-L490 HydrophobicContact CB-CB 3.87Å; A456-L490 HydrophobicContact CB-CD2 4.2Å; A456-L490 WeakPolarHBondContact CB-O 3.29Å; L460-L490 HydrophobicContact CD1-CB 4.12Å; V463-L490 HydrophobicContact CG2-CD1 4.08Å; L486-L490 WeakPolarHBondContact O-CG 3.33Å; L486-L490 PolarHBondContact O-N 3.3Å; K487-L490 CarbonylContact O-C 3.6Å; K487-L490 PolarHBondContact O-N 3.08Å; D488-L490 VanDerWaalsContact C-N 3.34Å; L490-L512 HydrophobicContact CD1-CD1 3.97Å; L490-L512 HydrophobicContact CD1-CD2 4.08Å; L490-L512 HydrophobicContact CD2-CD1 4.25Å
491	E	88.5	Confident	82.5	Confident	63 Å²	63	53.3 Å²	53.3	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-84.9	-25	-178.3	-162.7	149.7	-126.7	0	0	112.1	L460 K464 K487	L460-E491 HydrophobicContact CD1-CB 4.41Å; K464-E491 WeakPolarHBondContact CE-OE1 3.43Å; K464-E491 IonicContact NZ-OE1 3.56Å; K464-E491 PolarHBondContact NZ-OE1 2.94Å; K464-E491 IonicContact NZ-OE2 3.66Å; K487-E491 WeakPolarHBondContact CE-OE2 3.24Å; K487-E491 IonicContact NZ-OE2 2.84Å; K487-E491 PolarHBondContact NZ-OE2 3.32Å; K487-E491 VanDerWaalsContact O-CB 3.31Å; K487-E491 WeakPolarHBondContact O-CB 3.07Å; K487-E491 PolarHBondContact O-N 3.06Å
492	H	85.4	Confident	82.3	Confident	107 Å²	107	50.2 Å²	50.2	50%	0.495	26%	0.263	S	S	.	.			trans	-130.9	69.5	177.6	-57.1	-36.6	0	0	0	111.7	D488 E494 A495 N496	D488-H492 PolarHBondContact O-N 2.9Å; H492-E494 VanDerWaalsContact C-N 3.32Å; H492-E494 PolarHBondContact O-N 3.49Å; H492-A495 HydrophobicContact CB-CB 4.05Å; H492-A495 PolarHBondContact O-N 3.28Å; H492-N496 PolarHBondContact O-ND2 2.79Å
493	P	80.9	Confident	82	Confident	20 Å²	20	52.7 Å²	52.7	13%	0.13	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-37.5	-175.4	24.7	-34.9	0	0	0	113.2	V449 L452 N496 L497	V449-P493 HydrophobicContact CG1-CB 4.45Å; V449-P493 HydrophobicContact CG1-CG 4.35Å; L452-P493 HydrophobicContact CB-CB 3.62Å; L452-P493 HydrophobicContact CD1-CB 3.83Å; L452-P493 HydrophobicContact CG-CB 4.39Å; P493-N496 PolarHBondContact O-N 2.92Å; P493-L497 PolarHBondContact O-N 3.2Å
494	E	78.9	Confident	81.5	Confident	143 Å²	143	53.8 Å²	53.8	67%	0.668	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-40.3	179.2	-63.5	-179.1	179.2	0	0	112.6	V449 H492 N496 L497	V449-E494 HydrophobicContact CG1-CG 4.18Å; V449-E494 HydrophobicContact CG2-CG 4.03Å; H492-E494 VanDerWaalsContact C-N 3.32Å; H492-E494 PolarHBondContact O-N 3.49Å; E494-N496 PolarHBondContact O-N 2.86Å; E494-L497 VanDerWaalsContact O-CB 3.3Å; E494-L497 WeakPolarHBondContact O-CB 3.43Å; E494-L497 WeakPolarHBondContact O-CG 3.43Å; E494-L497 PolarHBondContact O-N 3.31Å
495	A	77.4	Confident	81.4	Confident	74 Å²	74	51.1 Å²	51.1	61%	0.612	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.5	178.8	0	0	0	0	0	112.7	H492	H492-A495 HydrophobicContact CB-CB 4.05Å; H492-A495 PolarHBondContact O-N 3.28Å
496	N	70.8	Confident	81.4	Confident	26 Å²	26	53.1 Å²	53.1	14%	0.139	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.6	-176.5	-68.3	-87.5	0	0	0	113.4	I489 H492 P493 E494 N498 V499 L500	I489-N496 WeakPolarHBondContact CG1-OD1 3.43Å; H492-N496 PolarHBondContact O-ND2 2.79Å; P493-N496 PolarHBondContact O-N 2.92Å; E494-N496 PolarHBondContact O-N 2.86Å; N496-N498 PolarHBondContact O-N 3.45Å; N496-N498 VanDerWaalsContact O-N 3.16Å; N496-V499 PolarHBondContact O-N 3.44Å; N496-L500 HydrophobicContact CB-CD1 3.74Å; N496-L500 HydrophobicContact CB-CG 4.49Å; N496-L500 PolarHBondContact O-N 3.29Å
497	L	73.4	Confident	81.2	Confident	22 Å²	22	55.6 Å²	55.6	12%	0.115	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.7	179.1	-90.3	171.6	0	0	0	114.3	K440 Q445 I448 V449 P493 E494	K440-L497 PolarHBondContact NZ-O 2.8Å; Q445-L497 HydrophobicContact CB-CD1 4.3Å; Q445-L497 HydrophobicContact CB-CD2 3.8Å; Q445-L497 HydrophobicContact CG-CD2 4.13Å; I448-L497 HydrophobicContact CB-CD2 4.09Å; I448-L497 HydrophobicContact CG2-CD2 3.98Å; V449-L497 HydrophobicContact CG2-CD1 3.87Å; V449-L497 HydrophobicContact CG2-CD2 3.91Å; V449-L497 HydrophobicContact CG2-CG 3.93Å; P493-L497 PolarHBondContact O-N 3.2Å; E494-L497 VanDerWaalsContact O-CB 3.3Å; E494-L497 WeakPolarHBondContact O-CB 3.43Å; E494-L497 WeakPolarHBondContact O-CG 3.43Å; E494-L497 PolarHBondContact O-N 3.31Å
498	N	67.5	Low	81.1	Confident	150 Å²	150	53.6 Å²	53.6	80%	0.802	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-39.2	179.3	-69.1	-35.6	0	0	0	111.5	K440 N496	K440-N498 PolarHBondContact NZ-O 3.46Å; K440-N498 VanDerWaalsContact NZ-O 3.14Å; N496-N498 PolarHBondContact O-N 3.45Å; N496-N498 VanDerWaalsContact O-N 3.16Å
499	V	69.8	Low	81.1	Confident	38 Å²	38	53.6 Å²	53.6	23%	0.23	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-39.2	-175.6	-171.7	0	0	0	0	112	N496 L623 F628	N496-V499 PolarHBondContact O-N 3.44Å; V499-L623 HydrophobicContact CG1-CD1 4.23Å; V499-L623 HydrophobicContact CG1-CD2 3.78Å; V499-L623 HydrophobicContact CG1-CG 3.82Å; V499-F628 HydrophobicContact CB-CE1 4.34Å; V499-F628 HydrophobicContact CB-CZ 4.26Å; V499-F628 HydrophobicContact CG1-CE1 3.92Å; V499-F628 HydrophobicContact CG1-CE2 4.1Å; V499-F628 HydrophobicContact CG1-CZ 3.41Å; V499-F628 VanDerWaalsContact CG1-CZ 3.41Å; V499-F628 HydrophobicContact CG2-CD1 3.86Å; V499-F628 HydrophobicContact CG2-CE1 3.44Å; V499-F628 VanDerWaalsContact CG2-CE1 3.44Å; V499-F628 HydrophobicContact CG2-CE2 4.41Å; V499-F628 HydrophobicContact CG2-CZ 3.76Å
500	L	75.4	Confident	81.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.316	C	S	.	.			trans	-93.9	132	-168.9	-69.6	165.7	0	0	0	112.8	K440 I448 L452 I489 N496 Q504 I508 L623	K440-L500 PolarHBondContact NZ-O 3.42Å; I448-L500 HydrophobicContact CG2-CB 4.48Å; L452-L500 HydrophobicContact CD1-CD1 3.68Å; L452-L500 HydrophobicContact CD2-CD1 4.08Å; L452-L500 HydrophobicContact CG-CD1 4.5Å; I489-L500 HydrophobicContact CG2-CD1 3.82Å; N496-L500 HydrophobicContact CB-CD1 3.74Å; N496-L500 HydrophobicContact CB-CG 4.49Å; N496-L500 PolarHBondContact O-N 3.29Å; L500-Q504 HydrophobicContact CD2-CB 4.36Å; L500-I508 HydrophobicContact CD1-CD1 4.45Å; L500-I508 HydrophobicContact CD2-CD1 3.6Å; L500-L623 HydrophobicContact CD2-CD1 3.65Å; L500-L623 HydrophobicContact CD2-CD2 3.93Å; L500-L623 HydrophobicContact CD2-CG 4.46Å
501	S	77.5	Confident	81.2	Confident	46 Å²	46	57.9 Å²	57.9	32%	0.322	32%	0.318	S	S	.	.			trans	-99.4	152.1	167.6	64.3	0	0	0	0	109.9	A503 Q504	S501-A503 PolarHBondContact O-N 3.49Å; S501-A503 VanDerWaalsContact O-N 3.15Å; S501-Q504 WeakPolarHBondContact O-CB 3.37Å; S501-Q504 PolarHBondContact O-N 3.07Å; S501-Q504 PolarHBondContact OG-OE1 3.21Å
502	F	80.7	Confident	81.4	Confident	111 Å²	111	54.9 Å²	54.9	49%	0.487	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.5	179.4	-172.4	-101.3	0	0	0	112.8	Q447 I448 Q504 L505	Q447-F502 HydrophobicContact CB-CD2 4.26Å; Q447-F502 HydrophobicContact CB-CE2 4.05Å; I448-F502 HydrophobicContact CD1-CB 4.4Å; I448-F502 HydrophobicContact CG1-CB 4.08Å; I448-F502 HydrophobicContact CG1-CD2 4.16Å; F502-Q504 PolarHBondContact O-N 2.91Å; F502-Q504 VanDerWaalsContact O-N 3.16Å; F502-L505 HydrophobicContact CD2-CD1 3.59Å; F502-L505 HydrophobicContact CE2-CD1 3.8Å; F502-L505 HydrophobicContact CG-CD1 4.33Å; F502-L505 WeakPolarHBondContact O-CG 3.41Å; F502-L505 PolarHBondContact O-N 2.91Å
503	A	80.5	Confident	81.6	Confident	77 Å²	77	53.2 Å²	53.2	64%	0.636	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-64.5	-14.3	176.5	0	0	0	0	0	114.9	S501	S501-A503 PolarHBondContact O-N 3.49Å; S501-A503 VanDerWaalsContact O-N 3.15Å
504	Q	81.7	Confident	82	Confident	24 Å²	24	54.8 Å²	54.8	11%	0.112	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-90.1	-14.9	177.1	-72.5	153.8	-30.3	0	0	113.2	L500 S501 F502 L507 I508 N619 L623	L500-Q504 HydrophobicContact CD2-CB 4.36Å; S501-Q504 WeakPolarHBondContact O-CB 3.37Å; S501-Q504 PolarHBondContact O-N 3.07Å; S501-Q504 PolarHBondContact OG-OE1 3.21Å; F502-Q504 PolarHBondContact O-N 2.91Å; F502-Q504 VanDerWaalsContact O-N 3.16Å; Q504-L507 WeakPolarHBondContact O-CB 3.39Å; Q504-L507 PolarHBondContact O-N 3.15Å; Q504-L507 VanDerWaalsContact O-N 3.16Å; Q504-I508 WeakPolarHBondContact O-CG1 3.11Å; Q504-I508 PolarHBondContact O-N 3.27Å; Q504-N619 PolarHBondContact NE2-OD1 2.81Å; Q504-L623 HydrophobicContact CG-CD1 4.48Å
505	L	86.3	Confident	82.6	Confident	14 Å²	14	48 Å²	48	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-47	178.7	-58.9	172.2	0	0	0	112.9	L452 I455 F502 L507 I508 E509	L452-L505 HydrophobicContact CD2-CD2 3.57Å; L452-L505 HydrophobicContact CG-CD2 3.69Å; I455-L505 HydrophobicContact CD1-CB 4.33Å; I455-L505 HydrophobicContact CD1-CD2 4.45Å; F502-L505 HydrophobicContact CD2-CD1 3.59Å; F502-L505 HydrophobicContact CE2-CD1 3.8Å; F502-L505 HydrophobicContact CG-CD1 4.33Å; F502-L505 WeakPolarHBondContact O-CG 3.41Å; F502-L505 PolarHBondContact O-N 2.91Å; L505-L507 PolarHBondContact O-N 3.05Å; L505-I508 PolarHBondContact O-N 3.42Å; L505-E509 WeakPolarHBondContact O-CB 3.4Å; L505-E509 PolarHBondContact O-N 3.4Å
506	P	86.2	Confident	83.2	Confident	82 Å²	82	49.3 Å²	49.3	53%	0.532	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-25.8	178.8	-18.7	33.8	0	0	0	112.9	K510	P506-K510 WeakPolarHBondContact O-CB 3.43Å; P506-K510 PolarHBondContact O-N 3.21Å
507	L	87	Confident	84.1	Confident	55 Å²	55	58.3 Å²	58.3	29%	0.288	30%	0.296	S	S	.	.	H	α-helix	trans	-72.1	-45.4	175.2	-59.3	178.8	0	0	0	110.5	Q504 L505 K510 L511 L620	Q504-L507 WeakPolarHBondContact O-CB 3.39Å; Q504-L507 PolarHBondContact O-N 3.15Å; Q504-L507 VanDerWaalsContact O-N 3.16Å; L505-L507 PolarHBondContact O-N 3.05Å; L507-K510 PolarHBondContact O-N 3.36Å; L507-L511 PolarHBondContact O-N 2.73Å; L507-L620 HydrophobicContact CB-CD1 3.86Å; L507-L620 HydrophobicContact CB-CD2 4.22Å; L507-L620 HydrophobicContact CB-CG 3.96Å
508	I	88.2	Confident	84.8	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-48.1	174.7	-69.5	171.2	0	0	0	110.1	L452 I455 L486 L500 Q504 L505 K510 L511 L512 L620	L452-I508 HydrophobicContact CD2-CD1 4.43Å; I455-I508 HydrophobicContact CG2-CG2 4.42Å; L486-I508 HydrophobicContact CD1-CG2 4.44Å; L500-I508 HydrophobicContact CD1-CD1 4.45Å; L500-I508 HydrophobicContact CD2-CD1 3.6Å; Q504-I508 WeakPolarHBondContact O-CG1 3.11Å; Q504-I508 PolarHBondContact O-N 3.27Å; L505-I508 PolarHBondContact O-N 3.42Å; I508-K510 VanDerWaalsContact C-N 3.33Å; I508-K510 PolarHBondContact O-N 3.44Å; I508-L511 PolarHBondContact O-N 2.96Å; I508-L512 HydrophobicContact CG2-CD1 3.67Å; I508-L512 HydrophobicContact CG2-CG 4.44Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.47Å; I508-L512 PolarHBondContact O-N 2.84Å; I508-L620 HydrophobicContact CG1-CD2 3.78Å
509	E	90.3	Very high	85.8	Confident	53 Å²	53	54 Å²	54	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-39.4	177.4	-179.5	166.3	-154.7	0	0	112.5	I455 R458 Y459 L505 L512 H513	I455-E509 HydrophobicContact CD1-CB 4.06Å; I455-E509 HydrophobicContact CG1-CB 4.34Å; R458-E509 IonicContact CZ-OE1 3.46Å; R458-E509 IonicContact NH1-OE1 2.7Å; R458-E509 PolarHBondContact NH1-OE1 3.01Å; R458-E509 IonicContact NH2-OE1 3.42Å; R458-E509 PolarHBondContact NH2-OE1 2.93Å; R458-E509 IonicContact NH2-OE2 3.92Å; Y459-E509 HydrophobicContact CE2-CG 4.46Å; L505-E509 WeakPolarHBondContact O-CB 3.4Å; L505-E509 PolarHBondContact O-N 3.4Å; E509-L512 PolarHBondContact O-N 3.19Å; E509-H513 PolarHBondContact O-N 3.22Å; E509-H513 PolarHBondContact O-ND1 3.47Å; E509-H513 IonicContact OE1-CE1 3.6Å
510	K	89.8	Confident	86.5	Confident	94 Å²	94	53.4 Å²	53.4	41%	0.409	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-46.6	174.3	-169.3	-170.9	-178.1	-124.3	0	111.9	P506 L507 I508 L512 H513 E514	P506-K510 WeakPolarHBondContact O-CB 3.43Å; P506-K510 PolarHBondContact O-N 3.21Å; L507-K510 PolarHBondContact O-N 3.36Å; I508-K510 VanDerWaalsContact C-N 3.33Å; I508-K510 PolarHBondContact O-N 3.44Å; K510-L512 PolarHBondContact O-N 3.4Å; K510-H513 PolarHBondContact O-N 2.7Å; K510-E514 WeakPolarHBondContact CE-OE1 3.35Å; K510-E514 IonicContact NZ-OE1 2.97Å; K510-E514 PolarHBondContact NZ-OE1 2.88Å; K510-E514 WeakPolarHBondContact O-CG 3.32Å; K510-E514 PolarHBondContact O-N 3Å
511	L	89.4	Confident	87.1	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-34.4	177.9	177.8	61.3	0	0	0	111.6	L486 L507 I508 E514 I515 L522 L620 L624	L486-L511 HydrophobicContact CD2-CD2 4.43Å; L507-L511 PolarHBondContact O-N 2.73Å; I508-L511 PolarHBondContact O-N 2.96Å; L511-E514 PolarHBondContact O-N 3.37Å; L511-I515 HydrophobicContact CD1-CD1 4.19Å; L511-I515 HydrophobicContact CD1-CG1 4.47Å; L511-I515 HydrophobicContact CG-CD1 3.97Å; L511-I515 VanDerWaalsContact O-CG1 3.3Å; L511-I515 WeakPolarHBondContact O-CG1 3.32Å; L511-I515 PolarHBondContact O-N 3.33Å; L511-L522 HydrophobicContact CD1-CD2 3.97Å; L511-L620 HydrophobicContact CB-CD1 4.16Å; L511-L620 HydrophobicContact CD2-CD1 4.32Å; L511-L624 HydrophobicContact CD2-CD1 4.05Å
512	L	92.8	Very high	87.5	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-72.5	-36.6	177.6	-68.6	165.2	0	0	0	112.9	I455 Y459 V463 L486 L490 I508 E509 K510 E514 I515 E516	I455-L512 HydrophobicContact CG2-CD1 3.23Å; Y459-L512 HydrophobicContact CD1-CB 3.94Å; Y459-L512 HydrophobicContact CD2-CB 3.95Å; Y459-L512 HydrophobicContact CD2-CD1 4.15Å; Y459-L512 HydrophobicContact CE1-CB 4.46Å; Y459-L512 HydrophobicContact CE2-CB 4.46Å; Y459-L512 HydrophobicContact CG-CB 3.68Å; Y459-L512 HydrophobicContact CG-CD1 4.24Å; Y459-L512 HydrophobicContact CG-CG 4.4Å; V463-L512 HydrophobicContact CG2-CD2 3.32Å; L486-L512 HydrophobicContact CD1-CD2 4.4Å; L486-L512 HydrophobicContact CD2-CD2 3.68Å; L486-L512 HydrophobicContact CG-CD2 4.05Å; L490-L512 HydrophobicContact CD1-CD1 3.97Å; L490-L512 HydrophobicContact CD1-CD2 4.08Å; L490-L512 HydrophobicContact CD2-CD1 4.25Å; I508-L512 HydrophobicContact CG2-CD1 3.67Å; I508-L512 HydrophobicContact CG2-CG 4.44Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.47Å; I508-L512 PolarHBondContact O-N 2.84Å; E509-L512 PolarHBondContact O-N 3.19Å; K510-L512 PolarHBondContact O-N 3.4Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 3.32Å; L512-I515 PolarHBondContact O-N 3.42Å; L512-E516 WeakPolarHBondContact O-CB 3.45Å; L512-E516 PolarHBondContact O-N 2.82Å
513	H	90.1	Very high	87.7	Confident	72 Å²	72	49.4 Å²	49.4	33%	0.333	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-37.4	167.7	-75.4	86.9	0	0	0	112.1	Y459 E509 K510 E516 R517	Y459-H513 AromaticContact CZ-ND1 3.97Å; Y459-H513 PolarHBondContact OH-CE1 3.23Å; Y459-H513 PolarHBondContact OH-ND1 2.96Å; Y459-H513 PolarHBondContact OH-NE2 2.91Å; E509-H513 PolarHBondContact O-N 3.22Å; E509-H513 PolarHBondContact O-ND1 3.47Å; E509-H513 IonicContact OE1-CE1 3.6Å; K510-H513 PolarHBondContact O-N 2.7Å; H513-E516 PolarHBondContact O-N 3.06Å; H513-R517 WeakPolarHBondContact O-CG 3.24Å; H513-R517 PolarHBondContact O-N 2.65Å; H513-R517 VanDerWaalsContact O-N 3.12Å
514	E	89.3	Confident	87.9	Confident	53 Å²	53	51 Å²	51	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-39	176.1	-69.7	168	178.9	0	0	111	K510 L511 L512 N518 H521	K510-E514 WeakPolarHBondContact CE-OE1 3.35Å; K510-E514 IonicContact NZ-OE1 2.97Å; K510-E514 PolarHBondContact NZ-OE1 2.88Å; K510-E514 WeakPolarHBondContact O-CG 3.32Å; K510-E514 PolarHBondContact O-N 3Å; L511-E514 PolarHBondContact O-N 3.37Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 3.32Å; E514-N518 PolarHBondContact O-N 3.16Å; E514-H521 IonicContact OE2-CE1 2.7Å; E514-H521 PolarHBondContact OE2-CE1 2.97Å; E514-H521 VanDerWaalsContact OE2-CE1 3.23Å; E514-H521 IonicContact OE2-ND1 2.96Å
515	I	90.4	Very high	88	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-31.5	174	-68.2	165.5	0	0	0	112.5	T462 A466 Y483 L486 L511 L512 N518 P519 H521 L522	T462-I515 HydrophobicContact CG2-CG2 4.37Å; A466-I515 HydrophobicContact CB-CG2 3.87Å; Y483-I515 HydrophobicContact CD1-CD1 4.32Å; Y483-I515 HydrophobicContact CE1-CD1 3.93Å; Y483-I515 HydrophobicContact CE1-CG1 4.12Å; Y483-I515 HydrophobicContact CE1-CG2 4.01Å; L486-I515 HydrophobicContact CD2-CD1 3.53Å; L511-I515 HydrophobicContact CD1-CD1 4.19Å; L511-I515 HydrophobicContact CD1-CG1 4.47Å; L511-I515 HydrophobicContact CG-CD1 3.97Å; L511-I515 VanDerWaalsContact O-CG1 3.3Å; L511-I515 WeakPolarHBondContact O-CG1 3.32Å; L511-I515 PolarHBondContact O-N 3.33Å; L512-I515 PolarHBondContact O-N 3.42Å; I515-N518 WeakPolarHBondContact CA-O 3.45Å; I515-N518 CarbonylContact O-C 3.59Å; I515-P519 VanDerWaalsContact O-CA 3.23Å; I515-P519 WeakPolarHBondContact O-CA 3.38Å; I515-P519 VanDerWaalsContact O-N 3.11Å; I515-H521 HydrophobicContact CG1-CB 4.47Å; I515-L522 HydrophobicContact CD1-CD1 4.14Å; I515-L522 HydrophobicContact CD1-CG 4.28Å
516	E	89.8	Confident	87.9	Confident	101 Å²	101	54 Å²	54	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-42.8	174.3	-174.6	-179.5	-134.9	0	0	111.9	Y459 T462 L512 H513	Y459-E516 HydrophobicContact CE1-CB 4.37Å; T462-E516 HydrophobicContact CG2-CB 3.89Å; T462-E516 HydrophobicContact CG2-CG 4.24Å; L512-E516 WeakPolarHBondContact O-CB 3.45Å; L512-E516 PolarHBondContact O-N 2.82Å; H513-E516 PolarHBondContact O-N 3.06Å
517	R	89.7	Confident	87.7	Confident	216 Å²	216	54.7 Å²	54.7	82%	0.815	26%	0.255	S	S	*	.	H	α-helix	trans	-70.6	-34.8	175.7	-69.4	176.9	179.8	-171.7	-0.1	112.8	H513	H513-R517 WeakPolarHBondContact O-CG 3.24Å; H513-R517 PolarHBondContact O-N 2.65Å; H513-R517 VanDerWaalsContact O-N 3.12Å
518	N	88.8	Confident	87.5	Confident	48 Å²	48	58.4 Å²	58.4	26%	0.257	27%	0.271	S	S	.	.			trans	-141.9	99.9	178.6	177.5	-0.7	0	0	0	109.7	E514 I515 M520 H521 E524	E514-N518 PolarHBondContact O-N 3.16Å; I515-N518 WeakPolarHBondContact CA-O 3.45Å; I515-N518 CarbonylContact O-C 3.59Å; N518-M520 PolarHBondContact O-N 2.94Å; N518-M520 WeakPolarHBondContact OD1-CA 3.46Å; N518-M520 WeakPolarHBondContact OD1-CB 3.34Å; N518-M520 PolarHBondContact OD1-N 3.32Å; N518-H521 HydrophobicContact CB-CB 4.27Å; N518-H521 VanDerWaalsContact O-CB 3.24Å; N518-H521 WeakPolarHBondContact O-CB 3.47Å; N518-H521 PolarHBondContact O-N 3.01Å; N518-H521 PolarHBondContact OD1-N 3.5Å; N518-E524 PolarHBondContact ND2-OE2 3.49Å
519	P	87.7	Confident	87	Confident	33 Å²	33	63 Å²	63	21%	0.214	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.3	-178.3	24.7	-34	0	0	0	113.2	A466 L469 Y483 I515	A466-P519 HydrophobicContact CB-CB 4.05Å; L469-P519 HydrophobicContact CD1-CB 3.83Å; L469-P519 HydrophobicContact CD1-CG 3.59Å; Y483-P519 PolarHBondContact OH-O 2.65Å; I515-P519 VanDerWaalsContact O-CA 3.23Å; I515-P519 WeakPolarHBondContact O-CA 3.38Å; I515-P519 VanDerWaalsContact O-N 3.11Å
520	M	85.8	Confident	86.3	Confident	25 Å²	25	65.1 Å²	65.1	12%	0.123	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.9	176.1	-59	-59.2	-63.8	0	0	113.7	L469 N518 L522 V523 E524	L469-M520 HydrophobicContact CB-SD 4.04Å; N518-M520 PolarHBondContact O-N 2.94Å; N518-M520 WeakPolarHBondContact OD1-CA 3.46Å; N518-M520 WeakPolarHBondContact OD1-CB 3.34Å; N518-M520 PolarHBondContact OD1-N 3.32Å; M520-L522 VanDerWaalsContact C-N 3.34Å; M520-L522 PolarHBondContact O-N 3.32Å; M520-L522 VanDerWaalsContact O-N 3.16Å; M520-V523 HydrophobicContact CE-CB 3.94Å; M520-V523 HydrophobicContact CE-CG1 4.08Å; M520-V523 HydrophobicContact CE-CG2 3.68Å; M520-V523 WeakPolarHBondContact O-CA 3.42Å; M520-V523 VanDerWaalsContact O-CB 3.3Å; M520-V523 WeakPolarHBondContact O-CB 3.32Å; M520-V523 PolarHBondContact O-N 2.94Å; M520-E524 PolarHBondContact O-N 3.21Å
521	H	88	Confident	85.7	Confident	53 Å²	53	63.3 Å²	63.3	25%	0.245	30%	0.3	C	S	.	.	H	α-helix	trans	-52.3	-41.5	-171.6	-176.5	-120.5	0	0	0	114.7	Y483 E514 I515 N518 V523 E524 E525	Y483-H521 PolarHBondContact OH-N 3.33Å; E514-H521 IonicContact OE2-CE1 2.7Å; E514-H521 PolarHBondContact OE2-CE1 2.97Å; E514-H521 VanDerWaalsContact OE2-CE1 3.23Å; E514-H521 IonicContact OE2-ND1 2.96Å; I515-H521 HydrophobicContact CG1-CB 4.47Å; N518-H521 HydrophobicContact CB-CB 4.27Å; N518-H521 VanDerWaalsContact O-CB 3.24Å; N518-H521 WeakPolarHBondContact O-CB 3.47Å; N518-H521 PolarHBondContact O-N 3.01Å; N518-H521 PolarHBondContact OD1-N 3.5Å; H521-V523 VanDerWaalsContact C-N 3.31Å; H521-V523 PolarHBondContact O-N 2.95Å; H521-E524 PolarHBondContact O-N 3.45Å; H521-E525 WeakPolarHBondContact O-CB 3.44Å; H521-E525 PolarHBondContact O-N 3.47Å
522	L	85.8	Confident	85	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-71.7	-25.2	177.1	-66.9	177.1	0	0	0	113	C479 K482 Y483 L511 I515 M520 H526	C479-L522 HydrophobicContact CB-CB 4.48Å; C479-L522 PolarHBondContact SG-O 3.03Å; K482-L522 HydrophobicContact CB-CD1 3.98Å; Y483-L522 HydrophobicContact CD1-CD1 3.97Å; Y483-L522 HydrophobicContact CD2-CD1 4.22Å; Y483-L522 HydrophobicContact CE1-CB 4.4Å; Y483-L522 HydrophobicContact CE1-CD1 3.87Å; Y483-L522 HydrophobicContact CE1-CG 4.23Å; Y483-L522 HydrophobicContact CE2-CB 3.76Å; Y483-L522 HydrophobicContact CE2-CD1 4.09Å; Y483-L522 HydrophobicContact CE2-CG 4.38Å; Y483-L522 HydrophobicContact CG-CD1 4.15Å; Y483-L522 PolarHBondContact OH-N 3.32Å; L511-L522 HydrophobicContact CD1-CD2 3.97Å; I515-L522 HydrophobicContact CD1-CD1 4.14Å; I515-L522 HydrophobicContact CD1-CG 4.28Å; M520-L522 VanDerWaalsContact C-N 3.34Å; M520-L522 PolarHBondContact O-N 3.32Å; M520-L522 VanDerWaalsContact O-N 3.16Å; L522-H526 VanDerWaalsContact O-CB 3.28Å; L522-H526 WeakPolarHBondContact O-CB 3.34Å; L522-H526 PolarHBondContact O-N 3.43Å; L522-H526 VanDerWaalsContact O-N 3.12Å
523	V	84.4	Confident	83.9	Confident	17 Å²	17	69.3 Å²	69.3	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-74.6	-41.7	174.5	-170.4	0	0	0	0	109.9	A470 A476 C479 Y483 M520 H521 H526 L527	A470-V523 HydrophobicContact CB-CG2 4.39Å; A476-V523 HydrophobicContact CB-CB 4.39Å; A476-V523 HydrophobicContact CB-CG1 3.76Å; A476-V523 HydrophobicContact CB-CG2 3.65Å; C479-V523 HydrophobicContact CB-CG2 3.88Å; Y483-V523 HydrophobicContact CE2-CG2 4.1Å; M520-V523 HydrophobicContact CE-CB 3.94Å; M520-V523 HydrophobicContact CE-CG1 4.08Å; M520-V523 HydrophobicContact CE-CG2 3.68Å; M520-V523 WeakPolarHBondContact O-CA 3.42Å; M520-V523 VanDerWaalsContact O-CB 3.3Å; M520-V523 WeakPolarHBondContact O-CB 3.32Å; M520-V523 PolarHBondContact O-N 2.94Å; H521-V523 VanDerWaalsContact C-N 3.31Å; H521-V523 PolarHBondContact O-N 2.95Å; V523-H526 PolarHBondContact O-N 3.31Å; V523-L527 WeakPolarHBondContact O-CB 3.46Å; V523-L527 PolarHBondContact O-N 3.09Å
524	E	84	Confident	83	Confident	111 Å²	111	70.4 Å²	70.4	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-66.9	-43.6	175.1	-163.1	167.6	179.8	0	0	111.6	N518 M520 H521 H526 L527 Q528	N518-E524 PolarHBondContact ND2-OE2 3.49Å; M520-E524 PolarHBondContact O-N 3.21Å; H521-E524 PolarHBondContact O-N 3.45Å; E524-H526 VanDerWaalsContact C-N 3.27Å; E524-H526 PolarHBondContact O-N 2.86Å; E524-L527 PolarHBondContact O-N 3.38Å; E524-Q528 VanDerWaalsContact O-CB 3.22Å; E524-Q528 WeakPolarHBondContact O-CB 3.42Å; E524-Q528 PolarHBondContact O-N 3.43Å
525	E	83.9	Confident	81.8	Confident	34 Å²	34	70.5 Å²	70.5	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-57.1	-39.3	170.9	-166.9	-151.1	-161.9	0	0	111.8	K482 H521 R529 N621	K482-E525 IonicContact NZ-OE2 3.18Å; H521-E525 WeakPolarHBondContact O-CB 3.44Å; H521-E525 PolarHBondContact O-N 3.47Å; E525-R529 WeakPolarHBondContact O-CB 3.3Å; E525-R529 WeakPolarHBondContact O-CG 3.27Å; E525-R529 PolarHBondContact O-N 2.8Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 IonicContact OE1-CZ 3.98Å; E525-R529 IonicContact OE1-NH1 3.15Å; E525-R529 PolarHBondContact OE1-NH1 3.29Å; E525-R529 IonicContact OE1-NH2 2.65Å; E525-R529 PolarHBondContact OE1-NH2 2.82Å; E525-R529 IonicContact OE2-CZ 3.16Å; E525-R529 IonicContact OE2-NH1 3.96Å; E525-R529 PolarHBondContact OE2-NH1 3.43Å; E525-N621 PolarHBondContact OE1-ND2 3.02Å
526	H	83.5	Confident	80.3	Confident	66 Å²	66	74.5 Å²	74.5	31%	0.306	38%	0.377	S	S	.	.	H	α-helix	trans	-73.4	-45.6	178.9	-173.8	57.5	0	0	0	112.4	C479 L522 V523 E524 R529 Q530	C479-H526 WeakPolarHBondContact SG-CB 3.31Å; C479-H526 VanDerWaalsContact SG-CG 3.56Å; L522-H526 VanDerWaalsContact O-CB 3.28Å; L522-H526 WeakPolarHBondContact O-CB 3.34Å; L522-H526 PolarHBondContact O-N 3.43Å; L522-H526 VanDerWaalsContact O-N 3.12Å; V523-H526 PolarHBondContact O-N 3.31Å; E524-H526 VanDerWaalsContact C-N 3.27Å; E524-H526 PolarHBondContact O-N 2.86Å; H526-R529 CarbonylContact O-C 3.59Å; H526-R529 PolarHBondContact O-N 3.18Å; H526-Q530 WeakPolarHBondContact O-CB 3.49Å; H526-Q530 PolarHBondContact O-N 3.03Å
527	L	82.2	Confident	78.5	Confident	97 Å²	97	75.5 Å²	75.5	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-42.3	177.7	-172.6	64.2	0	0	0	111.1	V523 E524 R529 Q530 A531	V523-L527 WeakPolarHBondContact O-CB 3.46Å; V523-L527 PolarHBondContact O-N 3.09Å; E524-L527 PolarHBondContact O-N 3.38Å; L527-R529 VanDerWaalsContact C-N 3.32Å; L527-R529 PolarHBondContact O-N 2.86Å; L527-Q530 PolarHBondContact O-N 2.8Å; L527-A531 WeakPolarHBondContact O-CB 3.13Å; L527-A531 PolarHBondContact O-N 3.41Å
528	Q	82.7	Confident	76.8	Confident	133 Å²	133	70 Å²	70	62%	0.621	38%	0.379	S	S	*	.	H	α-helix	trans	-62	-38.1	174.2	-164.5	70.5	13	0	0	111.8	E524 K532	E524-Q528 VanDerWaalsContact O-CB 3.22Å; E524-Q528 WeakPolarHBondContact O-CB 3.42Å; E524-Q528 PolarHBondContact O-N 3.43Å; Q528-K532 WeakPolarHBondContact O-CB 3.33Å; Q528-K532 PolarHBondContact O-N 3.29Å
529	R	78.3	Confident	75	Confident	101 Å²	101	71.4 Å²	71.4	38%	0.381	39%	0.393	S	S	.	.	H	α-helix	trans	-70.1	-38.4	172.5	-80.2	-166.6	-172.9	110.7	7.9	112.9	E525 H526 L527 K532 A533 T617	E525-R529 WeakPolarHBondContact O-CB 3.3Å; E525-R529 WeakPolarHBondContact O-CG 3.27Å; E525-R529 PolarHBondContact O-N 2.8Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 IonicContact OE1-CZ 3.98Å; E525-R529 IonicContact OE1-NH1 3.15Å; E525-R529 PolarHBondContact OE1-NH1 3.29Å; E525-R529 IonicContact OE1-NH2 2.65Å; E525-R529 PolarHBondContact OE1-NH2 2.82Å; E525-R529 IonicContact OE2-CZ 3.16Å; E525-R529 IonicContact OE2-NH1 3.96Å; E525-R529 PolarHBondContact OE2-NH1 3.43Å; H526-R529 CarbonylContact O-C 3.59Å; H526-R529 PolarHBondContact O-N 3.18Å; L527-R529 VanDerWaalsContact C-N 3.32Å; L527-R529 PolarHBondContact O-N 2.86Å; R529-K532 PolarHBondContact O-N 3.38Å; R529-A533 WeakPolarHBondContact O-CB 3.34Å; R529-A533 PolarHBondContact O-N 2.85Å; R529-T617 PolarHBondContact NH2-OG1 3.14Å
530	Q	76.1	Confident	72.9	Confident	97 Å²	97	78 Å²	78	45%	0.453	42%	0.421	S	S	.	.	H	α-helix	trans	-67.6	-40.6	178.7	-165	174.5	16.7	0	0	110.9	H526 L527 A533 N534	H526-Q530 WeakPolarHBondContact O-CB 3.49Å; H526-Q530 PolarHBondContact O-N 3.03Å; L527-Q530 PolarHBondContact O-N 2.8Å; Q530-A533 PolarHBondContact O-N 2.84Å; Q530-N534 WeakPolarHBondContact O-CB 3.47Å; Q530-N534 VanDerWaalsContact O-CG 3.23Å; Q530-N534 PolarHBondContact O-N 2.98Å; Q530-N534 PolarHBondContact O-OD1 3.45Å
531	A	76.1	Confident	70.5	Confident	56 Å²	56	80.2 Å²	80.2	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-46.7	169.7	0	0	0	0	0	111.9	L527 A533 N534 A535	L527-A531 WeakPolarHBondContact O-CB 3.13Å; L527-A531 PolarHBondContact O-N 3.41Å; A531-A533 PolarHBondContact O-N 3.23Å; A531-N534 PolarHBondContact O-N 2.9Å; A531-A535 WeakPolarHBondContact O-CB 3.3Å; A531-A535 PolarHBondContact O-N 3.39Å
532	K	75	Confident	68.1	Low	94 Å²	94	84 Å²	84	41%	0.409	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-33.3	177.6	-165.3	168.9	-177.6	177.3	0	112.9	Q528 R529 T536 N611 H612	Q528-K532 WeakPolarHBondContact O-CB 3.33Å; Q528-K532 PolarHBondContact O-N 3.29Å; R529-K532 PolarHBondContact O-N 3.38Å; K532-T536 PolarHBondContact O-N 3.48Å; K532-T536 VanDerWaalsContact O-N 3.14Å; K532-T536 PolarHBondContact O-OG1 3.12Å; K532-N611 PolarHBondContact NZ-O 3.4Å; K532-H612 PolarHBondContact NZ-CD2 3.4Å; K532-H612 PolarHBondContact NZ-CE1 2.87Å; K532-H612 PolarHBondContact NZ-NE2 3.12Å
533	A	71.3	Confident	65.8	Low	46 Å²	46	88.9 Å²	88.9	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-67.1	-48.9	173.3	0	0	0	0	0	111.1	R529 Q530 A531 A535 T536 I537	R529-A533 WeakPolarHBondContact O-CB 3.34Å; R529-A533 PolarHBondContact O-N 2.85Å; Q530-A533 PolarHBondContact O-N 2.84Å; A531-A533 PolarHBondContact O-N 3.23Å; A533-A535 VanDerWaalsContact C-N 3.33Å; A533-A535 PolarHBondContact O-N 2.97Å; A533-T536 WeakPolarHBondContact O-CB 3.38Å; A533-T536 PolarHBondContact O-N 2.86Å; A533-I537 WeakPolarHBondContact O-CG1 3.24Å; A533-I537 PolarHBondContact O-N 3.15Å
534	N	70.1	Confident	63.6	Low	95 Å²	95	93.3 Å²	93.3	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-40.4	178.4	-69.6	-2.8	0	0	0	112	Q530 A531 T536 I537 S538	Q530-N534 WeakPolarHBondContact O-CB 3.47Å; Q530-N534 VanDerWaalsContact O-CG 3.23Å; Q530-N534 PolarHBondContact O-N 2.98Å; Q530-N534 PolarHBondContact O-OD1 3.45Å; A531-N534 PolarHBondContact O-N 2.9Å; N534-T536 VanDerWaalsContact C-N 3.3Å; N534-T536 PolarHBondContact O-N 2.86Å; N534-I537 PolarHBondContact O-N 2.61Å; N534-S538 PolarHBondContact O-N 3.05Å; N534-S538 PolarHBondContact O-OG 2.94Å
535	A	65.3	Low	61.4	Low	55 Å²	55	93.5 Å²	93.5	46%	0.455	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-29.9	174.1	0	0	0	0	0	113.7	A531 A533 S538 S539	A531-A535 WeakPolarHBondContact O-CB 3.3Å; A531-A535 PolarHBondContact O-N 3.39Å; A533-A535 VanDerWaalsContact C-N 3.33Å; A533-A535 PolarHBondContact O-N 2.97Å; A535-S538 WeakPolarHBondContact CA-OG 3.43Å; A535-S538 PolarHBondContact O-OG 3.5Å; A535-S539 PolarHBondContact O-OG 3.29Å
536	T	57.4	Low	59.1	Low	83 Å²	83	97.8 Å²	97.8	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-75.6	-36.7	173.9	-51.3	0	0	0	0	111.1	K532 A533 N534 S539	K532-T536 PolarHBondContact O-N 3.48Å; K532-T536 VanDerWaalsContact O-N 3.14Å; K532-T536 PolarHBondContact O-OG1 3.12Å; A533-T536 WeakPolarHBondContact O-CB 3.38Å; A533-T536 PolarHBondContact O-N 2.86Å; N534-T536 VanDerWaalsContact C-N 3.3Å; N534-T536 PolarHBondContact O-N 2.86Å; T536-S539 PolarHBondContact O-N 3.42Å; T536-S539 PolarHBondContact O-OG 3.42Å
537	I	53.7	Low	56.9	Low	122 Å²	122	99.9 Å²	99.9	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-70.1	-40.8	177.3	-67.5	164.5	0	0	0	110.8	A533 N534 S539 H540	A533-I537 WeakPolarHBondContact O-CG1 3.24Å; A533-I537 PolarHBondContact O-N 3.15Å; N534-I537 PolarHBondContact O-N 2.61Å; I537-S539 PolarHBondContact O-N 2.96Å; I537-S539 VanDerWaalsContact O-N 3.15Å; I537-H540 PolarHBondContact O-N 3.34Å
