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Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 1

GTPase-activating protein for ARF1 and, to a lesser extent, ARF5. Directly and specifically regulates the adapter protein 3 (AP-3)-dependent trafficking of proteins in the endosomal-lysosomal system.

AlphaFold DB , UniProt , Accession X5D293, Species HUMAN (Homo sapiens, Human), Gene AGAP1, Length 808 aa.

						>X5D293_HUMAN|X5D293|AGAP1
MNYQQQLANSAAIRAEIQRFESVHPNIYSIYELLERVEEPVLQNQIREHVIAIEDAFVNSQEWTLSRSVPELKVGIVGNLASGKSALVHRYLTGTYVQEESPEDMDAGGRFKKEIVVDGQSYLLLIRDEGGPPEAQFAMWVDAVIFVFSLEDEISFQTVYHYYSRMANYRNTSEIPLVLVGTQDAISSANPRVIDDARARKLSNDLKRCTYYETCATYGLNVERVFQDVAQKIVATRKKQQLSIGPCKSLPNSPSHSSVCSAQVSAVHISQTSNGGGSLSDYSSSVPSTPSTSQKELRIDVPPTANTPTPVRKQSKRRSNLFTSRKGSDPDKEKKGLESRADSIGSGRAIPIKQGMLLKRSGKSLNKEWKKKYVTLCDNGVLTYHPSLHDYMQNVHGKEIDLLRTTVKVPGKRPPRATSACAPISSPKTNGLSKDMSSLHISPNSDTGLGDSVCSSPSISSTTSPKLDPPPSPHANRKKHRRKKSTSNFKADGLSGTAEEQEENFEFIIVSLTGQTWHFEATTYEERDAWVQAIESQILASLQSCESSKNKSRLTSQSEAMALQSIRNMRGNSHCVDCETQNPNWASLNLGALMCIECSGIHRNLGTHLSRVRSLDLDDWPVELIKVMSSIGNELANSVWEESSQGRTKPSVDSTREEKERWIRAKYEQKLFLAPLPCTELSLGQHLLRATADEDLRTAILLLAHGSRDEVNETCGEGDGRTALHLACRKGNVVLAQLLIWYGVDVTARDAHGNTALAYARQASSQECIDVLLQYGCPDERFVLMATPNLSRRNNNRNNSSGRVPTII
					

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(Predicted Aligned Error values between residue pairs)

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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	44.5	Very low	67.7	Low	195 Å²	195	95.4 Å²	95.4	96%	0.961	49%	0.491	S	S	*	.				0	-74.3	0	-62.1	-172.2	-143.4	0	0	110.9	Y3 Q4 Q5	M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 2.71Å; M1-Q4 PolarHBondContact O-N 3.07Å; M1-Q5 PolarHBondContact O-N 3.35Å
2	N	57	Low	68.6	Low	123 Å²	123	89.8 Å²	89.8	66%	0.658	47%	0.47	S	S	*	.	H	α-helix	trans	-40.7	-49.6	-172.4	-68.9	26.4	0	0	0	115.9	Q4 Q5 Q6	N2-Q4 PolarHBondContact O-N 2.98Å; N2-Q5 CarbonylContact O-C 3.56Å; N2-Q5 WeakPolarHBondContact O-CA 3.47Å; N2-Q5 WeakPolarHBondContact O-CB 3.42Å; N2-Q5 PolarHBondContact O-N 3.45Å; N2-Q6 WeakPolarHBondContact O-CG 3.46Å; N2-Q6 PolarHBondContact O-N 3.02Å; N2-Q6 PolarHBondContact O-OE1 3.06Å
3	Y	60	Low	69.6	Low	166 Å²	166	82.9 Å²	82.9	65%	0.651	43%	0.434	S	S	*	.	H	α-helix	trans	-60.2	-40.9	-178.3	-173.8	-114.1	0	0	0	114.5	M1 Q5 Q6 L7	M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 2.71Å; Y3-Q5 VanDerWaalsContact C-N 3.31Å; Y3-Q5 PolarHBondContact O-N 3.36Å; Y3-Q6 VanDerWaalsContact CA-OE1 3.3Å; Y3-Q6 PolarHBondContact O-N 2.77Å; Y3-L7 HydrophobicContact CD1-CD1 4.09Å; Y3-L7 HydrophobicContact CE1-CD1 3.59Å; Y3-L7 HydrophobicContact CE1-CG 4.39Å; Y3-L7 HydrophobicContact CE2-CD1 4.47Å; Y3-L7 HydrophobicContact CE2-CG 4.44Å; Y3-L7 WeakPolarHBondContact O-CG 3.32Å; Y3-L7 PolarHBondContact O-N 3.02Å
4	Q	65.1	Low	70.6	Confident	148 Å²	148	86.8 Å²	86.8	69%	0.692	44%	0.44	S	S	*	.	H	α-helix	trans	-68.6	-33.3	175.1	-71	169.7	-65	0	0	111.6	M1 N2 A8	M1-Q4 PolarHBondContact O-N 3.07Å; N2-Q4 PolarHBondContact O-N 2.98Å; Q4-A8 WeakPolarHBondContact O-CB 3.37Å; Q4-A8 PolarHBondContact O-N 2.81Å
5	Q	65.9	Low	71.2	Confident	118 Å²	118	83.9 Å²	83.9	55%	0.551	44%	0.435	S	S	*	.	H	α-helix	trans	-73.3	-36.6	176.3	-166.2	170.9	5.8	0	0	112.1	M1 N2 Y3 A8 N9	M1-Q5 PolarHBondContact O-N 3.35Å; N2-Q5 CarbonylContact O-C 3.56Å; N2-Q5 WeakPolarHBondContact O-CA 3.47Å; N2-Q5 WeakPolarHBondContact O-CB 3.42Å; N2-Q5 PolarHBondContact O-N 3.45Å; Y3-Q5 VanDerWaalsContact C-N 3.31Å; Y3-Q5 PolarHBondContact O-N 3.36Å; Q5-A8 PolarHBondContact O-N 2.93Å; Q5-N9 WeakPolarHBondContact O-CB 3.46Å; Q5-N9 PolarHBondContact O-N 2.95Å; Q5-N9 PolarHBondContact O-OD1 3.36Å; Q5-N9 VanDerWaalsContact O-OD1 3.14Å
6	Q	68.9	Low	71.6	Confident	66 Å²	66	78.8 Å²	78.8	31%	0.308	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-46.3	171.5	-74.6	163.8	-52.5	0	0	111	N2 Y3 N9 S10 G119	N2-Q6 WeakPolarHBondContact O-CG 3.46Å; N2-Q6 PolarHBondContact O-N 3.02Å; N2-Q6 PolarHBondContact O-OE1 3.06Å; Y3-Q6 VanDerWaalsContact CA-OE1 3.3Å; Y3-Q6 PolarHBondContact O-N 2.77Å; Q6-N9 PolarHBondContact O-N 3.04Å; Q6-S10 WeakPolarHBondContact O-CB 3.42Å; Q6-S10 PolarHBondContact O-N 3.2Å; Q6-G119 PolarHBondContact NE2-O 2.94Å
7	L	71.4	Confident	72	Confident	87 Å²	87	75.4 Å²	75.4	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.4	-71.3	174.6	0	0	0	112.5	Y3 S10 A11	Y3-L7 HydrophobicContact CD1-CD1 4.09Å; Y3-L7 HydrophobicContact CE1-CD1 3.59Å; Y3-L7 HydrophobicContact CE1-CG 4.39Å; Y3-L7 HydrophobicContact CE2-CD1 4.47Å; Y3-L7 HydrophobicContact CE2-CG 4.44Å; Y3-L7 WeakPolarHBondContact O-CG 3.32Å; Y3-L7 PolarHBondContact O-N 3.02Å; L7-S10 PolarHBondContact O-N 3.32Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.46Å
8	A	72.4	Confident	72.5	Confident	55 Å²	55	79.1 Å²	79.1	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-43.6	176.3	0	0	0	0	0	112.1	Q4 Q5 A11 A12	Q4-A8 WeakPolarHBondContact O-CB 3.37Å; Q4-A8 PolarHBondContact O-N 2.81Å; Q5-A8 PolarHBondContact O-N 2.93Å; A8-A11 PolarHBondContact O-N 3.36Å; A8-A12 WeakPolarHBondContact O-CB 3.35Å; A8-A12 PolarHBondContact O-N 3.3Å
9	N	77.5	Confident	72.7	Confident	21 Å²	21	78.2 Å²	78.2	11%	0.112	40%	0.397	C	S	.	.	H	α-helix	trans	-62.9	-46.3	176.5	-72.4	12.6	0	0	0	111.3	Q5 Q6 A11 A12 I13	Q5-N9 WeakPolarHBondContact O-CB 3.46Å; Q5-N9 PolarHBondContact O-N 2.95Å; Q5-N9 PolarHBondContact O-OD1 3.36Å; Q5-N9 VanDerWaalsContact O-OD1 3.14Å; Q6-N9 PolarHBondContact O-N 3.04Å; N9-A11 VanDerWaalsContact C-N 3.31Å; N9-A11 PolarHBondContact O-N 3.1Å; N9-A12 PolarHBondContact O-N 3.01Å; N9-I13 WeakPolarHBondContact O-CB 3.37Å; N9-I13 WeakPolarHBondContact O-CD1 3.4Å; N9-I13 WeakPolarHBondContact O-CG1 3.46Å; N9-I13 PolarHBondContact O-N 3.24Å
10	S	81.4	Confident	72.9	Confident	15 Å²	15	74.7 Å²	74.7	11%	0.105	38%	0.378	C	S	.	.	H	α-helix	trans	-62.5	-35.6	176.4	177.3	0	0	0	0	112.8	Q6 L7 R14 E114	Q6-S10 WeakPolarHBondContact O-CB 3.42Å; Q6-S10 PolarHBondContact O-N 3.2Å; L7-S10 PolarHBondContact O-N 3.32Å; S10-R14 WeakPolarHBondContact O-CG 3.11Å; S10-R14 PolarHBondContact O-N 3.26Å; S10-R14 VanDerWaalsContact O-N 3.14Å; S10-R14 PolarHBondContact O-NE 3.34Å; S10-R14 PolarHBondContact OG-NE 3.49Å; S10-R14 PolarHBondContact OG-NH2 3.14Å; S10-E114 WeakPolarHBondContact CA-OE1 3.29Å; S10-E114 WeakPolarHBondContact CB-OE1 3.34Å; S10-E114 PolarHBondContact OG-OE1 2.87Å; S10-E114 PolarHBondContact OG-OE2 2.91Å
11	A	80.6	Confident	73.1	Confident	55 Å²	55	76.3 Å²	76.3	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-67.5	-43.4	173.7	0	0	0	0	0	111.9	L7 A8 N9 R14 A15	L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.46Å; A8-A11 PolarHBondContact O-N 3.36Å; N9-A11 VanDerWaalsContact C-N 3.31Å; N9-A11 PolarHBondContact O-N 3.1Å; A11-R14 PolarHBondContact O-N 2.78Å; A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 3.18Å
12	A	78.6	Confident	74.7	Confident	29 Å²	29	70.2 Å²	70.2	24%	0.24	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-41.2	176.7	0	0	0	0	0	112.5	A8 N9 A15 E16 V69	A8-A12 WeakPolarHBondContact O-CB 3.35Å; A8-A12 PolarHBondContact O-N 3.3Å; N9-A12 PolarHBondContact O-N 3.01Å; A12-A15 PolarHBondContact O-N 3.02Å; A12-E16 WeakPolarHBondContact O-CB 3.45Å; A12-E16 PolarHBondContact O-N 3.16Å; A12-V69 HydrophobicContact CB-CG2 3.95Å
13	I	81.2	Confident	75.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-47.2	176.3	-70.1	161.4	0	0	0	110.8	N9 E16 I17 V69 E114 L123	N9-I13 WeakPolarHBondContact O-CB 3.37Å; N9-I13 WeakPolarHBondContact O-CD1 3.4Å; N9-I13 WeakPolarHBondContact O-CG1 3.46Å; N9-I13 PolarHBondContact O-N 3.24Å; I13-E16 WeakPolarHBondContact O-CB 3.31Å; I13-E16 PolarHBondContact O-N 2.96Å; I13-I17 HydrophobicContact CG2-CD1 3.76Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.38Å; I13-V69 HydrophobicContact CD1-CG1 4.14Å; I13-V69 HydrophobicContact CG1-CG1 3.51Å; I13-E114 HydrophobicContact CG2-CB 3.7Å; I13-E114 HydrophobicContact CG2-CG 3.85Å; I13-L123 HydrophobicContact CG1-CB 4.31Å; I13-L123 HydrophobicContact CG2-CD1 4.22Å
14	R	83.6	Confident	76.3	Confident	137 Å²	137	60.2 Å²	60.2	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-68.5	-35.6	179.5	-74.1	177.1	-73.5	164.7	-7.3	113	S10 A11 E16 I17 Q18 E114	S10-R14 WeakPolarHBondContact O-CG 3.11Å; S10-R14 PolarHBondContact O-N 3.26Å; S10-R14 VanDerWaalsContact O-N 3.14Å; S10-R14 PolarHBondContact O-NE 3.34Å; S10-R14 PolarHBondContact OG-NE 3.49Å; S10-R14 PolarHBondContact OG-NH2 3.14Å; A11-R14 PolarHBondContact O-N 2.78Å; R14-E16 VanDerWaalsContact C-N 3.33Å; R14-I17 PolarHBondContact O-N 3.06Å; R14-Q18 WeakPolarHBondContact O-CB 3.48Å; R14-Q18 PolarHBondContact O-N 3.04Å; R14-E114 WeakPolarHBondContact CD-OE2 3.41Å; R14-E114 VanDerWaalsContact CG-OE2 3.28Å; R14-E114 WeakPolarHBondContact CG-OE2 3.42Å; R14-E114 IonicContact NE-OE2 2.79Å; R14-E114 PolarHBondContact NE-OE2 2.61Å
15	A	79.6	Confident	76.8	Confident	44 Å²	44	56.9 Å²	56.9	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-38.8	171.1	0	0	0	0	0	112.1	A11 A12 R19 L65	A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 3.18Å; A12-A15 PolarHBondContact O-N 3.02Å; A15-R19 WeakPolarHBondContact O-CB 3.2Å; A15-R19 PolarHBondContact O-N 3.29Å; A15-L65 HydrophobicContact CB-CD1 4.23Å
16	E	77.3	Confident	77.5	Confident	2 Å²	2	56 Å²	56	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-67.9	-40.1	176.1	175.1	53.2	-155.8	0	0	113	A12 I13 R14 R19 F20 T64 L65 K112 L123	A12-E16 WeakPolarHBondContact O-CB 3.45Å; A12-E16 PolarHBondContact O-N 3.16Å; I13-E16 WeakPolarHBondContact O-CB 3.31Å; I13-E16 PolarHBondContact O-N 2.96Å; R14-E16 VanDerWaalsContact C-N 3.33Å; E16-R19 VanDerWaalsContact CD-NH2 3.28Å; E16-R19 PolarHBondContact O-N 3.47Å; E16-R19 IonicContact OE1-CZ 3.75Å; E16-R19 IonicContact OE1-NE 3.1Å; E16-R19 IonicContact OE1-NH2 3.77Å; E16-R19 PolarHBondContact OE1-NH2 3.41Å; E16-R19 IonicContact OE2-CZ 2.78Å; E16-R19 IonicContact OE2-NE 3.5Å; E16-R19 PolarHBondContact OE2-NE 3.45Å; E16-R19 IonicContact OE2-NH2 3.93Å; E16-R19 PolarHBondContact OE2-NH2 3.46Å; E16-F20 WeakPolarHBondContact O-CB 3.42Å; E16-F20 PolarHBondContact O-N 3.32Å; E16-T64 HydrophobicContact CG-CG2 4.49Å; E16-L65 HydrophobicContact CB-CB 4.29Å; E16-L65 HydrophobicContact CB-CD1 4.22Å; E16-L65 PolarHBondContact OE2-N 3.25Å; E16-K112 IonicContact OE1-NZ 3.74Å; E16-K112 PolarHBondContact OE1-NZ 2.85Å; E16-L123 HydrophobicContact CG-CD2 3.93Å
17	I	79.3	Confident	78	Confident	20 Å²	20	53.7 Å²	53.7	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-51.3	174.9	-67.4	161.9	0	0	0	109.9	I13 R14 R19 F20 E21 K112 E114 L123	I13-I17 HydrophobicContact CG2-CD1 3.76Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.38Å; R14-I17 PolarHBondContact O-N 3.06Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3.03Å; I17-F20 WeakPolarHBondContact O-CB 3.46Å; I17-F20 PolarHBondContact O-N 2.98Å; I17-E21 HydrophobicContact CG2-CG 4.26Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.29Å; I17-E21 WeakPolarHBondContact O-CG 3.35Å; I17-E21 PolarHBondContact O-N 3.24Å; I17-K112 HydrophobicContact CG1-CB 4.12Å; I17-E114 HydrophobicContact CD1-CB 4.13Å; I17-L123 HydrophobicContact CD1-CD1 4.45Å; I17-L123 HydrophobicContact CG1-CD1 4.12Å
18	Q	80.3	Confident	78.2	Confident	142 Å²	142	55 Å²	55	66%	0.664	30%	0.299	S	S	*	.	H	α-helix	trans	-59.1	-39.3	177.7	-173.3	-178.7	12.3	0	0	112.1	R14 S22	R14-Q18 WeakPolarHBondContact O-CB 3.48Å; R14-Q18 PolarHBondContact O-N 3.04Å; Q18-S22 VanDerWaalsContact O-CB 3.27Å; Q18-S22 WeakPolarHBondContact O-CB 3.36Å; Q18-S22 PolarHBondContact O-N 3.18Å; Q18-S22 PolarHBondContact O-OG 3.45Å
19	R	77.1	Confident	78.7	Confident	63 Å²	63	55.2 Å²	55.2	24%	0.238	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-41.5	175.7	-171.8	-169.4	72.5	72.7	12.5	111.5	A15 E16 I17 S22 W63	A15-R19 WeakPolarHBondContact O-CB 3.2Å; A15-R19 PolarHBondContact O-N 3.29Å; E16-R19 VanDerWaalsContact CD-NH2 3.28Å; E16-R19 PolarHBondContact O-N 3.47Å; E16-R19 IonicContact OE1-CZ 3.75Å; E16-R19 IonicContact OE1-NE 3.1Å; E16-R19 IonicContact OE1-NH2 3.77Å; E16-R19 PolarHBondContact OE1-NH2 3.41Å; E16-R19 IonicContact OE2-CZ 2.78Å; E16-R19 IonicContact OE2-NE 3.5Å; E16-R19 PolarHBondContact OE2-NE 3.45Å; E16-R19 IonicContact OE2-NH2 3.93Å; E16-R19 PolarHBondContact OE2-NH2 3.46Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3.03Å; R19-S22 PolarHBondContact O-OG 3.36Å; R19-W63 PolarHBondContact NH2-O 3.48Å
20	F	76.6	Confident	79	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-53.7	176.3	-176.6	-104.5	0	0	0	112	E16 I17 S22 V23 H24 F57 V58 K112	E16-F20 WeakPolarHBondContact O-CB 3.42Å; E16-F20 PolarHBondContact O-N 3.32Å; I17-F20 WeakPolarHBondContact O-CB 3.46Å; I17-F20 PolarHBondContact O-N 2.98Å; F20-S22 PolarHBondContact O-N 3.26Å; F20-V23 PolarHBondContact O-N 3.49Å; F20-V23 VanDerWaalsContact O-N 3.12Å; F20-H24 AromaticContact CE1-NE2 3.48Å; F20-H24 WeakPolarHBondContact CE1-NE2 3.02Å; F20-H24 AromaticContact CZ-NE2 3.71Å; F20-F57 HydrophobicContact CD2-CD1 4.33Å; F20-F57 AromaticContact CD2-CE1 3.49Å; F20-F57 HydrophobicContact CD2-CE1 3.49Å; F20-F57 VanDerWaalsContact CD2-CE1 3.49Å; F20-F57 HydrophobicContact CD2-CZ 4.04Å; F20-F57 HydrophobicContact CE2-CD1 4.25Å; F20-F57 AromaticContact CE2-CE1 3.81Å; F20-F57 HydrophobicContact CE2-CE1 3.81Å; F20-F57 HydrophobicContact CG-CE1 4.43Å; F20-V58 HydrophobicContact CE2-CB 4.34Å; F20-V58 HydrophobicContact CE2-CG1 3.99Å; F20-V58 HydrophobicContact CE2-CG2 3.87Å; F20-V58 HydrophobicContact CZ-CG1 4.01Å; F20-V58 HydrophobicContact CZ-CG2 4.12Å; F20-K112 HydrophobicContact CB-CD 3.88Å; F20-K112 HydrophobicContact CD1-CB 4.29Å; F20-K112 HydrophobicContact CD1-CD 3.96Å; F20-K112 HydrophobicContact CD1-CG 3.95Å; F20-K112 HydrophobicContact CD2-CD 3.86Å; F20-K112 VanDerWaalsContact CD2-CE 3.41Å; F20-K112 HydrophobicContact CD2-CG 4.49Å; F20-K112 HydrophobicContact CE1-CD 4.45Å; F20-K112 HydrophobicContact CE1-CG 4.1Å; F20-K112 HydrophobicContact CE2-CD 4.32Å; F20-K112 HydrophobicContact CG-CD 3.63Å; F20-K112 HydrophobicContact CG-CG 4.16Å; F20-K112 HydrophobicContact CZ-CG 4.42Å
21	E	76.6	Confident	79.1	Confident	110 Å²	110	58 Å²	58	51%	0.514	31%	0.309	S	S	.	.	H	α-helix	trans	-58	-34.6	178.9	-69.5	171.6	166.2	0	0	112.5	I17 V23 H24 P25	I17-E21 HydrophobicContact CG2-CG 4.26Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.29Å; I17-E21 WeakPolarHBondContact O-CG 3.35Å; I17-E21 PolarHBondContact O-N 3.24Å; E21-V23 PolarHBondContact O-N 3.41Å; E21-V23 VanDerWaalsContact O-N 3.15Å; E21-H24 PolarHBondContact O-N 3.1Å; E21-P25 WeakPolarHBondContact O-CD 3.33Å
22	S	78.3	Confident	79.2	Confident	67 Å²	67	60.4 Å²	60.4	47%	0.469	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.4	179.1	74.2	0	0	0	0	115.2	Q18 R19 F20 N26	Q18-S22 VanDerWaalsContact O-CB 3.27Å; Q18-S22 WeakPolarHBondContact O-CB 3.36Å; Q18-S22 PolarHBondContact O-N 3.18Å; Q18-S22 PolarHBondContact O-OG 3.45Å; R19-S22 PolarHBondContact O-OG 3.36Å; F20-S22 PolarHBondContact O-N 3.26Å; S22-N26 PolarHBondContact O-ND2 3.39Å
23	V	74.8	Confident	79.6	Confident	41 Å²	41	63.9 Å²	63.9	25%	0.248	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-37.5	-179.5	179.4	0	0	0	0	111.9	F20 E21 N26 I27 F57	F20-V23 PolarHBondContact O-N 3.49Å; F20-V23 VanDerWaalsContact O-N 3.12Å; E21-V23 PolarHBondContact O-N 3.41Å; E21-V23 VanDerWaalsContact O-N 3.15Å; V23-N26 WeakPolarHBondContact O-CA 3.38Å; V23-N26 WeakPolarHBondContact O-CB 3.48Å; V23-N26 PolarHBondContact O-N 3.11Å; V23-I27 HydrophobicContact CG1-CD1 3.82Å; V23-I27 HydrophobicContact CG1-CG1 4.06Å; V23-I27 PolarHBondContact O-N 3.42Å; V23-F57 HydrophobicContact CB-CE1 4.01Å; V23-F57 HydrophobicContact CB-CZ 3.91Å; V23-F57 HydrophobicContact CG1-CE1 4.2Å; V23-F57 HydrophobicContact CG1-CZ 4.29Å; V23-F57 HydrophobicContact CG2-CE1 4.12Å; V23-F57 HydrophobicContact CG2-CE2 3.94Å; V23-F57 HydrophobicContact CG2-CZ 3.48Å; V23-F57 VanDerWaalsContact CG2-CZ 3.48Å
24	H	75.1	Confident	79.8	Confident	37 Å²	37	64.2 Å²	64.2	17%	0.171	33%	0.326	C	S	.	.	H	α-helix	trans	-54.2	-44.1	-175.8	-71.7	-79	0	0	0	114.7	F20 E21 N26 I27 Y28 E54	F20-H24 AromaticContact CE1-NE2 3.48Å; F20-H24 WeakPolarHBondContact CE1-NE2 3.02Å; F20-H24 AromaticContact CZ-NE2 3.71Å; E21-H24 PolarHBondContact O-N 3.1Å; H24-N26 PolarHBondContact O-N 2.96Å; H24-N26 VanDerWaalsContact O-N 3.12Å; H24-I27 PolarHBondContact O-N 2.95Å; H24-Y28 HydrophobicContact CB-CD2 4.31Å; H24-Y28 HydrophobicContact CB-CE2 3.86Å; H24-Y28 WeakPolarHBondContact O-CD2 3.11Å; H24-Y28 PolarHBondContact O-N 3.3Å; H24-E54 IonicContact CE1-OE1 4Å; H24-E54 IonicContact ND1-OE1 2.67Å
25	P	77.2	Confident	79.9	Confident	78 Å²	78	64.5 Å²	64.5	51%	0.506	33%	0.333	S	S	.	.	H	α-helix	trans	-57.4	-29.5	175.5	-26.9	35.8	0	0	0	114.2	E21 S29	E21-P25 WeakPolarHBondContact O-CD 3.33Å; P25-S29 WeakPolarHBondContact O-CB 3.22Å; P25-S29 PolarHBondContact O-N 3.47Å; P25-S29 VanDerWaalsContact O-N 3.11Å; P25-S29 PolarHBondContact O-OG 3.23Å
26	N	79.7	Confident	80.3	Confident	101 Å²	101	70 Å²	70	54%	0.54	34%	0.344	S	S	.	.	H	α-helix	trans	-79.2	-34.5	176.6	-59.7	-84.2	0	0	0	111.4	S22 V23 H24 S29 I30	S22-N26 PolarHBondContact O-ND2 3.39Å; V23-N26 WeakPolarHBondContact O-CA 3.38Å; V23-N26 WeakPolarHBondContact O-CB 3.48Å; V23-N26 PolarHBondContact O-N 3.11Å; H24-N26 PolarHBondContact O-N 2.96Å; H24-N26 VanDerWaalsContact O-N 3.12Å; N26-S29 PolarHBondContact O-N 2.96Å; N26-I30 WeakPolarHBondContact O-CD1 3.43Å; N26-I30 VanDerWaalsContact O-CG1 3.3Å; N26-I30 WeakPolarHBondContact O-CG1 3.44Å; N26-I30 PolarHBondContact O-N 3.07Å; N26-I30 VanDerWaalsContact O-N 3.1Å
27	I	79.6	Confident	81	Confident	16 Å²	16	71.7 Å²	71.7	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-48.7	173.3	-66	176.8	0	0	0	110.4	V23 H24 S29 I30 Y31 V50 E54	V23-I27 HydrophobicContact CG1-CD1 3.82Å; V23-I27 HydrophobicContact CG1-CG1 4.06Å; V23-I27 PolarHBondContact O-N 3.42Å; H24-I27 PolarHBondContact O-N 2.95Å; I27-S29 VanDerWaalsContact C-N 3.29Å; I27-S29 PolarHBondContact O-N 2.9Å; I27-I30 WeakPolarHBondContact O-CA 3.26Å; I27-I30 WeakPolarHBondContact O-CB 3.5Å; I27-I30 PolarHBondContact O-N 3.33Å; I27-Y31 HydrophobicContact CG2-CD2 3.94Å; I27-Y31 HydrophobicContact CG2-CE2 3.44Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.44Å; I27-Y31 PolarHBondContact O-N 2.94Å; I27-V50 HydrophobicContact CG2-CG1 4.36Å; I27-E54 HydrophobicContact CD1-CB 4.24Å; I27-E54 HydrophobicContact CD1-CG 4.05Å
28	Y	76.8	Confident	81.5	Confident	115 Å²	115	80.1 Å²	80.1	45%	0.451	39%	0.394	S	S	.	.	H	α-helix	trans	-59.3	-39.6	174.4	-62.8	-53.4	0	0	0	112.2	H24 I30 Y31 E32 E103	H24-Y28 HydrophobicContact CB-CD2 4.31Å; H24-Y28 HydrophobicContact CB-CE2 3.86Å; H24-Y28 WeakPolarHBondContact O-CD2 3.11Å; H24-Y28 PolarHBondContact O-N 3.3Å; Y28-I30 PolarHBondContact O-N 3.18Å; Y28-Y31 PolarHBondContact O-N 3.44Å; Y28-Y31 VanDerWaalsContact O-N 3.16Å; Y28-E32 PolarHBondContact O-N 2.83Å; Y28-E103 VanDerWaalsContact CE1-OE2 3.23Å; Y28-E103 WeakPolarHBondContact CE1-OE2 2.95Å
29	S	82.1	Confident	82.2	Confident	60 Å²	60	78.8 Å²	78.8	42%	0.42	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-29.2	172.9	-61.7	0	0	0	0	113.1	P25 N26 I27 L33	P25-S29 WeakPolarHBondContact O-CB 3.22Å; P25-S29 PolarHBondContact O-N 3.47Å; P25-S29 VanDerWaalsContact O-N 3.11Å; P25-S29 PolarHBondContact O-OG 3.23Å; N26-S29 PolarHBondContact O-N 2.96Å; I27-S29 VanDerWaalsContact C-N 3.29Å; I27-S29 PolarHBondContact O-N 2.9Å; S29-L33 WeakPolarHBondContact O-CD1 3.48Å; S29-L33 VanDerWaalsContact O-CG 3.23Å; S29-L33 WeakPolarHBondContact O-CG 3.33Å; S29-L33 PolarHBondContact O-N 3.47Å
30	I	84.3	Confident	82.7	Confident	72 Å²	72	79.6 Å²	79.6	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-76.4	-40.3	174.4	-67.5	161.1	0	0	0	110.6	N26 I27 Y28 L33 L34 V50	N26-I30 WeakPolarHBondContact O-CD1 3.43Å; N26-I30 VanDerWaalsContact O-CG1 3.3Å; N26-I30 WeakPolarHBondContact O-CG1 3.44Å; N26-I30 PolarHBondContact O-N 3.07Å; N26-I30 VanDerWaalsContact O-N 3.1Å; I27-I30 WeakPolarHBondContact O-CA 3.26Å; I27-I30 WeakPolarHBondContact O-CB 3.5Å; I27-I30 PolarHBondContact O-N 3.33Å; Y28-I30 PolarHBondContact O-N 3.18Å; I30-L33 CarbonylContact O-C 3.52Å; I30-L33 PolarHBondContact O-N 2.91Å; I30-L33 VanDerWaalsContact O-N 3.14Å; I30-L34 HydrophobicContact CG2-CD1 4.17Å; I30-L34 HydrophobicContact CG2-CG 4.45Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 3.33Å; I30-V50 HydrophobicContact CG2-CG1 4.33Å; I30-V50 HydrophobicContact CG2-CG2 3.6Å
31	Y	82.5	Confident	83.4	Confident	23 Å²	23	83.2 Å²	83.2	9%	0.09	42%	0.424	C	S	.	.	H	α-helix	trans	-63	-42.6	173.8	-67.8	-52.6	0	0	0	112	I27 Y28 L33 L34 E35 R47 V50 E54	I27-Y31 HydrophobicContact CG2-CD2 3.94Å; I27-Y31 HydrophobicContact CG2-CE2 3.44Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.44Å; I27-Y31 PolarHBondContact O-N 2.94Å; Y28-Y31 PolarHBondContact O-N 3.44Å; Y28-Y31 VanDerWaalsContact O-N 3.16Å; Y31-L33 PolarHBondContact O-N 2.97Å; Y31-L34 HydrophobicContact CD1-CD1 3.96Å; Y31-L34 HydrophobicContact CE1-CD1 4.45Å; Y31-L34 WeakPolarHBondContact O-CB 3.03Å; Y31-L34 PolarHBondContact O-N 3.1Å; Y31-E35 PolarHBondContact O-N 3.32Å; Y31-R47 HydrophobicContact CE1-CG 4.24Å; Y31-V50 HydrophobicContact CD1-CG1 4.46Å; Y31-V50 HydrophobicContact CE1-CB 4.21Å; Y31-V50 HydrophobicContact CE1-CG1 3.71Å; Y31-V50 HydrophobicContact CE2-CG1 4.38Å; Y31-E54 PolarHBondContact OH-OE2 2.95Å
32	E	83	Confident	84	Confident	105 Å²	105	81.2 Å²	81.2	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-56.1	-33.9	170.4	-92.1	-160.5	-140.8	0	0	113.8	Y28 R36	Y28-E32 PolarHBondContact O-N 2.83Å; E32-R36 PolarHBondContact O-NE 2.74Å; E32-R36 IonicContact OE2-CZ 3.16Å; E32-R36 IonicContact OE2-NH1 2.71Å; E32-R36 IonicContact OE2-NH2 3.58Å; E32-R36 PolarHBondContact OE2-NH2 2.93Å
33	L	86.6	Confident	84.5	Confident	101 Å²	101	80 Å²	80	53%	0.529	40%	0.403	S	S	.	.	H	α-helix	trans	-80.3	-29.5	177	-73	168.1	0	0	0	111.8	S29 I30 Y31 R36	S29-L33 WeakPolarHBondContact O-CD1 3.48Å; S29-L33 VanDerWaalsContact O-CG 3.23Å; S29-L33 WeakPolarHBondContact O-CG 3.33Å; S29-L33 PolarHBondContact O-N 3.47Å; I30-L33 CarbonylContact O-C 3.52Å; I30-L33 PolarHBondContact O-N 2.91Å; I30-L33 VanDerWaalsContact O-N 3.14Å; Y31-L33 PolarHBondContact O-N 2.97Å; L33-R36 PolarHBondContact O-N 3.04Å
34	L	86.5	Confident	84.9	Confident	7 Å²	7	82.3 Å²	82.3	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-69	-36	174.3	-76.1	169.6	0	0	0	112.5	I30 Y31 R36 V37 Q43 I46 R47 V50	I30-L34 HydrophobicContact CG2-CD1 4.17Å; I30-L34 HydrophobicContact CG2-CG 4.45Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 3.33Å; Y31-L34 HydrophobicContact CD1-CD1 3.96Å; Y31-L34 HydrophobicContact CE1-CD1 4.45Å; Y31-L34 WeakPolarHBondContact O-CB 3.03Å; Y31-L34 PolarHBondContact O-N 3.1Å; L34-R36 PolarHBondContact O-N 3.21Å; L34-R36 VanDerWaalsContact O-N 3.12Å; L34-V37 HydrophobicContact CD2-CG2 4.43Å; L34-V37 WeakPolarHBondContact O-CB 3.3Å; L34-V37 PolarHBondContact O-N 3.47Å; L34-Q43 PolarHBondContact O-NE2 2.83Å; L34-I46 HydrophobicContact CD1-CG2 4.44Å; L34-I46 HydrophobicContact CD2-CB 3.59Å; L34-I46 HydrophobicContact CD2-CD1 4.28Å; L34-I46 HydrophobicContact CD2-CG2 3.61Å; L34-R47 HydrophobicContact CD1-CB 4.36Å; L34-V50 HydrophobicContact CD1-CG2 4.18Å
35	E	85.4	Confident	85.6	Confident	143 Å²	143	85.4 Å²	85.4	67%	0.668	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.9	172.8	-67.9	-171.3	160.6	0	0	113.3	Y31	Y31-E35 PolarHBondContact O-N 3.32Å
36	R	88.4	Confident	86	Confident	160 Å²	160	84.7 Å²	84.7	60%	0.604	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	4.4	176.4	-58.5	172	-170.5	136.9	14.7	113.1	E32 L33 L34	E32-R36 PolarHBondContact O-NE 2.74Å; E32-R36 IonicContact OE2-CZ 3.16Å; E32-R36 IonicContact OE2-NH1 2.71Å; E32-R36 IonicContact OE2-NH2 3.58Å; E32-R36 PolarHBondContact OE2-NH2 2.93Å; L33-R36 PolarHBondContact O-N 3.04Å; L34-R36 PolarHBondContact O-N 3.21Å; L34-R36 VanDerWaalsContact O-N 3.12Å
37	V	90.8	Very high	86.2	Confident	38 Å²	38	83.6 Å²	83.6	23%	0.23	41%	0.408	C	S	.	.			trans	-89.4	112.2	174.4	179.4	0	0	0	0	109.7	L34 E39 L42 Q43	L34-V37 HydrophobicContact CD2-CG2 4.43Å; L34-V37 WeakPolarHBondContact O-CB 3.3Å; L34-V37 PolarHBondContact O-N 3.47Å; V37-E39 VanDerWaalsContact C-N 3.3Å; V37-E39 PolarHBondContact O-N 2.9Å; V37-L42 HydrophobicContact CG1-CB 4.49Å; V37-L42 HydrophobicContact CG1-CD2 4.38Å; V37-L42 HydrophobicContact CG1-CG 4.45Å; V37-Q43 HydrophobicContact CB-CB 4.18Å; V37-Q43 HydrophobicContact CG1-CB 4.11Å; V37-Q43 PolarHBondContact O-NE2 3.22Å
38	E	90	Very high	86.3	Confident	197 Å²	197	89.1 Å²	89.1	92%	0.921	43%	0.434	S	S	*	.	S	Bend	trans	-70.1	-20.9	-177.1	-61.4	-178.1	171.9	0	0	114.1	P40	E38-P40 WeakPolarHBondContact O-CD 3.38Å
39	E	94.4	Very high	86.7	Confident	113 Å²	113	89.5 Å²	89.5	53%	0.528	44%	0.439	S	S	.	.			trans	-91.7	109.8	179.7	-177.5	175.8	-169.1	0	0	111.2	V37 V41 L42 Q43	V37-E39 VanDerWaalsContact C-N 3.3Å; V37-E39 PolarHBondContact O-N 2.9Å; E39-V41 VanDerWaalsContact C-N 3.32Å; E39-V41 PolarHBondContact O-N 3.34Å; E39-L42 HydrophobicContact CB-CB 4.12Å; E39-L42 HydrophobicContact CG-CB 4Å; E39-L42 PolarHBondContact O-N 3.41Å; E39-Q43 WeakPolarHBondContact O-CB 3.39Å; E39-Q43 PolarHBondContact O-N 3.49Å
40	P	87.1	Confident	86.8	Confident	80 Å²	80	87.4 Å²	87.4	52%	0.519	42%	0.424	S	S	.	.	H	α-helix	trans	-69.2	-27	-171.7	26.9	-35.3	0	0	0	113.5	E38 N44	E38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-N44 WeakPolarHBondContact O-CB 3.35Å; P40-N44 VanDerWaalsContact O-CG 3.26Å; P40-N44 PolarHBondContact O-N 3.09Å; P40-N44 PolarHBondContact O-ND2 3.35Å
41	V	92.1	Very high	86.4	Confident	84 Å²	84	87.5 Å²	87.5	51%	0.509	42%	0.424	S	S	.	.	H	α-helix	trans	-69.2	-46.6	176.9	-179.2	0	0	0	0	110.3	E39 N44 Q45	E39-V41 VanDerWaalsContact C-N 3.32Å; E39-V41 PolarHBondContact O-N 3.34Å; V41-N44 PolarHBondContact O-N 3.01Å; V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 3.35Å
42	L	89.8	Confident	86.2	Confident	68 Å²	68	89 Å²	89	36%	0.356	44%	0.442	S	S	.	.	H	α-helix	trans	-67.6	-41.8	176.5	-177.8	61.4	0	0	0	111.6	V37 E39 N44 Q45 I46	V37-L42 HydrophobicContact CG1-CB 4.49Å; V37-L42 HydrophobicContact CG1-CD2 4.38Å; V37-L42 HydrophobicContact CG1-CG 4.45Å; E39-L42 HydrophobicContact CB-CB 4.12Å; E39-L42 HydrophobicContact CG-CB 4Å; E39-L42 PolarHBondContact O-N 3.41Å; L42-N44 VanDerWaalsContact C-N 3.33Å; L42-N44 PolarHBondContact O-N 2.77Å; L42-Q45 PolarHBondContact O-N 3.4Å; L42-I46 HydrophobicContact CD1-CD1 3.85Å; L42-I46 HydrophobicContact CD1-CG1 4.12Å; L42-I46 HydrophobicContact CG-CD1 3.84Å; L42-I46 HydrophobicContact CG-CG1 4.48Å; L42-I46 VanDerWaalsContact O-CG1 3.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.35Å; L42-I46 PolarHBondContact O-N 2.67Å
43	Q	87.7	Confident	85.9	Confident	42 Å²	42	89.8 Å²	89.8	20%	0.196	45%	0.448	C	S	.	.	H	α-helix	trans	-55.2	-47	174.1	-177.7	-178.4	71	0	0	111.5	L34 V37 E39 R47	L34-Q43 PolarHBondContact O-NE2 2.83Å; V37-Q43 HydrophobicContact CB-CB 4.18Å; V37-Q43 HydrophobicContact CG1-CB 4.11Å; V37-Q43 PolarHBondContact O-NE2 3.22Å; E39-Q43 WeakPolarHBondContact O-CB 3.39Å; E39-Q43 PolarHBondContact O-N 3.49Å; Q43-R47 VanDerWaalsContact O-CB 3.29Å; Q43-R47 WeakPolarHBondContact O-CB 3.48Å; Q43-R47 PolarHBondContact O-N 3.18Å
44	N	83.9	Confident	85.2	Confident	89 Å²	89	87.1 Å²	87.1	48%	0.476	43%	0.433	S	S	.	.	H	α-helix	trans	-68.5	-42.6	178.3	-74.2	-17.4	0	0	0	112.7	P40 V41 L42 I46 R47 E48	P40-N44 WeakPolarHBondContact O-CB 3.35Å; P40-N44 VanDerWaalsContact O-CG 3.26Å; P40-N44 PolarHBondContact O-N 3.09Å; P40-N44 PolarHBondContact O-ND2 3.35Å; V41-N44 PolarHBondContact O-N 3.01Å; L42-N44 VanDerWaalsContact C-N 3.33Å; L42-N44 PolarHBondContact O-N 2.77Å; N44-I46 PolarHBondContact O-N 3.2Å; N44-R47 WeakPolarHBondContact O-CB 3.46Å; N44-R47 PolarHBondContact O-N 2.72Å; N44-E48 WeakPolarHBondContact O-CG 3.3Å; N44-E48 PolarHBondContact O-N 2.92Å
45	Q	88.8	Confident	84.3	Confident	102 Å²	102	89.8 Å²	89.8	48%	0.477	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-41.8	176.7	-74.8	173.8	3.1	0	0	112.4	V41 L42 H49	V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 3.35Å; L42-Q45 PolarHBondContact O-N 3.4Å; Q45-H49 PolarHBondContact O-CD2 2.77Å; Q45-H49 VanDerWaalsContact O-CD2 3.27Å; Q45-H49 PolarHBondContact O-N 3.17Å; Q45-H49 VanDerWaalsContact O-N 3.1Å
46	I	85.9	Confident	83.5	Confident	63 Å²	63	85.8 Å²	85.8	32%	0.323	44%	0.438	S	S	.	.	H	α-helix	trans	-72.8	-35.5	176.4	-54.2	164	0	0	0	110.4	L34 L42 N44 H49 V50	L34-I46 HydrophobicContact CD1-CG2 4.44Å; L34-I46 HydrophobicContact CD2-CB 3.59Å; L34-I46 HydrophobicContact CD2-CD1 4.28Å; L34-I46 HydrophobicContact CD2-CG2 3.61Å; L42-I46 HydrophobicContact CD1-CD1 3.85Å; L42-I46 HydrophobicContact CD1-CG1 4.12Å; L42-I46 HydrophobicContact CG-CD1 3.84Å; L42-I46 HydrophobicContact CG-CG1 4.48Å; L42-I46 VanDerWaalsContact O-CG1 3.32Å; L42-I46 WeakPolarHBondContact O-CG1 3.35Å; L42-I46 PolarHBondContact O-N 2.67Å; N44-I46 PolarHBondContact O-N 3.2Å; I46-H49 PolarHBondContact O-N 3.46Å; I46-V50 HydrophobicContact CG2-CG2 4.27Å; I46-V50 VanDerWaalsContact O-CG2 3.32Å; I46-V50 WeakPolarHBondContact O-CG2 3.32Å; I46-V50 PolarHBondContact O-N 3.42Å
47	R	84.4	Confident	82.6	Confident	77 Å²	77	79.1 Å²	79.1	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-58.9	-46.3	172.7	-173.7	-178.5	-72.1	-88.8	5.1	111.4	Y31 L34 Q43 N44 H49 V50 I51	Y31-R47 HydrophobicContact CE1-CG 4.24Å; L34-R47 HydrophobicContact CD1-CB 4.36Å; Q43-R47 VanDerWaalsContact O-CB 3.29Å; Q43-R47 WeakPolarHBondContact O-CB 3.48Å; Q43-R47 PolarHBondContact O-N 3.18Å; N44-R47 WeakPolarHBondContact O-CB 3.46Å; N44-R47 PolarHBondContact O-N 2.72Å; R47-H49 VanDerWaalsContact C-N 3.33Å; R47-H49 PolarHBondContact O-N 2.87Å; R47-V50 PolarHBondContact O-N 3.31Å; R47-I51 HydrophobicContact CG-CD1 4.02Å; R47-I51 VanDerWaalsContact O-CG1 3.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.4Å; R47-I51 PolarHBondContact O-N 2.76Å
48	E	82.6	Confident	81.3	Confident	133 Å²	133	78.7 Å²	78.7	62%	0.621	41%	0.411	S	S	*	.	H	α-helix	trans	-58.3	-42.5	173.1	-74.4	-179.1	170.6	0	0	112.1	N44 A52	N44-E48 WeakPolarHBondContact O-CG 3.3Å; N44-E48 PolarHBondContact O-N 2.92Å; E48-A52 WeakPolarHBondContact O-CB 3.5Å; E48-A52 PolarHBondContact O-N 3.39Å
49	H	84.1	Confident	79.7	Confident	123 Å²	123	72.7 Å²	72.7	57%	0.569	39%	0.385	S	S	*	.	H	α-helix	trans	-67.5	-36.1	176.3	-72.6	-36.9	0	0	0	113.5	Q45 I46 R47 A52 I53	Q45-H49 PolarHBondContact O-CD2 2.77Å; Q45-H49 VanDerWaalsContact O-CD2 3.27Å; Q45-H49 PolarHBondContact O-N 3.17Å; Q45-H49 VanDerWaalsContact O-N 3.1Å; I46-H49 PolarHBondContact O-N 3.46Å; R47-H49 VanDerWaalsContact C-N 3.33Å; R47-H49 PolarHBondContact O-N 2.87Å; H49-A52 PolarHBondContact O-N 2.94Å; H49-I53 WeakPolarHBondContact O-CB 3.18Å; H49-I53 WeakPolarHBondContact O-CD1 3.37Å; H49-I53 VanDerWaalsContact O-CG1 3.23Å; H49-I53 WeakPolarHBondContact O-CG1 3.33Å; H49-I53 PolarHBondContact O-N 3.27Å
50	V	83.9	Confident	78	Confident	15 Å²	15	68.8 Å²	68.8	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-68	-45.2	175.4	173.8	0	0	0	0	110.5	I27 I30 Y31 L34 I46 R47 A52 I53 E54	I27-V50 HydrophobicContact CG2-CG1 4.36Å; I30-V50 HydrophobicContact CG2-CG1 4.33Å; I30-V50 HydrophobicContact CG2-CG2 3.6Å; Y31-V50 HydrophobicContact CD1-CG1 4.46Å; Y31-V50 HydrophobicContact CE1-CB 4.21Å; Y31-V50 HydrophobicContact CE1-CG1 3.71Å; Y31-V50 HydrophobicContact CE2-CG1 4.38Å; L34-V50 HydrophobicContact CD1-CG2 4.18Å; I46-V50 HydrophobicContact CG2-CG2 4.27Å; I46-V50 VanDerWaalsContact O-CG2 3.32Å; I46-V50 WeakPolarHBondContact O-CG2 3.32Å; I46-V50 PolarHBondContact O-N 3.42Å; R47-V50 PolarHBondContact O-N 3.31Å; V50-A52 VanDerWaalsContact C-N 3.32Å; V50-A52 PolarHBondContact O-N 2.93Å; V50-I53 PolarHBondContact O-N 2.89Å; V50-I53 VanDerWaalsContact O-N 3.15Å; V50-E54 WeakPolarHBondContact O-CB 3.36Å; V50-E54 PolarHBondContact O-N 2.86Å
51	I	77.1	Confident	76.3	Confident	74 Å²	74	70.6 Å²	70.6	38%	0.379	37%	0.372	S	S	.	.	H	α-helix	trans	-57	-46.2	172.9	-67.8	165.3	0	0	0	110.2	R47 I53 E54 D55	R47-I51 HydrophobicContact CG-CD1 4.02Å; R47-I51 VanDerWaalsContact O-CG1 3.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.4Å; R47-I51 PolarHBondContact O-N 2.76Å; I51-I53 VanDerWaalsContact C-N 3.33Å; I51-I53 PolarHBondContact O-N 3.44Å; I51-E54 PolarHBondContact O-N 3.44Å; I51-D55 WeakPolarHBondContact O-CB 3.41Å; I51-D55 PolarHBondContact O-N 3.39Å
52	A	76.5	Confident	74.1	Confident	56 Å²	56	74.8 Å²	74.8	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-32.5	178.4	0	0	0	0	0	113.6	E48 H49 V50 A56	E48-A52 WeakPolarHBondContact O-CB 3.5Å; E48-A52 PolarHBondContact O-N 3.39Å; H49-A52 PolarHBondContact O-N 2.94Å; V50-A52 VanDerWaalsContact C-N 3.32Å; V50-A52 PolarHBondContact O-N 2.93Å; A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.88Å
53	I	76.8	Confident	72.4	Confident	120 Å²	120	78.4 Å²	78.4	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-71.9	-41.5	174	-72.3	164	0	0	0	110.8	H49 V50 I51 A56 F57	H49-I53 WeakPolarHBondContact O-CB 3.18Å; H49-I53 WeakPolarHBondContact O-CD1 3.37Å; H49-I53 VanDerWaalsContact O-CG1 3.23Å; H49-I53 WeakPolarHBondContact O-CG1 3.33Å; H49-I53 PolarHBondContact O-N 3.27Å; V50-I53 PolarHBondContact O-N 2.89Å; V50-I53 VanDerWaalsContact O-N 3.15Å; I51-I53 VanDerWaalsContact C-N 3.33Å; I51-I53 PolarHBondContact O-N 3.44Å; I53-A56 PolarHBondContact O-N 3.03Å; I53-F57 WeakPolarHBondContact O-CB 3.38Å; I53-F57 PolarHBondContact O-N 2.76Å
54	E	73.5	Confident	70.8	Confident	46 Å²	46	77.3 Å²	77.3	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-63.1	-50.1	175	-177.6	159.8	-149.8	0	0	110.7	H24 I27 Y31 V50 I51 A56 F57 V58	H24-E54 IonicContact CE1-OE1 4Å; H24-E54 IonicContact ND1-OE1 2.67Å; I27-E54 HydrophobicContact CD1-CB 4.24Å; I27-E54 HydrophobicContact CD1-CG 4.05Å; Y31-E54 PolarHBondContact OH-OE2 2.95Å; V50-E54 WeakPolarHBondContact O-CB 3.36Å; V50-E54 PolarHBondContact O-N 2.86Å; I51-E54 PolarHBondContact O-N 3.44Å; E54-A56 VanDerWaalsContact C-N 3.31Å; E54-A56 PolarHBondContact O-N 2.75Å; E54-F57 PolarHBondContact O-N 2.82Å; E54-F57 VanDerWaalsContact O-N 3.11Å; E54-V58 HydrophobicContact CG-CG2 4.23Å; E54-V58 VanDerWaalsContact O-CG2 3.23Å; E54-V58 WeakPolarHBondContact O-CG2 3.48Å; E54-V58 PolarHBondContact O-N 2.97Å
55	D	67.6	Low	69.3	Low	63 Å²	63	76.8 Å²	76.8	34%	0.337	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-40.9	175.3	-125.4	-21.2	0	0	0	111.3	I51 F57 V58 N59 R110	I51-D55 WeakPolarHBondContact O-CB 3.41Å; I51-D55 PolarHBondContact O-N 3.39Å; D55-F57 PolarHBondContact O-N 2.97Å; D55-V58 PolarHBondContact O-N 3.41Å; D55-N59 VanDerWaalsContact O-CB 3.26Å; D55-N59 WeakPolarHBondContact O-CB 3.35Å; D55-N59 PolarHBondContact O-N 3.09Å; D55-N59 PolarHBondContact O-ND2 3.26Å; D55-N59 PolarHBondContact OD1-ND2 3.29Å; D55-R110 IonicContact OD1-CZ 2.59Å; D55-R110 IonicContact OD1-NE 2.7Å; D55-R110 IonicContact OD1-NH1 2.88Å; D55-R110 PolarHBondContact OD1-NH1 2.83Å; D55-R110 IonicContact OD1-NH2 3.23Å; D55-R110 PolarHBondContact OD1-NH2 2.97Å; D55-R110 IonicContact OD2-NH2 2.9Å
56	A	68.4	Low	67.6	Low	58 Å²	58	75.2 Å²	75.2	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-42.6	174.8	0	0	0	0	0	112.5	A52 I53 E54 S60	A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.47Å; A52-A56 PolarHBondContact O-N 2.88Å; I53-A56 PolarHBondContact O-N 3.03Å; E54-A56 VanDerWaalsContact C-N 3.31Å; E54-A56 PolarHBondContact O-N 2.75Å; A56-S60 WeakPolarHBondContact O-CB 3.44Å; A56-S60 PolarHBondContact O-N 3.22Å; A56-S60 VanDerWaalsContact O-N 3.16Å
57	F	69	Low	66.3	Low	20 Å²	20	84.8 Å²	84.8	9%	0.088	42%	0.42	C	S	.	.	H	α-helix	trans	-66.5	-40.4	177.4	174.5	-103.5	0	0	0	112.8	F20 V23 I53 E54 D55 W63	F20-F57 HydrophobicContact CD2-CD1 4.33Å; F20-F57 AromaticContact CD2-CE1 3.49Å; F20-F57 HydrophobicContact CD2-CE1 3.49Å; F20-F57 VanDerWaalsContact CD2-CE1 3.49Å; F20-F57 HydrophobicContact CD2-CZ 4.04Å; F20-F57 HydrophobicContact CE2-CD1 4.25Å; F20-F57 AromaticContact CE2-CE1 3.81Å; F20-F57 HydrophobicContact CE2-CE1 3.81Å; F20-F57 HydrophobicContact CG-CE1 4.43Å; V23-F57 HydrophobicContact CB-CE1 4.01Å; V23-F57 HydrophobicContact CB-CZ 3.91Å; V23-F57 HydrophobicContact CG1-CE1 4.2Å; V23-F57 HydrophobicContact CG1-CZ 4.29Å; V23-F57 HydrophobicContact CG2-CE1 4.12Å; V23-F57 HydrophobicContact CG2-CE2 3.94Å; V23-F57 HydrophobicContact CG2-CZ 3.48Å; V23-F57 VanDerWaalsContact CG2-CZ 3.48Å; I53-F57 WeakPolarHBondContact O-CB 3.38Å; I53-F57 PolarHBondContact O-N 2.76Å; E54-F57 PolarHBondContact O-N 2.82Å; E54-F57 VanDerWaalsContact O-N 3.11Å; D55-F57 PolarHBondContact O-N 2.97Å; F57-W63 HydrophobicContact CD2-CD2 4.19Å; F57-W63 AromaticContact CD2-CE3 3.63Å; F57-W63 HydrophobicContact CD2-CE3 3.63Å; F57-W63 HydrophobicContact CD2-CZ3 4.01Å; F57-W63 AromaticContact CE2-CE3 3.7Å; F57-W63 HydrophobicContact CE2-CE3 3.7Å; F57-W63 HydrophobicContact CE2-CZ3 4.12Å
58	V	64	Low	65.3	Low	30 Å²	30	84.8 Å²	84.8	18%	0.182	43%	0.432	C	S	.	.	H	α-helix	trans	-85	-32	-175.1	-171.5	0	0	0	0	112.6	F20 E54 D55 R110	F20-V58 HydrophobicContact CE2-CB 4.34Å; F20-V58 HydrophobicContact CE2-CG1 3.99Å; F20-V58 HydrophobicContact CE2-CG2 3.87Å; F20-V58 HydrophobicContact CZ-CG1 4.01Å; F20-V58 HydrophobicContact CZ-CG2 4.12Å; E54-V58 HydrophobicContact CG-CG2 4.23Å; E54-V58 VanDerWaalsContact O-CG2 3.23Å; E54-V58 WeakPolarHBondContact O-CG2 3.48Å; E54-V58 PolarHBondContact O-N 2.97Å; D55-V58 PolarHBondContact O-N 3.41Å; V58-R110 HydrophobicContact CG1-CB 3.52Å; V58-R110 HydrophobicContact CG1-CG 4.09Å
59	N	55.7	Low	64.9	Low	70 Å²	70	79.3 Å²	79.3	37%	0.374	41%	0.408	S	S	.	.	H	α-helix	trans	-80	-26	174.5	-67.1	-63.1	0	0	0	113.6	D55 Q61 R110	D55-N59 VanDerWaalsContact O-CB 3.26Å; D55-N59 WeakPolarHBondContact O-CB 3.35Å; D55-N59 PolarHBondContact O-N 3.09Å; D55-N59 PolarHBondContact O-ND2 3.26Å; D55-N59 PolarHBondContact OD1-ND2 3.29Å; N59-Q61 PolarHBondContact O-N 3.3Å; N59-Q61 VanDerWaalsContact O-N 3.12Å; N59-R110 PolarHBondContact OD1-NH1 2.85Å
60	S	59.5	Low	64.9	Low	31 Å²	31	74.8 Å²	74.8	22%	0.217	39%	0.389	C	S	.	.			trans	-74.6	109	-170.4	-173.9	0	0	0	0	113.3	A56 E62 W63	A56-S60 WeakPolarHBondContact O-CB 3.44Å; A56-S60 PolarHBondContact O-N 3.22Å; A56-S60 VanDerWaalsContact O-N 3.16Å; S60-E62 PolarHBondContact O-N 3.46Å; S60-E62 VanDerWaalsContact O-N 3.13Å; S60-E62 WeakPolarHBondContact OG-CB 3.39Å; S60-E62 PolarHBondContact OG-N 3.41Å; S60-W63 PolarHBondContact O-N 2.87Å
61	Q	50.6	Low	65.1	Low	118 Å²	118	75.2 Å²	75.2	55%	0.551	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	2.5	170.8	-145.3	175.8	17	0	0	113.1	N59 T64 E71	N59-Q61 PolarHBondContact O-N 3.3Å; N59-Q61 VanDerWaalsContact O-N 3.12Å; Q61-T64 PolarHBondContact O-OG1 3.07Å; Q61-E71 PolarHBondContact NE2-OE2 2.78Å
62	E	47.2	Very low	65.8	Low	173 Å²	173	71.7 Å²	71.7	81%	0.808	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-18.2	168.1	-54.6	-168.5	133.7	0	0	112.2	S60	S60-E62 PolarHBondContact O-N 3.46Å; S60-E62 VanDerWaalsContact O-N 3.13Å; S60-E62 WeakPolarHBondContact OG-CB 3.39Å; S60-E62 PolarHBondContact OG-N 3.41Å
63	W	52.9	Low	66.5	Low	144 Å²	144	70.4 Å²	70.4	55%	0.545	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-19.9	179	-71.9	62.6	0	0	0	112.6	R19 F57 S60	R19-W63 PolarHBondContact NH2-O 3.48Å; F57-W63 HydrophobicContact CD2-CD2 4.19Å; F57-W63 AromaticContact CD2-CE3 3.63Å; F57-W63 HydrophobicContact CD2-CE3 3.63Å; F57-W63 HydrophobicContact CD2-CZ3 4.01Å; F57-W63 AromaticContact CE2-CE3 3.7Å; F57-W63 HydrophobicContact CE2-CE3 3.7Å; F57-W63 HydrophobicContact CE2-CZ3 4.12Å; S60-W63 PolarHBondContact O-N 2.87Å
64	T	55.3	Low	67.4	Low	19 Å²	19	64.8 Å²	64.8	12%	0.117	33%	0.327	C	S	.	.	S	Bend	trans	-68.9	132	172.3	45.2	0	0	0	0	111.4	E16 Q61 S66 E71 L123	E16-T64 HydrophobicContact CG-CG2 4.49Å; Q61-T64 PolarHBondContact O-OG1 3.07Å; T64-S66 PolarHBondContact O-N 2.79Å; T64-E71 WeakPolarHBondContact CB-OE1 3.45Å; T64-E71 PolarHBondContact OG1-OE1 2.75Å; T64-L123 HydrophobicContact CG2-CD2 4.13Å
65	L	51.1	Low	68.4	Low	78 Å²	78	62.6 Å²	62.6	41%	0.408	32%	0.317	S	S	.	.	S	Bend	trans	-60.2	95.2	-172.9	-95	166.3	0	0	0	114.6	A15 E16 V69	A15-L65 HydrophobicContact CB-CD1 4.23Å; E16-L65 HydrophobicContact CB-CB 4.29Å; E16-L65 HydrophobicContact CB-CD1 4.22Å; E16-L65 PolarHBondContact OE2-N 3.25Å; L65-V69 WeakPolarHBondContact O-CG2 3.46Å
66	S	54	Low	69.7	Low	68 Å²	68	59.6 Å²	59.6	48%	0.476	30%	0.301	S	S	.	.			trans	69	147.3	170.6	83.4	0	0	0	0	116.6	T64 S68 V69	T64-S66 PolarHBondContact O-N 2.79Å; S66-S68 PolarHBondContact O-N 3.27Å; S66-S68 PolarHBondContact OG-N 2.69Å; S66-S68 PolarHBondContact OG-OG 2.85Å; S66-V69 PolarHBondContact O-N 3.25Å
67	R	59	Low	70.8	Confident	265 Å²	265	56.9 Å²	56.9	100%	1	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	22.1	172.9	-58.5	-175	178.8	-167.2	-1.1	114.5
68	S	63.3	Low	71.9	Confident	77 Å²	77	56 Å²	56	54%	0.538	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-19	-178.4	76	0	0	0	0	114	S66	S66-S68 PolarHBondContact O-N 3.27Å; S66-S68 PolarHBondContact OG-N 2.69Å; S66-S68 PolarHBondContact OG-OG 2.85Å
69	V	73.5	Confident	73.1	Confident	18 Å²	18	55.6 Å²	55.6	11%	0.109	27%	0.272	C	S	.	.	S	Bend	trans	-79.5	129.7	175.7	175.5	0	0	0	0	109.5	A12 I13 L65 S66 E71 L123	A12-V69 HydrophobicContact CB-CG2 3.95Å; I13-V69 HydrophobicContact CD1-CG1 4.14Å; I13-V69 HydrophobicContact CG1-CG1 3.51Å; L65-V69 WeakPolarHBondContact O-CG2 3.46Å; S66-V69 PolarHBondContact O-N 3.25Å; V69-E71 PolarHBondContact O-N 2.9Å; V69-L123 HydrophobicContact CG1-CB 3.83Å
70	P	83.3	Confident	74.4	Confident	27 Å²	27	55.6 Å²	55.6	18%	0.175	27%	0.271	C	S	.	.			trans	-83.7	112.6	179.2	33.5	-33.5	0	0	0	110.5	S121 Y122 L123	P70-S121 WeakPolarHBondContact CG-O 3.36Å; P70-Y122 HydrophobicContact CB-CD1 3.6Å; P70-Y122 HydrophobicContact CB-CE1 3.75Å; P70-Y122 HydrophobicContact CG-CD1 3.77Å; P70-Y122 HydrophobicContact CG-CE1 4.07Å; P70-Y122 HydrophobicContact CG-CG 4.28Å; P70-Y122 VanDerWaalsContact O-CA 3.29Å; P70-Y122 WeakPolarHBondContact O-CA 3.2Å; P70-Y122 WeakPolarHBondContact O-CB 3.39Å; P70-Y122 WeakPolarHBondContact O-CD1 3.42Å; P70-L123 PolarHBondContact O-N 3.36Å
71	E	87.8	Confident	75.7	Confident	25 Å²	25	56.9 Å²	56.9	12%	0.117	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.8	-179.9	-60.1	178.6	164.9	0	0	112.4	Q61 T64 V69 L123 L125 R237	Q61-E71 PolarHBondContact NE2-OE2 2.78Å; T64-E71 WeakPolarHBondContact CB-OE1 3.45Å; T64-E71 PolarHBondContact OG1-OE1 2.75Å; V69-E71 PolarHBondContact O-N 2.9Å; E71-L123 CarbonylContact C-O 3.51Å; E71-L123 WeakPolarHBondContact CA-O 3.2Å; E71-L123 HydrophobicContact CG-CB 4.49Å; E71-L123 HydrophobicContact CG-CD2 4.38Å; E71-L125 HydrophobicContact CB-CD1 4.39Å; E71-L125 HydrophobicContact CG-CD1 4.42Å; E71-R237 VanDerWaalsContact O-CZ 3.27Å; E71-R237 PolarHBondContact O-NH1 3.29Å; E71-R237 PolarHBondContact O-NH2 2.83Å
72	L	92.6	Very high	77.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.1	169.8	-59.7	173.6	0	0	0	108.7	I115 Y122 L123 L124 L125 A230 I233 V234	L72-I115 HydrophobicContact CD1-CG2 3.94Å; L72-Y122 HydrophobicContact CD1-CD1 3.96Å; L72-Y122 HydrophobicContact CD1-CD2 4.33Å; L72-Y122 HydrophobicContact CD1-CG 3.72Å; L72-Y122 HydrophobicContact CD2-CD1 3.93Å; L72-Y122 HydrophobicContact CD2-CE1 4.35Å; L72-Y122 HydrophobicContact CG-CD1 3.78Å; L72-Y122 HydrophobicContact CG-CG 3.99Å; L72-L123 PolarHBondContact N-O 2.82Å; L72-L124 HydrophobicContact CB-CD1 3.96Å; L72-L125 PolarHBondContact O-N 2.78Å; L72-A230 HydrophobicContact CD1-CB 3.94Å; L72-I233 HydrophobicContact CB-CD1 4.23Å; L72-I233 HydrophobicContact CD2-CB 4.06Å; L72-I233 HydrophobicContact CD2-CG2 3.48Å; L72-I233 VanDerWaalsContact CD2-CG2 3.48Å; L72-V234 HydrophobicContact CD1-CG2 4.44Å; L72-V234 HydrophobicContact CD2-CG2 4.03Å
73	K	92.3	Very high	79.5	Confident	29 Å²	29	43.9 Å²	43.9	13%	0.126	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113	-175	-65.2	175.1	-178.6	-175.7	0	110.8	L125 W140 D142 A143	K73-L125 HydrophobicContact CG-CB 4.3Å; K73-L125 HydrophobicContact CG-CD1 4.08Å; K73-W140 HydrophobicContact CB-CD2 4.29Å; K73-W140 HydrophobicContact CB-CE3 4.03Å; K73-W140 HydrophobicContact CB-CH2 3.9Å; K73-W140 HydrophobicContact CB-CZ2 4.17Å; K73-W140 HydrophobicContact CB-CZ3 3.82Å; K73-W140 HydrophobicContact CD-CD2 4.03Å; K73-W140 HydrophobicContact CD-CG 4.34Å; K73-W140 HydrophobicContact CD-CZ2 4.09Å; K73-W140 WeakPolarHBondContact CD-O 3.31Å; K73-W140 HydrophobicContact CG-CD2 4.42Å; K73-W140 HydrophobicContact CG-CH2 4.1Å; K73-W140 HydrophobicContact CG-CZ2 3.89Å; K73-W140 HydrophobicContact CG-CZ3 4.45Å; K73-D142 WeakPolarHBondContact CB-OD2 3.06Å; K73-D142 PolarHBondContact N-OD2 2.87Å; K73-D142 WeakPolarHBondContact O-CA 3.48Å; K73-D142 WeakPolarHBondContact O-CB 3.24Å; K73-D142 PolarHBondContact O-N 2.78Å; K73-A143 PolarHBondContact O-N 3.03Å
74	V	95.3	Very high	81.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123	-179.1	175	0	0	0	0	110	I76 L124 L125 I126 R127 I145 V229 I233	V74-I76 HydrophobicContact CG1-CG1 4.43Å; V74-L124 HydrophobicContact CB-CD1 4.33Å; V74-L124 HydrophobicContact CG2-CD1 3.63Å; V74-L125 PolarHBondContact N-O 3.06Å; V74-I126 WeakPolarHBondContact O-CA 3.36Å; V74-R127 PolarHBondContact O-N 2.96Å; V74-I145 HydrophobicContact CG1-CD1 3.81Å; V74-I145 HydrophobicContact CG1-CG1 4.09Å; V74-V229 HydrophobicContact CB-CG1 4.48Å; V74-V229 HydrophobicContact CG1-CG1 4.07Å; V74-V229 HydrophobicContact CG2-CG1 3.52Å; V74-I233 HydrophobicContact CG2-CD1 3.82Å
75	G	93.7	Very high	82.8	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140	168.7	0	0	0	0	0	111.5	R127 F137 A143 V144 I145	G75-R127 CarbonylContact C-O 3.55Å; G75-R127 WeakPolarHBondContact CA-O 3.34Å; G75-F137 VanDerWaalsContact CA-CZ 3.45Å; G75-A143 PolarHBondContact N-O 2.94Å; G75-V144 WeakPolarHBondContact O-CA 3.41Å; G75-I145 PolarHBondContact O-N 3.06Å
76	I	94.7	Very high	84.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.9	171.7	-55.4	179.8	0	0	0	107	V74 K84 V88 I126 R127 D128 E129 I145 V147 F226	V74-I76 HydrophobicContact CG1-CG1 4.43Å; I76-K84 HydrophobicContact CG2-CB 4.02Å; I76-V88 HydrophobicContact CD1-CB 4.37Å; I76-V88 HydrophobicContact CD1-CG1 4.15Å; I76-V88 HydrophobicContact CD1-CG2 3.51Å; I76-I126 HydrophobicContact CD1-CG2 3.5Å; I76-I126 VanDerWaalsContact CD1-CG2 3.5Å; I76-I126 HydrophobicContact CG1-CG2 4.06Å; I76-R127 PolarHBondContact N-O 3.16Å; I76-D128 HydrophobicContact CB-CB 4.43Å; I76-D128 WeakPolarHBondContact CG2-OD1 3.49Å; I76-E129 PolarHBondContact O-N 2.67Å; I76-I145 WeakPolarHBondContact CA-O 3.23Å; I76-I145 HydrophobicContact CG1-CB 4.4Å; I76-I145 HydrophobicContact CG1-CD1 4.21Å; I76-V147 HydrophobicContact CG2-CG2 3.66Å; I76-F226 HydrophobicContact CD1-CE1 3.81Å; I76-F226 HydrophobicContact CD1-CZ 3.65Å
77	V	93.1	Very high	86.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	114.6	-163.7	175.8	0	0	0	0	110	P133 F137 V144 I145 F146 V147 Y162	V77-P133 HydrophobicContact CG1-CG 4.25Å; V77-F137 HydrophobicContact CG2-CE1 3.5Å; V77-F137 VanDerWaalsContact CG2-CE1 3.5Å; V77-F137 HydrophobicContact CG2-CZ 3.38Å; V77-V144 HydrophobicContact CB-CG1 4.15Å; V77-V144 HydrophobicContact CG2-CG1 3.74Å; V77-I145 PolarHBondContact N-O 3.28Å; V77-F146 HydrophobicContact CB-CD1 4.01Å; V77-F146 HydrophobicContact CB-CE1 4.14Å; V77-F146 HydrophobicContact CG1-CD1 3.78Å; V77-F146 HydrophobicContact CG1-CE1 3.66Å; V77-F146 WeakPolarHBondContact O-CA 3.4Å; V77-V147 PolarHBondContact O-N 2.94Å; V77-Y162 HydrophobicContact CG1-CD2 3.49Å; V77-Y162 VanDerWaalsContact CG1-CD2 3.49Å; V77-Y162 HydrophobicContact CG1-CE2 4.41Å; V77-Y162 HydrophobicContact CG1-CG 4.07Å
78	G	91.3	Very high	88	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.01	12%	0.119	C	C	.	.			trans	-171.5	167.3	178.4	0	0	0	0	0	111.2	E129 G130	G78-E129 PolarHBondContact N-O 2.74Å; G78-G130 WeakPolarHBondContact O-CA 3.36Å
79	N	88.1	Confident	89.2	Confident	23 Å²	23	17.5 Å²	17.5	12%	0.123	11%	0.107	C	C	.	.			trans	-71.8	169.4	169.1	66.7	-21.6	0	0	0	110.6	A81 S82 D152 S155 T158	N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 3.22Å; N79-S82 WeakPolarHBondContact O-CB 3.22Å; N79-S82 PolarHBondContact O-N 2.59Å; N79-S82 PolarHBondContact O-OG 2.96Å; N79-S82 WeakPolarHBondContact OD1-CB 3.47Å; N79-S82 PolarHBondContact OD1-N 3.31Å; N79-S82 VanDerWaalsContact OD1-N 3.12Å; N79-D152 PolarHBondContact ND2-OD2 2.91Å; N79-S155 WeakPolarHBondContact ND2-CA 3.27Å; N79-S155 WeakPolarHBondContact OD1-CA 3.24Å; N79-S155 WeakPolarHBondContact OD1-CB 3.37Å; N79-T158 HydrophobicContact CB-CG2 4.37Å
80	L	84.1	Confident	90	Very high	70 Å²	70	19.4 Å²	19.4	37%	0.366	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-52.5	-47.3	175.7	-61.6	170.6	0	0	0	111.8	S82	L80-S82 PolarHBondContact O-N 2.95Å
81	A	86.6	Confident	90.5	Very high	57 Å²	57	18.4 Å²	18.4	47%	0.471	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-68.1	1.1	178.3	0	0	0	0	0	115.9	N79 G83 S149	N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 3.22Å; A81-G83 VanDerWaalsContact C-N 3.31Å; A81-G83 PolarHBondContact O-N 2.88Å; A81-S149 VanDerWaalsContact O-CB 3.27Å; A81-S149 WeakPolarHBondContact O-CB 3.2Å
82	S	89.6	Confident	90.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-74.4	-16.2	179.5	64.9	0	0	0	0	114.4	N79 L80 K84 V147 F148 T182	N79-S82 WeakPolarHBondContact O-CB 3.22Å; N79-S82 PolarHBondContact O-N 2.59Å; N79-S82 PolarHBondContact O-OG 2.96Å; N79-S82 WeakPolarHBondContact OD1-CB 3.47Å; N79-S82 PolarHBondContact OD1-N 3.31Å; N79-S82 VanDerWaalsContact OD1-N 3.12Å; L80-S82 PolarHBondContact O-N 2.95Å; S82-K84 PolarHBondContact O-N 2.93Å; S82-K84 WeakPolarHBondContact OG-CB 3.47Å; S82-K84 PolarHBondContact OG-N 3.3Å; S82-V147 WeakPolarHBondContact CB-O 3.31Å; S82-V147 WeakPolarHBondContact O-CG1 3.49Å; S82-F148 CarbonylContact O-C 3.6Å; S82-T182 VanDerWaalsContact O-CG2 3.3Å; S82-T182 WeakPolarHBondContact O-CG2 3.49Å; S82-T182 PolarHBondContact O-OG1 2.89Å
83	G	88.7	Confident	90	Very high	18 Å²	18	23.1 Å²	23.1	19%	0.186	13%	0.134	C	C	.	.			trans	73.8	11.2	-170.1	0	0	0	0	0	114.2	A81 S85 A86 L87	A81-G83 VanDerWaalsContact C-N 3.31Å; A81-G83 PolarHBondContact O-N 2.88Å; G83-S85 PolarHBondContact O-N 2.9Å; G83-A86 PolarHBondContact O-N 2.7Å; G83-L87 PolarHBondContact O-N 3.13Å
84	K	90.4	Very high	89.6	Confident	3 Å²	3	23.8 Å²	23.8	1%	0.013	15%	0.148	C	C	.	.	H	α-helix	trans	-47.5	-45.4	176.2	68.8	-176.6	-174.1	48.2	0	112.2	I76 S82 L87 V88 D128 G130 V147	I76-K84 HydrophobicContact CG2-CB 4.02Å; S82-K84 PolarHBondContact O-N 2.93Å; S82-K84 WeakPolarHBondContact OG-CB 3.47Å; S82-K84 PolarHBondContact OG-N 3.3Å; K84-L87 WeakPolarHBondContact O-CA 3.38Å; K84-L87 VanDerWaalsContact O-CB 3.31Å; K84-L87 WeakPolarHBondContact O-CB 3.38Å; K84-L87 PolarHBondContact O-N 3.36Å; K84-L87 VanDerWaalsContact O-N 3.15Å; K84-V88 WeakPolarHBondContact O-CG2 3.25Å; K84-V88 PolarHBondContact O-N 2.72Å; K84-D128 VanDerWaalsContact CD-OD1 3.31Å; K84-D128 WeakPolarHBondContact CD-OD1 3.26Å; K84-D128 WeakPolarHBondContact CG-OD1 3.34Å; K84-D128 IonicContact NZ-OD1 3.08Å; K84-D128 IonicContact NZ-OD2 2.71Å; K84-D128 PolarHBondContact NZ-OD2 2.67Å; K84-G130 VanDerWaalsContact CE-CA 3.44Å; K84-V147 HydrophobicContact CB-CB 4.17Å; K84-V147 HydrophobicContact CB-CG1 4.34Å; K84-V147 HydrophobicContact CB-CG2 4.24Å
85	S	87.4	Confident	88.9	Confident	17 Å²	17	27.4 Å²	27.4	12%	0.119	17%	0.171	C	C	.	.	H	α-helix	trans	-70.6	-43.5	-169.9	-40.8	0	0	0	0	110.6	G83 L87 V88 H89 E100	G83-S85 PolarHBondContact O-N 2.9Å; S85-L87 VanDerWaalsContact C-N 3.33Å; S85-L87 PolarHBondContact O-N 3.07Å; S85-V88 PolarHBondContact O-N 3.49Å; S85-H89 WeakPolarHBondContact O-CB 3.31Å; S85-H89 PolarHBondContact O-N 2.91Å; S85-E100 VanDerWaalsContact CB-OE1 3.23Å; S85-E100 WeakPolarHBondContact CB-OE1 3.4Å; S85-E100 PolarHBondContact OG-OE1 2.94Å
86	A	88.9	Confident	88.3	Confident	15 Å²	15	30.2 Å²	30.2	12%	0.124	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-37.2	172	0	0	0	0	0	112.3	G83 R90 Y96 A216	G83-A86 PolarHBondContact O-N 2.7Å; A86-R90 WeakPolarHBondContact O-CB 3.47Å; A86-R90 PolarHBondContact O-N 2.97Å; A86-Y96 HydrophobicContact CB-CD2 4.23Å; A86-Y96 HydrophobicContact CB-CE2 3.89Å; A86-A216 HydrophobicContact CB-CB 3.92Å; A86-A216 WeakPolarHBondContact O-CB 3.42Å
87	L	92.3	Very high	87.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-42.9	173.8	179.1	70.5	0	0	0	111.9	G83 K84 S85 Y91 V147 V180 T214 V222 F226	G83-L87 PolarHBondContact O-N 3.13Å; K84-L87 WeakPolarHBondContact O-CA 3.38Å; K84-L87 VanDerWaalsContact O-CB 3.31Å; K84-L87 WeakPolarHBondContact O-CB 3.38Å; K84-L87 PolarHBondContact O-N 3.36Å; K84-L87 VanDerWaalsContact O-N 3.15Å; S85-L87 VanDerWaalsContact C-N 3.33Å; S85-L87 PolarHBondContact O-N 3.07Å; L87-Y91 WeakPolarHBondContact O-CB 3.44Å; L87-Y91 PolarHBondContact O-N 3.36Å; L87-V147 HydrophobicContact CD2-CG1 4.35Å; L87-V147 HydrophobicContact CD2-CG2 4.06Å; L87-V180 HydrophobicContact CD2-CG1 3.92Å; L87-T214 HydrophobicContact CD1-CG2 4.09Å; L87-V222 HydrophobicContact CD1-CB 4.23Å; L87-V222 HydrophobicContact CD1-CG1 3.92Å; L87-V222 HydrophobicContact CD1-CG2 3.83Å; L87-F226 HydrophobicContact CG-CE2 4.46Å
88	V	91.4	Very high	86	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-49.6	175.5	-157	0	0	0	0	110.7	I76 K84 S85 R90 Y91 L92 F111 I126 D128	I76-V88 HydrophobicContact CD1-CB 4.37Å; I76-V88 HydrophobicContact CD1-CG1 4.15Å; I76-V88 HydrophobicContact CD1-CG2 3.51Å; K84-V88 WeakPolarHBondContact O-CG2 3.25Å; K84-V88 PolarHBondContact O-N 2.72Å; S85-V88 PolarHBondContact O-N 3.49Å; V88-R90 PolarHBondContact O-N 3.22Å; V88-Y91 WeakPolarHBondContact O-CB 3.24Å; V88-Y91 PolarHBondContact O-N 3.44Å; V88-Y91 VanDerWaalsContact O-N 3.08Å; V88-L92 HydrophobicContact CG1-CD1 3.95Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 3.48Å; V88-F111 HydrophobicContact CB-CE2 4.41Å; V88-F111 HydrophobicContact CG1-CD2 3.7Å; V88-F111 HydrophobicContact CG1-CE2 3.84Å; V88-I126 HydrophobicContact CG1-CD1 4.38Å; V88-I126 HydrophobicContact CG1-CG2 3.92Å; V88-D128 HydrophobicContact CG2-CB 4.19Å
89	H	87.9	Confident	84.4	Confident	63 Å²	63	48.5 Å²	48.5	29%	0.292	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-47.9	-179.2	-173.4	-88.8	0	0	0	111	S85 Y91 L92 T93 T95 V97	S85-H89 WeakPolarHBondContact O-CB 3.31Å; S85-H89 PolarHBondContact O-N 2.91Å; H89-Y91 VanDerWaalsContact C-N 3.25Å; H89-Y91 PolarHBondContact O-N 2.98Å; H89-L92 PolarHBondContact O-N 2.99Å; H89-T93 PolarHBondContact CE1-OG1 2.99Å; H89-T93 PolarHBondContact ND1-OG1 2.85Å; H89-T93 PolarHBondContact O-N 2.82Å; H89-T93 PolarHBondContact O-OG1 2.98Å; H89-T95 PolarHBondContact CE1-OG1 3.48Å; H89-T95 VanDerWaalsContact CE1-OG1 3.3Å; H89-T95 PolarHBondContact ND1-O 2.92Å; H89-V97 WeakPolarHBondContact CE1-CG2 3.35Å
90	R	90.8	Very high	82.8	Confident	58 Å²	58	51 Å²	51	22%	0.219	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-34.4	177.7	-176.8	62.4	-177.6	-124.9	17.1	112.7	A86 V88 G94 T95 A216 T217 V222	A86-R90 WeakPolarHBondContact O-CB 3.47Å; A86-R90 PolarHBondContact O-N 2.97Å; V88-R90 PolarHBondContact O-N 3.22Å; R90-G94 VanDerWaalsContact CD-C 3.49Å; R90-G94 WeakPolarHBondContact CD-O 3.5Å; R90-G94 PolarHBondContact NE-O 3.25Å; R90-G94 PolarHBondContact NH2-O 2.93Å; R90-G94 VanDerWaalsContact O-CA 3.3Å; R90-G94 WeakPolarHBondContact O-CA 3.49Å; R90-G94 PolarHBondContact O-N 3.34Å; R90-G94 VanDerWaalsContact O-N 3.14Å; R90-T95 WeakPolarHBondContact CA-O 3.17Å; R90-A216 HydrophobicContact CB-CB 3.89Å; R90-A216 VanDerWaalsContact CD-O 3.22Å; R90-A216 WeakPolarHBondContact CD-O 3.33Å; R90-A216 HydrophobicContact CG-CB 4.36Å; R90-A216 VanDerWaalsContact CG-O 3.3Å; R90-A216 WeakPolarHBondContact CG-O 3.49Å; R90-A216 PolarHBondContact NH1-O 3.27Å; R90-T217 VanDerWaalsContact NH1-C 3.33Å; R90-T217 PolarHBondContact NH1-O 3.43Å; R90-V222 HydrophobicContact CB-CG1 4.46Å; R90-V222 HydrophobicContact CG-CG1 4.36Å; R90-V222 HydrophobicContact CG-CG2 4.21Å
91	Y	93.5	Very high	81.1	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-37.7	174.8	177.6	-113.2	0	0	0	112.5	L87 V88 H89 K113 L124 I126 V222 E223 F226	L87-Y91 WeakPolarHBondContact O-CB 3.44Å; L87-Y91 PolarHBondContact O-N 3.36Å; V88-Y91 WeakPolarHBondContact O-CB 3.24Å; V88-Y91 PolarHBondContact O-N 3.44Å; V88-Y91 VanDerWaalsContact O-N 3.08Å; H89-Y91 VanDerWaalsContact C-N 3.25Å; H89-Y91 PolarHBondContact O-N 2.98Å; Y91-K113 HydrophobicContact CD1-CD 4.14Å; Y91-K113 HydrophobicContact CE1-CD 3.6Å; Y91-K113 HydrophobicContact CE2-CD 4.49Å; Y91-K113 VanDerWaalsContact CZ-NZ 3.26Å; Y91-K113 PolarHBondContact O-NZ 3.44Å; Y91-L124 HydrophobicContact CE1-CD2 3.73Å; Y91-L124 WeakPolarHBondContact OH-CD2 3.26Å; Y91-I126 HydrophobicContact CD1-CD1 3.86Å; Y91-I126 HydrophobicContact CE1-CD1 3.84Å; Y91-V222 HydrophobicContact CD2-CG1 4.47Å; Y91-E223 VanDerWaalsContact CD2-OE2 3.3Å; Y91-E223 WeakPolarHBondContact CD2-OE2 3.48Å; Y91-E223 VanDerWaalsContact CE2-CD 3.49Å; Y91-E223 WeakPolarHBondContact CE2-OE1 3.39Å; Y91-E223 WeakPolarHBondContact CE2-OE2 3.23Å; Y91-F226 HydrophobicContact CD1-CB 4.43Å; Y91-F226 AromaticContact CD1-CD1 3.75Å; Y91-F226 HydrophobicContact CD1-CD1 3.75Å; Y91-F226 AromaticContact CD1-CD2 3.73Å; Y91-F226 HydrophobicContact CD1-CD2 3.73Å; Y91-F226 AromaticContact CD1-CE1 3.8Å; Y91-F226 HydrophobicContact CD1-CE1 3.8Å; Y91-F226 AromaticContact CD1-CE2 3.8Å; Y91-F226 HydrophobicContact CD1-CE2 3.8Å; Y91-F226 AromaticContact CD1-CG 3.7Å; Y91-F226 HydrophobicContact CD1-CG 3.7Å; Y91-F226 AromaticContact CD1-CZ 3.83Å; Y91-F226 HydrophobicContact CD1-CZ 3.83Å; Y91-F226 HydrophobicContact CD2-CB 3.94Å; Y91-F226 AromaticContact CD2-CD2 3.39Å; Y91-F226 HydrophobicContact CD2-CD2 3.39Å; Y91-F226 HydrophobicContact CD2-CE2 4.02Å; Y91-F226 AromaticContact CD2-CG 3.73Å; Y91-F226 HydrophobicContact CD2-CG 3.73Å; Y91-F226 HydrophobicContact CE1-CB 3.97Å; Y91-F226 AromaticContact CE1-CD1 3.62Å; Y91-F226 HydrophobicContact CE1-CD1 3.62Å; Y91-F226 HydrophobicContact CE1-CD2 4.13Å; Y91-F226 HydrophobicContact CE1-CE1 4.09Å; Y91-F226 AromaticContact CE1-CG 3.64Å; Y91-F226 HydrophobicContact CE1-CG 3.64Å; Y91-F226 HydrophobicContact CE2-CB 3.4Å; Y91-F226 HydrophobicContact CE2-CD1 4.47Å; Y91-F226 AromaticContact CE2-CD2 3.82Å; Y91-F226 HydrophobicContact CE2-CD2 3.82Å; Y91-F226 AromaticContact CE2-CG 3.66Å; Y91-F226 HydrophobicContact CE2-CG 3.66Å; Y91-F226 HydrophobicContact CG-CB 4.43Å; Y91-F226 HydrophobicContact CG-CD1 4.25Å; Y91-F226 AromaticContact CG-CD2 3.34Å; Y91-F226 HydrophobicContact CG-CD2 3.34Å; Y91-F226 HydrophobicContact CG-CE1 4.35Å; Y91-F226 AromaticContact CG-CE2 3.49Å; Y91-F226 HydrophobicContact CG-CE2 3.49Å; Y91-F226 VanDerWaalsContact CG-CE2 3.49Å; Y91-F226 AromaticContact CG-CG 3.76Å; Y91-F226 HydrophobicContact CG-CG 3.76Å; Y91-F226 AromaticContact CG-CZ 4Å; Y91-F226 HydrophobicContact CG-CZ 4Å; Y91-F226 VanDerWaalsContact CZ-CB 3.44Å; Y91-F226 AromaticContact CZ-CG 3.64Å
92	L	87.6	Confident	79.1	Confident	48 Å²	48	52.8 Å²	52.8	25%	0.251	29%	0.294	S	S	.	.	H	α-helix	trans	-76.5	-53.6	-178.6	-67.2	169.2	0	0	0	112.6	V88 H89 F111 K113 I126	V88-L92 HydrophobicContact CG1-CD1 3.95Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 3.48Å; H89-L92 PolarHBondContact O-N 2.99Å; L92-F111 HydrophobicContact CD1-CB 3.61Å; L92-F111 HydrophobicContact CD1-CD1 3.47Å; L92-F111 VanDerWaalsContact CD1-CD1 3.47Å; L92-F111 HydrophobicContact CD1-CD2 3.93Å; L92-F111 HydrophobicContact CD1-CE1 4.06Å; L92-F111 HydrophobicContact CD1-CE2 4.45Å; L92-F111 HydrophobicContact CD1-CG 3.39Å; L92-F111 HydrophobicContact CD2-CB 4.06Å; L92-F111 HydrophobicContact CG-CB 4.48Å; L92-K113 HydrophobicContact CD2-CB 4.04Å; L92-K113 HydrophobicContact CD2-CD 4.24Å; L92-I126 HydrophobicContact CD2-CD1 4.16Å
93	T	82.6	Confident	77.2	Confident	77 Å²	77	57.3 Å²	57.3	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-100.4	-16.6	-168.2	64.5	0	0	0	0	113.9	H89 T95	H89-T93 PolarHBondContact CE1-OG1 2.99Å; H89-T93 PolarHBondContact ND1-OG1 2.85Å; H89-T93 PolarHBondContact O-N 2.82Å; H89-T93 PolarHBondContact O-OG1 2.98Å; T93-T95 PolarHBondContact O-N 3.43Å; T93-T95 PolarHBondContact OG1-N 2.86Å; T93-T95 PolarHBondContact OG1-OG1 3.22Å; T93-T95 VanDerWaalsContact OG1-OG1 3.07Å
94	G	83.2	Confident	75.3	Confident	42 Å²	42	59 Å²	59	43%	0.433	32%	0.32	S	S	.	.	S	Bend	trans	76	-0.7	-171.2	0	0	0	0	0	114.7	R90	R90-G94 VanDerWaalsContact CD-C 3.49Å; R90-G94 WeakPolarHBondContact CD-O 3.5Å; R90-G94 PolarHBondContact NE-O 3.25Å; R90-G94 PolarHBondContact NH2-O 2.93Å; R90-G94 VanDerWaalsContact O-CA 3.3Å; R90-G94 WeakPolarHBondContact O-CA 3.49Å; R90-G94 PolarHBondContact O-N 3.34Å; R90-G94 VanDerWaalsContact O-N 3.14Å
95	T	81	Confident	73.2	Confident	78 Å²	78	64.1 Å²	64.1	48%	0.479	35%	0.345	S	S	.	.			trans	-110.3	152.2	178.5	62.7	0	0	0	0	112.5	H89 R90 T93	H89-T95 PolarHBondContact CE1-OG1 3.48Å; H89-T95 VanDerWaalsContact CE1-OG1 3.3Å; H89-T95 PolarHBondContact ND1-O 2.92Å; R90-T95 WeakPolarHBondContact CA-O 3.17Å; T93-T95 PolarHBondContact O-N 3.43Å; T93-T95 PolarHBondContact OG1-N 2.86Å; T93-T95 PolarHBondContact OG1-OG1 3.22Å; T93-T95 VanDerWaalsContact OG1-OG1 3.07Å
96	Y	81.6	Confident	71.1	Confident	58 Å²	58	71 Å²	71	23%	0.227	38%	0.381	C	S	.	.			trans	-92	136.3	172.4	178	-117.3	0	0	0	109.9	A86 Q98 D184 A216 T217	A86-Y96 HydrophobicContact CB-CD2 4.23Å; A86-Y96 HydrophobicContact CB-CE2 3.89Å; Y96-Q98 HydrophobicContact CE1-CB 3.79Å; Y96-Q98 HydrophobicContact CE1-CG 4.37Å; Y96-D184 HydrophobicContact CE2-CB 4.26Å; Y96-A216 HydrophobicContact CD2-CB 3.68Å; Y96-A216 HydrophobicContact CE2-CB 4.02Å; Y96-T217 HydrophobicContact CD1-CG2 4.06Å; Y96-T217 HydrophobicContact CE1-CG2 4.2Å
97	V	75.4	Confident	69	Low	68 Å²	68	73.5 Å²	73.5	41%	0.412	40%	0.402	S	S	.	.			trans	-129.3	131.2	169.6	176	0	0	0	0	105.9	H89 E99	H89-V97 WeakPolarHBondContact CE1-CG2 3.35Å; V97-E99 WeakPolarHBondContact CG1-O 3.2Å
98	Q	64.4	Low	67.5	Low	148 Å²	148	74.2 Å²	74.2	69%	0.692	41%	0.409	S	S	*	.			trans	-97.1	-25.8	-172.7	-177	167.7	-5.8	0	0	113	Y96	Y96-Q98 HydrophobicContact CE1-CB 3.79Å; Y96-Q98 HydrophobicContact CE1-CG 4.37Å
99	E	56.1	Low	66.7	Low	171 Å²	171	74.6 Å²	74.6	80%	0.799	41%	0.413	S	S	*	.	S	Bend	trans	-94.8	119.2	177.3	-64.5	177.3	147.6	0	0	108.3	V97	V97-E99 WeakPolarHBondContact CG1-O 3.2Å
100	E	55.7	Low	66.3	Low	75 Å²	75	73.6 Å²	73.6	35%	0.35	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-64.8	140.8	167.9	-57.4	-169	114.1	0	0	108.6	S85	S85-E100 VanDerWaalsContact CB-OE1 3.23Å; S85-E100 WeakPolarHBondContact CB-OE1 3.4Å; S85-E100 PolarHBondContact OG-OE1 2.94Å
101	S	47.6	Very low	66	Low	42 Å²	42	73.7 Å²	73.7	29%	0.294	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-70.8	147.8	177.1	80.9	0	0	0	0	109.8	E103 D104	S101-E103 PolarHBondContact O-N 3.32Å; S101-E103 PolarHBondContact OG-N 2.7Å; S101-D104 VanDerWaalsContact CB-OD2 3.31Å; S101-D104 WeakPolarHBondContact CB-OD2 3.3Å; S101-D104 PolarHBondContact N-OD2 2.87Å; S101-D104 PolarHBondContact O-N 3.21Å; S101-D104 VanDerWaalsContact OG-CG 3.27Å; S101-D104 PolarHBondContact OG-N 2.74Å; S101-D104 PolarHBondContact OG-OD2 3.41Å
102	P	45.4	Very low	65.7	Low	122 Å²	122	74.4 Å²	74.4	79%	0.792	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.5	173.8	-25.6	35.7	0	0	0	113.9
103	E	49.1	Very low	65.7	Low	95 Å²	95	74.1 Å²	74.1	44%	0.444	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-25.5	178.4	-57.7	-179.8	133.1	0	0	112.3	Y28 S101 M105	Y28-E103 VanDerWaalsContact CE1-OE2 3.23Å; Y28-E103 WeakPolarHBondContact CE1-OE2 2.95Å; S101-E103 PolarHBondContact O-N 3.32Å; S101-E103 PolarHBondContact OG-N 2.7Å; E103-M105 VanDerWaalsContact C-N 3.28Å; E103-M105 PolarHBondContact O-N 2.85Å
104	D	49.7	Very low	66.1	Low	53 Å²	53	72.6 Å²	72.6	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-71.7	-19.5	175.9	-70.4	-64.8	0	0	0	113.2	S101	S101-D104 VanDerWaalsContact CB-OD2 3.31Å; S101-D104 WeakPolarHBondContact CB-OD2 3.3Å; S101-D104 PolarHBondContact N-OD2 2.87Å; S101-D104 PolarHBondContact O-N 3.21Å; S101-D104 VanDerWaalsContact OG-CG 3.27Å; S101-D104 PolarHBondContact OG-N 2.74Å; S101-D104 PolarHBondContact OG-OD2 3.41Å
105	M	46	Very low	66.6	Low	111 Å²	111	70.8 Å²	70.8	55%	0.547	38%	0.376	S	S	.	.	H	α-helix	trans	-66.5	-39.7	-169.6	-101.1	-168.7	64.3	0	0	114.7	E103	E103-M105 VanDerWaalsContact C-N 3.28Å; E103-M105 PolarHBondContact O-N 2.85Å
106	D	42.2	Very low	67.1	Low	161 Å²	161	70.6 Å²	70.6	86%	0.861	38%	0.375	S	S	*	.	H	α-helix	trans	-105.5	-19.3	-168.4	-81	-20.2	0	0	0	114.8
107	A	46.8	Very low	67.6	Low	69 Å²	69	67.9 Å²	67.9	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-116.2	-24.9	-168.7	0	0	0	0	0	116.2
108	G	60.1	Low	68.1	Low	15 Å²	15	70 Å²	70	16%	0.155	37%	0.374	C	S	.	.			trans	78.3	122.3	-178.3	0	0	0	0	0	114.7	D128	G108-D128 CarbonylContact C-O 3.45Å; G108-D128 WeakPolarHBondContact CA-O 3.34Å
109	G	73.9	Confident	68.9	Low	8 Å²	8	65.2 Å²	65.2	8%	0.082	36%	0.364	C	S	.	.			trans	-65.7	139.2	-173.2	0	0	0	0	0	114.2	D128	G109-D128 PolarHBondContact N-O 2.87Å; G109-D128 WeakPolarHBondContact O-CB 3.24Å; G109-D128 PolarHBondContact O-N 3.5Å
110	R	80.3	Confident	70.3	Confident	41 Å²	41	60.6 Å²	60.6	16%	0.155	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.1	-176.2	-67	148.7	171.2	-98.8	14.8	110.8	D55 V58 N59 I126 R127	D55-R110 IonicContact OD1-CZ 2.59Å; D55-R110 IonicContact OD1-NE 2.7Å; D55-R110 IonicContact OD1-NH1 2.88Å; D55-R110 PolarHBondContact OD1-NH1 2.83Å; D55-R110 IonicContact OD1-NH2 3.23Å; D55-R110 PolarHBondContact OD1-NH2 2.97Å; D55-R110 IonicContact OD2-NH2 2.9Å; V58-R110 HydrophobicContact CG1-CB 3.52Å; V58-R110 HydrophobicContact CG1-CG 4.09Å; N59-R110 PolarHBondContact OD1-NH1 2.85Å; R110-I126 WeakPolarHBondContact CA-O 3.45Å; R110-R127 HydrophobicContact CG-CG 4.27Å
111	F	85	Confident	71.9	Confident	61 Å²	61	57.6 Å²	57.6	27%	0.268	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.2	-163.7	-46.8	-81.2	0	0	0	113.3	V88 L92 I126	V88-F111 HydrophobicContact CB-CE2 4.41Å; V88-F111 HydrophobicContact CG1-CD2 3.7Å; V88-F111 HydrophobicContact CG1-CE2 3.84Å; L92-F111 HydrophobicContact CD1-CB 3.61Å; L92-F111 HydrophobicContact CD1-CD1 3.47Å; L92-F111 VanDerWaalsContact CD1-CD1 3.47Å; L92-F111 HydrophobicContact CD1-CD2 3.93Å; L92-F111 HydrophobicContact CD1-CE1 4.06Å; L92-F111 HydrophobicContact CD1-CE2 4.45Å; L92-F111 HydrophobicContact CD1-CG 3.39Å; L92-F111 HydrophobicContact CD2-CB 4.06Å; L92-F111 HydrophobicContact CG-CB 4.48Å; F111-I126 HydrophobicContact CB-CB 4.32Å; F111-I126 HydrophobicContact CD2-CG2 4.44Å; F111-I126 PolarHBondContact N-O 2.79Å; F111-I126 PolarHBondContact O-N 3.13Å
112	K	86.1	Confident	73.9	Confident	19 Å²	19	56.6 Å²	56.6	8%	0.083	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.2	178.3	-61.1	-171.2	-178.6	165.2	0	110.4	E16 I17 F20 L123 L124 L125	E16-K112 IonicContact OE1-NZ 3.74Å; E16-K112 PolarHBondContact OE1-NZ 2.85Å; I17-K112 HydrophobicContact CG1-CB 4.12Å; F20-K112 HydrophobicContact CB-CD 3.88Å; F20-K112 HydrophobicContact CD1-CB 4.29Å; F20-K112 HydrophobicContact CD1-CD 3.96Å; F20-K112 HydrophobicContact CD1-CG 3.95Å; F20-K112 HydrophobicContact CD2-CD 3.86Å; F20-K112 VanDerWaalsContact CD2-CE 3.41Å; F20-K112 HydrophobicContact CD2-CG 4.49Å; F20-K112 HydrophobicContact CE1-CD 4.45Å; F20-K112 HydrophobicContact CE1-CG 4.1Å; F20-K112 HydrophobicContact CE2-CD 4.32Å; F20-K112 HydrophobicContact CG-CD 3.63Å; F20-K112 HydrophobicContact CG-CG 4.16Å; F20-K112 HydrophobicContact CZ-CG 4.42Å; K112-L123 HydrophobicContact CB-CD1 4.15Å; K112-L124 WeakPolarHBondContact CA-O 3.09Å; K112-L125 HydrophobicContact CD-CD2 4.09Å; K112-L125 HydrophobicContact CG-CD2 3.79Å
113	K	88.3	Confident	76	Confident	42 Å²	42	50.9 Å²	50.9	18%	0.183	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.3	174.7	-178.8	169.4	163	-169.6	0	111.1	Y91 L92 L124 E223	Y91-K113 HydrophobicContact CD1-CD 4.14Å; Y91-K113 HydrophobicContact CE1-CD 3.6Å; Y91-K113 HydrophobicContact CE2-CD 4.49Å; Y91-K113 VanDerWaalsContact CZ-NZ 3.26Å; Y91-K113 PolarHBondContact O-NZ 3.44Å; L92-K113 HydrophobicContact CD2-CB 4.04Å; L92-K113 HydrophobicContact CD2-CD 4.24Å; K113-L124 PolarHBondContact N-O 3.12Å; K113-L124 WeakPolarHBondContact O-CB 3.49Å; K113-L124 PolarHBondContact O-N 3.49Å; K113-E223 IonicContact NZ-OE1 3.81Å; K113-E223 IonicContact NZ-OE2 2.93Å; K113-E223 PolarHBondContact NZ-OE2 3.23Å
114	E	90.8	Very high	78.1	Confident	45 Å²	45	46.4 Å²	46.4	21%	0.21	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127	168.9	-175.3	171.6	-167.5	0	0	109.1	S10 I13 R14 I17 S121	S10-E114 WeakPolarHBondContact CA-OE1 3.29Å; S10-E114 WeakPolarHBondContact CB-OE1 3.34Å; S10-E114 PolarHBondContact OG-OE1 2.87Å; S10-E114 PolarHBondContact OG-OE2 2.91Å; I13-E114 HydrophobicContact CG2-CB 3.7Å; I13-E114 HydrophobicContact CG2-CG 3.85Å; R14-E114 WeakPolarHBondContact CD-OE2 3.41Å; R14-E114 VanDerWaalsContact CG-OE2 3.28Å; R14-E114 WeakPolarHBondContact CG-OE2 3.42Å; R14-E114 IonicContact NE-OE2 2.79Å; R14-E114 PolarHBondContact NE-OE2 2.61Å; I17-E114 HydrophobicContact CD1-CB 4.13Å; E114-S121 WeakPolarHBondContact OE1-CB 3.49Å; E114-S121 PolarHBondContact OE1-OG 2.7Å
115	I	93.3	Very high	80	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.9	170.7	-168.6	164.7	0	0	0	110.6	L72 V117 S121 Y122 L124 A230	L72-I115 HydrophobicContact CD1-CG2 3.94Å; I115-V117 HydrophobicContact CG1-CG2 4.47Å; I115-S121 WeakPolarHBondContact O-CA 3.38Å; I115-Y122 PolarHBondContact N-O 3.22Å; I115-Y122 PolarHBondContact O-N 2.89Å; I115-L124 HydrophobicContact CB-CB 4.36Å; I115-L124 HydrophobicContact CB-CD2 4.4Å; I115-L124 HydrophobicContact CD1-CD2 4.26Å; I115-L124 HydrophobicContact CG2-CB 3.84Å; I115-L124 HydrophobicContact CG2-CD2 4.39Å; I115-L124 HydrophobicContact CG2-CG 4.49Å; I115-A230 HydrophobicContact CD1-CB 3.56Å; I115-A230 HydrophobicContact CG1-CB 4.45Å; I115-A230 HydrophobicContact CG2-CB 4.48Å
116	V	91.5	Very high	82.1	Confident	74 Å²	74	39.6 Å²	39.6	45%	0.448	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.1	176.5	-176.1	0	0	0	0	109.6	Q120 Q227	V116-Q120 WeakPolarHBondContact CA-O 3.31Å; V116-Q227 PolarHBondContact O-NE2 3.36Å