538	S	52.5	Low	54.7	Low	101 Å²	101	100.1 Å²	100.1	71%	0.706	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-4.1	176.8	63.6	0	0	0	0	114.4	N534 A535	N534-S538 PolarHBondContact O-N 3.05Å; N534-S538 PolarHBondContact O-OG 2.94Å; A535-S538 WeakPolarHBondContact CA-OG 3.43Å; A535-S538 PolarHBondContact O-OG 3.5Å
539	S	50.9	Low	52.3	Low	78 Å²	78	98.7 Å²	98.7	55%	0.545	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.4	7.9	178.7	51	0	0	0	0	114.2	A535 T536 I537	A535-S539 PolarHBondContact O-OG 3.29Å; T536-S539 PolarHBondContact O-N 3.42Å; T536-S539 PolarHBondContact O-OG 3.42Å; I537-S539 PolarHBondContact O-N 2.96Å; I537-S539 VanDerWaalsContact O-N 3.15Å
540	H	43.7	Very low	50.1	Low	172 Å²	172	99.4 Å²	99.4	80%	0.796	64%	0.642	S	S	*	*			trans	-128.2	68.8	170.8	-90.6	36.5	0	0	0	110.6	I537	I537-H540 PolarHBondContact O-N 3.34Å
541	G	35.5	Very low	47.8	Very low	70 Å²	70	101.2 Å²	101.2	72%	0.722	66%	0.655	S	S	*	*			trans	-114	18.9	-168.9	0	0	0	0	0	116.9
542	T	38.4	Very low	45.5	Very low	134 Å²	134	104.4 Å²	104.4	82%	0.822	67%	0.668	S	S	*	*			trans	-145.8	136.2	176.5	33.4	0	0	0	0	113.2
543	S	36.2	Very low	43.4	Very low	104 Å²	104	104.5 Å²	104.5	73%	0.727	68%	0.681	S	S	*	*			trans	-1.1	146.3	146	50.5	0	0	0	0	119.5
544	S	39.7	Very low	41.4	Very low	110 Å²	110	111.6 Å²	111.6	77%	0.769	70%	0.703	S	S	*	*			cis	-170	172.1	0.3	41.5	0	0	0	0	112
545	S	36.7	Very low	39.5	Very low	115 Å²	115	114.2 Å²	114.2	80%	0.804	72%	0.723	S	S	*	*			trans	-52.2	134.1	176.3	51.6	0	0	0	0	117.2
546	S	36.6	Very low	37.8	Very low	124 Å²	124	117.5 Å²	117.5	87%	0.867	74%	0.742	S	S	*	*			trans	-162	149.5	136.5	56.2	0	0	0	0	111.2
547	S	35.8	Very low	36.6	Very low	111 Å²	111	117.5 Å²	117.5	78%	0.776	75%	0.751	S	S	*	*			trans	-100	-172.5	-176.2	52.2	0	0	0	0	113.6
548	S	36.4	Very low	35.7	Very low	102 Å²	102	120.4 Å²	120.4	71%	0.713	77%	0.766	S	S	*	*			trans	76.1	101.2	166.8	68.8	0	0	0	0	119.5
549	S	32.8	Very low	34.8	Very low	103 Å²	103	118.7 Å²	118.7	72%	0.72	76%	0.764	S	S	*	*				51.6	147.8	124.8	58.2	0	0	0	0	123.8
550	T	31.2	Very low	34	Very low	115 Å²	115	123.4 Å²	123.4	71%	0.706	78%	0.777	S	S	*	*			trans	70.6	116.7	158.2	42.7	0	0	0	0	120.3
551	N	29.1	Very low	33.4	Very low	136 Å²	136	122.6 Å²	122.6	73%	0.727	78%	0.776	S	S	*	*			trans	67.7	123.6	133.5	-61.4	-4.1	0	0	0	121.6
552	T	27.9	Very low	33.3	Very low	122 Å²	122	128.2 Å²	128.2	75%	0.748	78%	0.783	S	S	*	*			trans	65	117	136.7	54.9	0	0	0	0	121.2
553	S	30.5	Very low	33.1	Very low	96 Å²	96	126 Å²	126	67%	0.671	77%	0.773	S	S	*	*				81.5	123.3	128.1	-61.2	0	0	0	0	121.1
554	K	29.7	Very low	33	Very low	196 Å²	196	128.7 Å²	128.7	85%	0.852	77%	0.774	S	S	*	*			trans	48.3	102.8	133.8	-58.5	178.5	-180	179.3	0	118.3
555	T	30.2	Very low	32.6	Very low	149 Å²	149	130.9 Å²	130.9	91%	0.914	77%	0.77	S	S	*	*			trans	-158.8	131.2	130.2	16.6	0	0	0	0	111.7
556	S	28.2	Very low	32.4	Very low	124 Å²	124	132.2 Å²	132.2	87%	0.867	76%	0.763	S	S	*	*			trans	-149.3	112.8	155.1	51.2	0	0	0	0	109
557	A	32.7	Very low	32.4	Very low	83 Å²	83	132 Å²	132	69%	0.686	75%	0.753	S	S	*	*			trans	-164.7	156	177.7	0	0	0	0	0	109.1
558	I	34.1	Very low	32.4	Very low	183 Å²	183	130.7 Å²	130.7	94%	0.938	74%	0.743	S	S	*	*			trans	68.6	135.7	178.6	-44.5	159.6	0	0	0	112.4
559	G	33.9	Very low	32.4	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	74%	0.744	S	S	*	*			cis	-155.8	141.7	-10.8	0	0	0	0	0	108.1
560	H	35.3	Very low	32.6	Very low	177 Å²	177	135.2 Å²	135.2	82%	0.819	74%	0.742	S	S	*	*				87.5	99.9	73.2	-157.2	75.3	0	0	0	113.9
561	M	30.2	Very low	32.9	Very low	156 Å²	156	136.9 Å²	136.9	77%	0.768	74%	0.742	S	S	*	*			trans	51.3	108.9	143.1	-61.7	-76.7	-77.2	0	0	120.5
562	Q	33.1	Very low	33.2	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	74%	0.741	S	S	*	*				-170.8	154.8	122.3	-110.6	178.5	0.9	0	0	116.1
563	S	34.3	Very low	33.6	Very low	88 Å²	88	136.3 Å²	136.3	62%	0.615	74%	0.736	S	S	*	*			trans	12.9	159.3	139.1	-65.2	0	0	0	0	123.3
564	Q	33.6	Very low	33.9	Very low	161 Å²	161	139.9 Å²	139.9	75%	0.752	74%	0.742	S	S	*	*			cis	-170.4	159.9	-17.5	-108.1	-177.8	29.8	0	0	109.2
565	K	31.6	Very low	34.1	Very low	156 Å²	156	137.7 Å²	137.7	68%	0.678	74%	0.735	S	S	*	*			trans	43.5	135.7	146.3	-75.6	-177.2	129.6	-145.8	0	122.8
566	Q	34.3	Very low	34.2	Very low	142 Å²	142	134.8 Å²	134.8	66%	0.664	72%	0.721	S	S	*	*			trans	68	158.9	142.4	-67.7	-179.4	-103.2	0	0	116.1
567	D	35.8	Very low	34.5	Very low	121 Å²	121	137.3 Å²	137.3	65%	0.647	72%	0.719	S	S	*	*			cis	-162.9	170	-11.2	-121.1	-51	0	0	0	107.1
568	S	35.2	Very low	34.4	Very low	83 Å²	83	141.1 Å²	141.1	58%	0.58	73%	0.727	S	S	*	*			cis	-163.9	178.3	-3.5	-148.7	0	0	0	0	111.1
569	Q	36.1	Very low	34.5	Very low	156 Å²	156	137.4 Å²	137.4	73%	0.729	72%	0.715	S	S	*	*			trans	67.5	157.1	161.3	-64.2	179.2	45.6	0	0	117.6
570	Q	37.2	Very low	34.4	Very low	143 Å²	143	144.5 Å²	144.5	67%	0.668	72%	0.722	S	S	*	*			cis	-150.8	123.3	15.6	-153.2	166.6	80	0	0	114.2
571	Q	37.4	Very low	34.4	Very low	151 Å²	151	142.6 Å²	142.6	71%	0.706	71%	0.712	S	S	*	*			trans	61.1	154.5	151.8	-63.9	-176.8	50.7	0	0	119.9
572	Q	37.1	Very low	34.6	Very low	151 Å²	151	142.2 Å²	142.2	71%	0.706	71%	0.709	S	S	*	*			cis	-154.1	139.5	6.4	-141.9	174.5	45.7	0	0	112.4
573	S	34.9	Very low	34.6	Very low	94 Å²	94	140.2 Å²	140.2	66%	0.657	70%	0.703	S	S	*	*			trans	54	149.5	157	53.7	0	0	0	0	121.4
574	Q	36.7	Very low	34.6	Very low	171 Å²	171	141.7 Å²	141.7	80%	0.799	70%	0.704	S	S	*	*			cis	-171.5	164.4	-9	-97.8	170.9	131.5	0	0	106
575	Q	33.6	Very low	34.9	Very low	150 Å²	150	140.8 Å²	140.8	70%	0.701	70%	0.7	S	S	*	*			cis	-176.8	136.9	-23.7	171.2	173.3	-4.1	0	0	109.9
576	S	33.9	Very low	35.1	Very low	88 Å²	88	140.2 Å²	140.2	62%	0.615	70%	0.7	S	S	*	*			trans	66.5	155.4	167.9	-63.7	0	0	0	0	118.8
577	Q	34.2	Very low	35.2	Very low	178 Å²	178	138.5 Å²	138.5	83%	0.832	70%	0.704	S	S	*	*			cis	-159	169.5	-14.8	-111.2	167.8	59.4	0	0	111.3
578	L	30.1	Very low	35.2	Very low	163 Å²	163	137.1 Å²	137.1	85%	0.853	70%	0.703	S	S	*	*			trans	-101	-164.4	172.1	-66.9	101.3	0	0	0	110.1
579	P	36.5	Very low	35.3	Very low	104 Å²	104	141.9 Å²	141.9	68%	0.675	72%	0.716	S	S	*	*			cis	-148.3	167.3	1.5	44.8	-24.4	0	0	0	121
580	R	31.8	Very low	35.2	Very low	215 Å²	215	138 Å²	138	81%	0.811	71%	0.707	S	S	*	*			trans	51.4	159.7	138.5	-76.4	-175.9	160.8	165.5	-4.6	126
581	H	34	Very low	35.1	Very low	136 Å²	136	139 Å²	139	63%	0.63	71%	0.711	S	S	*	*			trans	104.6	144.3	152	-58.7	-67	0	0	0	118
582	H	36.2	Very low	35	Very low	148 Å²	148	136.4 Å²	136.4	69%	0.685	71%	0.709	S	S	*	*			cis	-170.2	158.5	-18.4	-115	-168.9	0	0	0	115
583	L	33	Very low	34.9	Very low	145 Å²	145	135.6 Å²	135.6	76%	0.759	71%	0.714	S	S	*	*			trans	62	170	159.5	-84.5	76.9	0	0	0	120.8
584	N	34.2	Very low	35	Very low	120 Å²	120	137 Å²	137	64%	0.642	72%	0.721	S	S	*	*			cis	-176.8	152.8	-47.7	-164.6	19.7	0	0	0	114
585	Q	38.3	Very low	34.8	Very low	141 Å²	141	133.6 Å²	133.6	66%	0.659	72%	0.722	S	S	*	*			trans	67	161.3	159.1	-81.2	178.8	134.2	0	0	120
586	Q	36.9	Very low	34.8	Very low	145 Å²	145	131 Å²	131	68%	0.678	72%	0.721	S	S	*	*			cis	-159.8	159.8	7	-134.7	162.3	18.8	0	0	115.2
587	S	35.6	Very low	34.6	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	73%	0.73	S	S	*	*			trans	62.5	152	150.7	47	0	0	0	0	122.5
588	S	37.1	Very low	34.5	Very low	91 Å²	91	133.5 Å²	133.5	64%	0.636	73%	0.728	S	S	*	*			cis	-172.8	154.7	-9.3	45.4	0	0	0	0	115.4
589	Q	36.2	Very low	34.6	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	73%	0.725	S	S	*	*			trans	66.2	156.4	149.4	-74.7	166.8	-2.7	0	0	121.3
590	S	34.9	Very low	34.3	Very low	76 Å²	76	137.6 Å²	137.6	53%	0.531	73%	0.73	S	S	.	*			cis	-166.7	139.1	-34.8	44	0	0	0	0	109.8
591	H	35.5	Very low	34.3	Very low	163 Å²	163	135.5 Å²	135.5	76%	0.755	73%	0.73	S	S	*	*				162.6	126.2	105.4	-82.8	-69	0	0	0	107.7
592	S	34.3	Very low	33.9	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	73%	0.732	S	S	*	*				66.8	127.5	71.6	72	0	0	0	0	114.5
593	V	34.5	Very low	33.6	Very low	133 Å²	133	133.3 Å²	133.3	81%	0.806	74%	0.74	S	S	*	*			cis	-149.6	153.9	28.8	175.9	0	0	0	0	113
594	P	38.1	Very low	33.3	Very low	124 Å²	124	132 Å²	132	81%	0.805	74%	0.738	S	S	*	*			trans	-129.3	172.3	-177	43.9	-31.1	0	0	0	118.3
595	A	31.8	Very low	33	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	74%	0.744	S	S	*	*			trans	-165.2	152.9	161.2	0	0	0	0	0	111.5
596	S	33.4	Very low	32.5	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	75%	0.746	S	S	*	*			cis	-168.8	133.3	-17.6	55	0	0	0	0	113.6
597	N	30.6	Very low	32	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	75%	0.754	S	S	*	*			trans	38.3	145.9	144.8	-54.3	-34.1	0	0	0	122.4
598	Q	32.2	Very low	31.6	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	76%	0.757	S	S	*	*			cis	-144.7	165.8	12.3	-59.6	172	81.6	0	0	109.4
599	Q	30.4	Very low	30.9	Very low	172 Å²	172	137 Å²	137	80%	0.804	76%	0.762	S	S	*	*			cis	101.2	63.9	5.5	-152.6	-176.1	30.2	0	0	119.7
600	K	31.6	Very low	30.6	Very low	181 Å²	181	135.9 Å²	135.9	79%	0.787	76%	0.761	S	S	*	*			trans	-154.8	145.6	158.6	-74.8	-165.1	163	-177	0	110.6
601	H	31.5	Very low	30.1	Very low	171 Å²	171	138.9 Å²	138.9	79%	0.792	77%	0.771	S	S	*	*			cis	-151.2	164.9	-16.6	-116.6	-69.8	0	0	0	108.9
602	S	26.1	Very low	29.6	Very low	98 Å²	98	136 Å²	136	69%	0.685	76%	0.758	S	S	*	*			trans	-128.7	154.6	175.7	175.7	0	0	0	0	110.6
603	T	29.3	Very low	29.2	Very low	140 Å²	140	142 Å²	142	86%	0.859	77%	0.772	S	S	*	*			trans	-138.3	125.3	169.4	-55.6	0	0	0	0	110.4
604	V	27.3	Very low	28.9	Very low	117 Å²	117	141 Å²	141	71%	0.709	76%	0.758	S	S	*	*			trans	-103.8	161.5	169.4	178.8	0	0	0	0	107.9
605	I	27.7	Very low	28.3	Very low	150 Å²	150	138.4 Å²	138.4	77%	0.769	74%	0.74	S	S	*	*			trans	150.2	149.1	144	-78.1	154.7	0	0	0	111.8
606	S	27.7	Very low	28	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	73%	0.728	S	S	*	*			trans	61.3	122	174.7	43.1	0	0	0	0	116.1
607	Q	25.7	Very low	28.2	Very low	180 Å²	180	134.5 Å²	134.5	84%	0.841	70%	0.704	S	S	*	*				66.3	144.9	61	-65.5	-167	14.3	0	0	114.4
608	Q	26.6	Very low	28.6	Very low	174 Å²	174	131.9 Å²	131.9	81%	0.813	69%	0.693	S	S	*	*			trans	72.4	84.9	174.7	-56.7	-173.6	5.6	0	0	117
609	S	24	Very low	29.4	Very low	106 Å²	106	127.5 Å²	127.5	74%	0.741	68%	0.675	S	S	*	*				38.4	111.7	128.1	59.2	0	0	0	0	119.9
610	L	29.4	Very low	30.4	Very low	159 Å²	159	120.4 Å²	120.4	83%	0.832	64%	0.643	S	S	*	*			trans	-144.1	85.4	150.5	-118.9	165.2	0	0	0	112.7	H612	L610-H612 VanDerWaalsContact C-N 3.31Å; L610-H612 PolarHBondContact O-N 2.69Å
611	N	24.4	Very low	31.4	Very low	138 Å²	138	113 Å²	113	74%	0.738	61%	0.612	S	S	*	*			trans	-68.5	85.8	165.5	-88.6	-51	0	0	0	110.3	K532	K532-N611 PolarHBondContact NZ-O 3.4Å
612	H	25	Very low	32.7	Very low	104 Å²	104	108.5 Å²	108.5	48%	0.481	60%	0.596	S	S	.	*			trans	-176.4	121	147.5	-86.5	-14.6	0	0	0	111	K532 L610 Q614	K532-H612 PolarHBondContact NZ-CD2 3.4Å; K532-H612 PolarHBondContact NZ-CE1 2.87Å; K532-H612 PolarHBondContact NZ-NE2 3.12Å; L610-H612 VanDerWaalsContact C-N 3.31Å; L610-H612 PolarHBondContact O-N 2.69Å; H612-Q614 HydrophobicContact CB-CB 4.48Å; H612-Q614 PolarHBondContact CD2-OE1 2.87Å
613	F	26.3	Very low	34.2	Very low	223 Å²	223	104.4 Å²	104.4	98%	0.978	57%	0.567	S	S	*	*				-113.4	115.1	129.8	-120.2	-88	0	0	0	107.3
614	Q	28.3	Very low	35.9	Very low	110 Å²	110	98.1 Å²	98.1	51%	0.514	53%	0.528	S	S	.	.			trans	-94.8	112.6	-155.9	-167.6	166.7	-18.6	0	0	109.3	H612	H612-Q614 HydrophobicContact CB-CB 4.48Å; H612-Q614 PolarHBondContact CD2-OE1 2.87Å
615	V	25.6	Very low	37.3	Very low	70 Å²	70	96.1 Å²	96.1	42%	0.424	52%	0.519	S	S	.	.			trans	-50.5	141.7	165.1	176.2	0	0	0	0	107.8	T617	V615-T617 HydrophobicContact CB-CG2 4.13Å; V615-T617 HydrophobicContact CG1-CG2 4.14Å; V615-T617 PolarHBondContact O-N 2.94Å; V615-T617 PolarHBondContact O-OG1 3.39Å
616	P	24.4	Very low	38.1	Very low	85 Å²	85	93.5 Å²	93.5	55%	0.552	50%	0.504	S	S	*	.	S	Bend	trans	-64.7	46.6	176.2	-26.5	37.4	0	0	0	116	T618 N619	P616-T618 PolarHBondContact O-N 2.67Å; P616-N619 PolarHBondContact O-N 3.31Å
617	T	37.2	Very low	38.4	Very low	29 Å²	29	94.9 Å²	94.9	18%	0.178	50%	0.503	C	S	.	.	H	α-helix	trans	-57.4	-12.6	170.2	59.8	0	0	0	0	112.7	R529 V615 N619 N621	R529-T617 PolarHBondContact NH2-OG1 3.14Å; V615-T617 HydrophobicContact CB-CG2 4.13Å; V615-T617 HydrophobicContact CG1-CG2 4.14Å; V615-T617 PolarHBondContact O-N 2.94Å; V615-T617 PolarHBondContact O-OG1 3.39Å; T617-N619 VanDerWaalsContact C-N 3.31Å; T617-N619 PolarHBondContact O-N 3.33Å; T617-N621 VanDerWaalsContact O-CB 3.22Å; T617-N621 WeakPolarHBondContact O-CB 3.35Å; T617-N621 PolarHBondContact O-N 2.88Å; T617-N621 PolarHBondContact O-ND2 3.21Å
618	T	39.9	Very low	38.6	Very low	93 Å²	93	91.3 Å²	91.3	57%	0.571	49%	0.485	S	S	*	.	H	α-helix	trans	-59.7	-37.1	173.9	45.9	0	0	0	0	112.5	P616 T622	P616-T618 PolarHBondContact O-N 2.67Å; T618-T622 VanDerWaalsContact O-CB 3.31Å; T618-T622 WeakPolarHBondContact O-CB 3.39Å; T618-T622 PolarHBondContact O-N 2.96Å; T618-T622 PolarHBondContact O-OG1 3.24Å
619	N	48.2	Very low	38.6	Very low	78 Å²	78	90.5 Å²	90.5	42%	0.417	49%	0.486	S	S	.	.	H	α-helix	trans	-75.8	-51.3	178	-151.7	-75.4	0	0	0	110.9	Q504 P616 T617 T622 L623	Q504-N619 PolarHBondContact NE2-OD1 2.81Å; P616-N619 PolarHBondContact O-N 3.31Å; T617-N619 VanDerWaalsContact C-N 3.31Å; T617-N619 PolarHBondContact O-N 3.33Å; N619-T622 WeakPolarHBondContact O-CB 3.31Å; N619-T622 PolarHBondContact O-N 3.02Å; N619-L623 PolarHBondContact O-N 3.34Å; N619-L623 VanDerWaalsContact O-N 3.08Å
620	L	51.9	Low	38.7	Very low	22 Å²	22	89.7 Å²	89.7	12%	0.115	49%	0.486	C	S	.	.	H	α-helix	trans	-63.6	-46.1	178.7	-83.2	173	0	0	0	114.4	L507 I508 L511 T622 L623 L624	L507-L620 HydrophobicContact CB-CD1 3.86Å; L507-L620 HydrophobicContact CB-CD2 4.22Å; L507-L620 HydrophobicContact CB-CG 3.96Å; I508-L620 HydrophobicContact CG1-CD2 3.78Å; L511-L620 HydrophobicContact CB-CD1 4.16Å; L511-L620 HydrophobicContact CD2-CD1 4.32Å; L620-T622 VanDerWaalsContact C-N 3.26Å; L620-T622 PolarHBondContact O-N 2.68Å; L620-L623 PolarHBondContact O-N 3.49Å; L620-L624 WeakPolarHBondContact O-CG 3.43Å; L620-L624 PolarHBondContact O-N 3Å
621	N	53.7	Low	38.7	Very low	26 Å²	26	88.2 Å²	88.2	14%	0.139	49%	0.486	C	S	.	.	H	α-helix	trans	-68.5	-27.9	178	-84.3	-83.8	0	0	0	111.4	K482 E525 T617 S625	K482-N621 PolarHBondContact NZ-OD1 2.86Å; E525-N621 PolarHBondContact OE1-ND2 3.02Å; T617-N621 VanDerWaalsContact O-CB 3.22Å; T617-N621 WeakPolarHBondContact O-CB 3.35Å; T617-N621 PolarHBondContact O-N 2.88Å; T617-N621 PolarHBondContact O-ND2 3.21Å; N621-S625 WeakPolarHBondContact O-CB 3.49Å; N621-S625 PolarHBondContact O-N 2.9Å; N621-S625 PolarHBondContact O-OG 2.82Å
622	T	58.2	Low	38.5	Very low	76 Å²	76	87.5 Å²	87.5	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-63	-49.2	169.7	-62.5	0	0	0	0	110.2	T618 N619 L620 L624 S625 Q626	T618-T622 VanDerWaalsContact O-CB 3.31Å; T618-T622 WeakPolarHBondContact O-CB 3.39Å; T618-T622 PolarHBondContact O-N 2.96Å; T618-T622 PolarHBondContact O-OG1 3.24Å; N619-T622 WeakPolarHBondContact O-CB 3.31Å; N619-T622 PolarHBondContact O-N 3.02Å; L620-T622 VanDerWaalsContact C-N 3.26Å; L620-T622 PolarHBondContact O-N 2.68Å; T622-L624 PolarHBondContact O-N 3.02Å; T622-S625 PolarHBondContact O-N 3.08Å; T622-Q626 HydrophobicContact CG2-CG 4.45Å; T622-Q626 WeakPolarHBondContact O-CG 3.37Å; T622-Q626 PolarHBondContact O-N 3.22Å
623	L	57.9	Low	38.8	Very low	12 Å²	12	88.2 Å²	88.2	6%	0.063	51%	0.506	C	S	.	.	H	α-helix	trans	-61.8	-41.3	-179.7	-148.3	149.8	0	0	0	112.5	I489 V499 L500 Q504 N619 L620 S625	I489-L623 HydrophobicContact CD1-CD2 4.06Å; V499-L623 HydrophobicContact CG1-CD1 4.23Å; V499-L623 HydrophobicContact CG1-CD2 3.78Å; V499-L623 HydrophobicContact CG1-CG 3.82Å; L500-L623 HydrophobicContact CD2-CD1 3.65Å; L500-L623 HydrophobicContact CD2-CD2 3.93Å; L500-L623 HydrophobicContact CD2-CG 4.46Å; Q504-L623 HydrophobicContact CG-CD1 4.48Å; N619-L623 PolarHBondContact O-N 3.34Å; N619-L623 VanDerWaalsContact O-N 3.08Å; L620-L623 PolarHBondContact O-N 3.49Å; L623-S625 VanDerWaalsContact C-N 3.34Å; L623-S625 PolarHBondContact O-N 3.37Å
624	L	64.5	Low	38.8	Very low	8 Å²	8	85 Å²	85	4%	0.042	51%	0.505	C	S	.	.	H	α-helix	trans	-75.5	-16.7	174.7	-65.9	171.7	0	0	0	113.7	K485 L486 I489 L511 L620 T622	K485-L624 HydrophobicContact CB-CD2 4.22Å; K485-L624 WeakPolarHBondContact CD-O 3.44Å; K485-L624 PolarHBondContact NZ-O 3.39Å; L486-L624 HydrophobicContact CB-CD2 4.42Å; I489-L624 HydrophobicContact CD1-CD2 4.35Å; L511-L624 HydrophobicContact CD2-CD1 4.05Å; L620-L624 WeakPolarHBondContact O-CG 3.43Å; L620-L624 PolarHBondContact O-N 3Å; T622-L624 PolarHBondContact O-N 3.02Å
625	S	56.1	Low	38.8	Very low	75 Å²	75	83.2 Å²	83.2	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-97.1	-22.6	-179.9	-57.6	0	0	0	0	114	N621 T622 L623	N621-S625 WeakPolarHBondContact O-CB 3.49Å; N621-S625 PolarHBondContact O-N 2.9Å; N621-S625 PolarHBondContact O-OG 2.82Å; T622-S625 PolarHBondContact O-N 3.08Å; L623-S625 VanDerWaalsContact C-N 3.34Å; L623-S625 PolarHBondContact O-N 3.37Å
626	Q	45.1	Very low	38.8	Very low	95 Å²	95	85 Å²	85	44%	0.444	53%	0.527	S	S	.	.	S	Bend	trans	-63	141.4	173.7	-75.9	176.5	1	0	0	111.7	K485 T622 F628	K485-Q626 PolarHBondContact NZ-O 2.67Å; T622-Q626 HydrophobicContact CG2-CG 4.45Å; T622-Q626 WeakPolarHBondContact O-CG 3.37Å; T622-Q626 PolarHBondContact O-N 3.22Å; Q626-F628 HydrophobicContact CB-CE1 4.36Å; Q626-F628 HydrophobicContact CB-CE2 3.73Å; Q626-F628 HydrophobicContact CB-CZ 3.6Å
627	N	33	Very low	39.1	Very low	129 Å²	129	88 Å²	88	69%	0.69	54%	0.543	S	S	*	.			trans	-90.8	138.7	171.5	-70.9	-14.1	0	0	0	109.1
628	F	30.9	Very low	38.4	Very low	105 Å²	105	91.1 Å²	91.1	46%	0.461	56%	0.558	S	S	.	*			trans	-117.9	13.5	-176	-69.1	-69.3	0	0	0	113.6	V499 Q626	V499-F628 HydrophobicContact CB-CE1 4.34Å; V499-F628 HydrophobicContact CB-CZ 4.26Å; V499-F628 HydrophobicContact CG1-CE1 3.92Å; V499-F628 HydrophobicContact CG1-CE2 4.1Å; V499-F628 HydrophobicContact CG1-CZ 3.41Å; V499-F628 VanDerWaalsContact CG1-CZ 3.41Å; V499-F628 HydrophobicContact CG2-CD1 3.86Å; V499-F628 HydrophobicContact CG2-CE1 3.44Å; V499-F628 VanDerWaalsContact CG2-CE1 3.44Å; V499-F628 HydrophobicContact CG2-CE2 4.41Å; V499-F628 HydrophobicContact CG2-CZ 3.76Å; Q626-F628 HydrophobicContact CB-CE1 4.36Å; Q626-F628 HydrophobicContact CB-CE2 3.73Å; Q626-F628 HydrophobicContact CB-CZ 3.6Å
629	D	27.5	Very low	37.8	Very low	158 Å²	158	92.9 Å²	92.9	85%	0.845	56%	0.563	S	S	*	*			trans	-102.9	94.7	-176.7	-59.2	-69.6	0	0	0	112.5
630	A	26.3	Very low	36.9	Very low	89 Å²	89	96 Å²	96	74%	0.736	58%	0.575	S	S	*	*			trans	-165.6	122.1	155	0	0	0	0	0	110.3
631	P	28.8	Very low	35.9	Very low	127 Å²	127	101.5 Å²	101.5	83%	0.825	60%	0.6	S	S	*	*			trans	-68.3	149.2	172.3	-18.1	31.8	0	0	0	112.2	P633	P631-P633 VanDerWaalsContact O-CD 3.29Å; P631-P633 WeakPolarHBondContact O-CD 3.36Å
632	S	20.6	Very low	34.7	Very low	124 Å²	124	108.9 Å²	108.9	87%	0.867	63%	0.634	S	S	*	*			trans	-65.2	137.1	174	-59.3	0	0	0	0	112.6
633	P	30.3	Very low	33.3	Very low	119 Å²	119	109.2 Å²	109.2	77%	0.773	65%	0.653	S	S	*	*			trans	-109.8	137.1	138.7	33.5	-30.9	0	0	0	110.9	P631 G635	P631-P633 VanDerWaalsContact O-CD 3.29Å; P631-P633 WeakPolarHBondContact O-CD 3.36Å; P633-G635 PolarHBondContact O-N 2.81Å
634	T	27	Very low	32	Very low	155 Å²	155	115.3 Å²	115.3	95%	0.951	69%	0.69	S	S	*	*			trans	-70	119.2	176.7	-40	0	0	0	0	110.1
635	G	27.8	Very low	30.3	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	73%	0.726	S	S	*	*			trans	-163.4	129.9	178.3	0	0	0	0	0	112.3	P633	P633-G635 PolarHBondContact O-N 2.81Å
636	V	25.2	Very low	29.2	Very low	108 Å²	108	125.1 Å²	125.1	66%	0.655	74%	0.737	S	S	*	*			trans	-111.4	130.1	173.2	177.7	0	0	0	0	107.9
637	V	30.1	Very low	28.3	Very low	147 Å²	147	130.6 Å²	130.6	89%	0.891	75%	0.753	S	S	*	*			trans	-164.1	160.5	136.1	141.7	0	0	0	0	107.1
638	D	24.3	Very low	28.2	Very low	94 Å²	94	130.2 Å²	130.2	50%	0.503	76%	0.758	S	S	.	*			trans	-111.1	-167	-157.3	-148.1	-47.3	0	0	0	111.9	N433	N433-D638 VanDerWaalsContact ND2-CG 3.35Å; N433-D638 PolarHBondContact ND2-OD1 3.23Å; N433-D638 PolarHBondContact ND2-OD2 2.79Å
639	I	27.6	Very low	28.5	Very low	130 Å²	130	129.6 Å²	129.6	67%	0.667	77%	0.765	S	S	*	*			trans	87.2	111.2	149.5	-74.2	159.4	0	0	0	120
640	Q	29	Very low	28.7	Very low	143 Å²	143	128.1 Å²	128.1	67%	0.668	76%	0.762	S	S	*	*			trans	68.6	112.8	137.6	-69.4	-178.8	-104.4	0	0	124.8
641	Q	30.5	Very low	28.7	Very low	138 Å²	138	131.2 Å²	131.2	65%	0.645	76%	0.761	S	S	*	*				72.2	128.9	115.6	-67	172.3	4.1	0	0	123.1
642	Q	28.4	Very low	28.7	Very low	182 Å²	182	135 Å²	135	85%	0.85	77%	0.765	S	S	*	*			trans	60.8	119.7	136.6	-61.2	174.1	13.6	0	0	119.8
643	G	28.7	Very low	29	Very low	83 Å²	83	133.5 Å²	133.5	86%	0.856	75%	0.754	S	S	*	*			trans	-177.2	104.9	172.3	0	0	0	0	0	114.6
644	V	31.6	Very low	29.4	Very low	139 Å²	139	134 Å²	134	84%	0.842	76%	0.757	S	S	*	*			trans	-62.8	152	-175.4	172.4	0	0	0	0	115.4
645	H	27.4	Very low	29.7	Very low	174 Å²	174	131.4 Å²	131.4	81%	0.806	75%	0.752	S	S	*	*			trans	-8.7	166.3	150	-89.8	-82.3	0	0	0	120.8
646	P	33.4	Very low	29.7	Very low	116 Å²	116	131.4 Å²	131.4	75%	0.753	75%	0.752	S	S	*	*			cis	-141.2	-169.5	4.4	35.2	-11.4	0	0	0	117.5
647	R	25.8	Very low	30.2	Very low	209 Å²	209	134.7 Å²	134.7	79%	0.789	76%	0.764	S	S	*	*			trans	-68	162.3	171.1	-152.8	-166.3	-174.5	177.8	1.6	113.6
648	P	32.1	Very low	29.9	Very low	122 Å²	122	134.6 Å²	134.6	79%	0.792	76%	0.758	S	S	*	*				-142.7	-178.8	96.6	31.4	-11.1	0	0	0	114.9
649	P	35.5	Very low	30.4	Very low	91 Å²	91	134.9 Å²	134.9	59%	0.591	77%	0.765	S	S	*	*			trans	-124.9	-144.8	-163.3	45.3	-31.2	0	0	0	114.7
650	T	32.4	Very low	30.3	Very low	128 Å²	128	134.3 Å²	134.3	79%	0.785	77%	0.768	S	S	*	*			trans	105	115.9	169.6	-42.1	0	0	0	0	112.8
651	H	26.7	Very low	30.5	Very low	154 Å²	154	135.6 Å²	135.6	71%	0.713	78%	0.777	S	S	*	*			cis	98.9	112.8	35.5	-166.2	-64.4	0	0	0	112.9
652	F	28.1	Very low	30.3	Very low	207 Å²	207	133.7 Å²	133.7	91%	0.908	78%	0.779	S	S	*	*			trans	-151.3	152.4	164.3	-106	-75.7	0	0	0	111
653	S	28	Very low	30.3	Very low	92 Å²	92	130 Å²	130	64%	0.643	77%	0.773	S	S	*	*			trans	-150.5	-146.6	-173.9	-60	0	0	0	0	111.3
654	P	37.6	Very low	30.3	Very low	128 Å²	128	132.2 Å²	132.2	83%	0.831	77%	0.771	S	S	*	*				-129.9	179.5	-108.8	41.1	-22.8	0	0	0	116.5
655	A	32.8	Very low	30.3	Very low	102 Å²	102	134.7 Å²	134.7	84%	0.843	77%	0.773	S	S	*	*			trans	-147.9	145	155.8	0	0	0	0	0	107
656	G	28.9	Very low	30.2	Very low	73 Å²	73	131.5 Å²	131.5	75%	0.753	77%	0.77	S	S	*	*				102.2	135.1	56.8	0	0	0	0	0	108
657	I	34.7	Very low	30.3	Very low	177 Å²	177	132 Å²	132	91%	0.908	77%	0.774	S	S	*	*			cis	-149.9	163	12.8	-36.6	179	0	0	0	109.1
658	N	24.4	Very low	30.4	Very low	145 Å²	145	128.7 Å²	128.7	78%	0.775	77%	0.772	S	S	*	*			trans	-99.5	-166.9	170.6	-140.5	1.1	0	0	0	109
659	P	34.9	Very low	30.4	Very low	99 Å²	99	131 Å²	131	64%	0.643	78%	0.776	S	S	*	*			cis	-136.7	179.3	-17.9	41.7	-22.8	0	0	0	116.3
660	T	25.7	Very low	30	Very low	119 Å²	119	131.3 Å²	131.3	73%	0.73	78%	0.78	S	S	*	*			trans	23	136.2	144.2	-43.2	0	0	0	0	123.2
661	I	32.1	Very low	30	Very low	169 Å²	169	131.1 Å²	131.1	87%	0.867	78%	0.779	S	S	*	*				178.7	159.8	125.2	-91.1	161.1	0	0	0	112.9
662	S	26.9	Very low	30.4	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	78%	0.782	S	S	*	*			trans	-87.6	155.5	-158.2	-42.8	0	0	0	0	119
663	S	27.6	Very low	30.7	Very low	104 Å²	104	128.3 Å²	128.3	73%	0.727	78%	0.775	S	S	*	*			trans	46.8	129.9	135.5	64.4	0	0	0	0	123.4
664	T	30.5	Very low	30.9	Very low	131 Å²	131	128.7 Å²	128.7	80%	0.804	78%	0.777	S	S	*	*				-173.9	140.2	122.3	26.1	0	0	0	0	115
665	Q	31.6	Very low	30.7	Very low	190 Å²	190	128.2 Å²	128.2	89%	0.888	77%	0.772	S	S	*	*			trans	59	157.3	144.4	-74.9	178.5	-31.1	0	0	124.3
666	S	24.3	Very low	30.7	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	77%	0.766	S	S	*	*			trans	-90	-178.5	-172.3	-42.1	0	0	0	0	113.7
667	P	36.3	Very low	30.8	Very low	128 Å²	128	130.3 Å²	130.3	83%	0.831	77%	0.768	S	S	*	*				-142.1	167.2	89.3	39.4	-25.7	0	0	0	116.1
668	D	26.8	Very low	30.6	Very low	138 Å²	138	127.2 Å²	127.2	74%	0.738	76%	0.763	S	S	*	*			trans	-67.7	166.1	168.8	-70.9	-85.4	0	0	0	114.2
669	I	33.4	Very low	30.9	Very low	172 Å²	172	123.6 Å²	123.6	88%	0.882	76%	0.76	S	S	*	*				-156.8	134.4	126.6	-100.1	149.7	0	0	0	109.4
670	S	26.3	Very low	30.9	Very low	96 Å²	96	125 Å²	125	67%	0.671	77%	0.768	S	S	*	*			trans	-95.6	161.2	-177.5	-35.9	0	0	0	0	113
671	T	33.5	Very low	31.2	Very low	125 Å²	125	126.4 Å²	126.4	77%	0.767	78%	0.777	S	S	*	*			trans	160.6	152.4	143.8	37.7	0	0	0	0	109.2
672	K	34	Very low	31.1	Very low	177 Å²	177	124.3 Å²	124.3	77%	0.77	77%	0.772	S	S	*	*			cis	-157.4	147.8	2.5	-129.6	162.8	-173.4	176.3	0	110.8
673	T	33.7	Very low	31.2	Very low	124 Å²	124	127.7 Å²	127.7	76%	0.761	78%	0.777	S	S	*	*			trans	47.7	121.6	149.6	47.6	0	0	0	0	121.1
674	S	32.4	Very low	31.4	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	78%	0.781	S	S	*	*				97	144.1	70.6	-148.1	0	0	0	0	111.5
675	T	33.4	Very low	31.3	Very low	119 Å²	119	128.5 Å²	128.5	73%	0.73	78%	0.779	S	S	*	*			cis	-159	152.1	8.3	-20.1	0	0	0	0	111.1
676	A	33.4	Very low	31.1	Very low	86 Å²	86	129 Å²	129	71%	0.711	78%	0.781	S	S	*	*			trans	48.4	154.2	131.5	0	0	0	0	0	123.4
677	V	32	Very low	31.2	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	79%	0.785	S	S	*	*			cis	-161.8	168.2	-8.7	124.4	0	0	0	0	110.9
678	S	30	Very low	31	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	78%	0.779	S	S	*	*			trans	-20.7	162.7	164.5	-43.4	0	0	0	0	120.3
679	G	30.8	Very low	31.2	Very low	69 Å²	69	132.5 Å²	132.5	71%	0.711	78%	0.784	S	S	*	*			cis	175.5	-172.2	5.1	0	0	0	0	0	113.3
680	P	34	Very low	31	Very low	127 Å²	127	130 Å²	130	83%	0.825	78%	0.778	S	S	*	*			trans	-116.7	139.4	-166.3	37.8	-27	0	0	0	116
681	V	31.3	Very low	31.1	Very low	149 Å²	149	133 Å²	133	90%	0.903	79%	0.787	S	S	*	*			trans	-142.2	141.9	162.2	-172.4	0	0	0	0	111.9
682	V	30.1	Very low	30.9	Very low	126 Å²	126	138.7 Å²	138.7	76%	0.764	79%	0.794	S	S	*	*			trans	-60.4	154.2	175.1	172.2	0	0	0	0	114
683	E	30	Very low	30.6	Very low	169 Å²	169	137.5 Å²	137.5	79%	0.79	80%	0.795	S	S	*	*				172.4	172.4	116	-160.9	147.5	-156.7	0	0	114.4
684	H	31.6	Very low	30.4	Very low	178 Å²	178	135.4 Å²	135.4	82%	0.824	79%	0.79	S	S	*	*			trans	-64	157.3	-162.7	-64.5	-75	0	0	0	118.4
685	G	27.8	Very low	30.2	Very low	73 Å²	73	136 Å²	136	75%	0.753	79%	0.79	S	S	*	*			trans	165.9	108.1	150.4	0	0	0	0	0	119.2
686	Q	29.1	Very low	30	Very low	201 Å²	201	135.3 Å²	135.3	94%	0.939	79%	0.79	S	S	*	*			trans	72.3	135.9	143.4	-147.4	158.6	10.6	0	0	121.6
687	L	25.3	Very low	29.8	Very low	158 Å²	158	135 Å²	135	83%	0.827	79%	0.787	S	S	*	*			trans	-89.8	157.4	173.3	-77.1	159.5	0	0	0	111.4
688	P	32.8	Very low	29.6	Very low	110 Å²	110	133.2 Å²	133.2	71%	0.714	78%	0.78	S	S	*	*				-147.9	143.1	105.6	33.5	-15.8	0	0	0	117.7
689	H	29.5	Very low	29.9	Very low	179 Å²	179	135.8 Å²	135.8	83%	0.829	79%	0.785	S	S	*	*			trans	53	134.9	152.1	-66.6	-66.5	0	0	0	123.7
690	P	30.1	Very low	30.1	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	79%	0.791	S	S	*	*			trans	-94.7	122.9	175.8	35.6	-30.7	0	0	0	112.9
691	N	28.3	Very low	29.9	Very low	159 Å²	159	137.6 Å²	137.6	85%	0.85	79%	0.788	S	S	*	*			trans	-159	74.9	157.3	-130.3	-22.9	0	0	0	113.8
692	R	29.4	Very low	29.7	Very low	245 Å²	245	136.5 Å²	136.5	93%	0.925	79%	0.787	S	S	*	*			trans	-150.5	106.5	165.6	-140.5	174.6	-170	-177.6	3.1	111.4	A694	R692-A694 PolarHBondContact O-N 3.48Å
693	I	28	Very low	29.7	Very low	153 Å²	153	136 Å²	136	79%	0.785	79%	0.788	S	S	*	*			trans	-75.5	87.4	179.2	-57.5	175.9	0	0	0	109.1	T695	I693-T695 HydrophobicContact CG2-CG2 4.41Å; I693-T695 PolarHBondContact O-N 3.12Å
694	A	29.3	Very low	29.7	Very low	79 Å²	79	133.8 Å²	133.8	65%	0.653	79%	0.787	S	S	*	*			trans	-77.5	101.8	165.4	0	0	0	0	0	109	R692 S696	R692-A694 PolarHBondContact O-N 3.48Å; A694-S696 VanDerWaalsContact C-N 3.34Å; A694-S696 PolarHBondContact O-N 3.05Å; A694-S696 PolarHBondContact O-OG 3.42Å
695	T	28.8	Very low	29.5	Very low	114 Å²	114	134 Å²	134	70%	0.699	79%	0.788	S	S	*	*			trans	-66.4	91.7	176.4	30	0	0	0	0	110.7	I693 A697	I693-T695 HydrophobicContact CG2-CG2 4.41Å; I693-T695 PolarHBondContact O-N 3.12Å; T695-A697 PolarHBondContact O-N 3.36Å
696	S	27.9	Very low	29.6	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	79%	0.787	S	S	*	*			trans	-71.6	88	-170.9	-64.6	0	0	0	0	112.3	A694 S698	A694-S696 VanDerWaalsContact C-N 3.34Å; A694-S696 PolarHBondContact O-N 3.05Å; A694-S696 PolarHBondContact O-OG 3.42Å; S696-S698 PolarHBondContact O-N 2.89Å
697	A	29.5	Very low	29.6	Very low	80 Å²	80	134.2 Å²	134.2	66%	0.661	79%	0.786	S	S	*	*			trans	-73.7	46.3	161	0	0	0	0	0	111.3	T695	T695-A697 PolarHBondContact O-N 3.36Å
698	S	28.8	Very low	30.1	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	78%	0.782	S	S	*	*			trans	-110.9	80.8	-175.1	-171.5	0	0	0	0	110.6	S696	S696-S698 PolarHBondContact O-N 2.89Å
699	L	34.7	Very low	30.4	Very low	168 Å²	168	135 Å²	135	88%	0.88	78%	0.784	S	S	*	*			trans	-114.4	37.2	169.4	-93.1	168.3	0	0	0	111.9
700	L	35.8	Very low	30.9	Very low	160 Å²	160	130.4 Å²	130.4	84%	0.838	77%	0.771	S	S	*	*			trans	-108.8	95.6	151.7	-82	93.2	0	0	0	108.4	S702	L700-S702 PolarHBondContact O-N 3.17Å
701	G	29	Very low	31.8	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	77%	0.772	S	S	*	*			trans	-65.3	112.1	163.6	0	0	0	0	0	108.5	S703	G701-S703 PolarHBondContact O-N 3.18Å
702	S	27.7	Very low	33.6	Very low	126 Å²	126	125.6 Å²	125.6	88%	0.881	75%	0.754	S	S	*	*			trans	-71.3	98.3	-172.2	50.2	0	0	0	0	112.3	L700	L700-S702 PolarHBondContact O-N 3.17Å
703	S	29.5	Very low	34.7	Very low	115 Å²	115	118.8 Å²	118.8	80%	0.804	73%	0.732	S	S	*	*			trans	-106.5	145.4	157.1	53.8	0	0	0	0	109.9	G701	G701-S703 PolarHBondContact O-N 3.18Å
704	T	30.5	Very low	35.7	Very low	122 Å²	122	118 Å²	118	75%	0.748	72%	0.72	S	S	*	*			trans	-80.8	135.6	-157	36.4	0	0	0	0	115.2
705	Q	28.5	Very low	37.3	Very low	183 Å²	183	116.2 Å²	116.2	86%	0.855	71%	0.705	S	S	*	*			trans	54.5	98.6	147.4	-63.5	-178.4	-8.8	0	0	119.2