117	V	91.4	Very high	84.3	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.1	175.3	-174.1	0	0	0	0	107.8	I115 G119 Q120 Y122 A230 Q231 V234	I115-V117 HydrophobicContact CG1-CG2 4.47Å; V117-G119 PolarHBondContact O-N 2.99Å; V117-Q120 PolarHBondContact N-O 3.03Å; V117-Q120 PolarHBondContact O-N 3.12Å; V117-Q120 VanDerWaalsContact O-O 3.13Å; V117-Y122 HydrophobicContact CB-CD2 4.08Å; V117-Y122 HydrophobicContact CB-CE2 3.85Å; V117-Y122 HydrophobicContact CG2-CD2 4.25Å; V117-Y122 HydrophobicContact CG2-CE2 4.47Å; V117-A230 HydrophobicContact CG2-CB 3.78Å; V117-Q231 HydrophobicContact CG1-CG 3.94Å; V117-V234 HydrophobicContact CB-CG2 4.24Å; V117-V234 HydrophobicContact CG1-CB 4.07Å; V117-V234 HydrophobicContact CG1-CG1 4.23Å; V117-V234 HydrophobicContact CG1-CG2 3.96Å
118	D	87.1	Confident	86.3	Confident	113 Å²	113	30 Å²	30	60%	0.604	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	28.3	-177.8	-55.6	-17.9	0	0	0	114.9	Q120 K238	D118-Q120 VanDerWaalsContact C-N 3.35Å; D118-K238 IonicContact OD2-NZ 2.78Å; D118-K238 PolarHBondContact OD2-NZ 3.33Å
119	G	81.3	Confident	87.2	Confident	46 Å²	46	30.4 Å²	30.4	47%	0.474	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	11	-176.5	0	0	0	0	0	115	Q6 V117	Q6-G119 PolarHBondContact NE2-O 2.94Å; V117-G119 PolarHBondContact O-N 2.99Å
120	Q	85.7	Confident	87	Confident	74 Å²	74	31.2 Å²	31.2	35%	0.346	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.3	174.4	175.9	170.2	-16.3	0	0	110	V116 V117 D118 Y122	V116-Q120 WeakPolarHBondContact CA-O 3.31Å; V117-Q120 PolarHBondContact N-O 3.03Å; V117-Q120 PolarHBondContact O-N 3.12Å; V117-Q120 VanDerWaalsContact O-O 3.13Å; D118-Q120 VanDerWaalsContact C-N 3.35Å; Q120-Y122 HydrophobicContact CB-CE2 3.86Å; Q120-Y122 HydrophobicContact CG-CD2 4.38Å; Q120-Y122 HydrophobicContact CG-CE2 3.77Å; Q120-Y122 WeakPolarHBondContact O-CD2 3.46Å; Q120-Y122 WeakPolarHBondContact O-CE2 3.12Å
121	S	88.4	Confident	86.9	Confident	13 Å²	13	30.6 Å²	30.6	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	139.9	171.9	-61.3	0	0	0	0	111.5	P70 E114 I115	P70-S121 WeakPolarHBondContact CG-O 3.36Å; E114-S121 WeakPolarHBondContact OE1-CB 3.49Å; E114-S121 PolarHBondContact OE1-OG 2.7Å; I115-S121 WeakPolarHBondContact O-CA 3.38Å
122	Y	90.1	Very high	86.8	Confident	20 Å²	20	30.2 Å²	30.2	8%	0.078	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.5	174.8	-66	-99	0	0	0	110	P70 L72 I115 V117 Q120 L124 V234	P70-Y122 HydrophobicContact CB-CD1 3.6Å; P70-Y122 HydrophobicContact CB-CE1 3.75Å; P70-Y122 HydrophobicContact CG-CD1 3.77Å; P70-Y122 HydrophobicContact CG-CE1 4.07Å; P70-Y122 HydrophobicContact CG-CG 4.28Å; P70-Y122 VanDerWaalsContact O-CA 3.29Å; P70-Y122 WeakPolarHBondContact O-CA 3.2Å; P70-Y122 WeakPolarHBondContact O-CB 3.39Å; P70-Y122 WeakPolarHBondContact O-CD1 3.42Å; L72-Y122 HydrophobicContact CD1-CD1 3.96Å; L72-Y122 HydrophobicContact CD1-CD2 4.33Å; L72-Y122 HydrophobicContact CD1-CG 3.72Å; L72-Y122 HydrophobicContact CD2-CD1 3.93Å; L72-Y122 HydrophobicContact CD2-CE1 4.35Å; L72-Y122 HydrophobicContact CG-CD1 3.78Å; L72-Y122 HydrophobicContact CG-CG 3.99Å; I115-Y122 PolarHBondContact N-O 3.22Å; I115-Y122 PolarHBondContact O-N 2.89Å; V117-Y122 HydrophobicContact CB-CD2 4.08Å; V117-Y122 HydrophobicContact CB-CE2 3.85Å; V117-Y122 HydrophobicContact CG2-CD2 4.25Å; V117-Y122 HydrophobicContact CG2-CE2 4.47Å; Q120-Y122 HydrophobicContact CB-CE2 3.86Å; Q120-Y122 HydrophobicContact CG-CD2 4.38Å; Q120-Y122 HydrophobicContact CG-CE2 3.77Å; Q120-Y122 WeakPolarHBondContact O-CD2 3.46Å; Q120-Y122 WeakPolarHBondContact O-CE2 3.12Å; Y122-L124 PolarHBondContact O-N 2.82Å; Y122-V234 HydrophobicContact CE1-CG2 4.01Å; Y122-V234 HydrophobicContact CE2-CG2 4.14Å
123	L	89.4	Confident	86.9	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	107.7	167.5	178.8	59.9	0	0	0	108.4	I13 E16 I17 T64 V69 P70 E71 L72 K112 L125	I13-L123 HydrophobicContact CG1-CB 4.31Å; I13-L123 HydrophobicContact CG2-CD1 4.22Å; E16-L123 HydrophobicContact CG-CD2 3.93Å; I17-L123 HydrophobicContact CD1-CD1 4.45Å; I17-L123 HydrophobicContact CG1-CD1 4.12Å; T64-L123 HydrophobicContact CG2-CD2 4.13Å; V69-L123 HydrophobicContact CG1-CB 3.83Å; P70-L123 PolarHBondContact O-N 3.36Å; E71-L123 CarbonylContact C-O 3.51Å; E71-L123 WeakPolarHBondContact CA-O 3.2Å; E71-L123 HydrophobicContact CG-CB 4.49Å; E71-L123 HydrophobicContact CG-CD2 4.38Å; L72-L123 PolarHBondContact N-O 2.82Å; K112-L123 HydrophobicContact CB-CD1 4.15Å; L123-L125 HydrophobicContact CD1-CD2 4.38Å; L123-L125 HydrophobicContact CD2-CD2 3.96Å; L123-L125 HydrophobicContact CG-CD2 3.83Å; L123-L125 HydrophobicContact CG-CG 4.39Å
124	L	92	Very high	86.9	Confident	1 Å²	1	32 Å²	32	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	115.5	174.4	-172.9	62.7	0	0	0	109	L72 V74 Y91 K112 K113 I115 Y122 I126 F226	L72-L124 HydrophobicContact CB-CD1 3.96Å; V74-L124 HydrophobicContact CB-CD1 4.33Å; V74-L124 HydrophobicContact CG2-CD1 3.63Å; Y91-L124 HydrophobicContact CE1-CD2 3.73Å; Y91-L124 WeakPolarHBondContact OH-CD2 3.26Å; K112-L124 WeakPolarHBondContact CA-O 3.09Å; K113-L124 PolarHBondContact N-O 3.12Å; K113-L124 WeakPolarHBondContact O-CB 3.49Å; K113-L124 PolarHBondContact O-N 3.49Å; I115-L124 HydrophobicContact CB-CB 4.36Å; I115-L124 HydrophobicContact CB-CD2 4.4Å; I115-L124 HydrophobicContact CD1-CD2 4.26Å; I115-L124 HydrophobicContact CG2-CB 3.84Å; I115-L124 HydrophobicContact CG2-CD2 4.39Å; I115-L124 HydrophobicContact CG2-CG 4.49Å; Y122-L124 PolarHBondContact O-N 2.82Å; L124-I126 HydrophobicContact CD2-CD1 4.2Å; L124-I126 HydrophobicContact CD2-CG1 4.23Å; L124-I126 HydrophobicContact CG-CD1 4.45Å; L124-I126 HydrophobicContact CG-CG1 4Å; L124-F226 HydrophobicContact CD2-CD1 4.32Å
125	L	89.7	Confident	86.6	Confident	18 Å²	18	31.9 Å²	31.9	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.5	172.9	-56.7	179.6	0	0	0	107.7	E71 L72 K73 V74 K112 L123 W140	E71-L125 HydrophobicContact CB-CD1 4.39Å; E71-L125 HydrophobicContact CG-CD1 4.42Å; L72-L125 PolarHBondContact O-N 2.78Å; K73-L125 HydrophobicContact CG-CB 4.3Å; K73-L125 HydrophobicContact CG-CD1 4.08Å; V74-L125 PolarHBondContact N-O 3.06Å; K112-L125 HydrophobicContact CD-CD2 4.09Å; K112-L125 HydrophobicContact CG-CD2 3.79Å; L123-L125 HydrophobicContact CD1-CD2 4.38Å; L123-L125 HydrophobicContact CD2-CD2 3.96Å; L123-L125 HydrophobicContact CG-CD2 3.83Å; L123-L125 HydrophobicContact CG-CG 4.39Å; L125-W140 HydrophobicContact CB-CH2 3.96Å; L125-W140 HydrophobicContact CB-CZ2 4Å; L125-W140 HydrophobicContact CD1-CZ2 4.41Å
126	I	91.3	Very high	86.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.7	-179.8	-54.9	168.1	0	0	0	108.5	V74 I76 V88 Y91 L92 R110 F111 L124 F226	V74-I126 WeakPolarHBondContact O-CA 3.36Å; I76-I126 HydrophobicContact CD1-CG2 3.5Å; I76-I126 VanDerWaalsContact CD1-CG2 3.5Å; I76-I126 HydrophobicContact CG1-CG2 4.06Å; V88-I126 HydrophobicContact CG1-CD1 4.38Å; V88-I126 HydrophobicContact CG1-CG2 3.92Å; Y91-I126 HydrophobicContact CD1-CD1 3.86Å; Y91-I126 HydrophobicContact CE1-CD1 3.84Å; L92-I126 HydrophobicContact CD2-CD1 4.16Å; R110-I126 WeakPolarHBondContact CA-O 3.45Å; F111-I126 HydrophobicContact CB-CB 4.32Å; F111-I126 HydrophobicContact CD2-CG2 4.44Å; F111-I126 PolarHBondContact N-O 2.79Å; F111-I126 PolarHBondContact O-N 3.13Å; L124-I126 HydrophobicContact CD2-CD1 4.2Å; L124-I126 HydrophobicContact CD2-CG1 4.23Å; L124-I126 HydrophobicContact CG-CD1 4.45Å; L124-I126 HydrophobicContact CG-CG1 4Å; I126-F226 HydrophobicContact CD1-CD1 4.42Å; I126-F226 HydrophobicContact CD1-CE1 3.91Å; I126-F226 HydrophobicContact CG1-CE1 4.39Å
127	R	89	Confident	86.1	Confident	27 Å²	27	35.1 Å²	35.1	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.2	173.4	-179.3	169.5	165.3	158.9	0.1	109.3	V74 G75 I76 R110 E129 F137 W140	V74-R127 PolarHBondContact O-N 2.96Å; G75-R127 CarbonylContact C-O 3.55Å; G75-R127 WeakPolarHBondContact CA-O 3.34Å; I76-R127 PolarHBondContact N-O 3.16Å; R110-R127 HydrophobicContact CG-CG 4.27Å; R127-E129 IonicContact CZ-OE1 2.8Å; R127-E129 IonicContact NE-OE1 3.16Å; R127-E129 PolarHBondContact NE-OE1 3.26Å; R127-E129 IonicContact NH2-OE1 3.24Å; R127-E129 PolarHBondContact NH2-OE1 3.16Å; R127-F137 HydrophobicContact CB-CE2 4.46Å; R127-F137 HydrophobicContact CG-CD2 4.25Å; R127-F137 HydrophobicContact CG-CE2 4.23Å; R127-W140 HydrophobicContact CB-CE3 4.45Å; R127-W140 HydrophobicContact CB-CH2 3.84Å; R127-W140 HydrophobicContact CB-CZ3 3.67Å
128	D	88.4	Confident	86	Confident	2 Å²	2	35 Å²	35	1%	0.011	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.3	-173.9	-176.5	43.5	0	0	0	110.8	I76 K84 V88 G108 G109	I76-D128 HydrophobicContact CB-CB 4.43Å; I76-D128 WeakPolarHBondContact CG2-OD1 3.49Å; K84-D128 VanDerWaalsContact CD-OD1 3.31Å; K84-D128 WeakPolarHBondContact CD-OD1 3.26Å; K84-D128 WeakPolarHBondContact CG-OD1 3.34Å; K84-D128 IonicContact NZ-OD1 3.08Å; K84-D128 IonicContact NZ-OD2 2.71Å; K84-D128 PolarHBondContact NZ-OD2 2.67Å; V88-D128 HydrophobicContact CG2-CB 4.19Å; G108-D128 CarbonylContact C-O 3.45Å; G108-D128 WeakPolarHBondContact CA-O 3.34Å; G109-D128 PolarHBondContact N-O 2.87Å; G109-D128 WeakPolarHBondContact O-CB 3.24Å; G109-D128 PolarHBondContact O-N 3.5Å
129	E	79.2	Confident	86	Confident	24 Å²	24	35.6 Å²	35.6	11%	0.112	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.2	-177.1	-64.5	-76.7	151.5	0	0	110	I76 G78 R127 G131 F137	I76-E129 PolarHBondContact O-N 2.67Å; G78-E129 PolarHBondContact N-O 2.74Å; R127-E129 IonicContact CZ-OE1 2.8Å; R127-E129 IonicContact NE-OE1 3.16Å; R127-E129 PolarHBondContact NE-OE1 3.26Å; R127-E129 IonicContact NH2-OE1 3.24Å; R127-E129 PolarHBondContact NH2-OE1 3.16Å; E129-G131 VanDerWaalsContact C-N 3.31Å; E129-F137 HydrophobicContact CB-CE2 4.48Å; E129-F137 HydrophobicContact CG-CD2 3.46Å; E129-F137 VanDerWaalsContact CG-CD2 3.46Å; E129-F137 HydrophobicContact CG-CE2 3.34Å; E129-F137 HydrophobicContact CG-CG 4.11Å; E129-F137 HydrophobicContact CG-CZ 3.9Å
130	G	69.3	Low	86.3	Confident	25 Å²	25	36.4 Å²	36.4	26%	0.258	20%	0.196	S	C	.	.	S	Bend	trans	-79.8	-14.1	166	0	0	0	0	0	114	G78 K84	G78-G130 WeakPolarHBondContact O-CA 3.36Å; K84-G130 VanDerWaalsContact CE-CA 3.44Å
131	G	77.6	Confident	86.6	Confident	28 Å²	28	33 Å²	33	29%	0.289	18%	0.18	S	C	.	.	S	Bend	trans	-99.1	171.8	-177.9	0	0	0	0	0	114.3	E129	E129-G131 VanDerWaalsContact C-N 3.31Å
132	P	83.9	Confident	86.8	Confident	52 Å²	52	33.9 Å²	33.9	34%	0.338	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-68.6	122.6	176.9	-14.3	29	0	0	0	111.1	E134 Y162 R165	P132-E134 PolarHBondContact O-N 2.73Å; P132-Y162 VanDerWaalsContact CA-CE1 3.44Å; P132-Y162 HydrophobicContact CB-CD1 3.97Å; P132-Y162 HydrophobicContact CB-CE1 3.54Å; P132-Y162 HydrophobicContact CG-CE1 3.71Å; P132-R165 PolarHBondContact O-NE 2.85Å; P132-R165 PolarHBondContact O-NH2 2.67Å; P132-R165 VanDerWaalsContact O-NH2 3.09Å
133	P	87.4	Confident	87.1	Confident	1 Å²	1	33 Å²	33	1%	0.006	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-58.4	137.7	-164.5	21.6	-34.3	0	0	0	113.1	V77 F137 Y162 R165 M166 Y169	V77-P133 HydrophobicContact CG1-CG 4.25Å; P133-F137 HydrophobicContact CB-CD1 3.8Å; P133-F137 HydrophobicContact CB-CE1 4.08Å; P133-Y162 WeakPolarHBondContact CG-O 3.44Å; P133-R165 WeakPolarHBondContact O-CD 3.48Å; P133-R165 PolarHBondContact O-NE 2.81Å; P133-M166 HydrophobicContact CG-CB 4.39Å; P133-Y169 WeakPolarHBondContact O-CE2 3.43Å
134	E	87.4	Confident	87.4	Confident	97 Å²	97	32.9 Å²	32.9	45%	0.453	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-94.9	167.9	-177.3	-60.2	-151.5	138.1	0	0	114.1	P132 Q136 F137 A138	P132-E134 PolarHBondContact O-N 2.73Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.33Å; E134-F137 PolarHBondContact O-N 3.39Å; E134-A138 WeakPolarHBondContact O-CB 3.29Å; E134-A138 PolarHBondContact O-N 2.99Å
135	A	86.3	Confident	87.6	Confident	44 Å²	44	32.8 Å²	32.8	36%	0.364	18%	0.179	S	C	.	.	H	α-helix	trans	-58.6	-41.1	174.4	0	0	0	0	0	112.8	A138 M139 Y169	A135-A138 PolarHBondContact O-N 3.44Å; A135-M139 WeakPolarHBondContact O-CG 3.41Å; A135-M139 PolarHBondContact O-N 3.49Å; A135-M139 VanDerWaalsContact O-N 3.1Å; A135-Y169 HydrophobicContact CB-CD1 3.66Å; A135-Y169 HydrophobicContact CB-CD2 4.35Å; A135-Y169 HydrophobicContact CB-CE1 3.87Å; A135-Y169 HydrophobicContact CB-CG 3.93Å
136	Q	84.4	Confident	87.9	Confident	146 Å²	146	32 Å²	32	68%	0.682	18%	0.175	S	C	*	.	H	α-helix	trans	-63.3	-47.8	178.3	-60.4	-167.2	27.4	0	0	111.2	E134 M139 W140	E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.33Å; Q136-M139 PolarHBondContact O-N 2.91Å; Q136-W140 WeakPolarHBondContact O-CB 3.39Å; Q136-W140 PolarHBondContact O-N 3.44Å
137	F	88.1	Confident	88.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-50	175.9	174.2	-92.1	0	0	0	111.8	G75 V77 R127 E129 P133 E134 M139 W140 V141 V144	G75-F137 VanDerWaalsContact CA-CZ 3.45Å; V77-F137 HydrophobicContact CG2-CE1 3.5Å; V77-F137 VanDerWaalsContact CG2-CE1 3.5Å; V77-F137 HydrophobicContact CG2-CZ 3.38Å; R127-F137 HydrophobicContact CB-CE2 4.46Å; R127-F137 HydrophobicContact CG-CD2 4.25Å; R127-F137 HydrophobicContact CG-CE2 4.23Å; E129-F137 HydrophobicContact CB-CE2 4.48Å; E129-F137 HydrophobicContact CG-CD2 3.46Å; E129-F137 VanDerWaalsContact CG-CD2 3.46Å; E129-F137 HydrophobicContact CG-CE2 3.34Å; E129-F137 HydrophobicContact CG-CG 4.11Å; E129-F137 HydrophobicContact CG-CZ 3.9Å; P133-F137 HydrophobicContact CB-CD1 3.8Å; P133-F137 HydrophobicContact CB-CE1 4.08Å; E134-F137 PolarHBondContact O-N 3.39Å; F137-M139 PolarHBondContact O-N 3.41Å; F137-W140 PolarHBondContact O-N 2.76Å; F137-V141 HydrophobicContact CD1-CG1 4.42Å; F137-V141 HydrophobicContact CD2-CG1 4.3Å; F137-V141 HydrophobicContact CE1-CG1 4.09Å; F137-V141 HydrophobicContact CE2-CG1 3.96Å; F137-V141 HydrophobicContact CZ-CG1 3.87Å; F137-V141 PolarHBondContact O-N 2.77Å; F137-V141 VanDerWaalsContact O-N 3.16Å; F137-V144 HydrophobicContact CE1-CG2 4.17Å; F137-V144 HydrophobicContact CZ-CG2 4.45Å
138	A	89.6	Confident	88.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-30.8	-179.2	0	0	0	0	0	113.1	E134 A135 M166 Y169 R170	E134-A138 WeakPolarHBondContact O-CB 3.29Å; E134-A138 PolarHBondContact O-N 2.99Å; A135-A138 PolarHBondContact O-N 3.44Å; A138-M166 HydrophobicContact CB-CE 4.23Å; A138-M166 HydrophobicContact CB-CG 4.09Å; A138-Y169 HydrophobicContact CB-CD2 4.46Å; A138-R170 WeakPolarHBondContact O-CD 3.23Å; A138-R170 PolarHBondContact O-NH1 3.43Å
139	M	87	Confident	88.8	Confident	125 Å²	125	30.7 Å²	30.7	62%	0.616	17%	0.171	S	C	*	.	H	α-helix	trans	-84.6	-24.6	174.8	-65.9	-57.6	-63.2	0	0	113.8	A135 Q136 F137 R170	A135-M139 WeakPolarHBondContact O-CG 3.41Å; A135-M139 PolarHBondContact O-N 3.49Å; A135-M139 VanDerWaalsContact O-N 3.1Å; Q136-M139 PolarHBondContact O-N 2.91Å; F137-M139 PolarHBondContact O-N 3.41Å; M139-R170 HydrophobicContact SD-CB 4.22Å; M139-R170 HydrophobicContact SD-CG 4.23Å
140	W	88	Confident	89.6	Confident	62 Å²	62	29.6 Å²	29.6	24%	0.235	17%	0.165	C	C	.	.	H	α-helix	trans	-78	-36.5	-179.6	177.9	95.9	0	0	0	113.6	K73 L125 R127 Q136 F137	K73-W140 HydrophobicContact CB-CD2 4.29Å; K73-W140 HydrophobicContact CB-CE3 4.03Å; K73-W140 HydrophobicContact CB-CH2 3.9Å; K73-W140 HydrophobicContact CB-CZ2 4.17Å; K73-W140 HydrophobicContact CB-CZ3 3.82Å; K73-W140 HydrophobicContact CD-CD2 4.03Å; K73-W140 HydrophobicContact CD-CG 4.34Å; K73-W140 HydrophobicContact CD-CZ2 4.09Å; K73-W140 WeakPolarHBondContact CD-O 3.31Å; K73-W140 HydrophobicContact CG-CD2 4.42Å; K73-W140 HydrophobicContact CG-CH2 4.1Å; K73-W140 HydrophobicContact CG-CZ2 3.89Å; K73-W140 HydrophobicContact CG-CZ3 4.45Å; L125-W140 HydrophobicContact CB-CH2 3.96Å; L125-W140 HydrophobicContact CB-CZ2 4Å; L125-W140 HydrophobicContact CD1-CZ2 4.41Å; R127-W140 HydrophobicContact CB-CE3 4.45Å; R127-W140 HydrophobicContact CB-CH2 3.84Å; R127-W140 HydrophobicContact CB-CZ3 3.67Å; Q136-W140 WeakPolarHBondContact O-CB 3.39Å; Q136-W140 PolarHBondContact O-N 3.44Å; F137-W140 PolarHBondContact O-N 2.76Å
141	V	92.3	Very high	90.7	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.161	C	C	.	.			trans	-69.9	142.7	-175.2	-66.2	0	0	0	0	113.8	F137 V144 M166 R170	F137-V141 HydrophobicContact CD1-CG1 4.42Å; F137-V141 HydrophobicContact CD2-CG1 4.3Å; F137-V141 HydrophobicContact CE1-CG1 4.09Å; F137-V141 HydrophobicContact CE2-CG1 3.96Å; F137-V141 HydrophobicContact CZ-CG1 3.87Å; F137-V141 PolarHBondContact O-N 2.77Å; F137-V141 VanDerWaalsContact O-N 3.16Å; V141-V144 HydrophobicContact CB-CG2 4.18Å; V141-V144 HydrophobicContact CG1-CG2 4.17Å; V141-V144 HydrophobicContact CG2-CG2 3.79Å; V141-M166 HydrophobicContact CG2-CE 3.67Å; V141-R170 PolarHBondContact O-NH1 2.85Å
142	D	93.6	Very high	91.4	Very high	32 Å²	32	30.2 Å²	30.2	17%	0.171	16%	0.155	C	C	.	.	S	Bend	trans	-83.3	-35	160.4	-71.3	-83.5	0	0	0	111.6	K73 P176 I233 R237	K73-D142 WeakPolarHBondContact CB-OD2 3.06Å; K73-D142 PolarHBondContact N-OD2 2.87Å; K73-D142 WeakPolarHBondContact O-CA 3.48Å; K73-D142 WeakPolarHBondContact O-CB 3.24Å; K73-D142 PolarHBondContact O-N 2.78Å; D142-P176 WeakPolarHBondContact O-CD 3.33Å; D142-I233 HydrophobicContact CB-CB 4.3Å; D142-I233 HydrophobicContact CB-CD1 3.73Å; D142-I233 HydrophobicContact CB-CG1 3.73Å; D142-I233 HydrophobicContact CB-CG2 3.57Å; D142-R237 IonicContact OD1-CZ 3.24Å; D142-R237 VanDerWaalsContact OD1-CZ 3.24Å; D142-R237 IonicContact OD1-NE 2.97Å; D142-R237 PolarHBondContact OD1-NE 2.66Å; D142-R237 IonicContact OD1-NH2 2.78Å; D142-R237 PolarHBondContact OD1-NH2 2.85Å; D142-R237 IonicContact OD2-CZ 3.74Å; D142-R237 IonicContact OD2-NH2 2.75Å; D142-R237 PolarHBondContact OD2-NH2 2.69Å
143	A	95.4	Very high	91.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.6	179.8	0	0	0	0	0	112.3	K73 G75 P176 V229 I233	K73-A143 PolarHBondContact O-N 3.03Å; G75-A143 PolarHBondContact N-O 2.94Å; A143-P176 WeakPolarHBondContact CA-O 3.48Å; A143-P176 HydrophobicContact CB-CB 4.06Å; A143-P176 HydrophobicContact CB-CG 4.31Å; A143-P176 WeakPolarHBondContact CB-O 3.29Å; A143-V229 HydrophobicContact CB-CG1 3.65Å; A143-I233 HydrophobicContact CB-CD1 3.79Å; A143-I233 HydrophobicContact CB-CG1 3.6Å
144	V	95.4	Very high	92.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.1	178.5	172.9	0	0	0	0	112.7	G75 V77 F137 V141 F146 M166 P176 L177 V178	G75-V144 WeakPolarHBondContact O-CA 3.41Å; V77-V144 HydrophobicContact CB-CG1 4.15Å; V77-V144 HydrophobicContact CG2-CG1 3.74Å; F137-V144 HydrophobicContact CE1-CG2 4.17Å; F137-V144 HydrophobicContact CZ-CG2 4.45Å; V141-V144 HydrophobicContact CB-CG2 4.18Å; V141-V144 HydrophobicContact CG1-CG2 4.17Å; V141-V144 HydrophobicContact CG2-CG2 3.79Å; V144-F146 HydrophobicContact CG1-CD1 4.49Å; V144-F146 HydrophobicContact CG1-CD2 4.07Å; V144-F146 HydrophobicContact CG1-CE1 4.28Å; V144-F146 HydrophobicContact CG1-CE2 3.85Å; V144-F146 HydrophobicContact CG1-CG 4.39Å; V144-F146 HydrophobicContact CG1-CZ 3.95Å; V144-M166 HydrophobicContact CB-CE 4.49Å; V144-M166 HydrophobicContact CB-SD 4.44Å; V144-M166 HydrophobicContact CG2-CE 3.49Å; V144-M166 VanDerWaalsContact CG2-CE 3.49Å; V144-M166 HydrophobicContact CG2-SD 3.95Å; V144-P176 PolarHBondContact N-O 3.36Å; V144-P176 VanDerWaalsContact N-O 3.09Å; V144-L177 HydrophobicContact CB-CD2 3.98Å; V144-L177 WeakPolarHBondContact O-CA 3.36Å; V144-V178 PolarHBondContact O-N 3.02Å
145	I	96.8	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	114.1	168.4	-55.1	171.7	0	0	0	107.7	V74 G75 I76 V77 V147 V178 V180 V225 F226 V229	V74-I145 HydrophobicContact CG1-CD1 3.81Å; V74-I145 HydrophobicContact CG1-CG1 4.09Å; G75-I145 PolarHBondContact O-N 3.06Å; I76-I145 WeakPolarHBondContact CA-O 3.23Å; I76-I145 HydrophobicContact CG1-CB 4.4Å; I76-I145 HydrophobicContact CG1-CD1 4.21Å; V77-I145 PolarHBondContact N-O 3.28Å; I145-V147 HydrophobicContact CG2-CG2 3.87Å; I145-V178 WeakPolarHBondContact CA-O 3.32Å; I145-V180 HydrophobicContact CG2-CB 4.3Å; I145-V180 HydrophobicContact CG2-CG2 3.57Å; I145-V225 HydrophobicContact CD1-CG1 3.82Å; I145-V225 HydrophobicContact CG1-CG1 4.28Å; I145-V225 HydrophobicContact CG2-CG1 4.18Å; I145-F226 HydrophobicContact CD1-CD1 4.15Å; I145-F226 HydrophobicContact CD1-CE1 3.93Å; I145-F226 HydrophobicContact CD1-CZ 4.21Å; I145-V229 HydrophobicContact CD1-CG2 4.06Å; I145-V229 HydrophobicContact CG1-CG2 3.77Å
146	F	96.1	Very high	92.9	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.9	168.3	-72.3	-75.7	0	0	0	109.5	V77 V144 V159 Y163 M166 L177 V178 L179 V180 L206	V77-F146 HydrophobicContact CB-CD1 4.01Å; V77-F146 HydrophobicContact CB-CE1 4.14Å; V77-F146 HydrophobicContact CG1-CD1 3.78Å; V77-F146 HydrophobicContact CG1-CE1 3.66Å; V77-F146 WeakPolarHBondContact O-CA 3.4Å; V144-F146 HydrophobicContact CG1-CD1 4.49Å; V144-F146 HydrophobicContact CG1-CD2 4.07Å; V144-F146 HydrophobicContact CG1-CE1 4.28Å; V144-F146 HydrophobicContact CG1-CE2 3.85Å; V144-F146 HydrophobicContact CG1-CG 4.39Å; V144-F146 HydrophobicContact CG1-CZ 3.95Å; F146-V159 HydrophobicContact CB-CG1 3.76Å; F146-V159 HydrophobicContact CB-CG2 4.3Å; F146-V159 HydrophobicContact CD1-CG1 4.06Å; F146-V159 HydrophobicContact CG-CG1 3.97Å; F146-Y163 HydrophobicContact CE2-CD2 4.1Å; F146-Y163 HydrophobicContact CZ-CD2 4.23Å; F146-M166 HydrophobicContact CZ-SD 4.31Å; F146-L177 HydrophobicContact CE2-CD1 4.29Å; F146-L177 HydrophobicContact CE2-CD2 4.05Å; F146-V178 PolarHBondContact N-O 3.42Å; F146-L179 HydrophobicContact CB-CD1 4.05Å; F146-V180 PolarHBondContact O-N 2.96Å; F146-L206 HydrophobicContact CD2-CD2 3.62Å; F146-L206 HydrophobicContact CE2-CD2 3.98Å; F146-L206 HydrophobicContact CG-CD2 4.15Å
147	V	96.1	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136	-176.7	-166.2	0	0	0	0	110.1	I76 V77 S82 K84 L87 I145 V180 T182	I76-V147 HydrophobicContact CG2-CG2 3.66Å; V77-V147 PolarHBondContact O-N 2.94Å; S82-V147 WeakPolarHBondContact CB-O 3.31Å; S82-V147 WeakPolarHBondContact O-CG1 3.49Å; K84-V147 HydrophobicContact CB-CB 4.17Å; K84-V147 HydrophobicContact CB-CG1 4.34Å; K84-V147 HydrophobicContact CB-CG2 4.24Å; L87-V147 HydrophobicContact CD2-CG1 4.35Å; L87-V147 HydrophobicContact CD2-CG2 4.06Å; I145-V147 HydrophobicContact CG2-CG2 3.87Å; V147-V180 WeakPolarHBondContact CA-O 3.34Å; V147-V180 HydrophobicContact CG1-CG1 4.43Å; V147-V180 HydrophobicContact CG2-CB 4.48Å; V147-T182 HydrophobicContact CG1-CG2 3.66Å
148	F	95.9	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.5	169.7	71.7	-85.7	0	0	0	109.7	S82 L150 S155 F156 V159 L179 V180 G181 T182 I194 A199 L202 Y211	S82-F148 CarbonylContact O-C 3.6Å; F148-L150 HydrophobicContact CE2-CD2 3.86Å; F148-L150 HydrophobicContact CE2-CG 4.29Å; F148-L150 HydrophobicContact CZ-CD2 4.28Å; F148-S155 WeakPolarHBondContact CB-OG 3.41Å; F148-F156 HydrophobicContact CD1-CD2 4.48Å; F148-F156 HydrophobicContact CD2-CB 4.03Å; F148-F156 AromaticContact CD2-CD2 3.73Å; F148-F156 HydrophobicContact CD2-CD2 3.73Å; F148-F156 HydrophobicContact CD2-CG 4.39Å; F148-F156 HydrophobicContact CE1-CD2 4.37Å; F148-F156 AromaticContact CE2-CD2 3.61Å; F148-F156 HydrophobicContact CE2-CD2 3.61Å; F148-F156 HydrophobicContact CE2-CE2 4.3Å; F148-F156 HydrophobicContact CG-CB 4.48Å; F148-F156 HydrophobicContact CG-CD2 4.18Å; F148-F156 AromaticContact CZ-CD2 3.95Å; F148-F156 HydrophobicContact CZ-CD2 3.95Å; F148-F156 HydrophobicContact CZ-CE2 4.27Å; F148-V159 HydrophobicContact CB-CG2 4.01Å; F148-V159 HydrophobicContact CD1-CG2 4.46Å; F148-L179 HydrophobicContact CD1-CD1 3.86Å; F148-L179 HydrophobicContact CD1-CG 4.41Å; F148-L179 HydrophobicContact CE1-CD1 3.82Å; F148-L179 HydrophobicContact CE1-CD2 4.2Å; F148-L179 HydrophobicContact CE1-CG 3.89Å; F148-V180 WeakPolarHBondContact CD1-O 3.39Å; F148-V180 PolarHBondContact N-O 3.33Å; F148-G181 CarbonylContact O-C 3.56Å; F148-G181 VanDerWaalsContact O-CA 3.31Å; F148-G181 WeakPolarHBondContact O-CA 3.33Å; F148-T182 PolarHBondContact O-N 3.01Å; F148-T182 PolarHBondContact O-OG1 3.36Å; F148-I194 HydrophobicContact CE2-CB 4.24Å; F148-I194 HydrophobicContact CE2-CG1 4.25Å; F148-I194 HydrophobicContact CE2-CG2 3.91Å; F148-I194 HydrophobicContact CZ-CG2 4.45Å; F148-A199 HydrophobicContact CZ-CB 3.95Å; F148-L202 HydrophobicContact CD1-CD2 4.39Å; F148-L202 HydrophobicContact CE1-CD2 4.26Å; F148-Y211 HydrophobicContact CE1-CE2 4Å; F148-Y211 AromaticContact CZ-CE2 3.91Å; F148-Y211 HydrophobicContact CZ-CE2 3.91Å
149	S	95.2	Very high	93.9	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.3	173.5	-177.4	0	0	0	0	111.3	A81 E151 D152 S155 T182	A81-S149 VanDerWaalsContact O-CB 3.27Å; A81-S149 WeakPolarHBondContact O-CB 3.2Å; S149-E151 PolarHBondContact O-N 3.46Å; S149-E151 WeakPolarHBondContact OG-CG 3.47Å; S149-D152 PolarHBondContact O-N 3.14Å; S149-S155 PolarHBondContact N-OG 3.46Å; S149-S155 PolarHBondContact O-OG 3.06Å; S149-T182 VanDerWaalsContact CA-OG1 3.3Å; S149-T182 WeakPolarHBondContact CA-OG1 3.37Å
150	L	95.7	Very high	94	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-72.1	-7.8	-176.5	-77.2	163.2	0	0	0	113.9	F148 T182 Q183 I186 R192 V193 I194 E213	F148-L150 HydrophobicContact CE2-CD2 3.86Å; F148-L150 HydrophobicContact CE2-CG 4.29Å; F148-L150 HydrophobicContact CZ-CD2 4.28Å; L150-T182 VanDerWaalsContact CB-O 3.31Å; L150-T182 WeakPolarHBondContact CB-O 3.47Å; L150-T182 WeakPolarHBondContact CD1-O 3.29Å; L150-T182 WeakPolarHBondContact CG-O 3.46Å; L150-T182 PolarHBondContact N-O 3.2Å; L150-Q183 HydrophobicContact CD1-CG 3.57Å; L150-I186 HydrophobicContact CB-CD1 3.94Å; L150-R192 HydrophobicContact CB-CG 4.36Å; L150-V193 PolarHBondContact O-N 2.9Å; L150-I194 HydrophobicContact CD2-CB 4.02Å; L150-I194 HydrophobicContact CD2-CG2 4.32Å; L150-I194 WeakPolarHBondContact CD2-O 3.4Å; L150-I194 PolarHBondContact O-N 2.96Å; L150-E213 HydrophobicContact CD1-CB 4.46Å; L150-E213 HydrophobicContact CD1-CG 4.02Å
151	E	93.4	Very high	94.2	Very high	35 Å²	35	29.6 Å²	29.6	16%	0.164	14%	0.142	C	C	.	.	S	Bend	trans	-101.4	-25.8	171.3	72.8	-155.3	-144.6	0	0	113.3	S149 A185 I186 N190 V193	S149-E151 PolarHBondContact O-N 3.46Å; S149-E151 WeakPolarHBondContact OG-CG 3.47Å; E151-A185 VanDerWaalsContact OE1-CB 3.24Å; E151-A185 WeakPolarHBondContact OE1-CB 3.44Å; E151-A185 WeakPolarHBondContact OE2-CB 3.31Å; E151-I186 PolarHBondContact OE2-N 3.37Å; E151-I186 VanDerWaalsContact OE2-N 3.15Å; E151-N190 PolarHBondContact OE1-ND2 3.45Å; E151-V193 VanDerWaalsContact O-CG2 3.24Å; E151-V193 WeakPolarHBondContact O-CG2 3.38Å
152	D	92.1	Very high	94.3	Very high	31 Å²	31	30.5 Å²	30.5	17%	0.166	15%	0.145	C	C	.	.			trans	-97.6	103.4	-177.5	177.9	29	0	0	0	112.5	N79 S149 I154 S155 F156	N79-D152 PolarHBondContact ND2-OD2 2.91Å; S149-D152 PolarHBondContact O-N 3.14Å; D152-I154 PolarHBondContact O-N 2.83Å; D152-I154 VanDerWaalsContact OD1-CB 3.29Å; D152-I154 WeakPolarHBondContact OD1-CB 3.3Å; D152-I154 PolarHBondContact OD1-N 3.15Å; D152-S155 PolarHBondContact O-N 2.72Å; D152-S155 PolarHBondContact O-OG 3.44Å; D152-S155 WeakPolarHBondContact OD2-CB 3.33Å; D152-S155 PolarHBondContact OD2-N 3.04Å; D152-F156 PolarHBondContact O-N 2.76Å
153	E	93.2	Very high	94.3	Very high	53 Å²	53	30.7 Å²	30.7	25%	0.248	14%	0.144	C	C	.	.	H	α-helix	trans	-56.8	-30.2	172.1	-177	63.8	-134.2	0	0	113.3	F156 Q157 V193 I194 R198	E153-F156 PolarHBondContact O-N 3Å; E153-Q157 WeakPolarHBondContact O-CG 3.23Å; E153-Q157 PolarHBondContact O-N 3.01Å; E153-Q157 VanDerWaalsContact O-N 3.07Å; E153-Q157 PolarHBondContact OE1-NE2 2.91Å; E153-V193 HydrophobicContact CB-CG1 4.49Å; E153-I194 VanDerWaalsContact OE2-CD1 3.3Å; E153-I194 WeakPolarHBondContact OE2-CD1 3.3Å; E153-R198 IonicContact OE1-CZ 3.89Å; E153-R198 IonicContact OE1-NH2 2.76Å; E153-R198 PolarHBondContact OE1-NH2 3.49Å; E153-R198 IonicContact OE2-CZ 3.2Å; E153-R198 IonicContact OE2-NH1 2.76Å; E153-R198 PolarHBondContact OE2-NH1 2.94Å; E153-R198 IonicContact OE2-NH2 2.75Å; E153-R198 PolarHBondContact OE2-NH2 2.63Å
154	I	93.6	Very high	94.1	Very high	115 Å²	115	33.8 Å²	33.8	59%	0.59	17%	0.166	S	C	*	.	H	α-helix	trans	-71.4	-44.3	179.7	-55.9	177.4	0	0	0	110.1	D152 F156 Q157 T158	D152-I154 PolarHBondContact O-N 2.83Å; D152-I154 VanDerWaalsContact OD1-CB 3.29Å; D152-I154 WeakPolarHBondContact OD1-CB 3.3Å; D152-I154 PolarHBondContact OD1-N 3.15Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.45Å; I154-Q157 PolarHBondContact O-N 2.86Å; I154-T158 WeakPolarHBondContact O-CB 3.46Å; I154-T158 PolarHBondContact O-N 2.91Å; I154-T158 PolarHBondContact O-OG1 2.82Å
155	S	93.8	Very high	93.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-44.1	173.5	74.4	0	0	0	0	111.8	N79 F148 S149 D152 Q157 T158 V159	N79-S155 WeakPolarHBondContact ND2-CA 3.27Å; N79-S155 WeakPolarHBondContact OD1-CA 3.24Å; N79-S155 WeakPolarHBondContact OD1-CB 3.37Å; F148-S155 WeakPolarHBondContact CB-OG 3.41Å; S149-S155 PolarHBondContact N-OG 3.46Å; S149-S155 PolarHBondContact O-OG 3.06Å; D152-S155 PolarHBondContact O-N 2.72Å; D152-S155 PolarHBondContact O-OG 3.44Å; D152-S155 WeakPolarHBondContact OD2-CB 3.33Å; D152-S155 PolarHBondContact OD2-N 3.04Å; S155-Q157 PolarHBondContact O-N 3.35Å; S155-T158 WeakPolarHBondContact O-CB 3.09Å; S155-T158 PolarHBondContact O-N 3.2Å; S155-V159 PolarHBondContact O-N 2.78Å
156	F	95.5	Very high	93.6	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.039	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-42.9	178.8	-179.8	-101.8	0	0	0	112.3	F148 D152 E153 I154 Y160 I194 R198 L202	F148-F156 HydrophobicContact CD1-CD2 4.48Å; F148-F156 HydrophobicContact CD2-CB 4.03Å; F148-F156 AromaticContact CD2-CD2 3.73Å; F148-F156 HydrophobicContact CD2-CD2 3.73Å; F148-F156 HydrophobicContact CD2-CG 4.39Å; F148-F156 HydrophobicContact CE1-CD2 4.37Å; F148-F156 AromaticContact CE2-CD2 3.61Å; F148-F156 HydrophobicContact CE2-CD2 3.61Å; F148-F156 HydrophobicContact CE2-CE2 4.3Å; F148-F156 HydrophobicContact CG-CB 4.48Å; F148-F156 HydrophobicContact CG-CD2 4.18Å; F148-F156 AromaticContact CZ-CD2 3.95Å; F148-F156 HydrophobicContact CZ-CD2 3.95Å; F148-F156 HydrophobicContact CZ-CE2 4.27Å; D152-F156 PolarHBondContact O-N 2.76Å; E153-F156 PolarHBondContact O-N 3Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.45Å; F156-Y160 HydrophobicContact CE1-CE2 4.23Å; F156-I194 HydrophobicContact CB-CD1 3.72Å; F156-I194 HydrophobicContact CB-CG1 4Å; F156-I194 HydrophobicContact CD1-CD1 3.88Å; F156-I194 HydrophobicContact CD2-CD1 4.18Å; F156-I194 HydrophobicContact CD2-CG1 4.17Å; F156-I194 HydrophobicContact CD2-CG2 3.72Å; F156-I194 HydrophobicContact CE2-CG2 3.71Å; F156-I194 HydrophobicContact CG-CD1 3.65Å; F156-I194 HydrophobicContact CG-CG1 4.06Å; F156-I194 HydrophobicContact CG-CG2 4.3Å; F156-I194 HydrophobicContact CZ-CG2 4.3Å; F156-R198 HydrophobicContact CZ-CB 4.1Å; F156-L202 HydrophobicContact CD2-CD2 3.72Å; F156-L202 HydrophobicContact CE2-CB 3.9Å; F156-L202 HydrophobicContact CE2-CD2 3.39Å; F156-L202 HydrophobicContact CE2-CG 4.25Å; F156-L202 HydrophobicContact CZ-CB 3.96Å; F156-L202 HydrophobicContact CZ-CD2 4.05Å
157	Q	93.9	Very high	93.3	Very high	113 Å²	113	39.2 Å²	39.2	53%	0.528	20%	0.195	S	C	.	.	H	α-helix	trans	-71.4	-33.7	176.3	-68.5	179.7	24.7	0	0	112.4	E153 I154 S155 V159 Y160	E153-Q157 WeakPolarHBondContact O-CG 3.23Å; E153-Q157 PolarHBondContact O-N 3.01Å; E153-Q157 VanDerWaalsContact O-N 3.07Å; E153-Q157 PolarHBondContact OE1-NE2 2.91Å; I154-Q157 PolarHBondContact O-N 2.86Å; S155-Q157 PolarHBondContact O-N 3.35Å; Q157-V159 VanDerWaalsContact C-N 3.27Å; Q157-V159 PolarHBondContact O-N 2.89Å; Q157-Y160 PolarHBondContact O-N 2.82Å
158	T	93.5	Very high	93.1	Very high	25 Å²	25	45.4 Å²	45.4	15%	0.153	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-35.1	179	-60.2	0	0	0	0	112	N79 I154 S155 Y160 H161 Y162	N79-T158 HydrophobicContact CB-CG2 4.37Å; I154-T158 WeakPolarHBondContact O-CB 3.46Å; I154-T158 PolarHBondContact O-N 2.91Å; I154-T158 PolarHBondContact O-OG1 2.82Å; S155-T158 WeakPolarHBondContact O-CB 3.09Å; S155-T158 PolarHBondContact O-N 3.2Å; T158-Y160 VanDerWaalsContact C-N 3.32Å; T158-Y160 PolarHBondContact O-N 3.5Å; T158-H161 PolarHBondContact O-N 2.89Å; T158-Y162 HydrophobicContact CG2-CD1 3.86Å; T158-Y162 HydrophobicContact CG2-CD2 3.78Å; T158-Y162 HydrophobicContact CG2-CE1 3.49Å; T158-Y162 VanDerWaalsContact CG2-CE1 3.49Å; T158-Y162 HydrophobicContact CG2-CE2 3.48Å; T158-Y162 VanDerWaalsContact CG2-CE2 3.48Å; T158-Y162 HydrophobicContact CG2-CG 4Å; T158-Y162 PolarHBondContact O-N 2.51Å
159	V	94.7	Very high	92.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-40.3	175.9	172.7	0	0	0	0	112.6	F146 F148 S155 Q157 H161 Y162 Y163 L179 L202 L206	F146-V159 HydrophobicContact CB-CG1 3.76Å; F146-V159 HydrophobicContact CB-CG2 4.3Å; F146-V159 HydrophobicContact CD1-CG1 4.06Å; F146-V159 HydrophobicContact CG-CG1 3.97Å; F148-V159 HydrophobicContact CB-CG2 4.01Å; F148-V159 HydrophobicContact CD1-CG2 4.46Å; S155-V159 PolarHBondContact O-N 2.78Å; Q157-V159 VanDerWaalsContact C-N 3.27Å; Q157-V159 PolarHBondContact O-N 2.89Å; V159-H161 VanDerWaalsContact C-N 3.34Å; V159-H161 PolarHBondContact O-N 2.69Å; V159-Y162 PolarHBondContact O-N 3.49Å; V159-Y163 VanDerWaalsContact O-CB 3.29Å; V159-Y163 WeakPolarHBondContact O-CB 3.41Å; V159-Y163 PolarHBondContact O-N 2.86Å; V159-L179 HydrophobicContact CG1-CD1 3.95Å; V159-L202 HydrophobicContact CB-CD2 4.31Å; V159-L202 HydrophobicContact CG1-CD1 4.18Å; V159-L202 HydrophobicContact CG1-CD2 4.09Å; V159-L206 HydrophobicContact CG1-CD2 3.97Å
160	Y	90.7	Very high	92.6	Very high	84 Å²	84	52.5 Å²	52.5	33%	0.329	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-42.1	175.2	-75.2	-79.1	0	0	0	111.8	F156 Q157 T158 S164 L202 D205	F156-Y160 HydrophobicContact CE1-CE2 4.23Å; Q157-Y160 PolarHBondContact O-N 2.82Å; T158-Y160 VanDerWaalsContact C-N 3.32Å; T158-Y160 PolarHBondContact O-N 3.5Å; Y160-S164 VanDerWaalsContact O-CB 3.32Å; Y160-S164 WeakPolarHBondContact O-CB 3.46Å; Y160-S164 PolarHBondContact O-N 3.42Å; Y160-L202 HydrophobicContact CD1-CD1 3.85Å; Y160-L202 HydrophobicContact CD2-CD1 3.83Å; Y160-L202 HydrophobicContact CE1-CD1 3.55Å; Y160-L202 HydrophobicContact CE2-CD1 3.53Å; Y160-L202 HydrophobicContact CG-CD1 3.99Å; Y160-D205 HydrophobicContact CE1-CB 4.35Å
161	H	91.9	Very high	92.2	Very high	114 Å²	114	55.8 Å²	55.8	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-45	179	-174.9	70.3	0	0	0	111.4	T158 V159 S164 R165	T158-H161 PolarHBondContact O-N 2.89Å; V159-H161 VanDerWaalsContact C-N 3.34Å; V159-H161 PolarHBondContact O-N 2.69Å; H161-S164 PolarHBondContact O-N 3.2Å; H161-R165 WeakPolarHBondContact O-CB 3.23Å; H161-R165 PolarHBondContact O-N 2.91Å