706	S	29	Very low	39.1	Very low	104 Å²	104	114.1 Å²	114.1	73%	0.727	70%	0.695	S	S	*	*				-148.3	114.4	127.5	62.2	0	0	0	0	109.9	T708	S706-T708 PolarHBondContact O-N 2.83Å
707	N	28.8	Very low	40.7	Very low	174 Å²	174	110.5 Å²	110.5	93%	0.93	67%	0.668	S	S	*	*			trans	-75.3	95.9	178.9	-83.4	-1.9	0	0	0	110.7
708	T	37.4	Very low	42.4	Very low	119 Å²	119	112.7 Å²	112.7	73%	0.73	66%	0.664	S	S	*	*			trans	-127.3	119.8	165.3	-46.5	0	0	0	0	107	S706	S706-T708 PolarHBondContact O-N 2.83Å
709	E	37.3	Very low	44.4	Very low	165 Å²	165	111.8 Å²	111.8	77%	0.771	65%	0.652	S	S	*	*			trans	-63.3	140	177.2	-72.5	-155.7	146.3	0	0	110.7	T711	E709-T711 PolarHBondContact O-N 3.31Å
710	P	41.7	Very low	46	Very low	84 Å²	84	106.9 Å²	106.9	55%	0.545	63%	0.626	S	S	.	*			trans	-77.8	64	-174.4	32.5	-37	0	0	0	112.4	G712 A715	P710-G712 PolarHBondContact O-N 2.92Å; P710-A715 WeakPolarHBondContact O-CB 3.45Å; P710-A715 PolarHBondContact O-N 3.04Å
711	T	48.1	Very low	47.5	Very low	128 Å²	128	101 Å²	101	79%	0.785	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	134.1	-178.8	54.3	0	0	0	0	112.7	E709	E709-T711 PolarHBondContact O-N 3.31Å
712	G	65.3	Low	49.5	Very low	47 Å²	47	100 Å²	100	49%	0.485	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	105	-151.5	175.3	0	0	0	0	0	113.9	P710 Y714 A715 S716	P710-G712 PolarHBondContact O-N 2.92Å; G712-Y714 PolarHBondContact O-N 3.44Å; G712-Y714 VanDerWaalsContact O-N 3.13Å; G712-A715 WeakPolarHBondContact O-CB 3.42Å; G712-A715 PolarHBondContact O-N 3.43Å; G712-S716 PolarHBondContact O-N 3.46Å
713	F	52.5	Low	51.7	Low	102 Å²	102	96.3 Å²	96.3	45%	0.447	55%	0.548	S	S	.	.	H	α-helix	trans	-58.1	-29.7	-170.8	-178.2	-99.9	0	0	0	114.2	S716 L717 I1116	F713-S716 WeakPolarHBondContact O-CB 3.41Å; F713-S716 PolarHBondContact O-N 3.35Å; F713-L717 HydrophobicContact CD1-CD1 4.04Å; F713-L717 HydrophobicContact CD1-CG 4.17Å; F713-L717 HydrophobicContact CE1-CD1 3.48Å; F713-L717 VanDerWaalsContact CE1-CD1 3.48Å; F713-L717 HydrophobicContact CE1-CD2 4.2Å; F713-L717 HydrophobicContact CE1-CG 3.68Å; F713-L717 HydrophobicContact CZ-CD1 4.17Å; F713-L717 HydrophobicContact CZ-CD2 4.05Å; F713-L717 HydrophobicContact CZ-CG 3.97Å; F713-L717 PolarHBondContact O-N 3.29Å; F713-I1116 HydrophobicContact CD1-CD1 4.25Å; F713-I1116 HydrophobicContact CD1-CG1 4.3Å; F713-I1116 HydrophobicContact CE1-CB 4.26Å; F713-I1116 HydrophobicContact CE1-CD1 4.15Å; F713-I1116 HydrophobicContact CE1-CG1 3.89Å; F713-I1116 HydrophobicContact CE1-CG2 3.46Å; F713-I1116 VanDerWaalsContact CE1-CG2 3.46Å; F713-I1116 HydrophobicContact CZ-CG2 3.54Å
714	Y	49.4	Very low	53.6	Low	138 Å²	138	93.7 Å²	93.7	54%	0.541	52%	0.523	S	S	.	.	H	α-helix	trans	-67.4	-38.9	174.5	-98.3	-82.3	0	0	0	113	G712 S716 L717 Q718	G712-Y714 PolarHBondContact O-N 3.44Å; G712-Y714 VanDerWaalsContact O-N 3.13Å; Y714-S716 VanDerWaalsContact C-N 3.3Å; Y714-S716 PolarHBondContact O-N 2.85Å; Y714-L717 PolarHBondContact O-N 2.86Å; Y714-Q718 WeakPolarHBondContact O-CB 3.36Å; Y714-Q718 PolarHBondContact O-N 3.41Å
715	A	62.8	Low	55.5	Low	41 Å²	41	92.8 Å²	92.8	34%	0.339	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-37.2	168.8	0	0	0	0	0	111.7	P710 G712 Q718 L719	P710-A715 WeakPolarHBondContact O-CB 3.45Å; P710-A715 PolarHBondContact O-N 3.04Å; G712-A715 WeakPolarHBondContact O-CB 3.42Å; G712-A715 PolarHBondContact O-N 3.43Å; A715-Q718 PolarHBondContact O-N 2.8Å; A715-L719 WeakPolarHBondContact O-CB 3.14Å; A715-L719 PolarHBondContact O-N 3.28Å
716	S	66.3	Low	57.7	Low	70 Å²	70	88.3 Å²	88.3	49%	0.49	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-40.2	175	-55.4	0	0	0	0	112.6	G712 F713 Y714 L720	G712-S716 PolarHBondContact O-N 3.46Å; F713-S716 WeakPolarHBondContact O-CB 3.41Å; F713-S716 PolarHBondContact O-N 3.35Å; Y714-S716 VanDerWaalsContact C-N 3.3Å; Y714-S716 PolarHBondContact O-N 2.85Å; S716-L720 VanDerWaalsContact O-CB 3.28Å; S716-L720 WeakPolarHBondContact O-CB 3.23Å; S716-L720 PolarHBondContact O-N 3.1Å
717	L	61.3	Low	59.9	Low	28 Å²	28	85.1 Å²	85.1	15%	0.147	46%	0.46	C	S	.	.	H	α-helix	trans	-67.5	-44.1	173	-77.3	-176.8	0	0	0	112.3	F713 Y714 L719 L720 A721 T1119	F713-L717 HydrophobicContact CD1-CD1 4.04Å; F713-L717 HydrophobicContact CD1-CG 4.17Å; F713-L717 HydrophobicContact CE1-CD1 3.48Å; F713-L717 VanDerWaalsContact CE1-CD1 3.48Å; F713-L717 HydrophobicContact CE1-CD2 4.2Å; F713-L717 HydrophobicContact CE1-CG 3.68Å; F713-L717 HydrophobicContact CZ-CD1 4.17Å; F713-L717 HydrophobicContact CZ-CD2 4.05Å; F713-L717 HydrophobicContact CZ-CG 3.97Å; F713-L717 PolarHBondContact O-N 3.29Å; Y714-L717 PolarHBondContact O-N 2.86Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 3.09Å; L717-L720 PolarHBondContact O-N 2.88Å; L717-A721 PolarHBondContact O-N 2.89Å; L717-T1119 HydrophobicContact CD1-CG2 4.4Å
718	Q	65.6	Low	61.8	Low	126 Å²	126	78.5 Å²	78.5	59%	0.589	43%	0.427	S	S	*	.	H	α-helix	trans	-61.7	-45.7	178	-166.8	67.9	24.8	0	0	110.6	Y714 A715 L720 A721 T722	Y714-Q718 WeakPolarHBondContact O-CB 3.36Å; Y714-Q718 PolarHBondContact O-N 3.41Å; A715-Q718 PolarHBondContact O-N 2.8Å; Q718-L720 PolarHBondContact O-N 2.82Å; Q718-A721 PolarHBondContact O-N 2.85Å; Q718-T722 PolarHBondContact O-N 2.85Å; Q718-T722 PolarHBondContact O-OG1 3.15Å
719	L	71.7	Confident	63.5	Low	74 Å²	74	76.7 Å²	76.7	39%	0.387	41%	0.412	S	S	.	.	H	α-helix	trans	-58.2	-47	174.1	-178.3	68.9	0	0	0	111.3	A715 L717 A721 T722 E723	A715-L719 WeakPolarHBondContact O-CB 3.14Å; A715-L719 PolarHBondContact O-N 3.28Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 3.09Å; L719-A721 PolarHBondContact O-N 3.21Å; L719-T722 CarbonylContact O-C 3.1Å; L719-T722 PolarHBondContact O-N 3.44Å; L719-E723 WeakPolarHBondContact O-CG 3.41Å; L719-E723 PolarHBondContact O-N 2.88Å
720	L	68.6	Low	65.3	Low	65 Å²	65	74.6 Å²	74.6	34%	0.34	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-41.7	177.1	179.3	61.6	0	0	0	111.9	S716 L717 Q718 E723 F724	S716-L720 VanDerWaalsContact O-CB 3.28Å; S716-L720 WeakPolarHBondContact O-CB 3.23Å; S716-L720 PolarHBondContact O-N 3.1Å; L717-L720 PolarHBondContact O-N 2.88Å; Q718-L720 PolarHBondContact O-N 2.82Å; L720-E723 PolarHBondContact O-N 3.47Å; L720-F724 HydrophobicContact CD1-CD2 3.99Å; L720-F724 HydrophobicContact CD1-CE2 3.7Å; L720-F724 HydrophobicContact CD2-CE2 4.25Å; L720-F724 HydrophobicContact CG-CD2 3.92Å; L720-F724 HydrophobicContact CG-CE2 3.78Å; L720-F724 VanDerWaalsContact O-CD2 3.3Å; L720-F724 WeakPolarHBondContact O-CD2 3.35Å; L720-F724 PolarHBondContact O-N 3.43Å
721	A	66.1	Low	66.6	Low	37 Å²	37	70.9 Å²	70.9	31%	0.306	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-42.8	173.7	0	0	0	0	0	111.6	L717 Q718 L719 E723 F724 E725	L717-A721 PolarHBondContact O-N 2.89Å; Q718-A721 PolarHBondContact O-N 2.85Å; L719-A721 PolarHBondContact O-N 3.21Å; A721-E723 PolarHBondContact O-N 2.86Å; A721-F724 PolarHBondContact O-N 3.07Å; A721-E725 WeakPolarHBondContact O-CB 3.47Å; A721-E725 PolarHBondContact O-N 3.28Å
722	T	71.6	Confident	67.6	Low	51 Å²	51	69.8 Å²	69.8	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-69.4	-28.2	175.3	-49.8	0	0	0	0	113.4	Q718 L719 R726	Q718-T722 PolarHBondContact O-N 2.85Å; Q718-T722 PolarHBondContact O-OG1 3.15Å; L719-T722 CarbonylContact O-C 3.1Å; L719-T722 PolarHBondContact O-N 3.44Å; T722-R726 WeakPolarHBondContact O-CB 3.48Å; T722-R726 WeakPolarHBondContact O-CG 3.38Å; T722-R726 PolarHBondContact O-N 3.02Å; T722-R726 PolarHBondContact O-NE 3.03Å
723	E	73.3	Confident	68.2	Low	50 Å²	50	75.2 Å²	75.2	23%	0.234	38%	0.375	C	S	.	.	H	α-helix	trans	-70.3	-42.9	168.6	-62.2	-61.1	154	0	0	110.5	R272 L719 L720 A721 E725 R726 I727	R272-E723 IonicContact CZ-OE1 3.76Å; R272-E723 IonicContact NH1-OE1 3Å; R272-E723 PolarHBondContact NH1-OE1 2.9Å; R272-E723 IonicContact NH2-OE1 3.69Å; L719-E723 WeakPolarHBondContact O-CG 3.41Å; L719-E723 PolarHBondContact O-N 2.88Å; L720-E723 PolarHBondContact O-N 3.47Å; A721-E723 PolarHBondContact O-N 2.86Å; E723-E725 PolarHBondContact O-N 3.07Å; E723-R726 CarbonylContact O-C 3.53Å; E723-R726 PolarHBondContact O-N 3.38Å; E723-R726 IonicContact OE1-CZ 3.78Å; E723-R726 IonicContact OE1-NH1 3.3Å; E723-R726 IonicContact OE1-NH2 2.83Å; E723-R726 PolarHBondContact OE1-NH2 2.87Å; E723-R726 IonicContact OE2-CZ 3.35Å; E723-R726 IonicContact OE2-NH1 2.69Å; E723-R726 PolarHBondContact OE2-NH1 2.88Å; E723-R726 IonicContact OE2-NH2 3.24Å; E723-R726 PolarHBondContact OE2-NH2 2.94Å; E723-I727 VanDerWaalsContact O-CG1 3.28Å; E723-I727 WeakPolarHBondContact O-CG1 3.3Å; E723-I727 PolarHBondContact O-N 3.2Å
724	F	70.3	Confident	69.4	Low	60 Å²	60	73.5 Å²	73.5	26%	0.263	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-40.7	175	-87.2	-63.1	0	0	0	113.1	L720 A721 I727 S728	L720-F724 HydrophobicContact CD1-CD2 3.99Å; L720-F724 HydrophobicContact CD1-CE2 3.7Å; L720-F724 HydrophobicContact CD2-CE2 4.25Å; L720-F724 HydrophobicContact CG-CD2 3.92Å; L720-F724 HydrophobicContact CG-CE2 3.78Å; L720-F724 VanDerWaalsContact O-CD2 3.3Å; L720-F724 WeakPolarHBondContact O-CD2 3.35Å; L720-F724 PolarHBondContact O-N 3.43Å; A721-F724 PolarHBondContact O-N 3.07Å; F724-I727 HydrophobicContact CD1-CD1 4.49Å; F724-I727 WeakPolarHBondContact O-CB 3.08Å; F724-I727 PolarHBondContact O-N 3.23Å; F724-I727 VanDerWaalsContact O-N 3.15Å; F724-S728 PolarHBondContact O-N 3.04Å
725	E	70.2	Confident	70.6	Confident	102 Å²	102	72.3 Å²	72.3	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-47.9	174.5	-165.3	157.7	-121.5	0	0	110.7	A721 E723 I727 S728 D729	A721-E725 WeakPolarHBondContact O-CB 3.47Å; A721-E725 PolarHBondContact O-N 3.28Å; E723-E725 PolarHBondContact O-N 3.07Å; E725-I727 PolarHBondContact O-N 3.34Å; E725-S728 WeakPolarHBondContact O-CA 3.16Å; E725-S728 WeakPolarHBondContact O-CB 3.22Å; E725-S728 PolarHBondContact O-N 3.05Å; E725-D729 PolarHBondContact O-N 2.83Å
726	R	75.6	Confident	71.1	Confident	89 Å²	89	73 Å²	73	34%	0.336	38%	0.375	S	S	.	.	H	α-helix	trans	-71.5	-5.3	174	-73.4	-176	-77.1	104.6	-3.5	115.4	T722 E723 R730	T722-R726 WeakPolarHBondContact O-CB 3.48Å; T722-R726 WeakPolarHBondContact O-CG 3.38Å; T722-R726 PolarHBondContact O-N 3.02Å; T722-R726 PolarHBondContact O-NE 3.03Å; E723-R726 CarbonylContact O-C 3.53Å; E723-R726 PolarHBondContact O-N 3.38Å; E723-R726 IonicContact OE1-CZ 3.78Å; E723-R726 IonicContact OE1-NH1 3.3Å; E723-R726 IonicContact OE1-NH2 2.83Å; E723-R726 PolarHBondContact OE1-NH2 2.87Å; E723-R726 IonicContact OE2-CZ 3.35Å; E723-R726 IonicContact OE2-NH1 2.69Å; E723-R726 PolarHBondContact OE2-NH1 2.88Å; E723-R726 IonicContact OE2-NH2 3.24Å; E723-R726 PolarHBondContact OE2-NH2 2.94Å; R726-R730 PolarHBondContact O-NE 2.85Å; R726-R730 PolarHBondContact O-NH2 2.74Å
727	I	74.3	Confident	71.6	Confident	38 Å²	38	72 Å²	72	20%	0.195	36%	0.361	C	S	.	.	H	α-helix	trans	-86.8	-49.3	164.5	-70.4	163.8	0	0	0	108.2	E723 F724 E725 D729 R730 M731 Y737 I741	E723-I727 VanDerWaalsContact O-CG1 3.28Å; E723-I727 WeakPolarHBondContact O-CG1 3.3Å; E723-I727 PolarHBondContact O-N 3.2Å; F724-I727 HydrophobicContact CD1-CD1 4.49Å; F724-I727 WeakPolarHBondContact O-CB 3.08Å; F724-I727 PolarHBondContact O-N 3.23Å; F724-I727 VanDerWaalsContact O-N 3.15Å; E725-I727 PolarHBondContact O-N 3.34Å; I727-D729 PolarHBondContact O-N 3.42Å; I727-R730 CarbonylContact O-C 3.56Å; I727-R730 PolarHBondContact O-N 2.93Å; I727-M731 HydrophobicContact CG2-CG 4.29Å; I727-M731 HydrophobicContact CG2-SD 3.87Å; I727-M731 WeakPolarHBondContact O-CG 3.45Å; I727-M731 PolarHBondContact O-N 3.14Å; I727-Y737 HydrophobicContact CG2-CE1 4.16Å; I727-I741 HydrophobicContact CG2-CD1 4.32Å; I727-I741 HydrophobicContact CG2-CG1 4.21Å; I727-I741 HydrophobicContact CG2-CG2 4.2Å
728	S	69.7	Low	72	Confident	35 Å²	35	70.9 Å²	70.9	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-53.9	-48.3	176.5	-168.7	0	0	0	0	112.2	F724 E725 R730 M731 L732	F724-S728 PolarHBondContact O-N 3.04Å; E725-S728 WeakPolarHBondContact O-CA 3.16Å; E725-S728 WeakPolarHBondContact O-CB 3.22Å; E725-S728 PolarHBondContact O-N 3.05Å; S728-R730 PolarHBondContact O-N 3.42Å; S728-M731 PolarHBondContact O-N 3.44Å; S728-L732 VanDerWaalsContact O-CD1 3.27Å; S728-L732 WeakPolarHBondContact O-CD1 3.48Å; S728-L732 PolarHBondContact O-N 3.14Å
729	D	73	Confident	72.3	Confident	80 Å²	80	72.7 Å²	72.7	43%	0.428	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-34.1	177.6	-66.3	-26.8	0	0	0	112.9	E725 I727 L732 Q733	E725-D729 PolarHBondContact O-N 2.83Å; I727-D729 PolarHBondContact O-N 3.42Å; D729-L732 WeakPolarHBondContact O-CB 3.48Å; D729-Q733 WeakPolarHBondContact O-CG 3.13Å
730	R	74.1	Confident	72.5	Confident	121 Å²	121	76.2 Å²	76.2	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-80.4	-27.6	176.1	-80.1	-173.6	-83.5	-173.1	-3.1	112.8	R726 I727 S728 L732 Q733 D734 Y737	R726-R730 PolarHBondContact O-NE 2.85Å; R726-R730 PolarHBondContact O-NH2 2.74Å; I727-R730 CarbonylContact O-C 3.56Å; I727-R730 PolarHBondContact O-N 2.93Å; S728-R730 PolarHBondContact O-N 3.42Å; R730-L732 VanDerWaalsContact C-N 3.29Å; R730-Q733 PolarHBondContact O-N 2.68Å; R730-D734 PolarHBondContact O-N 3.46Å; R730-Y737 HydrophobicContact CB-CD1 3.77Å; R730-Y737 HydrophobicContact CB-CE1 3.59Å
731	M	69.7	Low	72.9	Confident	7 Å²	7	74.8 Å²	74.8	3%	0.034	36%	0.357	C	S	.	.	H	α-helix	trans	-70.9	-24.4	170.6	-66.3	179.3	64.4	0	0	112.5	I727 S728 Y737 S738 I741 F742 F1131	I727-M731 HydrophobicContact CG2-CG 4.29Å; I727-M731 HydrophobicContact CG2-SD 3.87Å; I727-M731 WeakPolarHBondContact O-CG 3.45Å; I727-M731 PolarHBondContact O-N 3.14Å; S728-M731 PolarHBondContact O-N 3.44Å; M731-Y737 HydrophobicContact CG-CD1 3.87Å; M731-Y737 HydrophobicContact CG-CE1 3.98Å; M731-S738 WeakPolarHBondContact CE-OG 3.29Å; M731-I741 HydrophobicContact CE-CB 4.07Å; M731-I741 HydrophobicContact CE-CG2 4.02Å; M731-I741 HydrophobicContact CG-CB 4.45Å; M731-I741 HydrophobicContact CG-CG1 4.35Å; M731-I741 HydrophobicContact SD-CB 3.76Å; M731-I741 HydrophobicContact SD-CG1 4.16Å; M731-I741 HydrophobicContact SD-CG2 3.51Å; M731-I741 VanDerWaalsContact SD-CG2 3.51Å; M731-F742 HydrophobicContact CE-CD2 3.84Å; M731-F742 HydrophobicContact CE-CE1 4.47Å; M731-F742 HydrophobicContact CE-CE2 3.63Å; M731-F742 HydrophobicContact CE-CG 4.36Å; M731-F742 HydrophobicContact CE-CZ 3.97Å; M731-F1131 HydrophobicContact CE-CD1 4.09Å; M731-F1131 HydrophobicContact CE-CE1 3.94Å; M731-F1131 HydrophobicContact SD-CD1 4.26Å; M731-F1131 HydrophobicContact SD-CE1 3.51Å; M731-F1131 VanDerWaalsContact SD-CE1 3.51Å; M731-F1131 HydrophobicContact SD-CZ 4.11Å
732	L	69.5	Low	73.1	Confident	104 Å²	104	76 Å²	76	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-33.8	166.2	-95.1	78.2	0	0	0	112.8	S728 D729 R730 F1134	S728-L732 VanDerWaalsContact O-CD1 3.27Å; S728-L732 WeakPolarHBondContact O-CD1 3.48Å; S728-L732 PolarHBondContact O-N 3.14Å; D729-L732 WeakPolarHBondContact O-CB 3.48Å; R730-L732 VanDerWaalsContact C-N 3.29Å; L732-F1134 HydrophobicContact CB-CZ 4.46Å; L732-F1134 HydrophobicContact CD1-CD2 3.95Å; L732-F1134 HydrophobicContact CD1-CE2 3.37Å; L732-F1134 HydrophobicContact CD1-CZ 3.71Å; L732-F1134 HydrophobicContact CD2-CE2 4.34Å; L732-F1134 HydrophobicContact CG-CE2 3.53Å; L732-F1134 HydrophobicContact CG-CZ 3.69Å
733	Q	76	Confident	73.2	Confident	162 Å²	162	81.9 Å²	81.9	76%	0.757	37%	0.372	S	S	*	.	H	α-helix	trans	-96	-38.2	-169.7	-67.8	173.4	7.8	0	0	113.9	D729 R730	D729-Q733 WeakPolarHBondContact O-CG 3.13Å; R730-Q733 PolarHBondContact O-N 2.68Å
734	D	78.6	Confident	73.2	Confident	65 Å²	65	81.3 Å²	81.3	35%	0.348	38%	0.376	S	S	.	.			trans	-119.5	107.2	-179.7	174.5	1.6	0	0	0	110.3	R730 A736 Y737 S738 R740	R730-D734 PolarHBondContact O-N 3.46Å; D734-A736 VanDerWaalsContact C-N 3.28Å; D734-A736 PolarHBondContact O-N 3.28Å; D734-A736 VanDerWaalsContact OD1-CA 3.31Å; D734-A736 WeakPolarHBondContact OD1-CA 3.38Å; D734-A736 WeakPolarHBondContact OD1-CB 3.45Å; D734-A736 PolarHBondContact OD1-N 3.18Å; D734-Y737 VanDerWaalsContact CG-CB 3.44Å; D734-Y737 WeakPolarHBondContact O-CB 3.37Å; D734-Y737 PolarHBondContact O-N 3.23Å; D734-Y737 PolarHBondContact OD1-N 2.95Å; D734-Y737 WeakPolarHBondContact OD2-CB 3.27Å; D734-Y737 PolarHBondContact OD2-N 3.39Å; D734-S738 WeakPolarHBondContact O-CB 3.19Å; D734-S738 PolarHBondContact O-N 2.98Å; D734-R740 IonicContact OD2-NH2 3.51Å; D734-R740 PolarHBondContact OD2-NH2 3.31Å; D734-R740 VanDerWaalsContact OD2-NH2 3.16Å
735	Q	73.5	Confident	73.4	Confident	113 Å²	113	81.5 Å²	81.5	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-65.1	-29.1	177.5	-162.6	-171.4	16.2	0	0	112.6	S738 R739	Q735-S738 WeakPolarHBondContact O-CB 3.27Å; Q735-S738 PolarHBondContact O-N 2.75Å; Q735-R739 WeakPolarHBondContact O-CG 3.38Å; Q735-R739 PolarHBondContact O-N 2.68Å
736	A	73.8	Confident	73.4	Confident	56 Å²	56	81.8 Å²	81.8	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-78.4	-31.3	176	0	0	0	0	0	111.8	D734 R740	D734-A736 VanDerWaalsContact C-N 3.28Å; D734-A736 PolarHBondContact O-N 3.28Å; D734-A736 VanDerWaalsContact OD1-CA 3.31Å; D734-A736 WeakPolarHBondContact OD1-CA 3.38Å; D734-A736 WeakPolarHBondContact OD1-CB 3.45Å; D734-A736 PolarHBondContact OD1-N 3.18Å; A736-R740 VanDerWaalsContact O-CG 3.31Å; A736-R740 WeakPolarHBondContact O-CG 3.33Å; A736-R740 PolarHBondContact O-N 3.2Å; A736-R740 PolarHBondContact O-NE 3.36Å
737	Y	77.7	Confident	73.4	Confident	49 Å²	49	82.6 Å²	82.6	19%	0.192	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-46.2	164.3	-178.4	-109.9	0	0	0	110.8	I727 R730 M731 D734 R739 R740 I741	I727-Y737 HydrophobicContact CG2-CE1 4.16Å; R730-Y737 HydrophobicContact CB-CD1 3.77Å; R730-Y737 HydrophobicContact CB-CE1 3.59Å; M731-Y737 HydrophobicContact CG-CD1 3.87Å; M731-Y737 HydrophobicContact CG-CE1 3.98Å; D734-Y737 VanDerWaalsContact CG-CB 3.44Å; D734-Y737 WeakPolarHBondContact O-CB 3.37Å; D734-Y737 PolarHBondContact O-N 3.23Å; D734-Y737 PolarHBondContact OD1-N 2.95Å; D734-Y737 WeakPolarHBondContact OD2-CB 3.27Å; D734-Y737 PolarHBondContact OD2-N 3.39Å; Y737-R739 PolarHBondContact O-N 3.42Å; Y737-R740 WeakPolarHBondContact O-CB 3.27Å; Y737-R740 PolarHBondContact O-N 2.89Å; Y737-I741 HydrophobicContact CD1-CG1 4.16Å; Y737-I741 HydrophobicContact CD2-CG1 4.36Å; Y737-I741 HydrophobicContact CE1-CD1 4.35Å; Y737-I741 HydrophobicContact CE1-CG1 3.84Å; Y737-I741 HydrophobicContact CE2-CD1 3.96Å; Y737-I741 HydrophobicContact CE2-CG1 4.04Å; Y737-I741 HydrophobicContact CG-CG1 4.42Å; Y737-I741 WeakPolarHBondContact O-CG1 3.48Å; Y737-I741 PolarHBondContact O-N 2.79Å
738	S	69.9	Low	73.4	Confident	5 Å²	5	85.5 Å²	85.5	4%	0.035	40%	0.403	C	S	.	.	H	α-helix	trans	-53.9	-52.8	176.4	-168	0	0	0	0	112.3	M731 D734 Q735 R740 I741 F742	M731-S738 WeakPolarHBondContact CE-OG 3.29Å; D734-S738 WeakPolarHBondContact O-CB 3.19Å; D734-S738 PolarHBondContact O-N 2.98Å; Q735-S738 WeakPolarHBondContact O-CB 3.27Å; Q735-S738 PolarHBondContact O-N 2.75Å; S738-R740 VanDerWaalsContact C-N 3.29Å; S738-R740 PolarHBondContact O-N 2.97Å; S738-I741 PolarHBondContact O-N 3.39Å; S738-I741 VanDerWaalsContact O-N 3.15Å; S738-F742 VanDerWaalsContact O-CD2 3.24Å; S738-F742 WeakPolarHBondContact O-CD2 3.44Å; S738-F742 PolarHBondContact O-N 3.16Å; S738-F742 WeakPolarHBondContact OG-CE2 3.31Å
739	R	71.9	Confident	73.4	Confident	164 Å²	164	84.2 Å²	84.2	62%	0.619	39%	0.394	S	S	*	.	H	α-helix	trans	-58.8	-34.7	175.2	-69.6	179.2	-164.5	-142.9	5.7	113.6	Q735 Y737 R743	Q735-R739 WeakPolarHBondContact O-CG 3.38Å; Q735-R739 PolarHBondContact O-N 2.68Å; Y737-R739 PolarHBondContact O-N 3.42Å; R739-R743 WeakPolarHBondContact O-CB 3.38Å; R739-R743 PolarHBondContact O-N 3.08Å; R739-R743 VanDerWaalsContact O-N 3.07Å
740	R	76.2	Confident	73.4	Confident	148 Å²	148	85.2 Å²	85.2	56%	0.558	40%	0.399	S	S	*	.	H	α-helix	trans	-68.7	-42.1	175.4	-77	174.3	-72.7	173.2	-1.1	112.1	D734 A736 Y737 S738 R743 A744	D734-R740 IonicContact OD2-NH2 3.51Å; D734-R740 PolarHBondContact OD2-NH2 3.31Å; D734-R740 VanDerWaalsContact OD2-NH2 3.16Å; A736-R740 VanDerWaalsContact O-CG 3.31Å; A736-R740 WeakPolarHBondContact O-CG 3.33Å; A736-R740 PolarHBondContact O-N 3.2Å; A736-R740 PolarHBondContact O-NE 3.36Å; Y737-R740 WeakPolarHBondContact O-CB 3.27Å; Y737-R740 PolarHBondContact O-N 2.89Å; S738-R740 VanDerWaalsContact C-N 3.29Å; S738-R740 PolarHBondContact O-N 2.97Å; R740-R743 PolarHBondContact O-N 2.84Å; R740-A744 PolarHBondContact O-N 3.24Å
741	I	75.8	Confident	73.5	Confident	34 Å²	34	86.2 Å²	86.2	17%	0.174	41%	0.409	C	S	.	.	H	α-helix	trans	-68	-43.9	176.8	-62.6	-63.3	0	0	0	111	I727 M731 Y737 S738 R743 A744 I745	I727-I741 HydrophobicContact CG2-CD1 4.32Å; I727-I741 HydrophobicContact CG2-CG1 4.21Å; I727-I741 HydrophobicContact CG2-CG2 4.2Å; M731-I741 HydrophobicContact CE-CB 4.07Å; M731-I741 HydrophobicContact CE-CG2 4.02Å; M731-I741 HydrophobicContact CG-CB 4.45Å; M731-I741 HydrophobicContact CG-CG1 4.35Å; M731-I741 HydrophobicContact SD-CB 3.76Å; M731-I741 HydrophobicContact SD-CG1 4.16Å; M731-I741 HydrophobicContact SD-CG2 3.51Å; M731-I741 VanDerWaalsContact SD-CG2 3.51Å; Y737-I741 HydrophobicContact CD1-CG1 4.16Å; Y737-I741 HydrophobicContact CD2-CG1 4.36Å; Y737-I741 HydrophobicContact CE1-CD1 4.35Å; Y737-I741 HydrophobicContact CE1-CG1 3.84Å; Y737-I741 HydrophobicContact CE2-CD1 3.96Å; Y737-I741 HydrophobicContact CE2-CG1 4.04Å; Y737-I741 HydrophobicContact CG-CG1 4.42Å; Y737-I741 WeakPolarHBondContact O-CG1 3.48Å; Y737-I741 PolarHBondContact O-N 2.79Å; S738-I741 PolarHBondContact O-N 3.39Å; S738-I741 VanDerWaalsContact O-N 3.15Å; I741-R743 VanDerWaalsContact C-N 3.34Å; I741-R743 PolarHBondContact O-N 2.96Å; I741-A744 PolarHBondContact O-N 2.86Å; I741-I745 HydrophobicContact CG2-CD1 3.7Å; I741-I745 HydrophobicContact CG2-CG1 4.28Å; I741-I745 WeakPolarHBondContact O-CG1 3.41Å; I741-I745 PolarHBondContact O-N 3.35Å
742	F	69.7	Low	73.7	Confident	64 Å²	64	88 Å²	88	28%	0.281	42%	0.42	S	S	.	.	H	α-helix	trans	-58	-44.5	174.4	-81.2	-63.3	0	0	0	112.3	M731 S738 I745 H746 F1131	M731-F742 HydrophobicContact CE-CD2 3.84Å; M731-F742 HydrophobicContact CE-CE1 4.47Å; M731-F742 HydrophobicContact CE-CE2 3.63Å; M731-F742 HydrophobicContact CE-CG 4.36Å; M731-F742 HydrophobicContact CE-CZ 3.97Å; S738-F742 VanDerWaalsContact O-CD2 3.24Å; S738-F742 WeakPolarHBondContact O-CD2 3.44Å; S738-F742 PolarHBondContact O-N 3.16Å; S738-F742 WeakPolarHBondContact OG-CE2 3.31Å; F742-I745 PolarHBondContact O-N 3.08Å; F742-H746 WeakPolarHBondContact O-CB 3.43Å; F742-H746 PolarHBondContact O-N 3.3Å; F742-F1131 HydrophobicContact CE1-CB 4.48Å
743	R	74.3	Confident	74.1	Confident	173 Å²	173	84.7 Å²	84.7	65%	0.653	40%	0.401	S	S	*	.	H	α-helix	trans	-58.9	-48.3	174.3	-179	178.5	-66.5	-169.3	-1.8	111.8	R739 R740 I741 I745 H746 E747	R739-R743 WeakPolarHBondContact O-CB 3.38Å; R739-R743 PolarHBondContact O-N 3.08Å; R739-R743 VanDerWaalsContact O-N 3.07Å; R740-R743 PolarHBondContact O-N 2.84Å; I741-R743 VanDerWaalsContact C-N 3.34Å; I741-R743 PolarHBondContact O-N 2.96Å; R743-I745 PolarHBondContact O-N 3.02Å; R743-H746 PolarHBondContact O-N 3.2Å; R743-E747 VanDerWaalsContact CD-OE1 3.3Å; R743-E747 WeakPolarHBondContact CD-OE1 3.45Å; R743-E747 HydrophobicContact CG-CG 4.3Å; R743-E747 WeakPolarHBondContact CG-OE1 3.42Å; R743-E747 WeakPolarHBondContact O-CB 3.45Å; R743-E747 WeakPolarHBondContact O-CG 3.27Å; R743-E747 PolarHBondContact O-N 2.66Å
744	A	73.4	Confident	73.8	Confident	38 Å²	38	81.4 Å²	81.4	31%	0.314	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-39.4	179.8	0	0	0	0	0	112.8	R740 I741 E747 I748	R740-A744 PolarHBondContact O-N 3.24Å; I741-A744 PolarHBondContact O-N 2.86Å; A744-E747 PolarHBondContact O-N 3.24Å; A744-I748 WeakPolarHBondContact O-CB 3.47Å; A744-I748 WeakPolarHBondContact O-CD1 3.38Å; A744-I748 VanDerWaalsContact O-CG1 3.23Å; A744-I748 WeakPolarHBondContact O-CG1 3.49Å; A744-I748 PolarHBondContact O-N 3.02Å
745	I	73.5	Confident	73.3	Confident	65 Å²	65	84.6 Å²	84.6	33%	0.333	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-42.1	175.1	-69	169.6	0	0	0	110.7	I741 F742 R743 S749	I741-I745 HydrophobicContact CG2-CD1 3.7Å; I741-I745 HydrophobicContact CG2-CG1 4.28Å; I741-I745 WeakPolarHBondContact O-CG1 3.41Å; I741-I745 PolarHBondContact O-N 3.35Å; F742-I745 PolarHBondContact O-N 3.08Å; R743-I745 PolarHBondContact O-N 3.02Å; I745-S749 WeakPolarHBondContact O-CB 3.49Å; I745-S749 PolarHBondContact O-N 3.5Å
746	H	72.2	Confident	73.6	Confident	108 Å²	108	80.5 Å²	80.5	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-44	176.7	-178.5	-95.7	0	0	0	112.2	F742 R743 S749 L750	F742-H746 WeakPolarHBondContact O-CB 3.43Å; F742-H746 PolarHBondContact O-N 3.3Å; R743-H746 PolarHBondContact O-N 3.2Å; H746-S749 WeakPolarHBondContact O-CB 3.49Å; H746-S749 PolarHBondContact O-N 3.34Å; H746-L750 PolarHBondContact O-N 3.16Å
747	E	74.3	Confident	73.5	Confident	106 Å²	106	81 Å²	81	50%	0.495	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-47.6	175	-74.3	167.1	-179.2	0	0	111.5	R743 A744 S749 L750 E751	R743-E747 VanDerWaalsContact CD-OE1 3.3Å; R743-E747 WeakPolarHBondContact CD-OE1 3.45Å; R743-E747 HydrophobicContact CG-CG 4.3Å; R743-E747 WeakPolarHBondContact CG-OE1 3.42Å; R743-E747 WeakPolarHBondContact O-CB 3.45Å; R743-E747 WeakPolarHBondContact O-CG 3.27Å; R743-E747 PolarHBondContact O-N 2.66Å; A744-E747 PolarHBondContact O-N 3.24Å; E747-S749 VanDerWaalsContact C-N 3.3Å; E747-S749 PolarHBondContact O-N 3.26Å; E747-L750 PolarHBondContact O-N 3.2Å; E747-E751 WeakPolarHBondContact O-CB 3.37Å; E747-E751 PolarHBondContact O-N 3.3Å
748	I	74	Confident	73.1	Confident	98 Å²	98	82.8 Å²	82.8	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-62.3	-36.5	174.9	-68.3	164.4	0	0	0	111.4	A744 T752	A744-I748 WeakPolarHBondContact O-CB 3.47Å; A744-I748 WeakPolarHBondContact O-CD1 3.38Å; A744-I748 VanDerWaalsContact O-CG1 3.23Å; A744-I748 WeakPolarHBondContact O-CG1 3.49Å; A744-I748 PolarHBondContact O-N 3.02Å; I748-T752 HydrophobicContact CG2-CG2 4.39Å; I748-T752 WeakPolarHBondContact O-CB 3.11Å; I748-T752 WeakPolarHBondContact O-CG2 3.44Å; I748-T752 PolarHBondContact O-N 3.22Å; I748-T752 PolarHBondContact O-OG1 2.7Å
749	S	69.6	Low	73	Confident	9 Å²	9	86.9 Å²	86.9	6%	0.063	42%	0.42	C	S	.	.	H	α-helix	trans	-65.6	-37.6	175.3	179.8	0	0	0	0	112.4	I745 H746 E747 K753 R756 Q765	I745-S749 WeakPolarHBondContact O-CB 3.49Å; I745-S749 PolarHBondContact O-N 3.5Å; H746-S749 WeakPolarHBondContact O-CB 3.49Å; H746-S749 PolarHBondContact O-N 3.34Å; E747-S749 VanDerWaalsContact C-N 3.3Å; E747-S749 PolarHBondContact O-N 3.26Å; S749-K753 PolarHBondContact O-N 2.97Å; S749-R756 PolarHBondContact O-NH1 2.85Å; S749-R756 PolarHBondContact O-NH2 3.3Å; S749-Q765 PolarHBondContact OG-NE2 3.48Å
750	L	73.7	Confident	72.7	Confident	100 Å²	100	82.4 Å²	82.4	52%	0.524	42%	0.424	S	S	.	.	H	α-helix	trans	-73.3	-47.9	175.7	-69.2	177.7	0	0	0	111.3	H746 E747 T752 K753	H746-L750 PolarHBondContact O-N 3.16Å; E747-L750 PolarHBondContact O-N 3.2Å; L750-T752 VanDerWaalsContact C-N 3.29Å; L750-T752 PolarHBondContact O-N 2.83Å; L750-K753 WeakPolarHBondContact O-CB 3.3Å; L750-K753 PolarHBondContact O-N 3.04Å; L750-K753 VanDerWaalsContact O-N 3.16Å
751	E	75.3	Confident	71.7	Confident	142 Å²	142	80.8 Å²	80.8	66%	0.664	42%	0.422	S	S	*	.	H	α-helix	trans	-56.8	-42.6	178.9	-170.6	-167.9	169.5	0	0	111.8	E747	E747-E751 WeakPolarHBondContact O-CB 3.37Å; E747-E751 PolarHBondContact O-N 3.3Å
752	T	75.1	Confident	71.4	Confident	44 Å²	44	82.3 Å²	82.3	27%	0.27	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.8	-178.4	61.8	0	0	0	0	114.6	I748 L750 S754 F755 R756	I748-T752 HydrophobicContact CG2-CG2 4.39Å; I748-T752 WeakPolarHBondContact O-CB 3.11Å; I748-T752 WeakPolarHBondContact O-CG2 3.44Å; I748-T752 PolarHBondContact O-N 3.22Å; I748-T752 PolarHBondContact O-OG1 2.7Å; L750-T752 VanDerWaalsContact C-N 3.29Å; L750-T752 PolarHBondContact O-N 2.83Å; T752-S754 PolarHBondContact O-N 3.35Å; T752-F755 PolarHBondContact O-N 3.46Å; T752-F755 VanDerWaalsContact O-N 3.1Å; T752-R756 WeakPolarHBondContact O-CG 3.37Å; T752-R756 PolarHBondContact O-N 3.26Å; T752-R756 PolarHBondContact OG1-NH1 3.26Å
753	K	77.2	Confident	71.3	Confident	36 Å²	36	80.8 Å²	80.8	16%	0.157	43%	0.429	C	S	.	.	H	α-helix	trans	-53.6	-57.7	-174.1	-176.2	176.1	173.8	-175.5	0	112.1	S749 L750 F755 R756 E757	S749-K753 PolarHBondContact O-N 2.97Å; L750-K753 WeakPolarHBondContact O-CB 3.3Å; L750-K753 PolarHBondContact O-N 3.04Å; L750-K753 VanDerWaalsContact O-N 3.16Å; K753-F755 PolarHBondContact O-N 2.9Å; K753-R756 PolarHBondContact O-N 3.49Å; K753-R756 VanDerWaalsContact O-N 3.09Å; K753-E757 WeakPolarHBondContact CE-OE1 3.49Å; K753-E757 HydrophobicContact CG-CG 4.38Å; K753-E757 IonicContact NZ-OE1 2.7Å; K753-E757 WeakPolarHBondContact O-CG 3.4Å; K753-E757 PolarHBondContact O-N 3.48Å
754	S	70.9	Confident	70.7	Confident	93 Å²	93	77.2 Å²	77.2	65%	0.65	43%	0.428	S	S	*	.	H	α-helix	trans	-58.2	-34.7	178.8	176.1	0	0	0	0	113.1	T752 S758	T752-S754 PolarHBondContact O-N 3.35Å; S754-S758 WeakPolarHBondContact O-CB 3.1Å; S754-S758 PolarHBondContact O-N 3.35Å
755	F	67.9	Low	70.1	Confident	131 Å²	131	80.1 Å²	80.1	58%	0.575	44%	0.435	S	S	*	.	H	α-helix	trans	-69.1	-47.2	175.1	176.1	-105.2	0	0	0	111.8	T752 K753 E757 S758 I759	T752-F755 PolarHBondContact O-N 3.46Å; T752-F755 VanDerWaalsContact O-N 3.1Å; K753-F755 PolarHBondContact O-N 2.9Å; F755-E757 VanDerWaalsContact C-N 3.35Å; F755-E757 PolarHBondContact O-N 2.97Å; F755-S758 PolarHBondContact O-N 3.37Å; F755-S758 PolarHBondContact O-OG 2.87Å; F755-I759 HydrophobicContact CE1-CD1 3.96Å; F755-I759 HydrophobicContact CE2-CG2 4.32Å; F755-I759 HydrophobicContact CZ-CD1 4.26Å; F755-I759 HydrophobicContact CZ-CG2 4.36Å; F755-I759 PolarHBondContact O-N 3.18Å