162	Y	93.4	Very high	91.8	Very high	21 Å²	21	54.5 Å²	54.5	8%	0.082	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-38.3	-179.5	-70.3	2.3	0	0	0	112.1	V77 P132 P133 T158 V159 R165 M166	V77-Y162 HydrophobicContact CG1-CD2 3.49Å; V77-Y162 VanDerWaalsContact CG1-CD2 3.49Å; V77-Y162 HydrophobicContact CG1-CE2 4.41Å; V77-Y162 HydrophobicContact CG1-CG 4.07Å; P132-Y162 VanDerWaalsContact CA-CE1 3.44Å; P132-Y162 HydrophobicContact CB-CD1 3.97Å; P132-Y162 HydrophobicContact CB-CE1 3.54Å; P132-Y162 HydrophobicContact CG-CE1 3.71Å; P133-Y162 WeakPolarHBondContact CG-O 3.44Å; T158-Y162 HydrophobicContact CG2-CD1 3.86Å; T158-Y162 HydrophobicContact CG2-CD2 3.78Å; T158-Y162 HydrophobicContact CG2-CE1 3.49Å; T158-Y162 VanDerWaalsContact CG2-CE1 3.49Å; T158-Y162 HydrophobicContact CG2-CE2 3.48Å; T158-Y162 VanDerWaalsContact CG2-CE2 3.48Å; T158-Y162 HydrophobicContact CG2-CG 4Å; T158-Y162 PolarHBondContact O-N 2.51Å; V159-Y162 PolarHBondContact O-N 3.49Å; Y162-R165 PolarHBondContact O-N 3.11Å; Y162-M166 WeakPolarHBondContact O-CB 3.5Å; Y162-M166 PolarHBondContact O-N 3.31Å
163	Y	93.1	Very high	91.3	Very high	37 Å²	37	57 Å²	57	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-46	171.5	172.2	-107	0	0	0	112.5	F146 V159 M166 A167 T172 L177 L206	F146-Y163 HydrophobicContact CE2-CD2 4.1Å; F146-Y163 HydrophobicContact CZ-CD2 4.23Å; V159-Y163 VanDerWaalsContact O-CB 3.29Å; V159-Y163 WeakPolarHBondContact O-CB 3.41Å; V159-Y163 PolarHBondContact O-N 2.86Å; Y163-M166 PolarHBondContact O-N 3.26Å; Y163-A167 WeakPolarHBondContact O-CB 3.3Å; Y163-A167 PolarHBondContact O-N 2.84Å; Y163-T172 HydrophobicContact CD2-CG2 4.41Å; Y163-T172 HydrophobicContact CE2-CG2 3.89Å; Y163-T172 PolarHBondContact OH-OG1 2.69Å; Y163-L177 HydrophobicContact CD2-CD1 3.97Å; Y163-L177 HydrophobicContact CE2-CD1 3.61Å; Y163-L206 HydrophobicContact CD1-CD1 4.17Å; Y163-L206 HydrophobicContact CD1-CG 3.98Å; Y163-L206 HydrophobicContact CD2-CD2 4.04Å; Y163-L206 HydrophobicContact CD2-CG 3.77Å; Y163-L206 HydrophobicContact CE1-CG 4.34Å; Y163-L206 HydrophobicContact CE2-CG 4.16Å; Y163-L206 HydrophobicContact CG-CD1 4.19Å; Y163-L206 HydrophobicContact CG-CD2 4.07Å; Y163-L206 HydrophobicContact CG-CG 3.68Å
164	S	91.5	Very high	90.9	Very high	65 Å²	65	59.1 Å²	59.1	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-46	176.7	-176.1	0	0	0	0	111.7	Y160 H161 M166 A167 N168	Y160-S164 VanDerWaalsContact O-CB 3.32Å; Y160-S164 WeakPolarHBondContact O-CB 3.46Å; Y160-S164 PolarHBondContact O-N 3.42Å; H161-S164 PolarHBondContact O-N 3.2Å; S164-M166 PolarHBondContact O-N 3.05Å; S164-A167 PolarHBondContact O-N 3.24Å; S164-N168 PolarHBondContact O-N 2.87Å; S164-N168 PolarHBondContact O-ND2 3.15Å
165	R	91.6	Very high	90.8	Very high	74 Å²	74	54 Å²	54	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-42.7	175.6	-177.4	171.9	166.9	128.3	-12	112.2	P132 P133 H161 Y162 N168 Y169	P132-R165 PolarHBondContact O-NE 2.85Å; P132-R165 PolarHBondContact O-NH2 2.67Å; P132-R165 VanDerWaalsContact O-NH2 3.09Å; P133-R165 WeakPolarHBondContact O-CD 3.48Å; P133-R165 PolarHBondContact O-NE 2.81Å; H161-R165 WeakPolarHBondContact O-CB 3.23Å; H161-R165 PolarHBondContact O-N 2.91Å; Y162-R165 PolarHBondContact O-N 3.11Å; R165-N168 PolarHBondContact O-N 2.98Å; R165-Y169 HydrophobicContact CG-CE2 3.96Å; R165-Y169 WeakPolarHBondContact O-CD2 3.39Å
166	M	90.1	Very high	90.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-40.7	176.3	-166	-169.1	-171.3	0	0	112.4	P133 A138 V141 V144 F146 Y162 Y163 S164 N168 Y169 R170 T172 I175	P133-M166 HydrophobicContact CG-CB 4.39Å; A138-M166 HydrophobicContact CB-CE 4.23Å; A138-M166 HydrophobicContact CB-CG 4.09Å; V141-M166 HydrophobicContact CG2-CE 3.67Å; V144-M166 HydrophobicContact CB-CE 4.49Å; V144-M166 HydrophobicContact CB-SD 4.44Å; V144-M166 HydrophobicContact CG2-CE 3.49Å; V144-M166 VanDerWaalsContact CG2-CE 3.49Å; V144-M166 HydrophobicContact CG2-SD 3.95Å; F146-M166 HydrophobicContact CZ-SD 4.31Å; Y162-M166 WeakPolarHBondContact O-CB 3.5Å; Y162-M166 PolarHBondContact O-N 3.31Å; Y163-M166 PolarHBondContact O-N 3.26Å; S164-M166 PolarHBondContact O-N 3.05Å; M166-N168 PolarHBondContact O-N 3.38Å; M166-Y169 PolarHBondContact O-N 2.93Å; M166-R170 PolarHBondContact O-N 3.24Å; M166-R170 VanDerWaalsContact O-N 3.1Å; M166-T172 HydrophobicContact SD-CG2 4.49Å; M166-I175 HydrophobicContact CE-CD1 3.45Å; M166-I175 VanDerWaalsContact CE-CD1 3.45Å; M166-I175 HydrophobicContact CE-CG2 4.47Å
167	A	90	Very high	90.7	Very high	41 Å²	41	55 Å²	55	34%	0.339	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-23.2	179.8	0	0	0	0	0	113.7	Y163 S164 T172	Y163-A167 WeakPolarHBondContact O-CB 3.3Å; Y163-A167 PolarHBondContact O-N 2.84Å; S164-A167 PolarHBondContact O-N 3.24Å; A167-T172 HydrophobicContact CB-CG2 4.09Å
168	N	92.6	Very high	90.9	Very high	130 Å²	130	49.7 Å²	49.7	70%	0.695	25%	0.252	S	S	*	.	H	α-helix	trans	-73.3	-24.6	172.9	-63.8	-33.3	0	0	0	113.2	S164 R165 M166	S164-N168 PolarHBondContact O-N 2.87Å; S164-N168 PolarHBondContact O-ND2 3.15Å; R165-N168 PolarHBondContact O-N 2.98Å; M166-N168 PolarHBondContact O-N 3.38Å
169	Y	91.1	Very high	91	Very high	100 Å²	100	48.5 Å²	48.5	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-96.8	-33	-178.4	-61.7	-50.5	0	0	0	113.5	P133 A135 A138 R165 M166	P133-Y169 WeakPolarHBondContact O-CE2 3.43Å; A135-Y169 HydrophobicContact CB-CD1 3.66Å; A135-Y169 HydrophobicContact CB-CD2 4.35Å; A135-Y169 HydrophobicContact CB-CE1 3.87Å; A135-Y169 HydrophobicContact CB-CG 3.93Å; A138-Y169 HydrophobicContact CB-CD2 4.46Å; R165-Y169 HydrophobicContact CG-CE2 3.96Å; R165-Y169 WeakPolarHBondContact O-CD2 3.39Å; M166-Y169 PolarHBondContact O-N 2.93Å
170	R	89.8	Confident	91.2	Very high	53 Å²	53	48.5 Å²	48.5	20%	0.2	25%	0.245	C	C	.	.	S	Bend	trans	-152	146.5	179.8	-171.9	171.7	161.4	-156.6	-0.9	112	A138 M139 V141 M166 T172 I175	A138-R170 WeakPolarHBondContact O-CD 3.23Å; A138-R170 PolarHBondContact O-NH1 3.43Å; M139-R170 HydrophobicContact SD-CB 4.22Å; M139-R170 HydrophobicContact SD-CG 4.23Å; V141-R170 PolarHBondContact O-NH1 2.85Å; M166-R170 PolarHBondContact O-N 3.24Å; M166-R170 VanDerWaalsContact O-N 3.1Å; R170-T172 PolarHBondContact O-N 3.19Å; R170-I175 HydrophobicContact CB-CD1 4.29Å; R170-I175 HydrophobicContact CG-CD1 3.95Å
171	N	87.4	Confident	91.5	Very high	70 Å²	70	44.5 Å²	44.5	37%	0.374	23%	0.229	S	C	.	.			trans	-65.3	108.2	179.1	176.4	19.7	0	0	0	112	S173 E174 K207	N171-S173 PolarHBondContact ND2-OG 3.19Å; N171-S173 PolarHBondContact O-N 3.1Å; N171-S173 PolarHBondContact OD1-N 2.86Å; N171-S173 PolarHBondContact OD1-OG 2.92Å; N171-S173 VanDerWaalsContact OD1-OG 3.07Å; N171-E174 WeakPolarHBondContact CB-OE1 3.32Å; N171-E174 PolarHBondContact ND2-OE1 3.43Å; N171-E174 PolarHBondContact O-N 3.27Å; N171-K207 PolarHBondContact OD1-NZ 3.06Å
172	T	84.3	Confident	91.7	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.043	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	10.2	-178.8	54.3	0	0	0	0	115.3	Y163 M166 A167 R170 K207	Y163-T172 HydrophobicContact CD2-CG2 4.41Å; Y163-T172 HydrophobicContact CE2-CG2 3.89Å; Y163-T172 PolarHBondContact OH-OG1 2.69Å; M166-T172 HydrophobicContact SD-CG2 4.49Å; A167-T172 HydrophobicContact CB-CG2 4.09Å; R170-T172 PolarHBondContact O-N 3.19Å; T172-K207 VanDerWaalsContact C-NZ 3.26Å; T172-K207 WeakPolarHBondContact O-CD 3.49Å; T172-K207 WeakPolarHBondContact OG1-CE 3.16Å; T172-K207 PolarHBondContact OG1-NZ 2.69Å
173	S	82.4	Confident	91.7	Very high	84 Å²	84	40.1 Å²	40.1	59%	0.587	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-7.5	165.2	61.6	0	0	0	0	114	N171 K207	N171-S173 PolarHBondContact ND2-OG 3.19Å; N171-S173 PolarHBondContact O-N 3.1Å; N171-S173 PolarHBondContact OD1-N 2.86Å; N171-S173 PolarHBondContact OD1-OG 2.92Å; N171-S173 VanDerWaalsContact OD1-OG 3.07Å; S173-K207 VanDerWaalsContact N-NZ 3.13Å
174	E	84.1	Confident	91.5	Very high	98 Å²	98	39.3 Å²	39.3	46%	0.458	21%	0.208	S	C	.	.	S	Bend	trans	-95.4	-5.1	175.5	-68.4	158	-142.5	0	0	112.7	N171	N171-E174 WeakPolarHBondContact CB-OE1 3.32Å; N171-E174 PolarHBondContact ND2-OE1 3.43Å; N171-E174 PolarHBondContact O-N 3.27Å
175	I	90.9	Very high	91.2	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.041	20%	0.203	C	C	.	.	S	Bend	trans	-120.8	124.1	-174.6	-50.1	178.4	0	0	0	107.6	M166 R170 L177	M166-I175 HydrophobicContact CE-CD1 3.45Å; M166-I175 VanDerWaalsContact CE-CD1 3.45Å; M166-I175 HydrophobicContact CE-CG2 4.47Å; R170-I175 HydrophobicContact CB-CD1 4.29Å; R170-I175 HydrophobicContact CG-CD1 3.95Å; I175-L177 HydrophobicContact CG2-CD2 4.1Å; I175-L177 PolarHBondContact O-N 3.45Å
176	P	93.8	Very high	91	Very high	17 Å²	17	37.6 Å²	37.6	11%	0.11	20%	0.204	C	C	.	.			trans	-64.1	129.2	167.9	-20.4	34.1	0	0	0	110.9	D142 A143 V144 K232	D142-P176 WeakPolarHBondContact O-CD 3.33Å; A143-P176 WeakPolarHBondContact CA-O 3.48Å; A143-P176 HydrophobicContact CB-CB 4.06Å; A143-P176 HydrophobicContact CB-CG 4.31Å; A143-P176 WeakPolarHBondContact CB-O 3.29Å; V144-P176 PolarHBondContact N-O 3.36Å; V144-P176 VanDerWaalsContact N-O 3.09Å; P176-K232 HydrophobicContact CB-CB 3.64Å; P176-K232 HydrophobicContact CB-CD 4.17Å; P176-K232 HydrophobicContact CB-CG 4.46Å; P176-K232 HydrophobicContact CG-CB 3.85Å
177	L	94.8	Very high	90.8	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.073	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.2	175	-56.5	-176.6	0	0	0	110.2	V144 F146 Y163 I175 C209	V144-L177 HydrophobicContact CB-CD2 3.98Å; V144-L177 WeakPolarHBondContact O-CA 3.36Å; F146-L177 HydrophobicContact CE2-CD1 4.29Å; F146-L177 HydrophobicContact CE2-CD2 4.05Å; Y163-L177 HydrophobicContact CD2-CD1 3.97Å; Y163-L177 HydrophobicContact CE2-CD1 3.61Å; I175-L177 HydrophobicContact CG2-CD2 4.1Å; I175-L177 PolarHBondContact O-N 3.45Å; L177-C209 HydrophobicContact CB-CB 3.96Å; L177-C209 WeakPolarHBondContact O-CB 3.48Å
178	V	96.8	Very high	90.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.2	171	179.6	0	0	0	0	108.5	V144 I145 F146 V180 Y212 V225 V229	V144-V178 PolarHBondContact O-N 3.02Å; I145-V178 WeakPolarHBondContact CA-O 3.32Å; F146-V178 PolarHBondContact N-O 3.42Å; V178-V180 HydrophobicContact CG1-CG2 4.31Å; V178-Y212 HydrophobicContact CG1-CD2 3.69Å; V178-Y212 HydrophobicContact CG1-CE2 3.9Å; V178-V225 HydrophobicContact CG1-CG1 4.21Å; V178-V229 HydrophobicContact CB-CG2 4.04Å; V178-V229 HydrophobicContact CG2-CG2 3.52Å
179	L	97.4	Very high	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.7	177.8	179.9	70.4	0	0	0	109.6	F146 F148 V159 L202 T210 Y211 Y212	F146-L179 HydrophobicContact CB-CD1 4.05Å; F148-L179 HydrophobicContact CD1-CD1 3.86Å; F148-L179 HydrophobicContact CD1-CG 4.41Å; F148-L179 HydrophobicContact CE1-CD1 3.82Å; F148-L179 HydrophobicContact CE1-CD2 4.2Å; F148-L179 HydrophobicContact CE1-CG 3.89Å; V159-L179 HydrophobicContact CG1-CD1 3.95Å; L179-L202 HydrophobicContact CD1-CD2 3.75Å; L179-L202 HydrophobicContact CD1-CG 4.19Å; L179-L202 HydrophobicContact CD2-CB 4.1Å; L179-L202 HydrophobicContact CD2-CD2 3.83Å; L179-L202 HydrophobicContact CD2-CG 3.73Å; L179-L202 HydrophobicContact CG-CD2 4.42Å; L179-T210 PolarHBondContact N-O 3.35Å; L179-Y211 HydrophobicContact CB-CD2 4.3Å; L179-Y211 HydrophobicContact CD2-CD2 3.85Å; L179-Y211 HydrophobicContact CD2-CE2 4.49Å; L179-Y211 HydrophobicContact CG-CD2 3.91Å; L179-Y211 WeakPolarHBondContact O-CA 3.41Å; L179-Y212 PolarHBondContact O-N 3.14Å
180	V	97.9	Very high	89.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.3	-176.8	178.3	0	0	0	0	110.7	L87 I145 F146 V147 F148 V178 T182 Y212 T214 V225	L87-V180 HydrophobicContact CD2-CG1 3.92Å; I145-V180 HydrophobicContact CG2-CB 4.3Å; I145-V180 HydrophobicContact CG2-CG2 3.57Å; F146-V180 PolarHBondContact O-N 2.96Å; V147-V180 WeakPolarHBondContact CA-O 3.34Å; V147-V180 HydrophobicContact CG1-CG1 4.43Å; V147-V180 HydrophobicContact CG2-CB 4.48Å; F148-V180 WeakPolarHBondContact CD1-O 3.39Å; F148-V180 PolarHBondContact N-O 3.33Å; V178-V180 HydrophobicContact CG1-CG2 4.31Å; V180-T182 HydrophobicContact CG1-CG2 4.42Å; V180-Y212 WeakPolarHBondContact CA-O 3.49Å; V180-T214 HydrophobicContact CG1-CG2 3.72Å; V180-T214 WeakPolarHBondContact CG1-OG1 3.2Å; V180-V225 HydrophobicContact CG2-CG1 3.8Å; V180-V225 HydrophobicContact CG2-CG2 3.97Å
181	G	96.9	Very high	89.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.9	167.1	0	0	0	0	0	110.4	F148 Y212 E213 T214	F148-G181 CarbonylContact O-C 3.56Å; F148-G181 VanDerWaalsContact O-CA 3.31Å; F148-G181 WeakPolarHBondContact O-CA 3.33Å; G181-Y212 PolarHBondContact N-O 2.88Å; G181-E213 CarbonylContact O-C 3.52Å; G181-E213 VanDerWaalsContact O-CA 3.31Å; G181-E213 WeakPolarHBondContact O-CA 3.22Å; G181-T214 PolarHBondContact O-N 3.32Å
182	T	95.9	Very high	89.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.7	176.9	60.7	0	0	0	0	111.5	S82 V147 F148 S149 L150 V180 T214	S82-T182 VanDerWaalsContact O-CG2 3.3Å; S82-T182 WeakPolarHBondContact O-CG2 3.49Å; S82-T182 PolarHBondContact O-OG1 2.89Å; V147-T182 HydrophobicContact CG1-CG2 3.66Å; F148-T182 PolarHBondContact O-N 3.01Å; F148-T182 PolarHBondContact O-OG1 3.36Å; S149-T182 VanDerWaalsContact CA-OG1 3.3Å; S149-T182 WeakPolarHBondContact CA-OG1 3.37Å; L150-T182 VanDerWaalsContact CB-O 3.31Å; L150-T182 WeakPolarHBondContact CB-O 3.47Å; L150-T182 WeakPolarHBondContact CD1-O 3.29Å; L150-T182 WeakPolarHBondContact CG-O 3.46Å; L150-T182 PolarHBondContact N-O 3.2Å; V180-T182 HydrophobicContact CG1-CG2 4.42Å; T182-T214 CarbonylContact C-O 3.59Å; T182-T214 WeakPolarHBondContact CA-O 3.41Å
183	Q	94.3	Very high	90.3	Very high	42 Å²	42	46.9 Å²	46.9	20%	0.196	29%	0.286	C	S	.	.			trans	-113	11.4	179.8	-64.3	-177.4	-3.7	0	0	112.9	L150 A185 I186 E213 T214 C215 Y218	L150-Q183 HydrophobicContact CD1-CG 3.57Å; Q183-A185 PolarHBondContact O-N 3.3Å; Q183-I186 HydrophobicContact CB-CD1 3.78Å; Q183-I186 HydrophobicContact CB-CG1 4.38Å; Q183-I186 HydrophobicContact CG-CD1 3.9Å; Q183-I186 PolarHBondContact O-N 2.86Å; Q183-E213 PolarHBondContact NE2-OE2 2.86Å; Q183-T214 PolarHBondContact N-O 2.93Å; Q183-C215 HydrophobicContact CB-CB 4.19Å; Q183-Y218 PolarHBondContact OE1-OH 2.95Å; Q183-Y218 VanDerWaalsContact OE1-OH 3.07Å
184	D	88.9	Confident	90.9	Very high	21 Å²	21	42.9 Å²	42.9	11%	0.112	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.4	-153.9	-68.2	-41.1	0	0	0	115.9	Y96 C215 A216 T217	Y96-D184 HydrophobicContact CE2-CB 4.26Å; D184-C215 VanDerWaalsContact OD1-C 3.23Å; D184-C215 WeakPolarHBondContact OD1-CA 3.45Å; D184-C215 PolarHBondContact OD1-SG 3.4Å; D184-A216 WeakPolarHBondContact OD1-CA 3.36Å; D184-A216 PolarHBondContact OD1-N 2.86Å; D184-T217 PolarHBondContact OD1-N 3.3Å
185	A	83.9	Confident	91.3	Very high	42 Å²	42	42 Å²	42	35%	0.347	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	4.8	176.8	0	0	0	0	0	113.8	E151 Q183 S187	E151-A185 VanDerWaalsContact OE1-CB 3.24Å; E151-A185 WeakPolarHBondContact OE1-CB 3.44Å; E151-A185 WeakPolarHBondContact OE2-CB 3.31Å; Q183-A185 PolarHBondContact O-N 3.3Å; A185-S187 PolarHBondContact O-N 3.27Å; A185-S187 PolarHBondContact O-OG 3.46Å
186	I	87.4	Confident	91.4	Very high	61 Å²	61	44.6 Å²	44.6	31%	0.313	27%	0.271	S	S	.	.			trans	-62	123.8	178.1	-60.3	179.6	0	0	0	109.4	L150 E151 Q183 N190 R192	L150-I186 HydrophobicContact CB-CD1 3.94Å; E151-I186 PolarHBondContact OE2-N 3.37Å; E151-I186 VanDerWaalsContact OE2-N 3.15Å; Q183-I186 HydrophobicContact CB-CD1 3.78Å; Q183-I186 HydrophobicContact CB-CG1 4.38Å; Q183-I186 HydrophobicContact CG-CD1 3.9Å; Q183-I186 PolarHBondContact O-N 2.86Å; I186-N190 WeakPolarHBondContact CA-O 3.35Å; I186-R192 HydrophobicContact CD1-CB 4.29Å
187	S	86.5	Confident	91.4	Very high	58 Å²	58	47 Å²	47	41%	0.406	29%	0.293	S	S	.	.	S	Bend	trans	-151.2	178.5	-175.3	63.6	0	0	0	0	111.5	A185 A189 N190	A185-S187 PolarHBondContact O-N 3.27Å; A185-S187 PolarHBondContact O-OG 3.46Å; S187-A189 PolarHBondContact O-N 3.02Å; S187-A189 PolarHBondContact OG-N 3.37Å; S187-N190 PolarHBondContact N-O 3.35Å; S187-N190 CarbonylContact O-C 3.42Å; S187-N190 PolarHBondContact O-N 3.06Å; S187-N190 VanDerWaalsContact O-O 3.06Å; S187-N190 PolarHBondContact OG-N 2.96Å
188	S	80.9	Confident	91.4	Very high	136 Å²	136	50.2 Å²	50.2	95%	0.951	30%	0.304	S	S	*	.	S	Bend	trans	-66.9	-13.6	170.2	57.1	0	0	0	0	113.7
189	A	82.5	Confident	91.2	Very high	89 Å²	89	50.2 Å²	50.2	74%	0.736	30%	0.303	S	S	*	.	S	Bend	trans	-99	-27.6	175.5	0	0	0	0	0	112.6	S187	S187-A189 PolarHBondContact O-N 3.02Å; S187-A189 PolarHBondContact OG-N 3.37Å
190	N	83.9	Confident	91	Very high	64 Å²	64	56.5 Å²	56.5	34%	0.342	33%	0.327	S	S	.	.	S	Bend	trans	-125.3	90.6	177.8	-157	9.4	0	0	0	110.2	E151 I186 S187	E151-N190 PolarHBondContact OE1-ND2 3.45Å; I186-N190 WeakPolarHBondContact CA-O 3.35Å; S187-N190 PolarHBondContact N-O 3.35Å; S187-N190 CarbonylContact O-C 3.42Å; S187-N190 PolarHBondContact O-N 3.06Å; S187-N190 VanDerWaalsContact O-O 3.06Å; S187-N190 PolarHBondContact OG-N 2.96Å
191	P	89.1	Confident	90.9	Very high	84 Å²	84	62.6 Å²	62.6	55%	0.545	35%	0.354	S	S	.	.			trans	-80.1	153.8	-174.9	32.5	-35	0	0	0	112.4	V193	P191-V193 PolarHBondContact O-N 3.15Å
192	R	93.8	Very high	90.7	Very high	92 Å²	92	62.6 Å²	62.6	35%	0.347	35%	0.354	S	S	.	.			trans	-57.1	128.9	174	179.8	172.1	176.6	149.3	7.2	112.1	L150 I186 I194 E213	L150-R192 HydrophobicContact CB-CG 4.36Å; I186-R192 HydrophobicContact CD1-CB 4.29Å; R192-I194 WeakPolarHBondContact CG-O 3.15Å; R192-I194 PolarHBondContact NE-O 2.75Å; R192-I194 PolarHBondContact NH2-O 3.23Å; R192-I194 VanDerWaalsContact NH2-O 3.13Å; R192-E213 IonicContact CZ-OE1 3.33Å; R192-E213 VanDerWaalsContact CZ-OE1 3.23Å; R192-E213 IonicContact CZ-OE2 3.62Å; R192-E213 IonicContact NH1-OE1 3.75Å; R192-E213 PolarHBondContact NH1-OE1 3.4Å; R192-E213 IonicContact NH1-OE2 3.86Å; R192-E213 PolarHBondContact NH1-OE2 3.23Å; R192-E213 IonicContact NH2-OE1 2.75Å; R192-E213 PolarHBondContact NH2-OE1 3.44Å; R192-E213 IonicContact NH2-OE2 3.22Å
193	V	94.1	Very high	90.6	Very high	72 Å²	72	63 Å²	63	44%	0.436	36%	0.357	S	S	.	.			trans	-107.4	-31	-179.3	-179.9	0	0	0	0	112.3	L150 E151 E153 P191 R198	L150-V193 PolarHBondContact O-N 2.9Å; E151-V193 VanDerWaalsContact O-CG2 3.24Å; E151-V193 WeakPolarHBondContact O-CG2 3.38Å; E153-V193 HydrophobicContact CB-CG1 4.49Å; P191-V193 PolarHBondContact O-N 3.15Å; V193-R198 PolarHBondContact O-NH1 2.83Å
194	I	95.3	Very high	90.4	Very high	0 Å²	0	65 Å²	65	0%	0	37%	0.368	C	S	.	.	S	Bend	trans	-97.5	114.1	178.3	-49.2	-56.3	0	0	0	110	F148 L150 E153 F156 R192 R198 A199	F148-I194 HydrophobicContact CE2-CB 4.24Å; F148-I194 HydrophobicContact CE2-CG1 4.25Å; F148-I194 HydrophobicContact CE2-CG2 3.91Å; F148-I194 HydrophobicContact CZ-CG2 4.45Å; L150-I194 HydrophobicContact CD2-CB 4.02Å; L150-I194 HydrophobicContact CD2-CG2 4.32Å; L150-I194 WeakPolarHBondContact CD2-O 3.4Å; L150-I194 PolarHBondContact O-N 2.96Å; E153-I194 VanDerWaalsContact OE2-CD1 3.3Å; E153-I194 WeakPolarHBondContact OE2-CD1 3.3Å; F156-I194 HydrophobicContact CB-CD1 3.72Å; F156-I194 HydrophobicContact CB-CG1 4Å; F156-I194 HydrophobicContact CD1-CD1 3.88Å; F156-I194 HydrophobicContact CD2-CD1 4.18Å; F156-I194 HydrophobicContact CD2-CG1 4.17Å; F156-I194 HydrophobicContact CD2-CG2 3.72Å; F156-I194 HydrophobicContact CE2-CG2 3.71Å; F156-I194 HydrophobicContact CG-CD1 3.65Å; F156-I194 HydrophobicContact CG-CG1 4.06Å; F156-I194 HydrophobicContact CG-CG2 4.3Å; F156-I194 HydrophobicContact CZ-CG2 4.3Å; R192-I194 WeakPolarHBondContact CG-O 3.15Å; R192-I194 PolarHBondContact NE-O 2.75Å; R192-I194 PolarHBondContact NH2-O 3.23Å; R192-I194 VanDerWaalsContact NH2-O 3.13Å; I194-R198 HydrophobicContact CG2-CB 4.19Å; I194-A199 HydrophobicContact CG2-CB 4.32Å
195	D	92.9	Very high	90.5	Very high	79 Å²	79	67.7 Å²	67.7	42%	0.422	38%	0.383	S	S	.	.			trans	-78	167.3	174.6	69.6	8.3	0	0	0	113.1	A197 R198 A199	D195-A197 VanDerWaalsContact C-N 3.26Å; D195-A197 PolarHBondContact O-N 3.25Å; D195-A197 PolarHBondContact OD1-N 3.18Å; D195-R198 PolarHBondContact O-N 3.14Å; D195-R198 VanDerWaalsContact OD1-CB 3.22Å; D195-R198 WeakPolarHBondContact OD1-CB 3.45Å; D195-R198 WeakPolarHBondContact OD1-CG 3.46Å; D195-R198 PolarHBondContact OD1-N 3.07Å; D195-A199 PolarHBondContact O-N 3.01Å
196	D	92.4	Very high	90.7	Very high	64 Å²	64	65.8 Å²	65.8	34%	0.342	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-37.3	176.3	179.5	66.6	0	0	0	110.4	R198 A199 R200	D196-R198 PolarHBondContact O-N 3.02Å; D196-A199 PolarHBondContact O-N 3.38Å; D196-R200 VanDerWaalsContact O-CB 3.26Å; D196-R200 WeakPolarHBondContact O-CB 3.15Å; D196-R200 WeakPolarHBondContact O-CG 3.46Å; D196-R200 PolarHBondContact O-N 2.8Å; D196-R200 WeakPolarHBondContact OD1-CG 3.4Å; D196-R200 IonicContact OD1-CZ 3.14Å; D196-R200 IonicContact OD1-NE 3.63Å; D196-R200 PolarHBondContact OD1-NE 2.92Å; D196-R200 IonicContact OD1-NH2 3.86Å; D196-R200 WeakPolarHBondContact OD2-CG 3.47Å; D196-R200 IonicContact OD2-CZ 2.67Å; D196-R200 IonicContact OD2-NE 3.69Å; D196-R200 PolarHBondContact OD2-NE 3.48Å; D196-R200 IonicContact OD2-NH2 2.74Å
197	A	93.1	Very high	90.5	Very high	68 Å²	68	67.7 Å²	67.7	56%	0.562	37%	0.373	S	S	*	.	H	α-helix	trans	-59.1	-44	-179.1	0	0	0	0	0	112.9	D195 K201	D195-A197 VanDerWaalsContact C-N 3.26Å; D195-A197 PolarHBondContact O-N 3.25Å; D195-A197 PolarHBondContact OD1-N 3.18Å; A197-K201 WeakPolarHBondContact O-CB 3.24Å; A197-K201 PolarHBondContact O-N 2.84Å
198	R	94.9	Very high	90.4	Very high	81 Å²	81	74.5 Å²	74.5	31%	0.306	39%	0.39	S	S	.	.	H	α-helix	trans	-68	-42.6	175.2	-70.6	174.4	67.4	-165.9	-0.7	111.9	E153 F156 V193 I194 D195 D196 K201 L202	E153-R198 IonicContact OE1-CZ 3.89Å; E153-R198 IonicContact OE1-NH2 2.76Å; E153-R198 PolarHBondContact OE1-NH2 3.49Å; E153-R198 IonicContact OE2-CZ 3.2Å; E153-R198 IonicContact OE2-NH1 2.76Å; E153-R198 PolarHBondContact OE2-NH1 2.94Å; E153-R198 IonicContact OE2-NH2 2.75Å; E153-R198 PolarHBondContact OE2-NH2 2.63Å; F156-R198 HydrophobicContact CZ-CB 4.1Å; V193-R198 PolarHBondContact O-NH1 2.83Å; I194-R198 HydrophobicContact CG2-CB 4.19Å; D195-R198 PolarHBondContact O-N 3.14Å; D195-R198 VanDerWaalsContact OD1-CB 3.22Å; D195-R198 WeakPolarHBondContact OD1-CB 3.45Å; D195-R198 WeakPolarHBondContact OD1-CG 3.46Å; D195-R198 PolarHBondContact OD1-N 3.07Å; D196-R198 PolarHBondContact O-N 3.02Å; R198-K201 WeakPolarHBondContact O-CB 3.49Å; R198-K201 PolarHBondContact O-N 3Å; R198-L202 PolarHBondContact O-N 3.26Å
199	A	93.9	Very high	90.9	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-39.9	178.7	0	0	0	0	0	112.9	F148 I194 D195 D196 K201 L202 S203 Y211	F148-A199 HydrophobicContact CZ-CB 3.95Å; I194-A199 HydrophobicContact CG2-CB 4.32Å; D195-A199 PolarHBondContact O-N 3.01Å; D196-A199 PolarHBondContact O-N 3.38Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 3.31Å; A199-L202 PolarHBondContact O-N 3.21Å; A199-S203 PolarHBondContact O-N 2.99Å; A199-Y211 HydrophobicContact CB-CD1 4.28Å; A199-Y211 HydrophobicContact CB-CD2 4.43Å; A199-Y211 HydrophobicContact CB-CE1 3.6Å; A199-Y211 HydrophobicContact CB-CE2 3.79Å; A199-Y211 VanDerWaalsContact CB-OH 3.3Å; A199-Y211 WeakPolarHBondContact CB-OH 3.44Å
200	R	93.4	Very high	91.4	Very high	133 Å²	133	66.8 Å²	66.8	50%	0.502	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-36.7	170.5	-65.7	-76	-174.7	151	14.9	112	D196 S203 N204	D196-R200 VanDerWaalsContact O-CB 3.26Å; D196-R200 WeakPolarHBondContact O-CB 3.15Å; D196-R200 WeakPolarHBondContact O-CG 3.46Å; D196-R200 PolarHBondContact O-N 2.8Å; D196-R200 WeakPolarHBondContact OD1-CG 3.4Å; D196-R200 IonicContact OD1-CZ 3.14Å; D196-R200 IonicContact OD1-NE 3.63Å; D196-R200 PolarHBondContact OD1-NE 2.92Å; D196-R200 IonicContact OD1-NH2 3.86Å; D196-R200 WeakPolarHBondContact OD2-CG 3.47Å; D196-R200 IonicContact OD2-CZ 2.67Å; D196-R200 IonicContact OD2-NE 3.69Å; D196-R200 PolarHBondContact OD2-NE 3.48Å; D196-R200 IonicContact OD2-NH2 2.74Å; R200-S203 PolarHBondContact O-N 3.18Å; R200-S203 PolarHBondContact O-OG 3.24Å; R200-N204 PolarHBondContact O-N 3.28Å; R200-N204 PolarHBondContact O-ND2 2.95Å
201	K	93.9	Very high	92.1	Very high	128 Å²	128	65.1 Å²	65.1	56%	0.557	32%	0.317	S	S	*	.	H	α-helix	trans	-63.3	-51.7	173.3	-172.4	-169.7	168.7	-168.5	0	110.5	A197 R198 A199 S203 N204 D205	A197-K201 WeakPolarHBondContact O-CB 3.24Å; A197-K201 PolarHBondContact O-N 2.84Å; R198-K201 WeakPolarHBondContact O-CB 3.49Å; R198-K201 PolarHBondContact O-N 3Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 3.31Å; K201-S203 VanDerWaalsContact C-N 3.25Å; K201-S203 PolarHBondContact O-N 3.38Å; K201-N204 WeakPolarHBondContact O-CB 3.34Å; K201-N204 PolarHBondContact O-N 2.78Å; K201-D205 WeakPolarHBondContact CE-OD2 3.49Å; K201-D205 PolarHBondContact O-N 2.98Å
202	L	93	Very high	92.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-53.1	-43.4	175.6	175.3	64.4	0	0	0	111.4	F148 F156 V159 Y160 L179 R198 A199 N204 D205 L206	F148-L202 HydrophobicContact CD1-CD2 4.39Å; F148-L202 HydrophobicContact CE1-CD2 4.26Å; F156-L202 HydrophobicContact CD2-CD2 3.72Å; F156-L202 HydrophobicContact CE2-CB 3.9Å; F156-L202 HydrophobicContact CE2-CD2 3.39Å; F156-L202 HydrophobicContact CE2-CG 4.25Å; F156-L202 HydrophobicContact CZ-CB 3.96Å; F156-L202 HydrophobicContact CZ-CD2 4.05Å; V159-L202 HydrophobicContact CB-CD2 4.31Å; V159-L202 HydrophobicContact CG1-CD1 4.18Å; V159-L202 HydrophobicContact CG1-CD2 4.09Å; Y160-L202 HydrophobicContact CD1-CD1 3.85Å; Y160-L202 HydrophobicContact CD2-CD1 3.83Å; Y160-L202 HydrophobicContact CE1-CD1 3.55Å; Y160-L202 HydrophobicContact CE2-CD1 3.53Å; Y160-L202 HydrophobicContact CG-CD1 3.99Å; L179-L202 HydrophobicContact CD1-CD2 3.75Å; L179-L202 HydrophobicContact CD1-CG 4.19Å; L179-L202 HydrophobicContact CD2-CB 4.1Å; L179-L202 HydrophobicContact CD2-CD2 3.83Å; L179-L202 HydrophobicContact CD2-CG 3.73Å; L179-L202 HydrophobicContact CG-CD2 4.42Å; R198-L202 PolarHBondContact O-N 3.26Å; A199-L202 PolarHBondContact O-N 3.21Å; L202-N204 PolarHBondContact O-N 3.44Å; L202-D205 PolarHBondContact O-N 3.44Å; L202-L206 HydrophobicContact CD1-CD1 3.4Å; L202-L206 HydrophobicContact CG-CD1 4.15Å; L202-L206 VanDerWaalsContact O-CD1 3.31Å; L202-L206 WeakPolarHBondContact O-CD1 3.13Å; L202-L206 PolarHBondContact O-N 2.68Å
203	S	93.7	Very high	92.6	Very high	10 Å²	10	61 Å²	61	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-33.7	178.8	104.9	0	0	0	0	113.4	A199 R200 K201 R208 C209	A199-S203 PolarHBondContact O-N 2.99Å; R200-S203 PolarHBondContact O-N 3.18Å; R200-S203 PolarHBondContact O-OG 3.24Å; K201-S203 VanDerWaalsContact C-N 3.25Å; K201-S203 PolarHBondContact O-N 3.38Å; S203-R208 CarbonylContact O-C 3.33Å; S203-R208 WeakPolarHBondContact O-CA 3.42Å; S203-R208 PolarHBondContact O-N 3.2Å; S203-R208 VanDerWaalsContact O-N 3.14Å; S203-C209 PolarHBondContact O-N 3.47Å; S203-C209 PolarHBondContact O-SG 3.37Å; S203-C209 PolarHBondContact OG-O 2.89Å
204	N	91.9	Very high	92.7	Very high	82 Å²	82	57.6 Å²	57.6	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-43.9	172.4	-81.8	-76.5	0	0	0	111.8	R200 K201 L202 L206 K207 R208	R200-N204 PolarHBondContact O-N 3.28Å; R200-N204 PolarHBondContact O-ND2 2.95Å; K201-N204 WeakPolarHBondContact O-CB 3.34Å; K201-N204 PolarHBondContact O-N 2.78Å; L202-N204 PolarHBondContact O-N 3.44Å; N204-L206 VanDerWaalsContact C-N 3.33Å; N204-L206 PolarHBondContact O-N 3.05Å; N204-K207 PolarHBondContact O-N 3.49Å; N204-R208 PolarHBondContact O-N 3.27Å
205	D	89.6	Confident	92.7	Very high	79 Å²	79	57.8 Å²	57.8	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-34.9	-179.6	-66.1	-19.4	0	0	0	111.2	Y160 K201 L202 K207	Y160-D205 HydrophobicContact CE1-CB 4.35Å; K201-D205 WeakPolarHBondContact CE-OD2 3.49Å; K201-D205 PolarHBondContact O-N 2.98Å; L202-D205 PolarHBondContact O-N 3.44Å; D205-K207 PolarHBondContact O-N 2.63Å
206	L	89.4	Confident	92.6	Very high	2 Å²	2	54 Å²	54	1%	0.01	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	53.4	168.5	-85.4	73.6	0	0	0	112.6	F146 V159 Y163 L202 N204 R208 C209	F146-L206 HydrophobicContact CD2-CD2 3.62Å; F146-L206 HydrophobicContact CE2-CD2 3.98Å; F146-L206 HydrophobicContact CG-CD2 4.15Å; V159-L206 HydrophobicContact CG1-CD2 3.97Å; Y163-L206 HydrophobicContact CD1-CD1 4.17Å; Y163-L206 HydrophobicContact CD1-CG 3.98Å; Y163-L206 HydrophobicContact CD2-CD2 4.04Å; Y163-L206 HydrophobicContact CD2-CG 3.77Å; Y163-L206 HydrophobicContact CE1-CG 4.34Å; Y163-L206 HydrophobicContact CE2-CG 4.16Å; Y163-L206 HydrophobicContact CG-CD1 4.19Å; Y163-L206 HydrophobicContact CG-CD2 4.07Å; Y163-L206 HydrophobicContact CG-CG 3.68Å; L202-L206 HydrophobicContact CD1-CD1 3.4Å; L202-L206 HydrophobicContact CG-CD1 4.15Å; L202-L206 VanDerWaalsContact O-CD1 3.31Å; L202-L206 WeakPolarHBondContact O-CD1 3.13Å; L202-L206 PolarHBondContact O-N 2.68Å; N204-L206 VanDerWaalsContact C-N 3.33Å; N204-L206 PolarHBondContact O-N 3.05Å; L206-R208 PolarHBondContact O-N 3.08Å; L206-R208 VanDerWaalsContact O-N 3.16Å; L206-C209 PolarHBondContact O-N 3.15Å
207	K	83.4	Confident	92.3	Very high	101 Å²	101	54 Å²	54	44%	0.439	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	31.1	176.9	-73.2	175.6	170.5	173.3	0	114.4	N171 T172 S173 N204 D205	N171-K207 PolarHBondContact OD1-NZ 3.06Å; T172-K207 VanDerWaalsContact C-NZ 3.26Å; T172-K207 WeakPolarHBondContact O-CD 3.49Å; T172-K207 WeakPolarHBondContact OG1-CE 3.16Å; T172-K207 PolarHBondContact OG1-NZ 2.69Å; S173-K207 VanDerWaalsContact N-NZ 3.13Å; N204-K207 PolarHBondContact O-N 3.49Å; D205-K207 PolarHBondContact O-N 2.63Å
208	R	83.4	Confident	92	Very high	201 Å²	201	57.5 Å²	57.5	76%	0.758	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	46.4	-176.3	-53.2	-177.1	178.9	172.3	-0.3	113.2	S203 N204 L206	S203-R208 CarbonylContact O-C 3.33Å; S203-R208 WeakPolarHBondContact O-CA 3.42Å; S203-R208 PolarHBondContact O-N 3.2Å; S203-R208 VanDerWaalsContact O-N 3.14Å; N204-R208 PolarHBondContact O-N 3.27Å; L206-R208 PolarHBondContact O-N 3.08Å; L206-R208 VanDerWaalsContact O-N 3.16Å
209	C	90.8	Very high	91.6	Very high	13 Å²	13	55.1 Å²	55.1	9%	0.088	26%	0.255	C	S	.	.			trans	-62.6	158	170.7	65.5	0	0	0	0	111.6	L177 S203 L206	L177-C209 HydrophobicContact CB-CB 3.96Å; L177-C209 WeakPolarHBondContact O-CB 3.48Å; S203-C209 PolarHBondContact O-N 3.47Å; S203-C209 PolarHBondContact O-SG 3.37Å; S203-C209 PolarHBondContact OG-O 2.89Å; L206-C209 PolarHBondContact O-N 3.15Å
210	T	94.6	Very high	91.6	Very high	50 Å²	50	57.6 Å²	57.6	31%	0.307	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.4	171.5	47	0	0	0	0	109.4	L179 D228 K232	L179-T210 PolarHBondContact N-O 3.35Å; T210-D228 PolarHBondContact OG1-OD2 3.38Å; T210-K232 PolarHBondContact OG1-NZ 3.34Å
211	Y	96.9	Very high	91.6	Very high	28 Å²	28	52.8 Å²	52.8	11%	0.11	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.7	174.2	173.9	-124.5	0	0	0	109.9	F148 L179 A199 E213	F148-Y211 HydrophobicContact CE1-CE2 4Å; F148-Y211 AromaticContact CZ-CE2 3.91Å; F148-Y211 HydrophobicContact CZ-CE2 3.91Å; L179-Y211 HydrophobicContact CB-CD2 4.3Å; L179-Y211 HydrophobicContact CD2-CD2 3.85Å; L179-Y211 HydrophobicContact CD2-CE2 4.49Å; L179-Y211 HydrophobicContact CG-CD2 3.91Å; L179-Y211 WeakPolarHBondContact O-CA 3.41Å; A199-Y211 HydrophobicContact CB-CD1 4.28Å; A199-Y211 HydrophobicContact CB-CD2 4.43Å; A199-Y211 HydrophobicContact CB-CE1 3.6Å; A199-Y211 HydrophobicContact CB-CE2 3.79Å; A199-Y211 VanDerWaalsContact CB-OH 3.3Å; A199-Y211 WeakPolarHBondContact CB-OH 3.44Å; Y211-E213 HydrophobicContact CE1-CG 3.95Å; Y211-E213 HydrophobicContact CE2-CG 4.48Å; Y211-E213 VanDerWaalsContact OH-CG 3.22Å; Y211-E213 WeakPolarHBondContact OH-CG 3.41Å; Y211-E213 PolarHBondContact OH-OE1 3.4Å
212	Y	97.6	Very high	91.6	Very high	56 Å²	56	46.9 Å²	46.9	22%	0.22	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.4	171.3	-64	-80.1	0	0	0	110.4	V178 L179 V180 G181 V225 D228	V178-Y212 HydrophobicContact CG1-CD2 3.69Å; V178-Y212 HydrophobicContact CG1-CE2 3.9Å; L179-Y212 PolarHBondContact O-N 3.14Å; V180-Y212 WeakPolarHBondContact CA-O 3.49Å; G181-Y212 PolarHBondContact N-O 2.88Å; Y212-V225 HydrophobicContact CD2-CG2 3.82Å; Y212-V225 HydrophobicContact CG-CG2 3.9Å; Y212-D228 HydrophobicContact CE2-CB 4.36Å; Y212-D228 WeakPolarHBondContact CE2-OD2 3.4Å; Y212-D228 PolarHBondContact OH-OD2 3.37Å
213	E	96.7	Very high	91.7	Very high	35 Å²	35	51.1 Å²	51.1	16%	0.164	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.8	159.6	-65.1	-168.4	-166.5	0	0	109.1	L150 G181 Q183 R192 Y211 N221	L150-E213 HydrophobicContact CD1-CB 4.46Å; L150-E213 HydrophobicContact CD1-CG 4.02Å; G181-E213 CarbonylContact O-C 3.52Å; G181-E213 VanDerWaalsContact O-CA 3.31Å; G181-E213 WeakPolarHBondContact O-CA 3.22Å; Q183-E213 PolarHBondContact NE2-OE2 2.86Å; R192-E213 IonicContact CZ-OE1 3.33Å; R192-E213 VanDerWaalsContact CZ-OE1 3.23Å; R192-E213 IonicContact CZ-OE2 3.62Å; R192-E213 IonicContact NH1-OE1 3.75Å; R192-E213 PolarHBondContact NH1-OE1 3.4Å; R192-E213 IonicContact NH1-OE2 3.86Å; R192-E213 PolarHBondContact NH1-OE2 3.23Å; R192-E213 IonicContact NH2-OE1 2.75Å; R192-E213 PolarHBondContact NH2-OE1 3.44Å; R192-E213 IonicContact NH2-OE2 3.22Å; Y211-E213 HydrophobicContact CE1-CG 3.95Å; Y211-E213 HydrophobicContact CE2-CG 4.48Å; Y211-E213 VanDerWaalsContact OH-CG 3.22Å; Y211-E213 WeakPolarHBondContact OH-CG 3.41Å; Y211-E213 PolarHBondContact OH-OE1 3.4Å; E213-N221 WeakPolarHBondContact O-CB 3.38Å; E213-N221 PolarHBondContact O-ND2 2.76Å
214	T	96.4	Very high	91.7	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.8	-178.2	54.3	0	0	0	0	111.6	L87 V180 G181 T182 Q183 L220 N221 V225	L87-T214 HydrophobicContact CD1-CG2 4.09Å; V180-T214 HydrophobicContact CG1-CG2 3.72Å; V180-T214 WeakPolarHBondContact CG1-OG1 3.2Å; G181-T214 PolarHBondContact O-N 3.32Å; T182-T214 CarbonylContact C-O 3.59Å; T182-T214 WeakPolarHBondContact CA-O 3.41Å; Q183-T214 PolarHBondContact N-O 2.93Å; T214-L220 VanDerWaalsContact CA-O 3.23Å; T214-L220 WeakPolarHBondContact CA-O 3.49Å; T214-L220 WeakPolarHBondContact CB-O 3.35Å; T214-N221 HydrophobicContact CG2-CB 3.94Å; T214-V225 HydrophobicContact CG2-CG2 3.73Å
215	C	94.2	Very high	91.9	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.02	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-139	113.9	165.9	-173.5	0	0	0	0	109.4	Q183 D184 T217 Y218 G219 L220	Q183-C215 HydrophobicContact CB-CB 4.19Å; D184-C215 VanDerWaalsContact OD1-C 3.23Å; D184-C215 WeakPolarHBondContact OD1-CA 3.45Å; D184-C215 PolarHBondContact OD1-SG 3.4Å; C215-T217 VanDerWaalsContact C-N 3.27Å; C215-T217 PolarHBondContact O-N 2.97Å; C215-T217 VanDerWaalsContact SG-CB 3.54Å; C215-Y218 HydrophobicContact CB-CD1 4Å; C215-Y218 HydrophobicContact CB-CE1 3.51Å; C215-Y218 HydrophobicContact CB-CE2 4.29Å; C215-Y218 WeakPolarHBondContact SG-CD1 3.39Å; C215-Y218 WeakPolarHBondContact SG-CE1 3.31Å; C215-G219 CarbonylContact O-C 3.54Å; C215-G219 VanDerWaalsContact O-CA 3.24Å; C215-G219 WeakPolarHBondContact O-CA 3.48Å; C215-G219 PolarHBondContact O-N 3.06Å; C215-L220 HydrophobicContact CB-CB 3.96Å; C215-L220 PolarHBondContact N-O 3.22Å; C215-L220 VanDerWaalsContact N-O 3.14Å; C215-L220 PolarHBondContact O-N 3.45Å
216	A	90.6	Very high	92.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-32.2	171.8	0	0	0	0	0	112.2	A86 R90 Y96 D184 Y218	A86-A216 HydrophobicContact CB-CB 3.92Å; A86-A216 WeakPolarHBondContact O-CB 3.42Å; R90-A216 HydrophobicContact CB-CB 3.89Å; R90-A216 VanDerWaalsContact CD-O 3.22Å; R90-A216 WeakPolarHBondContact CD-O 3.33Å; R90-A216 HydrophobicContact CG-CB 4.36Å; R90-A216 VanDerWaalsContact CG-O 3.3Å; R90-A216 WeakPolarHBondContact CG-O 3.49Å; R90-A216 PolarHBondContact NH1-O 3.27Å; Y96-A216 HydrophobicContact CD2-CB 3.68Å; Y96-A216 HydrophobicContact CE2-CB 4.02Å; D184-A216 WeakPolarHBondContact OD1-CA 3.36Å; D184-A216 PolarHBondContact OD1-N 2.86Å; A216-Y218 PolarHBondContact O-N 2.95Å
217	T	87.3	Confident	92.6	Very high	63 Å²	63	51.8 Å²	51.8	39%	0.387	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-43.8	-178.9	-49.3	0	0	0	0	113	R90 Y96 D184 C215	R90-T217 VanDerWaalsContact NH1-C 3.33Å; R90-T217 PolarHBondContact NH1-O 3.43Å; Y96-T217 HydrophobicContact CD1-CG2 4.06Å; Y96-T217 HydrophobicContact CE1-CG2 4.2Å; D184-T217 PolarHBondContact OD1-N 3.3Å; C215-T217 VanDerWaalsContact C-N 3.27Å; C215-T217 PolarHBondContact O-N 2.97Å; C215-T217 VanDerWaalsContact SG-CB 3.54Å
218	Y	87.1	Confident	93.2	Very high	143 Å²	143	48.1 Å²	48.1	56%	0.561	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	9.8	179	58.4	-88	0	0	0	114.7	Q183 C215 A216 L220	Q183-Y218 PolarHBondContact OE1-OH 2.95Å; Q183-Y218 VanDerWaalsContact OE1-OH 3.07Å; C215-Y218 HydrophobicContact CB-CD1 4Å; C215-Y218 HydrophobicContact CB-CE1 3.51Å; C215-Y218 HydrophobicContact CB-CE2 4.29Å; C215-Y218 WeakPolarHBondContact SG-CD1 3.39Å; C215-Y218 WeakPolarHBondContact SG-CE1 3.31Å; A216-Y218 PolarHBondContact O-N 2.95Å; Y218-L220 HydrophobicContact CD2-CB 4.08Å; Y218-L220 HydrophobicContact CE2-CB 3.6Å; Y218-L220 HydrophobicContact CE2-CD2 4.18Å; Y218-L220 HydrophobicContact CE2-CG 4.38Å
219	G	86.4	Confident	93.8	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	16.9	172.5	0	0	0	0	0	115.8	C215 N221	C215-G219 CarbonylContact O-C 3.54Å; C215-G219 VanDerWaalsContact O-CA 3.24Å; C215-G219 WeakPolarHBondContact O-CA 3.48Å; C215-G219 PolarHBondContact O-N 3.06Å; G219-N221 PolarHBondContact O-N 2.6Å
220	L	93.6	Very high	94.1	Very high	53 Å²	53	38 Å²	38	28%	0.277	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-59.6	122.6	179.8	175.3	64.5	0	0	0	111	T214 C215 Y218 V222	T214-L220 VanDerWaalsContact CA-O 3.23Å; T214-L220 WeakPolarHBondContact CA-O 3.49Å; T214-L220 WeakPolarHBondContact CB-O 3.35Å; C215-L220 HydrophobicContact CB-CB 3.96Å; C215-L220 PolarHBondContact N-O 3.22Å; C215-L220 VanDerWaalsContact N-O 3.14Å; C215-L220 PolarHBondContact O-N 3.45Å; Y218-L220 HydrophobicContact CD2-CB 4.08Å; Y218-L220 HydrophobicContact CE2-CB 3.6Å; Y218-L220 HydrophobicContact CE2-CD2 4.18Å; Y218-L220 HydrophobicContact CE2-CG 4.38Å; L220-V222 PolarHBondContact O-N 2.82Å
221	N	94.2	Very high	94.1	Very high	31 Å²	31	40 Å²	40	17%	0.166	19%	0.188	C	C	.	.	S	Bend	trans	56.9	-6.3	176.3	-66.7	-38.7	0	0	0	117.4	E213 T214 G219 E223 R224 V225	E213-N221 WeakPolarHBondContact O-CB 3.38Å; E213-N221 PolarHBondContact O-ND2 2.76Å; T214-N221 HydrophobicContact CG2-CB 3.94Å; G219-N221 PolarHBondContact O-N 2.6Å; N221-E223 PolarHBondContact O-N 3.26Å; N221-R224 WeakPolarHBondContact O-CA 3.38Å; N221-R224 VanDerWaalsContact O-CB 3.29Å; N221-R224 WeakPolarHBondContact O-CB 3.45Å; N221-R224 PolarHBondContact O-N 3.05Å; N221-R224 WeakPolarHBondContact OD1-CD 3.36Å; N221-R224 PolarHBondContact OD1-NH1 2.98Å; N221-V225 PolarHBondContact O-N 3.06Å
222	V	93.4	Very high	94	Very high	5 Å²	5	41 Å²	41	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-48.9	-60.2	-175.4	-179.2	0	0	0	0	112.3	L87 R90 Y91 L220 R224 V225 F226	L87-V222 HydrophobicContact CD1-CB 4.23Å; L87-V222 HydrophobicContact CD1-CG1 3.92Å; L87-V222 HydrophobicContact CD1-CG2 3.83Å; R90-V222 HydrophobicContact CB-CG1 4.46Å; R90-V222 HydrophobicContact CG-CG1 4.36Å; R90-V222 HydrophobicContact CG-CG2 4.21Å; Y91-V222 HydrophobicContact CD2-CG1 4.47Å; L220-V222 PolarHBondContact O-N 2.82Å; V222-R224 PolarHBondContact O-N 3.12Å; V222-V225 PolarHBondContact O-N 3.48Å; V222-F226 WeakPolarHBondContact O-CD2 3.38Å
223	E	94	Very high	93.9	Very high	88 Å²	88	38.4 Å²	38.4	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-26.1	178.9	-167.8	66.9	-145.2	0	0	112.7	Y91 K113 N221 Q227	Y91-E223 VanDerWaalsContact CD2-OE2 3.3Å; Y91-E223 WeakPolarHBondContact CD2-OE2 3.48Å; Y91-E223 VanDerWaalsContact CE2-CD 3.49Å; Y91-E223 WeakPolarHBondContact CE2-OE1 3.39Å; Y91-E223 WeakPolarHBondContact CE2-OE2 3.23Å; K113-E223 IonicContact NZ-OE1 3.81Å; K113-E223 IonicContact NZ-OE2 2.93Å; K113-E223 PolarHBondContact NZ-OE2 3.23Å; N221-E223 PolarHBondContact O-N 3.26Å; E223-Q227 VanDerWaalsContact O-CB 3.24Å; E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 PolarHBondContact O-N 3.43Å; E223-Q227 VanDerWaalsContact O-N 3.14Å
224	R	94.1	Very high	93.7	Very high	156 Å²	156	37 Å²	37	59%	0.589	18%	0.177	S	C	*	.	H	α-helix	trans	-72.3	-38	178.2	-58.8	-177.9	-179	160.7	-8.3	111.9	N221 V222 Q227 D228	N221-R224 WeakPolarHBondContact O-CA 3.38Å; N221-R224 VanDerWaalsContact O-CB 3.29Å; N221-R224 WeakPolarHBondContact O-CB 3.45Å; N221-R224 PolarHBondContact O-N 3.05Å; N221-R224 WeakPolarHBondContact OD1-CD 3.36Å; N221-R224 PolarHBondContact OD1-NH1 2.98Å; V222-R224 PolarHBondContact O-N 3.12Å; R224-Q227 PolarHBondContact O-N 3.04Å; R224-D228 WeakPolarHBondContact O-CB 3.24Å; R224-D228 PolarHBondContact O-N 3.12Å
225	V	97	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-56	177	173.5	0	0	0	0	110	I145 V178 V180 Y212 T214 N221 V222 Q227 D228 V229	I145-V225 HydrophobicContact CD1-CG1 3.82Å; I145-V225 HydrophobicContact CG1-CG1 4.28Å; I145-V225 HydrophobicContact CG2-CG1 4.18Å; V178-V225 HydrophobicContact CG1-CG1 4.21Å; V180-V225 HydrophobicContact CG2-CG1 3.8Å; V180-V225 HydrophobicContact CG2-CG2 3.97Å; Y212-V225 HydrophobicContact CD2-CG2 3.82Å; Y212-V225 HydrophobicContact CG-CG2 3.9Å; T214-V225 HydrophobicContact CG2-CG2 3.73Å; N221-V225 PolarHBondContact O-N 3.06Å; V222-V225 PolarHBondContact O-N 3.48Å; V225-Q227 VanDerWaalsContact C-N 3.31Å; V225-Q227 PolarHBondContact O-N 2.82Å; V225-D228 PolarHBondContact O-N 3.01Å; V225-V229 VanDerWaalsContact O-CG2 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.41Å; V225-V229 PolarHBondContact O-N 3.01Å
226	F	96.9	Very high	93.3	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-35.2	-179	-72.6	-87.1	0	0	0	112.7	I76 L87 Y91 L124 I126 I145 V222 A230	I76-F226 HydrophobicContact CD1-CE1 3.81Å; I76-F226 HydrophobicContact CD1-CZ 3.65Å; L87-F226 HydrophobicContact CG-CE2 4.46Å; Y91-F226 HydrophobicContact CD1-CB 4.43Å; Y91-F226 AromaticContact CD1-CD1 3.75Å; Y91-F226 HydrophobicContact CD1-CD1 3.75Å; Y91-F226 AromaticContact CD1-CD2 3.73Å; Y91-F226 HydrophobicContact CD1-CD2 3.73Å; Y91-F226 AromaticContact CD1-CE1 3.8Å; Y91-F226 HydrophobicContact CD1-CE1 3.8Å; Y91-F226 AromaticContact CD1-CE2 3.8Å; Y91-F226 HydrophobicContact CD1-CE2 3.8Å; Y91-F226 AromaticContact CD1-CG 3.7Å; Y91-F226 HydrophobicContact CD1-CG 3.7Å; Y91-F226 AromaticContact CD1-CZ 3.83Å; Y91-F226 HydrophobicContact CD1-CZ 3.83Å; Y91-F226 HydrophobicContact CD2-CB 3.94Å; Y91-F226 AromaticContact CD2-CD2 3.39Å; Y91-F226 HydrophobicContact CD2-CD2 3.39Å; Y91-F226 HydrophobicContact CD2-CE2 4.02Å; Y91-F226 AromaticContact CD2-CG 3.73Å; Y91-F226 HydrophobicContact CD2-CG 3.73Å; Y91-F226 HydrophobicContact CE1-CB 3.97Å; Y91-F226 AromaticContact CE1-CD1 3.62Å; Y91-F226 HydrophobicContact CE1-CD1 3.62Å; Y91-F226 HydrophobicContact CE1-CD2 4.13Å; Y91-F226 HydrophobicContact CE1-CE1 4.09Å; Y91-F226 AromaticContact CE1-CG 3.64Å; Y91-F226 HydrophobicContact CE1-CG 3.64Å; Y91-F226 HydrophobicContact CE2-CB 3.4Å; Y91-F226 HydrophobicContact CE2-CD1 4.47Å; Y91-F226 AromaticContact CE2-CD2 3.82Å; Y91-F226 HydrophobicContact CE2-CD2 3.82Å; Y91-F226 AromaticContact CE2-CG 3.66Å; Y91-F226 HydrophobicContact CE2-CG 3.66Å; Y91-F226 HydrophobicContact CG-CB 4.43Å; Y91-F226 HydrophobicContact CG-CD1 4.25Å; Y91-F226 AromaticContact CG-CD2 3.34Å; Y91-F226 HydrophobicContact CG-CD2 3.34Å; Y91-F226 HydrophobicContact CG-CE1 4.35Å; Y91-F226 AromaticContact CG-CE2 3.49Å; Y91-F226 HydrophobicContact CG-CE2 3.49Å; Y91-F226 VanDerWaalsContact CG-CE2 3.49Å; Y91-F226 AromaticContact CG-CG 3.76Å; Y91-F226 HydrophobicContact CG-CG 3.76Å; Y91-F226 AromaticContact CG-CZ 4Å; Y91-F226 HydrophobicContact CG-CZ 4Å; Y91-F226 VanDerWaalsContact CZ-CB 3.44Å; Y91-F226 AromaticContact CZ-CG 3.64Å; L124-F226 HydrophobicContact CD2-CD1 4.32Å; I126-F226 HydrophobicContact CD1-CD1 4.42Å; I126-F226 HydrophobicContact CD1-CE1 3.91Å; I126-F226 HydrophobicContact CG1-CE1 4.39Å; I145-F226 HydrophobicContact CD1-CD1 4.15Å; I145-F226 HydrophobicContact CD1-CE1 3.93Å; I145-F226 HydrophobicContact CD1-CZ 4.21Å; V222-F226 WeakPolarHBondContact O-CD2 3.38Å; F226-A230 WeakPolarHBondContact O-CB 3.36Å; F226-A230 PolarHBondContact O-N 3.23Å
227	Q	96.6	Very high	93.2	Very high	30 Å²	30	45.1 Å²	45.1	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-43.7	175.2	-174.3	81.1	93.5	0	0	112.9	V116 E223 R224 V225 A230 Q231	V116-Q227 PolarHBondContact O-NE2 3.36Å; E223-Q227 VanDerWaalsContact O-CB 3.24Å; E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 PolarHBondContact O-N 3.43Å; E223-Q227 VanDerWaalsContact O-N 3.14Å; R224-Q227 PolarHBondContact O-N 3.04Å; V225-Q227 VanDerWaalsContact C-N 3.31Å; V225-Q227 PolarHBondContact O-N 2.82Å; Q227-A230 PolarHBondContact O-N 3.21Å; Q227-Q231 WeakPolarHBondContact O-CB 3.37Å; Q227-Q231 VanDerWaalsContact O-CG 3.26Å; Q227-Q231 WeakPolarHBondContact O-CG 3.42Å; Q227-Q231 PolarHBondContact O-N 3.48Å
228	D	96.1	Very high	93.1	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-46	175.5	171.9	47.9	0	0	0	111.1	T210 Y212 R224 V225 A230 Q231 K232	T210-D228 PolarHBondContact OG1-OD2 3.38Å; Y212-D228 HydrophobicContact CE2-CB 4.36Å; Y212-D228 WeakPolarHBondContact CE2-OD2 3.4Å; Y212-D228 PolarHBondContact OH-OD2 3.37Å; R224-D228 WeakPolarHBondContact O-CB 3.24Å; R224-D228 PolarHBondContact O-N 3.12Å; V225-D228 PolarHBondContact O-N 3.01Å; D228-A230 PolarHBondContact O-N 3.11Å; D228-Q231 PolarHBondContact O-N 3.12Å; D228-K232 VanDerWaalsContact CG-NZ 3.3Å; D228-K232 WeakPolarHBondContact O-CB 3.46Å; D228-K232 VanDerWaalsContact O-CG 3.32Å; D228-K232 WeakPolarHBondContact O-CG 3.21Å; D228-K232 PolarHBondContact O-N 3.23Å; D228-K232 WeakPolarHBondContact OD1-CE 3.37Å; D228-K232 IonicContact OD1-NZ 3.18Å; D228-K232 PolarHBondContact OD1-NZ 3.25Å; D228-K232 WeakPolarHBondContact OD2-CE 3.34Å; D228-K232 IonicContact OD2-NZ 2.67Å; D228-K232 PolarHBondContact OD2-NZ 3.04Å
229	V	96.4	Very high	93	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-50.9	174.9	172.6	0	0	0	0	111.3	V74 A143 I145 V178 V225 Q231 K232 I233	V74-V229 HydrophobicContact CB-CG1 4.48Å; V74-V229 HydrophobicContact CG1-CG1 4.07Å; V74-V229 HydrophobicContact CG2-CG1 3.52Å; A143-V229 HydrophobicContact CB-CG1 3.65Å; I145-V229 HydrophobicContact CD1-CG2 4.06Å; I145-V229 HydrophobicContact CG1-CG2 3.77Å; V178-V229 HydrophobicContact CB-CG2 4.04Å; V178-V229 HydrophobicContact CG2-CG2 3.52Å; V225-V229 VanDerWaalsContact O-CG2 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.41Å; V225-V229 PolarHBondContact O-N 3.01Å; V229-Q231 PolarHBondContact O-N 2.84Å; V229-K232 PolarHBondContact O-N 3.24Å; V229-I233 HydrophobicContact CG1-CD1 4.16Å; V229-I233 WeakPolarHBondContact O-CG1 3.24Å; V229-I233 PolarHBondContact O-N 3.47Å
230	A	96.1	Very high	92.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-39.7	-179.7	0	0	0	0	0	112.9	L72 I115 V117 F226 Q227 D228 K232 I233 V234	L72-A230 HydrophobicContact CD1-CB 3.94Å; I115-A230 HydrophobicContact CD1-CB 3.56Å; I115-A230 HydrophobicContact CG1-CB 4.45Å; I115-A230 HydrophobicContact CG2-CB 4.48Å; V117-A230 HydrophobicContact CG2-CB 3.78Å; F226-A230 WeakPolarHBondContact O-CB 3.36Å; F226-A230 PolarHBondContact O-N 3.23Å; Q227-A230 PolarHBondContact O-N 3.21Å; D228-A230 PolarHBondContact O-N 3.11Å; A230-K232 VanDerWaalsContact C-N 3.35Å; A230-K232 PolarHBondContact O-N 2.92Å; A230-I233 PolarHBondContact O-N 3.39Å; A230-V234 WeakPolarHBondContact O-CG2 3.3Å; A230-V234 PolarHBondContact O-N 2.91Å; A230-V234 VanDerWaalsContact O-N 3.07Å
231	Q	95.4	Very high	91.6	Very high	92 Å²	92	54.6 Å²	54.6	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-43.8	172.6	-77.6	173.6	3	0	0	111.6	V117 Q227 D228 V229 V234 A235	V117-Q231 HydrophobicContact CG1-CG 3.94Å; Q227-Q231 WeakPolarHBondContact O-CB 3.37Å; Q227-Q231 VanDerWaalsContact O-CG 3.26Å; Q227-Q231 WeakPolarHBondContact O-CG 3.42Å; Q227-Q231 PolarHBondContact O-N 3.48Å; D228-Q231 PolarHBondContact O-N 3.12Å; V229-Q231 PolarHBondContact O-N 2.84Å; Q231-V234 PolarHBondContact O-N 3.05Å; Q231-A235 WeakPolarHBondContact O-CB 3.16Å; Q231-A235 PolarHBondContact O-N 2.88Å
232	K	94.4	Very high	90.2	Very high	50 Å²	50	60.7 Å²	60.7	22%	0.217	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-39.2	177.3	-73.9	164.5	170.2	166.4	0	113.3	P176 T210 D228 V229 A230 A235 T236	P176-K232 HydrophobicContact CB-CB 3.64Å; P176-K232 HydrophobicContact CB-CD 4.17Å; P176-K232 HydrophobicContact CB-CG 4.46Å; P176-K232 HydrophobicContact CG-CB 3.85Å; T210-K232 PolarHBondContact OG1-NZ 3.34Å; D228-K232 VanDerWaalsContact CG-NZ 3.3Å; D228-K232 WeakPolarHBondContact O-CB 3.46Å; D228-K232 VanDerWaalsContact O-CG 3.32Å; D228-K232 WeakPolarHBondContact O-CG 3.21Å; D228-K232 PolarHBondContact O-N 3.23Å; D228-K232 WeakPolarHBondContact OD1-CE 3.37Å; D228-K232 IonicContact OD1-NZ 3.18Å; D228-K232 PolarHBondContact OD1-NZ 3.25Å; D228-K232 WeakPolarHBondContact OD2-CE 3.34Å; D228-K232 IonicContact OD2-NZ 2.67Å; D228-K232 PolarHBondContact OD2-NZ 3.04Å; V229-K232 PolarHBondContact O-N 3.24Å; A230-K232 VanDerWaalsContact C-N 3.35Å; A230-K232 PolarHBondContact O-N 2.92Å; K232-A235 PolarHBondContact O-N 3.33Å; K232-T236 WeakPolarHBondContact O-CB 3.26Å; K232-T236 PolarHBondContact O-N 2.81Å; K232-T236 PolarHBondContact O-OG1 3.37Å
233	I	94.5	Very high	88.6	Confident	2 Å²	2	65 Å²	65	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-50.1	173.5	-63.1	163.9	0	0	0	109.8	L72 V74 D142 A143 V229 A230 A235 T236 R237	L72-I233 HydrophobicContact CB-CD1 4.23Å; L72-I233 HydrophobicContact CD2-CB 4.06Å; L72-I233 HydrophobicContact CD2-CG2 3.48Å; L72-I233 VanDerWaalsContact CD2-CG2 3.48Å; V74-I233 HydrophobicContact CG2-CD1 3.82Å; D142-I233 HydrophobicContact CB-CB 4.3Å; D142-I233 HydrophobicContact CB-CD1 3.73Å; D142-I233 HydrophobicContact CB-CG1 3.73Å; D142-I233 HydrophobicContact CB-CG2 3.57Å; A143-I233 HydrophobicContact CB-CD1 3.79Å; A143-I233 HydrophobicContact CB-CG1 3.6Å; V229-I233 HydrophobicContact CG1-CD1 4.16Å; V229-I233 WeakPolarHBondContact O-CG1 3.24Å; V229-I233 PolarHBondContact O-N 3.47Å; A230-I233 PolarHBondContact O-N 3.39Å; I233-A235 VanDerWaalsContact C-N 3.35Å; I233-A235 PolarHBondContact O-N 3.44Å; I233-T236 PolarHBondContact O-N 3.12Å; I233-R237 HydrophobicContact CG2-CG 4.36Å; I233-R237 WeakPolarHBondContact O-CB 3.43Å; I233-R237 WeakPolarHBondContact O-CG 3.2Å; I233-R237 PolarHBondContact O-N 2.77Å
234	V	93.8	Very high	86.8	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-62.1	-41.6	-179.6	171.2	0	0	0	0	111.3	L72 V117 Y122 A230 Q231 K238	L72-V234 HydrophobicContact CD1-CG2 4.44Å; L72-V234 HydrophobicContact CD2-CG2 4.03Å; V117-V234 HydrophobicContact CB-CG2 4.24Å; V117-V234 HydrophobicContact CG1-CB 4.07Å; V117-V234 HydrophobicContact CG1-CG1 4.23Å; V117-V234 HydrophobicContact CG1-CG2 3.96Å; Y122-V234 HydrophobicContact CE1-CG2 4.01Å; Y122-V234 HydrophobicContact CE2-CG2 4.14Å; A230-V234 WeakPolarHBondContact O-CG2 3.3Å; A230-V234 PolarHBondContact O-N 2.91Å; A230-V234 VanDerWaalsContact O-N 3.07Å; Q231-V234 PolarHBondContact O-N 3.05Å; V234-K238 HydrophobicContact CG1-CD 4.04Å; V234-K238 WeakPolarHBondContact O-CB 3.41Å; V234-K238 VanDerWaalsContact O-CG 3.24Å; V234-K238 WeakPolarHBondContact O-CG 3.36Å; V234-K238 PolarHBondContact O-N 3.02Å
235	A	91.6	Very high	84.2	Confident	57 Å²	57	62.3 Å²	62.3	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.3	0	0	0	0	0	112.9	Q231 K232 I233 K238 K239	Q231-A235 WeakPolarHBondContact O-CB 3.16Å; Q231-A235 PolarHBondContact O-N 2.88Å; K232-A235 PolarHBondContact O-N 3.33Å; I233-A235 VanDerWaalsContact C-N 3.35Å; I233-A235 PolarHBondContact O-N 3.44Å; A235-K238 PolarHBondContact O-N 2.73Å; A235-K239 WeakPolarHBondContact O-CB 3.3Å; A235-K239 PolarHBondContact O-N 2.9Å
236	T	89.1	Confident	81.5	Confident	43 Å²	43	68.6 Å²	68.6	26%	0.264	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-45.4	177.3	-63.7	0	0	0	0	111.4	K232 I233 K239 Q240	K232-T236 WeakPolarHBondContact O-CB 3.26Å; K232-T236 PolarHBondContact O-N 2.81Å; K232-T236 PolarHBondContact O-OG1 3.37Å; I233-T236 PolarHBondContact O-N 3.12Å; T236-K239 WeakPolarHBondContact O-CB 3.22Å; T236-K239 PolarHBondContact O-N 3.27Å; T236-Q240 WeakPolarHBondContact O-CG 3.37Å; T236-Q240 PolarHBondContact O-N 3.41Å
237	R	88.9	Confident	78.4	Confident	73 Å²	73	74.8 Å²	74.8	28%	0.275	41%	0.412	S	S	.	.	H	α-helix	trans	-63.1	-41.7	175.3	-70.7	175.1	173.8	-170.4	-0.5	112.1	E71 D142 I233 K239 Q240 Q241	E71-R237 VanDerWaalsContact O-CZ 3.27Å; E71-R237 PolarHBondContact O-NH1 3.29Å; E71-R237 PolarHBondContact O-NH2 2.83Å; D142-R237 IonicContact OD1-CZ 3.24Å; D142-R237 VanDerWaalsContact OD1-CZ 3.24Å; D142-R237 IonicContact OD1-NE 2.97Å; D142-R237 PolarHBondContact OD1-NE 2.66Å; D142-R237 IonicContact OD1-NH2 2.78Å; D142-R237 PolarHBondContact OD1-NH2 2.85Å; D142-R237 IonicContact OD2-CZ 3.74Å; D142-R237 IonicContact OD2-NH2 2.75Å; D142-R237 PolarHBondContact OD2-NH2 2.69Å; I233-R237 HydrophobicContact CG2-CG 4.36Å; I233-R237 WeakPolarHBondContact O-CB 3.43Å; I233-R237 WeakPolarHBondContact O-CG 3.2Å; I233-R237 PolarHBondContact O-N 2.77Å; R237-K239 PolarHBondContact O-N 2.93Å; R237-Q240 PolarHBondContact O-N 3.37Å; R237-Q241 WeakPolarHBondContact O-CG 3.48Å; R237-Q241 PolarHBondContact O-N 2.82Å
238	K	86.4	Confident	75.7	Confident	91 Å²	91	83.3 Å²	83.3	40%	0.396	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-43.3	172.7	-77.1	171.6	177.4	-177.4	0	111.9	D118 V234 A235 Q241 L242	D118-K238 IonicContact OD2-NZ 2.78Å; D118-K238 PolarHBondContact OD2-NZ 3.33Å; V234-K238 HydrophobicContact CG1-CD 4.04Å; V234-K238 WeakPolarHBondContact O-CB 3.41Å; V234-K238 VanDerWaalsContact O-CG 3.24Å; V234-K238 WeakPolarHBondContact O-CG 3.36Å; V234-K238 PolarHBondContact O-N 3.02Å; A235-K238 PolarHBondContact O-N 2.73Å; K238-Q241 PolarHBondContact O-N 3.06Å; K238-L242 WeakPolarHBondContact O-CG 3.3Å; K238-L242 PolarHBondContact O-N 3.14Å; K238-L242 VanDerWaalsContact O-N 3.11Å
239	K	83.3	Confident	72.7	Confident	163 Å²	163	87.9 Å²	87.9	71%	0.709	48%	0.483	S	S	*	.	H	α-helix	trans	-63.2	-42.7	176.2	-174.9	-178.7	177.3	-175.4	0	112.1	A235 T236 R237 L242 S243	A235-K239 WeakPolarHBondContact O-CB 3.3Å; A235-K239 PolarHBondContact O-N 2.9Å; T236-K239 WeakPolarHBondContact O-CB 3.22Å; T236-K239 PolarHBondContact O-N 3.27Å; R237-K239 PolarHBondContact O-N 2.93Å; K239-L242 PolarHBondContact O-N 2.71Å; K239-S243 PolarHBondContact O-N 3.19Å
240	Q	78	Confident	69.5	Low	94 Å²	94	95.8 Å²	95.8	44%	0.439	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-44.4	176.3	-73	167.8	-16.8	0	0	111.8	T236 R237 L242 S243	T236-Q240 WeakPolarHBondContact O-CG 3.37Å; T236-Q240 PolarHBondContact O-N 3.41Å; R237-Q240 PolarHBondContact O-N 3.37Å; Q240-L242 VanDerWaalsContact C-N 3.32Å; Q240-L242 PolarHBondContact O-N 3.38Å; Q240-S243 WeakPolarHBondContact CA-OG 3.38Å; Q240-S243 PolarHBondContact O-N 2.9Å; Q240-S243 VanDerWaalsContact O-N 3.1Å; Q240-S243 PolarHBondContact O-OG 2.97Å
241	Q	72.6	Confident	67.3	Low	141 Å²	141	100.8 Å²	100.8	66%	0.659	56%	0.556	S	S	*	*	H	α-helix	trans	-59.3	-40.5	175.5	-73.6	174.4	-8.6	0	0	112.5	R237 K238 S243 I244	R237-Q241 WeakPolarHBondContact O-CG 3.48Å; R237-Q241 PolarHBondContact O-N 2.82Å; K238-Q241 PolarHBondContact O-N 3.06Å; Q241-S243 VanDerWaalsContact C-N 3.28Å; Q241-S243 PolarHBondContact O-N 2.96Å; Q241-I244 PolarHBondContact O-N 3.42Å
242	L	65.7	Low	64.1	Low	159 Å²	159	103.2 Å²	103.2	83%	0.832	57%	0.572	S	S	*	*	H	α-helix	trans	-71.1	-19.4	177.1	-70.1	169	0	0	0	113.9	K238 K239 Q240	K238-L242 WeakPolarHBondContact O-CG 3.3Å; K238-L242 PolarHBondContact O-N 3.14Å; K238-L242 VanDerWaalsContact O-N 3.11Å; K239-L242 PolarHBondContact O-N 2.71Å; Q240-L242 VanDerWaalsContact C-N 3.32Å; Q240-L242 PolarHBondContact O-N 3.38Å
243	S	58.8	Low	60.9	Low	94 Å²	94	106 Å²	106	66%	0.657	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-6.9	175.1	60.6	0	0	0	0	114.6	K239 Q240 Q241	K239-S243 PolarHBondContact O-N 3.19Å; Q240-S243 WeakPolarHBondContact CA-OG 3.38Å; Q240-S243 PolarHBondContact O-N 2.9Å; Q240-S243 VanDerWaalsContact O-N 3.1Å; Q240-S243 PolarHBondContact O-OG 2.97Å; Q241-S243 VanDerWaalsContact C-N 3.28Å; Q241-S243 PolarHBondContact O-N 2.96Å
244	I	56.3	Low	58.5	Low	135 Å²	135	111.5 Å²	111.5	69%	0.692	63%	0.634	S	S	*	*	S	Bend	trans	-101.5	108.5	176.9	-60.6	172.4	0	0	0	108.7	Q241	Q241-I244 PolarHBondContact O-N 3.42Å
245	G	40.5	Very low	55.3	Low	53 Å²	53	117.2 Å²	117.2	55%	0.546	67%	0.674	S	S	.	*			trans	-65.7	155.1	-178.7	0	0	0	0	0	114	C247	G245-C247 PolarHBondContact O-N 3.29Å
246	P	40.1	Very low	52.3	Low	133 Å²	133	123.1 Å²	123.1	86%	0.864	69%	0.691	S	S	*	*			trans	-78.2	90.9	-170.3	31.3	-36.4	0	0	0	113.6
247	C	31.7	Very low	49.7	Very low	132 Å²	132	126.2 Å²	126.2	89%	0.892	72%	0.715	S	S	*	*			trans	-79.5	134.8	163.7	-72.7	0	0	0	0	111	G245	G245-C247 PolarHBondContact O-N 3.29Å
248	K	39.8	Very low	46.8	Very low	208 Å²	208	128.4 Å²	128.4	90%	0.904	74%	0.741	S	S	*	*			trans	-91.7	128.2	-170.9	-57.3	172.9	-177.6	174.6	0	112.9
249	S	32.4	Very low	44	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	76%	0.761	S	S	*	*			trans	-169.2	153.9	142.9	52.8	0	0	0	0	113.4
250	L	29.9	Very low	41.2	Very low	167 Å²	167	128.4 Å²	128.4	87%	0.874	77%	0.766	S	S	*	*			trans	-151.2	160.3	174.6	-82.1	170.3	0	0	0	106.6
251	P	50	Low	38.9	Very low	104 Å²	104	128.8 Å²	128.8	68%	0.675	78%	0.779	S	S	*	*			cis	-134	-178.7	-23	38.3	-21.3	0	0	0	114.1
252	N	28.2	Very low	36.6	Very low	144 Å²	144	126.8 Å²	126.8	77%	0.77	79%	0.787	S	S	*	*			trans	69.3	107.4	156.7	-72.3	3	0	0	0	122.3
253	S	26.6	Very low	34.8	Very low	108 Å²	108	128 Å²	128	76%	0.755	79%	0.788	S	S	*	*			trans	75.5	163.6	131.5	-48.7	0	0	0	0	119.1
254	P	44.1	Very low	33.2	Very low	117 Å²	117	129.4 Å²	129.4	76%	0.76	79%	0.793	S	S	*	*				-127.8	152.6	-67	36.5	-22.8	0	0	0	111.9
255	S	27.6	Very low	31.7	Very low	125 Å²	125	128.8 Å²	128.8	87%	0.874	80%	0.8	S	S	*	*			trans	-153.5	157.9	174	-85	0	0	0	0	114.6
256	H	28.8	Very low	31.1	Very low	182 Å²	182	131 Å²	131	84%	0.843	81%	0.813	S	S	*	*			trans	-82.1	164.7	-160.7	-76.7	-112.1	0	0	0	115.1
257	S	33.3	Very low	30.6	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	81%	0.811	S	S	*	*			trans	-43.8	141.2	164.6	50.7	0	0	0	0	115.9
258	S	28.4	Very low	30.3	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	81%	0.81	S	S	*	*			trans	-149.5	142.4	137	52.8	0	0	0	0	110.8
259	V	27.1	Very low	29.6	Very low	133 Å²	133	131.4 Å²	131.4	81%	0.806	81%	0.805	S	S	*	*			trans	-93.6	143.9	172.4	172.3	0	0	0	0	108.2
260	C	26.2	Very low	29.3	Very low	120 Å²	120	129.8 Å²	129.8	81%	0.811	80%	0.795	S	S	*	*			trans	-152.2	117.3	148.5	-107.9	0	0	0	0	113.1
261	S	27.7	Very low	29.2	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	79%	0.79	S	S	*	*			trans	-13.2	132.9	149.1	49.7	0	0	0	0	117.5
262	A	24.5	Very low	28.1	Very low	99 Å²	99	130.5 Å²	130.5	82%	0.818	79%	0.792	S	S	*	*			trans	-86.4	141.2	158.4	0	0	0	0	0	110.9
263	Q	27.9	Very low	28.1	Very low	184 Å²	184	128.4 Å²	128.4	86%	0.86	79%	0.789	S	S	*	*			trans	-139.7	124.2	153.2	-82.7	-155.1	-27.6	0	0	112.2
264	V	26.1	Very low	28.3	Very low	124 Å²	124	131.2 Å²	131.2	75%	0.752	80%	0.796	S	S	*	*			trans	43.4	103.5	143.2	-164.8	0	0	0	0	119.4
265	S	25	Very low	27.5	Very low	121 Å²	121	129.4 Å²	129.4	85%	0.846	80%	0.798	S	S	*	*			trans	22.4	117.2	132.5	-50.1	0	0	0	0	120.8
266	A	27.9	Very low	27.4	Very low	99 Å²	99	127.6 Å²	127.6	82%	0.818	80%	0.799	S	S	*	*			trans	-144.4	121.4	148.3	0	0	0	0	0	112.7
267	V	29.5	Very low	27.3	Very low	137 Å²	137	122.6 Å²	122.6	83%	0.83	80%	0.797	S	S	*	*			trans	17.1	125.8	155.8	-172.8	0	0	0	0	120.2
268	H	24.7	Very low	26.9	Very low	187 Å²	187	122.4 Å²	122.4	87%	0.866	80%	0.796	S	S	*	*			trans	-69.2	126.2	167.6	-150	-91.1	0	0	0	112
269	I	26.1	Very low	26.8	Very low	158 Å²	158	123.9 Å²	123.9	81%	0.81	79%	0.794	S	S	*	*			trans	-154.3	166.2	157.3	-113.7	165.1	0	0	0	111.7
270	S	26.6	Very low	27.1	Very low	87 Å²	87	122 Å²	122	61%	0.608	79%	0.787	S	S	*	*			trans	-82.6	154.1	-150.2	52.2	0	0	0	0	119.2
271	Q	27.3	Very low	27.3	Very low	168 Å²	168	123.8 Å²	123.8	79%	0.785	79%	0.788	S	S	*	*			trans	85	119.2	135.9	-82.9	170.1	-0	0	0	122.6
272	T	26.7	Very low	27.2	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	79%	0.79	S	S	*	*			trans	67.3	123.6	133.1	56.5	0	0	0	0	123.7
273	S	28.6	Very low	27.3	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	79%	0.791	S	S	*	*			trans	89.5	131.2	130.4	73.6	0	0	0	0	121.3
274	N	29.2	Very low	27.3	Very low	166 Å²	166	124.6 Å²	124.6	89%	0.888	78%	0.779	S	S	*	*			trans	36.4	137.9	140	-60.1	-0.2	0	0	0	121.7
275	G	27.8	Very low	27.4	Very low	79 Å²	79	123.4 Å²	123.4	81%	0.814	78%	0.776	S	S	*	*			trans	138.9	102.1	145.3	0	0	0	0	0	113
276	G	26.6	Very low	27.6	Very low	87 Å²	87	124 Å²	124	90%	0.897	78%	0.775	S	S	*	*			trans	-83.7	136.5	179.6	0	0	0	0	0	113.6
277	G	25.6	Very low	28.1	Very low	77 Å²	77	124.5 Å²	124.5	79%	0.794	77%	0.769	S	S	*	*				99.1	168	126.1	0	0	0	0	0	120
278	S	25.9	Very low	28	Very low	105 Å²	105	122.6 Å²	122.6	73%	0.734	76%	0.762	S	S	*	*			trans	84.4	98.6	157.3	-160.2	0	0	0	0	119.8
279	L	25.8	Very low	28.1	Very low	150 Å²	150	120 Å²	120	79%	0.785	76%	0.759	S	S	*	*				61.8	119	127.2	-59.7	176.5	0	0	0	118.7
280	S	32.4	Very low	28.5	Very low	94 Å²	94	118.6 Å²	118.6	66%	0.657	76%	0.761	S	S	*	*				95.2	146.2	98.6	67.8	0	0	0	0	112.8
281	D	30.3	Very low	28.4	Very low	156 Å²	156	119.5 Å²	119.5	83%	0.834	77%	0.767	S	S	*	*			cis	-159.8	168.2	-9.4	-108.6	-24.7	0	0	0	108.1
282	Y	26.3	Very low	28.3	Very low	198 Å²	198	118.2 Å²	118.2	78%	0.776	77%	0.771	S	S	*	*				157	122.1	122.2	-164.5	-93.1	0	0	0	112.9
283	S	26.3	Very low	28.1	Very low	119 Å²	119	118 Å²	118	83%	0.832	77%	0.774	S	S	*	*			trans	-166.1	134.7	150.4	-83.1	0	0	0	0	111.6
284	S	28.8	Very low	28.1	Very low	87 Å²	87	122.4 Å²	122.4	61%	0.608	78%	0.783	S	S	*	*			trans	-93.6	168.9	165.6	61.7	0	0	0	0	109.5
285	S	28.2	Very low	28	Very low	98 Å²	98	124.3 Å²	124.3	69%	0.685	78%	0.784	S	S	*	*			cis	-159.3	148.3	16.7	-16.3	0	0	0	0	112.1
286	V	28.3	Very low	27.9	Very low	135 Å²	135	127.9 Å²	127.9	82%	0.818	78%	0.779	S	S	*	*			trans	-8.3	167.1	153.4	-63.6	0	0	0	0	121.7
287	P	38.2	Very low	28	Very low	108 Å²	108	131.4 Å²	131.4	70%	0.701	78%	0.777	S	S	*	*			cis	-135.3	154.7	4.5	20.4	5.3	0	0	0	119.3
288	S	27.5	Very low	27.9	Very low	98 Å²	98	137 Å²	137	69%	0.685	77%	0.774	S	S	*	*			trans	51	117.8	134.5	-51.3	0	0	0	0	122.4
289	T	28.1	Very low	27.9	Very low	131 Å²	131	138.7 Å²	138.7	80%	0.804	77%	0.773	S	S	*	*				73.6	141.8	55.3	71.5	0	0	0	0	114.4
290	P	34.6	Very low	27.8	Very low	130 Å²	130	138.3 Å²	138.3	84%	0.844	77%	0.772	S	S	*	*			cis	-140.3	177.5	41.4	42.4	-23.7	0	0	0	118.9
291	S	24.1	Very low	27.7	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	78%	0.782	S	S	*	*			trans	-115	166	176.6	57.7	0	0	0	0	111.8
292	T	24.6	Very low	27.6	Very low	141 Å²	141	138.3 Å²	138.3	87%	0.865	78%	0.775	S	S	*	*			trans	146.6	153.3	163.5	39.1	0	0	0	0	108.9
293	S	22.9	Very low	28.4	Very low	111 Å²	111	134 Å²	134	78%	0.776	77%	0.772	S	S	*	*			cis	-156.1	170.6	-11.2	50	0	0	0	0	109.4
294	Q	28.1	Very low	28.3	Very low	194 Å²	194	134.5 Å²	134.5	91%	0.907	77%	0.77	S	S	*	*			trans	-85.3	145.1	165.1	-73.6	-177.7	-20.8	0	0	111.3
295	K	27.6	Very low	28.2	Very low	206 Å²	206	134.2 Å²	134.2	90%	0.896	77%	0.773	S	S	*	*			trans	-156	147.5	150.5	-143.8	169.6	-174	176.1	0	112.2
296	E	26.1	Very low	28.2	Very low	154 Å²	154	137.3 Å²	137.3	72%	0.72	78%	0.782	S	S	*	*			trans	-66.4	155	168.2	-58.1	170.1	86.7	0	0	111.3
297	L	27.3	Very low	28.3	Very low	162 Å²	162	136.5 Å²	136.5	85%	0.848	78%	0.777	S	S	*	*				-166.7	162	111.3	-102.6	166.3	0	0	0	113
298	R	24.8	Very low	28.1	Very low	193 Å²	193	137.5 Å²	137.5	73%	0.728	78%	0.784	S	S	*	*			trans	-84.8	173.8	-176.4	-58.1	166.4	161.5	74.7	-2.2	112.2
299	I	25.6	Very low	28.3	Very low	142 Å²	142	137.8 Å²	137.8	73%	0.728	78%	0.782	S	S	*	*			trans	115.6	131.6	145	-67.9	152.3	0	0	0	117.1
300	D	24.5	Very low	28.9	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	78%	0.784	S	S	*	*			trans	56	135.5	161.6	-63.7	-14.5	0	0	0	124.2
301	V	29.1	Very low	28.7	Very low	145 Å²	145	137 Å²	137	88%	0.879	78%	0.776	S	S	*	*			trans	-134.8	106	159.9	176.5	0	0	0	0	110
302	P	28.4	Very low	28.9	Very low	106 Å²	106	142.6 Å²	142.6	69%	0.688	78%	0.781	S	S	*	*			trans	-108.2	170.4	156.1	35.5	-23.1	0	0	0	110.1
303	P	43.4	Very low	29.2	Very low	107 Å²	107	142.9 Å²	142.9	70%	0.695	77%	0.77	S	S	*	*				-132.7	-162.8	-118.3	39.7	-21.3	0	0	0	115.9
304	T	24.3	Very low	29.5	Very low	129 Å²	129	145.3 Å²	145.3	79%	0.791	77%	0.769	S	S	*	*			trans	77.1	117.8	158.6	51.9	0	0	0	0	120.9
305	A	26.9	Very low	29.4	Very low	82 Å²	82	141.9 Å²	141.9	68%	0.678	77%	0.767	S	S	*	*				60.5	134.1	127.6	0	0	0	0	0	121.5
306	N	27.7	Very low	29.7	Very low	162 Å²	162	140.9 Å²	140.9	87%	0.866	76%	0.763	S	S	*	*				-161.9	154.9	101.1	-95.2	-42.9	0	0	0	113
307	T	30.9	Very low	30	Very low	119 Å²	119	145.3 Å²	145.3	73%	0.73	77%	0.773	S	S	*	*			trans	-149.2	148.2	175.1	-37.8	0	0	0	0	108.4
308	P	34.3	Very low	30.1	Very low	128 Å²	128	147.4 Å²	147.4	83%	0.831	77%	0.769	S	S	*	*			trans	-119	145	154.1	11.7	9.3	0	0	0	112.4
309	T	31.7	Very low	30.6	Very low	105 Å²	105	142.6 Å²	142.6	64%	0.644	77%	0.765	S	S	*	*			trans	-116.6	171.4	173.8	53.2	0	0	0	0	110.2	V311	T309-V311 WeakPolarHBondContact OG1-CG2 3.44Å
310	P	41	Very low	30.7	Very low	132 Å²	132	142.4 Å²	142.4	86%	0.857	77%	0.766	S	S	*	*				-137.2	-177.5	122.5	37.1	-25.6	0	0	0	113.6
311	V	28.6	Very low	30.8	Very low	111 Å²	111	142.5 Å²	142.5	67%	0.673	77%	0.765	S	S	*	*				-169.5	118.8	-102.2	148.1	0	0	0	0	110	T309	T309-V311 WeakPolarHBondContact OG1-CG2 3.44Å
312	R	29.8	Very low	30.8	Very low	224 Å²	224	144 Å²	144	85%	0.845	76%	0.76	S	S	*	*			trans	172.2	146.7	154.2	-100.2	162.8	-175.8	-164	1.5	112.4
313	K	29.8	Very low	30.7	Very low	147 Å²	147	144.9 Å²	144.9	64%	0.639	76%	0.764	S	S	*	*			cis	-162.2	127.3	-5.7	-152.3	177.3	-178.2	-172.1	0	112.8
314	Q	28.8	Very low	29.9	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	77%	0.771	S	S	*	*			trans	46.3	144.5	142.1	-63.1	166	-20.9	0	0	120.9
315	S	27.7	Very low	30.3	Very low	122 Å²	122	150.7 Å²	150.7	85%	0.853	78%	0.776	S	S	*	*			cis	-148.9	-175	48.4	-164.1	0	0	0	0	114.9
316	K	32.4	Very low	30.3	Very low	186 Å²	186	154.4 Å²	154.4	81%	0.809	78%	0.777	S	S	*	*			trans	-136.4	155.2	-159.9	-58	177.3	176.1	-177.9	0	116.2
317	R	32.4	Very low	30.3	Very low	247 Å²	247	150 Å²	150	93%	0.932	77%	0.771	S	S	*	*			trans	165.2	153	131.3	-96.4	177.3	176.4	-163.6	-1.2	110.2
318	R	30	Very low	30.1	Very low	206 Å²	206	148.1 Å²	148.1	78%	0.777	76%	0.762	S	S	*	*			cis	-146.9	-130.5	-14.7	-167.4	-144.6	156.5	153	-1.1	109.1
319	S	36.3	Very low	29.8	Very low	92 Å²	92	148.1 Å²	148.1	64%	0.643	76%	0.755	S	S	*	*			trans	-175.2	166.8	-172.8	57.6	0	0	0	0	110.3
320	N	26.6	Very low	30.2	Very low	138 Å²	138	148.9 Å²	148.9	74%	0.738	76%	0.761	S	S	*	*			trans	-157.9	-174.9	153.7	-131.4	53.9	0	0	0	111
321	L	27.6	Very low	29.6	Very low	143 Å²	143	148.6 Å²	148.6	75%	0.749	75%	0.753	S	S	*	*			trans	-150.2	141.1	-149.7	-161.9	62.1	0	0	0	117.6
322	F	27.6	Very low	29.6	Very low	176 Å²	176	152 Å²	152	77%	0.772	76%	0.759	S	S	*	*			trans	38.1	136.6	155.5	-78	-55.2	0	0	0	126.2
323	T	27.9	Very low	29.7	Very low	124 Å²	124	149.5 Å²	149.5	76%	0.761	76%	0.757	S	S	*	*			trans	63.8	139.6	138.3	55.9	0	0	0	0	125.3
324	S	26.1	Very low	29.9	Very low	122 Å²	122	151.5 Å²	151.5	85%	0.853	77%	0.765	S	S	*	*				-158.7	177.2	127.3	-158.7	0	0	0	0	113.9
325	R	31.3	Very low	29.9	Very low	237 Å²	237	153.8 Å²	153.8	89%	0.894	77%	0.773	S	S	*	*			trans	-150.8	169	-168.7	-62.9	173.1	175.3	171.3	-2.8	111.1
326	K	28.8	Very low	30	Very low	159 Å²	159	151.4 Å²	151.4	69%	0.691	77%	0.767	S	S	*	*			cis	-145.5	154.3	-20.2	171.6	-171	-175.9	-138.5	0	105.4	S328 D329	K326-S328 VanDerWaalsContact CE-CB 3.5Å; K326-S328 WeakPolarHBondContact CE-OG 3.49Å; K326-S328 PolarHBondContact NZ-OG 3.14Å; K326-D329 IonicContact NZ-OD1 2.71Å; K326-D329 PolarHBondContact NZ-OD1 3.04Å; K326-D329 IonicContact NZ-OD2 3.77Å; K326-D329 PolarHBondContact NZ-OD2 3.48Å
327	G	26.7	Very low	29.7	Very low	71 Å²	71	150.8 Å²	150.8	73%	0.732	77%	0.772	S	S	*	*			trans	-149.6	151.7	160.5	0	0	0	0	0	111.7
328	S	26.5	Very low	29.6	Very low	78 Å²	78	146.9 Å²	146.9	55%	0.545	76%	0.764	S	S	.	*			trans	179.7	-178.9	-158.5	60.2	0	0	0	0	112.6	K326	K326-S328 VanDerWaalsContact CE-CB 3.5Å; K326-S328 WeakPolarHBondContact CE-OG 3.49Å; K326-S328 PolarHBondContact NZ-OG 3.14Å
329	D	28	Very low	29.4	Very low	129 Å²	129	142.6 Å²	142.6	69%	0.69	77%	0.766	S	S	*	*			cis	-124.8	-63.4	3.6	-60.6	-95.5	0	0	0	115.9	K326	K326-D329 IonicContact NZ-OD1 2.71Å; K326-D329 PolarHBondContact NZ-OD1 3.04Å; K326-D329 IonicContact NZ-OD2 3.77Å; K326-D329 PolarHBondContact NZ-OD2 3.48Å
330	P	40.3	Very low	29.2	Very low	120 Å²	120	148.5 Å²	148.5	78%	0.779	77%	0.774	S	S	*	*			trans	-132.3	148.5	-149.9	39	-21.5	0	0	0	120
331	D	27.6	Very low	29.3	Very low	126 Å²	126	146.7 Å²	146.7	67%	0.674	78%	0.778	S	S	*	*				-169.3	150	108.2	-162.3	16.8	0	0	0	113.4
332	K	30.4	Very low	29.4	Very low	183 Å²	183	146.8 Å²	146.8	80%	0.796	78%	0.779	S	S	*	*			trans	64.7	150.7	166	-80.4	158	-171	122.1	0	122.2
333	E	30.3	Very low	29.6	Very low	172 Å²	172	143 Å²	143	80%	0.804	78%	0.775	S	S	*	*			trans	-111.7	-179.1	-158.7	-51.3	-174.5	114.7	0	0	116.2
334	K	34.1	Very low	29.7	Very low	189 Å²	189	145.6 Å²	145.6	82%	0.822	78%	0.782	S	S	*	*			trans	76.8	86.7	158.1	-70.5	-178.5	179.8	174	0	118.3
335	K	30.5	Very low	29.9	Very low	210 Å²	210	143.6 Å²	143.6	91%	0.913	78%	0.78	S	S	*	*			trans	-142.2	151.8	132.8	-104.3	170.8	-176.2	178.3	0	109.8
336	G	27.8	Very low	30	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.5	157.9	-179.4	0	0	0	0	0	112.8	E338	G336-E338 PolarHBondContact O-N 2.94Å
337	L	27.4	Very low	30.5	Very low	174 Å²	174	133.5 Å²	133.5	91%	0.911	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.3	123.5	-177.5	-86.9	67.8	0	0	0	112.2
338	E	29.3	Very low	32.2	Very low	165 Å²	165	134.8 Å²	134.8	77%	0.771	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-74.5	148.1	141.1	-61.8	-174.3	151.1	0	0	108.7	G336	G336-E338 PolarHBondContact O-N 2.94Å
339	S	27.1	Very low	33.9	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	76%	0.757	S	S	*	*			trans	-119.7	95.3	168.9	-169.6	0	0	0	0	109.6
340	R	32.6	Very low	36.1	Very low	216 Å²	216	134.7 Å²	134.7	82%	0.815	76%	0.76	S	S	*	*			trans	-83.6	125.4	163.2	-70.6	-173.6	-179.3	-162.9	-0.9	108.5
341	A	28.3	Very low	38.1	Very low	99 Å²	99	129.8 Å²	129.8	82%	0.818	73%	0.728	S	S	*	*			trans	-126	99.1	169	0	0	0	0	0	108.6