756	R	78.7	Confident	69.7	Low	28 Å²	28	77.3 Å²	77.3	11%	0.106	42%	0.421	C	S	.	.	H	α-helix	trans	-60.2	-44.9	177.9	-63	-167.6	-54.4	-80.4	2	111.4	S749 T752 K753 S758 I759 G760 F761 D766	S749-R756 PolarHBondContact O-NH1 2.85Å; S749-R756 PolarHBondContact O-NH2 3.3Å; T752-R756 WeakPolarHBondContact O-CG 3.37Å; T752-R756 PolarHBondContact O-N 3.26Å; T752-R756 PolarHBondContact OG1-NH1 3.26Å; K753-R756 PolarHBondContact O-N 3.49Å; K753-R756 VanDerWaalsContact O-N 3.09Å; R756-S758 VanDerWaalsContact C-N 3.32Å; R756-S758 PolarHBondContact O-N 3.16Å; R756-I759 CarbonylContact O-C 3.21Å; R756-I759 WeakPolarHBondContact O-CG1 3.24Å; R756-I759 PolarHBondContact O-N 2.67Å; R756-I759 VanDerWaalsContact O-N 3.11Å; R756-G760 PolarHBondContact O-N 3.1Å; R756-G760 VanDerWaalsContact O-N 3.14Å; R756-F761 CarbonylContact C-O 3.57Å; R756-F761 HydrophobicContact CB-CB 4.32Å; R756-F761 WeakPolarHBondContact CB-O 3.43Å; R756-F761 PolarHBondContact O-N 2.82Å; R756-D766 IonicContact CZ-OD2 3.85Å; R756-D766 IonicContact NE-OD2 3.23Å; R756-D766 VanDerWaalsContact NH2-CG 3.25Å; R756-D766 IonicContact NH2-OD1 2.81Å; R756-D766 PolarHBondContact NH2-OD1 3.45Å; R756-D766 IonicContact NH2-OD2 2.84Å; R756-D766 PolarHBondContact NH2-OD2 2.92Å
757	E	73	Confident	68.9	Low	66 Å²	66	75.6 Å²	75.6	31%	0.308	42%	0.418	S	S	.	.	H	α-helix	trans	-60.8	-41.1	176.5	-69.7	171.3	149.2	0	0	111.3	K753 F755 I759 G760	K753-E757 WeakPolarHBondContact CE-OE1 3.49Å; K753-E757 HydrophobicContact CG-CG 4.38Å; K753-E757 IonicContact NZ-OE1 2.7Å; K753-E757 WeakPolarHBondContact O-CG 3.4Å; K753-E757 PolarHBondContact O-N 3.48Å; F755-E757 VanDerWaalsContact C-N 3.35Å; F755-E757 PolarHBondContact O-N 2.97Å; E757-I759 PolarHBondContact O-N 3.13Å; E757-G760 PolarHBondContact O-N 3.41Å
758	S	67.8	Low	67.6	Low	86 Å²	86	75.2 Å²	75.2	60%	0.601	42%	0.42	S	S	*	.	H	α-helix	trans	-63.7	-19.5	176.7	79.5	0	0	0	0	114.5	S754 F755 R756	S754-S758 WeakPolarHBondContact O-CB 3.1Å; S754-S758 PolarHBondContact O-N 3.35Å; F755-S758 PolarHBondContact O-N 3.37Å; F755-S758 PolarHBondContact O-OG 2.87Å; R756-S758 VanDerWaalsContact C-N 3.32Å; R756-S758 PolarHBondContact O-N 3.16Å
759	I	68	Low	66.1	Low	92 Å²	92	74.6 Å²	74.6	47%	0.472	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	12.8	175.5	67	169.8	0	0	0	113.2	F755 R756 E757 F761	F755-I759 HydrophobicContact CE1-CD1 3.96Å; F755-I759 HydrophobicContact CE2-CG2 4.32Å; F755-I759 HydrophobicContact CZ-CD1 4.26Å; F755-I759 HydrophobicContact CZ-CG2 4.36Å; F755-I759 PolarHBondContact O-N 3.18Å; R756-I759 CarbonylContact O-C 3.21Å; R756-I759 WeakPolarHBondContact O-CG1 3.24Å; R756-I759 PolarHBondContact O-N 2.67Å; R756-I759 VanDerWaalsContact O-N 3.11Å; E757-I759 PolarHBondContact O-N 3.13Å; I759-F761 HydrophobicContact CD1-CD2 4.26Å; I759-F761 HydrophobicContact CG1-CD2 4.18Å
760	G	65.9	Low	64.4	Low	69 Å²	69	79.2 Å²	79.2	71%	0.711	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	18.2	174.2	0	0	0	0	0	116	R756 E757	R756-G760 PolarHBondContact O-N 3.1Å; R756-G760 VanDerWaalsContact O-N 3.14Å; E757-G760 PolarHBondContact O-N 3.41Å
761	F	56.5	Low	62.6	Low	114 Å²	114	79.6 Å²	79.6	50%	0.5	44%	0.44	S	S	.	.			trans	-108.6	123.8	176.3	-82.3	-89.6	0	0	0	111.8	R756 I759 T1121	R756-F761 CarbonylContact C-O 3.57Å; R756-F761 HydrophobicContact CB-CB 4.32Å; R756-F761 WeakPolarHBondContact CB-O 3.43Å; R756-F761 PolarHBondContact O-N 2.82Å; I759-F761 HydrophobicContact CD1-CD2 4.26Å; I759-F761 HydrophobicContact CG1-CD2 4.18Å; F761-T1121 HydrophobicContact CE1-CG2 4.27Å
762	C	67.7	Low	60.5	Low	67 Å²	67	81.1 Å²	81.1	45%	0.453	44%	0.44	S	S	.	.			trans	-115.5	141	168.7	-62.1	0	0	0	0	109.7	D766	C762-D766 HydrophobicContact CB-CB 4.2Å
763	L	68.5	Low	58.6	Low	32 Å²	32	85.5 Å²	85.5	17%	0.168	46%	0.457	C	S	.	.			trans	-83.2	158.6	167.8	-62.1	174.7	0	0	0	109.7	Q765 D766 T767 M1128	L763-Q765 HydrophobicContact CB-CG 4.02Å; L763-Q765 PolarHBondContact O-N 3.37Å; L763-Q765 VanDerWaalsContact O-N 3.15Å; L763-D766 WeakPolarHBondContact CB-OD2 3.34Å; L763-D766 PolarHBondContact N-OD2 3.47Å; L763-D766 WeakPolarHBondContact O-CA 3.43Å; L763-D766 WeakPolarHBondContact O-CB 3.39Å; L763-D766 PolarHBondContact O-N 3.19Å; L763-T767 PolarHBondContact O-N 2.73Å; L763-T767 PolarHBondContact O-OG1 3Å; L763-M1128 HydrophobicContact CD2-CE 3.88Å; L763-M1128 HydrophobicContact CD2-SD 4.45Å
764	P	60.9	Low	56.6	Low	97 Å²	97	90.4 Å²	90.4	63%	0.63	49%	0.485	S	S	*	.	H	α-helix	trans	-53.3	-38.4	178	-28.3	36.2	0	0	0	113.6	D766 T767 D768	P764-D766 VanDerWaalsContact C-N 3.3Å; P764-D766 PolarHBondContact O-N 3.49Å; P764-T767 WeakPolarHBondContact CA-OG1 3.41Å; P764-T767 PolarHBondContact O-N 3.17Å; P764-T767 PolarHBondContact O-OG1 3.45Å; P764-D768 PolarHBondContact O-N 2.87Å
765	Q	61.5	Low	54.7	Low	99 Å²	99	92.4 Å²	92.4	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-19.4	175.6	67.5	-152	19.2	0	0	114.8	S749 L763	S749-Q765 PolarHBondContact OG-NE2 3.48Å; L763-Q765 HydrophobicContact CB-CG 4.02Å; L763-Q765 PolarHBondContact O-N 3.37Å; L763-Q765 VanDerWaalsContact O-N 3.15Å
766	D	64.4	Low	52.6	Low	6 Å²	6	96.3 Å²	96.3	3%	0.032	51%	0.505	C	S	.	.	H	α-helix	trans	-76.4	-40.1	171.6	-57.9	-42.1	0	0	0	109.9	R756 C762 L763 P764 D768 Q769 F770	R756-D766 IonicContact CZ-OD2 3.85Å; R756-D766 IonicContact NE-OD2 3.23Å; R756-D766 VanDerWaalsContact NH2-CG 3.25Å; R756-D766 IonicContact NH2-OD1 2.81Å; R756-D766 PolarHBondContact NH2-OD1 3.45Å; R756-D766 IonicContact NH2-OD2 2.84Å; R756-D766 PolarHBondContact NH2-OD2 2.92Å; C762-D766 HydrophobicContact CB-CB 4.2Å; L763-D766 WeakPolarHBondContact CB-OD2 3.34Å; L763-D766 PolarHBondContact N-OD2 3.47Å; L763-D766 WeakPolarHBondContact O-CA 3.43Å; L763-D766 WeakPolarHBondContact O-CB 3.39Å; L763-D766 PolarHBondContact O-N 3.19Å; P764-D766 VanDerWaalsContact C-N 3.3Å; P764-D766 PolarHBondContact O-N 3.49Å; D766-D768 PolarHBondContact O-N 2.83Å; D766-Q769 WeakPolarHBondContact O-CB 3.49Å; D766-Q769 PolarHBondContact O-N 2.92Å; D766-Q769 VanDerWaalsContact O-N 3.1Å; D766-F770 WeakPolarHBondContact O-CD2 3.48Å; D766-F770 PolarHBondContact O-N 3.5Å
767	T	55.2	Low	50.1	Low	72 Å²	72	100.9 Å²	100.9	44%	0.442	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-35	177.1	19.3	0	0	0	0	113.8	L763 P764 Q769 F770 V771	L763-T767 PolarHBondContact O-N 2.73Å; L763-T767 PolarHBondContact O-OG1 3Å; P764-T767 WeakPolarHBondContact CA-OG1 3.41Å; P764-T767 PolarHBondContact O-N 3.17Å; P764-T767 PolarHBondContact O-OG1 3.45Å; T767-Q769 PolarHBondContact O-N 2.91Å; T767-Q769 VanDerWaalsContact O-N 3.08Å; T767-F770 PolarHBondContact O-N 3.33Å; T767-F770 VanDerWaalsContact O-N 3.16Å; T767-V771 PolarHBondContact O-N 2.86Å
768	D	48.5	Very low	47.8	Very low	98 Å²	98	103.6 Å²	103.6	52%	0.524	56%	0.561	S	S	.	*	H	α-helix	trans	-65.8	-7.3	174.4	-77.5	-25	0	0	0	113.9	P764 D766 R772	P764-D768 PolarHBondContact O-N 2.87Å; D766-D768 PolarHBondContact O-N 2.83Å; D768-R772 PolarHBondContact O-NE 3.17Å; D768-R772 PolarHBondContact O-NH2 2.92Å
769	Q	41.2	Very low	45.8	Very low	86 Å²	86	107.4 Å²	107.4	40%	0.402	57%	0.574	S	S	.	*	H	α-helix	trans	-96.9	-39.5	172.3	-156.7	160.3	38.9	0	0	111.5	D766 T767 V771 R772 E773	D766-Q769 WeakPolarHBondContact O-CB 3.49Å; D766-Q769 PolarHBondContact O-N 2.92Å; D766-Q769 VanDerWaalsContact O-N 3.1Å; T767-Q769 PolarHBondContact O-N 2.91Å; T767-Q769 VanDerWaalsContact O-N 3.08Å; Q769-V771 VanDerWaalsContact C-N 3.26Å; Q769-V771 PolarHBondContact O-N 2.85Å; Q769-R772 WeakPolarHBondContact O-CB 3.31Å; Q769-R772 PolarHBondContact O-N 3.08Å; Q769-E773 PolarHBondContact O-N 3.43Å; Q769-E773 VanDerWaalsContact O-N 3.12Å
770	F	34.8	Very low	43.9	Very low	106 Å²	106	108.5 Å²	108.5	47%	0.465	59%	0.585	S	S	.	*	H	α-helix	trans	-58.7	-31.5	175	-85	-80.6	0	0	0	114	D766 T767 N774	D766-F770 WeakPolarHBondContact O-CD2 3.48Å; D766-F770 PolarHBondContact O-N 3.5Å; T767-F770 PolarHBondContact O-N 3.33Å; T767-F770 VanDerWaalsContact O-N 3.16Å; F770-N774 PolarHBondContact O-ND2 3.24Å
771	V	35.6	Very low	42.1	Very low	107 Å²	107	111.3 Å²	111.3	65%	0.648	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-27.8	173.9	-178.9	0	0	0	0	111.9	T767 Q769	T767-V771 PolarHBondContact O-N 2.86Å; Q769-V771 VanDerWaalsContact C-N 3.26Å; Q769-V771 PolarHBondContact O-N 2.85Å
772	R	30.9	Very low	40.8	Very low	174 Å²	174	112 Å²	112	66%	0.657	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-37	-175.4	-111.9	175.2	-70.1	-148.6	-3.3	113.6	D768 Q769 N774 N775	D768-R772 PolarHBondContact O-NE 3.17Å; D768-R772 PolarHBondContact O-NH2 2.92Å; Q769-R772 WeakPolarHBondContact O-CB 3.31Å; Q769-R772 PolarHBondContact O-N 3.08Å; R772-N774 PolarHBondContact O-N 2.85Å; R772-N775 PolarHBondContact O-N 2.81Å; R772-N775 VanDerWaalsContact O-N 3.07Å
773	E	35	Very low	38.9	Very low	137 Å²	137	116.1 Å²	116.1	64%	0.64	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-18	-174.8	-71.1	179.6	-176.3	0	0	114	Q769	Q769-E773 PolarHBondContact O-N 3.43Å; Q769-E773 VanDerWaalsContact O-N 3.12Å
774	N	34.9	Very low	37.1	Very low	139 Å²	139	122.1 Å²	122.1	74%	0.743	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-17.9	173.4	-74	-54.4	0	0	0	114.3	F770 R772	F770-N774 PolarHBondContact O-ND2 3.24Å; R772-N774 PolarHBondContact O-N 2.85Å
775	N	31.1	Very low	35.5	Very low	134 Å²	134	128.5 Å²	128.5	72%	0.717	67%	0.665	S	S	*	*			trans	-105.9	79.4	-178.1	-83	-26.2	0	0	0	111.5	R772 C777	R772-N775 PolarHBondContact O-N 2.81Å; R772-N775 VanDerWaalsContact O-N 3.07Å; N775-C777 VanDerWaalsContact C-N 3.33Å; N775-C777 PolarHBondContact O-N 3.38Å
776	K	25	Very low	33.9	Very low	214 Å²	214	128.7 Å²	128.7	93%	0.93	68%	0.677	S	S	*	*			trans	-70.7	78.7	178.7	-171.8	-172.1	179.3	-177.8	0	112.2
777	C	25.7	Very low	32	Very low	123 Å²	123	135.7 Å²	135.7	83%	0.831	72%	0.715	S	S	*	*			trans	-132.5	136.6	167.7	-159.3	0	0	0	0	112.3	N775	N775-C777 VanDerWaalsContact C-N 3.33Å; N775-C777 PolarHBondContact O-N 3.38Å
778	T	24.7	Very low	30.9	Very low	123 Å²	123	142.5 Å²	142.5	76%	0.755	74%	0.738	S	S	*	*			trans	-73.3	129.4	-172.7	-50.3	0	0	0	0	112.5
779	L	26.6	Very low	29.8	Very low	167 Å²	167	141.8 Å²	141.8	87%	0.874	74%	0.738	S	S	*	*			trans	-153.3	165.8	137.4	-138.1	65.9	0	0	0	112.3
780	T	27.4	Very low	29.3	Very low	114 Å²	114	145.7 Å²	145.7	70%	0.699	76%	0.761	S	S	*	*			trans	-90.9	162.4	-162.4	46.5	0	0	0	0	114.5
781	T	28.3	Very low	28.9	Very low	129 Å²	129	145 Å²	145	79%	0.791	77%	0.768	S	S	*	*			trans	-46.9	131.8	155.3	45.7	0	0	0	0	112.5
782	V	29.1	Very low	28.6	Very low	129 Å²	129	148 Å²	148	78%	0.782	78%	0.779	S	S	*	*				-146.4	150.1	118	-155.2	0	0	0	0	107.7
783	D	27.9	Very low	28.4	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	78%	0.778	S	S	*	*			trans	-62.6	129.9	156.9	-53.3	-104.3	0	0	0	109.9
784	D	30.4	Very low	27.9	Very low	158 Å²	158	145.1 Å²	145.1	85%	0.845	78%	0.784	S	S	*	*			trans	-156.9	137.3	154.3	-127.3	-27.6	0	0	0	113.1
785	Y	27.4	Very low	27.6	Very low	231 Å²	231	143.3 Å²	143.3	91%	0.906	78%	0.782	S	S	*	*			trans	-104.7	110.4	177.6	-109.5	-105.2	0	0	0	108.7
786	S	26.9	Very low	27.2	Very low	104 Å²	104	144 Å²	144	73%	0.727	79%	0.787	S	S	*	*			trans	-151.5	102.8	164.5	-158.5	0	0	0	0	115.3	K788	S786-K788 PolarHBondContact O-N 3.29Å
787	N	26.2	Very low	27.4	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	78%	0.784	S	S	*	*			trans	23.6	91.2	135.8	-59.6	-28	0	0	0	118.2
788	K	31	Very low	27.5	Very low	214 Å²	214	142.7 Å²	142.7	93%	0.93	79%	0.786	S	S	*	*			trans	-153.6	81.6	147.2	-114.3	158.8	-171	174.3	0	112.3	S786	S786-K788 PolarHBondContact O-N 3.29Å
789	T	26.5	Very low	27.7	Very low	84 Å²	84	140.6 Å²	140.6	52%	0.515	79%	0.789	S	S	.	*			trans	-67.3	131.2	164.9	43.5	0	0	0	0	110.8	L1139	T789-L1139 HydrophobicContact CG2-CD2 4.22Å
790	N	29.5	Very low	27.8	Very low	168 Å²	168	139.6 Å²	139.6	90%	0.898	78%	0.784	S	S	*	*			trans	-148.9	100.3	158.2	-108.4	-9.5	0	0	0	109.5
791	P	27.6	Very low	27.9	Very low	92 Å²	92	139.9 Å²	139.9	60%	0.597	78%	0.781	S	S	*	*			trans	-97.9	120.2	178.6	34.2	-28.5	0	0	0	112.2
792	L	29	Very low	28	Very low	169 Å²	169	139.1 Å²	139.1	89%	0.885	77%	0.772	S	S	*	*			trans	-140.2	122.4	164.4	-122.9	67.9	0	0	0	105.6
793	I	26	Very low	28.1	Very low	123 Å²	123	139.1 Å²	139.1	63%	0.631	77%	0.768	S	S	*	*			cis	76	107.6	24	-45.9	-176.5	0	0	0	113.7
794	T	24.9	Very low	28.2	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	77%	0.766	S	S	*	*			trans	71.5	155.6	159.4	47.9	0	0	0	0	122.2
795	S	27.5	Very low	28.1	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	76%	0.759	S	S	*	*			trans	69.9	99.9	157	35.9	0	0	0	0	119.6
796	N	24.3	Very low	28.2	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	75%	0.752	S	S	*	*				9.8	126.3	118.6	-44.8	-6.3	0	0	0	116.3
797	L	29.5	Very low	28.3	Very low	168 Å²	168	134 Å²	134	88%	0.88	76%	0.757	S	S	*	*				-176.4	154.2	104.3	-96.7	163.1	0	0	0	111.5
798	T	26.2	Very low	28.4	Very low	141 Å²	141	134.1 Å²	134.1	87%	0.865	76%	0.757	S	S	*	*			trans	-74	137	173.6	42.2	0	0	0	0	111.9
799	G	29	Very low	28.1	Very low	79 Å²	79	130.4 Å²	130.4	81%	0.814	75%	0.747	S	S	*	*			trans	-152.4	125.8	167.1	0	0	0	0	0	108.8
800	N	29.4	Very low	28.5	Very low	146 Å²	146	132.7 Å²	132.7	78%	0.781	77%	0.767	S	S	*	*			trans	-111	173.3	-169.9	-151	65.4	0	0	0	110.7
801	N	30.1	Very low	28.2	Very low	120 Å²	120	132 Å²	132	64%	0.642	76%	0.762	S	S	*	*			trans	72.6	151	170.7	-57.5	38.7	0	0	0	116
802	D	30.7	Very low	28.2	Very low	113 Å²	113	135.4 Å²	135.4	60%	0.604	77%	0.768	S	S	*	*			cis	-167	158.8	-24.3	-103.4	-25.5	0	0	0	109.8
803	N	30	Very low	28	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	76%	0.764	S	S	*	*			trans	63.3	147.1	148.7	-67.2	-27.5	0	0	0	121
804	N	30.9	Very low	28	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	77%	0.771	S	S	*	*			trans	66.3	142.4	154.6	-58.6	-2	0	0	0	118.4
805	D	27.9	Very low	28.2	Very low	132 Å²	132	142 Å²	142	71%	0.706	77%	0.771	S	S	*	*			cis	-169.4	-175.7	-28.2	-140.8	-42.9	0	0	0	107.6
806	T	30	Very low	28.1	Very low	121 Å²	121	142.5 Å²	142.5	74%	0.742	77%	0.774	S	S	*	*			trans	54.7	93.3	157.2	47.6	0	0	0	0	117.6	L808	T806-L808 PolarHBondContact O-N 2.91Å
807	V	29	Very low	28.4	Very low	140 Å²	140	140.1 Å²	140.1	85%	0.848	77%	0.768	S	S	*	*			trans	-47.6	125.3	145.5	173.1	0	0	0	0	110.2
808	L	26.9	Very low	28.6	Very low	156 Å²	156	140 Å²	140	82%	0.817	77%	0.768	S	S	*	*			trans	-148.9	141.3	152.8	-145.1	74.9	0	0	0	114.8	T806	T806-L808 PolarHBondContact O-N 2.91Å
809	N	26.1	Very low	29	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	77%	0.767	S	S	*	*			trans	-47.2	145	176	-49.3	-76.1	0	0	0	115.7
810	S	33.4	Very low	29.3	Very low	132 Å²	132	144.5 Å²	144.5	92%	0.923	77%	0.768	S	S	*	*			trans	-150.2	113.8	134.3	-86.4	0	0	0	0	112.1
811	L	24.6	Very low	29.6	Very low	153 Å²	153	144.7 Å²	144.7	80%	0.801	77%	0.769	S	S	*	*			trans	-99.6	151.3	179.8	-169.4	80.9	0	0	0	109.2
812	K	27.5	Very low	29.8	Very low	165 Å²	165	143.8 Å²	143.8	72%	0.717	77%	0.772	S	S	*	*			trans	107.3	111.3	159.5	-59.9	165.1	-178.6	171.8	0	118.5
813	R	24.8	Very low	29.9	Very low	213 Å²	213	145.2 Å²	145.2	80%	0.804	78%	0.78	S	S	*	*				53.3	133.2	114.3	-89.9	-178.2	-78.1	-170	-8.1	122.3
814	K	25.7	Very low	29.9	Very low	178 Å²	178	145.3 Å²	145.3	77%	0.774	78%	0.78	S	S	*	*			trans	106.6	134.5	140.2	-81.9	-163.2	160.2	-162.5	0	119.9
815	H	28	Very low	29.9	Very low	167 Å²	167	145 Å²	145	77%	0.773	78%	0.777	S	S	*	*			trans	1	141.6	155.2	-47.7	-91.4	0	0	0	120.7
816	S	26.7	Very low	29.9	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	78%	0.776	S	S	*	*				-155.6	165	90.2	-158.5	0	0	0	0	112.1
817	C	29.4	Very low	29.9	Very low	99 Å²	99	146.3 Å²	146.3	67%	0.669	78%	0.782	S	S	*	*			trans	-87.7	162.2	150.8	-51.8	0	0	0	0	108.5
818	D	33.5	Very low	30.5	Very low	166 Å²	166	144.5 Å²	144.5	89%	0.888	77%	0.772	S	S	*	*			trans	-120.4	131	153.8	-71.2	-55.9	0	0	0	107.1
819	D	35	Very low	30.5	Very low	158 Å²	158	143.7 Å²	143.7	85%	0.845	77%	0.769	S	S	*	*			trans	-115.9	150.3	170.3	-82.9	-65.9	0	0	0	107.8
820	D	35.7	Very low	30.5	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	77%	0.768	S	S	*	*			trans	-77.6	164.4	-179.6	-83.4	-59.1	0	0	0	114.1
821	D	35.5	Very low	30.3	Very low	150 Å²	150	142 Å²	142	80%	0.802	76%	0.758	S	S	*	*			trans	62	99.1	159.4	-83.6	-33.6	0	0	0	120.4
822	S	34.7	Very low	30.5	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	76%	0.756	S	S	*	*				144.7	134.7	89.6	63.3	0	0	0	0	117.3
823	N	32.6	Very low	30.5	Very low	142 Å²	142	136.4 Å²	136.4	76%	0.759	75%	0.754	S	S	*	*			trans	57.2	123.3	148.1	-69.2	-42.2	0	0	0	123.7
824	N	30.2	Very low	30.7	Very low	131 Å²	131	132.8 Å²	132.8	70%	0.701	75%	0.75	S	S	*	*			trans	82.5	115.4	132.8	-79.5	-22	0	0	0	123.1
825	I	30.3	Very low	30.7	Very low	137 Å²	137	128 Å²	128	70%	0.703	74%	0.739	S	S	*	*				82.3	118.8	122.5	-66.7	171.1	0	0	0	119.6
826	S	27.8	Very low	30.6	Very low	98 Å²	98	129 Å²	129	69%	0.685	74%	0.741	S	S	*	*			trans	80.3	117.7	146.9	-76	0	0	0	0	123
827	Q	29.7	Very low	30.7	Very low	184 Å²	184	129 Å²	129	86%	0.86	74%	0.737	S	S	*	*			trans	91.8	151.5	131	-74.2	-172.2	-9.4	0	0	120.2
828	P	42.6	Very low	30.6	Very low	101 Å²	101	132.5 Å²	132.5	66%	0.656	74%	0.741	S	S	*	*			trans	-114.1	-154.8	-161.9	43.9	-30.6	0	0	0	112
829	N	26.1	Very low	30.3	Very low	140 Å²	140	129.4 Å²	129.4	75%	0.749	73%	0.732	S	S	*	*			trans	77.2	146.6	176.6	-57.6	-22.2	0	0	0	114.4
830	T	27	Very low	30	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	72%	0.723	S	S	*	*			cis	-161.6	157.7	-14.8	17.5	0	0	0	0	109.7
831	T	28.6	Very low	29.8	Very low	115 Å²	115	127.2 Å²	127.2	71%	0.706	72%	0.715	S	S	*	*			trans	31.6	117.2	135.5	-45.7	0	0	0	0	119.9	L833	T831-L833 HydrophobicContact CG2-CD1 3.78Å; T831-L833 HydrophobicContact CG2-CD2 4.42Å; T831-L833 HydrophobicContact CG2-CG 3.82Å
832	G	29.2	Very low	29.6	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	71%	0.707	S	S	*	*			trans	177.4	54.3	171.8	0	0	0	0	0	113.6
833	L	28.5	Very low	29.5	Very low	129 Å²	129	128.6 Å²	128.6	68%	0.675	71%	0.709	S	S	*	*				76.6	131.1	86	-76.2	171.1	0	0	0	115.3	T831	T831-L833 HydrophobicContact CG2-CD1 3.78Å; T831-L833 HydrophobicContact CG2-CD2 4.42Å; T831-L833 HydrophobicContact CG2-CG 3.82Å
834	N	27.4	Very low	29.4	Very low	137 Å²	137	126.6 Å²	126.6	73%	0.733	70%	0.698	S	S	*	*			trans	72.3	149.8	146.4	-65.2	-12.1	0	0	0	120.2
835	S	26.4	Very low	29.4	Very low	77 Å²	77	128.8 Å²	128.8	54%	0.538	71%	0.705	S	S	.	*			cis	-175.1	-176.4	-29.4	48.2	0	0	0	0	108.7
836	F	26.9	Very low	29.5	Very low	187 Å²	187	126.7 Å²	126.7	82%	0.82	70%	0.7	S	S	*	*			trans	75	138.6	170.2	-62.1	-80	0	0	0	117.6
837	V	28	Very low	29.6	Very low	112 Å²	112	128.6 Å²	128.6	68%	0.679	70%	0.701	S	S	*	*			cis	-161.4	178.7	-23.7	93.1	0	0	0	0	111.2
838	K	27.2	Very low	29.8	Very low	172 Å²	172	128.1 Å²	128.1	75%	0.748	70%	0.702	S	S	*	*			trans	-26.1	156.5	159.4	-54.2	159	-178	-178.1	0	114.8
839	S	28	Very low	29	Very low	101 Å²	101	127 Å²	127	71%	0.706	70%	0.697	S	S	*	*			cis	-155.5	163.4	37.9	-48.6	0	0	0	0	114.4
840	N	28	Very low	29.2	Very low	122 Å²	122	127.1 Å²	127.1	65%	0.652	70%	0.698	S	S	*	*				14.2	157.7	118.7	-43.2	11.7	0	0	0	119.1
841	E	31.3	Very low	29.3	Very low	146 Å²	146	127 Å²	127	68%	0.682	70%	0.696	S	S	*	*			cis	-107.7	156.8	3.6	-94.7	85.2	-134.6	0	0	111.4
842	Q	31	Very low	29.2	Very low	134 Å²	134	127.3 Å²	127.3	63%	0.626	70%	0.698	S	S	*	*				61.5	132.2	59.3	-135.1	-165.3	-26.2	0	0	110.1	D844	Q842-D844 WeakPolarHBondContact CG-OD2 3.45Å; Q842-D844 PolarHBondContact NE2-OD2 3.07Å
843	I	32.7	Very low	29	Very low	147 Å²	147	128.8 Å²	128.8	75%	0.754	70%	0.697	S	S	*	*			cis	-159.6	155.2	47.6	-76.8	167.6	0	0	0	108.4
844	D	30.3	Very low	28.9	Very low	100 Å²	100	130 Å²	130	54%	0.535	70%	0.703	S	S	.	*			cis	-169.6	136.1	-41.2	-86.6	-25.8	0	0	0	107.9	Q842	Q842-D844 WeakPolarHBondContact CG-OD2 3.45Å; Q842-D844 PolarHBondContact NE2-OD2 3.07Å
845	E	30.9	Very low	28.9	Very low	178 Å²	178	128.5 Å²	128.5	83%	0.832	70%	0.704	S	S	*	*			trans	66.4	169.8	142.1	-69.7	-132.1	128	0	0	122.8
846	P	32.6	Very low	29.2	Very low	92 Å²	92	131.3 Å²	131.3	60%	0.597	72%	0.72	S	S	*	*				-140.3	178	-53.7	41.8	-25.9	0	0	0	116
847	I	29.5	Very low	29.1	Very low	139 Å²	139	127.3 Å²	127.3	71%	0.713	72%	0.716	S	S	*	*			trans	-30.5	140.9	152.5	-58.6	146.3	0	0	0	114.7
848	I	33.5	Very low	29.1	Very low	174 Å²	174	126.8 Å²	126.8	89%	0.892	72%	0.716	S	S	*	*			trans	-139.5	125.9	134.3	-91.9	134.9	0	0	0	109.7
849	S	26.8	Very low	29.1	Very low	77 Å²	77	124 Å²	124	54%	0.538	72%	0.719	S	S	.	*			trans	-76.2	159.9	176.3	-50.2	0	0	0	0	112.4
850	N	30	Very low	29.1	Very low	143 Å²	143	124 Å²	124	77%	0.765	72%	0.719	S	S	*	*				173.6	107	111.1	-87.7	-15.4	0	0	0	115.6
851	T	27.6	Very low	29	Very low	111 Å²	111	123.2 Å²	123.2	68%	0.681	72%	0.723	S	S	*	*				40.3	124.3	120.5	60.6	0	0	0	0	122.7
852	V	26.7	Very low	28.8	Very low	122 Å²	122	121.6 Å²	121.6	74%	0.739	73%	0.728	S	S	*	*				65	110.6	125	-177.8	0	0	0	0	119.7
853	S	26.8	Very low	28.6	Very low	104 Å²	104	119 Å²	119	73%	0.727	73%	0.73	S	S	*	*				173.9	117.4	126.9	-78.7	0	0	0	0	109.1
854	L	26.4	Very low	28.4	Very low	154 Å²	154	119.9 Å²	119.9	81%	0.806	74%	0.735	S	S	*	*				64.2	98.6	82.5	-69.3	170.4	0	0	0	114.6
855	S	27.4	Very low	28.2	Very low	107 Å²	107	123.9 Å²	123.9	75%	0.748	75%	0.751	S	S	*	*				147	126.8	124.9	-65.1	0	0	0	0	113.3
856	P	30.8	Very low	28	Very low	135 Å²	135	125.5 Å²	125.5	88%	0.877	75%	0.751	S	S	*	*			trans	-98	129.1	166.8	34.5	-27.7	0	0	0	111.7
857	S	26.6	Very low	27.8	Very low	104 Å²	104	127.8 Å²	127.8	73%	0.727	75%	0.754	S	S	*	*			trans	-156.1	114.6	172.7	59	0	0	0	0	114.8
858	S	27.1	Very low	27.8	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	76%	0.755	S	S	*	*			trans	49.9	127.8	140.4	60.3	0	0	0	0	122.4
859	S	26.9	Very low	27.5	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	75%	0.753	S	S	*	*			trans	68.9	146.8	141.8	70.6	0	0	0	0	118.2
860	S	27.6	Very low	27.7	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	77%	0.766	S	S	*	*			cis	-153	176.5	6.7	40.7	0	0	0	0	111.2
861	S	26.1	Very low	27.6	Very low	105 Å²	105	131 Å²	131	73%	0.734	77%	0.77	S	S	*	*			trans	14	139.1	152.4	59.3	0	0	0	0	120
862	S	27.7	Very low	27.5	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	78%	0.782	S	S	*	*			cis	-165.8	153.4	35.2	52.8	0	0	0	0	114.7
863	A	26.5	Very low	27.5	Very low	81 Å²	81	137.7 Å²	137.7	67%	0.669	78%	0.783	S	S	*	*			trans	35.2	107.7	137.7	0	0	0	0	0	120.6
864	N	28.9	Very low	27.4	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	79%	0.789	S	S	*	*				170.4	157.2	106.2	-87.1	-9.3	0	0	0	112.4
865	E	26.1	Very low	27.4	Very low	184 Å²	184	137.1 Å²	137.1	86%	0.86	79%	0.786	S	S	*	*			trans	-86.8	147.4	-174.3	-60.8	160.9	101.6	0	0	113.3
866	Y	27.5	Very low	27.2	Very low	212 Å²	212	138 Å²	138	83%	0.831	79%	0.792	S	S	*	*			trans	-162.3	136.6	131.3	-132.2	-93.8	0	0	0	111.8	P868	Y866-P868 WeakPolarHBondContact O-CD 3.45Å
867	E	27.6	Very low	27	Very low	141 Å²	141	136.4 Å²	136.4	66%	0.659	78%	0.784	S	S	*	*			trans	-89.2	124.5	-174.4	-172.4	-154.7	-142.2	0	0	113.1	K869	E867-K869 WeakPolarHBondContact OE2-CE 3.47Å; E867-K869 IonicContact OE2-NZ 3.55Å
868	P	29.9	Very low	27	Very low	114 Å²	114	138.8 Å²	138.8	74%	0.74	79%	0.794	S	S	*	*			trans	-99.6	104.7	172.2	34.9	-29.4	0	0	0	113.1	Y866 A870	Y866-P868 WeakPolarHBondContact O-CD 3.45Å; P868-A870 PolarHBondContact O-N 3.14Å; P868-A870 VanDerWaalsContact O-N 3.08Å
869	K	26.8	Very low	27	Very low	193 Å²	193	138.9 Å²	138.9	84%	0.839	79%	0.794	S	S	*	*			trans	-64.3	104.5	173	-76.9	167.2	177.7	151.9	0	112.6	E867	E867-K869 WeakPolarHBondContact OE2-CE 3.47Å; E867-K869 IonicContact OE2-NZ 3.55Å
870	A	31.4	Very low	27	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	79%	0.788	S	S	*	*			trans	-116.6	161.7	177.3	0	0	0	0	0	113.6	P868	P868-A870 PolarHBondContact O-N 3.14Å; P868-A870 VanDerWaalsContact O-N 3.08Å
871	K	27.6	Very low	27.1	Very low	194 Å²	194	138.3 Å²	138.3	84%	0.843	79%	0.789	S	S	*	*			trans	-119.1	137.4	-170.5	-62.4	165.9	-177.6	162.1	0	112.1
872	R	25.3	Very low	27.3	Very low	245 Å²	245	140.9 Å²	140.9	93%	0.925	80%	0.795	S	S	*	*			trans	66.8	152.5	177.2	-49.6	173.4	176	170.6	-3.5	111.1
873	V	27	Very low	27.4	Very low	127 Å²	127	144 Å²	144	77%	0.77	80%	0.795	S	S	*	*			cis	-148.6	158.2	41.1	161.2	0	0	0	0	110
874	C	23.3	Very low	27.5	Very low	127 Å²	127	147.4 Å²	147.4	86%	0.858	80%	0.802	S	S	*	*			trans	-74.6	128.2	171.5	-53.3	0	0	0	0	111.4
875	V	27.2	Very low	27.7	Very low	120 Å²	120	148.5 Å²	148.5	73%	0.727	80%	0.801	S	S	*	*			trans	-134.4	124.8	159.5	-174.5	0	0	0	0	108.4
876	S	23	Very low	27.8	Very low	125 Å²	125	148.8 Å²	148.8	87%	0.874	80%	0.8	S	S	*	*			trans	-90.5	116.2	170.5	-60.2	0	0	0	0	108.9
877	S	27.4	Very low	28.1	Very low	102 Å²	102	144 Å²	144	71%	0.713	80%	0.797	S	S	*	*			trans	-131.9	100.6	173.8	-62.7	0	0	0	0	110.1
878	V	25.5	Very low	28.3	Very low	154 Å²	154	144.7 Å²	144.7	93%	0.933	81%	0.806	S	S	*	*			trans	-78.6	117.2	160.9	174.2	0	0	0	0	107.3
879	S	27.3	Very low	28.1	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	81%	0.806	S	S	*	*			trans	-159.2	107.5	161.2	-172	0	0	0	0	109
880	G	26.9	Very low	28.3	Very low	65 Å²	65	143.6 Å²	143.6	67%	0.67	81%	0.805	S	S	*	*			trans	-82.8	152.7	157.2	0	0	0	0	0	109.1
881	N	29.2	Very low	28.1	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	80%	0.799	S	S	*	*			trans	-157.2	77.8	170.9	-124.7	-21.4	0	0	0	110.1
882	D	30.1	Very low	28.2	Very low	160 Å²	160	144.8 Å²	144.8	86%	0.856	80%	0.8	S	S	*	*			trans	-65.6	135	167.3	-57.5	-71.7	0	0	0	110.2
883	K	31.5	Very low	28.2	Very low	176 Å²	176	141.5 Å²	141.5	77%	0.765	79%	0.794	S	S	*	*			trans	-144.8	123.8	159.8	-73.4	-160.3	175.9	-173.2	0	111.7
884	N	28.9	Very low	28.3	Very low	153 Å²	153	141.1 Å²	141.1	82%	0.818	79%	0.794	S	S	*	*			trans	66.5	134.2	174.8	-53.6	-22	0	0	0	114.1
885	E	32.2	Very low	28.4	Very low	186 Å²	186	138.3 Å²	138.3	87%	0.869	78%	0.78	S	S	*	*			cis	-129.2	107.5	26.6	-67.2	-176.3	121.5	0	0	115.4
886	K	28.5	Very low	28.3	Very low	191 Å²	191	136 Å²	136	83%	0.83	77%	0.769	S	S	*	*				28.9	95.4	115.8	-167.8	-170.4	-174.8	-175.3	0	118.3
887	S	32.6	Very low	28.4	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	76%	0.758	S	S	*	*			trans	-160.4	126	132.1	-2	0	0	0	0	113.5
888	D	31.7	Very low	28.3	Very low	156 Å²	156	133.9 Å²	133.9	83%	0.834	74%	0.739	S	S	*	*			trans	34.8	109.6	147.7	-54.3	-18.9	0	0	0	121.9
889	S	27.3	Very low	28.3	Very low	107 Å²	107	130 Å²	130	75%	0.748	72%	0.716	S	S	*	*			trans	-44.4	144.3	153	53.3	0	0	0	0	116.2
890	H	31	Very low	28.3	Very low	177 Å²	177	129.5 Å²	129.5	82%	0.819	71%	0.708	S	S	*	*				-147.3	156.9	110.4	-146.6	-87.8	0	0	0	113
891	I	26.5	Very low	28.2	Very low	137 Å²	137	131.9 Å²	131.9	70%	0.703	71%	0.71	S	S	*	*			trans	-96.7	130.3	-177.6	-61.3	159.4	0	0	0	109.9
892	Q	28.7	Very low	28.2	Very low	182 Å²	182	131.5 Å²	131.5	85%	0.85	71%	0.713	S	S	*	*			trans	-175.7	164.9	136.8	-104.4	163.5	-10.6	0	0	114.1
893	H	25.3	Very low	28	Very low	176 Å²	176	130.3 Å²	130.3	82%	0.815	71%	0.706	S	S	*	*			trans	-75.6	-175.1	170.7	-50	-96.4	0	0	0	110.6
894	P	29.7	Very low	27.9	Very low	119 Å²	119	129.7 Å²	129.7	77%	0.773	71%	0.712	S	S	*	*			cis	-144.7	-158.1	6	40.1	-16.1	0	0	0	115.3
895	A	26.8	Very low	27.8	Very low	68 Å²	68	129.6 Å²	129.6	56%	0.562	71%	0.711	S	S	*	*			trans	72	139.9	137.6	0	0	0	0	0	124	L171	L171-A895 WeakPolarHBondContact CD1-O 3.3Å
896	S	24.4	Very low	27.8	Very low	70 Å²	70	125 Å²	125	49%	0.49	71%	0.705	S	S	.	*			trans	-6.4	151.4	132.1	-44.4	0	0	0	0	120.1	L171	L171-S896 VanDerWaalsContact CB-CA 3.41Å
897	I	24.9	Very low	27.9	Very low	124 Å²	124	123 Å²	123	64%	0.636	70%	0.704	S	S	*	*			trans	71.5	142.9	160.4	-64.7	156.9	0	0	0	115	T169 I170	T169-I897 WeakPolarHBondContact O-CA 3.42Å; T169-I897 WeakPolarHBondContact O-CG1 3.42Å; I170-I897 PolarHBondContact O-N 3.17Å
898	N	25.7	Very low	27.9	Very low	59 Å²	59	125.9 Å²	125.9	32%	0.316	71%	0.705	S	S	.	*			cis	-139.7	172.8	5.4	-163.3	40.7	0	0	0	111.5	T169 T900	T169-N898 PolarHBondContact N-OD1 3.28Å; T169-N898 VanDerWaalsContact N-OD1 3.15Å; T169-N898 PolarHBondContact OG1-OD1 3.46Å; N898-T900 PolarHBondContact ND2-OG1 3.11Å; N898-T900 VanDerWaalsContact ND2-OG1 3.08Å
899	T	24.8	Very low	27.7	Very low	74 Å²	74	125.1 Å²	125.1	45%	0.454	70%	0.7	S	S	.	*			trans	-96.3	118.3	152.6	-69.3	0	0	0	0	110.2	T169 I170	T169-T899 VanDerWaalsContact CB-N 3.29Å; T169-T899 VanDerWaalsContact OG1-CB 3.25Å; T169-T899 WeakPolarHBondContact OG1-CB 3.37Å; T169-T899 PolarHBondContact OG1-N 3.44Å; I170-T899 VanDerWaalsContact CD1-OG1 3.26Å; I170-T899 WeakPolarHBondContact CD1-OG1 3.46Å
900	T	26.9	Very low	27.9	Very low	89 Å²	89	129.3 Å²	129.3	55%	0.546	71%	0.708	S	S	.	*			trans	-158.5	126	163.6	11.3	0	0	0	0	104.7	N898	N898-T900 PolarHBondContact ND2-OG1 3.11Å; N898-T900 VanDerWaalsContact ND2-OG1 3.08Å
901	T	24.7	Very low	27.7	Very low	116 Å²	116	127.2 Å²	127.2	71%	0.712	71%	0.707	S	S	*	*			cis	57.3	84.3	48.5	-48.7	0	0	0	0	111.7
902	T	29.1	Very low	27.8	Very low	130 Å²	130	126.4 Å²	126.4	80%	0.798	71%	0.711	S	S	*	*			trans	-128.1	96.3	161.1	48.7	0	0	0	0	108.7
903	N	26.5	Very low	27.9	Very low	135 Å²	135	124.4 Å²	124.4	72%	0.722	71%	0.711	S	S	*	*			trans	-66.3	144.4	156	-68	-9.7	0	0	0	107.8
904	N	30.6	Very low	27.9	Very low	163 Å²	163	123.1 Å²	123.1	87%	0.872	71%	0.71	S	S	*	*			trans	-149.4	140.3	141.2	-99.1	-35	0	0	0	108.6
905	N	26.4	Very low	28.1	Very low	152 Å²	152	125.9 Å²	125.9	81%	0.813	72%	0.717	S	S	*	*			trans	-95.7	144.3	-170	-36.4	-68.7	0	0	0	110.6
906	A	32.6	Very low	28.2	Very low	90 Å²	90	127.9 Å²	127.9	74%	0.744	72%	0.722	S	S	*	*			trans	-157.4	129.8	138.7	0	0	0	0	0	109.1
907	D	30.4	Very low	28.6	Very low	149 Å²	149	131.2 Å²	131.2	80%	0.797	74%	0.735	S	S	*	*			trans	8.9	152.1	134	-51.4	-53.8	0	0	0	119.5
908	E	31	Very low	29.2	Very low	170 Å²	170	132.7 Å²	132.7	79%	0.794	74%	0.737	S	S	*	*			cis	-151.4	178	15.9	-144.1	177.3	139.6	0	0	113.4
909	L	27.3	Very low	29.6	Very low	141 Å²	141	136.5 Å²	136.5	74%	0.738	76%	0.757	S	S	*	*			trans	-58.6	143.2	177.2	-63.1	125.5	0	0	0	113.8
910	Q	32.8	Very low	30.1	Very low	194 Å²	194	136.9 Å²	136.9	91%	0.907	78%	0.775	S	S	*	*				-167.5	154.2	116.8	-102	152.6	36.7	0	0	114.7
911	T	25.6	Very low	30.4	Very low	133 Å²	133	138 Å²	138	82%	0.816	79%	0.793	S	S	*	*			trans	-105.9	169.1	-169.8	23.2	0	0	0	0	112.7
912	P	29.4	Very low	30.7	Very low	121 Å²	121	135.8 Å²	135.8	79%	0.786	79%	0.794	S	S	*	*			trans	-92.8	170.7	-152.6	37.4	-39	0	0	0	115.7
913	T	31.8	Very low	30.8	Very low	139 Å²	139	135.9 Å²	135.9	85%	0.853	79%	0.794	S	S	*	*			trans	-133.2	144.6	168	-56.8	0	0	0	0	110.3
914	L	24.8	Very low	31	Very low	150 Å²	150	139 Å²	139	79%	0.785	80%	0.802	S	S	*	*			trans	-77.9	158.5	177.2	-63.8	96.3	0	0	0	112.5
915	L	32.5	Very low	30.9	Very low	177 Å²	177	138.1 Å²	138.1	93%	0.927	80%	0.796	S	S	*	*			trans	-140.5	141.9	152.7	-108	165.4	0	0	0	109.5