342	D	29.8	Very low	40.9	Very low	145 Å²	145	128.5 Å²	128.5	78%	0.775	72%	0.72	S	S	*	*			trans	-89.8	142.1	171.5	-97.6	-56	0	0	0	110.6
343	S	30.6	Very low	43.7	Very low	97 Å²	97	122.4 Å²	122.4	68%	0.678	69%	0.694	S	S	*	*			trans	58.8	85.4	160.8	-61.6	0	0	0	0	118.2
344	I	31	Very low	46.7	Very low	179 Å²	179	119.2 Å²	119.2	92%	0.918	68%	0.679	S	S	*	*	S	Bend		-160.4	131.1	109.5	-97.1	153.7	0	0	0	108.6
345	G	29.2	Very low	49.4	Very low	79 Å²	79	111 Å²	111	81%	0.814	65%	0.648	S	S	*	*			trans	93.2	1.1	167.9	0	0	0	0	0	118.3	G347	G345-G347 PolarHBondContact O-N 3.07Å
346	S	33.5	Very low	52.3	Low	114 Å²	114	105.2 Å²	105.2	80%	0.797	63%	0.625	S	S	*	*			trans	-71.5	89.6	174.7	58.4	0	0	0	0	111.6
347	G	40.7	Very low	55.4	Low	70 Å²	70	101.9 Å²	101.9	72%	0.722	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-62.5	159.5	172.7	0	0	0	0	0	112.7	G345	G345-G347 PolarHBondContact O-N 3.07Å
348	R	61.5	Low	58.4	Low	98 Å²	98	95.8 Å²	95.8	37%	0.37	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-64.8	156.4	168.6	-65.3	170.8	178.8	-81.5	-15.8	109.9	I350 Y391 M392 N394	R348-I350 PolarHBondContact O-N 3.08Å; R348-Y391 PolarHBondContact NE-O 3.2Å; R348-Y391 PolarHBondContact NH1-O 2.88Å; R348-Y391 PolarHBondContact NH2-O 3.03Å; R348-M392 PolarHBondContact NH2-O 3.3Å; R348-N394 PolarHBondContact NH1-OD1 2.92Å; R348-N394 PolarHBondContact NH2-OD1 3.43Å
349	A	61.6	Low	61.4	Low	59 Å²	59	89.1 Å²	89.1	49%	0.488	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-51.7	134.8	161.3	0	0	0	0	0	109.4	P351	A349-P351 WeakPolarHBondContact O-CD 3.32Å
350	I	74.4	Confident	64.3	Low	147 Å²	147	86 Å²	86	75%	0.754	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-76	120.6	-176.9	-60.9	173.6	0	0	0	107.6	R348 I352	R348-I350 PolarHBondContact O-N 3.08Å; I350-I352 PolarHBondContact O-N 3.47Å
351	P	82.5	Confident	66.3	Low	16 Å²	16	77.9 Å²	77.9	10%	0.104	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-65.7	134	178.2	-22.3	35.1	0	0	0	111.6	A349 K353 Q354 T375 L376 Y391	A349-P351 WeakPolarHBondContact O-CD 3.32Å; P351-K353 PolarHBondContact O-N 3.01Å; P351-Q354 HydrophobicContact CB-CB 4.15Å; P351-Q354 HydrophobicContact CG-CB 4.47Å; P351-T375 HydrophobicContact CB-CG2 4.32Å; P351-T375 HydrophobicContact CG-CG2 3.89Å; P351-L376 CarbonylContact C-O 3.39Å; P351-L376 VanDerWaalsContact CA-O 3.26Å; P351-L376 WeakPolarHBondContact CA-O 3.27Å; P351-L376 WeakPolarHBondContact CB-O 3.22Å; P351-Y391 WeakPolarHBondContact CG-OH 3.24Å
352	I	85.7	Confident	68	Low	99 Å²	99	76.9 Å²	76.9	51%	0.508	47%	0.473	S	S	.	.	S	Bend	trans	-58.2	-37.9	170	-69.2	176	0	0	0	110.5	I350 L376 D378	I350-I352 PolarHBondContact O-N 3.47Å; I352-L376 PolarHBondContact N-O 3.28Å; I352-D378 HydrophobicContact CD1-CB 3.87Å; I352-D378 HydrophobicContact CG1-CB 4.33Å
353	K	89.9	Confident	69.4	Low	56 Å²	56	78.2 Å²	78.2	24%	0.243	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.9	173.6	-161.8	177.5	179.2	92.3	0	110.2	P351 T375 L376 A529 W530 A533	P351-K353 PolarHBondContact O-N 3.01Å; K353-T375 CarbonylContact O-C 3.57Å; K353-T375 WeakPolarHBondContact O-CA 3.18Å; K353-L376 HydrophobicContact CB-CB 4.21Å; K353-L376 HydrophobicContact CB-CD2 4.36Å; K353-L376 PolarHBondContact N-O 3.34Å; K353-L376 PolarHBondContact O-N 3.1Å; K353-A529 WeakPolarHBondContact CD-O 3.39Å; K353-A529 WeakPolarHBondContact CE-O 3.34Å; K353-A529 PolarHBondContact NZ-O 3.18Å; K353-W530 HydrophobicContact CB-CH2 4.23Å; K353-W530 HydrophobicContact CB-CZ3 4.05Å; K353-W530 HydrophobicContact CD-CD2 3.66Å; K353-W530 HydrophobicContact CD-CE3 3.63Å; K353-W530 HydrophobicContact CD-CG 4.18Å; K353-W530 HydrophobicContact CD-CH2 4.29Å; K353-W530 HydrophobicContact CD-CZ2 4.32Å; K353-W530 HydrophobicContact CD-CZ3 3.96Å; K353-W530 VanDerWaalsContact CE-CD2 3.5Å; K353-W530 HydrophobicContact CG-CD2 4.34Å; K353-W530 HydrophobicContact CG-CE3 4.18Å; K353-W530 HydrophobicContact CG-CH2 3.94Å; K353-W530 HydrophobicContact CG-CZ2 4.11Å; K353-W530 HydrophobicContact CG-CZ3 3.97Å; K353-A533 HydrophobicContact CB-CB 4.47Å; K353-A533 HydrophobicContact CD-CB 3.7Å
354	Q	92.6	Very high	70.4	Confident	105 Å²	105	79.2 Å²	79.2	49%	0.491	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.9	178.7	57.6	-173.5	-0.9	0	0	110.8	P351 Y373 V374 T375	P351-Q354 HydrophobicContact CB-CB 4.15Å; P351-Q354 HydrophobicContact CG-CB 4.47Å; Q354-Y373 PolarHBondContact OE1-OH 3Å; Q354-V374 VanDerWaalsContact CA-O 3.28Å; Q354-V374 WeakPolarHBondContact CA-O 3.28Å; Q354-T375 HydrophobicContact CB-CG2 4.05Å
355	G	91.7	Very high	71.4	Confident	17 Å²	17	78.4 Å²	78.4	18%	0.175	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-172.1	-175.9	0	0	0	0	0	114.4	Y373 V374	G355-Y373 WeakPolarHBondContact O-CA 3.4Å; G355-V374 PolarHBondContact N-O 2.93Å; G355-V374 PolarHBondContact O-N 3.12Å
356	M	91.6	Very high	72.6	Confident	87 Å²	87	80.3 Å²	80.3	43%	0.429	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	96.2	-173.2	-76.8	-61.1	-65	0	0	111.8	K371 K372 Y373	M356-K371 HydrophobicContact CE-CB 3.84Å; M356-K372 WeakPolarHBondContact CA-O 3.35Å; M356-Y373 HydrophobicContact CG-CD2 4.39Å; M356-Y373 HydrophobicContact SD-CD2 3.76Å; M356-Y373 HydrophobicContact SD-CG 4.28Å
357	L	92.1	Very high	74.1	Confident	1 Å²	1	82.7 Å²	82.7	1%	0.005	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	150.4	179.4	-67.1	175.5	0	0	0	112.4	K371 K372 V374 F507 F519 A521 W530	L357-K371 CarbonylContact O-C 3.59Å; L357-K371 WeakPolarHBondContact O-CA 3.38Å; L357-K372 PolarHBondContact N-O 2.97Å; L357-K372 PolarHBondContact O-N 2.9Å; L357-V374 HydrophobicContact CB-CG2 3.97Å; L357-V374 HydrophobicContact CD1-CB 4.27Å; L357-V374 HydrophobicContact CD1-CG1 4.36Å; L357-V374 HydrophobicContact CD1-CG2 4.09Å; L357-V374 HydrophobicContact CG-CG2 4.31Å; L357-F507 HydrophobicContact CD1-CE1 4Å; L357-F507 HydrophobicContact CD1-CZ 3.68Å; L357-F507 HydrophobicContact CD2-CE1 4.35Å; L357-F519 HydrophobicContact CB-CD1 4.12Å; L357-F519 HydrophobicContact CD1-CB 4.42Å; L357-F519 HydrophobicContact CD1-CD1 4.12Å; L357-F519 HydrophobicContact CD1-CG 4.48Å; L357-A521 HydrophobicContact CD2-CB 3.82Å; L357-W530 HydrophobicContact CD1-CD2 3.95Å; L357-W530 HydrophobicContact CD1-CE3 4.42Å; L357-W530 HydrophobicContact CD1-CG 4.19Å; L357-W530 HydrophobicContact CD1-CZ2 4.33Å; L357-W530 HydrophobicContact CD2-CG 4.47Å
358	L	90.8	Very high	76	Confident	46 Å²	46	83.9 Å²	83.9	24%	0.241	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.4	166	-73.8	164.6	0	0	0	108.8	W369 K371 F519 E520	L358-W369 HydrophobicContact CB-CE3 4.08Å; L358-W369 HydrophobicContact CD2-CB 4.4Å; L358-K371 HydrophobicContact CD2-CB 4.48Å; L358-K371 HydrophobicContact CD2-CG 3.56Å; L358-K371 HydrophobicContact CG-CG 4.34Å; L358-F519 CarbonylContact O-C 3.54Å; L358-F519 VanDerWaalsContact O-CA 3.26Å; L358-F519 WeakPolarHBondContact O-CA 3.34Å; L358-E520 HydrophobicContact CB-CB 3.9Å; L358-E520 HydrophobicContact CB-CG 4.19Å; L358-E520 HydrophobicContact CD1-CG 4.12Å; L358-E520 WeakPolarHBondContact CD1-OE2 3.35Å; L358-E520 PolarHBondContact N-O 2.94Å; L358-E520 PolarHBondContact O-N 2.94Å
359	K	91.8	Very high	77.1	Confident	26 Å²	26	82.8 Å²	82.8	11%	0.113	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.1	-176.3	-158.6	-79.4	161	-161.5	0	110.4	K370 K372 Y384 F519	K359-K370 PolarHBondContact N-O 2.98Å; K359-K370 PolarHBondContact O-N 2.94Å; K359-K370 VanDerWaalsContact O-N 3.07Å; K359-K372 HydrophobicContact CB-CB 4.34Å; K359-K372 HydrophobicContact CB-CG 3.69Å; K359-K372 HydrophobicContact CG-CG 4.43Å; K359-Y384 HydrophobicContact CD-CE2 4.31Å; K359-F519 HydrophobicContact CB-CD1 4.09Å; K359-F519 HydrophobicContact CB-CE1 4.07Å; K359-F519 HydrophobicContact CG-CD1 3.72Å; K359-F519 HydrophobicContact CG-CE1 3.39Å; K359-F519 HydrophobicContact CG-CZ 3.96Å
360	R	87.6	Confident	78.4	Confident	51 Å²	51	84.5 Å²	84.5	19%	0.192	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.9	-177.7	-153	164.3	65	-144.4	0.8	112.6	W369 E506 H518	R360-W369 HydrophobicContact CB-CD2 3.89Å; R360-W369 HydrophobicContact CB-CE3 3.61Å; R360-W369 HydrophobicContact CB-CH2 3.97Å; R360-W369 HydrophobicContact CB-CZ2 4.24Å; R360-W369 HydrophobicContact CB-CZ3 3.66Å; R360-W369 HydrophobicContact CG-CD2 4.04Å; R360-W369 HydrophobicContact CG-CE3 4.29Å; R360-W369 HydrophobicContact CG-CG 4.49Å; R360-W369 HydrophobicContact CG-CZ2 4.43Å; R360-E506 IonicContact CZ-OE1 3.78Å; R360-E506 IonicContact NH1-OE1 2.7Å; R360-E506 PolarHBondContact NH1-OE1 3.06Å; R360-E506 IonicContact NH1-OE2 2.6Å; R360-E506 IonicContact NH2-OE1 2.72Å; R360-H518 HydrophobicContact CB-CB 3.86Å; R360-H518 PolarHBondContact N-O 2.94Å; R360-H518 VanDerWaalsContact N-O 3.11Å; R360-H518 PolarHBondContact NH2-CE1 3Å; R360-H518 VanDerWaalsContact NH2-CG 3.34Å; R360-H518 PolarHBondContact NH2-ND1 3.3Å; R360-H518 PolarHBondContact NH2-NE2 3.48Å
361	S	76.1	Confident	79.2	Confident	44 Å²	44	84.1 Å²	84.1	31%	0.308	44%	0.435	S	S	.	.			trans	-60.3	134.7	172.7	175.2	0	0	0	0	111.9	K363 N366 E368	S361-K363 PolarHBondContact OG-N 3.29Å; S361-N366 VanDerWaalsContact CB-O 3.29Å; S361-N366 WeakPolarHBondContact CB-O 3.43Å; S361-N366 PolarHBondContact OG-O 3.15Å; S361-E368 PolarHBondContact N-O 2.88Å
362	G	63.1	Low	79.7	Confident	78 Å²	78	85.2 Å²	85.2	80%	0.804	44%	0.438	S	S	*	.			trans	-91.4	-4.6	173.7	0	0	0	0	0	114.4
363	K	60.2	Low	80	Confident	174 Å²	174	81.6 Å²	81.6	76%	0.757	42%	0.418	S	S	*	.	S	Bend	trans	-81.8	121.3	176.7	-70.1	-170.6	176.6	-174.3	0	109.3	S361 L365 N366	S361-K363 PolarHBondContact OG-N 3.29Å; K363-L365 PolarHBondContact O-N 3.41Å; K363-N366 PolarHBondContact O-N 3.44Å
364	S	51.5	Low	80.2	Confident	118 Å²	118	79 Å²	79	83%	0.825	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.7	-166.3	51.4	0	0	0	0	116.8
365	L	51.5	Low	80.2	Confident	162 Å²	162	74 Å²	74	85%	0.848	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-18.5	-176.6	-69.4	169.2	0	0	0	114.7	K363	K363-L365 PolarHBondContact O-N 3.41Å
366	N	54.3	Low	80.2	Confident	118 Å²	118	73.2 Å²	73.2	63%	0.631	38%	0.375	S	S	*	.			trans	-150.3	110.6	174	-93.2	-29.2	0	0	0	110.4	S361 K363 E368	S361-N366 VanDerWaalsContact CB-O 3.29Å; S361-N366 WeakPolarHBondContact CB-O 3.43Å; S361-N366 PolarHBondContact OG-O 3.15Å; K363-N366 PolarHBondContact O-N 3.44Å; N366-E368 PolarHBondContact O-N 2.78Å
367	K	65.8	Low	80	Confident	164 Å²	164	69.7 Å²	69.7	71%	0.713	36%	0.359	S	S	*	.			trans	-81	46.5	176.3	-70.6	-171.7	175.7	-175.4	0	112.4
368	E	80.3	Confident	79.4	Confident	96 Å²	96	74.5 Å²	74.5	45%	0.449	39%	0.385	S	S	.	.			trans	-74.1	133.7	-177.3	-155.6	-169.5	149.7	0	0	111	S361 N366 K370	S361-E368 PolarHBondContact N-O 2.88Å; N366-E368 PolarHBondContact O-N 2.78Å; E368-K370 VanDerWaalsContact CD-CE 3.49Å; E368-K370 HydrophobicContact CG-CG 4.49Å; E368-K370 IonicContact OE1-NZ 3.88Å; E368-K370 PolarHBondContact OE1-NZ 3.18Å; E368-K370 WeakPolarHBondContact OE2-CE 3.39Å; E368-K370 IonicContact OE2-NZ 3.3Å; E368-K370 PolarHBondContact OE2-NZ 3Å
369	W	84.3	Confident	78.8	Confident	75 Å²	75	77.3 Å²	77.3	28%	0.284	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.3	165.1	-69.8	111.1	0	0	0	109.3	L358 R360 E506 H518 E520	L358-W369 HydrophobicContact CB-CE3 4.08Å; L358-W369 HydrophobicContact CD2-CB 4.4Å; R360-W369 HydrophobicContact CB-CD2 3.89Å; R360-W369 HydrophobicContact CB-CE3 3.61Å; R360-W369 HydrophobicContact CB-CH2 3.97Å; R360-W369 HydrophobicContact CB-CZ2 4.24Å; R360-W369 HydrophobicContact CB-CZ3 3.66Å; R360-W369 HydrophobicContact CG-CD2 4.04Å; R360-W369 HydrophobicContact CG-CE3 4.29Å; R360-W369 HydrophobicContact CG-CG 4.49Å; R360-W369 HydrophobicContact CG-CZ2 4.43Å; W369-E506 HydrophobicContact CH2-CG 4.09Å; W369-H518 HydrophobicContact CH2-CB 4.19Å; W369-H518 HydrophobicContact CZ3-CB 4.41Å; W369-E520 VanDerWaalsContact CD2-OE2 3.3Å; W369-E520 HydrophobicContact CE3-CB 4.12Å; W369-E520 HydrophobicContact CH2-CB 3.72Å; W369-E520 HydrophobicContact CZ2-CB 4.28Å; W369-E520 HydrophobicContact CZ3-CB 3.61Å
370	K	88.7	Confident	78.5	Confident	95 Å²	95	76 Å²	76	41%	0.413	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.8	175.5	-63.8	-177.2	-174.1	-74.9	0	109.7	K359 E368	K359-K370 PolarHBondContact N-O 2.98Å; K359-K370 PolarHBondContact O-N 2.94Å; K359-K370 VanDerWaalsContact O-N 3.07Å; E368-K370 VanDerWaalsContact CD-CE 3.49Å; E368-K370 HydrophobicContact CG-CG 4.49Å; E368-K370 IonicContact OE1-NZ 3.88Å; E368-K370 PolarHBondContact OE1-NZ 3.18Å; E368-K370 WeakPolarHBondContact OE2-CE 3.39Å; E368-K370 IonicContact OE2-NZ 3.3Å; E368-K370 PolarHBondContact OE2-NZ 3Å
371	K	91.5	Very high	78.5	Confident	139 Å²	139	75 Å²	75	60%	0.604	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	138.5	172.5	-66.2	-168.4	176.4	-168.7	0	110.2	M356 L357 L358	M356-K371 HydrophobicContact CE-CB 3.84Å; L357-K371 CarbonylContact O-C 3.59Å; L357-K371 WeakPolarHBondContact O-CA 3.38Å; L358-K371 HydrophobicContact CD2-CB 4.48Å; L358-K371 HydrophobicContact CD2-CG 3.56Å; L358-K371 HydrophobicContact CG-CG 4.34Å
372	K	92.9	Very high	79.3	Confident	39 Å²	39	73 Å²	73	17%	0.17	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.5	177.7	-66	-69.3	145.7	-107.9	0	108.9	M356 L357 K359 V374 Y384 H385	M356-K372 WeakPolarHBondContact CA-O 3.35Å; L357-K372 PolarHBondContact N-O 2.97Å; L357-K372 PolarHBondContact O-N 2.9Å; K359-K372 HydrophobicContact CB-CB 4.34Å; K359-K372 HydrophobicContact CB-CG 3.69Å; K359-K372 HydrophobicContact CG-CG 4.43Å; K372-V374 HydrophobicContact CB-CG2 4.35Å; K372-Y384 HydrophobicContact CD-CD2 4.34Å; K372-Y384 HydrophobicContact CG-CD2 4.3Å; K372-H385 WeakPolarHBondContact CA-O 3.37Å; K372-H385 VanDerWaalsContact CD-O 3.32Å; K372-H385 WeakPolarHBondContact CD-O 3.23Å
373	Y	92.3	Very high	80.7	Confident	23 Å²	23	70 Å²	70	9%	0.09	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123	167.7	-172.2	-104.1	0	0	0	107.9	Q354 G355 M356 T375 Y384 H385 L388 Y391	Q354-Y373 PolarHBondContact OE1-OH 3Å; G355-Y373 WeakPolarHBondContact O-CA 3.4Å; M356-Y373 HydrophobicContact CG-CD2 4.39Å; M356-Y373 HydrophobicContact SD-CD2 3.76Å; M356-Y373 HydrophobicContact SD-CG 4.28Å; Y373-T375 HydrophobicContact CD1-CG2 4Å; Y373-T375 HydrophobicContact CE1-CG2 3.45Å; Y373-T375 VanDerWaalsContact CE1-CG2 3.45Å; Y373-Y384 CarbonylContact O-C 3.49Å; Y373-Y384 WeakPolarHBondContact O-CA 3.49Å; Y373-H385 PolarHBondContact N-O 3.14Å; Y373-H385 PolarHBondContact O-N 3.24Å; Y373-L388 HydrophobicContact CD1-CD1 4.3Å; Y373-L388 HydrophobicContact CD2-CB 4.24Å; Y373-L388 HydrophobicContact CD2-CD1 4.33Å; Y373-L388 HydrophobicContact CE1-CD1 3.8Å; Y373-L388 HydrophobicContact CE2-CD1 3.84Å; Y373-L388 HydrophobicContact CG-CB 4.36Å; Y373-Y391 AromaticContact CD1-CD1 3.97Å; Y373-Y391 HydrophobicContact CD1-CD1 3.97Å; Y373-Y391 AromaticContact CD1-CG 3.83Å; Y373-Y391 HydrophobicContact CD1-CG 3.83Å; Y373-Y391 AromaticContact CE1-CD1 3.42Å; Y373-Y391 HydrophobicContact CE1-CD1 3.42Å; Y373-Y391 VanDerWaalsContact CE1-CD1 3.42Å; Y373-Y391 HydrophobicContact CE1-CD2 4.47Å; Y373-Y391 AromaticContact CE1-CE1 3.89Å; Y373-Y391 HydrophobicContact CE1-CE1 3.89Å; Y373-Y391 AromaticContact CE1-CG 3.74Å; Y373-Y391 HydrophobicContact CE1-CG 3.74Å
374	V	94.1	Very high	82.3	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.5	-174.8	-176.7	0	0	0	0	108.9	Q354 G355 L357 K372 L382 T383 F519 W530	Q354-V374 VanDerWaalsContact CA-O 3.28Å; Q354-V374 WeakPolarHBondContact CA-O 3.28Å; G355-V374 PolarHBondContact N-O 2.93Å; G355-V374 PolarHBondContact O-N 3.12Å; L357-V374 HydrophobicContact CB-CG2 3.97Å; L357-V374 HydrophobicContact CD1-CB 4.27Å; L357-V374 HydrophobicContact CD1-CG1 4.36Å; L357-V374 HydrophobicContact CD1-CG2 4.09Å; L357-V374 HydrophobicContact CG-CG2 4.31Å; K372-V374 HydrophobicContact CB-CG2 4.35Å; V374-L382 HydrophobicContact CG1-CD1 4.14Å; V374-L382 HydrophobicContact CG1-CD2 3.84Å; V374-L382 HydrophobicContact CG1-CG 3.98Å; V374-T383 WeakPolarHBondContact CA-O 3.3Å; V374-F519 HydrophobicContact CG2-CD1 4.5Å; V374-F519 HydrophobicContact CG2-CE1 3.99Å; V374-W530 HydrophobicContact CB-CH2 4.13Å; V374-W530 HydrophobicContact CG1-CH2 4.01Å; V374-W530 HydrophobicContact CG1-CZ3 4.07Å
375	T	92	Very high	84.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.6	176.1	63.8	0	0	0	0	110.5	P351 K353 Q354 Y373 L382 T383 Y391	P351-T375 HydrophobicContact CB-CG2 4.32Å; P351-T375 HydrophobicContact CG-CG2 3.89Å; K353-T375 CarbonylContact O-C 3.57Å; K353-T375 WeakPolarHBondContact O-CA 3.18Å; Q354-T375 HydrophobicContact CB-CG2 4.05Å; Y373-T375 HydrophobicContact CD1-CG2 4Å; Y373-T375 HydrophobicContact CE1-CG2 3.45Å; Y373-T375 VanDerWaalsContact CE1-CG2 3.45Å; T375-L382 CarbonylContact O-C 3.49Å; T375-L382 WeakPolarHBondContact O-CA 3.42Å; T375-T383 PolarHBondContact N-O 3.29Å; T375-T383 PolarHBondContact O-N 3.16Å; T375-T383 PolarHBondContact OG1-OG1 3.04Å; T375-Y391 HydrophobicContact CG2-CD2 4.27Å; T375-Y391 HydrophobicContact CG2-CE1 4.27Å; T375-Y391 HydrophobicContact CG2-CE2 3.87Å
376	L	91.8	Very high	86	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.9	173.6	175.6	64.3	0	0	0	108.3	P351 I352 K353 L382 L402 W530 A533 I534 Q537	P351-L376 CarbonylContact C-O 3.39Å; P351-L376 VanDerWaalsContact CA-O 3.26Å; P351-L376 WeakPolarHBondContact CA-O 3.27Å; P351-L376 WeakPolarHBondContact CB-O 3.22Å; I352-L376 PolarHBondContact N-O 3.28Å; K353-L376 HydrophobicContact CB-CB 4.21Å; K353-L376 HydrophobicContact CB-CD2 4.36Å; K353-L376 PolarHBondContact N-O 3.34Å; K353-L376 PolarHBondContact O-N 3.1Å; L376-L382 HydrophobicContact CD1-CB 4.19Å; L376-L382 HydrophobicContact CD1-CD1 4.32Å; L376-L402 HydrophobicContact CD1-CD1 3.4Å; L376-W530 HydrophobicContact CB-CZ3 4.29Å; L376-A533 HydrophobicContact CD2-CB 3.81Å; L376-A533 WeakPolarHBondContact CD2-O 3.12Å; L376-I534 HydrophobicContact CD2-CG1 4.45Å; L376-Q537 HydrophobicContact CD1-CB 4.06Å; L376-Q537 HydrophobicContact CD1-CG 3.96Å; L376-Q537 HydrophobicContact CD2-CB 4.2Å; L376-Q537 HydrophobicContact CG-CB 4.43Å; L376-Q537 HydrophobicContact CG-CG 4.49Å
377	C	86.9	Confident	87.6	Confident	13 Å²	13	48.8 Å²	48.8	9%	0.088	24%	0.236	C	C	.	.			trans	-105.9	155.2	-178.4	-56.7	0	0	0	0	111.9	N379 G380 V381	C377-N379 WeakPolarHBondContact CB-OD1 3.38Å; C377-N379 PolarHBondContact O-N 3.45Å; C377-G380 PolarHBondContact O-N 3Å; C377-V381 PolarHBondContact N-O 2.91Å
378	D	80.6	Confident	88.4	Confident	102 Å²	102	45.1 Å²	45.1	55%	0.545	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.5	177.3	61.2	-23	0	0	0	114.3	I352 G380 Q537	I352-D378 HydrophobicContact CD1-CB 3.87Å; I352-D378 HydrophobicContact CG1-CB 4.33Å; D378-G380 PolarHBondContact O-N 2.7Å; D378-Q537 PolarHBondContact O-NE2 3.47Å
379	N	78.7	Confident	88.5	Confident	105 Å²	105	46 Å²	46	56%	0.561	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	7.4	173.7	72.2	-4.6	0	0	0	115	C377 V381	C377-N379 WeakPolarHBondContact CB-OD1 3.38Å; C377-N379 PolarHBondContact O-N 3.45Å; N379-V381 WeakPolarHBondContact OD1-CB 3.49Å; N379-V381 WeakPolarHBondContact OD1-CG2 3.38Å; N379-V381 PolarHBondContact OD1-N 3.11Å
380	G	83.5	Confident	88.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	80	11.9	180	0	0	0	0	0	115.1	C377 D378 L402 S541	C377-G380 PolarHBondContact O-N 3Å; D378-G380 PolarHBondContact O-N 2.7Å; G380-L402 WeakPolarHBondContact O-CB 3.23Å; G380-L402 WeakPolarHBondContact O-CG 3.12Å; G380-L402 PolarHBondContact O-N 3.07Å; G380-S541 WeakPolarHBondContact CA-OG 3.27Å
381	V	89.4	Confident	88.4	Confident	30 Å²	30	40.5 Å²	40.5	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.1	177.4	-173.5	0	0	0	0	111	C377 N379 T383 E399	C377-V381 PolarHBondContact N-O 2.91Å; N379-V381 WeakPolarHBondContact OD1-CB 3.49Å; N379-V381 WeakPolarHBondContact OD1-CG2 3.38Å; N379-V381 PolarHBondContact OD1-N 3.11Å; V381-T383 HydrophobicContact CG1-CG2 4.08Å; V381-E399 HydrophobicContact CG1-CB 3.88Å; V381-E399 HydrophobicContact CG1-CG 4.24Å
382	L	92.8	Very high	87.8	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122	167.2	-177.9	144.9	0	0	0	109.6	V374 T375 L376 E399 I400 L402 I509 F519 I534	V374-L382 HydrophobicContact CG1-CD1 4.14Å; V374-L382 HydrophobicContact CG1-CD2 3.84Å; V374-L382 HydrophobicContact CG1-CG 3.98Å; T375-L382 CarbonylContact O-C 3.49Å; T375-L382 WeakPolarHBondContact O-CA 3.42Å; L376-L382 HydrophobicContact CD1-CB 4.19Å; L376-L382 HydrophobicContact CD1-CD1 4.32Å; L382-E399 CarbonylContact O-C 3.58Å; L382-I400 HydrophobicContact CD2-CD1 3.94Å; L382-I400 HydrophobicContact CD2-CG1 4.5Å; L382-I400 PolarHBondContact N-O 2.81Å; L382-I400 PolarHBondContact O-N 3.27Å; L382-L402 HydrophobicContact CB-CD1 4.2Å; L382-L402 HydrophobicContact CB-CD2 4.07Å; L382-L402 HydrophobicContact CB-CG 4.22Å; L382-I509 HydrophobicContact CD1-CD1 4.3Å; L382-I509 HydrophobicContact CD2-CD1 4.31Å; L382-F519 HydrophobicContact CD2-CZ 4.29Å; L382-I534 HydrophobicContact CD1-CD1 3.69Å; L382-I534 HydrophobicContact CD1-CG1 3.83Å
383	T	92.4	Very high	87.1	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.08	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149.8	179.3	94.4	0	0	0	0	111.5	V374 T375 V381 H385 K398 E399	V374-T383 WeakPolarHBondContact CA-O 3.3Å; T375-T383 PolarHBondContact N-O 3.29Å; T375-T383 PolarHBondContact O-N 3.16Å; T375-T383 PolarHBondContact OG1-OG1 3.04Å; V381-T383 HydrophobicContact CG1-CG2 4.08Å; T383-H385 PolarHBondContact OG1-CE1 3.25Å; T383-H385 VanDerWaalsContact OG1-CE1 3.22Å; T383-H385 PolarHBondContact OG1-ND1 2.88Å; T383-K398 CarbonylContact C-O 3.54Å; T383-K398 VanDerWaalsContact CA-O 3.23Å; T383-K398 WeakPolarHBondContact CA-O 3.38Å; T383-E399 HydrophobicContact CG2-CG 4.15Å
384	Y	93.1	Very high	86.3	Confident	30 Å²	30	47.7 Å²	47.7	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135.1	172.3	68.6	-89.6	0	0	0	112.9	K359 K372 Y373 K398 I400 W517 F519	K359-Y384 HydrophobicContact CD-CE2 4.31Å; K372-Y384 HydrophobicContact CD-CD2 4.34Å; K372-Y384 HydrophobicContact CG-CD2 4.3Å; Y373-Y384 CarbonylContact O-C 3.49Å; Y373-Y384 WeakPolarHBondContact O-CA 3.49Å; Y384-K398 HydrophobicContact CD1-CB 4.15Å; Y384-K398 HydrophobicContact CD2-CB 4.38Å; Y384-K398 HydrophobicContact CE1-CB 3.73Å; Y384-K398 HydrophobicContact CE2-CB 3.98Å; Y384-K398 HydrophobicContact CE2-CD 4.14Å; Y384-K398 HydrophobicContact CE2-CG 4.44Å; Y384-K398 HydrophobicContact CG-CB 4.46Å; Y384-K398 PolarHBondContact N-O 3.36Å; Y384-K398 PolarHBondContact O-N 3.27Å; Y384-I400 HydrophobicContact CD1-CD1 4.21Å; Y384-I400 HydrophobicContact CD1-CG1 4.49Å; Y384-I400 HydrophobicContact CE1-CD1 4.02Å; Y384-I400 HydrophobicContact CE1-CG1 4.23Å; Y384-W517 AromaticContact CE1-CD1 3.91Å; Y384-F519 HydrophobicContact CD1-CZ 4.16Å; Y384-F519 HydrophobicContact CG-CZ 4.48Å
385	H	91.4	Very high	85.1	Confident	9 Å²	9	50.6 Å²	50.6	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.4	-170.3	-71.2	76.8	0	0	0	111.4	K372 Y373 T383 S387 D390 Y391 G397	K372-H385 WeakPolarHBondContact CA-O 3.37Å; K372-H385 VanDerWaalsContact CD-O 3.32Å; K372-H385 WeakPolarHBondContact CD-O 3.23Å; Y373-H385 PolarHBondContact N-O 3.14Å; Y373-H385 PolarHBondContact O-N 3.24Å; T383-H385 PolarHBondContact OG1-CE1 3.25Å; T383-H385 VanDerWaalsContact OG1-CE1 3.22Å; T383-H385 PolarHBondContact OG1-ND1 2.88Å; H385-S387 VanDerWaalsContact C-N 3.29Å; H385-S387 PolarHBondContact O-N 3.45Å; H385-D390 HydrophobicContact CB-CB 4.33Å; H385-Y391 VanDerWaalsContact CD2-CA 3.45Å; H385-Y391 WeakPolarHBondContact CD2-CA 3.39Å; H385-Y391 AromaticContact CE1-CD2 3.66Å; H385-Y391 AromaticContact ND1-CD2 3.75Å; H385-G397 WeakPolarHBondContact CD2-CA 3.46Å; H385-G397 WeakPolarHBondContact NE2-CA 3.33Å
386	P	88.9	Confident	84.3	Confident	50 Å²	50	56.8 Å²	56.8	33%	0.325	30%	0.295	S	S	.	.	S	Bend	trans	-58.1	-37.5	178.2	-25.8	34.7	0	0	0	114.6	D390 H396	P386-D390 HydrophobicContact CB-CB 4.45Å; P386-D390 HydrophobicContact CG-CB 4.38Å; P386-D390 WeakPolarHBondContact CG-OD2 3.35Å; P386-H396 HydrophobicContact CG-CB 3.66Å
387	S	87.1	Confident	83.9	Confident	39 Å²	39	58.5 Å²	58.5	27%	0.273	31%	0.313	S	S	.	.	S	Bend	trans	-148.5	173.2	175.8	78.5	0	0	0	0	111.1	H385 H389 D390 Y391	H385-S387 VanDerWaalsContact C-N 3.29Å; H385-S387 PolarHBondContact O-N 3.45Å; S387-H389 PolarHBondContact O-N 3.05Å; S387-H389 WeakPolarHBondContact OG-CB 3.43Å; S387-H389 PolarHBondContact OG-N 3.34Å; S387-D390 WeakPolarHBondContact CB-OD1 2.99Å; S387-D390 PolarHBondContact N-OD1 3.05Å; S387-D390 PolarHBondContact O-N 2.68Å; S387-D390 PolarHBondContact OG-N 2.97Å; S387-D390 VanDerWaalsContact OG-N 3.13Å; S387-D390 PolarHBondContact OG-OD1 2.82Å; S387-Y391 PolarHBondContact O-N 3.3Å; S387-Y391 VanDerWaalsContact O-N 3.17Å
388	L	82.9	Confident	84	Confident	86 Å²	86	63.8 Å²	63.8	45%	0.45	33%	0.334	S	S	.	.	H	α-helix	trans	-60.6	-32.2	168.2	174	62.2	0	0	0	112.1	Y373 Y391 M392	Y373-L388 HydrophobicContact CD1-CD1 4.3Å; Y373-L388 HydrophobicContact CD2-CB 4.24Å; Y373-L388 HydrophobicContact CD2-CD1 4.33Å; Y373-L388 HydrophobicContact CE1-CD1 3.8Å; Y373-L388 HydrophobicContact CE2-CD1 3.84Å; Y373-L388 HydrophobicContact CG-CB 4.36Å; L388-Y391 HydrophobicContact CD1-CD1 4.2Å; L388-Y391 WeakPolarHBondContact O-CB 3.22Å; L388-Y391 PolarHBondContact O-N 3.35Å; L388-M392 HydrophobicContact CD1-CG 4.36Å; L388-M392 HydrophobicContact CG-SD 4.29Å; L388-M392 VanDerWaalsContact O-CG 3.32Å; L388-M392 WeakPolarHBondContact O-CG 3.29Å; L388-M392 PolarHBondContact O-N 3.32Å
389	H	83.4	Confident	84.5	Confident	116 Å²	116	66.1 Å²	66.1	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-71.1	-43.3	-179.9	-164.6	71	0	0	0	111.6	S387 Y391 M392 Q393	S387-H389 PolarHBondContact O-N 3.05Å; S387-H389 WeakPolarHBondContact OG-CB 3.43Å; S387-H389 PolarHBondContact OG-N 3.34Å; H389-Y391 VanDerWaalsContact C-N 3.3Å; H389-Y391 PolarHBondContact O-N 3.33Å; H389-M392 PolarHBondContact O-N 2.79Å; H389-Q393 PolarHBondContact CE1-NE2 3.26Å; H389-Q393 PolarHBondContact NE2-NE2 3.27Å; H389-Q393 WeakPolarHBondContact O-CB 3.44Å; H389-Q393 WeakPolarHBondContact O-CG 3.4Å; H389-Q393 PolarHBondContact O-N 3.18Å
390	D	85.8	Confident	85	Confident	31 Å²	31	61.3 Å²	61.3	17%	0.166	32%	0.316	C	S	.	.	H	α-helix	trans	-56.8	-43.9	171.2	-67.5	76.2	0	0	0	111.1	H385 P386 S387 Q393 N394 V395 H396	H385-D390 HydrophobicContact CB-CB 4.33Å; P386-D390 HydrophobicContact CB-CB 4.45Å; P386-D390 HydrophobicContact CG-CB 4.38Å; P386-D390 WeakPolarHBondContact CG-OD2 3.35Å; S387-D390 WeakPolarHBondContact CB-OD1 2.99Å; S387-D390 PolarHBondContact N-OD1 3.05Å; S387-D390 PolarHBondContact O-N 2.68Å; S387-D390 PolarHBondContact OG-N 2.97Å; S387-D390 VanDerWaalsContact OG-N 3.13Å; S387-D390 PolarHBondContact OG-OD1 2.82Å; D390-Q393 PolarHBondContact O-N 2.94Å; D390-N394 PolarHBondContact O-N 3.42Å; D390-V395 PolarHBondContact O-N 2.8Å; D390-H396 IonicContact OD2-CG 2.64Å; D390-H396 IonicContact OD2-ND1 2.77Å; D390-H396 PolarHBondContact OD2-ND1 2.78Å
391	Y	83.9	Confident	85.2	Confident	23 Å²	23	64.8 Å²	64.8	9%	0.09	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-53.7	173.6	171.9	-111.8	0	0	0	111.5	R348 P351 Y373 T375 H385 S387 L388 H389 Q393 N394	R348-Y391 PolarHBondContact NE-O 3.2Å; R348-Y391 PolarHBondContact NH1-O 2.88Å; R348-Y391 PolarHBondContact NH2-O 3.03Å; P351-Y391 WeakPolarHBondContact CG-OH 3.24Å; Y373-Y391 AromaticContact CD1-CD1 3.97Å; Y373-Y391 HydrophobicContact CD1-CD1 3.97Å; Y373-Y391 AromaticContact CD1-CG 3.83Å; Y373-Y391 HydrophobicContact CD1-CG 3.83Å; Y373-Y391 AromaticContact CE1-CD1 3.42Å; Y373-Y391 HydrophobicContact CE1-CD1 3.42Å; Y373-Y391 VanDerWaalsContact CE1-CD1 3.42Å; Y373-Y391 HydrophobicContact CE1-CD2 4.47Å; Y373-Y391 AromaticContact CE1-CE1 3.89Å; Y373-Y391 HydrophobicContact CE1-CE1 3.89Å; Y373-Y391 AromaticContact CE1-CG 3.74Å; Y373-Y391 HydrophobicContact CE1-CG 3.74Å; T375-Y391 HydrophobicContact CG2-CD2 4.27Å; T375-Y391 HydrophobicContact CG2-CE1 4.27Å; T375-Y391 HydrophobicContact CG2-CE2 3.87Å; H385-Y391 VanDerWaalsContact CD2-CA 3.45Å; H385-Y391 WeakPolarHBondContact CD2-CA 3.39Å; H385-Y391 AromaticContact CE1-CD2 3.66Å; H385-Y391 AromaticContact ND1-CD2 3.75Å; S387-Y391 PolarHBondContact O-N 3.3Å; S387-Y391 VanDerWaalsContact O-N 3.17Å; L388-Y391 HydrophobicContact CD1-CD1 4.2Å; L388-Y391 WeakPolarHBondContact O-CB 3.22Å; L388-Y391 PolarHBondContact O-N 3.35Å; H389-Y391 VanDerWaalsContact C-N 3.3Å; H389-Y391 PolarHBondContact O-N 3.33Å; Y391-Q393 PolarHBondContact O-N 3.38Å; Y391-N394 PolarHBondContact O-N 3.45Å; Y391-N394 VanDerWaalsContact O-N 3.08Å
392	M	80.4	Confident	85.1	Confident	122 Å²	122	63.4 Å²	63.4	60%	0.601	33%	0.326	S	S	*	.	H	α-helix	trans	-55.1	-39.2	179.3	-71.3	175.8	78	0	0	112.2	R348 L388 H389	R348-M392 PolarHBondContact NH2-O 3.3Å; L388-M392 HydrophobicContact CD1-CG 4.36Å; L388-M392 HydrophobicContact CG-SD 4.29Å; L388-M392 VanDerWaalsContact O-CG 3.32Å; L388-M392 WeakPolarHBondContact O-CG 3.29Å; L388-M392 PolarHBondContact O-N 3.32Å; H389-M392 PolarHBondContact O-N 2.79Å
393	Q	76.7	Confident	84.4	Confident	114 Å²	114	66.7 Å²	66.7	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-83.8	-5.6	-179.1	-67.9	179.3	-14.4	0	0	115.4	H389 D390 Y391 V395	H389-Q393 PolarHBondContact CE1-NE2 3.26Å; H389-Q393 PolarHBondContact NE2-NE2 3.27Å; H389-Q393 WeakPolarHBondContact O-CB 3.44Å; H389-Q393 WeakPolarHBondContact O-CG 3.4Å; H389-Q393 PolarHBondContact O-N 3.18Å; D390-Q393 PolarHBondContact O-N 2.94Å; Y391-Q393 PolarHBondContact O-N 3.38Å; Q393-V395 HydrophobicContact CB-CG2 3.87Å; Q393-V395 WeakPolarHBondContact O-CG2 3.49Å
394	N	76.6	Confident	83.8	Confident	116 Å²	116	72.8 Å²	72.8	62%	0.62	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	28.8	-175.7	-137.9	46.2	0	0	0	115.4	R348 D390 Y391	R348-N394 PolarHBondContact NH1-OD1 2.92Å; R348-N394 PolarHBondContact NH2-OD1 3.43Å; D390-N394 PolarHBondContact O-N 3.42Å; Y391-N394 PolarHBondContact O-N 3.45Å; Y391-N394 VanDerWaalsContact O-N 3.08Å
395	V	69.3	Low	83.4	Confident	61 Å²	61	71.9 Å²	71.9	37%	0.37	36%	0.363	S	S	.	.			trans	-113.5	145.6	-175	-157.9	0	0	0	0	110.5	D390 Q393 G397	D390-V395 PolarHBondContact O-N 2.8Å; Q393-V395 HydrophobicContact CB-CG2 3.87Å; Q393-V395 WeakPolarHBondContact O-CG2 3.49Å; V395-G397 PolarHBondContact O-N 2.94Å
396	H	74.9	Confident	83.2	Confident	131 Å²	131	74.4 Å²	74.4	61%	0.606	38%	0.379	S	S	*	.	S	Bend	trans	58.8	11.3	177.3	-47.8	122	0	0	0	117	P386 D390	P386-H396 HydrophobicContact CG-CB 3.66Å; D390-H396 IonicContact OD2-CG 2.64Å; D390-H396 IonicContact OD2-ND1 2.77Å; D390-H396 PolarHBondContact OD2-ND1 2.78Å
397	G	83.9	Confident	83.3	Confident	36 Å²	36	72.8 Å²	72.8	37%	0.371	37%	0.368	S	S	.	.			trans	-59	153.1	172.7	0	0	0	0	0	113.3	H385 V395	H385-G397 WeakPolarHBondContact CD2-CA 3.46Å; H385-G397 WeakPolarHBondContact NE2-CA 3.33Å; V395-G397 PolarHBondContact O-N 2.94Å
398	K	88.8	Confident	83.4	Confident	124 Å²	124	76.4 Å²	76.4	54%	0.539	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137	171.8	-67.1	-164.3	173.5	-153.6	0	110.1	T383 Y384	T383-K398 CarbonylContact C-O 3.54Å; T383-K398 VanDerWaalsContact CA-O 3.23Å; T383-K398 WeakPolarHBondContact CA-O 3.38Å; Y384-K398 HydrophobicContact CD1-CB 4.15Å; Y384-K398 HydrophobicContact CD2-CB 4.38Å; Y384-K398 HydrophobicContact CE1-CB 3.73Å; Y384-K398 HydrophobicContact CE2-CB 3.98Å; Y384-K398 HydrophobicContact CE2-CD 4.14Å; Y384-K398 HydrophobicContact CE2-CG 4.44Å; Y384-K398 HydrophobicContact CG-CB 4.46Å; Y384-K398 PolarHBondContact N-O 3.36Å; Y384-K398 PolarHBondContact O-N 3.27Å
399	E	90.3	Very high	83.5	Confident	151 Å²	151	73.3 Å²	73.3	71%	0.706	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.5	-170.1	-58.6	-179.2	163.8	0	0	110.9	V381 L382 T383	V381-E399 HydrophobicContact CG1-CB 3.88Å; V381-E399 HydrophobicContact CG1-CG 4.24Å; L382-E399 CarbonylContact O-C 3.58Å; T383-E399 HydrophobicContact CG2-CG 4.15Å
400	I	89.8	Confident	83.3	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.015	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	108.5	174.9	-54.5	178.9	0	0	0	106.2	L382 Y384 L402 T405 I509 W517 F519	L382-I400 HydrophobicContact CD2-CD1 3.94Å; L382-I400 HydrophobicContact CD2-CG1 4.5Å; L382-I400 PolarHBondContact N-O 2.81Å; L382-I400 PolarHBondContact O-N 3.27Å; Y384-I400 HydrophobicContact CD1-CD1 4.21Å; Y384-I400 HydrophobicContact CD1-CG1 4.49Å; Y384-I400 HydrophobicContact CE1-CD1 4.02Å; Y384-I400 HydrophobicContact CE1-CG1 4.23Å; I400-L402 HydrophobicContact CG2-CD2 4.21Å; I400-L402 PolarHBondContact O-N 3.18Å; I400-T405 HydrophobicContact CG2-CG2 4.06Å; I400-I509 HydrophobicContact CD1-CD1 4.34Å; I400-I509 HydrophobicContact CG2-CG2 4.25Å; I400-W517 HydrophobicContact CD1-CB 4.01Å; I400-W517 HydrophobicContact CD1-CD2 3.61Å; I400-W517 HydrophobicContact CD1-CE3 4.24Å; I400-W517 HydrophobicContact CD1-CG 3.48Å; I400-W517 VanDerWaalsContact CD1-CG 3.48Å; I400-W517 HydrophobicContact CG1-CD2 4.17Å; I400-W517 HydrophobicContact CG1-CG 4.4Å; I400-W517 HydrophobicContact CG1-CZ2 4.22Å; I400-W517 HydrophobicContact CG2-CE3 4.29Å; I400-W517 HydrophobicContact CG2-CH2 4.21Å; I400-W517 HydrophobicContact CG2-CZ2 4.43Å; I400-W517 HydrophobicContact CG2-CZ3 4.13Å; I400-F519 HydrophobicContact CD1-CE2 4.19Å; I400-F519 HydrophobicContact CD1-CZ 4.31Å
401	D	87	Confident	82.3	Confident	74 Å²	74	72.7 Å²	72.7	40%	0.396	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	116.6	168	161.4	30.2	0	0	0	109.1	L403 T405	D401-L403 VanDerWaalsContact OD1-CB 3.31Å; D401-L403 WeakPolarHBondContact OD1-CB 3.29Å; D401-L403 PolarHBondContact OD1-N 3.45Å; D401-T405 WeakPolarHBondContact O-CG2 3.22Å
402	L	87.4	Confident	81.3	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.405	C	S	.	.	S	Bend	trans	-82.1	-23.9	-176.6	-62.6	-178.3	0	0	0	113.8	L376 G380 L382 I400 R404 T405 I534 Q537 I538	L376-L402 HydrophobicContact CD1-CD1 3.4Å; G380-L402 WeakPolarHBondContact O-CB 3.23Å; G380-L402 WeakPolarHBondContact O-CG 3.12Å; G380-L402 PolarHBondContact O-N 3.07Å; L382-L402 HydrophobicContact CB-CD1 4.2Å; L382-L402 HydrophobicContact CB-CD2 4.07Å; L382-L402 HydrophobicContact CB-CG 4.22Å; I400-L402 HydrophobicContact CG2-CD2 4.21Å; I400-L402 PolarHBondContact O-N 3.18Å; L402-R404 PolarHBondContact O-N 3.43Å; L402-T405 WeakPolarHBondContact CA-OG1 3.33Å; L402-T405 PolarHBondContact O-N 2.7Å; L402-T405 PolarHBondContact O-OG1 3.33Å; L402-I534 HydrophobicContact CD1-CG2 4.29Å; L402-I534 HydrophobicContact CD2-CG2 4.24Å; L402-Q537 HydrophobicContact CD1-CB 4.38Å; L402-Q537 HydrophobicContact CD1-CG 4.18Å; L402-I538 HydrophobicContact CB-CG1 3.84Å
403	L	78.8	Confident	79.4	Confident	72 Å²	72	82.1 Å²	82.1	38%	0.377	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.5	-179.3	-75.8	155.1	0	0	0	112.8	D401	D401-L403 VanDerWaalsContact OD1-CB 3.31Å; D401-L403 WeakPolarHBondContact OD1-CB 3.29Å; D401-L403 PolarHBondContact OD1-N 3.45Å
404	R	79.1	Confident	77.6	Confident	141 Å²	141	82.2 Å²	82.2	53%	0.532	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	30.1	-176.7	-50.2	-166.4	77.3	-146.4	3.1	112.3	L402 S511 L512	L402-R404 PolarHBondContact O-N 3.43Å; R404-S511 CarbonylContact O-C 3.54Å; R404-S511 VanDerWaalsContact O-CA 3.3Å; R404-S511 WeakPolarHBondContact O-CA 3.42Å; R404-L512 HydrophobicContact CB-CD1 4.07Å; R404-L512 HydrophobicContact CB-CG 4.43Å; R404-L512 PolarHBondContact O-N 3.27Å