916	T	29	Very low	31.1	Very low	109 Å²	109	136.5 Å²	136.5	67%	0.669	79%	0.794	S	S	*	*			trans	-141.1	135	-169.8	52.2	0	0	0	0	111.5
917	D	34.5	Very low	30.9	Very low	140 Å²	140	137.5 Å²	137.5	75%	0.749	79%	0.791	S	S	*	*			trans	-158.4	130.8	150.4	-96.2	-32.4	0	0	0	106.5
918	K	36.9	Very low	31.1	Very low	156 Å²	156	138.3 Å²	138.3	68%	0.678	79%	0.794	S	S	*	*				73.3	134	69.8	-72.3	-179.1	135.4	-86.7	0	112.7
919	D	33.8	Very low	31.1	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	79%	0.792	S	S	*	*			cis	-147	158.5	-1.1	-95.5	-42.9	0	0	0	109.5
920	G	34.6	Very low	31.1	Very low	81 Å²	81	134.1 Å²	134.1	84%	0.835	80%	0.796	S	S	*	*			trans	166.3	81.9	174.4	0	0	0	0	0	117
921	A	34.1	Very low	31.3	Very low	112 Å²	112	130.1 Å²	130.1	93%	0.926	79%	0.787	S	S	*	*			trans	-90	162.6	171.1	0	0	0	0	0	111.8
922	G	31	Very low	31.6	Very low	70 Å²	70	132 Å²	132	72%	0.722	79%	0.791	S	S	*	*			cis	-149.7	-164.7	-1.6	0	0	0	0	0	109.6
923	V	32.1	Very low	31.4	Very low	132 Å²	132	131.1 Å²	131.1	80%	0.8	79%	0.787	S	S	*	*			cis	-167.1	129.3	48.3	144.7	0	0	0	0	109.9
924	F	29.1	Very low	31.2	Very low	201 Å²	201	130 Å²	130	88%	0.882	79%	0.785	S	S	*	*			trans	62.8	109.4	158.4	-78.3	-111.4	0	0	0	122.4
925	L	29.3	Very low	31.2	Very low	144 Å²	144	127.9 Å²	127.9	75%	0.754	78%	0.783	S	S	*	*			trans	-84.8	168.6	147.8	-72.4	158.8	0	0	0	110.2
926	P	30.4	Very low	31	Very low	119 Å²	119	124.9 Å²	124.9	77%	0.773	77%	0.772	S	S	*	*				-138.7	118.2	90.6	21.1	-0	0	0	0	113.5
927	T	27.9	Very low	30.9	Very low	110 Å²	110	127.7 Å²	127.7	68%	0.675	78%	0.781	S	S	*	*				74.2	152.8	87.8	45.9	0	0	0	0	117.9
928	L	34.6	Very low	30.7	Very low	166 Å²	166	130 Å²	130	87%	0.869	79%	0.785	S	S	*	*			trans	92.4	117.6	-178.2	-56	168.9	0	0	0	115.4
929	S	31.9	Very low	30.3	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	78%	0.783	S	S	*	*			cis	-152.1	135.8	-12.5	-51.4	0	0	0	0	110.9
930	S	27.7	Very low	30	Very low	116 Å²	116	128 Å²	128	81%	0.811	79%	0.785	S	S	*	*			trans	-102.1	-165.7	168.9	-22.8	0	0	0	0	109.6
931	P	36.3	Very low	29.8	Very low	110 Å²	110	132.5 Å²	132.5	71%	0.714	78%	0.784	S	S	*	*			cis	-124.2	-167.9	-45.5	37.9	-23.2	0	0	0	109.9
932	L	32.2	Very low	29.4	Very low	172 Å²	172	136 Å²	136	90%	0.901	78%	0.781	S	S	*	*				-172	153.9	128.5	-103.9	161.4	0	0	0	111.8
933	S	25.7	Very low	29.2	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	79%	0.786	S	S	*	*			trans	-116.3	174	-166.9	-57.3	0	0	0	0	113.1
934	S	26.6	Very low	29.2	Very low	115 Å²	115	137.5 Å²	137.5	80%	0.804	79%	0.786	S	S	*	*			trans	88.5	140	155.7	83	0	0	0	0	119.5
935	S	24.6	Very low	29.2	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	79%	0.789	S	S	*	*			trans	39.7	115.6	139.5	-162.6	0	0	0	0	119.7
936	V	29.7	Very low	29.1	Very low	114 Å²	114	133.1 Å²	133.1	69%	0.691	79%	0.788	S	S	*	*				-165.7	133.1	104	139	0	0	0	0	109.8	K938	V936-K938 HydrophobicContact CG1-CB 3.89Å; V936-K938 HydrophobicContact CG1-CD 4.39Å; V936-K938 HydrophobicContact CG1-CG 4.42Å; V936-K938 PolarHBondContact O-N 2.93Å
937	I	26.5	Very low	29.3	Very low	169 Å²	169	131.3 Å²	131.3	87%	0.867	78%	0.778	S	S	*	*			trans	-78.9	110.4	161.6	-62.6	172.1	0	0	0	107
938	K	29.9	Very low	29.9	Very low	189 Å²	189	129.1 Å²	129.1	82%	0.822	77%	0.767	S	S	*	*			trans	-144.1	128.2	159.8	-112.9	166.8	-174.7	174.6	0	111.5	V936	V936-K938 HydrophobicContact CG1-CB 3.89Å; V936-K938 HydrophobicContact CG1-CD 4.39Å; V936-K938 HydrophobicContact CG1-CG 4.42Å; V936-K938 PolarHBondContact O-N 2.93Å
939	T	28	Very low	30.5	Very low	104 Å²	104	127.4 Å²	127.4	64%	0.638	75%	0.754	S	S	*	*			trans	-74.1	130.1	-176.5	-37.5	0	0	0	0	110.8
940	D	28.6	Very low	31.2	Very low	149 Å²	149	129.4 Å²	129.4	80%	0.797	75%	0.749	S	S	*	*			trans	-135.3	85.7	156.8	-96.2	-47.6	0	0	0	109.9	Q942	D940-Q942 VanDerWaalsContact C-N 3.33Å; D940-Q942 PolarHBondContact O-N 3.44Å
941	H	29.2	Very low	32.3	Very low	175 Å²	175	125.3 Å²	125.3	81%	0.81	72%	0.718	S	S	*	*			trans	-77.6	81.3	171	-87.8	-66.1	0	0	0	110.1
942	Q	26.6	Very low	33	Very low	186 Å²	186	120.5 Å²	120.5	87%	0.869	69%	0.686	S	S	*	*			trans	-150.9	126.7	169.2	-110.5	163.1	94.8	0	0	111.7	D940	D940-Q942 VanDerWaalsContact C-N 3.33Å; D940-Q942 PolarHBondContact O-N 3.44Å
943	G	26.7	Very low	33.9	Very low	80 Å²	80	119 Å²	119	83%	0.825	68%	0.678	S	S	*	*			trans	93.7	44.8	161.9	0	0	0	0	0	118.9
944	L	31.1	Very low	35.1	Very low	153 Å²	153	122.9 Å²	122.9	80%	0.801	68%	0.677	S	S	*	*			trans	-115.3	34	167.8	-111.4	170.9	0	0	0	114.8	G946	L944-G946 VanDerWaalsContact C-N 3.34Å; L944-G946 PolarHBondContact O-N 3.09Å
945	I	29.9	Very low	36.4	Very low	182 Å²	182	120.6 Å²	120.6	93%	0.933	66%	0.659	S	S	*	*	S	Bend	trans	-84.1	79.1	163.6	-54.6	174.8	0	0	0	107.9
946	G	27.9	Very low	38.2	Very low	71 Å²	71	121.7 Å²	121.7	73%	0.732	66%	0.656	S	S	*	*			trans	144.2	77.4	170.5	0	0	0	0	0	117.1	L944	L944-G946 VanDerWaalsContact C-N 3.34Å; L944-G946 PolarHBondContact O-N 3.09Å
947	S	32.8	Very low	39.8	Very low	80 Å²	80	118.6 Å²	118.6	56%	0.559	64%	0.635	S	S	*	*			trans	-162	81.3	153.4	-179.3	0	0	0	0	110.4
948	S	40.7	Very low	41.9	Very low	64 Å²	64	116.3 Å²	116.3	45%	0.448	63%	0.629	S	S	.	*			trans	-90.9	8.2	-179.8	-172.6	0	0	0	0	113.9	K980	S948-K980 PolarHBondContact OG-NZ 2.89Å; S948-K980 VanDerWaalsContact OG-NZ 3.1Å
949	E	47.3	Very low	44	Very low	130 Å²	130	113 Å²	113	61%	0.607	61%	0.612	S	S	*	*			trans	-120.4	8.5	-155.8	-60.3	-176.2	177.8	0	0	115.3	Q1053	E949-Q1053 HydrophobicContact CB-CG 4.28Å; E949-Q1053 VanDerWaalsContact O-CG 3.32Å; E949-Q1053 WeakPolarHBondContact O-CG 3.16Å
950	K	46.4	Very low	46.5	Very low	150 Å²	150	111.3 Å²	111.3	65%	0.652	60%	0.599	S	S	*	*			trans	-103.1	134.3	176.9	-67.5	-168.8	176.1	-173.4	0	110.9	F952	K950-F952 PolarHBondContact O-N 3.21Å
951	L	50.8	Low	48.8	Very low	30 Å²	30	106.7 Å²	106.7	16%	0.157	58%	0.577	C	S	.	*	S	Bend	trans	-48	-43.6	178.6	-73.5	60.4	0	0	0	112.1	T1021 P1049 L1052	L951-T1021 VanDerWaalsContact CD2-O 3.25Å; L951-T1021 WeakPolarHBondContact CD2-O 3.36Å; L951-P1049 HydrophobicContact CD1-CB 4.23Å; L951-P1049 HydrophobicContact CD2-CB 3.89Å; L951-P1049 HydrophobicContact CD2-CG 4.15Å; L951-P1049 HydrophobicContact CG-CB 4.29Å; L951-L1052 HydrophobicContact CB-CB 4Å; L951-L1052 HydrophobicContact CB-CD1 4.08Å; L951-L1052 HydrophobicContact CD2-CD1 4.11Å; L951-L1052 HydrophobicContact CG-CB 3.81Å; L951-L1052 HydrophobicContact CG-CD1 3.96Å
952	F	52.9	Low	51.2	Low	10 Å²	10	106.5 Å²	106.5	4%	0.044	58%	0.577	C	S	.	*	B	Isolated β-bridge	trans	-135.8	150.9	-169.6	-61.3	-79.6	0	0	0	110.3	K950 R954 T955 R976 L977 C1023	K950-F952 PolarHBondContact O-N 3.21Å; F952-R954 VanDerWaalsContact CB-O 3.25Å; F952-R954 WeakPolarHBondContact CB-O 3.39Å; F952-R954 PolarHBondContact O-N 3.1Å; F952-T955 HydrophobicContact CB-CG2 4.01Å; F952-T955 HydrophobicContact CD2-CG2 3.21Å; F952-T955 HydrophobicContact CE2-CG2 3.86Å; F952-T955 HydrophobicContact CG-CG2 3.92Å; F952-R976 CarbonylContact C-O 3.45Å; F952-R976 WeakPolarHBondContact CA-O 3.49Å; F952-R976 HydrophobicContact CB-CB 4.11Å; F952-R976 HydrophobicContact CD1-CB 3.43Å; F952-R976 VanDerWaalsContact CD1-CB 3.43Å; F952-R976 HydrophobicContact CE1-CB 4.19Å; F952-R976 HydrophobicContact CG-CB 4.16Å; F952-L977 HydrophobicContact CD1-CD2 4.39Å; F952-L977 HydrophobicContact CE1-CD2 4.14Å; F952-C1023 HydrophobicContact CE1-CB 4.21Å; F952-C1023 HydrophobicContact CZ-CB 3.94Å
953	L	51.2	Low	53.8	Low	139 Å²	139	99.1 Å²	99.1	73%	0.728	55%	0.546	S	S	*	.	S	Bend	trans	-63.7	-23.9	169	-67.8	170.9	0	0	0	112.1	R976	L953-R976 PolarHBondContact N-O 3.21Å
954	R	49.4	Very low	56.5	Low	184 Å²	184	102.1 Å²	102.1	69%	0.694	54%	0.543	S	S	*	.			trans	-150	134.6	173.2	-146.9	172.6	-172.2	150.6	1.5	110.3	F952 R976	F952-R954 VanDerWaalsContact CB-O 3.25Å; F952-R954 WeakPolarHBondContact CB-O 3.39Å; F952-R954 PolarHBondContact O-N 3.1Å; R954-R976 PolarHBondContact O-NE 3.44Å
955	T	55.1	Low	59	Low	68 Å²	68	97.6 Å²	97.6	42%	0.417	52%	0.523	S	S	.	.			trans	-135.8	118.2	169.4	27.1	0	0	0	0	108.6	F952	F952-T955 HydrophobicContact CB-CG2 4.01Å; F952-T955 HydrophobicContact CD2-CG2 3.21Å; F952-T955 HydrophobicContact CE2-CG2 3.86Å; F952-T955 HydrophobicContact CG-CG2 3.92Å
956	D	60.8	Low	61.5	Low	129 Å²	129	92 Å²	92	69%	0.69	49%	0.494	S	S	*	.			trans	-92.1	-14.9	171.5	-45.9	-62.1	0	0	0	110.8
957	I	65.2	Low	64.2	Low	48 Å²	48	96.9 Å²	96.9	25%	0.246	50%	0.498	C	S	.	.	S	Bend	trans	-82.7	122.5	171	-51.8	172.7	0	0	0	109.7	L966 N1020 T1021	I957-L966 HydrophobicContact CD1-CD1 3.88Å; I957-N1020 WeakPolarHBondContact CD1-O 3.31Å; I957-N1020 HydrophobicContact CG2-CB 4.18Å; I957-T1021 HydrophobicContact CG2-CG2 4.13Å
958	V	69	Low	66.6	Low	121 Å²	121	99.2 Å²	99.2	73%	0.733	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-90.1	136.9	173.4	-180	0	0	0	0	109.2	N960	V958-N960 PolarHBondContact O-N 3.31Å
959	Y	75.2	Confident	68.7	Low	119 Å²	119	96.5 Å²	96.5	47%	0.467	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-62.9	116.1	171.8	171.9	-95.6	0	0	0	110.2	P961 D1015 G1017	Y959-P961 HydrophobicContact CE1-CG 4.46Å; Y959-D1015 WeakPolarHBondContact CE2-OD1 3.49Å; Y959-D1015 PolarHBondContact OH-OD1 3.16Å; Y959-D1015 PolarHBondContact OH-OD2 3.14Å; Y959-G1017 VanDerWaalsContact CD2-C 3.46Å
960	N	78.9	Confident	70.3	Confident	70 Å²	70	92.9 Å²	92.9	37%	0.374	47%	0.468	S	S	.	.			trans	-134.9	112.4	174.1	177.3	16.7	0	0	0	108.7	V958 E962 S963 G1017	V958-N960 PolarHBondContact O-N 3.31Å; N960-E962 PolarHBondContact O-N 2.7Å; N960-E962 PolarHBondContact OD1-N 3.44Å; N960-E962 VanDerWaalsContact OD1-N 3.12Å; N960-S963 PolarHBondContact ND2-N 3.1Å; N960-S963 PolarHBondContact O-N 3.12Å; N960-S963 PolarHBondContact O-OG 3.42Å; N960-G1017 WeakPolarHBondContact O-CA 3.45Å; N960-G1017 PolarHBondContact O-N 3.02Å
961	P	78.3	Confident	71.7	Confident	52 Å²	52	90.9 Å²	90.9	34%	0.338	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.4	-179.4	28.5	-34.4	0	0	0	113.1	Y959 D1015	Y959-P961 HydrophobicContact CE1-CG 4.46Å; P961-D1015 HydrophobicContact CB-CB 3.89Å
962	E	79.2	Confident	73.1	Confident	170 Å²	170	92.7 Å²	92.7	79%	0.794	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	8.8	-177.2	-44.3	-67.7	141.9	0	0	113.2	N960	N960-E962 PolarHBondContact O-N 2.7Å; N960-E962 PolarHBondContact OD1-N 3.44Å; N960-E962 VanDerWaalsContact OD1-N 3.12Å
963	S	81.6	Confident	74.3	Confident	32 Å²	32	92.3 Å²	92.3	22%	0.224	48%	0.477	C	S	.	.	S	Bend	trans	-88	146.3	172.1	56.8	0	0	0	0	111.3	N960 A1016 N1020	N960-S963 PolarHBondContact ND2-N 3.1Å; N960-S963 PolarHBondContact O-N 3.12Å; N960-S963 PolarHBondContact O-OG 3.42Å; S963-A1016 WeakPolarHBondContact O-CB 3.17Å; S963-N1020 PolarHBondContact OG-ND2 2.96Å
964	D	82.7	Confident	75.7	Confident	142 Å²	142	87 Å²	87	76%	0.759	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-58.9	150.3	172.6	-56.8	-67.4	0	0	0	112.6	L966 N1020	D964-L966 PolarHBondContact O-N 3.26Å; D964-N1020 PolarHBondContact O-ND2 3.44Å
965	P	83.4	Confident	76.9	Confident	59 Å²	59	84.4 Å²	84.4	38%	0.383	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-63.4	130.7	174.3	-18.6	30.7	0	0	0	111.9	A1016 W1019	P965-A1016 HydrophobicContact CG-CB 3.86Å; P965-W1019 HydrophobicContact CB-CG 4.33Å
966	L	83.9	Confident	77.6	Confident	64 Å²	64	82.2 Å²	82.2	34%	0.335	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-68.6	129.9	172.9	-71.1	169.5	0	0	0	110.9	I957 D964 F969 W1019 N1020	I957-L966 HydrophobicContact CD1-CD1 3.88Å; D964-L966 PolarHBondContact O-N 3.26Å; L966-F969 HydrophobicContact CB-CE2 4.02Å; L966-F969 HydrophobicContact CB-CZ 4.07Å; L966-F969 VanDerWaalsContact O-CE2 3.27Å; L966-F969 WeakPolarHBondContact O-CE2 3.44Å; L966-W1019 PolarHBondContact O-NE1 2.89Å; L966-N1020 WeakPolarHBondContact CB-OD1 3.47Å; L966-N1020 HydrophobicContact CD1-CB 4.05Å; L966-N1020 HydrophobicContact CG-CB 4.44Å; L966-N1020 VanDerWaalsContact CG-OD1 3.29Å; L966-N1020 WeakPolarHBondContact CG-OD1 3.25Å; L966-N1020 PolarHBondContact N-OD1 3.3Å
967	E	83.3	Confident	78.2	Confident	174 Å²	174	76.1 Å²	76.1	81%	0.813	40%	0.4	S	S	*	.	S	Bend	trans	-84.1	-23.6	170.9	-60	-173.9	163.3	0	0	112.4
968	E	83.9	Confident	78.5	Confident	129 Å²	129	75.2 Å²	75.2	60%	0.603	40%	0.396	S	S	*	.			trans	-124.3	135.2	179.2	-176.1	168.6	-147.4	0	0	112.2	S999 H1000	E968-S999 CarbonylContact C-O 3.57Å; E968-S999 VanDerWaalsContact CA-O 3.31Å; E968-S999 WeakPolarHBondContact CA-O 3.05Å; E968-H1000 IonicContact OE1-CE1 2.81Å; E968-H1000 PolarHBondContact OE1-CE1 2.87Å
969	F	84.9	Confident	78.6	Confident	6 Å²	6	73 Å²	73	3%	0.026	38%	0.384	C	S	.	.			trans	-122.6	147.7	179.3	-72.1	-102	0	0	0	111.7	L966 T971 S999 P1001 W1019 H1024	L966-F969 HydrophobicContact CB-CE2 4.02Å; L966-F969 HydrophobicContact CB-CZ 4.07Å; L966-F969 VanDerWaalsContact O-CE2 3.27Å; L966-F969 WeakPolarHBondContact O-CE2 3.44Å; F969-T971 PolarHBondContact O-N 2.93Å; F969-S999 PolarHBondContact N-O 3.49Å; F969-S999 VanDerWaalsContact O-CA 3.23Å; F969-S999 WeakPolarHBondContact O-CA 3.31Å; F969-S999 VanDerWaalsContact O-CB 3.23Å; F969-S999 WeakPolarHBondContact O-CB 3.49Å; F969-P1001 HydrophobicContact CD2-CG 3.7Å; F969-P1001 HydrophobicContact CE2-CG 3.6Å; F969-W1019 AromaticContact CE2-CE2 4Å; F969-W1019 HydrophobicContact CE2-CZ2 4.21Å; F969-W1019 AromaticContact CE2-NE1 3.58Å; F969-W1019 AromaticContact CZ-CD1 3.78Å; F969-W1019 HydrophobicContact CZ-CG 4.45Å; F969-W1019 AromaticContact CZ-NE1 3.46Å; F969-H1024 AromaticContact CD1-CD2 3.82Å; F969-H1024 AromaticContact CE1-CD2 3.54Å; F969-H1024 AromaticContact CE1-NE2 3.43Å; F969-H1024 WeakPolarHBondContact CE1-NE2 3.32Å; F969-H1024 AromaticContact CE2-NE2 3.94Å; F969-H1024 AromaticContact CZ-CD2 3.73Å; F969-H1024 AromaticContact CZ-CE1 3.77Å; F969-H1024 AromaticContact CZ-NE2 3.28Å; F969-H1024 VanDerWaalsContact CZ-NE2 3.28Å; F969-H1024 WeakPolarHBondContact CZ-NE2 3.21Å
970	P	80.4	Confident	78.4	Confident	55 Å²	55	73.2 Å²	73.2	36%	0.357	39%	0.388	S	S	.	.			trans	-56.3	134.9	176	-28.2	36.6	0	0	0	113.5	D972 Q973	P970-D972 WeakPolarHBondContact CB-OD1 3.4Å; P970-D972 PolarHBondContact O-N 3.12Å; P970-Q973 WeakPolarHBondContact O-CG 3.15Å; P970-Q973 PolarHBondContact O-N 3.38Å; P970-Q973 PolarHBondContact O-NE2 3.04Å
971	T	76.8	Confident	78.1	Confident	108 Å²	108	70.4 Å²	70.4	66%	0.663	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.8	177.6	-29.5	0	0	0	0	112.6	F969 Q973	F969-T971 PolarHBondContact O-N 2.93Å; T971-Q973 PolarHBondContact O-N 2.81Å
972	D	79.1	Confident	78	Confident	68 Å²	68	70.5 Å²	70.5	36%	0.364	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	3.9	-177.5	86.3	-33.8	0	0	0	114.7	P970 L974 N975 R976	P970-D972 WeakPolarHBondContact CB-OD1 3.4Å; P970-D972 PolarHBondContact O-N 3.12Å; D972-L974 VanDerWaalsContact C-N 3.28Å; D972-L974 PolarHBondContact O-N 3.34Å; D972-L974 VanDerWaalsContact O-N 3.08Å; D972-N975 WeakPolarHBondContact O-CA 3.49Å; D972-N975 WeakPolarHBondContact O-CB 3.44Å; D972-N975 PolarHBondContact O-N 3.16Å; D972-R976 PolarHBondContact O-N 2.84Å; D972-R976 WeakPolarHBondContact OD1-CD 3.45Å; D972-R976 IonicContact OD1-NH1 3.87Å; D972-R976 PolarHBondContact OD1-NH1 3.15Å; D972-R976 WeakPolarHBondContact OD2-CD 3.4Å; D972-R976 WeakPolarHBondContact OD2-CG 3.41Å
973	Q	78.9	Confident	78	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.009	36%	0.358	C	S	.	.	H	α-helix	trans	-43	-45.8	-177.7	-87.6	169.5	91.3	0	0	114.4	P970 T971 R976 L977 N998 H1024	P970-Q973 WeakPolarHBondContact O-CG 3.15Å; P970-Q973 PolarHBondContact O-N 3.38Å; P970-Q973 PolarHBondContact O-NE2 3.04Å; T971-Q973 PolarHBondContact O-N 2.81Å; Q973-R976 PolarHBondContact O-N 3.16Å; Q973-L977 PolarHBondContact O-N 2.75Å; Q973-N998 PolarHBondContact NE2-O 3.14Å; Q973-H1024 PolarHBondContact OE1-O 3.03Å
974	L	79.2	Confident	77.6	Confident	27 Å²	27	70 Å²	70	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-43.9	176.2	-83.2	97.9	0	0	0	112.7	D972 R976 L977 L982 I985 E996 L1025	D972-L974 VanDerWaalsContact C-N 3.28Å; D972-L974 PolarHBondContact O-N 3.34Å; D972-L974 VanDerWaalsContact O-N 3.08Å; L974-R976 PolarHBondContact O-N 2.94Å; L974-R976 VanDerWaalsContact O-N 3.17Å; L974-L977 HydrophobicContact CG-CD1 4.39Å; L974-L977 WeakPolarHBondContact O-CB 3.36Å; L974-L977 PolarHBondContact O-N 2.7Å; L974-L982 HydrophobicContact CB-CD2 4.37Å; L974-L982 HydrophobicContact CD2-CD2 4.4Å; L974-L982 WeakPolarHBondContact O-CD2 3.32Å; L974-I985 HydrophobicContact CD2-CD1 4.27Å; L974-I985 HydrophobicContact CD2-CG2 4.08Å; L974-E996 VanDerWaalsContact CD1-C 3.42Å; L974-L1025 HydrophobicContact CD1-CD2 3.63Å; L974-L1025 HydrophobicContact CG-CD2 4.03Å
975	N	75.3	Confident	77.4	Confident	129 Å²	129	64.1 Å²	64.1	69%	0.69	34%	0.335	S	S	*	.	H	α-helix	trans	-61.7	-27.4	-177.5	-61.6	-27.9	0	0	0	112	D972	D972-N975 WeakPolarHBondContact O-CA 3.49Å; D972-N975 WeakPolarHBondContact O-CB 3.44Å; D972-N975 PolarHBondContact O-N 3.16Å
976	R	70.4	Confident	77.2	Confident	23 Å²	23	64.4 Å²	64.4	9%	0.087	34%	0.338	C	S	.	.	H	α-helix	trans	-80.9	-20.7	177.1	-72.1	163.6	52.6	-157.5	-6.5	113.3	F952 L953 R954 D972 Q973 L974	F952-R976 CarbonylContact C-O 3.45Å; F952-R976 WeakPolarHBondContact CA-O 3.49Å; F952-R976 HydrophobicContact CB-CB 4.11Å; F952-R976 HydrophobicContact CD1-CB 3.43Å; F952-R976 VanDerWaalsContact CD1-CB 3.43Å; F952-R976 HydrophobicContact CE1-CB 4.19Å; F952-R976 HydrophobicContact CG-CB 4.16Å; L953-R976 PolarHBondContact N-O 3.21Å; R954-R976 PolarHBondContact O-NE 3.44Å; D972-R976 PolarHBondContact O-N 2.84Å; D972-R976 WeakPolarHBondContact OD1-CD 3.45Å; D972-R976 IonicContact OD1-NH1 3.87Å; D972-R976 PolarHBondContact OD1-NH1 3.15Å; D972-R976 WeakPolarHBondContact OD2-CD 3.4Å; D972-R976 WeakPolarHBondContact OD2-CG 3.41Å; Q973-R976 PolarHBondContact O-N 3.16Å; L974-R976 PolarHBondContact O-N 2.94Å; L974-R976 VanDerWaalsContact O-N 3.17Å
977	L	73.4	Confident	77	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-62	155.3	-176.2	-71.6	175.6	0	0	0	113.5	F952 Q973 L974 I981 L982 I985 C1023 L1052	F952-L977 HydrophobicContact CD1-CD2 4.39Å; F952-L977 HydrophobicContact CE1-CD2 4.14Å; Q973-L977 PolarHBondContact O-N 2.75Å; L974-L977 HydrophobicContact CG-CD1 4.39Å; L974-L977 WeakPolarHBondContact O-CB 3.36Å; L974-L977 PolarHBondContact O-N 2.7Å; L977-I981 HydrophobicContact CD1-CG2 4.26Å; L977-L982 HydrophobicContact CB-CD2 4.47Å; L977-L982 HydrophobicContact CB-CG 4.21Å; L977-I985 HydrophobicContact CD1-CD1 3.61Å; L977-C1023 HydrophobicContact CD2-CB 4.19Å; L977-L1052 HydrophobicContact CD2-CD2 3.56Å
978	N	70.1	Confident	76.6	Confident	29 Å²	29	61.6 Å²	61.6	16%	0.155	32%	0.323	C	S	.	.			trans	-58.5	133.2	171.7	-169.9	-57.1	0	0	0	111.6	K980 I981 L982	N978-K980 PolarHBondContact O-N 3.18Å; N978-K980 WeakPolarHBondContact OD1-CB 3.42Å; N978-K980 PolarHBondContact OD1-N 3Å; N978-I981 HydrophobicContact CB-CD1 4.24Å; N978-I981 HydrophobicContact CB-CG1 4.25Å; N978-I981 WeakPolarHBondContact O-CB 3.48Å; N978-I981 PolarHBondContact O-N 2.64Å; N978-L982 PolarHBondContact O-N 2.9Å; N978-L982 VanDerWaalsContact O-N 3.15Å
979	P	72.3	Confident	76.1	Confident	74 Å²	74	61.3 Å²	61.3	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-52.4	-28.9	178.6	-31.1	36.7	0	0	0	115.7	I981 L982 I983	P979-I981 VanDerWaalsContact C-N 3.33Å; P979-I981 PolarHBondContact O-N 3.39Å; P979-L982 PolarHBondContact O-N 3.42Å; P979-I983 WeakPolarHBondContact O-CD1 3.34Å; P979-I983 VanDerWaalsContact O-CG1 3.3Å; P979-I983 WeakPolarHBondContact O-CG1 3.12Å; P979-I983 PolarHBondContact O-N 2.92Å
980	K	70.2	Confident	75.5	Confident	125 Å²	125	65.1 Å²	65.1	54%	0.543	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-43.8	172.9	-68	173	177.5	171.2	0	111.9	S948 N978 I983 E984	S948-K980 PolarHBondContact OG-NZ 2.89Å; S948-K980 VanDerWaalsContact OG-NZ 3.1Å; N978-K980 PolarHBondContact O-N 3.18Å; N978-K980 WeakPolarHBondContact OD1-CB 3.42Å; N978-K980 PolarHBondContact OD1-N 3Å; K980-I983 PolarHBondContact O-N 3.49Å; K980-E984 PolarHBondContact O-N 3.46Å
981	I	72.8	Confident	75.1	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.051	36%	0.357	C	S	.	.	H	α-helix	trans	-75.1	-36.3	-177.4	-54.8	-178.6	0	0	0	109.9	L977 N978 P979 I983 E984 I985 L1047 L1052	L977-I981 HydrophobicContact CD1-CG2 4.26Å; N978-I981 HydrophobicContact CB-CD1 4.24Å; N978-I981 HydrophobicContact CB-CG1 4.25Å; N978-I981 WeakPolarHBondContact O-CB 3.48Å; N978-I981 PolarHBondContact O-N 2.64Å; P979-I981 VanDerWaalsContact C-N 3.33Å; P979-I981 PolarHBondContact O-N 3.39Å; I981-I983 VanDerWaalsContact C-N 3.35Å; I981-I983 PolarHBondContact O-N 2.99Å; I981-E984 WeakPolarHBondContact O-CA 3.3Å; I981-E984 WeakPolarHBondContact O-CB 3.43Å; I981-E984 PolarHBondContact O-N 2.87Å; I981-I985 HydrophobicContact CG2-CD1 4.12Å; I981-I985 WeakPolarHBondContact O-CG1 3.32Å; I981-I985 PolarHBondContact O-N 3.29Å; I981-L1047 HydrophobicContact CG2-CD1 4.18Å; I981-L1052 HydrophobicContact CD1-CB 4.48Å; I981-L1052 HydrophobicContact CD1-CD2 3.59Å
982	L	76.9	Confident	75	Confident	55 Å²	55	64.9 Å²	64.9	29%	0.288	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-43.9	169.9	-73.1	171.9	0	0	0	112	L974 L977 N978 P979 E984 I985 S986	L974-L982 HydrophobicContact CB-CD2 4.37Å; L974-L982 HydrophobicContact CD2-CD2 4.4Å; L974-L982 WeakPolarHBondContact O-CD2 3.32Å; L977-L982 HydrophobicContact CB-CD2 4.47Å; L977-L982 HydrophobicContact CB-CG 4.21Å; N978-L982 PolarHBondContact O-N 2.9Å; N978-L982 VanDerWaalsContact O-N 3.15Å; P979-L982 PolarHBondContact O-N 3.42Å; L982-E984 PolarHBondContact O-N 3.42Å; L982-I985 PolarHBondContact O-N 2.88Å; L982-S986 PolarHBondContact O-N 3.13Å; L982-S986 PolarHBondContact O-OG 2.7Å
983	I	78.1	Confident	75	Confident	107 Å²	107	62.1 Å²	62.1	55%	0.549	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-28.7	174	-69.9	162.7	0	0	0	112.2	P979 K980 I981 K987	P979-I983 WeakPolarHBondContact O-CD1 3.34Å; P979-I983 VanDerWaalsContact O-CG1 3.3Å; P979-I983 WeakPolarHBondContact O-CG1 3.12Å; P979-I983 PolarHBondContact O-N 2.92Å; K980-I983 PolarHBondContact O-N 3.49Å; I981-I983 VanDerWaalsContact C-N 3.35Å; I981-I983 PolarHBondContact O-N 2.99Å; I983-K987 VanDerWaalsContact O-CE 3.24Å; I983-K987 WeakPolarHBondContact O-CE 3.01Å; I983-K987 WeakPolarHBondContact O-CG 3.25Å
984	E	74.1	Confident	75.1	Confident	85 Å²	85	65.6 Å²	65.6	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-76.7	-43.7	173.4	-74.1	174.1	-169.9	0	0	112.6	K980 I981 L982 S986 K987 Y1051	K980-E984 PolarHBondContact O-N 3.46Å; I981-E984 WeakPolarHBondContact O-CA 3.3Å; I981-E984 WeakPolarHBondContact O-CB 3.43Å; I981-E984 PolarHBondContact O-N 2.87Å; L982-E984 PolarHBondContact O-N 3.42Å; E984-S986 VanDerWaalsContact C-N 3.32Å; E984-S986 PolarHBondContact O-N 3.4Å; E984-K987 WeakPolarHBondContact O-CB 3.48Å; E984-K987 PolarHBondContact O-N 3.37Å; E984-Y1051 PolarHBondContact OE2-OH 3.37Å
985	I	78.2	Confident	75.4	Confident	18 Å²	18	65.1 Å²	65.1	9%	0.092	35%	0.345	C	S	.	.	H	α-helix	trans	-60.7	-40.4	174.4	-68.9	168.4	0	0	0	111.1	L974 L977 I981 L982 K987 L988 V995 L1025	L974-I985 HydrophobicContact CD2-CD1 4.27Å; L974-I985 HydrophobicContact CD2-CG2 4.08Å; L977-I985 HydrophobicContact CD1-CD1 3.61Å; I981-I985 HydrophobicContact CG2-CD1 4.12Å; I981-I985 WeakPolarHBondContact O-CG1 3.32Å; I981-I985 PolarHBondContact O-N 3.29Å; L982-I985 PolarHBondContact O-N 2.88Å; I985-K987 PolarHBondContact O-N 2.69Å; I985-K987 VanDerWaalsContact O-N 3.12Å; I985-L988 VanDerWaalsContact O-CB 3.3Å; I985-L988 WeakPolarHBondContact O-CB 3.18Å; I985-L988 PolarHBondContact O-N 2.91Å; I985-V995 HydrophobicContact CG2-CB 3.75Å; I985-V995 HydrophobicContact CG2-CG1 3.95Å; I985-V995 HydrophobicContact CG2-CG2 4.01Å; I985-L1025 HydrophobicContact CD1-CD1 4.12Å
986	S	78.4	Confident	75.9	Confident	65 Å²	65	62.5 Å²	62.5	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-58	-25.8	174.7	-60.7	0	0	0	0	113.6	L982 E984 L988 Q989	L982-S986 PolarHBondContact O-N 3.13Å; L982-S986 PolarHBondContact O-OG 2.7Å; E984-S986 VanDerWaalsContact C-N 3.32Å; E984-S986 PolarHBondContact O-N 3.4Å; S986-L988 VanDerWaalsContact C-N 3.25Å; S986-L988 PolarHBondContact O-N 3.47Å; S986-Q989 PolarHBondContact O-N 3.29Å
987	K	79.6	Confident	76.5	Confident	122 Å²	122	62.2 Å²	62.2	53%	0.53	33%	0.332	S	S	.	.	H	α-helix	trans	-72.1	-19.1	175.9	-61.5	160.5	-165.3	157.1	0	112.5	I983 E984 I985 A990	I983-K987 VanDerWaalsContact O-CE 3.24Å; I983-K987 WeakPolarHBondContact O-CE 3.01Å; I983-K987 WeakPolarHBondContact O-CG 3.25Å; E984-K987 WeakPolarHBondContact O-CB 3.48Å; E984-K987 PolarHBondContact O-N 3.37Å; I985-K987 PolarHBondContact O-N 2.69Å; I985-K987 VanDerWaalsContact O-N 3.12Å; K987-A990 WeakPolarHBondContact O-CB 3.45Å; K987-A990 PolarHBondContact O-N 2.84Å
988	L	75.6	Confident	77.1	Confident	56 Å²	56	62.9 Å²	62.9	29%	0.293	34%	0.336	S	S	.	.	H	α-helix	trans	-74.4	-28	176.6	-59.6	173.7	0	0	0	112	I985 S986 A990 I991 I993 V995	I985-L988 VanDerWaalsContact O-CB 3.3Å; I985-L988 WeakPolarHBondContact O-CB 3.18Å; I985-L988 PolarHBondContact O-N 2.91Å; S986-L988 VanDerWaalsContact C-N 3.25Å; S986-L988 PolarHBondContact O-N 3.47Å; L988-A990 PolarHBondContact O-N 3.11Å; L988-I991 HydrophobicContact CD2-CD1 4.11Å; L988-I991 WeakPolarHBondContact O-CG1 3.14Å; L988-I991 PolarHBondContact O-N 3.47Å; L988-I993 CarbonylContact C-O 3.46Å; L988-I993 HydrophobicContact CB-CB 4.35Å; L988-I993 PolarHBondContact O-N 3.42Å; L988-I993 VanDerWaalsContact O-N 3.14Å; L988-V995 HydrophobicContact CB-CG2 4.14Å; L988-V995 HydrophobicContact CD1-CG2 3.84Å
989	Q	74	Confident	77.9	Confident	124 Å²	124	62.6 Å²	62.6	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-60	-34.3	171.7	-62.6	179.8	-15.4	0	0	111.5	S986 I991 N992 I993	S986-Q989 PolarHBondContact O-N 3.29Å; Q989-I991 PolarHBondContact O-N 3.35Å; Q989-I991 VanDerWaalsContact O-N 3.14Å; Q989-N992 PolarHBondContact O-N 2.86Å; Q989-I993 WeakPolarHBondContact CA-O 3.41Å; Q989-I993 PolarHBondContact N-O 2.86Å
990	A	72	Confident	78.4	Confident	86 Å²	86	64.3 Å²	64.3	71%	0.711	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.7	176.7	0	0	0	0	0	114.8	K987 L988	K987-A990 WeakPolarHBondContact O-CB 3.45Å; K987-A990 PolarHBondContact O-N 2.84Å; L988-A990 PolarHBondContact O-N 3.11Å
991	I	70.9	Confident	79	Confident	80 Å²	80	59 Å²	59	41%	0.41	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	25.5	168.6	59.1	170.3	0	0	0	112.3	L988 Q989 I993	L988-I991 HydrophobicContact CD2-CD1 4.11Å; L988-I991 WeakPolarHBondContact O-CG1 3.14Å; L988-I991 PolarHBondContact O-N 3.47Å; Q989-I991 PolarHBondContact O-N 3.35Å; Q989-I991 VanDerWaalsContact O-N 3.14Å; I991-I993 VanDerWaalsContact C-N 3.32Å; I991-I993 HydrophobicContact CD1-CD1 3.78Å; I991-I993 HydrophobicContact CD1-CG1 4.42Å; I991-I993 HydrophobicContact CG1-CD1 4.08Å; I991-I993 HydrophobicContact CG1-CG1 4.16Å; I991-I993 PolarHBondContact O-N 2.9Å
992	N	75.7	Confident	79.1	Confident	77 Å²	77	60.6 Å²	60.6	41%	0.412	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	35.1	-178.5	-65.6	10.1	0	0	0	113.8	Q989 L1030 D1031	Q989-N992 PolarHBondContact O-N 2.86Å; N992-L1030 HydrophobicContact CB-CB 4.31Å; N992-L1030 PolarHBondContact O-N 2.87Å; N992-D1031 HydrophobicContact CB-CB 4.41Å
993	I	78.1	Confident	78.9	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.056	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.2	172.5	-59.3	178.7	0	0	0	109.8	L988 Q989 I991 V995 L1027 Y1029	L988-I993 CarbonylContact C-O 3.46Å; L988-I993 HydrophobicContact CB-CB 4.35Å; L988-I993 PolarHBondContact O-N 3.42Å; L988-I993 VanDerWaalsContact O-N 3.14Å; Q989-I993 WeakPolarHBondContact CA-O 3.41Å; Q989-I993 PolarHBondContact N-O 2.86Å; I991-I993 VanDerWaalsContact C-N 3.32Å; I991-I993 HydrophobicContact CD1-CD1 3.78Å; I991-I993 HydrophobicContact CD1-CG1 4.42Å; I991-I993 HydrophobicContact CG1-CD1 4.08Å; I991-I993 HydrophobicContact CG1-CG1 4.16Å; I991-I993 PolarHBondContact O-N 2.9Å; I993-V995 HydrophobicContact CG2-CG2 4.15Å; I993-L1027 HydrophobicContact CG2-CB 4.08Å; I993-L1027 HydrophobicContact CG2-CD2 4.27Å; I993-L1027 HydrophobicContact CG2-CG 4.17Å; I993-Y1029 HydrophobicContact CD1-CD1 4.21Å; I993-Y1029 HydrophobicContact CD1-CE1 3.62Å; I993-Y1029 HydrophobicContact CG1-CD1 3.78Å; I993-Y1029 HydrophobicContact CG1-CE1 3.73Å; I993-Y1029 HydrophobicContact CG1-CG 4.47Å
994	Q	82.1	Confident	78.6	Confident	74 Å²	74	58 Å²	58	35%	0.346	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.9	166	175.5	168.5	-3	0	0	109	E996 T1028 L1030	Q994-E996 HydrophobicContact CG-CG 4.1Å; Q994-E996 PolarHBondContact NE2-OE1 3.09Å; Q994-T1028 WeakPolarHBondContact CB-O 3.49Å; Q994-T1028 PolarHBondContact N-O 2.93Å; Q994-T1028 PolarHBondContact O-N 3.33Å; Q994-L1030 HydrophobicContact CB-CD2 4.03Å; Q994-L1030 HydrophobicContact CB-CG 4.11Å
995	V	84.5	Confident	78.3	Confident	18 Å²	18	60.9 Å²	60.9	11%	0.109	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.5	-176.6	-173.1	0	0	0	0	108.7	I985 L988 I993 L1025 K1026 L1027	I985-V995 HydrophobicContact CG2-CB 3.75Å; I985-V995 HydrophobicContact CG2-CG1 3.95Å; I985-V995 HydrophobicContact CG2-CG2 4.01Å; L988-V995 HydrophobicContact CB-CG2 4.14Å; L988-V995 HydrophobicContact CD1-CG2 3.84Å; I993-V995 HydrophobicContact CG2-CG2 4.15Å; V995-L1025 HydrophobicContact CG1-CB 4.22Å; V995-L1025 HydrophobicContact CG1-CD1 4.13Å; V995-L1025 HydrophobicContact CG1-CD2 4.31Å; V995-L1025 HydrophobicContact CG1-CG 4.47Å; V995-K1026 WeakPolarHBondContact CA-O 3.18Å; V995-L1027 HydrophobicContact CG1-CD1 4.31Å; V995-L1027 HydrophobicContact CG2-CG 4.3Å
996	E	85.6	Confident	77.8	Confident	74 Å²	74	65.9 Å²	65.9	35%	0.346	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151	-169.2	-67.5	168	148.1	0	0	110.2	L974 Q994 N998 L1025 K1026	L974-E996 VanDerWaalsContact CD1-C 3.42Å; Q994-E996 HydrophobicContact CG-CG 4.1Å; Q994-E996 PolarHBondContact NE2-OE1 3.09Å; E996-N998 PolarHBondContact O-N 3.32Å; E996-L1025 WeakPolarHBondContact O-CA 3.2Å; E996-K1026 PolarHBondContact N-O 3.08Å; E996-K1026 PolarHBondContact O-N 3.29Å
997	G	85.1	Confident	76.9	Confident	16 Å²	16	64.1 Å²	64.1	17%	0.165	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.3	176.3	0	0	0	0	0	108.6