405	T	85.2	Confident	75.8	Confident	11 Å²	11	83 Å²	83	7%	0.067	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	167.2	179.2	68.1	0	0	0	0	114	I400 D401 L402 I509 V510 W517	I400-T405 HydrophobicContact CG2-CG2 4.06Å; D401-T405 WeakPolarHBondContact O-CG2 3.22Å; L402-T405 WeakPolarHBondContact CA-OG1 3.33Å; L402-T405 PolarHBondContact O-N 2.7Å; L402-T405 PolarHBondContact O-OG1 3.33Å; T405-I509 HydrophobicContact CG2-CG2 3.9Å; T405-V510 CarbonylContact C-O 3.56Å; T405-V510 VanDerWaalsContact CA-O 3.31Å; T405-V510 WeakPolarHBondContact CA-O 3.3Å; T405-W517 HydrophobicContact CG2-CZ3 4.5Å
406	T	87.3	Confident	73.9	Confident	62 Å²	62	91.1 Å²	91.1	38%	0.38	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.2	169.2	54.2	0	0	0	0	108.3	K408 I509 V510	T406-K408 WeakPolarHBondContact OG1-CE 3.37Å; T406-I509 CarbonylContact O-C 3.47Å; T406-V510 PolarHBondContact N-O 3.34Å; T406-V510 PolarHBondContact O-N 2.91Å; T406-V510 PolarHBondContact OG1-O 3.23Å
407	V	90.3	Very high	71.7	Confident	16 Å²	16	89.8 Å²	89.8	10%	0.097	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	149.1	170.3	63.1	0	0	0	0	110.4	F507 I508 V531 I534 E535	V407-F507 HydrophobicContact CG2-CB 4.43Å; V407-F507 HydrophobicContact CG2-CD2 3.78Å; V407-I508 CarbonylContact C-O 3.52Å; V407-I508 WeakPolarHBondContact CA-O 3.41Å; V407-V531 HydrophobicContact CG1-CG1 3.98Å; V407-V531 HydrophobicContact CG2-CG1 4.43Å; V407-V531 HydrophobicContact CG2-CG2 4.12Å; V407-I534 HydrophobicContact CB-CG2 4.25Å; V407-I534 HydrophobicContact CG1-CG2 4.29Å; V407-E535 HydrophobicContact CG1-CG 3.37Å
408	K	88.8	Confident	68.9	Low	114 Å²	114	94.5 Å²	94.5	50%	0.496	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	126.8	-176.4	-58.6	-176.3	-175.7	179	0	110.4	T406 I508 V510	T406-K408 WeakPolarHBondContact OG1-CE 3.37Å; K408-I508 PolarHBondContact N-O 2.69Å; K408-I508 PolarHBondContact O-N 2.86Å; K408-V510 HydrophobicContact CD-CG2 4.11Å
409	V	85.5	Confident	65.9	Low	22 Å²	22	94 Å²	94	13%	0.133	51%	0.51	C	S	.	.			trans	-93.4	119.5	169.2	-178.3	0	0	0	0	108.2	G411 K412 F507 V531	V409-G411 PolarHBondContact O-N 2.87Å; V409-K412 HydrophobicContact CB-CB 4.5Å; V409-K412 HydrophobicContact CB-CD 4.32Å; V409-K412 HydrophobicContact CG1-CD 4.25Å; V409-K412 HydrophobicContact CG1-CG 4.38Å; V409-K412 PolarHBondContact O-N 2.78Å; V409-F507 HydrophobicContact CG2-CB 4.49Å; V409-V531 HydrophobicContact CG2-CG1 4.49Å; V409-V531 HydrophobicContact CG2-CG2 3.91Å
410	P	79.3	Confident	62.8	Low	49 Å²	49	91 Å²	91	32%	0.318	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	132.3	178.4	-16.6	29.2	0	0	0	110.9	N504 E506 I508	P410-N504 WeakPolarHBondContact CB-ND2 3.31Å; P410-N504 PolarHBondContact O-ND2 3.06Å; P410-E506 WeakPolarHBondContact CD-O 3.23Å; P410-E506 HydrophobicContact CG-CG 4.41Å; P410-I508 HydrophobicContact CG-CD1 3.88Å; P410-I508 HydrophobicContact CG-CG1 4.24Å
411	G	64.6	Low	59.8	Low	85 Å²	85	96.9 Å²	96.9	88%	0.876	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.6	-35.1	-177.8	0	0	0	0	0	114.6	V409	V409-G411 PolarHBondContact O-N 2.87Å
412	K	64.3	Low	56.9	Low	109 Å²	109	97.4 Å²	97.4	47%	0.474	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-77.5	137.1	175.5	-67.9	-175.5	179.4	177.2	0	110.6	V409 Y524 D528	V409-K412 HydrophobicContact CB-CB 4.5Å; V409-K412 HydrophobicContact CB-CD 4.32Å; V409-K412 HydrophobicContact CG1-CD 4.25Å; V409-K412 HydrophobicContact CG1-CG 4.38Å; V409-K412 PolarHBondContact O-N 2.78Å; K412-Y524 PolarHBondContact NZ-OH 2.89Å; K412-D528 IonicContact NZ-OD1 3.17Å; K412-D528 IonicContact NZ-OD2 3.48Å; K412-D528 PolarHBondContact NZ-OD2 3.3Å
413	R	39.6	Very low	54.1	Low	233 Å²	233	103.4 Å²	103.4	88%	0.879	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-78.9	144.9	171	-61	-176.2	-168.4	171.1	5.8	109.5
414	P	39.6	Very low	51.6	Low	117 Å²	117	107.7 Å²	107.7	76%	0.76	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-60	146.1	171.6	-22.2	33.4	0	0	0	111.9	R416	P414-R416 PolarHBondContact O-N 3.46Å
415	P	38	Very low	49.1	Very low	132 Å²	132	106.7 Å²	106.7	86%	0.857	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-55.6	136.8	170.4	-25.1	34.9	0	0	0	111.6
416	R	29.8	Very low	46.2	Very low	231 Å²	231	110.6 Å²	110.6	87%	0.872	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-88	117.6	178	-171.3	-177.2	-169.4	-170.7	3.4	109.1	P414 T418	P414-R416 PolarHBondContact O-N 3.46Å; R416-T418 PolarHBondContact O-N 2.78Å; R416-T418 VanDerWaalsContact O-N 3.12Å
417	A	28.3	Very low	43.6	Very low	103 Å²	103	113.7 Å²	113.7	85%	0.851	69%	0.69	S	S	*	*			trans	-60.2	115.1	175.3	0	0	0	0	0	110.8
418	T	25.8	Very low	40.5	Very low	135 Å²	135	122.7 Å²	122.7	83%	0.828	73%	0.728	S	S	*	*			trans	-88.9	109.5	173.4	42.9	0	0	0	0	109.6	R416 A420	R416-T418 PolarHBondContact O-N 2.78Å; R416-T418 VanDerWaalsContact O-N 3.12Å; T418-A420 PolarHBondContact O-N 3.2Å
419	S	25.4	Very low	37.6	Very low	113 Å²	113	123.6 Å²	123.6	79%	0.79	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-65.7	125.2	168.7	-171.1	0	0	0	0	109.3
420	A	26.1	Very low	34.9	Very low	88 Å²	88	130.7 Å²	130.7	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.4	140.9	163.2	0	0	0	0	0	109.3	T418	T418-A420 PolarHBondContact O-N 3.2Å
421	C	25.3	Very low	32.4	Very low	127 Å²	127	132.2 Å²	132.2	86%	0.858	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.1	130.2	173.3	-68.7	0	0	0	0	109.7
422	A	25.6	Very low	30.6	Very low	85 Å²	85	136 Å²	136	70%	0.702	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.6	140.5	170.2	0	0	0	0	0	110.6	I424	A422-I424 PolarHBondContact O-N 3.09Å
423	P	29.4	Very low	28.8	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71	126.5	175.8	28.7	-33.5	0	0	0	110.9	S425	P423-S425 PolarHBondContact O-N 2.81Å
424	I	26.1	Very low	28.3	Very low	162 Å²	162	134.1 Å²	134.1	83%	0.831	82%	0.815	S	S	*	*			trans	-82.5	107.7	177.3	-59.5	172.7	0	0	0	108.9	A422	A422-I424 PolarHBondContact O-N 3.09Å
425	S	25.8	Very low	27.6	Very low	119 Å²	119	136 Å²	136	83%	0.832	82%	0.819	S	S	*	*			trans	-89.5	128.7	164.6	51.8	0	0	0	0	109.7	P423	P423-S425 PolarHBondContact O-N 2.81Å
426	S	25.6	Very low	27.2	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	82%	0.819	S	S	*	*			trans	-137.3	135.9	169.5	61.7	0	0	0	0	109.3
427	P	31.8	Very low	27	Very low	128 Å²	128	131.3 Å²	131.3	83%	0.831	81%	0.808	S	S	*	*			trans	-82.6	139.9	-173.1	32.2	-34.4	0	0	0	111.6
428	K	26.1	Very low	26.9	Very low	204 Å²	204	131.5 Å²	131.5	89%	0.887	80%	0.803	S	S	*	*			trans	-137.3	136.5	163	-73.8	-168.5	176	-178.3	0	110.8
429	T	28.1	Very low	26.9	Very low	134 Å²	134	132.3 Å²	132.3	82%	0.822	80%	0.801	S	S	*	*			trans	-101.7	143.1	-177.6	49.1	0	0	0	0	111.7
430	N	29.3	Very low	27	Very low	170 Å²	170	134.5 Å²	134.5	91%	0.909	80%	0.799	S	S	*	*			trans	-1.4	134.3	166.1	-56.9	-8.3	0	0	0	119.6
431	G	25.8	Very low	27	Very low	81 Å²	81	137.6 Å²	137.6	84%	0.835	80%	0.802	S	S	*	*			trans	-169.9	30.5	177	0	0	0	0	0	120.2
432	L	26.9	Very low	26.9	Very low	166 Å²	166	136.7 Å²	136.7	87%	0.869	80%	0.797	S	S	*	*			trans	26.3	118.5	161	-83.5	162.3	0	0	0	122.2
433	S	26.6	Very low	27.5	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	80%	0.797	S	S	*	*				102.3	145.9	122	79.4	0	0	0	0	123.1
434	K	28.6	Very low	27.3	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.857	79%	0.794	S	S	*	*			trans	84.6	118.9	164.6	-72.1	-171.8	172.8	-177.9	0	120.6
435	D	25.7	Very low	27.4	Very low	158 Å²	158	135.9 Å²	135.9	85%	0.845	79%	0.79	S	S	*	*			trans	-79.5	157.1	169.8	-36.4	-101.2	0	0	0	112.7
436	M	28.2	Very low	27.3	Very low	171 Å²	171	136.7 Å²	136.7	84%	0.842	78%	0.784	S	S	*	*				-167.6	161.1	115.2	-167.7	51.5	89.5	0	0	110.6
437	S	27.3	Very low	27.4	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	79%	0.792	S	S	*	*			trans	-67.5	175.7	169.7	62	0	0	0	0	112.1
438	S	25.2	Very low	27	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	79%	0.787	S	S	*	*			cis	-158.8	172.2	26.9	-34.1	0	0	0	0	112.5
439	L	26.8	Very low	27.1	Very low	151 Å²	151	135 Å²	135	79%	0.791	79%	0.792	S	S	*	*			trans	-81.9	166.8	170.7	-75.3	160.5	0	0	0	113.3
440	H	26.3	Very low	27	Very low	159 Å²	159	132.1 Å²	132.1	74%	0.736	79%	0.788	S	S	*	*			trans	105.7	126	147.7	-72.4	-68.5	0	0	0	122.5
441	I	25.8	Very low	26.9	Very low	153 Å²	153	131.5 Å²	131.5	79%	0.785	79%	0.785	S	S	*	*			trans	81.2	112.5	139.6	-66.5	165	0	0	0	119.3
442	S	24	Very low	27	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	78%	0.78	S	S	*	*			trans	-76.7	163.2	160.3	-30.3	0	0	0	0	111.2
443	P	37.5	Very low	27	Very low	109 Å²	109	130.5 Å²	130.5	71%	0.708	77%	0.774	S	S	*	*				-155.5	160.8	84.6	40.1	-20.8	0	0	0	118.8
444	N	25.7	Very low	27	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	78%	0.777	S	S	*	*			trans	50.6	128.1	139.8	-62.3	10	0	0	0	124.6
445	S	27.8	Very low	27	Very low	105 Å²	105	127.2 Å²	127.2	73%	0.734	77%	0.774	S	S	*	*				60.4	145.3	127.5	74.6	0	0	0	0	120.8
446	D	23.6	Very low	27	Very low	135 Å²	135	125.1 Å²	125.1	72%	0.722	77%	0.772	S	S	*	*			cis	-166.9	166.6	9.1	-139.6	-31.8	0	0	0	113.4
447	T	27.7	Very low	27.9	Very low	133 Å²	133	122.2 Å²	122.2	82%	0.816	77%	0.766	S	S	*	*			trans	61.1	151.8	159.7	61.4	0	0	0	0	121.1
448	G	24.9	Very low	27.9	Very low	70 Å²	70	123.6 Å²	123.6	72%	0.722	78%	0.776	S	S	*	*			trans	-169.8	-46.4	178.2	0	0	0	0	0	120.2
449	L	28.3	Very low	28.1	Very low	188 Å²	188	126 Å²	126	98%	0.984	78%	0.778	S	S	*	*			trans	67	153.3	-179.9	-55.5	171.2	0	0	0	118
450	G	26	Very low	28.1	Very low	73 Å²	73	124 Å²	124	75%	0.753	78%	0.777	S	S	*	*			trans	148.8	92.6	171.8	0	0	0	0	0	115.8
451	D	26.3	Very low	28.1	Very low	157 Å²	157	121.5 Å²	121.5	84%	0.84	78%	0.777	S	S	*	*			trans	-56.4	171.6	-176.1	-47.5	-44.5	0	0	0	115.6
452	S	27.4	Very low	28.2	Very low	104 Å²	104	119.8 Å²	119.8	73%	0.727	77%	0.774	S	S	*	*			cis	-177.5	168.3	37.8	-149.8	0	0	0	0	117
453	V	27.7	Very low	28.3	Very low	121 Å²	121	120.9 Å²	120.9	73%	0.733	78%	0.776	S	S	*	*			trans	66.8	102.8	158.7	-163.9	0	0	0	0	122.3
454	C	26.8	Very low	28	Very low	117 Å²	117	120.9 Å²	120.9	79%	0.791	78%	0.779	S	S	*	*			trans	48.8	154.1	132.3	-53	0	0	0	0	122.7
455	S	28.3	Very low	28.4	Very low	115 Å²	115	120.4 Å²	120.4	80%	0.804	78%	0.784	S	S	*	*			cis	-137.3	151.2	17.4	-65.5	0	0	0	0	114.4
456	S	26.3	Very low	28.5	Very low	114 Å²	114	124.5 Å²	124.5	80%	0.797	79%	0.788	S	S	*	*			trans	-118.4	-154.8	177.1	-42.7	0	0	0	0	108.8
457	P	46.3	Very low	28.6	Very low	111 Å²	111	126 Å²	126	72%	0.721	80%	0.796	S	S	*	*			cis	-134.4	176.4	-20.9	37.6	-20.4	0	0	0	114.7
458	S	26.9	Very low	28.5	Very low	121 Å²	121	126.5 Å²	126.5	85%	0.846	79%	0.793	S	S	*	*			trans	-152.4	118.9	137.5	-81.9	0	0	0	0	111.8
459	I	30	Very low	29.3	Very low	158 Å²	158	128.9 Å²	128.9	81%	0.81	80%	0.796	S	S	*	*			trans	-32.8	159	169.4	58.5	-179.6	0	0	0	117.9
460	S	27.6	Very low	29.6	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	78%	0.784	S	S	*	*			cis	-170.9	162.9	-18.3	52.6	0	0	0	0	110.7
461	S	25.6	Very low	30	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	78%	0.78	S	S	*	*			trans	-77.2	178.1	167.5	52.3	0	0	0	0	111.9
462	T	26.7	Very low	30.2	Very low	118 Å²	118	124.7 Å²	124.7	72%	0.724	78%	0.778	S	S	*	*			cis	-128.1	-156.7	10.5	50.4	0	0	0	0	110.7
463	T	27.1	Very low	30.8	Very low	130 Å²	130	124.2 Å²	124.2	80%	0.798	77%	0.773	S	S	*	*			cis	-162	167.1	11.2	-20	0	0	0	0	111.4
464	S	30.3	Very low	30.9	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	78%	0.778	S	S	*	*			trans	-80.9	156	165.1	-43.4	0	0	0	0	111.9
465	P	35.3	Very low	31	Very low	134 Å²	134	125 Å²	125	87%	0.87	77%	0.768	S	S	*	*				-151	-163.3	73.5	41.3	-20.1	0	0	0	115.8
466	K	30.2	Very low	31	Very low	191 Å²	191	126.2 Å²	126.2	83%	0.83	77%	0.766	S	S	*	*			trans	-86.9	152.2	174.7	-73.6	-179.4	171.9	-179	0	113.4
467	L	26.1	Very low	31.2	Very low	167 Å²	167	131 Å²	131	87%	0.874	77%	0.766	S	S	*	*				168.9	158.5	126.3	-88.9	162.3	0	0	0	112.1
468	D	25.1	Very low	30.4	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	77%	0.77	S	S	*	*			trans	-87.6	-175.7	-176.7	-38.7	-99.7	0	0	0	113.2
469	P	40.6	Very low	30.6	Very low	119 Å²	119	136.6 Å²	136.6	77%	0.773	76%	0.764	S	S	*	*			cis	-127.5	-127.2	-9.4	32.6	-6.7	0	0	0	110.1
470	P	35.5	Very low	30.6	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	76%	0.756	S	S	*	*			cis	-123.5	-98.7	-27.2	23.6	3.1	0	0	0	118.2
471	P	35	Very low	30.5	Very low	101 Å²	101	141.1 Å²	141.1	66%	0.656	76%	0.76	S	S	*	*			trans	-140.8	141.6	-135.5	41.7	-19.6	0	0	0	121.9
472	S	28.8	Very low	30.7	Very low	114 Å²	114	145.6 Å²	145.6	80%	0.797	76%	0.76	S	S	*	*			trans	67.8	176.2	148.4	83.7	0	0	0	0	119
473	P	40.5	Very low	30.9	Very low	95 Å²	95	149.9 Å²	149.9	62%	0.617	77%	0.769	S	S	*	*			cis	-137.2	-175.4	-2.5	34.9	-12.6	0	0	0	117.2
474	H	29.7	Very low	30.9	Very low	183 Å²	183	152.7 Å²	152.7	85%	0.847	77%	0.77	S	S	*	*			trans	71.8	151.9	161.4	-65.5	-52.6	0	0	0	120.5
475	A	28.2	Very low	30.9	Very low	70 Å²	70	152.4 Å²	152.4	58%	0.579	77%	0.768	S	S	*	*			cis	-168.4	167	-22.7	0	0	0	0	0	112.6
476	N	28.4	Very low	30.5	Very low	142 Å²	142	151.8 Å²	151.8	76%	0.759	76%	0.762	S	S	*	*			trans	73.9	144	166.6	-62.2	-52.9	0	0	0	117.6
477	R	30.8	Very low	30.3	Very low	215 Å²	215	147 Å²	147	81%	0.811	75%	0.752	S	S	*	*			cis	-150.7	133.6	-3.9	-127	159.1	71.4	168.5	0.8	112.9
478	K	29.3	Very low	30.3	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.787	75%	0.751	S	S	*	*			trans	5.6	147.8	134.6	-63.9	167.2	179.5	168.3	0	116.8
479	K	30.9	Very low	30.5	Very low	168 Å²	168	149.8 Å²	149.8	73%	0.73	76%	0.759	S	S	*	*			cis	-171.5	173.9	11.3	-127	-170.7	173.7	-175.5	0	107.2
480	H	30.3	Very low	29.9	Very low	138 Å²	138	152.5 Å²	152.5	64%	0.639	76%	0.758	S	S	*	*			cis	-163.4	160.7	-4.2	-156.4	17.3	0	0	0	107.7
481	R	26.2	Very low	29.6	Very low	222 Å²	222	151.3 Å²	151.3	84%	0.838	76%	0.758	S	S	*	*				141.4	139.3	97.5	175.9	-179.7	172.6	160.5	-5.2	107.3
482	R	29.9	Very low	29.3	Very low	201 Å²	201	152.9 Å²	152.9	76%	0.758	76%	0.761	S	S	*	*			cis	-169.1	117.8	-16.6	167.6	-177.8	-170.2	-179.1	6.1	107.5
483	K	31.4	Very low	29.2	Very low	209 Å²	209	151.2 Å²	151.2	91%	0.909	76%	0.762	S	S	*	*			trans	-69.2	151.9	161.7	-75.8	-173.8	176.2	-177.4	0	109.3
484	K	26.3	Very low	28.6	Very low	188 Å²	188	154.7 Å²	154.7	82%	0.817	77%	0.774	S	S	*	*			trans	-124	137.8	157.1	-171.8	-176.4	176.9	-168.7	0	107.9
485	S	29.3	Very low	28.5	Very low	104 Å²	104	151.8 Å²	151.8	73%	0.727	78%	0.775	S	S	*	*			trans	-117.5	159.7	179.2	46.9	0	0	0	0	111.3
486	T	27.4	Very low	28.5	Very low	120 Å²	120	151.6 Å²	151.6	74%	0.736	78%	0.78	S	S	*	*			trans	-149.1	99.6	160.4	37.6	0	0	0	0	104.4
487	S	26.4	Very low	28.5	Very low	90 Å²	90	152 Å²	152	63%	0.629	79%	0.787	S	S	*	*				72.2	100.1	84	67.2	0	0	0	0	111
488	N	26.6	Very low	28.5	Very low	156 Å²	156	145.9 Å²	145.9	83%	0.834	78%	0.783	S	S	*	*				100	123.3	62.7	-89.3	21.1	0	0	0	109.8
489	F	28.1	Very low	28.8	Very low	214 Å²	214	146.6 Å²	146.6	94%	0.939	79%	0.789	S	S	*	*			trans	-156.1	153.9	133	-101.5	-71.3	0	0	0	109.6
490	K	28.9	Very low	29.1	Very low	177 Å²	177	147.6 Å²	147.6	77%	0.77	80%	0.796	S	S	*	*			trans	-102.9	179.9	166.9	-51.6	-175.1	174.4	-166.7	0	108
491	A	29.6	Very low	29.5	Very low	89 Å²	89	149.5 Å²	149.5	74%	0.736	81%	0.805	S	S	*	*			cis	-161.9	170.4	17.3	0	0	0	0	0	110.5
492	D	29.1	Very low	30.5	Very low	134 Å²	134	148 Å²	148	72%	0.717	81%	0.808	S	S	*	*			cis	-174.7	101	-32.8	-82.9	-30.7	0	0	0	104.7
493	G	26.3	Very low	31.6	Very low	79 Å²	79	145.6 Å²	145.6	81%	0.814	81%	0.805	S	S	*	*			trans	-159.7	104.6	-166.6	0	0	0	0	0	120
494	L	27.3	Very low	33.4	Very low	168 Å²	168	138.3 Å²	138.3	88%	0.88	78%	0.776	S	S	*	*			trans	34.7	116.3	149.9	-72.2	162.4	0	0	0	122.9
495	S	28.1	Very low	36.2	Very low	123 Å²	123	131.9 Å²	131.9	86%	0.86	75%	0.748	S	S	*	*			trans	65.7	121.8	144.4	65.6	0	0	0	0	121
496	G	28.3	Very low	39.1	Very low	66 Å²	66	128.2 Å²	128.2	68%	0.68	72%	0.72	S	S	*	*			trans	138.3	131.9	154.2	0	0	0	0	0	115.5
497	T	28	Very low	42.2	Very low	150 Å²	150	122.5 Å²	122.5	92%	0.92	69%	0.685	S	S	*	*			trans	65.5	151.9	159.8	52	0	0	0	0	120.6
498	A	31.7	Very low	45.3	Very low	87 Å²	87	119.7 Å²	119.7	72%	0.719	66%	0.662	S	S	*	*			trans	-4.4	133.1	173	0	0	0	0	0	120.3	E500	A498-E500 PolarHBondContact O-N 3.03Å
499	E	35.1	Very low	48.4	Very low	195 Å²	195	112.2 Å²	112.2	91%	0.911	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-67.5	116	156.5	-66.8	-173	144.7	0	0	109.5	Q501	E499-Q501 PolarHBondContact O-N 2.8Å
500	E	36.6	Very low	51.3	Low	190 Å²	190	103.3 Å²	103.3	89%	0.888	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-63.5	117	176.1	-62.1	175.9	139.3	0	0	110	A498 E502	A498-E500 PolarHBondContact O-N 3.03Å; E500-E502 PolarHBondContact O-N 3.2Å
501	Q	39.1	Very low	54	Low	178 Å²	178	95.5 Å²	95.5	83%	0.832	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-72	121.1	162.4	-66.2	-174.8	14.8	0	0	107.4	E499 E503	E499-Q501 PolarHBondContact O-N 2.8Å; Q501-E503 PolarHBondContact O-N 3.38Å
502	E	46.3	Very low	56	Low	191 Å²	191	97.3 Å²	97.3	89%	0.893	55%	0.55	S	S	*	.			trans	-58.1	104.2	173.1	-69	-175.5	133.1	0	0	109.2	E500 N504	E500-E502 PolarHBondContact O-N 3.2Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 3.04Å
503	E	54.4	Low	58.3	Low	150 Å²	150	95.5 Å²	95.5	70%	0.701	54%	0.544	S	S	*	.			trans	-69.7	80.2	-176.8	-65.3	-164	142	0	0	111.1	Q501 F505	Q501-E503 PolarHBondContact O-N 3.38Å; E503-F505 HydrophobicContact CB-CE1 4.18Å; E503-F505 HydrophobicContact CB-CE2 4.03Å; E503-F505 HydrophobicContact CB-CZ 3.62Å; E503-F505 VanDerWaalsContact O-CD2 3.25Å; E503-F505 WeakPolarHBondContact O-CD2 3.45Å; E503-F505 VanDerWaalsContact O-CE2 3.28Å; E503-F505 WeakPolarHBondContact O-CE2 3.26Å; E503-F505 PolarHBondContact O-N 2.96Å
504	N	68.7	Low	60.8	Low	55 Å²	55	94.4 Å²	94.4	29%	0.294	53%	0.532	S	S	.	.			trans	-78.6	95.7	-172.2	-179.3	32.4	0	0	0	112.1	P410 E502 E506 R527	P410-N504 WeakPolarHBondContact CB-ND2 3.31Å; P410-N504 PolarHBondContact O-ND2 3.06Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 3.04Å; N504-E506 PolarHBondContact O-N 3.12Å; N504-E506 WeakPolarHBondContact OD1-CB 3.44Å; N504-E506 PolarHBondContact OD1-N 3.42Å; N504-E506 VanDerWaalsContact OD1-N 3.16Å; N504-R527 PolarHBondContact O-NH1 2.8Å
505	F	85.1	Confident	63.5	Low	53 Å²	53	92 Å²	92	23%	0.232	52%	0.517	C	S	.	.			trans	-76.9	1.5	174.2	-47.9	-65.5	0	0	0	114	E503 E520 A521	E503-F505 HydrophobicContact CB-CE1 4.18Å; E503-F505 HydrophobicContact CB-CE2 4.03Å; E503-F505 HydrophobicContact CB-CZ 3.62Å; E503-F505 VanDerWaalsContact O-CD2 3.25Å; E503-F505 WeakPolarHBondContact O-CD2 3.45Å; E503-F505 VanDerWaalsContact O-CE2 3.28Å; E503-F505 WeakPolarHBondContact O-CE2 3.26Å; E503-F505 PolarHBondContact O-N 2.96Å; F505-E520 HydrophobicContact CB-CG 4.4Å; F505-A521 PolarHBondContact O-N 3.22Å
506	E	89.6	Confident	66.4	Low	27 Å²	27	89.4 Å²	89.4	13%	0.126	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.2	178	-174.1	171.1	-150.9	0	0	112.6	R360 W369 P410 N504 I508 H518 F519	R360-E506 IonicContact CZ-OE1 3.78Å; R360-E506 IonicContact NH1-OE1 2.7Å; R360-E506 PolarHBondContact NH1-OE1 3.06Å; R360-E506 IonicContact NH1-OE2 2.6Å; R360-E506 IonicContact NH2-OE1 2.72Å; W369-E506 HydrophobicContact CH2-CG 4.09Å; P410-E506 WeakPolarHBondContact CD-O 3.23Å; P410-E506 HydrophobicContact CG-CG 4.41Å; N504-E506 PolarHBondContact O-N 3.12Å; N504-E506 WeakPolarHBondContact OD1-CB 3.44Å; N504-E506 PolarHBondContact OD1-N 3.42Å; N504-E506 VanDerWaalsContact OD1-N 3.16Å; E506-I508 HydrophobicContact CG-CG1 4.27Å; E506-H518 WeakPolarHBondContact OE1-CB 3.39Å; E506-H518 IonicContact OE1-CE1 3.81Å; E506-H518 IonicContact OE1-CG 2.68Å; E506-H518 IonicContact OE1-ND1 2.63Å; E506-H518 PolarHBondContact OE1-ND1 3.43Å; E506-F519 CarbonylContact C-O 3.58Å; E506-F519 VanDerWaalsContact CA-O 3.31Å; E506-F519 WeakPolarHBondContact CA-O 3.2Å
507	F	92.8	Very high	69.4	Low	1 Å²	1	87.9 Å²	87.9	0%	0.004	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.7	161.5	71.1	-86	0	0	0	111	L357 V407 V409 I509 F519 R527 W530 V531 I534	L357-F507 HydrophobicContact CD1-CE1 4Å; L357-F507 HydrophobicContact CD1-CZ 3.68Å; L357-F507 HydrophobicContact CD2-CE1 4.35Å; V407-F507 HydrophobicContact CG2-CB 4.43Å; V407-F507 HydrophobicContact CG2-CD2 3.78Å; V409-F507 HydrophobicContact CG2-CB 4.49Å; F507-I509 HydrophobicContact CE2-CG1 4.41Å; F507-F519 HydrophobicContact CD1-CB 4.02Å; F507-F519 HydrophobicContact CD2-CB 4.27Å; F507-F519 HydrophobicContact CE1-CB 3.6Å; F507-F519 HydrophobicContact CE2-CB 3.87Å; F507-F519 HydrophobicContact CE2-CD2 4.17Å; F507-F519 HydrophobicContact CE2-CG 4.29Å; F507-F519 HydrophobicContact CG-CB 4.36Å; F507-F519 HydrophobicContact CZ-CB 3.53Å; F507-F519 HydrophobicContact CZ-CD2 4.44Å; F507-F519 HydrophobicContact CZ-CG 4.12Å; F507-F519 PolarHBondContact N-O 3.17Å; F507-F519 PolarHBondContact O-N 2.76Å; F507-R527 HydrophobicContact CB-CG 4.35Å; F507-R527 HydrophobicContact CD1-CG 3.98Å; F507-W530 HydrophobicContact CE1-CB 4.15Å; F507-W530 HydrophobicContact CZ-CB 3.99Å; F507-W530 HydrophobicContact CZ-CG 4.47Å; F507-V531 HydrophobicContact CB-CG2 3.92Å; F507-V531 HydrophobicContact CD2-CG2 4.32Å; F507-V531 HydrophobicContact CG-CG2 4.08Å; F507-I534 HydrophobicContact CE2-CD1 3.72Å; F507-I534 HydrophobicContact CZ-CD1 4.31Å
508	I	91.9	Very high	72.5	Confident	30 Å²	30	82.6 Å²	82.6	15%	0.154	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.8	-171.6	-48.2	175.5	0	0	0	109.5	V407 K408 P410 E506 V510 W517	V407-I508 CarbonylContact C-O 3.52Å; V407-I508 WeakPolarHBondContact CA-O 3.41Å; K408-I508 PolarHBondContact N-O 2.69Å; K408-I508 PolarHBondContact O-N 2.86Å; P410-I508 HydrophobicContact CG-CD1 3.88Å; P410-I508 HydrophobicContact CG-CG1 4.24Å; E506-I508 HydrophobicContact CG-CG1 4.27Å; I508-V510 HydrophobicContact CG2-CG2 3.83Å; I508-W517 WeakPolarHBondContact CA-O 3.33Å
509	I	92.1	Very high	75.4	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132	166.4	-51.4	-179.7	0	0	0	107.8	L382 I400 T405 T406 F507 T516 W517 F519 I534	L382-I509 HydrophobicContact CD1-CD1 4.3Å; L382-I509 HydrophobicContact CD2-CD1 4.31Å; I400-I509 HydrophobicContact CD1-CD1 4.34Å; I400-I509 HydrophobicContact CG2-CG2 4.25Å; T405-I509 HydrophobicContact CG2-CG2 3.9Å; T406-I509 CarbonylContact O-C 3.47Å; F507-I509 HydrophobicContact CE2-CG1 4.41Å; I509-T516 CarbonylContact O-C 3.5Å; I509-T516 VanDerWaalsContact O-CA 3.29Å; I509-T516 WeakPolarHBondContact O-CA 3.14Å; I509-W517 HydrophobicContact CB-CB 4.46Å; I509-W517 HydrophobicContact CB-CE3 4.26Å; I509-W517 HydrophobicContact CG2-CE3 4.2Å; I509-W517 PolarHBondContact N-O 3.22Å; I509-W517 PolarHBondContact O-N 2.99Å; I509-F519 HydrophobicContact CD1-CD2 4.23Å; I509-F519 HydrophobicContact CD1-CE2 3.9Å; I509-F519 HydrophobicContact CG1-CD2 4.36Å; I509-F519 HydrophobicContact CG1-CE2 4.4Å; I509-I534 HydrophobicContact CD1-CD1 4.14Å
510	V	88.2	Confident	78.2	Confident	27 Å²	27	71.5 Å²	71.5	16%	0.164	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.9	-177.8	-177.8	0	0	0	0	109.5	T405 T406 K408 I508 Q515 T516	T405-V510 CarbonylContact C-O 3.56Å; T405-V510 VanDerWaalsContact CA-O 3.31Å; T405-V510 WeakPolarHBondContact CA-O 3.3Å; T406-V510 PolarHBondContact N-O 3.34Å; T406-V510 PolarHBondContact O-N 2.91Å; T406-V510 PolarHBondContact OG1-O 3.23Å; K408-V510 HydrophobicContact CD-CG2 4.11Å; I508-V510 HydrophobicContact CG2-CG2 3.83Å; V510-Q515 WeakPolarHBondContact CA-O 3.46Å; V510-T516 HydrophobicContact CB-CG2 4.45Å; V510-T516 HydrophobicContact CG1-CG2 4.19Å; V510-T516 HydrophobicContact CG2-CG2 3.97Å
511	S	85.6	Confident	80.8	Confident	13 Å²	13	62.7 Å²	62.7	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	158.9	175.5	70	0	0	0	0	112.8	R404 T513 G514 Q515	R404-S511 CarbonylContact O-C 3.54Å; R404-S511 VanDerWaalsContact O-CA 3.3Å; R404-S511 WeakPolarHBondContact O-CA 3.42Å; S511-T513 PolarHBondContact O-N 2.94Å; S511-T513 VanDerWaalsContact O-N 3.14Å; S511-T513 PolarHBondContact OG-N 2.9Å; S511-T513 PolarHBondContact OG-OG1 2.81Å; S511-G514 PolarHBondContact O-N 3.45Å; S511-G514 PolarHBondContact OG-N 2.88Å; S511-Q515 PolarHBondContact N-O 3.13Å; S511-Q515 WeakPolarHBondContact OG-CB 3.37Å; S511-Q515 PolarHBondContact OG-N 3.43Å; S511-Q515 PolarHBondContact OG-O 3.37Å
512	L	72.9	Confident	83.1	Confident	126 Å²	126	58.9 Å²	58.9	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.2	169.6	-67.8	176.7	0	0	0	113.1	R404 G514	R404-L512 HydrophobicContact CB-CD1 4.07Å; R404-L512 HydrophobicContact CB-CG 4.43Å; R404-L512 PolarHBondContact O-N 3.27Å; L512-G514 VanDerWaalsContact C-N 3.34Å
513	T	77.4	Confident	85	Confident	97 Å²	97	52.4 Å²	52.4	60%	0.595	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	4.4	174.2	54.6	0	0	0	0	113.6	S511 Q515	S511-T513 PolarHBondContact O-N 2.94Å; S511-T513 VanDerWaalsContact O-N 3.14Å; S511-T513 PolarHBondContact OG-N 2.9Å; S511-T513 PolarHBondContact OG-OG1 2.81Å; T513-Q515 VanDerWaalsContact C-N 3.34Å; T513-Q515 PolarHBondContact O-N 2.71Å
514	G	76.8	Confident	86.4	Confident	56 Å²	56	50.3 Å²	50.3	58%	0.577	28%	0.276	S	S	*	.	S	Bend	trans	79.6	6.3	177.5	0	0	0	0	0	115.4	S511 L512	S511-G514 PolarHBondContact O-N 3.45Å; S511-G514 PolarHBondContact OG-N 2.88Å; L512-G514 VanDerWaalsContact C-N 3.34Å
515	Q	84.6	Confident	87.3	Confident	118 Å²	118	53.7 Å²	53.7	55%	0.551	29%	0.29	S	S	*	.			trans	-72.6	141.1	170.9	-56.2	-173.7	21.8	0	0	109.5	V510 S511 T513 W517	V510-Q515 WeakPolarHBondContact CA-O 3.46Å; S511-Q515 PolarHBondContact N-O 3.13Å; S511-Q515 WeakPolarHBondContact OG-CB 3.37Å; S511-Q515 PolarHBondContact OG-N 3.43Å; S511-Q515 PolarHBondContact OG-O 3.37Å; T513-Q515 VanDerWaalsContact C-N 3.34Å; T513-Q515 PolarHBondContact O-N 2.71Å; Q515-W517 HydrophobicContact CB-CH2 3.74Å; Q515-W517 HydrophobicContact CB-CZ2 4.22Å; Q515-W517 HydrophobicContact CB-CZ3 4.07Å; Q515-W517 WeakPolarHBondContact O-CZ3 3.31Å
516	T	88.6	Confident	87.4	Confident	68 Å²	68	53.2 Å²	53.2	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.8	-179.5	70.2	0	0	0	0	113	I509 V510	I509-T516 CarbonylContact O-C 3.5Å; I509-T516 VanDerWaalsContact O-CA 3.29Å; I509-T516 WeakPolarHBondContact O-CA 3.14Å; V510-T516 HydrophobicContact CB-CG2 4.45Å; V510-T516 HydrophobicContact CG1-CG2 4.19Å; V510-T516 HydrophobicContact CG2-CG2 3.97Å
517	W	92.3	Very high	87.4	Confident	33 Å²	33	52.5 Å²	52.5	13%	0.125	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.9	172.8	-57.4	-105.2	0	0	0	109.1	Y384 I400 T405 I508 I509 Q515 F519	Y384-W517 AromaticContact CE1-CD1 3.91Å; I400-W517 HydrophobicContact CD1-CB 4.01Å; I400-W517 HydrophobicContact CD1-CD2 3.61Å; I400-W517 HydrophobicContact CD1-CE3 4.24Å; I400-W517 HydrophobicContact CD1-CG 3.48Å; I400-W517 VanDerWaalsContact CD1-CG 3.48Å; I400-W517 HydrophobicContact CG1-CD2 4.17Å; I400-W517 HydrophobicContact CG1-CG 4.4Å; I400-W517 HydrophobicContact CG1-CZ2 4.22Å; I400-W517 HydrophobicContact CG2-CE3 4.29Å; I400-W517 HydrophobicContact CG2-CH2 4.21Å; I400-W517 HydrophobicContact CG2-CZ2 4.43Å; I400-W517 HydrophobicContact CG2-CZ3 4.13Å; T405-W517 HydrophobicContact CG2-CZ3 4.5Å; I508-W517 WeakPolarHBondContact CA-O 3.33Å; I509-W517 HydrophobicContact CB-CB 4.46Å; I509-W517 HydrophobicContact CB-CE3 4.26Å; I509-W517 HydrophobicContact CG2-CE3 4.2Å; I509-W517 PolarHBondContact N-O 3.22Å; I509-W517 PolarHBondContact O-N 2.99Å; Q515-W517 HydrophobicContact CB-CH2 3.74Å; Q515-W517 HydrophobicContact CB-CZ2 4.22Å; Q515-W517 HydrophobicContact CB-CZ3 4.07Å; Q515-W517 WeakPolarHBondContact O-CZ3 3.31Å; W517-F519 HydrophobicContact CB-CD2 4.19Å; W517-F519 HydrophobicContact CB-CE2 3.59Å; W517-F519 HydrophobicContact CB-CZ 4.37Å
518	H	92.2	Very high	87.2	Confident	39 Å²	39	54.4 Å²	54.4	18%	0.181	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.1	177.3	-66.7	-91.5	0	0	0	109.8	R360 W369 E506	R360-H518 HydrophobicContact CB-CB 3.86Å; R360-H518 PolarHBondContact N-O 2.94Å; R360-H518 VanDerWaalsContact N-O 3.11Å; R360-H518 PolarHBondContact NH2-CE1 3Å; R360-H518 VanDerWaalsContact NH2-CG 3.34Å; R360-H518 PolarHBondContact NH2-ND1 3.3Å; R360-H518 PolarHBondContact NH2-NE2 3.48Å; W369-H518 HydrophobicContact CH2-CB 4.19Å; W369-H518 HydrophobicContact CZ3-CB 4.41Å; E506-H518 WeakPolarHBondContact OE1-CB 3.39Å; E506-H518 IonicContact OE1-CE1 3.81Å; E506-H518 IonicContact OE1-CG 2.68Å; E506-H518 IonicContact OE1-ND1 2.63Å; E506-H518 PolarHBondContact OE1-ND1 3.43Å
519	F	94.1	Very high	87.1	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.7	177.5	-69.3	-82.6	0	0	0	110.3	L357 L358 K359 V374 L382 Y384 I400 E506 F507 I509 W517	L357-F519 HydrophobicContact CB-CD1 4.12Å; L357-F519 HydrophobicContact CD1-CB 4.42Å; L357-F519 HydrophobicContact CD1-CD1 4.12Å; L357-F519 HydrophobicContact CD1-CG 4.48Å; L358-F519 CarbonylContact O-C 3.54Å; L358-F519 VanDerWaalsContact O-CA 3.26Å; L358-F519 WeakPolarHBondContact O-CA 3.34Å; K359-F519 HydrophobicContact CB-CD1 4.09Å; K359-F519 HydrophobicContact CB-CE1 4.07Å; K359-F519 HydrophobicContact CG-CD1 3.72Å; K359-F519 HydrophobicContact CG-CE1 3.39Å; K359-F519 HydrophobicContact CG-CZ 3.96Å; V374-F519 HydrophobicContact CG2-CD1 4.5Å; V374-F519 HydrophobicContact CG2-CE1 3.99Å; L382-F519 HydrophobicContact CD2-CZ 4.29Å; Y384-F519 HydrophobicContact CD1-CZ 4.16Å; Y384-F519 HydrophobicContact CG-CZ 4.48Å; I400-F519 HydrophobicContact CD1-CE2 4.19Å; I400-F519 HydrophobicContact CD1-CZ 4.31Å; E506-F519 CarbonylContact C-O 3.58Å; E506-F519 VanDerWaalsContact CA-O 3.31Å; E506-F519 WeakPolarHBondContact CA-O 3.2Å; F507-F519 HydrophobicContact CD1-CB 4.02Å; F507-F519 HydrophobicContact CD2-CB 4.27Å; F507-F519 HydrophobicContact CE1-CB 3.6Å; F507-F519 HydrophobicContact CE2-CB 3.87Å; F507-F519 HydrophobicContact CE2-CD2 4.17Å; F507-F519 HydrophobicContact CE2-CG 4.29Å; F507-F519 HydrophobicContact CG-CB 4.36Å; F507-F519 HydrophobicContact CZ-CB 3.53Å; F507-F519 HydrophobicContact CZ-CD2 4.44Å; F507-F519 HydrophobicContact CZ-CG 4.12Å; F507-F519 PolarHBondContact N-O 3.17Å; F507-F519 PolarHBondContact O-N 2.76Å; I509-F519 HydrophobicContact CD1-CD2 4.23Å; I509-F519 HydrophobicContact CD1-CE2 3.9Å; I509-F519 HydrophobicContact CG1-CD2 4.36Å; I509-F519 HydrophobicContact CG1-CE2 4.4Å; W517-F519 HydrophobicContact CB-CD2 4.19Å; W517-F519 HydrophobicContact CB-CE2 3.59Å; W517-F519 HydrophobicContact CB-CZ 4.37Å
520	E	92.9	Very high	87.1	Confident	47 Å²	47	54.7 Å²	54.7	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.3	-178.1	166.7	-176.9	-130	0	0	107.4	L358 W369 F505	L358-E520 HydrophobicContact CB-CB 3.9Å; L358-E520 HydrophobicContact CB-CG 4.19Å; L358-E520 HydrophobicContact CD1-CG 4.12Å; L358-E520 WeakPolarHBondContact CD1-OE2 3.35Å; L358-E520 PolarHBondContact N-O 2.94Å; L358-E520 PolarHBondContact O-N 2.94Å; W369-E520 VanDerWaalsContact CD2-OE2 3.3Å; W369-E520 HydrophobicContact CE3-CB 4.12Å; W369-E520 HydrophobicContact CH2-CB 3.72Å; W369-E520 HydrophobicContact CZ2-CB 4.28Å; W369-E520 HydrophobicContact CZ3-CB 3.61Å; F505-E520 HydrophobicContact CB-CG 4.4Å
521	A	91.7	Very high	87.3	Confident	5 Å²	5	54 Å²	54	4%	0.041	30%	0.297	C	S	.	.			trans	-97.5	172.6	-178.6	0	0	0	0	0	111.2	L357 F505 E526 R527	L357-A521 HydrophobicContact CD2-CB 3.82Å; F505-A521 PolarHBondContact O-N 3.22Å; A521-E526 HydrophobicContact CB-CB 4.1Å; A521-E526 HydrophobicContact CB-CG 4.4Å; A521-R527 HydrophobicContact CB-CB 3.91Å
522	T	86.4	Confident	87.5	Confident	98 Å²	98	60 Å²	60	60%	0.601	32%	0.324	S	S	*	.	S	Bend	trans	-86.9	-19.5	-179.2	59.9	0	0	0	0	114.5	E526	T522-E526 PolarHBondContact N-OE2 2.72Å; T522-E526 PolarHBondContact OG1-OE2 2.68Å
523	T	87.6	Confident	88.3	Confident	55 Å²	55	55 Å²	55	34%	0.337	30%	0.3	S	S	.	.	S	Bend	trans	-143.4	170.8	174.1	83.1	0	0	0	0	111.5	E525 E526 R527	T523-E525 VanDerWaalsContact C-N 3.34Å; T523-E525 WeakPolarHBondContact CB-OE2 3.46Å; T523-E525 PolarHBondContact OG1-N 3.46Å; T523-E525 PolarHBondContact OG1-OE2 3.41Å; T523-E526 PolarHBondContact OG1-N 2.75Å; T523-E526 VanDerWaalsContact OG1-N 3.07Å; T523-R527 PolarHBondContact O-N 3.01Å; T523-R527 VanDerWaalsContact O-N 3.07Å
524	Y	83.9	Confident	88.9	Confident	107 Å²	107	50.3 Å²	50.3	42%	0.42	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-41.8	174.2	178.2	-71.9	0	0	0	111.3	K412 R527 D528	K412-Y524 PolarHBondContact NZ-OH 2.89Å; Y524-R527 WeakPolarHBondContact O-CB 3.31Å; Y524-R527 PolarHBondContact O-N 3.42Å; Y524-D528 HydrophobicContact CE1-CB 4.4Å; Y524-D528 VanDerWaalsContact CE1-OD2 3.28Å; Y524-D528 WeakPolarHBondContact CE1-OD2 3.25Å; Y524-D528 PolarHBondContact O-N 3.35Å; Y524-D528 PolarHBondContact OH-OD2 2.98Å
525	E	85.8	Confident	89.5	Confident	125 Å²	125	52 Å²	52	58%	0.584	27%	0.265	S	S	*	.	H	α-helix	trans	-69	-42	-178	-51.8	65.5	-135	0	0	110.2	T523 R527 D528 A529	T523-E525 VanDerWaalsContact C-N 3.34Å; T523-E525 WeakPolarHBondContact CB-OE2 3.46Å; T523-E525 PolarHBondContact OG1-N 3.46Å; T523-E525 PolarHBondContact OG1-OE2 3.41Å; E525-R527 VanDerWaalsContact C-N 3.33Å; E525-R527 PolarHBondContact O-N 3.44Å; E525-D528 PolarHBondContact O-N 2.93Å; E525-A529 WeakPolarHBondContact O-CB 3.3Å; E525-A529 PolarHBondContact O-N 3.24Å
526	E	88.6	Confident	89.6	Confident	43 Å²	43	49.9 Å²	49.9	20%	0.201	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-42.6	174.3	-157.6	-151.9	165.1	0	0	110.5	A521 T522 T523 W530	A521-E526 HydrophobicContact CB-CB 4.1Å; A521-E526 HydrophobicContact CB-CG 4.4Å; T522-E526 PolarHBondContact N-OE2 2.72Å; T522-E526 PolarHBondContact OG1-OE2 2.68Å; T523-E526 PolarHBondContact OG1-N 2.75Å; T523-E526 VanDerWaalsContact OG1-N 3.07Å; E526-W530 PolarHBondContact O-N 2.98Å; E526-W530 PolarHBondContact OE1-NE1 2.9Å; E526-W530 VanDerWaalsContact OE1-NE1 3.14Å
527	R	89.5	Confident	89.5	Confident	12 Å²	12	47.4 Å²	47.4	5%	0.045	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-55.9	175.7	-171.9	-160.4	66.6	-136	-15	111.2	N504 F507 A521 T523 Y524 E525 A529 W530 V531	N504-R527 PolarHBondContact O-NH1 2.8Å; F507-R527 HydrophobicContact CB-CG 4.35Å; F507-R527 HydrophobicContact CD1-CG 3.98Å; A521-R527 HydrophobicContact CB-CB 3.91Å; T523-R527 PolarHBondContact O-N 3.01Å; T523-R527 VanDerWaalsContact O-N 3.07Å; Y524-R527 WeakPolarHBondContact O-CB 3.31Å; Y524-R527 PolarHBondContact O-N 3.42Å; E525-R527 VanDerWaalsContact C-N 3.33Å; E525-R527 PolarHBondContact O-N 3.44Å; R527-A529 VanDerWaalsContact C-N 3.33Å; R527-A529 PolarHBondContact O-N 2.92Å; R527-W530 PolarHBondContact O-N 2.6Å; R527-W530 VanDerWaalsContact O-N 3.11Å; R527-V531 WeakPolarHBondContact O-CG2 3.23Å; R527-V531 PolarHBondContact O-N 3.46Å
528	D	88.1	Confident	89.2	Confident	41 Å²	41	46.8 Å²	46.8	22%	0.219	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-31.7	-174.8	-78.8	11.4	0	0	0	111.4	K412 Y524 E525 W530 V531 Q532	K412-D528 IonicContact NZ-OD1 3.17Å; K412-D528 IonicContact NZ-OD2 3.48Å; K412-D528 PolarHBondContact NZ-OD2 3.3Å; Y524-D528 HydrophobicContact CE1-CB 4.4Å; Y524-D528 VanDerWaalsContact CE1-OD2 3.28Å; Y524-D528 WeakPolarHBondContact CE1-OD2 3.25Å; Y524-D528 PolarHBondContact O-N 3.35Å; Y524-D528 PolarHBondContact OH-OD2 2.98Å; E525-D528 PolarHBondContact O-N 2.93Å; D528-W530 VanDerWaalsContact C-N 3.33Å; D528-W530 PolarHBondContact O-N 3.45Å; D528-V531 PolarHBondContact O-N 3.34Å; D528-Q532 VanDerWaalsContact O-CB 3.25Å; D528-Q532 WeakPolarHBondContact O-CB 3.34Å; D528-Q532 PolarHBondContact O-N 3.46Å