998	N	85.2	Confident	75.7	Confident	15 Å²	15	67.6 Å²	67.6	8%	0.08	37%	0.366	C	S	.	.			trans	-88.9	115.1	-179.3	-165.5	22.5	0	0	0	109.8	Q973 E996 H1000 P1001 H1024 K1026 Y1044	Q973-N998 PolarHBondContact NE2-O 3.14Å; E996-N998 PolarHBondContact O-N 3.32Å; N998-H1000 VanDerWaalsContact ND2-C 3.28Å; N998-H1000 PolarHBondContact ND2-O 3.18Å; N998-H1000 PolarHBondContact OD1-N 3.06Å; N998-H1000 PolarHBondContact OD1-O 2.79Å; N998-P1001 VanDerWaalsContact ND2-CA 3.26Å; N998-P1001 WeakPolarHBondContact ND2-CA 3.37Å; N998-H1024 HydrophobicContact CB-CB 4.32Å; N998-H1024 PolarHBondContact N-O 3.24Å; N998-K1026 HydrophobicContact CB-CB 4.2Å; N998-Y1044 WeakPolarHBondContact ND2-CD1 3.4Å; N998-Y1044 VanDerWaalsContact ND2-CE1 3.32Å; N998-Y1044 WeakPolarHBondContact ND2-CE1 3.01Å
999	S	85.7	Confident	74.6	Confident	23 Å²	23	67.9 Å²	67.9	16%	0.161	37%	0.373	C	S	.	.	S	Bend	trans	-75.7	-28.6	172.8	52.8	0	0	0	0	112.5	E968 F969 P1001	E968-S999 CarbonylContact C-O 3.57Å; E968-S999 VanDerWaalsContact CA-O 3.31Å; E968-S999 WeakPolarHBondContact CA-O 3.05Å; F969-S999 PolarHBondContact N-O 3.49Å; F969-S999 VanDerWaalsContact O-CA 3.23Å; F969-S999 WeakPolarHBondContact O-CA 3.31Å; F969-S999 VanDerWaalsContact O-CB 3.23Å; F969-S999 WeakPolarHBondContact O-CB 3.49Å; S999-P1001 WeakPolarHBondContact O-CD 2.89Å
1000	H	84.6	Confident	73.6	Confident	110 Å²	110	62.1 Å²	62.1	51%	0.509	35%	0.345	S	S	.	.	S	Bend	trans	-125.1	80.5	-177.8	-46.2	-61.9	0	0	0	109.9	E968 N998	E968-H1000 IonicContact OE1-CE1 2.81Å; E968-H1000 PolarHBondContact OE1-CE1 2.87Å; N998-H1000 VanDerWaalsContact ND2-C 3.28Å; N998-H1000 PolarHBondContact ND2-O 3.18Å; N998-H1000 PolarHBondContact OD1-N 3.06Å; N998-H1000 PolarHBondContact OD1-O 2.79Å
1001	P	81.3	Confident	72.6	Confident	14 Å²	14	62.4 Å²	62.4	9%	0.091	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-59.4	144.4	165.8	26.9	-33.4	0	0	0	110.7	F969 N998 S999 W1019 H1024	F969-P1001 HydrophobicContact CD2-CG 3.7Å; F969-P1001 HydrophobicContact CE2-CG 3.6Å; N998-P1001 VanDerWaalsContact ND2-CA 3.26Å; N998-P1001 WeakPolarHBondContact ND2-CA 3.37Å; S999-P1001 WeakPolarHBondContact O-CD 2.89Å; P1001-W1019 HydrophobicContact CB-CH2 3.95Å; P1001-W1019 HydrophobicContact CB-CZ2 4.08Å; P1001-W1019 HydrophobicContact CG-CH2 4.05Å; P1001-W1019 HydrophobicContact CG-CZ2 3.64Å; P1001-H1024 HydrophobicContact CB-CB 4.41Å; P1001-H1024 WeakPolarHBondContact CB-ND1 3.22Å
1002	P	75.7	Confident	72.1	Confident	42 Å²	42	61.5 Å²	61.5	27%	0.273	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-57.2	157	165.3	-15.7	28.7	0	0	0	109.9	D1006 M1007 W1019 Y1044	P1002-D1006 HydrophobicContact CB-CB 4.07Å; P1002-M1007 HydrophobicContact CB-CG 3.93Å; P1002-M1007 HydrophobicContact CB-SD 4.37Å; P1002-M1007 HydrophobicContact CG-CG 4.1Å; P1002-M1007 HydrophobicContact CG-SD 3.93Å; P1002-W1019 WeakPolarHBondContact O-CH2 3.44Å; P1002-Y1044 HydrophobicContact CG-CD2 4.42Å
1003	C	73.2	Confident	71.7	Confident	62 Å²	62	59 Å²	59	42%	0.419	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-53.9	152.5	-174.3	-173.1	0	0	0	0	112.5	D1005 D1006 M1007	C1003-D1005 PolarHBondContact O-N 2.68Å; C1003-D1005 VanDerWaalsContact O-N 3.1Å; C1003-D1006 HydrophobicContact CB-CB 4.31Å; C1003-D1006 VanDerWaalsContact CB-OD2 3.31Å; C1003-D1006 WeakPolarHBondContact CB-OD2 3.36Å; C1003-D1006 PolarHBondContact N-OD2 3.45Å; C1003-D1006 WeakPolarHBondContact O-CB 3.45Å; C1003-D1006 PolarHBondContact O-N 3.3Å; C1003-M1007 PolarHBondContact O-N 2.95Å
1004	I	71.8	Confident	71.3	Confident	46 Å²	46	63.9 Å²	63.9	24%	0.236	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.6	174.2	-167.2	168.3	0	0	0	112.6	C1013 W1019	I1004-C1013 HydrophobicContact CD1-CB 3.95Å; I1004-W1019 HydrophobicContact CB-CD2 4.4Å; I1004-W1019 HydrophobicContact CB-CE3 3.81Å; I1004-W1019 HydrophobicContact CB-CH2 4.26Å; I1004-W1019 HydrophobicContact CB-CZ3 3.7Å; I1004-W1019 HydrophobicContact CD1-CB 4.45Å; I1004-W1019 HydrophobicContact CD1-CD2 4.34Å; I1004-W1019 HydrophobicContact CD1-CE3 3.89Å; I1004-W1019 HydrophobicContact CG1-CE3 3.77Å; I1004-W1019 HydrophobicContact CG1-CZ3 3.98Å
1005	D	67.8	Low	70.9	Confident	146 Å²	146	62 Å²	62	78%	0.781	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.2	174.7	-68.1	-42.6	0	0	0	114.4	C1003	C1003-D1005 PolarHBondContact O-N 2.68Å; C1003-D1005 VanDerWaalsContact O-N 3.1Å
1006	D	66.1	Low	70.7	Confident	123 Å²	123	62 Å²	62	66%	0.658	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-21.7	-175.6	-77.1	-43	0	0	0	113.1	P1002 C1003	P1002-D1006 HydrophobicContact CB-CB 4.07Å; C1003-D1006 HydrophobicContact CB-CB 4.31Å; C1003-D1006 VanDerWaalsContact CB-OD2 3.31Å; C1003-D1006 WeakPolarHBondContact CB-OD2 3.36Å; C1003-D1006 PolarHBondContact N-OD2 3.45Å; C1003-D1006 WeakPolarHBondContact O-CB 3.45Å; C1003-D1006 PolarHBondContact O-N 3.3Å
1007	M	60.9	Low	70.3	Confident	27 Å²	27	58.5 Å²	58.5	13%	0.133	34%	0.338	C	S	.	.			trans	-106.6	106.2	-171.1	-71.5	-146.6	65.5	0	0	113	P1002 C1003 S1009 Y1010	P1002-M1007 HydrophobicContact CB-CG 3.93Å; P1002-M1007 HydrophobicContact CB-SD 4.37Å; P1002-M1007 HydrophobicContact CG-CG 4.1Å; P1002-M1007 HydrophobicContact CG-SD 3.93Å; C1003-M1007 PolarHBondContact O-N 2.95Å; M1007-S1009 PolarHBondContact O-N 3.21Å; M1007-Y1010 HydrophobicContact CB-CD2 3.47Å; M1007-Y1010 VanDerWaalsContact CB-CD2 3.47Å; M1007-Y1010 HydrophobicContact CB-CE2 4.15Å; M1007-Y1010 HydrophobicContact CB-CG 3.88Å; M1007-Y1010 HydrophobicContact CE-CD2 3.89Å; M1007-Y1010 HydrophobicContact CE-CE2 3.57Å; M1007-Y1010 HydrophobicContact CG-CD2 4.11Å; M1007-Y1010 HydrophobicContact CG-CE2 4.3Å; M1007-Y1010 WeakPolarHBondContact O-CA 3.5Å; M1007-Y1010 WeakPolarHBondContact O-CB 3.29Å; M1007-Y1010 PolarHBondContact O-N 2.89Å; M1007-Y1010 HydrophobicContact SD-CD2 3.67Å; M1007-Y1010 HydrophobicContact SD-CE2 3.27Å; M1007-Y1010 WeakPolarHBondContact SD-CE2 3.48Å
1008	E	54.3	Low	70	Confident	196 Å²	196	58.4 Å²	58.4	92%	0.916	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-30.3	178	-64.8	-171.5	148.7	0	0	114.2	Y1010	E1008-Y1010 VanDerWaalsContact C-N 3.34Å
1009	S	51.8	Low	69.8	Low	62 Å²	62	58 Å²	58	43%	0.434	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.5	176.8	50.7	0	0	0	0	114.3	M1007 T1012	M1007-S1009 PolarHBondContact O-N 3.21Å; S1009-T1012 PolarHBondContact O-OG1 3.43Å
1010	Y	52.9	Low	69.7	Low	2 Å²	2	57.2 Å²	57.2	1%	0.008	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.4	-176.5	-78.4	-116.4	0	0	0	114.5	M1007 E1008 T1012 C1013 W1019 H1024 R1046	M1007-Y1010 HydrophobicContact CB-CD2 3.47Å; M1007-Y1010 VanDerWaalsContact CB-CD2 3.47Å; M1007-Y1010 HydrophobicContact CB-CE2 4.15Å; M1007-Y1010 HydrophobicContact CB-CG 3.88Å; M1007-Y1010 HydrophobicContact CE-CD2 3.89Å; M1007-Y1010 HydrophobicContact CE-CE2 3.57Å; M1007-Y1010 HydrophobicContact CG-CD2 4.11Å; M1007-Y1010 HydrophobicContact CG-CE2 4.3Å; M1007-Y1010 WeakPolarHBondContact O-CA 3.5Å; M1007-Y1010 WeakPolarHBondContact O-CB 3.29Å; M1007-Y1010 PolarHBondContact O-N 2.89Å; M1007-Y1010 HydrophobicContact SD-CD2 3.67Å; M1007-Y1010 HydrophobicContact SD-CE2 3.27Å; M1007-Y1010 WeakPolarHBondContact SD-CE2 3.48Å; E1008-Y1010 VanDerWaalsContact C-N 3.34Å; Y1010-T1012 PolarHBondContact O-N 3.44Å; Y1010-C1013 PolarHBondContact O-N 2.86Å; Y1010-W1019 AromaticContact CD1-CE3 3.71Å; Y1010-W1019 HydrophobicContact CD1-CE3 3.71Å; Y1010-W1019 HydrophobicContact CD1-CH2 4.2Å; Y1010-W1019 AromaticContact CD1-CZ3 3.21Å; Y1010-W1019 HydrophobicContact CD1-CZ3 3.21Å; Y1010-W1019 HydrophobicContact CE1-CE3 4.09Å; Y1010-W1019 HydrophobicContact CE1-CH2 4.13Å; Y1010-W1019 AromaticContact CE1-CZ3 3.51Å; Y1010-W1019 HydrophobicContact CE1-CZ3 3.51Å; Y1010-W1019 HydrophobicContact CG-CZ3 4.16Å; Y1010-H1024 AromaticContact CE1-CE1 3.66Å; Y1010-H1024 AromaticContact CE1-ND1 3.59Å; Y1010-H1024 AromaticContact CZ-ND1 3.98Å; Y1010-H1024 PolarHBondContact OH-ND1 2.87Å; Y1010-R1046 HydrophobicContact CD1-CB 4.06Å; Y1010-R1046 HydrophobicContact CD1-CG 4.25Å; Y1010-R1046 HydrophobicContact CE1-CB 3.53Å; Y1010-R1046 HydrophobicContact CE1-CG 3.74Å; Y1010-R1046 HydrophobicContact CE2-CB 4.07Å; Y1010-R1046 PolarHBondContact OH-N 3.03Å
1011	A	50.8	Low	69.4	Low	93 Å²	93	52.5 Å²	52.5	77%	0.769	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	16.6	164.9	0	0	0	0	0	114.6
1012	T	61	Low	69.3	Low	60 Å²	60	52 Å²	52	37%	0.368	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-11.5	174	48.4	0	0	0	0	113.1	S1009 Y1010 L1014 R1046 W1059	S1009-T1012 PolarHBondContact O-OG1 3.43Å; Y1010-T1012 PolarHBondContact O-N 3.44Å; T1012-L1014 PolarHBondContact O-N 2.82Å; T1012-R1046 PolarHBondContact OG1-NH1 2.97Å; T1012-R1046 PolarHBondContact OG1-NH2 2.85Å; T1012-R1046 VanDerWaalsContact OG1-NH2 3.1Å; T1012-W1059 HydrophobicContact CG2-CE3 4.05Å; T1012-W1059 HydrophobicContact CG2-CZ3 3.92Å
1013	C	67.4	Low	69.5	Low	25 Å²	25	50 Å²	50	17%	0.169	29%	0.288	C	S	.	.			trans	-60.5	129.2	172.2	-69.5	0	0	0	0	110	I1004 Y1010 E1018	I1004-C1013 HydrophobicContact CD1-CB 3.95Å; Y1010-C1013 PolarHBondContact O-N 2.86Å; C1013-E1018 WeakPolarHBondContact CA-OE2 3.39Å
1014	L	68.9	Low	70	Confident	113 Å²	113	47.1 Å²	47.1	59%	0.592	27%	0.268	S	S	*	.	S	Bend	trans	-70.1	-38	171.8	-67	174.7	0	0	0	112.1	T1012 E1018	T1012-L1014 PolarHBondContact O-N 2.82Å; L1014-E1018 PolarHBondContact N-OE2 2.92Å
1015	D	74.8	Confident	70.6	Confident	36 Å²	36	45.2 Å²	45.2	19%	0.193	26%	0.258	C	S	.	.	S	Bend	trans	-163.2	174.4	-174.1	54.8	68	0	0	0	110.2	Y959 P961 G1017 E1018 W1019	Y959-D1015 WeakPolarHBondContact CE2-OD1 3.49Å; Y959-D1015 PolarHBondContact OH-OD1 3.16Å; Y959-D1015 PolarHBondContact OH-OD2 3.14Å; P961-D1015 HydrophobicContact CB-CB 3.89Å; D1015-G1017 VanDerWaalsContact C-N 3.26Å; D1015-G1017 PolarHBondContact O-N 3.22Å; D1015-G1017 WeakPolarHBondContact OD1-CA 3.24Å; D1015-G1017 PolarHBondContact OD1-N 3.43Å; D1015-E1018 PolarHBondContact O-N 2.89Å; D1015-E1018 PolarHBondContact OD1-N 3.18Å; D1015-W1019 PolarHBondContact O-N 3.5Å
1016	A	78.9	Confident	71.4	Confident	17 Å²	17	40.2 Å²	40.2	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-71.6	-18.7	178.3	0	0	0	0	0	113.3	S963 P965 W1019 N1020	S963-A1016 WeakPolarHBondContact O-CB 3.17Å; P965-A1016 HydrophobicContact CG-CB 3.86Å; A1016-W1019 WeakPolarHBondContact O-CB 3.42Å; A1016-W1019 PolarHBondContact O-N 3.41Å; A1016-N1020 VanDerWaalsContact O-CB 3.32Å; A1016-N1020 WeakPolarHBondContact O-CB 3.44Å; A1016-N1020 PolarHBondContact O-N 3.14Å; A1016-N1020 PolarHBondContact O-ND2 2.93Å; A1016-N1020 PolarHBondContact O-OD1 3.49Å
1017	G	79.1	Confident	72.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-38.5	170.9	0	0	0	0	0	112.5	Y959 N960 D1015 N1020 T1021	Y959-G1017 VanDerWaalsContact CD2-C 3.46Å; N960-G1017 WeakPolarHBondContact O-CA 3.45Å; N960-G1017 PolarHBondContact O-N 3.02Å; D1015-G1017 VanDerWaalsContact C-N 3.26Å; D1015-G1017 PolarHBondContact O-N 3.22Å; D1015-G1017 WeakPolarHBondContact OD1-CA 3.24Å; D1015-G1017 PolarHBondContact OD1-N 3.43Å; G1017-N1020 PolarHBondContact O-N 3.07Å; G1017-T1021 WeakPolarHBondContact O-CB 3.3Å; G1017-T1021 PolarHBondContact O-N 3.17Å; G1017-T1021 PolarHBondContact O-OG1 2.7Å
1018	E	77.7	Confident	73.2	Confident	15 Å²	15	34.8 Å²	34.8	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-40.2	172.8	-162.1	-148.8	132.5	0	0	111.2	C1013 L1014 D1015 T1021 S1022 R1046 T1048 P1049	C1013-E1018 WeakPolarHBondContact CA-OE2 3.39Å; L1014-E1018 PolarHBondContact N-OE2 2.92Å; D1015-E1018 PolarHBondContact O-N 2.89Å; D1015-E1018 PolarHBondContact OD1-N 3.18Å; E1018-T1021 PolarHBondContact O-N 2.79Å; E1018-S1022 WeakPolarHBondContact O-CB 3.49Å; E1018-S1022 PolarHBondContact O-N 2.97Å; E1018-S1022 PolarHBondContact O-OG 3.38Å; E1018-R1046 IonicContact OE1-CZ 3.71Å; E1018-R1046 IonicContact OE1-NE 2.73Å; E1018-R1046 PolarHBondContact OE1-NE 3.29Å; E1018-R1046 IonicContact OE1-NH2 2.71Å; E1018-R1046 PolarHBondContact OE1-NH2 2.9Å; E1018-T1048 WeakPolarHBondContact OE1-CG2 3.29Å; E1018-P1049 HydrophobicContact CG-CG 3.96Å
1019	W	82.2	Confident	74.2	Confident	5 Å²	5	29.4 Å²	29.4	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-55.5	171.3	173.8	-87.6	0	0	0	110.7	P965 L966 F969 P1001 P1002 I1004 Y1010 D1015 A1016 T1021 S1022 H1024	P965-W1019 HydrophobicContact CB-CG 4.33Å; L966-W1019 PolarHBondContact O-NE1 2.89Å; F969-W1019 AromaticContact CE2-CE2 4Å; F969-W1019 HydrophobicContact CE2-CZ2 4.21Å; F969-W1019 AromaticContact CE2-NE1 3.58Å; F969-W1019 AromaticContact CZ-CD1 3.78Å; F969-W1019 HydrophobicContact CZ-CG 4.45Å; F969-W1019 AromaticContact CZ-NE1 3.46Å; P1001-W1019 HydrophobicContact CB-CH2 3.95Å; P1001-W1019 HydrophobicContact CB-CZ2 4.08Å; P1001-W1019 HydrophobicContact CG-CH2 4.05Å; P1001-W1019 HydrophobicContact CG-CZ2 3.64Å; P1002-W1019 WeakPolarHBondContact O-CH2 3.44Å; I1004-W1019 HydrophobicContact CB-CD2 4.4Å; I1004-W1019 HydrophobicContact CB-CE3 3.81Å; I1004-W1019 HydrophobicContact CB-CH2 4.26Å; I1004-W1019 HydrophobicContact CB-CZ3 3.7Å; I1004-W1019 HydrophobicContact CD1-CB 4.45Å; I1004-W1019 HydrophobicContact CD1-CD2 4.34Å; I1004-W1019 HydrophobicContact CD1-CE3 3.89Å; I1004-W1019 HydrophobicContact CG1-CE3 3.77Å; I1004-W1019 HydrophobicContact CG1-CZ3 3.98Å; Y1010-W1019 AromaticContact CD1-CE3 3.71Å; Y1010-W1019 HydrophobicContact CD1-CE3 3.71Å; Y1010-W1019 HydrophobicContact CD1-CH2 4.2Å; Y1010-W1019 AromaticContact CD1-CZ3 3.21Å; Y1010-W1019 HydrophobicContact CD1-CZ3 3.21Å; Y1010-W1019 HydrophobicContact CE1-CE3 4.09Å; Y1010-W1019 HydrophobicContact CE1-CH2 4.13Å; Y1010-W1019 AromaticContact CE1-CZ3 3.51Å; Y1010-W1019 HydrophobicContact CE1-CZ3 3.51Å; Y1010-W1019 HydrophobicContact CG-CZ3 4.16Å; D1015-W1019 PolarHBondContact O-N 3.5Å; A1016-W1019 WeakPolarHBondContact O-CB 3.42Å; A1016-W1019 PolarHBondContact O-N 3.41Å; W1019-T1021 PolarHBondContact O-N 2.97Å; W1019-T1021 VanDerWaalsContact O-N 3.12Å; W1019-S1022 WeakPolarHBondContact O-CB 3.38Å; W1019-S1022 PolarHBondContact O-N 2.94Å; W1019-S1022 VanDerWaalsContact O-N 3.09Å; W1019-H1024 AromaticContact CD2-CE1 3.94Å; W1019-H1024 AromaticContact CE2-CE1 3.94Å; W1019-H1024 AromaticContact CE3-CE1 3.98Å; W1019-H1024 AromaticContact CZ2-CE1 3.97Å; W1019-H1024 PolarHBondContact O-NE2 3.5Å
1020	N	83.3	Confident	75.2	Confident	7 Å²	7	31 Å²	31	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-25	-178.4	-70.3	-11	0	0	0	114.1	I957 S963 D964 L966 A1016 G1017	I957-N1020 WeakPolarHBondContact CD1-O 3.31Å; I957-N1020 HydrophobicContact CG2-CB 4.18Å; S963-N1020 PolarHBondContact OG-ND2 2.96Å; D964-N1020 PolarHBondContact O-ND2 3.44Å; L966-N1020 WeakPolarHBondContact CB-OD1 3.47Å; L966-N1020 HydrophobicContact CD1-CB 4.05Å; L966-N1020 HydrophobicContact CG-CB 4.44Å; L966-N1020 VanDerWaalsContact CG-OD1 3.29Å; L966-N1020 WeakPolarHBondContact CG-OD1 3.25Å; L966-N1020 PolarHBondContact N-OD1 3.3Å; A1016-N1020 VanDerWaalsContact O-CB 3.32Å; A1016-N1020 WeakPolarHBondContact O-CB 3.44Å; A1016-N1020 PolarHBondContact O-N 3.14Å; A1016-N1020 PolarHBondContact O-ND2 2.93Å; A1016-N1020 PolarHBondContact O-OD1 3.49Å; G1017-N1020 PolarHBondContact O-N 3.07Å
1021	T	77.8	Confident	76	Confident	12 Å²	12	33 Å²	33	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-103.1	0.9	179	55.5	0	0	0	0	114.7	L951 I957 G1017 E1018 W1019	L951-T1021 VanDerWaalsContact CD2-O 3.25Å; L951-T1021 WeakPolarHBondContact CD2-O 3.36Å; I957-T1021 HydrophobicContact CG2-CG2 4.13Å; G1017-T1021 WeakPolarHBondContact O-CB 3.3Å; G1017-T1021 PolarHBondContact O-N 3.17Å; G1017-T1021 PolarHBondContact O-OG1 2.7Å; E1018-T1021 PolarHBondContact O-N 2.79Å; W1019-T1021 PolarHBondContact O-N 2.97Å; W1019-T1021 VanDerWaalsContact O-N 3.12Å
1022	S	78.9	Confident	76.4	Confident	4 Å²	4	36 Å²	36	3%	0.028	18%	0.183	C	C	.	.	S	Bend	trans	-75.3	167.4	175.6	-74.4	0	0	0	0	112.9	E1018 W1019 R1046	E1018-S1022 WeakPolarHBondContact O-CB 3.49Å; E1018-S1022 PolarHBondContact O-N 2.97Å; E1018-S1022 PolarHBondContact O-OG 3.38Å; W1019-S1022 WeakPolarHBondContact O-CB 3.38Å; W1019-S1022 PolarHBondContact O-N 2.94Å; W1019-S1022 VanDerWaalsContact O-N 3.09Å; S1022-R1046 VanDerWaalsContact CB-CG 3.44Å; S1022-R1046 WeakPolarHBondContact OG-CD 3.42Å; S1022-R1046 PolarHBondContact OG-NE 3.36Å
1023	C	80	Confident	76.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.9	166.6	178.4	0	0	0	0	110.2	F952 L977 R1046 L1047 L1052	F952-C1023 HydrophobicContact CE1-CB 4.21Å; F952-C1023 HydrophobicContact CZ-CB 3.94Å; L977-C1023 HydrophobicContact CD2-CB 4.19Å; C1023-R1046 CarbonylContact O-C 3.53Å; C1023-R1046 WeakPolarHBondContact O-CA 3.42Å; C1023-L1047 HydrophobicContact CB-CB 4.25Å; C1023-L1047 PolarHBondContact N-O 3.42Å; C1023-L1047 PolarHBondContact O-N 3.46Å; C1023-L1052 HydrophobicContact CB-CD1 4.11Å
1024	H	84.7	Confident	75.4	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.7	-175.1	-60.9	-112.3	0	0	0	109.1	F969 Q973 N998 P1001 Y1010 W1019	F969-H1024 AromaticContact CD1-CD2 3.82Å; F969-H1024 AromaticContact CE1-CD2 3.54Å; F969-H1024 AromaticContact CE1-NE2 3.43Å; F969-H1024 WeakPolarHBondContact CE1-NE2 3.32Å; F969-H1024 AromaticContact CE2-NE2 3.94Å; F969-H1024 AromaticContact CZ-CD2 3.73Å; F969-H1024 AromaticContact CZ-CE1 3.77Å; F969-H1024 AromaticContact CZ-NE2 3.28Å; F969-H1024 VanDerWaalsContact CZ-NE2 3.28Å; F969-H1024 WeakPolarHBondContact CZ-NE2 3.21Å; Q973-H1024 PolarHBondContact OE1-O 3.03Å; N998-H1024 HydrophobicContact CB-CB 4.32Å; N998-H1024 PolarHBondContact N-O 3.24Å; P1001-H1024 HydrophobicContact CB-CB 4.41Å; P1001-H1024 WeakPolarHBondContact CB-ND1 3.22Å; Y1010-H1024 AromaticContact CE1-CE1 3.66Å; Y1010-H1024 AromaticContact CE1-ND1 3.59Å; Y1010-H1024 AromaticContact CZ-ND1 3.98Å; Y1010-H1024 PolarHBondContact OH-ND1 2.87Å; W1019-H1024 AromaticContact CD2-CE1 3.94Å; W1019-H1024 AromaticContact CE2-CE1 3.94Å; W1019-H1024 AromaticContact CE3-CE1 3.98Å; W1019-H1024 AromaticContact CZ2-CE1 3.97Å; W1019-H1024 PolarHBondContact O-NE2 3.5Å
1025	L	84.4	Confident	74.7	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.3	-173.9	-61.8	178.4	0	0	0	111.3	L974 I985 V995 E996 L1027 Y1044 I1045 L1047	L974-L1025 HydrophobicContact CD1-CD2 3.63Å; L974-L1025 HydrophobicContact CG-CD2 4.03Å; I985-L1025 HydrophobicContact CD1-CD1 4.12Å; V995-L1025 HydrophobicContact CG1-CB 4.22Å; V995-L1025 HydrophobicContact CG1-CD1 4.13Å; V995-L1025 HydrophobicContact CG1-CD2 4.31Å; V995-L1025 HydrophobicContact CG1-CG 4.47Å; E996-L1025 WeakPolarHBondContact O-CA 3.2Å; L1025-L1027 HydrophobicContact CB-CD1 4.1Å; L1025-Y1044 WeakPolarHBondContact O-CA 3.45Å; L1025-I1045 PolarHBondContact N-O 3.27Å; L1025-I1045 PolarHBondContact O-N 3.44Å; L1025-L1047 HydrophobicContact CD1-CD1 3.74Å; L1025-L1047 HydrophobicContact CD1-CG 4.02Å
1026	K	84.6	Confident	73.7	Confident	40 Å²	40	43.6 Å²	43.6	17%	0.174	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.4	169.8	-177.7	168.8	-177.4	150.8	0	109.3	V995 E996 N998 E1042 Y1044	V995-K1026 WeakPolarHBondContact CA-O 3.18Å; E996-K1026 PolarHBondContact N-O 3.08Å; E996-K1026 PolarHBondContact O-N 3.29Å; N998-K1026 HydrophobicContact CB-CB 4.2Å; K1026-E1042 VanDerWaalsContact CE-CD 3.48Å; K1026-E1042 WeakPolarHBondContact CE-OE1 3.44Å; K1026-E1042 IonicContact NZ-OE1 2.8Å; K1026-E1042 PolarHBondContact NZ-OE1 2.93Å; K1026-E1042 IonicContact NZ-OE2 3.28Å; K1026-E1042 PolarHBondContact NZ-OE2 2.7Å; K1026-Y1044 HydrophobicContact CB-CD1 4.16Å; K1026-Y1044 HydrophobicContact CB-CE1 3.95Å; K1026-Y1044 HydrophobicContact CD-CE1 3.79Å; K1026-Y1044 WeakPolarHBondContact CE-OH 3.3Å; K1026-Y1044 HydrophobicContact CG-CD1 4.27Å; K1026-Y1044 HydrophobicContact CG-CE1 3.72Å; K1026-Y1044 PolarHBondContact NZ-OH 2.7Å
1027	L	83.8	Confident	72.7	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.084	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.4	-179.3	-79.2	70.5	0	0	0	109.7	I993 V995 L1025 F1043 I1045	I993-L1027 HydrophobicContact CG2-CB 4.08Å; I993-L1027 HydrophobicContact CG2-CD2 4.27Å; I993-L1027 HydrophobicContact CG2-CG 4.17Å; V995-L1027 HydrophobicContact CG1-CD1 4.31Å; V995-L1027 HydrophobicContact CG2-CG 4.3Å; L1025-L1027 HydrophobicContact CB-CD1 4.1Å; L1027-F1043 HydrophobicContact CB-CB 4.21Å; L1027-F1043 HydrophobicContact CD2-CD1 4.39Å; L1027-F1043 PolarHBondContact N-O 3.42Å; L1027-I1045 HydrophobicContact CD1-CB 4.28Å; L1027-I1045 HydrophobicContact CD1-CD1 3.82Å; L1027-I1045 HydrophobicContact CD1-CG1 3.97Å; L1027-I1045 HydrophobicContact CD2-CD1 3.65Å; L1027-I1045 HydrophobicContact CD2-CG1 4.48Å; L1027-I1045 HydrophobicContact CG-CD1 4.42Å
1028	T	79.2	Confident	71.5	Confident	20 Å²	20	53.2 Å²	53.2	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.2	-177.9	-64.8	0	0	0	0	109.5	Q994 L1030	Q994-T1028 WeakPolarHBondContact CB-O 3.49Å; Q994-T1028 PolarHBondContact N-O 2.93Å; Q994-T1028 PolarHBondContact O-N 3.33Å; T1028-L1030 PolarHBondContact O-N 2.86Å
1029	Y	75.4	Confident	70.8	Confident	84 Å²	84	62.3 Å²	62.3	33%	0.329	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.2	169.4	-66.6	-94.1	0	0	0	109.4	I993 K1032 L1040	I993-Y1029 HydrophobicContact CD1-CD1 4.21Å; I993-Y1029 HydrophobicContact CD1-CE1 3.62Å; I993-Y1029 HydrophobicContact CG1-CD1 3.78Å; I993-Y1029 HydrophobicContact CG1-CE1 3.73Å; I993-Y1029 HydrophobicContact CG1-CG 4.47Å; Y1029-K1032 WeakPolarHBondContact O-CE 3.23Å; Y1029-K1032 WeakPolarHBondContact O-CG 3.4Å; Y1029-L1040 HydrophobicContact CD1-CD1 4.22Å; Y1029-L1040 HydrophobicContact CD2-CD1 3.73Å; Y1029-L1040 HydrophobicContact CE2-CD1 4.18Å; Y1029-L1040 HydrophobicContact CE2-CD2 4.36Å; Y1029-L1040 HydrophobicContact CG-CD1 3.75Å
1030	L	73.8	Confident	69.9	Low	96 Å²	96	65.1 Å²	65.1	50%	0.503	35%	0.345	S	S	.	.	S	Bend	trans	-72	-46.9	177.3	-72	168.5	0	0	0	110.7	N992 Q994 T1028 K1032	N992-L1030 HydrophobicContact CB-CB 4.31Å; N992-L1030 PolarHBondContact O-N 2.87Å; Q994-L1030 HydrophobicContact CB-CD2 4.03Å; Q994-L1030 HydrophobicContact CB-CG 4.11Å; T1028-L1030 PolarHBondContact O-N 2.86Å; L1030-K1032 PolarHBondContact O-N 3.14Å; L1030-K1032 VanDerWaalsContact O-N 3.12Å
1031	D	69.7	Low	69	Low	43 Å²	43	69.4 Å²	69.4	23%	0.23	37%	0.374	C	S	.	.			trans	-87.4	76.3	177	-166.6	-21.8	0	0	0	110.1	N992 A1033 C1034 Y1035	N992-D1031 HydrophobicContact CB-CB 4.41Å; D1031-A1033 PolarHBondContact O-N 3.1Å; D1031-A1033 PolarHBondContact OD1-N 3.01Å; D1031-C1034 VanDerWaalsContact OD1-CB 3.24Å; D1031-C1034 WeakPolarHBondContact OD1-CB 3.41Å; D1031-C1034 PolarHBondContact OD1-N 2.99Å; D1031-C1034 PolarHBondContact OD1-SG 3.49Å; D1031-Y1035 HydrophobicContact CB-CE2 4.4Å; D1031-Y1035 WeakPolarHBondContact OD2-CE2 3.48Å; D1031-Y1035 PolarHBondContact OD2-OH 3.33Å
1032	K	59	Low	68.6	Low	156 Å²	156	74.2 Å²	74.2	68%	0.678	40%	0.395	S	S	*	.			trans	-73.3	-3.2	179.7	-58.7	-175.5	-177.4	176.2	0	113.5	Y1029 L1030	Y1029-K1032 WeakPolarHBondContact O-CE 3.23Å; Y1029-K1032 WeakPolarHBondContact O-CG 3.4Å; L1030-K1032 PolarHBondContact O-N 3.14Å; L1030-K1032 VanDerWaalsContact O-N 3.12Å
1033	A	55.2	Low	68.4	Low	84 Å²	84	79.1 Å²	79.1	69%	0.694	42%	0.417	S	S	*	.	S	Bend	trans	-120.7	-35.7	-163.2	0	0	0	0	0	114.9	D1031	D1031-A1033 PolarHBondContact O-N 3.1Å; D1031-A1033 PolarHBondContact OD1-N 3.01Å
1034	C	52.2	Low	68.3	Low	85 Å²	85	81.1 Å²	81.1	57%	0.574	42%	0.424	S	S	*	.	S	Bend	trans	-89.8	-5.1	-160.8	-68.1	0	0	0	0	117.7	D1031	D1031-C1034 VanDerWaalsContact OD1-CB 3.24Å; D1031-C1034 WeakPolarHBondContact OD1-CB 3.41Å; D1031-C1034 PolarHBondContact OD1-N 2.99Å; D1031-C1034 PolarHBondContact OD1-SG 3.49Å
1035	Y	53.7	Low	67.9	Low	120 Å²	120	83.8 Å²	83.8	47%	0.471	44%	0.438	S	S	.	.	S	Bend	trans	-138.9	-2.5	-168.8	-50.3	-65.9	0	0	0	118.9	D1031 V1114 K1118	D1031-Y1035 HydrophobicContact CB-CE2 4.4Å; D1031-Y1035 WeakPolarHBondContact OD2-CE2 3.48Å; D1031-Y1035 PolarHBondContact OD2-OH 3.33Å; Y1035-V1114 HydrophobicContact CE1-CG1 4.44Å; Y1035-K1118 PolarHBondContact OH-NZ 3.42Å
1036	L	54.9	Low	67.7	Low	105 Å²	105	84.7 Å²	84.7	55%	0.55	44%	0.441	S	S	.	.			trans	-138.2	139.8	-177.2	-70.9	174.2	0	0	0	113.1	C1038 L1040	L1036-C1038 PolarHBondContact O-N 3.4Å; L1036-C1038 VanDerWaalsContact O-N 3.14Å; L1036-L1040 HydrophobicContact CD1-CD1 3.87Å; L1036-L1040 HydrophobicContact CD1-CD2 3.67Å; L1036-L1040 HydrophobicContact CD1-CG 3.72Å
1037	P	56.4	Low	67.4	Low	134 Å²	134	83.8 Å²	83.8	87%	0.87	44%	0.438	S	S	*	.	S	Bend	trans	-78.9	12.8	-179.4	35	-38	0	0	0	113.7
1038	C	55.6	Low	66.9	Low	85 Å²	85	84.5 Å²	84.5	57%	0.574	44%	0.443	S	S	*	.	S	Bend	trans	-146.5	149.6	-178.9	58.5	0	0	0	0	111	L1036 L1040	L1036-C1038 PolarHBondContact O-N 3.4Å; L1036-C1038 VanDerWaalsContact O-N 3.14Å; C1038-L1040 PolarHBondContact O-N 2.93Å
1039	K	61.7	Low	66.3	Low	206 Å²	206	84.5 Å²	84.5	90%	0.896	44%	0.444	S	S	*	.			trans	-64.9	115.7	172.1	-175.9	179.6	179.1	-177.2	0	108.7
1040	L	63.6	Low	65.6	Low	63 Å²	63	82 Å²	82	33%	0.33	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-54.8	134.4	171.7	-81.6	158.9	0	0	0	110.2	Y1029 L1036 C1038	Y1029-L1040 HydrophobicContact CD1-CD1 4.22Å; Y1029-L1040 HydrophobicContact CD2-CD1 3.73Å; Y1029-L1040 HydrophobicContact CE2-CD1 4.18Å; Y1029-L1040 HydrophobicContact CE2-CD2 4.36Å; Y1029-L1040 HydrophobicContact CG-CD1 3.75Å; L1036-L1040 HydrophobicContact CD1-CD1 3.87Å; L1036-L1040 HydrophobicContact CD1-CD2 3.67Å; L1036-L1040 HydrophobicContact CD1-CG 3.72Å; C1038-L1040 PolarHBondContact O-N 2.93Å
1041	P	65.5	Low	65.1	Low	98 Å²	98	79.1 Å²	79.1	64%	0.636	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-65.7	154	165.7	30.8	-34.2	0	0	0	109.6
1042	E	68.5	Low	64.6	Low	112 Å²	112	77.3 Å²	77.3	52%	0.523	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-67.8	142	169.7	-58.1	-170.3	132.7	0	0	109.6	K1026 Y1044	K1026-E1042 VanDerWaalsContact CE-CD 3.48Å; K1026-E1042 WeakPolarHBondContact CE-OE1 3.44Å; K1026-E1042 IonicContact NZ-OE1 2.8Å; K1026-E1042 PolarHBondContact NZ-OE1 2.93Å; K1026-E1042 IonicContact NZ-OE2 3.28Å; K1026-E1042 PolarHBondContact NZ-OE2 2.7Å; E1042-Y1044 HydrophobicContact CB-CE2 3.7Å; E1042-Y1044 PolarHBondContact OE2-OH 2.65Å
1043	F	74.1	Confident	64.4	Low	108 Å²	108	73.9 Å²	73.9	47%	0.474	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.1	-171.7	-156.1	-87.8	0	0	0	110.2	L1027 I1045	L1027-F1043 HydrophobicContact CB-CB 4.21Å; L1027-F1043 HydrophobicContact CD2-CD1 4.39Å; L1027-F1043 PolarHBondContact N-O 3.42Å; F1043-I1045 HydrophobicContact CD1-CD1 4.3Å; F1043-I1045 HydrophobicContact CD1-CG1 4.07Å; F1043-I1045 HydrophobicContact CE1-CD1 4.15Å; F1043-I1045 HydrophobicContact CE1-CG1 3.98Å
1044	Y	78.7	Confident	64.6	Low	42 Å²	42	73 Å²	73	17%	0.165	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.5	-170.2	-65.1	-82	0	0	0	110.5	N998 P1002 L1025 K1026 E1042	N998-Y1044 WeakPolarHBondContact ND2-CD1 3.4Å; N998-Y1044 VanDerWaalsContact ND2-CE1 3.32Å; N998-Y1044 WeakPolarHBondContact ND2-CE1 3.01Å; P1002-Y1044 HydrophobicContact CG-CD2 4.42Å; L1025-Y1044 WeakPolarHBondContact O-CA 3.45Å; K1026-Y1044 HydrophobicContact CB-CD1 4.16Å; K1026-Y1044 HydrophobicContact CB-CE1 3.95Å; K1026-Y1044 HydrophobicContact CD-CE1 3.79Å; K1026-Y1044 WeakPolarHBondContact CE-OH 3.3Å; K1026-Y1044 HydrophobicContact CG-CD1 4.27Å; K1026-Y1044 HydrophobicContact CG-CE1 3.72Å; K1026-Y1044 PolarHBondContact NZ-OH 2.7Å; E1042-Y1044 HydrophobicContact CB-CE2 3.7Å; E1042-Y1044 PolarHBondContact OE2-OH 2.65Å
1045	I	77	Confident	64.7	Low	56 Å²	56	71.1 Å²	71.1	29%	0.287	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.7	-174.9	-65.3	-176.3	0	0	0	110.3	L1025 L1027 F1043 L1047	L1025-I1045 PolarHBondContact N-O 3.27Å; L1025-I1045 PolarHBondContact O-N 3.44Å; L1027-I1045 HydrophobicContact CD1-CB 4.28Å; L1027-I1045 HydrophobicContact CD1-CD1 3.82Å; L1027-I1045 HydrophobicContact CD1-CG1 3.97Å; L1027-I1045 HydrophobicContact CD2-CD1 3.65Å; L1027-I1045 HydrophobicContact CD2-CG1 4.48Å; L1027-I1045 HydrophobicContact CG-CD1 4.42Å; F1043-I1045 HydrophobicContact CD1-CD1 4.3Å; F1043-I1045 HydrophobicContact CD1-CG1 4.07Å; F1043-I1045 HydrophobicContact CE1-CD1 4.15Å; F1043-I1045 HydrophobicContact CE1-CG1 3.98Å; I1045-L1047 HydrophobicContact CG2-CD2 3.99Å
1046	R	80.4	Confident	64.6	Low	25 Å²	25	71.6 Å²	71.6	9%	0.094	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.4	161.7	-154.4	170.5	80.3	-101.7	5.8	109.4	Y1010 T1012 E1018 S1022 C1023	Y1010-R1046 HydrophobicContact CD1-CB 4.06Å; Y1010-R1046 HydrophobicContact CD1-CG 4.25Å; Y1010-R1046 HydrophobicContact CE1-CB 3.53Å; Y1010-R1046 HydrophobicContact CE1-CG 3.74Å; Y1010-R1046 HydrophobicContact CE2-CB 4.07Å; Y1010-R1046 PolarHBondContact OH-N 3.03Å; T1012-R1046 PolarHBondContact OG1-NH1 2.97Å; T1012-R1046 PolarHBondContact OG1-NH2 2.85Å; T1012-R1046 VanDerWaalsContact OG1-NH2 3.1Å; E1018-R1046 IonicContact OE1-CZ 3.71Å; E1018-R1046 IonicContact OE1-NE 2.73Å; E1018-R1046 PolarHBondContact OE1-NE 3.29Å; E1018-R1046 IonicContact OE1-NH2 2.71Å; E1018-R1046 PolarHBondContact OE1-NH2 2.9Å; S1022-R1046 VanDerWaalsContact CB-CG 3.44Å; S1022-R1046 WeakPolarHBondContact OG-CD 3.42Å; S1022-R1046 PolarHBondContact OG-NE 3.36Å; C1023-R1046 CarbonylContact O-C 3.53Å; C1023-R1046 WeakPolarHBondContact O-CA 3.42Å
1047	L	77.1	Confident	64.4	Low	22 Å²	22	71.3 Å²	71.3	12%	0.115	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.2	158.7	-55.6	-175.6	0	0	0	107.3	I981 C1023 L1025 I1045 Y1051 L1052	I981-L1047 HydrophobicContact CG2-CD1 4.18Å; C1023-L1047 HydrophobicContact CB-CB 4.25Å; C1023-L1047 PolarHBondContact N-O 3.42Å; C1023-L1047 PolarHBondContact O-N 3.46Å; L1025-L1047 HydrophobicContact CD1-CD1 3.74Å; L1025-L1047 HydrophobicContact CD1-CG 4.02Å; I1045-L1047 HydrophobicContact CG2-CD2 3.99Å; L1047-Y1051 HydrophobicContact CB-CD1 4.25Å; L1047-Y1051 HydrophobicContact CD2-CD1 3.93Å; L1047-Y1051 HydrophobicContact CD2-CE1 4.01Å; L1047-Y1051 HydrophobicContact CG-CD1 4.46Å; L1047-L1052 HydrophobicContact CB-CD1 4.23Å; L1047-L1052 HydrophobicContact CB-CD2 3.72Å; L1047-L1052 HydrophobicContact CB-CG 3.94Å; L1047-L1052 HydrophobicContact CD1-CD2 3.8Å; L1047-L1052 HydrophobicContact CG-CD2 4.42Å
1048	T	72.8	Confident	63.8	Low	31 Å²	31	67.6 Å²	67.6	19%	0.19	35%	0.354	C	S	.	.			trans	-72.1	155.4	-178.9	65.3	0	0	0	0	111.3	E1018 D1050 Y1051 L1052	E1018-T1048 WeakPolarHBondContact OE1-CG2 3.29Å; T1048-D1050 PolarHBondContact O-N 3.09Å; T1048-Y1051 PolarHBondContact O-N 3.12Å; T1048-Y1051 VanDerWaalsContact O-N 3.09Å; T1048-Y1051 PolarHBondContact OG1-N 3.38Å; T1048-L1052 VanDerWaalsContact O-CG 3.3Å; T1048-L1052 WeakPolarHBondContact O-CG 3.49Å; T1048-L1052 PolarHBondContact O-N 3.42Å; T1048-L1052 VanDerWaalsContact O-N 3.08Å
1049	P	66.4	Low	63.3	Low	20 Å²	20	70.5 Å²	70.5	13%	0.13	35%	0.353	C	S	.	.	H	α-helix	trans	-48.1	-42.2	173.4	-31.6	37.9	0	0	0	113.8	L951 E1018 L1052 Q1053	L951-P1049 HydrophobicContact CD1-CB 4.23Å; L951-P1049 HydrophobicContact CD2-CB 3.89Å; L951-P1049 HydrophobicContact CD2-CG 4.15Å; L951-P1049 HydrophobicContact CG-CB 4.29Å; E1018-P1049 HydrophobicContact CG-CG 3.96Å; P1049-L1052 PolarHBondContact O-N 2.95Å; P1049-Q1053 WeakPolarHBondContact O-CB 3.45Å; P1049-Q1053 PolarHBondContact O-N 2.72Å
1050	D	62.2	Low	62.2	Low	31 Å²	31	66.6 Å²	66.6	17%	0.166	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-39	179.8	-66.2	-39.8	0	0	0	113.3	T1048 L1052 Q1053 T1054 Y1061	T1048-D1050 PolarHBondContact O-N 3.09Å; D1050-L1052 VanDerWaalsContact C-N 3.32Å; D1050-Q1053 PolarHBondContact O-N 2.97Å; D1050-T1054 WeakPolarHBondContact O-CB 3.42Å; D1050-T1054 WeakPolarHBondContact O-CG2 3.11Å; D1050-T1054 PolarHBondContact O-N 3.38Å; D1050-T1054 PolarHBondContact O-OG1 2.81Å; D1050-Y1061 WeakPolarHBondContact OD2-CB 3.48Å
1051	Y	62.1	Low	61.1	Low	35 Å²	35	68.8 Å²	68.8	14%	0.137	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-43.9	174.1	179.3	-102.8	0	0	0	110.8	E984 L1047 T1048 Q1053 T1054 G1055 L1057	E984-Y1051 PolarHBondContact OE2-OH 3.37Å; L1047-Y1051 HydrophobicContact CB-CD1 4.25Å; L1047-Y1051 HydrophobicContact CD2-CD1 3.93Å; L1047-Y1051 HydrophobicContact CD2-CE1 4.01Å; L1047-Y1051 HydrophobicContact CG-CD1 4.46Å; T1048-Y1051 PolarHBondContact O-N 3.12Å; T1048-Y1051 VanDerWaalsContact O-N 3.09Å; T1048-Y1051 PolarHBondContact OG1-N 3.38Å; Y1051-Q1053 VanDerWaalsContact C-N 3.34Å; Y1051-Q1053 PolarHBondContact O-N 2.83Å; Y1051-T1054 PolarHBondContact O-N 3.39Å; Y1051-G1055 VanDerWaalsContact O-CA 3.32Å; Y1051-G1055 WeakPolarHBondContact O-CA 3.46Å; Y1051-G1055 PolarHBondContact O-N 3.49Å; Y1051-L1057 HydrophobicContact CD2-CB 4.44Å; Y1051-L1057 HydrophobicContact CD2-CD1 4.35Å; Y1051-L1057 HydrophobicContact CD2-CD2 4.48Å; Y1051-L1057 HydrophobicContact CD2-CG 3.7Å; Y1051-L1057 HydrophobicContact CE2-CD1 4.07Å; Y1051-L1057 HydrophobicContact CE2-CG 3.92Å
1052	L	58.8	Low	59.8	Low	5 Å²	5	69.3 Å²	69.3	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-30.6	-179	-64.7	173.5	0	0	0	112.6	L951 L977 I981 C1023 L1047 T1048 P1049 D1050	L951-L1052 HydrophobicContact CB-CB 4Å; L951-L1052 HydrophobicContact CB-CD1 4.08Å; L951-L1052 HydrophobicContact CD2-CD1 4.11Å; L951-L1052 HydrophobicContact CG-CB 3.81Å; L951-L1052 HydrophobicContact CG-CD1 3.96Å; L977-L1052 HydrophobicContact CD2-CD2 3.56Å; I981-L1052 HydrophobicContact CD1-CB 4.48Å; I981-L1052 HydrophobicContact CD1-CD2 3.59Å; C1023-L1052 HydrophobicContact CB-CD1 4.11Å; L1047-L1052 HydrophobicContact CB-CD1 4.23Å; L1047-L1052 HydrophobicContact CB-CD2 3.72Å; L1047-L1052 HydrophobicContact CB-CG 3.94Å; L1047-L1052 HydrophobicContact CD1-CD2 3.8Å; L1047-L1052 HydrophobicContact CG-CD2 4.42Å; T1048-L1052 VanDerWaalsContact O-CG 3.3Å; T1048-L1052 WeakPolarHBondContact O-CG 3.49Å; T1048-L1052 PolarHBondContact O-N 3.42Å; T1048-L1052 VanDerWaalsContact O-N 3.08Å; P1049-L1052 PolarHBondContact O-N 2.95Å; D1050-L1052 VanDerWaalsContact C-N 3.32Å
1053	Q	56	Low	58.6	Low	85 Å²	85	66 Å²	66	40%	0.397	32%	0.323	S	S	.	.	H	α-helix	trans	-81.1	-39.4	174.3	178.1	166	21	0	0	113.4	E949 P1049 D1050 Y1051	E949-Q1053 HydrophobicContact CB-CG 4.28Å; E949-Q1053 VanDerWaalsContact O-CG 3.32Å; E949-Q1053 WeakPolarHBondContact O-CG 3.16Å; P1049-Q1053 WeakPolarHBondContact O-CB 3.45Å; P1049-Q1053 PolarHBondContact O-N 2.72Å; D1050-Q1053 PolarHBondContact O-N 2.97Å; Y1051-Q1053 VanDerWaalsContact C-N 3.34Å; Y1051-Q1053 PolarHBondContact O-N 2.83Å
1054	T	59	Low	57	Low	64 Å²	64	68.3 Å²	68.3	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-100.5	-21.4	-170.5	64.2	0	0	0	0	114.8	D1050 Y1051 Q1056	D1050-T1054 WeakPolarHBondContact O-CB 3.42Å; D1050-T1054 WeakPolarHBondContact O-CG2 3.11Å; D1050-T1054 PolarHBondContact O-N 3.38Å; D1050-T1054 PolarHBondContact O-OG1 2.81Å; Y1051-T1054 PolarHBondContact O-N 3.39Å; T1054-Q1056 PolarHBondContact O-N 2.84Å; T1054-Q1056 PolarHBondContact OG1-N 2.74Å; T1054-Q1056 VanDerWaalsContact OG1-N 3.1Å; T1054-Q1056 PolarHBondContact OG1-O 3.2Å; T1054-Q1056 VanDerWaalsContact OG1-O 3.13Å
1055	G	54.9	Low	55.2	Low	47 Å²	47	73.3 Å²	73.3	49%	0.485	36%	0.362	S	S	.	.	S	Bend	trans	67.7	13.9	-166.1	0	0	0	0	0	113.8	Y1051	Y1051-G1055 VanDerWaalsContact O-CA 3.32Å; Y1051-G1055 WeakPolarHBondContact O-CA 3.46Å; Y1051-G1055 PolarHBondContact O-N 3.49Å
1056	Q	51.3	Low	53.8	Low	129 Å²	129	77.7 Å²	77.7	60%	0.603	38%	0.379	S	S	*	.	S	Bend	trans	-128.7	138.4	-177.9	-63.7	-172.7	-4.2	0	0	110.7	T1054 N1058	T1054-Q1056 PolarHBondContact O-N 2.84Å; T1054-Q1056 PolarHBondContact OG1-N 2.74Å; T1054-Q1056 VanDerWaalsContact OG1-N 3.1Å; T1054-Q1056 PolarHBondContact OG1-O 3.2Å; T1054-Q1056 VanDerWaalsContact OG1-O 3.13Å; Q1056-N1058 PolarHBondContact O-N 2.95Å
1057	L	51.2	Low	52	Low	100 Å²	100	80 Å²	80	52%	0.524	39%	0.39	S	S	.	.			trans	-76.2	74.5	177.6	-89.9	141.8	0	0	0	110.4	Y1051 W1059	Y1051-L1057 HydrophobicContact CD2-CB 4.44Å; Y1051-L1057 HydrophobicContact CD2-CD1 4.35Å; Y1051-L1057 HydrophobicContact CD2-CD2 4.48Å; Y1051-L1057 HydrophobicContact CD2-CG 3.7Å; Y1051-L1057 HydrophobicContact CE2-CD1 4.07Å; Y1051-L1057 HydrophobicContact CE2-CG 3.92Å; L1057-W1059 VanDerWaalsContact C-N 3.27Å; L1057-W1059 HydrophobicContact CD2-CZ2 3.83Å; L1057-W1059 PolarHBondContact O-N 3.05Å
1058	N	43.8	Very low	50.4	Low	55 Å²	55	84.2 Å²	84.2	29%	0.294	41%	0.412	S	S	.	.			trans	-71.9	80.8	170.3	-77.1	-38	0	0	0	110.2	Q1056 Y1060	Q1056-N1058 PolarHBondContact O-N 2.95Å; N1058-Y1060 PolarHBondContact O-N 3.35Å
1059	W	44.6	Very low	49.3	Very low	146 Å²	146	85.6 Å²	85.6	55%	0.553	42%	0.423	S	S	*	.	S	Bend	trans	-62.8	1.6	172.8	-64.5	90.4	0	0	0	114.4	T1012 L1057 Y1093	T1012-W1059 HydrophobicContact CG2-CE3 4.05Å; T1012-W1059 HydrophobicContact CG2-CZ3 3.92Å; L1057-W1059 VanDerWaalsContact C-N 3.27Å; L1057-W1059 HydrophobicContact CD2-CZ2 3.83Å; L1057-W1059 PolarHBondContact O-N 3.05Å; W1059-Y1093 HydrophobicContact CB-CE1 4.26Å; W1059-Y1093 PolarHBondContact N-OH 3.47Å
1060	Y	39	Very low	48.4	Very low	124 Å²	124	89.9 Å²	89.9	49%	0.486	44%	0.444	S	S	.	.			trans	-144.8	95.6	172.1	-82.5	-89.9	0	0	0	109.9	N1058 L1089 Y1093	N1058-Y1060 PolarHBondContact O-N 3.35Å; Y1060-L1089 HydrophobicContact CD2-CD2 3.62Å; Y1060-L1089 HydrophobicContact CE2-CD2 3.95Å; Y1060-L1089 HydrophobicContact CG-CD2 4.06Å; Y1060-Y1093 PolarHBondContact N-OH 2.76Å
1061	Y	39	Very low	47.8	Very low	109 Å²	109	91.3 Å²	91.3	43%	0.427	45%	0.452	S	S	.	.			trans	-107.7	86.8	158.9	-166.9	-111.4	0	0	0	110.4	D1050 P1063	D1050-Y1061 WeakPolarHBondContact OD2-CB 3.48Å; Y1061-P1063 HydrophobicContact CE1-CB 4.35Å; Y1061-P1063 HydrophobicContact CE1-CG 4.49Å; Y1061-P1063 WeakPolarHBondContact O-CD 3.13Å
1062	L	38.8	Very low	47.4	Very low	109 Å²	109	96.7 Å²	96.7	57%	0.571	48%	0.483	S	S	*	.			trans	-78.4	119.1	162.6	-154.9	80	0	0	0	107.2	K1064 F1067	L1062-K1064 PolarHBondContact O-N 3.47Å; L1062-K1064 VanDerWaalsContact O-N 3.14Å; L1062-F1067 HydrophobicContact CD2-CB 4.49Å; L1062-F1067 HydrophobicContact CD2-CD2 3.25Å; L1062-F1067 HydrophobicContact CD2-CE2 3.56Å; L1062-F1067 HydrophobicContact CD2-CG 4.04Å; L1062-F1067 HydrophobicContact CG-CD2 4.5Å
1063	P	44.3	Very low	47.1	Very low	42 Å²	42	103.2 Å²	103.2	27%	0.273	52%	0.518	S	S	.	.			trans	-58.2	123.1	-168.5	-27.9	35.1	0	0	0	111.9	Y1061 L1065 K1066 F1067	Y1061-P1063 HydrophobicContact CE1-CB 4.35Å; Y1061-P1063 HydrophobicContact CE1-CG 4.49Å; Y1061-P1063 WeakPolarHBondContact O-CD 3.13Å; P1063-L1065 PolarHBondContact O-N 3.06Å; P1063-K1066 HydrophobicContact CB-CB 4.37Å; P1063-K1066 PolarHBondContact O-N 3.19Å; P1063-F1067 PolarHBondContact O-N 3.15Å
1064	K	39.8	Very low	46.5	Very low	157 Å²	157	101.8 Å²	101.8	68%	0.683	52%	0.517	S	S	*	.	H	α-helix	trans	-50.8	-33.3	-179.8	-85.1	-178.1	174.2	174.2	0	112.3	L1062 F1067 L1068	L1062-K1064 PolarHBondContact O-N 3.47Å; L1062-K1064 VanDerWaalsContact O-N 3.14Å; K1064-F1067 PolarHBondContact O-N 3.34Å; K1064-L1068 VanDerWaalsContact O-CB 3.23Å; K1064-L1068 WeakPolarHBondContact O-CB 3.35Å; K1064-L1068 WeakPolarHBondContact O-CD1 3.2Å; K1064-L1068 WeakPolarHBondContact O-CG 3.47Å; K1064-L1068 PolarHBondContact O-N 2.86Å
1065	L	41.5	Very low	46	Very low	148 Å²	148	105.4 Å²	105.4	78%	0.775	53%	0.532	S	S	*	.	H	α-helix	trans	-66.7	-42.7	175.1	-70.5	163.1	0	0	0	113.7	P1063 S1069	P1063-L1065 PolarHBondContact O-N 3.06Å; L1065-S1069 PolarHBondContact O-N 3.15Å; L1065-S1069 VanDerWaalsContact O-N 3.07Å; L1065-S1069 PolarHBondContact O-OG 3.34Å
1066	K	46.5	Very low	46	Very low	148 Å²	148	112.1 Å²	112.1	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-70.2	-34.1	174.2	-79.5	-175.9	176.9	174.3	0	111.5	P1063 S1069 L1070	P1063-K1066 HydrophobicContact CB-CB 4.37Å; P1063-K1066 PolarHBondContact O-N 3.19Å; K1066-S1069 PolarHBondContact O-OG 3.15Å; K1066-L1070 WeakPolarHBondContact O-CD1 3.48Å; K1066-L1070 PolarHBondContact O-N 3.02Å
1067	F	42.5	Very low	46.1	Very low	74 Å²	74	112.2 Å²	112.2	33%	0.325	55%	0.553	S	S	.	*	H	α-helix	trans	-76.7	-35	177.3	-140.9	-118.4	0	0	0	113	L1062 P1063 K1064 S1069 L1070 L1071 L1082	L1062-F1067 HydrophobicContact CD2-CB 4.49Å; L1062-F1067 HydrophobicContact CD2-CD2 3.25Å; L1062-F1067 HydrophobicContact CD2-CE2 3.56Å; L1062-F1067 HydrophobicContact CD2-CG 4.04Å; L1062-F1067 HydrophobicContact CG-CD2 4.5Å; P1063-F1067 PolarHBondContact O-N 3.15Å; K1064-F1067 PolarHBondContact O-N 3.34Å; F1067-S1069 VanDerWaalsContact C-N 3.33Å; F1067-S1069 PolarHBondContact O-N 2.91Å; F1067-L1070 PolarHBondContact O-N 3.37Å; F1067-L1071 HydrophobicContact CD1-CD1 4.12Å; F1067-L1071 WeakPolarHBondContact O-CB 3.44Å; F1067-L1071 VanDerWaalsContact O-CG 3.31Å; F1067-L1071 WeakPolarHBondContact O-CG 3.38Å; F1067-L1071 PolarHBondContact O-N 3.2Å; F1067-L1082 HydrophobicContact CD1-CD1 4.45Å; F1067-L1082 HydrophobicContact CD1-CD2 4.43Å; F1067-L1082 HydrophobicContact CE1-CD1 3.9Å; F1067-L1082 HydrophobicContact CE1-CD2 4.22Å
1068	L	44.6	Very low	46.2	Very low	109 Å²	109	111.1 Å²	111.1	57%	0.571	55%	0.548	S	S	*	.	H	α-helix	trans	-64.3	-35.2	170.2	-75	167.7	0	0	0	112	K1064 L1071 N1072	K1064-L1068 VanDerWaalsContact O-CB 3.23Å; K1064-L1068 WeakPolarHBondContact O-CB 3.35Å; K1064-L1068 WeakPolarHBondContact O-CD1 3.2Å; K1064-L1068 WeakPolarHBondContact O-CG 3.47Å; K1064-L1068 PolarHBondContact O-N 2.86Å; L1068-L1071 HydrophobicContact CD2-CD1 4.36Å; L1068-L1071 PolarHBondContact O-N 3.27Å; L1068-N1072 WeakPolarHBondContact O-CB 3.28Å; L1068-N1072 PolarHBondContact O-N 2.96Å
1069	S	49.3	Very low	46.7	Very low	61 Å²	61	112.9 Å²	112.9	43%	0.427	56%	0.56	S	S	.	*	H	α-helix	trans	-72.6	-28.8	174.8	68.7	0	0	0	0	113.5	L1065 K1066 F1067 N1073	L1065-S1069 PolarHBondContact O-N 3.15Å; L1065-S1069 VanDerWaalsContact O-N 3.07Å; L1065-S1069 PolarHBondContact O-OG 3.34Å; K1066-S1069 PolarHBondContact O-OG 3.15Å; F1067-S1069 VanDerWaalsContact C-N 3.33Å; F1067-S1069 PolarHBondContact O-N 2.91Å; S1069-N1073 PolarHBondContact O-ND2 3.5Å
1070	L	48.2	Very low	47.1	Very low	109 Å²	109	111.4 Å²	111.4	57%	0.571	56%	0.563	S	S	*	*	H	α-helix	trans	-69.1	-45.2	165.5	-90.8	86.1	0	0	0	111.8	K1066 F1067 N1072 N1073 S1074	K1066-L1070 WeakPolarHBondContact O-CD1 3.48Å; K1066-L1070 PolarHBondContact O-N 3.02Å; F1067-L1070 PolarHBondContact O-N 3.37Å; L1070-N1072 VanDerWaalsContact C-N 3.28Å; L1070-N1072 PolarHBondContact O-N 3.39Å; L1070-N1073 PolarHBondContact O-N 3.3Å; L1070-N1073 VanDerWaalsContact O-N 3.11Å; L1070-S1074 WeakPolarHBondContact O-CB 3.37Å; L1070-S1074 PolarHBondContact O-N 3.36Å
1071	L	49.1	Very low	47.9	Very low	62 Å²	62	111.8 Å²	111.8	33%	0.325	57%	0.569	S	S	.	*	H	α-helix	trans	-62.1	-32	179.5	-76.4	163.1	0	0	0	113.1	F1067 L1068 N1073 L1082	F1067-L1071 HydrophobicContact CD1-CD1 4.12Å; F1067-L1071 WeakPolarHBondContact O-CB 3.44Å; F1067-L1071 VanDerWaalsContact O-CG 3.31Å; F1067-L1071 WeakPolarHBondContact O-CG 3.38Å; F1067-L1071 PolarHBondContact O-N 3.2Å; L1068-L1071 HydrophobicContact CD2-CD1 4.36Å; L1068-L1071 PolarHBondContact O-N 3.27Å; L1071-N1073 VanDerWaalsContact C-N 3.27Å; L1071-N1073 PolarHBondContact O-N 3.07Å; L1071-L1082 HydrophobicContact CD1-CD2 4.03Å; L1071-L1082 HydrophobicContact CD2-CD2 4.45Å
1072	N	52.2	Low	48.6	Very low	148 Å²	148	109.3 Å²	109.3	79%	0.791	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-14.4	177.9	-141	30.5	0	0	0	113.3	L1068 L1070	L1068-N1072 WeakPolarHBondContact O-CB 3.28Å; L1068-N1072 PolarHBondContact O-N 2.96Å; L1070-N1072 VanDerWaalsContact C-N 3.28Å; L1070-N1072 PolarHBondContact O-N 3.39Å
1073	N	52.9	Low	49.7	Very low	141 Å²	141	108.5 Å²	108.5	75%	0.754	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-11.6	-178.9	-71.2	-62.9	0	0	0	113.6	S1069 L1070 L1071	S1069-N1073 PolarHBondContact O-ND2 3.5Å; L1070-N1073 PolarHBondContact O-N 3.3Å; L1070-N1073 VanDerWaalsContact O-N 3.11Å; L1071-N1073 VanDerWaalsContact C-N 3.27Å; L1071-N1073 PolarHBondContact O-N 3.07Å
1074	S	44.3	Very low	50.8	Low	55 Å²	55	111.4 Å²	111.4	39%	0.385	57%	0.569	S	S	.	*	S	Bend	trans	-100.7	128.4	179.1	-162.1	0	0	0	0	111	L1070 N1078	L1070-S1074 WeakPolarHBondContact O-CB 3.37Å; L1070-S1074 PolarHBondContact O-N 3.36Å; S1074-N1078 PolarHBondContact OG-ND2 2.87Å
1075	I	48.8	Very low	51.7	Low	140 Å²	140	105.8 Å²	105.8	72%	0.718	55%	0.55	S	S	*	*			trans	-60.9	152.7	-176.6	-64.8	165.1	0	0	0	110.8	D1077	I1075-D1077 PolarHBondContact O-N 2.85Å
1076	K	54.6	Low	52.7	Low	188 Å²	188	104.2 Å²	104.2	82%	0.817	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-47.1	-11.5	-162.1	-67.9	175.2	176.5	173.9	0	118.8	N1078	K1076-N1078 PolarHBondContact O-N 2.89Å
1077	D	53.2	Low	53.7	Low	131 Å²	131	104.6 Å²	104.6	70%	0.701	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-77.7	-18.7	-170.9	-51.8	-59.1	0	0	0	113.6	I1075 V1079	I1075-D1077 PolarHBondContact O-N 2.85Å; D1077-V1079 PolarHBondContact O-N 3.42Å
1078	N	53.2	Low	54.7	Low	78 Å²	78	106.6 Å²	106.6	42%	0.417	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-76	-10.8	-175.7	-98.1	-42.3	0	0	0	115.9	S1074 K1076 N1080 H1081 L1082	S1074-N1078 PolarHBondContact OG-ND2 2.87Å; K1076-N1078 PolarHBondContact O-N 2.89Å; N1078-N1080 VanDerWaalsContact C-N 3.31Å; N1078-N1080 PolarHBondContact O-N 3.5Å; N1078-H1081 WeakPolarHBondContact O-CB 3.43Å; N1078-H1081 PolarHBondContact O-N 3.4Å; N1078-L1082 PolarHBondContact O-N 3.32Å
1079	V	54.3	Low	55.7	Low	92 Å²	92	103.6 Å²	103.6	56%	0.558	53%	0.527	S	S	*	.	H	α-helix	trans	-60.9	-40.6	-177.1	-177.4	0	0	0	0	111.7	D1077 H1081 L1082 E1083	D1077-V1079 PolarHBondContact O-N 3.42Å; V1079-H1081 VanDerWaalsContact C-N 3.26Å; V1079-H1081 PolarHBondContact O-N 3.02Å; V1079-L1082 PolarHBondContact O-N 2.99Å; V1079-E1083 PolarHBondContact O-N 2.63Å; V1079-E1083 VanDerWaalsContact O-N 3.15Å
1080	N	53.1	Low	56.6	Low	114 Å²	114	104.9 Å²	104.9	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-64.5	-29.8	177.1	-66.6	-31.6	0	0	0	112.6	N1078 N1084	N1078-N1080 VanDerWaalsContact C-N 3.31Å; N1078-N1080 PolarHBondContact O-N 3.5Å; N1080-N1084 WeakPolarHBondContact O-CB 3.32Å; N1080-N1084 PolarHBondContact O-N 2.82Å; N1080-N1084 PolarHBondContact O-ND2 3.48Å
1081	H	56.1	Low	57.7	Low	132 Å²	132	105.4 Å²	105.4	61%	0.611	53%	0.531	S	S	*	.	H	α-helix	trans	-74.2	-35.7	176.5	-167	-66.3	0	0	0	111.2	N1078 V1079 S1085	N1078-H1081 WeakPolarHBondContact O-CB 3.43Å; N1078-H1081 PolarHBondContact O-N 3.4Å; V1079-H1081 VanDerWaalsContact C-N 3.26Å; V1079-H1081 PolarHBondContact O-N 3.02Å; H1081-S1085 WeakPolarHBondContact O-CB 3.36Å; H1081-S1085 PolarHBondContact O-N 3.04Å; H1081-S1085 PolarHBondContact O-OG 2.96Å
1082	L	52.8	Low	58.3	Low	58 Å²	58	108.3 Å²	108.3	30%	0.304	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-52	175.9	176.8	49.1	0	0	0	111.4	F1067 L1071 N1078 V1079 N1084 S1085 E1086	F1067-L1082 HydrophobicContact CD1-CD1 4.45Å; F1067-L1082 HydrophobicContact CD1-CD2 4.43Å; F1067-L1082 HydrophobicContact CE1-CD1 3.9Å; F1067-L1082 HydrophobicContact CE1-CD2 4.22Å; L1071-L1082 HydrophobicContact CD1-CD2 4.03Å; L1071-L1082 HydrophobicContact CD2-CD2 4.45Å; N1078-L1082 PolarHBondContact O-N 3.32Å; V1079-L1082 PolarHBondContact O-N 2.99Å; L1082-N1084 VanDerWaalsContact C-N 3.29Å; L1082-N1084 PolarHBondContact O-N 3.17Å; L1082-S1085 WeakPolarHBondContact CA-OG 3.46Å; L1082-S1085 WeakPolarHBondContact O-CA 3.27Å; L1082-S1085 PolarHBondContact O-N 3.1Å; L1082-S1085 PolarHBondContact O-OG 3.01Å; L1082-E1086 PolarHBondContact O-N 3.29Å
1083	E	62.3	Low	58.8	Low	92 Å²	92	103.4 Å²	103.4	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-38.5	-179.8	-158.6	-165.9	150.8	0	0	112	V1079 S1085 E1086 R1087	V1079-E1083 PolarHBondContact O-N 2.63Å; V1079-E1083 VanDerWaalsContact O-N 3.15Å; E1083-S1085 VanDerWaalsContact C-N 3.35Å; E1083-S1085 PolarHBondContact O-N 2.74Å; E1083-E1086 PolarHBondContact O-N 3.43Å; E1083-R1087 WeakPolarHBondContact O-CB 3.26Å; E1083-R1087 VanDerWaalsContact O-CG 3.23Å; E1083-R1087 WeakPolarHBondContact O-CG 3.23Å; E1083-R1087 PolarHBondContact O-N 3.25Å; E1083-R1087 IonicContact OE1-CZ 2.67Å; E1083-R1087 IonicContact OE1-NE 3.18Å; E1083-R1087 PolarHBondContact OE1-NE 3.41Å; E1083-R1087 IonicContact OE1-NH2 2.65Å; E1083-R1087 PolarHBondContact OE1-NH2 3.34Å
1084	N	67.5	Low	59.4	Low	102 Å²	102	101 Å²	101	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-65.2	-35.2	172.9	-77.6	-41.8	0	0	0	112.9	N1080 L1082 Y1088	N1080-N1084 WeakPolarHBondContact O-CB 3.32Å; N1080-N1084 PolarHBondContact O-N 2.82Å; N1080-N1084 PolarHBondContact O-ND2 3.48Å; L1082-N1084 VanDerWaalsContact C-N 3.29Å; L1082-N1084 PolarHBondContact O-N 3.17Å; N1084-Y1088 VanDerWaalsContact O-CB 3.3Å; N1084-Y1088 WeakPolarHBondContact O-CB 3.23Å; N1084-Y1088 PolarHBondContact O-N 3.44Å
1085	S	58.9	Low	60.6	Low	40 Å²	40	101.9 Å²	101.9	28%	0.28	50%	0.495	S	S	.	.	H	α-helix	trans	-71.1	-36.7	176.2	72.2	0	0	0	0	113	H1081 L1082 E1083 Y1088 L1089	H1081-S1085 WeakPolarHBondContact O-CB 3.36Å; H1081-S1085 PolarHBondContact O-N 3.04Å; H1081-S1085 PolarHBondContact O-OG 2.96Å; L1082-S1085 WeakPolarHBondContact CA-OG 3.46Å; L1082-S1085 WeakPolarHBondContact O-CA 3.27Å; L1082-S1085 PolarHBondContact O-N 3.1Å; L1082-S1085 PolarHBondContact O-OG 3.01Å; E1083-S1085 VanDerWaalsContact C-N 3.35Å; E1083-S1085 PolarHBondContact O-N 2.74Å; S1085-Y1088 PolarHBondContact O-N 3.34Å; S1085-L1089 WeakPolarHBondContact O-CG 3.41Å; S1085-L1089 PolarHBondContact O-N 2.87Å
1086	E	61.9	Low	61.3	Low	114 Å²	114	98.3 Å²	98.3	53%	0.533	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-45.6	173.9	-174.9	174.6	178.3	0	0	110.9	L1082 E1083 Y1088 L1089 N1090	L1082-E1086 PolarHBondContact O-N 3.29Å; E1083-E1086 PolarHBondContact O-N 3.43Å; E1086-Y1088 VanDerWaalsContact C-N 3.3Å; E1086-Y1088 PolarHBondContact O-N 2.82Å; E1086-L1089 PolarHBondContact O-N 2.84Å; E1086-N1090 WeakPolarHBondContact O-CB 3.31Å; E1086-N1090 VanDerWaalsContact O-CG 3.31Å; E1086-N1090 PolarHBondContact O-N 3.38Å; E1086-N1090 PolarHBondContact O-ND2 2.88Å
1087	R	67.5	Low	61.9	Low	156 Å²	156	94 Å²	94	59%	0.589	46%	0.463	S	S	*	.	H	α-helix	trans	-58.1	-40.1	171.9	-71.1	170.4	179.3	-143.3	6.4	112.1	E1083 L1091	E1083-R1087 WeakPolarHBondContact O-CB 3.26Å; E1083-R1087 VanDerWaalsContact O-CG 3.23Å; E1083-R1087 WeakPolarHBondContact O-CG 3.23Å; E1083-R1087 PolarHBondContact O-N 3.25Å; E1083-R1087 IonicContact OE1-CZ 2.67Å; E1083-R1087 IonicContact OE1-NE 3.18Å; E1083-R1087 PolarHBondContact OE1-NE 3.41Å; E1083-R1087 IonicContact OE1-NH2 2.65Å; E1083-R1087 PolarHBondContact OE1-NH2 3.34Å; R1087-L1091 WeakPolarHBondContact O-CB 3.44Å; R1087-L1091 PolarHBondContact O-N 2.94Å
1088	Y	64	Low	62.8	Low	116 Å²	116	92.6 Å²	92.6	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-43.7	177.1	179.7	-89.3	0	0	0	112.5	N1084 S1085 E1086 L1091 Y1092	N1084-Y1088 VanDerWaalsContact O-CB 3.3Å; N1084-Y1088 WeakPolarHBondContact O-CB 3.23Å; N1084-Y1088 PolarHBondContact O-N 3.44Å; S1085-Y1088 PolarHBondContact O-N 3.34Å; E1086-Y1088 VanDerWaalsContact C-N 3.3Å; E1086-Y1088 PolarHBondContact O-N 2.82Å; Y1088-L1091 PolarHBondContact O-N 3.34Å; Y1088-Y1092 WeakPolarHBondContact O-CB 3.31Å; Y1088-Y1092 PolarHBondContact O-N 3.03Å
1089	L	65.6	Low	63.5	Low	46 Å²	46	93.4 Å²	93.4	24%	0.241	45%	0.452	C	S	.	.	H	α-helix	trans	-63.9	-45	176.1	-75.9	170.7	0	0	0	111.4	Y1060 S1085 E1086 L1091 Y1092 Y1093	Y1060-L1089 HydrophobicContact CD2-CD2 3.62Å; Y1060-L1089 HydrophobicContact CE2-CD2 3.95Å; Y1060-L1089 HydrophobicContact CG-CD2 4.06Å; S1085-L1089 WeakPolarHBondContact O-CG 3.41Å; S1085-L1089 PolarHBondContact O-N 2.87Å; E1086-L1089 PolarHBondContact O-N 2.84Å; L1089-L1091 VanDerWaalsContact C-N 3.34Å; L1089-L1091 PolarHBondContact O-N 2.93Å; L1089-Y1092 WeakPolarHBondContact O-CB 3.49Å; L1089-Y1092 PolarHBondContact O-N 2.86Å; L1089-Y1092 VanDerWaalsContact O-N 3.1Å; L1089-Y1093 HydrophobicContact CB-CD2 4.39Å; L1089-Y1093 HydrophobicContact CB-CE2 4.13Å; L1089-Y1093 HydrophobicContact CD2-CE2 4.47Å; L1089-Y1093 WeakPolarHBondContact O-CD2 3.38Å; L1089-Y1093 PolarHBondContact O-N 2.95Å
1090	N	68.2	Low	63.9	Low	88 Å²	88	95.3 Å²	95.3	47%	0.471	45%	0.453	S	S	.	.	H	α-helix	trans	-59.4	-43.6	175.6	-71.4	-26.3	0	0	0	111.8	E1086 Y1092 Y1093 D1094	E1086-N1090 WeakPolarHBondContact O-CB 3.31Å; E1086-N1090 VanDerWaalsContact O-CG 3.31Å; E1086-N1090 PolarHBondContact O-N 3.38Å; E1086-N1090 PolarHBondContact O-ND2 2.88Å; N1090-Y1092 VanDerWaalsContact C-N 3.29Å; N1090-Y1092 PolarHBondContact O-N 3.44Å; N1090-Y1093 PolarHBondContact O-N 2.8Å; N1090-D1094 WeakPolarHBondContact O-CB 3.43Å; N1090-D1094 PolarHBondContact O-N 2.87Å
1091	L	70.3	Confident	64.6	Low	120 Å²	120	93.8 Å²	93.8	63%	0.628	45%	0.445	S	S	*	.	H	α-helix	trans	-61.6	-36.7	175	-163	91.2	0	0	0	112.4	R1087 Y1088 L1089 E1095	R1087-L1091 WeakPolarHBondContact O-CB 3.44Å; R1087-L1091 PolarHBondContact O-N 2.94Å; Y1088-L1091 PolarHBondContact O-N 3.34Å; L1089-L1091 VanDerWaalsContact C-N 3.34Å; L1089-L1091 PolarHBondContact O-N 2.93Å; L1091-E1095 PolarHBondContact O-N 2.91Å; L1091-E1095 VanDerWaalsContact O-N 3.13Å
1092	Y	62.7	Low	65.3	Low	124 Å²	124	92.3 Å²	92.3	49%	0.486	43%	0.434	S	S	.	.	H	α-helix	trans	-70.9	-44.3	177.6	-173.3	-106.8	0	0	0	111.9	Y1088 L1089 N1090 E1095 L1096	Y1088-Y1092 WeakPolarHBondContact O-CB 3.31Å; Y1088-Y1092 PolarHBondContact O-N 3.03Å; L1089-Y1092 WeakPolarHBondContact O-CB 3.49Å; L1089-Y1092 PolarHBondContact O-N 2.86Å; L1089-Y1092 VanDerWaalsContact O-N 3.1Å; N1090-Y1092 VanDerWaalsContact C-N 3.29Å; N1090-Y1092 PolarHBondContact O-N 3.44Å; Y1092-E1095 PolarHBondContact O-N 3.45Å; Y1092-L1096 HydrophobicContact CD1-CD1 3.88Å; Y1092-L1096 HydrophobicContact CD1-CG 4.39Å; Y1092-L1096 HydrophobicContact CE1-CD1 3.54Å; Y1092-L1096 HydrophobicContact CE1-CG 4.13Å; Y1092-L1096 WeakPolarHBondContact O-CG 3.49Å; Y1092-L1096 PolarHBondContact O-N 2.93Å
1093	Y	61.5	Low	65.7	Low	44 Å²	44	95.2 Å²	95.2	17%	0.173	45%	0.447	C	S	.	.	H	α-helix	trans	-65	-38.9	174.7	-68.7	-54.4	0	0	0	112.3	W1059 Y1060 L1089 N1090 E1095 L1096 N1097	W1059-Y1093 HydrophobicContact CB-CE1 4.26Å; W1059-Y1093 PolarHBondContact N-OH 3.47Å; Y1060-Y1093 PolarHBondContact N-OH 2.76Å; L1089-Y1093 HydrophobicContact CB-CD2 4.39Å; L1089-Y1093 HydrophobicContact CB-CE2 4.13Å; L1089-Y1093 HydrophobicContact CD2-CE2 4.47Å; L1089-Y1093 WeakPolarHBondContact O-CD2 3.38Å; L1089-Y1093 PolarHBondContact O-N 2.95Å; N1090-Y1093 PolarHBondContact O-N 2.8Å; Y1093-E1095 PolarHBondContact O-N 3.11Å; Y1093-L1096 HydrophobicContact CD1-CD1 4.3Å; Y1093-L1096 PolarHBondContact O-N 2.81Å; Y1093-N1097 WeakPolarHBondContact O-CB 3.38Å; Y1093-N1097 PolarHBondContact O-N 2.97Å; Y1093-N1097 PolarHBondContact O-ND2 3.46Å
1094	D	67	Low	66.1	Low	92 Å²	92	96.2 Å²	96.2	49%	0.492	45%	0.45	S	S	.	.	H	α-helix	trans	-59.3	-44.5	172.2	-88.3	-13	0	0	0	111.7	N1090 N1097 K1098	N1090-D1094 WeakPolarHBondContact O-CB 3.43Å; N1090-D1094 PolarHBondContact O-N 2.87Å; D1094-N1097 PolarHBondContact O-N 3.46Å; D1094-K1098 WeakPolarHBondContact O-CE 3.18Å; D1094-K1098 WeakPolarHBondContact O-CG 3.33Å; D1094-K1098 PolarHBondContact O-N 2.89Å
1095	E	69.8	Low	66.4	Low	72 Å²	72	97.7 Å²	97.7	34%	0.336	45%	0.454	S	S	.	.	H	α-helix	trans	-69.9	-38	178.1	-168.4	56.9	-151.4	0	0	112.2	L1091 Y1092 Y1093 K1098 Q1099 R1102	L1091-E1095 PolarHBondContact O-N 2.91Å; L1091-E1095 VanDerWaalsContact O-N 3.13Å; Y1092-E1095 PolarHBondContact O-N 3.45Å; Y1093-E1095 PolarHBondContact O-N 3.11Å; E1095-K1098 PolarHBondContact O-N 3.1Å; E1095-K1098 WeakPolarHBondContact OE2-CE 3.04Å; E1095-K1098 IonicContact OE2-NZ 2.68Å; E1095-K1098 PolarHBondContact OE2-NZ 3.17Å; E1095-Q1099 VanDerWaalsContact O-CG 3.31Å; E1095-Q1099 WeakPolarHBondContact O-CG 3.47Å; E1095-Q1099 PolarHBondContact O-N 3.18Å; E1095-Q1099 PolarHBondContact OE1-NE2 3.33Å; E1095-R1102 IonicContact OE1-CZ 3.42Å; E1095-R1102 IonicContact OE1-NH1 3.63Å; E1095-R1102 IonicContact OE1-NH2 2.69Å; E1095-R1102 PolarHBondContact OE1-NH2 2.93Å
1096	L	63.1	Low	66.9	Low	65 Å²	65	100.9 Å²	100.9	34%	0.34	47%	0.467	S	S	.	.	H	α-helix	trans	-59.5	-44.5	170.7	-75.3	178.5	0	0	0	111.9	Y1092 Y1093 K1098 Q1099 F1100	Y1092-L1096 HydrophobicContact CD1-CD1 3.88Å; Y1092-L1096 HydrophobicContact CD1-CG 4.39Å; Y1092-L1096 HydrophobicContact CE1-CD1 3.54Å; Y1092-L1096 HydrophobicContact CE1-CG 4.13Å; Y1092-L1096 WeakPolarHBondContact O-CG 3.49Å; Y1092-L1096 PolarHBondContact O-N 2.93Å; Y1093-L1096 HydrophobicContact CD1-CD1 4.3Å; Y1093-L1096 PolarHBondContact O-N 2.81Å; L1096-K1098 PolarHBondContact O-N 3.5Å; L1096-Q1099 PolarHBondContact O-N 3.17Å; L1096-Q1099 VanDerWaalsContact O-N 3.11Å; L1096-F1100 PolarHBondContact O-N 3.4Å
1097	N	66.9	Low	67.2	Low	98 Å²	98	98.1 Å²	98.1	52%	0.524	46%	0.458	S	S	.	.	H	α-helix	trans	-59.6	-45.9	174.5	-76.2	-31.7	0	0	0	111.1	Y1093 D1094 Q1099 F1100 D1101	Y1093-N1097 WeakPolarHBondContact O-CB 3.38Å; Y1093-N1097 PolarHBondContact O-N 2.97Å; Y1093-N1097 PolarHBondContact O-ND2 3.46Å; D1094-N1097 PolarHBondContact O-N 3.46Å; N1097-Q1099 VanDerWaalsContact C-N 3.3Å; N1097-Q1099 PolarHBondContact O-N 3.12Å; N1097-F1100 PolarHBondContact O-N 3.36Å; N1097-D1101 PolarHBondContact O-N 3.43Å
1098	K	72.3	Confident	67.4	Low	102 Å²	102	94.2 Å²	94.2	44%	0.443	45%	0.449	S	S	.	.	H	α-helix	trans	-61.1	-33.9	173.7	-76.9	172.6	-98.9	154.2	0	112.9	D1094 E1095 L1096 R1102	D1094-K1098 WeakPolarHBondContact O-CE 3.18Å; D1094-K1098 WeakPolarHBondContact O-CG 3.33Å; D1094-K1098 PolarHBondContact O-N 2.89Å; E1095-K1098 PolarHBondContact O-N 3.1Å; E1095-K1098 WeakPolarHBondContact OE2-CE 3.04Å; E1095-K1098 IonicContact OE2-NZ 2.68Å; E1095-K1098 PolarHBondContact OE2-NZ 3.17Å; L1096-K1098 PolarHBondContact O-N 3.5Å; K1098-R1102 WeakPolarHBondContact O-CB 3.23Å; K1098-R1102 WeakPolarHBondContact O-CG 3.44Å; K1098-R1102 PolarHBondContact O-N 3.34Å; K1098-R1102 VanDerWaalsContact O-N 3.16Å; K1098-R1102 PolarHBondContact O-NE 3.34Å; K1098-R1102 PolarHBondContact O-NH2 2.99Å
1099	Q	66.7	Low	67.6	Low	94 Å²	94	94 Å²	94	44%	0.439	45%	0.452	S	S	.	.	H	α-helix	trans	-72.4	-39.3	174.4	-67.2	-65.8	-3.8	0	0	111.6	E1095 L1096 N1097 R1102 M1103	E1095-Q1099 VanDerWaalsContact O-CG 3.31Å; E1095-Q1099 WeakPolarHBondContact O-CG 3.47Å; E1095-Q1099 PolarHBondContact O-N 3.18Å; E1095-Q1099 PolarHBondContact OE1-NE2 3.33Å; L1096-Q1099 PolarHBondContact O-N 3.17Å; L1096-Q1099 VanDerWaalsContact O-N 3.11Å; N1097-Q1099 VanDerWaalsContact C-N 3.3Å; N1097-Q1099 PolarHBondContact O-N 3.12Å; Q1099-R1102 VanDerWaalsContact NE2-NH2 3.19Å; Q1099-R1102 PolarHBondContact O-N 3.27Å; Q1099-M1103 WeakPolarHBondContact O-CB 3.32Å; Q1099-M1103 PolarHBondContact O-N 3.07Å
1100	F	63	Low	67.7	Low	133 Å²	133	100.3 Å²	100.3	58%	0.583	47%	0.472	S	S	*	.	H	α-helix	trans	-64.8	-44	175.6	-171	-98.9	0	0	0	111.9	L1096 N1097 R1102 M1103 K1104	L1096-F1100 PolarHBondContact O-N 3.4Å; N1097-F1100 PolarHBondContact O-N 3.36Å; F1100-R1102 PolarHBondContact O-N 2.93Å; F1100-M1103 WeakPolarHBondContact O-CB 3.49Å; F1100-M1103 PolarHBondContact O-N 3Å; F1100-K1104 WeakPolarHBondContact O-CB 3.43Å; F1100-K1104 PolarHBondContact O-N 3.29Å
1101	D	69	Low	67.8	Low	81 Å²	81	101 Å²	101	43%	0.433	47%	0.471	S	S	.	.	H	α-helix	trans	-64.1	-38.9	174.2	-87.7	-31.3	0	0	0	112.5	N1097 K1104 Q1105	N1097-D1101 PolarHBondContact O-N 3.43Å; D1101-K1104 PolarHBondContact O-N 3.12Å; D1101-Q1105 WeakPolarHBondContact O-CB 3.5Å; D1101-Q1105 VanDerWaalsContact O-CG 3.27Å; D1101-Q1105 WeakPolarHBondContact O-CG 3.27Å; D1101-Q1105 PolarHBondContact O-N 2.74Å
1102	R	71	Confident	67.8	Low	102 Å²	102	98 Å²	98	39%	0.385	46%	0.461	S	S	.	.	H	α-helix	trans	-61.9	-43.2	170.9	-82.7	174	-74.5	-166.9	-1.9	111.7	E1095 K1098 Q1099 F1100 K1104 Q1105 L1106	E1095-R1102 IonicContact OE1-CZ 3.42Å; E1095-R1102 IonicContact OE1-NH1 3.63Å; E1095-R1102 IonicContact OE1-NH2 2.69Å; E1095-R1102 PolarHBondContact OE1-NH2 2.93Å; K1098-R1102 WeakPolarHBondContact O-CB 3.23Å; K1098-R1102 WeakPolarHBondContact O-CG 3.44Å; K1098-R1102 PolarHBondContact O-N 3.34Å; K1098-R1102 VanDerWaalsContact O-N 3.16Å; K1098-R1102 PolarHBondContact O-NE 3.34Å; K1098-R1102 PolarHBondContact O-NH2 2.99Å; Q1099-R1102 VanDerWaalsContact NE2-NH2 3.19Å; Q1099-R1102 PolarHBondContact O-N 3.27Å; F1100-R1102 PolarHBondContact O-N 2.93Å; R1102-K1104 VanDerWaalsContact C-N 3.34Å; R1102-K1104 PolarHBondContact O-N 3.31Å; R1102-Q1105 PolarHBondContact O-N 3.39Å; R1102-L1106 WeakPolarHBondContact O-CB 3.32Å; R1102-L1106 VanDerWaalsContact O-CG 3.3Å; R1102-L1106 WeakPolarHBondContact O-CG 3.29Å; R1102-L1106 PolarHBondContact O-N 3.11Å
1103	M	61.2	Low	68	Low	119 Å²	119	96.5 Å²	96.5	59%	0.586	46%	0.461	S	S	*	.	H	α-helix	trans	-64.3	-38.1	176.7	-166.6	-172.7	-57.2	0	0	112.2	Q1099 F1100 T1107	Q1099-M1103 WeakPolarHBondContact O-CB 3.32Å; Q1099-M1103 PolarHBondContact O-N 3.07Å; F1100-M1103 WeakPolarHBondContact O-CB 3.49Å; F1100-M1103 PolarHBondContact O-N 3Å; M1103-T1107 VanDerWaalsContact O-CB 3.31Å; M1103-T1107 WeakPolarHBondContact O-CB 3.18Å; M1103-T1107 PolarHBondContact O-N 3.15Å; M1103-T1107 PolarHBondContact O-OG1 3.48Å
1104	K	70.8	Confident	68.4	Low	112 Å²	112	97.6 Å²	97.6	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-66.2	-47.5	174.6	-177.7	179.8	174.6	-173	0	111.6	F1100 D1101 R1102 L1106 T1107 D1108	F1100-K1104 WeakPolarHBondContact O-CB 3.43Å; F1100-K1104 PolarHBondContact O-N 3.29Å; D1101-K1104 PolarHBondContact O-N 3.12Å; R1102-K1104 VanDerWaalsContact C-N 3.34Å; R1102-K1104 PolarHBondContact O-N 3.31Å; K1104-L1106 PolarHBondContact O-N 3.4Å; K1104-T1107 CarbonylContact O-C 3.34Å; K1104-T1107 WeakPolarHBondContact O-CB 3Å; K1104-T1107 PolarHBondContact O-N 3.01Å; K1104-T1107 VanDerWaalsContact O-N 3.09Å; K1104-D1108 PolarHBondContact O-N 3.08Å
1105	Q	73.2	Confident	68.6	Low	134 Å²	134	97.9 Å²	97.9	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-58.4	-44.4	173.4	-72.7	173.1	15	0	0	112	D1101 R1102 T1107 D1108 H1109	D1101-Q1105 WeakPolarHBondContact O-CB 3.5Å; D1101-Q1105 VanDerWaalsContact O-CG 3.27Å; D1101-Q1105 WeakPolarHBondContact O-CG 3.27Å; D1101-Q1105 PolarHBondContact O-N 2.74Å; R1102-Q1105 PolarHBondContact O-N 3.39Å; Q1105-T1107 VanDerWaalsContact C-N 3.32Å; Q1105-T1107 PolarHBondContact O-N 3.18Å; Q1105-D1108 PolarHBondContact O-N 2.86Å; Q1105-H1109 VanDerWaalsContact O-CB 3.27Å; Q1105-H1109 WeakPolarHBondContact O-CB 3.34Å; Q1105-H1109 PolarHBondContact O-N 3.45Å
1106	L	69.8	Low	68.6	Low	106 Å²	106	96.7 Å²	96.7	56%	0.555	46%	0.464	S	S	*	.	H	α-helix	trans	-63.4	-36.8	174.2	-73.7	169.3	0	0	0	112.3	R1102 K1104 R1110	R1102-L1106 WeakPolarHBondContact O-CB 3.32Å; R1102-L1106 VanDerWaalsContact O-CG 3.3Å; R1102-L1106 WeakPolarHBondContact O-CG 3.29Å; R1102-L1106 PolarHBondContact O-N 3.11Å; K1104-L1106 PolarHBondContact O-N 3.4Å; L1106-R1110 WeakPolarHBondContact O-CB 3.43Å; L1106-R1110 VanDerWaalsContact O-CG 3.27Å; L1106-R1110 WeakPolarHBondContact O-CG 3.36Å; L1106-R1110 PolarHBondContact O-N 3.25Å
1107	T	68	Low	68.7	Low	56 Å²	56	95 Å²	95	34%	0.344	46%	0.462	S	S	.	.	H	α-helix	trans	-69	-43.5	177.2	-62.4	0	0	0	0	111.5	M1103 K1104 Q1105 R1110 K1111	M1103-T1107 VanDerWaalsContact O-CB 3.31Å; M1103-T1107 WeakPolarHBondContact O-CB 3.18Å; M1103-T1107 PolarHBondContact O-N 3.15Å; M1103-T1107 PolarHBondContact O-OG1 3.48Å; K1104-T1107 CarbonylContact O-C 3.34Å; K1104-T1107 WeakPolarHBondContact O-CB 3Å; K1104-T1107 PolarHBondContact O-N 3.01Å; K1104-T1107 VanDerWaalsContact O-N 3.09Å; Q1105-T1107 VanDerWaalsContact C-N 3.32Å; Q1105-T1107 PolarHBondContact O-N 3.18Å; T1107-R1110 WeakPolarHBondContact O-CB 3.5Å; T1107-R1110 PolarHBondContact O-N 3.26Å; T1107-K1111 WeakPolarHBondContact O-CG 3.31Å; T1107-K1111 PolarHBondContact O-N 3.43Å
1108	D	71.4	Confident	68.8	Low	74 Å²	74	95.9 Å²	95.9	40%	0.396	46%	0.461	S	S	.	.	H	α-helix	trans	-73.1	-30.6	177.8	-67.3	-26.2	0	0	0	111.7	K1104 Q1105 K1111 S1112	K1104-D1108 PolarHBondContact O-N 3.08Å; Q1105-D1108 PolarHBondContact O-N 2.86Å; D1108-K1111 PolarHBondContact O-N 3.46Å; D1108-K1111 IonicContact OD1-NZ 3.38Å; D1108-K1111 PolarHBondContact OD1-NZ 3.36Å; D1108-S1112 WeakPolarHBondContact O-CB 3.02Å; D1108-S1112 PolarHBondContact O-N 3.29Å
1109	H	67.3	Low	68.6	Low	113 Å²	113	93.1 Å²	93.1	52%	0.523	45%	0.453	S	S	.	.	H	α-helix	trans	-64.5	-43.8	167	-171.9	83	0	0	0	111.7	Q1105 S1112 L1113	Q1105-H1109 VanDerWaalsContact O-CB 3.27Å; Q1105-H1109 WeakPolarHBondContact O-CB 3.34Å; Q1105-H1109 PolarHBondContact O-N 3.45Å; H1109-S1112 WeakPolarHBondContact O-CB 3.49Å; H1109-S1112 PolarHBondContact O-N 2.99Å; H1109-L1113 WeakPolarHBondContact O-CG 3.49Å; H1109-L1113 PolarHBondContact O-N 3.43Å
1110	R	68.2	Low	68.6	Low	177 Å²	177	94.9 Å²	94.9	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-60.8	-44.7	172.5	-77	171.3	177.1	-177.5	-0.8	112.1	L1106 T1107 S1112 L1113 V1114	L1106-R1110 WeakPolarHBondContact O-CB 3.43Å; L1106-R1110 VanDerWaalsContact O-CG 3.27Å; L1106-R1110 WeakPolarHBondContact O-CG 3.36Å; L1106-R1110 PolarHBondContact O-N 3.25Å; T1107-R1110 WeakPolarHBondContact O-CB 3.5Å; T1107-R1110 PolarHBondContact O-N 3.26Å; R1110-S1112 VanDerWaalsContact C-N 3.3Å; R1110-S1112 PolarHBondContact O-N 3.02Å; R1110-L1113 PolarHBondContact O-N 2.73Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.45Å; R1110-V1114 PolarHBondContact O-N 2.7Å
1111	K	70.3	Confident	68.8	Low	102 Å²	102	90.7 Å²	90.7	44%	0.443	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-40.6	173.3	-70.7	172.6	-167.8	156.1	0	111.6	T1107 D1108 V1114 K1115	T1107-K1111 WeakPolarHBondContact O-CG 3.31Å; T1107-K1111 PolarHBondContact O-N 3.43Å; D1108-K1111 PolarHBondContact O-N 3.46Å; D1108-K1111 IonicContact OD1-NZ 3.38Å; D1108-K1111 PolarHBondContact OD1-NZ 3.36Å; K1111-V1114 PolarHBondContact O-N 2.69Å; K1111-K1115 WeakPolarHBondContact O-CB 3.4Å; K1111-K1115 PolarHBondContact O-N 3.01Å
1112	S	69.7	Low	68.5	Low	59 Å²	59	90.5 Å²	90.5	41%	0.413	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-47.6	175.5	-168.7	0	0	0	0	111.4	D1108 H1109 R1110 V1114 K1115 I1116	D1108-S1112 WeakPolarHBondContact O-CB 3.02Å; D1108-S1112 PolarHBondContact O-N 3.29Å; H1109-S1112 WeakPolarHBondContact O-CB 3.49Å; H1109-S1112 PolarHBondContact O-N 2.99Å; R1110-S1112 VanDerWaalsContact C-N 3.3Å; R1110-S1112 PolarHBondContact O-N 3.02Å; S1112-V1114 PolarHBondContact O-N 2.71Å; S1112-K1115 PolarHBondContact O-N 3.28Å; S1112-I1116 WeakPolarHBondContact O-CB 3.4Å; S1112-I1116 VanDerWaalsContact O-CG1 3.31Å; S1112-I1116 WeakPolarHBondContact O-CG1 3.41Å; S1112-I1116 PolarHBondContact O-N 3.41Å
1113	L	68.3	Low	68.2	Low	92 Å²	92	88.4 Å²	88.4	48%	0.482	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-40.8	174.2	-73.1	173.4	0	0	0	112.4	H1109 R1110 I1116 G1117	H1109-L1113 WeakPolarHBondContact O-CG 3.49Å; H1109-L1113 PolarHBondContact O-N 3.43Å; R1110-L1113 PolarHBondContact O-N 2.73Å; L1113-I1116 PolarHBondContact O-N 3.04Å; L1113-G1117 PolarHBondContact O-N 3.43Å
1114	V	69.1	Low	68.4	Low	66 Å²	66	84.7 Å²	84.7	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-67	-39.3	174.7	171.5	0	0	0	0	111.5	Y1035 R1110 K1111 S1112 G1117 K1118	Y1035-V1114 HydrophobicContact CE1-CG1 4.44Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.45Å; R1110-V1114 PolarHBondContact O-N 2.7Å; K1111-V1114 PolarHBondContact O-N 2.69Å; S1112-V1114 PolarHBondContact O-N 2.71Å; V1114-G1117 PolarHBondContact O-N 2.78Å; V1114-K1118 HydrophobicContact CG1-CD 4.31Å; V1114-K1118 WeakPolarHBondContact O-CB 3.47Å; V1114-K1118 WeakPolarHBondContact O-CG 3.49Å; V1114-K1118 PolarHBondContact O-N 3.03Å
1115	K	71.3	Confident	68.1	Low	98 Å²	98	82.2 Å²	82.2	43%	0.426	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-40.2	174.9	-170.7	175.4	-179	179	0	111.5	K1111 S1112 T1119	K1111-K1115 WeakPolarHBondContact O-CB 3.4Å; K1111-K1115 PolarHBondContact O-N 3.01Å; S1112-K1115 PolarHBondContact O-N 3.28Å; K1115-T1119 WeakPolarHBondContact O-CB 3.5Å; K1115-T1119 PolarHBondContact O-N 3Å; K1115-T1119 PolarHBondContact O-OG1 3.5Å
1116	I	69	Low	67.6	Low	48 Å²	48	78 Å²	78	25%	0.246	41%	0.411	C	S	.	.	H	α-helix	trans	-61.9	-49.5	172.5	-76.4	163.8	0	0	0	110.3	F713 S1112 L1113 T1119 W1120	F713-I1116 HydrophobicContact CD1-CD1 4.25Å; F713-I1116 HydrophobicContact CD1-CG1 4.3Å; F713-I1116 HydrophobicContact CE1-CB 4.26Å; F713-I1116 HydrophobicContact CE1-CD1 4.15Å; F713-I1116 HydrophobicContact CE1-CG1 3.89Å; F713-I1116 HydrophobicContact CE1-CG2 3.46Å; F713-I1116 VanDerWaalsContact CE1-CG2 3.46Å; F713-I1116 HydrophobicContact CZ-CG2 3.54Å; S1112-I1116 WeakPolarHBondContact O-CB 3.4Å; S1112-I1116 VanDerWaalsContact O-CG1 3.31Å; S1112-I1116 WeakPolarHBondContact O-CG1 3.41Å; S1112-I1116 PolarHBondContact O-N 3.41Å; L1113-I1116 PolarHBondContact O-N 3.04Å; I1116-T1119 WeakPolarHBondContact O-CB 3.18Å; I1116-T1119 PolarHBondContact O-N 2.87Å; I1116-T1119 VanDerWaalsContact O-N 3.14Å; I1116-W1120 WeakPolarHBondContact O-CB 3.37Å; I1116-W1120 PolarHBondContact O-N 3.14Å
1117	G	65.9	Low	67	Low	29 Å²	29	74 Å²	74	30%	0.299	39%	0.391	S	S	.	.	H	α-helix	trans	-58.9	-49.5	177.6	0	0	0	0	0	112.3	L1113 V1114 T1119 W1120 T1121	L1113-G1117 PolarHBondContact O-N 3.43Å; V1114-G1117 PolarHBondContact O-N 2.78Å; G1117-T1119 VanDerWaalsContact C-N 3.27Å; G1117-T1119 PolarHBondContact O-N 3.48Å; G1117-W1120 PolarHBondContact O-N 3.45Å; G1117-T1121 WeakPolarHBondContact O-CB 3.33Å; G1117-T1121 PolarHBondContact O-N 3.25Å; G1117-T1121 PolarHBondContact O-OG1 3.09Å; G1117-T1121 VanDerWaalsContact O-OG1 3.12Å
1118	K	69.2	Low	66.5	Low	116 Å²	116	74 Å²	74	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-37.8	174	-74.2	-176.5	178.7	-171.5	0	112.4	Y1035 V1114 S1122	Y1035-K1118 PolarHBondContact OH-NZ 3.42Å; V1114-K1118 HydrophobicContact CG1-CD 4.31Å; V1114-K1118 WeakPolarHBondContact O-CB 3.47Å; V1114-K1118 WeakPolarHBondContact O-CG 3.49Å; V1114-K1118 PolarHBondContact O-N 3.03Å; K1118-S1122 WeakPolarHBondContact O-CB 3.47Å; K1118-S1122 PolarHBondContact O-N 3.48Å
1119	T	67.2	Low	65.8	Low	44 Å²	44	73.4 Å²	73.4	27%	0.27	39%	0.394	S	S	.	.	H	α-helix	trans	-67.9	-45.5	175.8	-54.9	0	0	0	0	111.4	L717 K1115 I1116 G1117 S1122 V1123	L717-T1119 HydrophobicContact CD1-CG2 4.4Å; K1115-T1119 WeakPolarHBondContact O-CB 3.5Å; K1115-T1119 PolarHBondContact O-N 3Å; K1115-T1119 PolarHBondContact O-OG1 3.5Å; I1116-T1119 WeakPolarHBondContact O-CB 3.18Å; I1116-T1119 PolarHBondContact O-N 2.87Å; I1116-T1119 VanDerWaalsContact O-N 3.14Å; G1117-T1119 VanDerWaalsContact C-N 3.27Å; G1117-T1119 PolarHBondContact O-N 3.48Å; T1119-S1122 PolarHBondContact O-N 3.07Å; T1119-V1123 WeakPolarHBondContact O-CG2 3.5Å; T1119-V1123 PolarHBondContact O-N 2.89Å
1120	W	68.3	Low	65.2	Low	131 Å²	131	74.6 Å²	74.6	50%	0.496	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-46.9	179.5	-172	78.5	0	0	0	111.8	I1116 G1117 S1122 V1123 I1124	I1116-W1120 WeakPolarHBondContact O-CB 3.37Å; I1116-W1120 PolarHBondContact O-N 3.14Å; G1117-W1120 PolarHBondContact O-N 3.45Å; W1120-S1122 PolarHBondContact O-N 2.92Å; W1120-V1123 PolarHBondContact O-N 3.33Å; W1120-I1124 HydrophobicContact CD2-CD1 3.62Å; W1120-I1124 VanDerWaalsContact CE2-CD1 3.43Å; W1120-I1124 HydrophobicContact CE3-CD1 3.75Å; W1120-I1124 HydrophobicContact CG-CD1 4.38Å; W1120-I1124 HydrophobicContact CH2-CD1 3.57Å; W1120-I1124 HydrophobicContact CZ2-CD1 3.43Å; W1120-I1124 VanDerWaalsContact CZ2-CD1 3.43Å; W1120-I1124 HydrophobicContact CZ3-CD1 3.73Å; W1120-I1124 WeakPolarHBondContact O-CG1 3.49Å; W1120-I1124 PolarHBondContact O-N 3.03Å
1121	T	65.8	Low	64.6	Low	45 Å²	45	67.1 Å²	67.1	28%	0.276	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-41.8	172.7	-57.2	0	0	0	0	111.3	F761 G1117 V1123 I1124 C1125	F761-T1121 HydrophobicContact CE1-CG2 4.27Å; G1117-T1121 WeakPolarHBondContact O-CB 3.33Å; G1117-T1121 PolarHBondContact O-N 3.25Å; G1117-T1121 PolarHBondContact O-OG1 3.09Å; G1117-T1121 VanDerWaalsContact O-OG1 3.12Å; T1121-V1123 PolarHBondContact O-N 3.17Å; T1121-I1124 PolarHBondContact O-N 2.99Å; T1121-C1125 WeakPolarHBondContact O-CB 3.41Å; T1121-C1125 PolarHBondContact O-N 2.92Å; T1121-C1125 PolarHBondContact O-SG 3.34Å
1122	S	63.8	Low	64	Low	78 Å²	78	70.1 Å²	70.1	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-43.3	176.2	179.6	0	0	0	0	112.4	K1118 T1119 W1120 A1126	K1118-S1122 WeakPolarHBondContact O-CB 3.47Å; K1118-S1122 PolarHBondContact O-N 3.48Å; T1119-S1122 PolarHBondContact O-N 3.07Å; W1120-S1122 PolarHBondContact O-N 2.92Å; S1122-A1126 VanDerWaalsContact O-CB 3.23Å; S1122-A1126 WeakPolarHBondContact O-CB 3.45Å; S1122-A1126 PolarHBondContact O-N 2.9Å
1123	V	64.5	Low	63.2	Low	57 Å²	57	73.4 Å²	73.4	35%	0.345	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-43.4	174.5	169.1	0	0	0	0	111.1	T1119 W1120 T1121 A1126 S1127	T1119-V1123 WeakPolarHBondContact O-CG2 3.5Å; T1119-V1123 PolarHBondContact O-N 2.89Å; W1120-V1123 PolarHBondContact O-N 3.33Å; T1121-V1123 PolarHBondContact O-N 3.17Å; V1123-A1126 PolarHBondContact O-N 3.26Å; V1123-S1127 WeakPolarHBondContact O-CB 3.43Å; V1123-S1127 PolarHBondContact O-N 3.19Å; V1123-S1127 PolarHBondContact O-OG 3.27Å; V1123-S1127 VanDerWaalsContact O-OG 3.09Å
1124	I	65.8	Low	62.5	Low	42 Å²	42	71.2 Å²	71.2	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-67	-45.5	178.2	-72.7	173.7	0	0	0	111.4	W1120 T1121 A1126 S1127 M1128	W1120-I1124 HydrophobicContact CD2-CD1 3.62Å; W1120-I1124 VanDerWaalsContact CE2-CD1 3.43Å; W1120-I1124 HydrophobicContact CE3-CD1 3.75Å; W1120-I1124 HydrophobicContact CG-CD1 4.38Å; W1120-I1124 HydrophobicContact CH2-CD1 3.57Å; W1120-I1124 HydrophobicContact CZ2-CD1 3.43Å; W1120-I1124 VanDerWaalsContact CZ2-CD1 3.43Å; W1120-I1124 HydrophobicContact CZ3-CD1 3.73Å; W1120-I1124 WeakPolarHBondContact O-CG1 3.49Å; W1120-I1124 PolarHBondContact O-N 3.03Å; T1121-I1124 PolarHBondContact O-N 2.99Å; I1124-A1126 PolarHBondContact O-N 3.39Å; I1124-S1127 PolarHBondContact O-N 3.5Å; I1124-M1128 HydrophobicContact CG2-CE 3.87Å; I1124-M1128 HydrophobicContact CG2-CG 4.36Å; I1124-M1128 HydrophobicContact CG2-SD 4.09Å; I1124-M1128 WeakPolarHBondContact O-CB 3.42Å; I1124-M1128 WeakPolarHBondContact O-CG 3.43Å; I1124-M1128 PolarHBondContact O-N 3.43Å
1125	C	63.4	Low	61.7	Low	60 Å²	60	71.8 Å²	71.8	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-39.6	174.8	-70.2	0	0	0	0	112.2	T1121 M1128 A1129	T1121-C1125 WeakPolarHBondContact O-CB 3.41Å; T1121-C1125 PolarHBondContact O-N 2.92Å; T1121-C1125 PolarHBondContact O-SG 3.34Å; C1125-M1128 PolarHBondContact O-N 2.94Å; C1125-A1129 VanDerWaalsContact O-CB 3.27Å; C1125-A1129 WeakPolarHBondContact O-CB 3.47Å; C1125-A1129 PolarHBondContact O-N 3.03Å
1126	A	62.4	Low	61	Low	46 Å²	46	71.4 Å²	71.4	38%	0.38	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-40.9	174.3	0	0	0	0	0	111.8	S1122 V1123 I1124 R1130	S1122-A1126 VanDerWaalsContact O-CB 3.23Å; S1122-A1126 WeakPolarHBondContact O-CB 3.45Å; S1122-A1126 PolarHBondContact O-N 2.9Å; V1123-A1126 PolarHBondContact O-N 3.26Å; I1124-A1126 PolarHBondContact O-N 3.39Å; A1126-R1130 VanDerWaalsContact O-CG 3.31Å; A1126-R1130 WeakPolarHBondContact O-CG 3.22Å; A1126-R1130 PolarHBondContact O-N 3.19Å
1127	S	57.9	Low	60.2	Low	20 Å²	20	72.8 Å²	72.8	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-64.9	-45.9	173.5	-67.8	0	0	0	0	112	V1123 I1124 A1129 R1130 F1131	V1123-S1127 WeakPolarHBondContact O-CB 3.43Å; V1123-S1127 PolarHBondContact O-N 3.19Å; V1123-S1127 PolarHBondContact O-OG 3.27Å; V1123-S1127 VanDerWaalsContact O-OG 3.09Å; I1124-S1127 PolarHBondContact O-N 3.5Å; S1127-A1129 PolarHBondContact O-N 2.92Å; S1127-R1130 WeakPolarHBondContact O-CB 3.4Å; S1127-R1130 PolarHBondContact O-N 3.09Å; S1127-F1131 WeakPolarHBondContact O-CD2 3.32Å; S1127-F1131 WeakPolarHBondContact O-CG 3.5Å; S1127-F1131 PolarHBondContact O-N 2.93Å
1128	M	57.2	Low	59.5	Low	58 Å²	58	74 Å²	74	29%	0.286	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-39.2	175.9	-69.6	-174.1	-51.5	0	0	112.1	L763 I1124 C1125 F1131 Y1132	L763-M1128 HydrophobicContact CD2-CE 3.88Å; L763-M1128 HydrophobicContact CD2-SD 4.45Å; I1124-M1128 HydrophobicContact CG2-CE 3.87Å; I1124-M1128 HydrophobicContact CG2-CG 4.36Å; I1124-M1128 HydrophobicContact CG2-SD 4.09Å; I1124-M1128 WeakPolarHBondContact O-CB 3.42Å; I1124-M1128 WeakPolarHBondContact O-CG 3.43Å; I1124-M1128 PolarHBondContact O-N 3.43Å; C1125-M1128 PolarHBondContact O-N 2.94Å; M1128-F1131 PolarHBondContact O-N 3.17Å; M1128-Y1132 WeakPolarHBondContact O-CB 3.44Å; M1128-Y1132 PolarHBondContact O-N 2.98Å
1129	A	57.9	Low	58.8	Low	61 Å²	61	73.1 Å²	73.1	50%	0.504	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-36	173.8	0	0	0	0	0	112.4	C1125 S1127 K1133	C1125-A1129 VanDerWaalsContact O-CB 3.27Å; C1125-A1129 WeakPolarHBondContact O-CB 3.47Å; C1125-A1129 PolarHBondContact O-N 3.03Å; S1127-A1129 PolarHBondContact O-N 2.92Å; A1129-K1133 VanDerWaalsContact O-CB 3.29Å; A1129-K1133 WeakPolarHBondContact O-CB 3.43Å; A1129-K1133 PolarHBondContact O-N 3.36Å
1130	R	54.9	Low	58.3	Low	138 Å²	138	75.1 Å²	75.1	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-64.1	-44	169.7	-72.6	174.3	-171	-162.8	4.4	111.2	A1126 S1127 K1133 F1134	A1126-R1130 VanDerWaalsContact O-CG 3.31Å; A1126-R1130 WeakPolarHBondContact O-CG 3.22Å; A1126-R1130 PolarHBondContact O-N 3.19Å; S1127-R1130 WeakPolarHBondContact O-CB 3.4Å; S1127-R1130 PolarHBondContact O-N 3.09Å; R1130-K1133 PolarHBondContact O-N 3.46Å; R1130-F1134 VanDerWaalsContact O-CB 3.31Å; R1130-F1134 WeakPolarHBondContact O-CB 3.39Å; R1130-F1134 PolarHBondContact O-N 3.06Å
1131	F	55.3	Low	57.7	Low	20 Å²	20	73.2 Å²	73.2	9%	0.088	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-44.2	176.6	-70.9	-56	0	0	0	112.3	M731 F742 S1127 M1128 K1133 F1134 D1135	M731-F1131 HydrophobicContact CE-CD1 4.09Å; M731-F1131 HydrophobicContact CE-CE1 3.94Å; M731-F1131 HydrophobicContact SD-CD1 4.26Å; M731-F1131 HydrophobicContact SD-CE1 3.51Å; M731-F1131 VanDerWaalsContact SD-CE1 3.51Å; M731-F1131 HydrophobicContact SD-CZ 4.11Å; F742-F1131 HydrophobicContact CE1-CB 4.48Å; S1127-F1131 WeakPolarHBondContact O-CD2 3.32Å; S1127-F1131 WeakPolarHBondContact O-CG 3.5Å; S1127-F1131 PolarHBondContact O-N 2.93Å; M1128-F1131 PolarHBondContact O-N 3.17Å; F1131-K1133 PolarHBondContact O-N 2.65Å; F1131-F1134 CarbonylContact O-C 3.48Å; F1131-F1134 WeakPolarHBondContact O-CB 3.15Å; F1131-F1134 PolarHBondContact O-N 2.86Å; F1131-F1134 VanDerWaalsContact O-N 3.13Å; F1131-D1135 PolarHBondContact O-N 3.19Å
1132	Y	56.4	Low	57.2	Low	165 Å²	165	74.9 Å²	74.9	65%	0.647	39%	0.394	S	S	*	.	H	α-helix	trans	-64	-41.7	177	-165.9	-93.7	0	0	0	112	M1128 F1134 D1135 H1136	M1128-Y1132 WeakPolarHBondContact O-CB 3.44Å; M1128-Y1132 PolarHBondContact O-N 2.98Å; Y1132-F1134 VanDerWaalsContact C-N 3.3Å; Y1132-F1134 PolarHBondContact O-N 3.23Å; Y1132-D1135 PolarHBondContact O-N 3.49Å; Y1132-H1136 AromaticContact CE1-CD2 3.73Å; Y1132-H1136 PolarHBondContact O-N 3.29Å
1133	K	53.3	Low	56.7	Low	128 Å²	128	73.1 Å²	73.1	56%	0.557	38%	0.382	S	S	*	.	H	α-helix	trans	-66.6	-31.8	173	-170.4	169.6	-175.3	173	0	112.3	A1129 R1130 F1131 N1137	A1129-K1133 VanDerWaalsContact O-CB 3.29Å; A1129-K1133 WeakPolarHBondContact O-CB 3.43Å; A1129-K1133 PolarHBondContact O-N 3.36Å; R1130-K1133 PolarHBondContact O-N 3.46Å; F1131-K1133 PolarHBondContact O-N 2.65Å; K1133-N1137 WeakPolarHBondContact O-CB 3.3Å; K1133-N1137 PolarHBondContact O-N 3.1Å; K1133-N1137 PolarHBondContact O-ND2 3.47Å
1134	F	53.3	Low	56.5	Low	46 Å²	46	74.6 Å²	74.6	20%	0.202	39%	0.386	C	S	.	.	H	α-helix	trans	-68.9	-43	173.6	-171.5	-98.3	0	0	0	111.7	L732 R1130 F1131 Y1132 N1137 L1138	L732-F1134 HydrophobicContact CB-CZ 4.46Å; L732-F1134 HydrophobicContact CD1-CD2 3.95Å; L732-F1134 HydrophobicContact CD1-CE2 3.37Å; L732-F1134 HydrophobicContact CD1-CZ 3.71Å; L732-F1134 HydrophobicContact CD2-CE2 4.34Å; L732-F1134 HydrophobicContact CG-CE2 3.53Å; L732-F1134 HydrophobicContact CG-CZ 3.69Å; R1130-F1134 VanDerWaalsContact O-CB 3.31Å; R1130-F1134 WeakPolarHBondContact O-CB 3.39Å; R1130-F1134 PolarHBondContact O-N 3.06Å; F1131-F1134 CarbonylContact O-C 3.48Å; F1131-F1134 WeakPolarHBondContact O-CB 3.15Å; F1131-F1134 PolarHBondContact O-N 2.86Å; F1131-F1134 VanDerWaalsContact O-N 3.13Å; Y1132-F1134 VanDerWaalsContact C-N 3.3Å; Y1132-F1134 PolarHBondContact O-N 3.23Å; F1134-N1137 PolarHBondContact O-N 2.85Å; F1134-L1138 HydrophobicContact CE1-CD1 4.3Å; F1134-L1138 HydrophobicContact CE1-CD2 4.42Å; F1134-L1138 HydrophobicContact CZ-CD1 4.31Å; F1134-L1138 WeakPolarHBondContact O-CB 3.21Å; F1134-L1138 PolarHBondContact O-N 2.91Å
1135	D	52.7	Low	56	Low	77 Å²	77	78.8 Å²	78.8	41%	0.412	40%	0.403	S	S	.	.	H	α-helix	trans	-63.8	-43.8	177.9	-142.5	8.3	0	0	0	111	F1131 Y1132 N1137 L1138 L1139	F1131-D1135 PolarHBondContact O-N 3.19Å; Y1132-D1135 PolarHBondContact O-N 3.49Å; D1135-N1137 PolarHBondContact O-N 2.68Å; D1135-L1138 PolarHBondContact O-N 3.45Å; D1135-L1139 WeakPolarHBondContact O-CB 3.38Å; D1135-L1139 PolarHBondContact O-N 3.31Å
1136	H	56.4	Low	55.6	Low	91 Å²	91	78.7 Å²	78.7	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-57.8	-45.5	171.3	-116.3	-63.8	0	0	0	112.8	Y1132 L1138 L1139 I1140	Y1132-H1136 AromaticContact CE1-CD2 3.73Å; Y1132-H1136 PolarHBondContact O-N 3.29Å; H1136-L1138 VanDerWaalsContact C-N 3.35Å; H1136-L1139 PolarHBondContact O-N 2.99Å; H1136-I1140 WeakPolarHBondContact O-CD1 3.4Å; H1136-I1140 VanDerWaalsContact O-CG1 3.26Å; H1136-I1140 WeakPolarHBondContact O-CG1 3.34Å; H1136-I1140 PolarHBondContact O-N 3.23Å
1137	N	52.4	Low	55.3	Low	77 Å²	77	80.2 Å²	80.2	41%	0.412	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-37.6	176.6	-75.8	-15.3	0	0	0	111.9	K1133 F1134 D1135 I1140 I1141	K1133-N1137 WeakPolarHBondContact O-CB 3.3Å; K1133-N1137 PolarHBondContact O-N 3.1Å; K1133-N1137 PolarHBondContact O-ND2 3.47Å; F1134-N1137 PolarHBondContact O-N 2.85Å; D1135-N1137 PolarHBondContact O-N 2.68Å; N1137-I1140 PolarHBondContact O-N 3.38Å; N1137-I1141 WeakPolarHBondContact O-CB 3.46Å; N1137-I1141 WeakPolarHBondContact O-CD1 3.41Å; N1137-I1141 VanDerWaalsContact O-CG1 3.24Å; N1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; N1137-I1141 PolarHBondContact O-N 3.25Å
1138	L	51.7	Low	55.2	Low	53 Å²	53	85 Å²	85	28%	0.277	43%	0.428	S	S	.	.	H	α-helix	trans	-68.6	-39.8	178.6	-162.8	73.4	0	0	0	111.1	F1134 D1135 H1136 I1141 T1142	F1134-L1138 HydrophobicContact CE1-CD1 4.3Å; F1134-L1138 HydrophobicContact CE1-CD2 4.42Å; F1134-L1138 HydrophobicContact CZ-CD1 4.31Å; F1134-L1138 WeakPolarHBondContact O-CB 3.21Å; F1134-L1138 PolarHBondContact O-N 2.91Å; D1135-L1138 PolarHBondContact O-N 3.45Å; H1136-L1138 VanDerWaalsContact C-N 3.35Å; L1138-I1141 PolarHBondContact O-N 2.99Å; L1138-T1142 WeakPolarHBondContact O-CB 3.32Å; L1138-T1142 PolarHBondContact O-N 3.41Å; L1138-T1142 PolarHBondContact O-OG1 3.35Å
1139	L	54	Low	55	Low	99 Å²	99	88.7 Å²	88.7	52%	0.518	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-46.6	172.8	-159.1	83.2	0	0	0	111.1	T789 D1135 H1136 T1142 S1143	T789-L1139 HydrophobicContact CG2-CD2 4.22Å; D1135-L1139 WeakPolarHBondContact O-CB 3.38Å; D1135-L1139 PolarHBondContact O-N 3.31Å; H1136-L1139 PolarHBondContact O-N 2.99Å; L1139-T1142 PolarHBondContact O-N 2.9Å; L1139-S1143 WeakPolarHBondContact O-CB 3.34Å; L1139-S1143 PolarHBondContact O-N 3.46Å
1140	I	56.3	Low	54.8	Low	86 Å²	86	91.1 Å²	91.1	44%	0.441	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-48.8	177	-69.5	164	0	0	0	111.1	H1136 N1137 T1142 S1143 I1144	H1136-I1140 WeakPolarHBondContact O-CD1 3.4Å; H1136-I1140 VanDerWaalsContact O-CG1 3.26Å; H1136-I1140 WeakPolarHBondContact O-CG1 3.34Å; H1136-I1140 PolarHBondContact O-N 3.23Å; N1137-I1140 PolarHBondContact O-N 3.38Å; I1140-T1142 VanDerWaalsContact C-N 3.28Å; I1140-T1142 PolarHBondContact O-N 2.92Å; I1140-S1143 PolarHBondContact O-N 2.91Å; I1140-I1144 HydrophobicContact CG2-CD1 3.69Å; I1140-I1144 HydrophobicContact CG2-CG1 4.45Å; I1140-I1144 VanDerWaalsContact O-CG1 3.31Å; I1140-I1144 WeakPolarHBondContact O-CG1 3.31Å; I1140-I1144 PolarHBondContact O-N 2.66Å
1141	I	55.6	Low	54.7	Low	91 Å²	91	88.2 Å²	88.2	47%	0.467	45%	0.45	S	S	.	.	H	α-helix	trans	-62.2	-37.3	178.8	-70.1	164	0	0	0	111.3	N1137 L1138 K1145	N1137-I1141 WeakPolarHBondContact O-CB 3.46Å; N1137-I1141 WeakPolarHBondContact O-CD1 3.41Å; N1137-I1141 VanDerWaalsContact O-CG1 3.24Å; N1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; N1137-I1141 PolarHBondContact O-N 3.25Å; L1138-I1141 PolarHBondContact O-N 2.99Å; I1141-K1145 WeakPolarHBondContact O-CG 3.44Å; I1141-K1145 PolarHBondContact O-N 3.41Å
1142	T	55.7	Low	54.5	Low	80 Å²	80	95 Å²	95	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-69.9	-41	177.7	-52.1	0	0	0	0	111.2	L1138 L1139 I1140 K1145 S1146	L1138-T1142 WeakPolarHBondContact O-CB 3.32Å; L1138-T1142 PolarHBondContact O-N 3.41Å; L1138-T1142 PolarHBondContact O-OG1 3.35Å; L1139-T1142 PolarHBondContact O-N 2.9Å; I1140-T1142 VanDerWaalsContact C-N 3.28Å; I1140-T1142 PolarHBondContact O-N 2.92Å; T1142-K1145 PolarHBondContact O-N 3.44Å; T1142-S1146 PolarHBondContact O-N 3.04Å; T1142-S1146 PolarHBondContact O-OG 3.3Å
1143	S	54.4	Low	54.2	Low	41 Å²	41	91.1 Å²	91.1	29%	0.287	48%	0.479	S	S	.	.	H	α-helix	trans	-65.3	-39.3	175.3	179.4	0	0	0	0	113	L1139 I1140 S1146 T1147	L1139-S1143 WeakPolarHBondContact O-CB 3.34Å; L1139-S1143 PolarHBondContact O-N 3.46Å; I1140-S1143 PolarHBondContact O-N 2.91Å; S1143-S1146 PolarHBondContact O-N 3.4Å; S1143-S1146 PolarHBondContact O-OG 3.15Å; S1143-S1146 VanDerWaalsContact O-OG 3.1Å; S1143-T1147 PolarHBondContact O-N 3.33Å; S1143-T1147 PolarHBondContact O-OG1 2.84Å
1144	I	58.5	Low	54	Low	87 Å²	87	90.7 Å²	90.7	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-38.8	174.1	-68.3	167.3	0	0	0	110.8	I1140 T1147 Q1148	I1140-I1144 HydrophobicContact CG2-CD1 3.69Å; I1140-I1144 HydrophobicContact CG2-CG1 4.45Å; I1140-I1144 VanDerWaalsContact O-CG1 3.31Å; I1140-I1144 WeakPolarHBondContact O-CG1 3.31Å; I1140-I1144 PolarHBondContact O-N 2.66Å; I1144-T1147 WeakPolarHBondContact CA-OG1 3.3Å; I1144-T1147 PolarHBondContact O-OG1 3.1Å; I1144-T1147 VanDerWaalsContact O-OG1 3.07Å; I1144-Q1148 WeakPolarHBondContact O-CB 3.41Å; I1144-Q1148 WeakPolarHBondContact O-CG 3.36Å; I1144-Q1148 PolarHBondContact O-N 2.92Å
1145	K	56.9	Low	53.2	Low	131 Å²	131	98.3 Å²	98.3	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-68.1	-41.9	175.4	-78.8	-174.9	173.3	-172.7	0	113	I1141 T1142 Q1148 Q1149	I1141-K1145 WeakPolarHBondContact O-CG 3.44Å; I1141-K1145 PolarHBondContact O-N 3.41Å; T1142-K1145 PolarHBondContact O-N 3.44Å; K1145-Q1148 PolarHBondContact O-N 2.91Å; K1145-Q1149 WeakPolarHBondContact O-CG 3.29Å; K1145-Q1149 PolarHBondContact O-N 3.11Å
1146	S	54.1	Low	53.3	Low	58 Å²	58	99.4 Å²	99.4	41%	0.406	54%	0.536	S	S	.	.	H	α-helix	trans	-68.7	-34.7	178.2	62.3	0	0	0	0	112.5	T1142 S1143 N1150	T1142-S1146 PolarHBondContact O-N 3.04Å; T1142-S1146 PolarHBondContact O-OG 3.3Å; S1143-S1146 PolarHBondContact O-N 3.4Å; S1143-S1146 PolarHBondContact O-OG 3.15Å; S1143-S1146 VanDerWaalsContact O-OG 3.1Å; S1146-N1150 WeakPolarHBondContact O-CB 3.42Å; S1146-N1150 PolarHBondContact O-N 2.63Å
1147	T	56.8	Low	53.1	Low	77 Å²	77	99.8 Å²	99.8	47%	0.472	54%	0.542	S	S	.	.	H	α-helix	trans	-67.6	-44.5	170.7	41.4	0	0	0	0	112.1	S1143 I1144 Q1149 N1150 S1151	S1143-T1147 PolarHBondContact O-N 3.33Å; S1143-T1147 PolarHBondContact O-OG1 2.84Å; I1144-T1147 WeakPolarHBondContact CA-OG1 3.3Å; I1144-T1147 PolarHBondContact O-OG1 3.1Å; I1144-T1147 VanDerWaalsContact O-OG1 3.07Å; T1147-Q1149 PolarHBondContact O-N 3.15Å; T1147-N1150 PolarHBondContact O-N 3.48Å; T1147-S1151 WeakPolarHBondContact O-CB 3.48Å; T1147-S1151 PolarHBondContact O-N 3.32Å; T1147-S1151 PolarHBondContact O-OG 2.72Å; T1147-S1151 VanDerWaalsContact O-OG 3.08Å
1148	Q	54.9	Low	53.1	Low	122 Å²	122	101.1 Å²	101.1	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-61.2	-39.6	175	-79.1	-171.8	-19.9	0	0	113.4	I1144 K1145 S1151 Q1152	I1144-Q1148 WeakPolarHBondContact O-CB 3.41Å; I1144-Q1148 WeakPolarHBondContact O-CG 3.36Å; I1144-Q1148 PolarHBondContact O-N 2.92Å; K1145-Q1148 PolarHBondContact O-N 2.91Å; Q1148-S1151 PolarHBondContact O-N 3.32Å; Q1148-Q1152 WeakPolarHBondContact O-CG 3.25Å; Q1148-Q1152 PolarHBondContact O-N 2.83Å; Q1148-Q1152 VanDerWaalsContact O-N 3.13Å
1149	Q	53	Low	53.2	Low	134 Å²	134	103.9 Å²	103.9	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-66.6	-44.2	175.5	-72.6	-171.1	-75.3	0	0	111.9	K1145 T1147 S1151 Q1152 S1153	K1145-Q1149 WeakPolarHBondContact O-CG 3.29Å; K1145-Q1149 PolarHBondContact O-N 3.11Å; T1147-Q1149 PolarHBondContact O-N 3.15Å; Q1149-S1151 VanDerWaalsContact C-N 3.27Å; Q1149-S1151 PolarHBondContact O-N 3.23Å; Q1149-Q1152 PolarHBondContact O-N 3.35Å; Q1149-S1153 PolarHBondContact O-N 3.43Å
1150	N	53.7	Low	53.2	Low	112 Å²	112	104.3 Å²	104.3	60%	0.599	57%	0.568	S	S	*	*	H	α-helix	trans	-64.4	-29.3	174.7	-76.9	10.3	0	0	0	112.7	S1146 T1147 Q1152 S1153 V1154	S1146-N1150 WeakPolarHBondContact O-CB 3.42Å; S1146-N1150 PolarHBondContact O-N 2.63Å; T1147-N1150 PolarHBondContact O-N 3.48Å; N1150-Q1152 VanDerWaalsContact C-N 3.32Å; N1150-S1153 PolarHBondContact O-OG 3.38Å; N1150-V1154 VanDerWaalsContact O-CG2 3.27Å; N1150-V1154 WeakPolarHBondContact O-CG2 3.46Å
1151	S	52.9	Low	53	Low	77 Å²	77	105.5 Å²	105.5	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-75	-18.2	172.5	-61.7	0	0	0	0	114	T1147 Q1148 Q1149 N1155	T1147-S1151 WeakPolarHBondContact O-CB 3.48Å; T1147-S1151 PolarHBondContact O-N 3.32Å; T1147-S1151 PolarHBondContact O-OG 2.72Å; T1147-S1151 VanDerWaalsContact O-OG 3.08Å; Q1148-S1151 PolarHBondContact O-N 3.32Å; Q1149-S1151 VanDerWaalsContact C-N 3.27Å; Q1149-S1151 PolarHBondContact O-N 3.23Å; S1151-N1155 PolarHBondContact O-ND2 3.2Å
1152	Q	50.9	Low	52.8	Low	162 Å²	162	106.5 Å²	106.5	76%	0.757	58%	0.584	S	S	*	*	H	α-helix	trans	-94.5	-4.4	174.7	-74.4	-174.5	-23	0	0	113.6	Q1148 Q1149 N1150	Q1148-Q1152 WeakPolarHBondContact O-CG 3.25Å; Q1148-Q1152 PolarHBondContact O-N 2.83Å; Q1148-Q1152 VanDerWaalsContact O-N 3.13Å; Q1149-Q1152 PolarHBondContact O-N 3.35Å; N1150-Q1152 VanDerWaalsContact C-N 3.32Å
1153	S	50.7	Low	52.6	Low	84 Å²	84	108.5 Å²	108.5	59%	0.587	59%	0.591	S	S	*	*	S	Bend	trans	-109.1	15	174.2	66.8	0	0	0	0	113.5	Q1149 N1150	Q1149-S1153 PolarHBondContact O-N 3.43Å; N1150-S1153 PolarHBondContact O-OG 3.38Å
1154	V	48.6	Very low	52.4	Low	120 Å²	120	114.2 Å²	114.2	73%	0.727	62%	0.617	S	S	*	*			trans	-131.5	13	-177.9	-178.5	0	0	0	0	111.1	N1150	N1150-V1154 VanDerWaalsContact O-CG2 3.27Å; N1150-V1154 WeakPolarHBondContact O-CG2 3.46Å
1155	N	37.9	Very low	51.8	Low	206 Å²	206	116.6 Å²	116.6	100%	1.102	63%	0.632	S	S	*	*			trans	-125.8	0	160.9	-68.5	-72.6	0	0	0	108.4	S1151	S1151-N1155 PolarHBondContact O-ND2 3.2Å

Retrieved 1,155 of 1,155 residues in 990.7 ms (Link to these results)

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