529	A	89.5	Confident	88.7	Confident	34 Å²	34	49.7 Å²	49.7	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-72.5	-18.1	171.5	0	0	0	0	0	114.3	K353 E525 R527 A533	K353-A529 WeakPolarHBondContact CD-O 3.39Å; K353-A529 WeakPolarHBondContact CE-O 3.34Å; K353-A529 PolarHBondContact NZ-O 3.18Å; E525-A529 WeakPolarHBondContact O-CB 3.3Å; E525-A529 PolarHBondContact O-N 3.24Å; R527-A529 VanDerWaalsContact C-N 3.33Å; R527-A529 PolarHBondContact O-N 2.92Å; A529-A533 WeakPolarHBondContact O-CB 3.43Å
530	W	93.4	Very high	87.9	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.011	28%	0.277	C	S	.	.	H	α-helix	trans	-82.3	-43.2	166.4	-88.2	109.2	0	0	0	111.5	K353 L357 V374 L376 F507 E526 R527 D528 A533 I534	K353-W530 HydrophobicContact CB-CH2 4.23Å; K353-W530 HydrophobicContact CB-CZ3 4.05Å; K353-W530 HydrophobicContact CD-CD2 3.66Å; K353-W530 HydrophobicContact CD-CE3 3.63Å; K353-W530 HydrophobicContact CD-CG 4.18Å; K353-W530 HydrophobicContact CD-CH2 4.29Å; K353-W530 HydrophobicContact CD-CZ2 4.32Å; K353-W530 HydrophobicContact CD-CZ3 3.96Å; K353-W530 VanDerWaalsContact CE-CD2 3.5Å; K353-W530 HydrophobicContact CG-CD2 4.34Å; K353-W530 HydrophobicContact CG-CE3 4.18Å; K353-W530 HydrophobicContact CG-CH2 3.94Å; K353-W530 HydrophobicContact CG-CZ2 4.11Å; K353-W530 HydrophobicContact CG-CZ3 3.97Å; L357-W530 HydrophobicContact CD1-CD2 3.95Å; L357-W530 HydrophobicContact CD1-CE3 4.42Å; L357-W530 HydrophobicContact CD1-CG 4.19Å; L357-W530 HydrophobicContact CD1-CZ2 4.33Å; L357-W530 HydrophobicContact CD2-CG 4.47Å; V374-W530 HydrophobicContact CB-CH2 4.13Å; V374-W530 HydrophobicContact CG1-CH2 4.01Å; V374-W530 HydrophobicContact CG1-CZ3 4.07Å; L376-W530 HydrophobicContact CB-CZ3 4.29Å; F507-W530 HydrophobicContact CE1-CB 4.15Å; F507-W530 HydrophobicContact CZ-CB 3.99Å; F507-W530 HydrophobicContact CZ-CG 4.47Å; E526-W530 PolarHBondContact O-N 2.98Å; E526-W530 PolarHBondContact OE1-NE1 2.9Å; E526-W530 VanDerWaalsContact OE1-NE1 3.14Å; R527-W530 PolarHBondContact O-N 2.6Å; R527-W530 VanDerWaalsContact O-N 3.11Å; D528-W530 VanDerWaalsContact C-N 3.33Å; D528-W530 PolarHBondContact O-N 3.45Å; W530-A533 PolarHBondContact O-N 3.44Å; W530-I534 WeakPolarHBondContact O-CB 3.44Å; W530-I534 WeakPolarHBondContact O-CD1 3.39Å; W530-I534 VanDerWaalsContact O-CG1 3.26Å; W530-I534 WeakPolarHBondContact O-CG1 3.33Å; W530-I534 PolarHBondContact O-N 3.06Å
531	V	91.8	Very high	86.9	Confident	13 Å²	13	49.5 Å²	49.5	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-52.1	176.1	171.2	0	0	0	0	110.3	V407 V409 F507 R527 D528 A533 I534 E535	V407-V531 HydrophobicContact CG1-CG1 3.98Å; V407-V531 HydrophobicContact CG2-CG1 4.43Å; V407-V531 HydrophobicContact CG2-CG2 4.12Å; V409-V531 HydrophobicContact CG2-CG1 4.49Å; V409-V531 HydrophobicContact CG2-CG2 3.91Å; F507-V531 HydrophobicContact CB-CG2 3.92Å; F507-V531 HydrophobicContact CD2-CG2 4.32Å; F507-V531 HydrophobicContact CG-CG2 4.08Å; R527-V531 WeakPolarHBondContact O-CG2 3.23Å; R527-V531 PolarHBondContact O-N 3.46Å; D528-V531 PolarHBondContact O-N 3.34Å; V531-A533 VanDerWaalsContact C-N 3.33Å; V531-A533 PolarHBondContact O-N 3.29Å; V531-I534 PolarHBondContact O-N 3.15Å; V531-I534 VanDerWaalsContact O-N 3.14Å; V531-E535 HydrophobicContact CG1-CG 4.35Å; V531-E535 WeakPolarHBondContact O-CG 3.25Å; V531-E535 PolarHBondContact O-N 2.77Å
532	Q	90	Very high	85.8	Confident	138 Å²	138	53.6 Å²	53.6	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-59.3	-40.6	178.8	-173	-173.9	20.1	0	0	112.4	D528 S536	D528-Q532 VanDerWaalsContact O-CB 3.25Å; D528-Q532 WeakPolarHBondContact O-CB 3.34Å; D528-Q532 PolarHBondContact O-N 3.46Å; Q532-S536 WeakPolarHBondContact O-CB 3.25Å; Q532-S536 PolarHBondContact O-N 2.93Å
533	A	88.3	Confident	84.7	Confident	20 Å²	20	54.5 Å²	54.5	17%	0.165	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-39.1	177.2	0	0	0	0	0	112	K353 L376 A529 W530 V531 Q537	K353-A533 HydrophobicContact CB-CB 4.47Å; K353-A533 HydrophobicContact CD-CB 3.7Å; L376-A533 HydrophobicContact CD2-CB 3.81Å; L376-A533 WeakPolarHBondContact CD2-O 3.12Å; A529-A533 WeakPolarHBondContact O-CB 3.43Å; W530-A533 PolarHBondContact O-N 3.44Å; V531-A533 VanDerWaalsContact C-N 3.33Å; V531-A533 PolarHBondContact O-N 3.29Å; A533-Q537 WeakPolarHBondContact O-CB 3.44Å; A533-Q537 PolarHBondContact O-N 2.73Å
534	I	91.3	Very high	83	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-43.1	176	-68.9	163.7	0	0	0	110.9	L376 L382 L402 V407 F507 I509 W530 V531 Q537 I538	L376-I534 HydrophobicContact CD2-CG1 4.45Å; L382-I534 HydrophobicContact CD1-CD1 3.69Å; L382-I534 HydrophobicContact CD1-CG1 3.83Å; L402-I534 HydrophobicContact CD1-CG2 4.29Å; L402-I534 HydrophobicContact CD2-CG2 4.24Å; V407-I534 HydrophobicContact CB-CG2 4.25Å; V407-I534 HydrophobicContact CG1-CG2 4.29Å; F507-I534 HydrophobicContact CE2-CD1 3.72Å; F507-I534 HydrophobicContact CZ-CD1 4.31Å; I509-I534 HydrophobicContact CD1-CD1 4.14Å; W530-I534 WeakPolarHBondContact O-CB 3.44Å; W530-I534 WeakPolarHBondContact O-CD1 3.39Å; W530-I534 VanDerWaalsContact O-CG1 3.26Å; W530-I534 WeakPolarHBondContact O-CG1 3.33Å; W530-I534 PolarHBondContact O-N 3.06Å; V531-I534 PolarHBondContact O-N 3.15Å; V531-I534 VanDerWaalsContact O-N 3.14Å; I534-Q537 PolarHBondContact O-N 3.18Å; I534-I538 HydrophobicContact CG2-CD1 3.87Å; I534-I538 WeakPolarHBondContact O-CB 3.49Å; I534-I538 WeakPolarHBondContact O-CD1 3.45Å; I534-I538 VanDerWaalsContact O-CG1 3.22Å; I534-I538 WeakPolarHBondContact O-CG1 3.38Å; I534-I538 PolarHBondContact O-N 3.08Å
535	E	89.6	Confident	81	Confident	92 Å²	92	52.9 Å²	52.9	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-44.5	175.8	-70.4	-179.8	157.6	0	0	111.7	V407 V531 Q537 I538 L539	V407-E535 HydrophobicContact CG1-CG 3.37Å; V531-E535 HydrophobicContact CG1-CG 4.35Å; V531-E535 WeakPolarHBondContact O-CG 3.25Å; V531-E535 PolarHBondContact O-N 2.77Å; E535-Q537 PolarHBondContact O-N 3.34Å; E535-I538 PolarHBondContact O-N 2.98Å; E535-L539 WeakPolarHBondContact O-CG 3.43Å; E535-L539 PolarHBondContact O-N 2.86Å
536	S	85.2	Confident	78.8	Confident	73 Å²	73	52.5 Å²	52.5	51%	0.51	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-46	174.1	-174.3	0	0	0	0	111.5	Q532 I538 L539 A540	Q532-S536 WeakPolarHBondContact O-CB 3.25Å; Q532-S536 PolarHBondContact O-N 2.93Å; S536-I538 PolarHBondContact O-N 2.74Å; S536-L539 PolarHBondContact O-N 2.88Å; S536-A540 WeakPolarHBondContact O-CB 3.45Å; S536-A540 PolarHBondContact O-N 2.88Å
537	Q	87.1	Confident	76.2	Confident	15 Å²	15	53.4 Å²	53.4	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-34.8	177.1	-174.9	58.1	40.9	0	0	112.5	L376 D378 L402 A533 I534 E535 S541	L376-Q537 HydrophobicContact CD1-CB 4.06Å; L376-Q537 HydrophobicContact CD1-CG 3.96Å; L376-Q537 HydrophobicContact CD2-CB 4.2Å; L376-Q537 HydrophobicContact CG-CB 4.43Å; L376-Q537 HydrophobicContact CG-CG 4.49Å; D378-Q537 PolarHBondContact O-NE2 3.47Å; L402-Q537 HydrophobicContact CD1-CB 4.38Å; L402-Q537 HydrophobicContact CD1-CG 4.18Å; A533-Q537 WeakPolarHBondContact O-CB 3.44Å; A533-Q537 PolarHBondContact O-N 2.73Å; I534-Q537 PolarHBondContact O-N 3.18Å; E535-Q537 PolarHBondContact O-N 3.34Å; Q537-S541 PolarHBondContact NE2-OG 3.5Å; Q537-S541 VanDerWaalsContact O-CB 3.25Å; Q537-S541 WeakPolarHBondContact O-CB 3.37Å; Q537-S541 PolarHBondContact O-N 3.15Å; Q537-S541 PolarHBondContact O-OG 2.99Å
538	I	85.4	Confident	73.6	Confident	21 Å²	21	57.6 Å²	57.6	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-48.2	171.8	-72	163.7	0	0	0	109.9	L402 I534 E535 S536 S541 L542	L402-I538 HydrophobicContact CB-CG1 3.84Å; I534-I538 HydrophobicContact CG2-CD1 3.87Å; I534-I538 WeakPolarHBondContact O-CB 3.49Å; I534-I538 WeakPolarHBondContact O-CD1 3.45Å; I534-I538 VanDerWaalsContact O-CG1 3.22Å; I534-I538 WeakPolarHBondContact O-CG1 3.38Å; I534-I538 PolarHBondContact O-N 3.08Å; E535-I538 PolarHBondContact O-N 2.98Å; S536-I538 PolarHBondContact O-N 2.74Å; I538-S541 PolarHBondContact O-N 3.39Å; I538-L542 HydrophobicContact CG2-CD1 3.97Å; I538-L542 VanDerWaalsContact O-CG 3.29Å; I538-L542 WeakPolarHBondContact O-CG 3.47Å; I538-L542 PolarHBondContact O-N 3.37Å
539	L	82	Confident	71.4	Confident	99 Å²	99	59.5 Å²	59.5	52%	0.518	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-45	178.2	-69.5	168.1	0	0	0	112.2	E535 S536 S541 L542 Q543	E535-L539 WeakPolarHBondContact O-CG 3.43Å; E535-L539 PolarHBondContact O-N 2.86Å; S536-L539 PolarHBondContact O-N 2.88Å; L539-S541 VanDerWaalsContact C-N 3.32Å; L539-S541 PolarHBondContact O-N 2.63Å; L539-L542 PolarHBondContact O-N 3.12Å; L539-Q543 WeakPolarHBondContact O-CB 3.4Å; L539-Q543 VanDerWaalsContact O-CG 3.31Å; L539-Q543 WeakPolarHBondContact O-CG 3.33Å; L539-Q543 PolarHBondContact O-N 3.47Å
540	A	77.3	Confident	68.8	Low	40 Å²	40	63.6 Å²	63.6	33%	0.331	36%	0.356	S	S	.	.	H	α-helix	trans	-64.8	-34.5	176.1	0	0	0	0	0	112.5	S536 S544	S536-A540 WeakPolarHBondContact O-CB 3.45Å; S536-A540 PolarHBondContact O-N 2.88Å; A540-S544 VanDerWaalsContact O-CB 3.31Å; A540-S544 WeakPolarHBondContact O-CB 3.31Å; A540-S544 PolarHBondContact O-N 3.3Å; A540-S544 PolarHBondContact O-OG 2.73Å
541	S	71.7	Confident	65.9	Low	5 Å²	5	73.6 Å²	73.6	4%	0.035	40%	0.4	C	S	.	.	H	α-helix	trans	-69.3	-37.5	174.5	-53.7	0	0	0	0	111.3	G380 Q537 I538 L539 S544 C545	G380-S541 WeakPolarHBondContact CA-OG 3.27Å; Q537-S541 PolarHBondContact NE2-OG 3.5Å; Q537-S541 VanDerWaalsContact O-CB 3.25Å; Q537-S541 WeakPolarHBondContact O-CB 3.37Å; Q537-S541 PolarHBondContact O-N 3.15Å; Q537-S541 PolarHBondContact O-OG 2.99Å; I538-S541 PolarHBondContact O-N 3.39Å; L539-S541 VanDerWaalsContact C-N 3.32Å; L539-S541 PolarHBondContact O-N 2.63Å; S541-S544 WeakPolarHBondContact CA-OG 3.46Å; S541-S544 PolarHBondContact O-OG 3.2Å; S541-C545 PolarHBondContact O-N 2.87Å; S541-C545 PolarHBondContact O-SG 3.45Å
542	L	69.7	Low	63.3	Low	91 Å²	91	75.2 Å²	75.2	48%	0.476	41%	0.412	S	S	.	.	H	α-helix	trans	-68.7	-40.7	173.9	-68.5	166.5	0	0	0	112.1	I538 L539 C545	I538-L542 HydrophobicContact CG2-CD1 3.97Å; I538-L542 VanDerWaalsContact O-CG 3.29Å; I538-L542 WeakPolarHBondContact O-CG 3.47Å; I538-L542 PolarHBondContact O-N 3.37Å; L539-L542 PolarHBondContact O-N 3.12Å; L542-C545 WeakPolarHBondContact O-CB 3.13Å; L542-C545 PolarHBondContact O-N 2.81Å
543	Q	62.9	Low	60.9	Low	118 Å²	118	76.9 Å²	76.9	55%	0.551	41%	0.412	S	S	*	.	H	α-helix	trans	-73.6	-30.9	178.3	-71.2	169.3	-5.7	0	0	113	L539 C545 E546 S547	L539-Q543 WeakPolarHBondContact O-CB 3.4Å; L539-Q543 VanDerWaalsContact O-CG 3.31Å; L539-Q543 WeakPolarHBondContact O-CG 3.33Å; L539-Q543 PolarHBondContact O-N 3.47Å; Q543-C545 VanDerWaalsContact C-N 3.31Å; Q543-C545 PolarHBondContact O-N 3.23Å; Q543-E546 WeakPolarHBondContact O-CA 3.27Å; Q543-E546 VanDerWaalsContact O-CB 3.27Å; Q543-E546 WeakPolarHBondContact O-CB 3.44Å; Q543-E546 PolarHBondContact O-N 2.88Å; Q543-S547 PolarHBondContact O-N 2.68Å
544	S	51.2	Low	58.2	Low	54 Å²	54	83.9 Å²	83.9	38%	0.378	45%	0.446	S	S	.	.	H	α-helix	trans	-74.5	-20.4	174.9	51.9	0	0	0	0	113.6	A540 S541 E546 S547 S548	A540-S544 VanDerWaalsContact O-CB 3.31Å; A540-S544 WeakPolarHBondContact O-CB 3.31Å; A540-S544 PolarHBondContact O-N 3.3Å; A540-S544 PolarHBondContact O-OG 2.73Å; S541-S544 WeakPolarHBondContact CA-OG 3.46Å; S541-S544 PolarHBondContact O-OG 3.2Å; S544-E546 PolarHBondContact O-N 3.38Å; S544-S547 WeakPolarHBondContact CA-OG 3.43Å; S544-S547 PolarHBondContact O-N 2.71Å; S544-S547 PolarHBondContact O-OG 2.88Å; S544-S548 PolarHBondContact O-N 3.06Å; S544-S548 VanDerWaalsContact O-N 3.15Å; S544-S548 PolarHBondContact O-OG 3.15Å
545	C	42.6	Very low	56.2	Low	74 Å²	74	86.4 Å²	86.4	50%	0.5	46%	0.461	S	S	.	.	H	α-helix	trans	-64.4	-22.5	162.6	-65.7	0	0	0	0	112.8	S541 L542 Q543	S541-C545 PolarHBondContact O-N 2.87Å; S541-C545 PolarHBondContact O-SG 3.45Å; L542-C545 WeakPolarHBondContact O-CB 3.13Å; L542-C545 PolarHBondContact O-N 2.81Å; Q543-C545 VanDerWaalsContact C-N 3.31Å; Q543-C545 PolarHBondContact O-N 3.23Å
546	E	39.7	Very low	54.6	Low	117 Å²	117	85.7 Å²	85.7	55%	0.547	47%	0.467	S	S	.	.	H	α-helix	trans	-83.8	-46.2	170.8	-50.1	179.5	127.1	0	0	111.1	Q543 S544 S548 K549	Q543-E546 WeakPolarHBondContact O-CA 3.27Å; Q543-E546 VanDerWaalsContact O-CB 3.27Å; Q543-E546 WeakPolarHBondContact O-CB 3.44Å; Q543-E546 PolarHBondContact O-N 2.88Å; S544-E546 PolarHBondContact O-N 3.38Å; E546-S548 PolarHBondContact O-N 2.94Å; E546-K549 VanDerWaalsContact O-CB 3.23Å; E546-K549 WeakPolarHBondContact O-CB 3.44Å; E546-K549 VanDerWaalsContact O-CG 3.31Å; E546-K549 WeakPolarHBondContact O-CG 3.31Å; E546-K549 PolarHBondContact O-N 3.17Å
547	S	35	Very low	53.3	Low	62 Å²	62	89.4 Å²	89.4	43%	0.434	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-24.7	-176.4	77.1	0	0	0	0	113.7	Q543 S544 K549 N550	Q543-S547 PolarHBondContact O-N 2.68Å; S544-S547 WeakPolarHBondContact CA-OG 3.43Å; S544-S547 PolarHBondContact O-N 2.71Å; S544-S547 PolarHBondContact O-OG 2.88Å; S547-K549 PolarHBondContact O-N 3.46Å; S547-K549 VanDerWaalsContact O-N 3.12Å; S547-N550 VanDerWaalsContact O-CB 3.26Å; S547-N550 WeakPolarHBondContact O-CB 3.31Å; S547-N550 PolarHBondContact O-N 2.95Å; S547-N550 PolarHBondContact O-ND2 2.94Å
548	S	34.9	Very low	52.4	Low	100 Å²	100	91.5 Å²	91.5	70%	0.699	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	171.2	-63.3	0	0	0	0	113.6	S544 E546	S544-S548 PolarHBondContact O-N 3.06Å; S544-S548 VanDerWaalsContact O-N 3.15Å; S544-S548 PolarHBondContact O-OG 3.15Å; E546-S548 PolarHBondContact O-N 2.94Å
549	K	40.7	Very low	51.7	Low	81 Å²	81	93 Å²	93	35%	0.352	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.7	175.9	-56.1	166.9	-174.9	167.1	0	113.3	E546 S547 K551 S552 D619	E546-K549 VanDerWaalsContact O-CB 3.23Å; E546-K549 WeakPolarHBondContact O-CB 3.44Å; E546-K549 VanDerWaalsContact O-CG 3.31Å; E546-K549 WeakPolarHBondContact O-CG 3.31Å; E546-K549 PolarHBondContact O-N 3.17Å; S547-K549 PolarHBondContact O-N 3.46Å; S547-K549 VanDerWaalsContact O-N 3.12Å; K549-K551 PolarHBondContact O-N 3.44Å; K549-S552 WeakPolarHBondContact O-CB 3.44Å; K549-S552 PolarHBondContact O-N 2.93Å; K549-S552 PolarHBondContact O-OG 2.6Å; K549-D619 IonicContact NZ-OD1 3.44Å; K549-D619 PolarHBondContact NZ-OD1 3.18Å; K549-D619 IonicContact NZ-OD2 2.66Å; K549-D619 PolarHBondContact NZ-OD2 3.06Å
550	N	35.9	Very low	51.5	Low	119 Å²	119	91.1 Å²	91.1	64%	0.636	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-59.7	-6.2	-169	-81.4	-33.3	0	0	0	116.8	S547 S552	S547-N550 VanDerWaalsContact O-CB 3.26Å; S547-N550 WeakPolarHBondContact O-CB 3.31Å; S547-N550 PolarHBondContact O-N 2.95Å; S547-N550 PolarHBondContact O-ND2 2.94Å; N550-S552 PolarHBondContact O-N 3.44Å
551	K	31	Very low	51.8	Low	213 Å²	213	95 Å²	95	93%	0.926	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-66.3	-11.9	166.5	-148.5	173.8	-172.5	178.8	0	113	K549	K549-K551 PolarHBondContact O-N 3.44Å
552	S	38.8	Very low	52.4	Low	48 Å²	48	95.9 Å²	95.9	34%	0.336	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-97.9	19.5	-173.7	78.1	0	0	0	0	115.4	K549 N550 L554 T555	K549-S552 WeakPolarHBondContact O-CB 3.44Å; K549-S552 PolarHBondContact O-N 2.93Å; K549-S552 PolarHBondContact O-OG 2.6Å; N550-S552 PolarHBondContact O-N 3.44Å; S552-L554 PolarHBondContact O-N 2.94Å; S552-T555 WeakPolarHBondContact CB-OG1 3.23Å; S552-T555 WeakPolarHBondContact O-CA 3.35Å; S552-T555 WeakPolarHBondContact O-CB 3.38Å; S552-T555 PolarHBondContact O-N 2.92Å; S552-T555 PolarHBondContact O-OG1 3.28Å
553	R	38.9	Very low	53.4	Low	172 Å²	172	92.5 Å²	92.5	65%	0.649	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-7.7	-175.3	-138.8	-179.1	-164.9	179.5	7.6	115.8
554	L	31.9	Very low	54.7	Low	168 Å²	168	91.1 Å²	91.1	88%	0.88	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-16.7	165.7	-76.2	167.7	0	0	0	113.4	S552	S552-L554 PolarHBondContact O-N 2.94Å
555	T	49.9	Very low	56.6	Low	52 Å²	52	91.4 Å²	91.4	32%	0.319	50%	0.496	S	S	.	.	H	α-helix	trans	-83.3	-25	-173.4	73.3	0	0	0	0	113.7	S552 Q557 S558 E559	S552-T555 WeakPolarHBondContact CB-OG1 3.23Å; S552-T555 WeakPolarHBondContact O-CA 3.35Å; S552-T555 WeakPolarHBondContact O-CB 3.38Å; S552-T555 PolarHBondContact O-N 2.92Å; S552-T555 PolarHBondContact O-OG1 3.28Å; T555-Q557 PolarHBondContact O-N 3.47Å; T555-Q557 VanDerWaalsContact O-N 3.15Å; T555-S558 VanDerWaalsContact CA-OG 3.3Å; T555-S558 WeakPolarHBondContact CA-OG 3.48Å; T555-S558 CarbonylContact O-C 3.57Å; T555-S558 WeakPolarHBondContact O-CA 3.35Å; T555-S558 PolarHBondContact O-N 3.13Å; T555-S558 PolarHBondContact O-OG 3.16Å; T555-E559 WeakPolarHBondContact O-CB 3.18Å; T555-E559 PolarHBondContact O-N 2.82Å
556	S	55.8	Low	59.1	Low	78 Å²	78	87.9 Å²	87.9	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-59.6	-33.5	-173.4	59.4	0	0	0	0	113.4	A560	S556-A560 WeakPolarHBondContact O-CB 3.24Å; S556-A560 PolarHBondContact O-N 2.86Å
557	Q	56.2	Low	61.7	Low	150 Å²	150	85.5 Å²	85.5	70%	0.701	46%	0.458	S	S	*	.	H	α-helix	trans	-74.4	-39.5	172.9	-165	176.6	17.4	0	0	112.2	T555 E559 M561	T555-Q557 PolarHBondContact O-N 3.47Å; T555-Q557 VanDerWaalsContact O-N 3.15Å; Q557-E559 VanDerWaalsContact C-N 3.35Å; Q557-M561 HydrophobicContact CG-CE 4.39Å; Q557-M561 WeakPolarHBondContact O-CG 3.37Å; Q557-M561 PolarHBondContact O-N 2.77Å
558	S	68.7	Low	64.5	Low	59 Å²	59	88.2 Å²	88.2	41%	0.413	47%	0.468	S	S	.	.	H	α-helix	trans	-70.7	-30.5	175.4	60.4	0	0	0	0	113.1	T555 M561 A562	T555-S558 VanDerWaalsContact CA-OG 3.3Å; T555-S558 WeakPolarHBondContact CA-OG 3.48Å; T555-S558 CarbonylContact O-C 3.57Å; T555-S558 WeakPolarHBondContact O-CA 3.35Å; T555-S558 PolarHBondContact O-N 3.13Å; T555-S558 PolarHBondContact O-OG 3.16Å; S558-M561 PolarHBondContact O-N 2.9Å; S558-A562 WeakPolarHBondContact O-CB 3.47Å; S558-A562 PolarHBondContact O-N 2.92Å
559	E	70.8	Confident	67.4	Low	54 Å²	54	85.8 Å²	85.8	25%	0.252	45%	0.446	S	S	.	.	H	α-helix	trans	-71.9	-46.1	176.6	-176.6	172.8	-174.6	0	0	109.6	T555 Q557 M561 A562 L563 I625	T555-E559 WeakPolarHBondContact O-CB 3.18Å; T555-E559 PolarHBondContact O-N 2.82Å; Q557-E559 VanDerWaalsContact C-N 3.35Å; E559-M561 VanDerWaalsContact C-N 3.31Å; E559-M561 PolarHBondContact O-N 3.22Å; E559-A562 PolarHBondContact O-N 2.66Å; E559-A562 VanDerWaalsContact O-N 3.12Å; E559-L563 HydrophobicContact CG-CD1 4.3Å; E559-L563 WeakPolarHBondContact O-CB 3.25Å; E559-L563 VanDerWaalsContact O-CG 3.26Å; E559-L563 WeakPolarHBondContact O-CG 3.42Å; E559-L563 PolarHBondContact O-N 2.64Å; E559-I625 HydrophobicContact CG-CD1 4.33Å
560	A	78.6	Confident	70	Confident	59 Å²	59	90.2 Å²	90.2	49%	0.488	46%	0.461	S	S	.	.	H	α-helix	trans	-57.1	-42.8	169.6	0	0	0	0	0	112.3	S556 Q564	S556-A560 WeakPolarHBondContact O-CB 3.24Å; S556-A560 PolarHBondContact O-N 2.86Å; A560-Q564 WeakPolarHBondContact O-CB 3.45Å; A560-Q564 PolarHBondContact O-N 2.72Å
561	M	83.4	Confident	72.8	Confident	120 Å²	120	86.1 Å²	86.1	59%	0.591	45%	0.446	S	S	*	.	H	α-helix	trans	-66.8	-36.3	174.5	-71.6	-172.9	-63.3	0	0	112.9	Q557 S558 E559 Q564 S565	Q557-M561 HydrophobicContact CG-CE 4.39Å; Q557-M561 WeakPolarHBondContact O-CG 3.37Å; Q557-M561 PolarHBondContact O-N 2.77Å; S558-M561 PolarHBondContact O-N 2.9Å; E559-M561 VanDerWaalsContact C-N 3.31Å; E559-M561 PolarHBondContact O-N 3.22Å; M561-Q564 PolarHBondContact O-N 3.44Å; M561-S565 PolarHBondContact O-N 2.77Å
562	A	84.5	Confident	76	Confident	25 Å²	25	76.1 Å²	76.1	21%	0.207	40%	0.403	C	S	.	.	H	α-helix	trans	-75.8	-37.3	179.2	0	0	0	0	0	112.7	S558 E559 Q564 S565 I566 I625	S558-A562 WeakPolarHBondContact O-CB 3.47Å; S558-A562 PolarHBondContact O-N 2.92Å; E559-A562 PolarHBondContact O-N 2.66Å; E559-A562 VanDerWaalsContact O-N 3.12Å; A562-Q564 VanDerWaalsContact C-N 3.26Å; A562-Q564 PolarHBondContact O-N 2.82Å; A562-S565 CarbonylContact O-C 3.41Å; A562-S565 WeakPolarHBondContact O-CA 3.42Å; A562-S565 VanDerWaalsContact O-CB 3.24Å; A562-S565 WeakPolarHBondContact O-CB 3.21Å; A562-S565 PolarHBondContact O-N 3.07Å; A562-I566 WeakPolarHBondContact O-CG1 3.45Å; A562-I566 PolarHBondContact O-N 2.93Å; A562-I625 HydrophobicContact CB-CD1 4.2Å; A562-I625 HydrophobicContact CB-CG2 3.67Å
563	L	89.8	Confident	78.7	Confident	19 Å²	19	76.6 Å²	76.6	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-36.2	168	-69	174	0	0	0	111.1	E559 I566 R567 W620	E559-L563 HydrophobicContact CG-CD1 4.3Å; E559-L563 WeakPolarHBondContact O-CB 3.25Å; E559-L563 VanDerWaalsContact O-CG 3.26Å; E559-L563 WeakPolarHBondContact O-CG 3.42Å; E559-L563 PolarHBondContact O-N 2.64Å; L563-I566 HydrophobicContact CD2-CD1 4.19Å; L563-I566 PolarHBondContact O-N 3Å; L563-R567 WeakPolarHBondContact O-CG 3.39Å; L563-R567 PolarHBondContact O-N 3.36Å; L563-W620 HydrophobicContact CD2-CB 4.08Å; L563-W620 HydrophobicContact CD2-CD2 3.91Å; L563-W620 HydrophobicContact CD2-CG 3.61Å
564	Q	89.5	Confident	81.5	Confident	89 Å²	89	71.8 Å²	71.8	42%	0.416	39%	0.391	S	S	.	.	H	α-helix	trans	-68.3	-35.6	170	-167.1	59.4	44	0	0	112.3	A560 M561 A562 I566 R567 N568	A560-Q564 WeakPolarHBondContact O-CB 3.45Å; A560-Q564 PolarHBondContact O-N 2.72Å; M561-Q564 PolarHBondContact O-N 3.44Å; A562-Q564 VanDerWaalsContact C-N 3.26Å; A562-Q564 PolarHBondContact O-N 2.82Å; Q564-I566 VanDerWaalsContact C-N 3.33Å; Q564-I566 PolarHBondContact O-N 3.3Å; Q564-R567 PolarHBondContact O-N 3.3Å; Q564-N568 PolarHBondContact NE2-OD1 3.29Å; Q564-N568 WeakPolarHBondContact O-CB 3.26Å; Q564-N568 PolarHBondContact O-N 2.81Å; Q564-N568 PolarHBondContact O-OD1 3.14Å
565	S	91.4	Very high	84.7	Confident	61 Å²	61	63.8 Å²	63.8	43%	0.427	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-41.8	171.7	-162.5	0	0	0	0	111.7	M561 A562 N568 M569	M561-S565 PolarHBondContact O-N 2.77Å; A562-S565 CarbonylContact O-C 3.41Å; A562-S565 WeakPolarHBondContact O-CA 3.42Å; A562-S565 VanDerWaalsContact O-CB 3.24Å; A562-S565 WeakPolarHBondContact O-CB 3.21Å; A562-S565 PolarHBondContact O-N 3.07Å; S565-N568 PolarHBondContact O-N 3.36Å; S565-M569 PolarHBondContact O-N 3.25Å
566	I	95.4	Very high	87	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-45.6	174	-64.8	164.7	0	0	0	110.7	A562 L563 Q564 N568 M569 N572 L593 L615 I625 M628 S629	A562-I566 WeakPolarHBondContact O-CG1 3.45Å; A562-I566 PolarHBondContact O-N 2.93Å; L563-I566 HydrophobicContact CD2-CD1 4.19Å; L563-I566 PolarHBondContact O-N 3Å; Q564-I566 VanDerWaalsContact C-N 3.33Å; Q564-I566 PolarHBondContact O-N 3.3Å; I566-N568 PolarHBondContact O-N 2.99Å; I566-M569 WeakPolarHBondContact O-CB 3.42Å; I566-M569 PolarHBondContact O-N 3.15Å; I566-N572 WeakPolarHBondContact O-CB 3.37Å; I566-N572 PolarHBondContact O-ND2 2.98Å; I566-L593 HydrophobicContact CG2-CD1 4.22Å; I566-L593 HydrophobicContact CG2-CD2 4.05Å; I566-L593 HydrophobicContact CG2-CG 4.41Å; I566-L615 HydrophobicContact CG2-CD2 4.43Å; I566-I625 HydrophobicContact CD1-CB 4.49Å; I566-I625 HydrophobicContact CD1-CG1 4.39Å; I566-I625 HydrophobicContact CD1-CG2 4.37Å; I566-M628 HydrophobicContact CD1-CB 3.67Å; I566-M628 HydrophobicContact CD1-CG 4.45Å; I566-M628 HydrophobicContact CG1-CB 3.81Å; I566-M628 HydrophobicContact CG2-CB 3.89Å; I566-M628 HydrophobicContact CG2-CE 4.38Å; I566-S629 WeakPolarHBondContact CG1-OG 3.41Å
567	R	94.9	Very high	89	Confident	66 Å²	66	57.7 Å²	57.7	25%	0.249	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-33.9	175.7	-72.5	171.4	168.1	119.4	-0.5	112.9	L563 Q564 M569 L615 D616	L563-R567 WeakPolarHBondContact O-CG 3.39Å; L563-R567 PolarHBondContact O-N 3.36Å; Q564-R567 PolarHBondContact O-N 3.3Å; R567-M569 VanDerWaalsContact C-N 3.34Å; R567-L615 HydrophobicContact CG-CD2 3.87Å; R567-D616 IonicContact CZ-OD1 2.69Å; R567-D616 IonicContact NH1-OD1 3.91Å; R567-D616 VanDerWaalsContact NH2-CG 3.31Å; R567-D616 IonicContact NH2-OD1 2.69Å; R567-D616 PolarHBondContact NH2-OD1 2.96Å; R567-D616 IonicContact NH2-OD2 3.25Å; R567-D616 PolarHBondContact NH2-OD2 3.43Å
568	N	94	Very high	90.9	Very high	120 Å²	120	50.6 Å²	50.6	64%	0.642	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.4	-179.3	-66.6	-2.2	0	0	0	114.1	Q564 S565 I566	Q564-N568 PolarHBondContact NE2-OD1 3.29Å; Q564-N568 WeakPolarHBondContact O-CB 3.26Å; Q564-N568 PolarHBondContact O-N 2.81Å; Q564-N568 PolarHBondContact O-OD1 3.14Å; S565-N568 PolarHBondContact O-N 3.36Å; I566-N568 PolarHBondContact O-N 2.99Å
569	M	95	Very high	92.3	Very high	49 Å²	49	51.5 Å²	51.5	24%	0.241	27%	0.273	C	S	.	.	S	Bend	trans	-63.1	157.7	175.1	-76	-67	-75.1	0	0	112	S565 I566 R567 G571 N572 S629	S565-M569 PolarHBondContact O-N 3.25Å; I566-M569 WeakPolarHBondContact O-CB 3.42Å; I566-M569 PolarHBondContact O-N 3.15Å; R567-M569 VanDerWaalsContact C-N 3.34Å; M569-G571 PolarHBondContact O-N 2.76Å; M569-N572 HydrophobicContact CB-CB 4.19Å; M569-N572 WeakPolarHBondContact O-CB 3.37Å; M569-N572 PolarHBondContact O-N 3.46Å; M569-S629 VanDerWaalsContact CE-O 3.24Å; M569-S629 WeakPolarHBondContact CE-O 3.4Å; M569-S629 VanDerWaalsContact SD-O 3.36Å
570	R	95.4	Very high	93.5	Very high	174 Å²	174	50.5 Å²	50.5	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	130.4	-177.3	-64	-168.3	-175.4	-179.4	-0	112.3	N572 N633 E634	R570-N572 PolarHBondContact O-N 3.13Å; R570-N633 PolarHBondContact O-N 3.35Å; R570-E634 HydrophobicContact CB-CB 3.68Å; R570-E634 HydrophobicContact CB-CG 4.3Å; R570-E634 WeakPolarHBondContact CB-OE2 3.4Å; R570-E634 VanDerWaalsContact CD-CD 3.41Å; R570-E634 WeakPolarHBondContact CD-OE1 3.19Å; R570-E634 WeakPolarHBondContact CD-OE2 3.44Å; R570-E634 IonicContact CZ-OE1 3.79Å; R570-E634 IonicContact NE-OE1 2.78Å; R570-E634 IonicContact NH1-OE1 3.05Å; R570-E634 PolarHBondContact NH1-OE1 2.97Å; R570-E634 PolarHBondContact O-N 3Å
571	G	94.9	Very high	94.4	Very high	32 Å²	32	54 Å²	54	33%	0.33	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-12.9	-173.2	0	0	0	0	0	115.4	M569 S573 H574 N633	M569-G571 PolarHBondContact O-N 2.76Å; G571-S573 PolarHBondContact O-N 3.44Å; G571-S573 VanDerWaalsContact O-N 3.11Å; G571-H574 PolarHBondContact O-N 3.38Å; G571-H574 VanDerWaalsContact O-N 3.12Å; G571-N633 PolarHBondContact O-ND2 3.34Å
572	N	97.6	Very high	94.9	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.1	-174.3	-79.7	12.2	0	0	0	114.4	I566 M569 R570 H574 P583 L593 G632 N633	I566-N572 WeakPolarHBondContact O-CB 3.37Å; I566-N572 PolarHBondContact O-ND2 2.98Å; M569-N572 HydrophobicContact CB-CB 4.19Å; M569-N572 WeakPolarHBondContact O-CB 3.37Å; M569-N572 PolarHBondContact O-N 3.46Å; R570-N572 PolarHBondContact O-N 3.13Å; N572-H574 PolarHBondContact O-N 3.25Å; N572-P583 WeakPolarHBondContact O-CD 3.18Å; N572-P583 VanDerWaalsContact O-CG 3.24Å; N572-P583 WeakPolarHBondContact O-CG 3.3Å; N572-L593 HydrophobicContact CB-CD1 3.74Å; N572-L593 HydrophobicContact CB-CG 4.23Å; N572-G632 VanDerWaalsContact OD1-CA 3.29Å; N572-G632 WeakPolarHBondContact OD1-CA 3.15Å; N572-N633 WeakPolarHBondContact OD1-CB 3.47Å; N572-N633 PolarHBondContact OD1-N 3.4Å; N572-N633 PolarHBondContact OD1-OD1 2.96Å
573	S	96.7	Very high	95.5	Very high	59 Å²	59	53.3 Å²	53.3	41%	0.413	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.6	168.3	54	0	0	0	0	113.7	G571 Q581 N582	G571-S573 PolarHBondContact O-N 3.44Å; G571-S573 VanDerWaalsContact O-N 3.11Å; S573-Q581 CarbonylContact O-C 3.52Å; S573-Q581 WeakPolarHBondContact O-CA 3.38Å; S573-N582 PolarHBondContact O-N 3.11Å
574	H	97.8	Very high	95.7	Very high	71 Å²	71	55.1 Å²	55.1	33%	0.329	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-133.6	145.3	-177	-64.1	72.4	0	0	0	110.8	G571 N572 V576 E579 T580 N633	G571-H574 PolarHBondContact O-N 3.38Å; G571-H574 VanDerWaalsContact O-N 3.12Å; N572-H574 PolarHBondContact O-N 3.25Å; H574-V576 PolarHBondContact O-N 3.04Å; H574-E579 WeakPolarHBondContact CB-OE2 3.39Å; H574-E579 PolarHBondContact CD2-O 3.23Å; H574-T580 CarbonylContact C-O 3.37Å; H574-N633 PolarHBondContact O-ND2 3.09Å
575	C	98.3	Very high	96.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.			trans	-60.1	126.8	-178.7	176.5	0	0	0	0	111.5	D577 C578 E579 T580 P583 M594 C595	C575-D577 PolarHBondContact O-N 3.01Å; C575-C578 PolarHBondContact O-N 3.31Å; C575-C578 PolarHBondContact SG-SG 3.19Å; C575-E579 PolarHBondContact O-N 3.36Å; C575-T580 WeakPolarHBondContact CB-O 3.43Å; C575-T580 PolarHBondContact N-O 3.47Å; C575-P583 HydrophobicContact CB-CB 4.43Å; C575-M594 VanDerWaalsContact SG-CA 3.57Å; C575-C595 HydrophobicContact CB-CB 4.15Å; C575-C595 PolarHBondContact SG-N 3.38Å
576	V	98.1	Very high	96.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-26.3	-175.8	70.1	0	0	0	0	114.3	H574 A592 L593 M594 N633 A636 N637 K649 K666	H574-V576 PolarHBondContact O-N 3.04Å; V576-A592 HydrophobicContact CB-CB 4.12Å; V576-A592 HydrophobicContact CG1-CB 4.09Å; V576-A592 HydrophobicContact CG2-CB 3.86Å; V576-L593 WeakPolarHBondContact CB-O 3.41Å; V576-L593 WeakPolarHBondContact CG1-O 3.32Å; V576-L593 PolarHBondContact N-O 3.5Å; V576-M594 HydrophobicContact CG1-CB 4.21Å; V576-M594 HydrophobicContact CG1-CE 4.33Å; V576-N633 HydrophobicContact CB-CB 4.28Å; V576-N633 HydrophobicContact CG2-CB 4.17Å; V576-N633 PolarHBondContact N-ND2 3.17Å; V576-A636 HydrophobicContact CG2-CB 4.47Å; V576-N637 WeakPolarHBondContact CG2-OD1 3.49Å; V576-N637 PolarHBondContact O-ND2 3.5Å; V576-N637 PolarHBondContact O-OD1 3.11Å; V576-K649 WeakPolarHBondContact O-CE 3.29Å; V576-K649 PolarHBondContact O-NZ 2.96Å; V576-K666 PolarHBondContact O-NZ 3.43Å; V576-K666 VanDerWaalsContact O-NZ 3.13Å
577	D	98.3	Very high	96.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-24	-175.5	-52.7	-56.2	0	0	0	115.5	C575 H602 K649 P650 I663 K666 Y667	C575-D577 PolarHBondContact O-N 3.01Å; D577-H602 IonicContact OD2-CD2 3.89Å; D577-H602 IonicContact OD2-NE2 3.67Å; D577-H602 PolarHBondContact OD2-NE2 2.8Å; D577-K649 WeakPolarHBondContact O-CE 3.44Å; D577-P650 WeakPolarHBondContact O-CG 3.25Å; D577-I663 HydrophobicContact CB-CD1 4.07Å; D577-I663 HydrophobicContact CB-CG1 3.87Å; D577-K666 IonicContact OD1-NZ 3.82Å; D577-K666 PolarHBondContact OD1-NZ 2.93Å; D577-Y667 WeakPolarHBondContact OD1-CE2 3.43Å; D577-Y667 PolarHBondContact OD1-OH 3.04Å
578	C	97	Very high	96.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.7	13.1	-170.2	71	0	0	0	0	115.7	C575 T580 C595 C598 P650 S651 V652 K659	C575-C578 PolarHBondContact O-N 3.31Å; C575-C578 PolarHBondContact SG-SG 3.19Å; C578-T580 PolarHBondContact O-N 2.85Å; C578-T580 PolarHBondContact SG-OG1 3.05Å; C578-C595 VanDerWaalsContact SG-SG 3.67Å; C578-C598 PolarHBondContact SG-SG 3.28Å; C578-P650 VanDerWaalsContact CA-O 3.31Å; C578-P650 WeakPolarHBondContact CA-O 3.29Å; C578-P650 HydrophobicContact CB-CG 4.16Å; C578-S651 CarbonylContact O-C 3.57Å; C578-V652 PolarHBondContact O-N 3.37Å; C578-K659 HydrophobicContact CB-CG 4.33Å
579	E	96.4	Very high	96.7	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	21%	0.209	S	C	.	.			trans	58.7	11.5	175.4	-49.3	-53.8	148.9	0	0	116.4	H574 C575 Q581 K649	H574-E579 WeakPolarHBondContact CB-OE2 3.39Å; H574-E579 PolarHBondContact CD2-O 3.23Å; C575-E579 PolarHBondContact O-N 3.36Å; E579-Q581 PolarHBondContact O-N 3.29Å; E579-K649 WeakPolarHBondContact OE1-CE 3.31Å; E579-K649 IonicContact OE1-NZ 3.94Å; E579-K649 PolarHBondContact OE1-NZ 2.86Å
580	T	97.6	Very high	96.8	Very high	32 Å²	32	39.1 Å²	39.1	20%	0.196	20%	0.198	C	C	.	.			trans	-58.8	122.1	169.9	-57.4	0	0	0	0	110.7	H574 C575 C578 C595 V652	H574-T580 CarbonylContact C-O 3.37Å; C575-T580 WeakPolarHBondContact CB-O 3.43Å; C575-T580 PolarHBondContact N-O 3.47Å; C578-T580 PolarHBondContact O-N 2.85Å; C578-T580 PolarHBondContact SG-OG1 3.05Å; T580-C595 HydrophobicContact CG2-CB 3.78Å; T580-V652 HydrophobicContact CG2-CG1 4.43Å
581	Q	97.1	Very high	96.9	Very high	134 Å²	134	30.8 Å²	30.8	63%	0.626	17%	0.167	S	C	*	.	B	Isolated β-bridge	trans	-62	154	-176.9	-68.3	174.9	44.3	0	0	113.5	S573 E579	S573-Q581 CarbonylContact O-C 3.52Å; S573-Q581 WeakPolarHBondContact O-CA 3.38Å; E579-Q581 PolarHBondContact O-N 3.29Å
582	N	93.7	Very high	97.1	Very high	126 Å²	126	29.3 Å²	29.3	67%	0.674	15%	0.151	S	C	*	.	S	Bend	trans	52.2	53.2	176	-57.5	-57.3	0	0	0	114.5	S573 N584	S573-N582 PolarHBondContact O-N 3.11Å; N582-N584 PolarHBondContact O-N 3.14Å
583	P	96.9	Very high	97.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.019	15%	0.15	C	C	.	.			trans	-62.2	125.9	178.3	29.6	-37.7	0	0	0	112	N572 C575 L593 M594	N572-P583 WeakPolarHBondContact O-CD 3.18Å; N572-P583 VanDerWaalsContact O-CG 3.24Å; N572-P583 WeakPolarHBondContact O-CG 3.3Å; C575-P583 HydrophobicContact CB-CB 4.43Å; P583-L593 HydrophobicContact CB-CB 3.89Å; P583-L593 HydrophobicContact CG-CB 3.67Å; P583-L593 HydrophobicContact CG-CD1 4.4Å; P583-M594 VanDerWaalsContact CB-O 3.29Å; P583-M594 WeakPolarHBondContact CB-O 3.42Å
584	N	94.8	Very high	97.2	Very high	58 Å²	58	26.3 Å²	26.3	31%	0.31	13%	0.131	S	C	.	.			trans	-121	20.6	-179.6	62.7	-21	0	0	0	114	N582 L615 D616	N582-N584 PolarHBondContact O-N 3.14Å; N584-L615 HydrophobicContact CB-CB 4.48Å; N584-L615 PolarHBondContact O-N 2.88Å; N584-D616 WeakPolarHBondContact CB-OD2 3.25Å; N584-D616 PolarHBondContact ND2-OD2 3.38Å
585	W	98	Very high	97.2	Very high	30 Å²	30	23.4 Å²	23.4	11%	0.114	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	157.9	160.5	-65.8	79.7	0	0	0	109.5	L593 M594 I596 V612 R613 S614 L617	W585-L593 CarbonylContact O-C 3.51Å; W585-L593 VanDerWaalsContact O-CA 3.25Å; W585-L593 WeakPolarHBondContact O-CA 3.37Å; W585-M594 HydrophobicContact CB-CG 3.9Å; W585-M594 WeakPolarHBondContact CB-O 3.17Å; W585-M594 PolarHBondContact N-O 3.18Å; W585-M594 PolarHBondContact O-N 3.49Å; W585-M594 VanDerWaalsContact O-O 3.13Å; W585-I596 VanDerWaalsContact CD1-CA 3.47Å; W585-V612 HydrophobicContact CE3-CG1 3.98Å; W585-R613 CarbonylContact C-O 3.55Å; W585-R613 WeakPolarHBondContact CA-O 3.43Å; W585-S614 VanDerWaalsContact CZ3-CB 3.47Å; W585-L617 HydrophobicContact CH2-CD1 4.2Å; W585-L617 HydrophobicContact CZ2-CD1 4.16Å
586	A	98.1	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.5	-178	0	0	0	0	0	111.4	A592 L593 V612 R613 L615 W620 M628	A586-A592 CarbonylContact C-O 3.58Å; A586-A592 VanDerWaalsContact CA-O 3.25Å; A586-A592 WeakPolarHBondContact CA-O 3.29Å; A586-L593 HydrophobicContact CB-CD2 3.72Å; A586-V612 CarbonylContact O-C 3.52Å; A586-V612 VanDerWaalsContact O-CA 3.27Å; A586-V612 WeakPolarHBondContact O-CA 3.41Å; A586-R613 PolarHBondContact N-O 3.44Å; A586-R613 PolarHBondContact O-N 3.34Å; A586-L615 HydrophobicContact CB-CD1 3.8Å; A586-W620 HydrophobicContact CB-CH2 3.81Å; A586-W620 HydrophobicContact CB-CZ2 4.22Å; A586-M628 HydrophobicContact CB-CE 3.76Å; A586-M628 HydrophobicContact CB-SD 4.28Å
587	S	98.1	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.9	158.4	-176.9	0	0	0	0	110	N589 L590 G591 A592 S610 R611	S587-N589 PolarHBondContact O-N 3.33Å; S587-L590 PolarHBondContact O-N 2.83Å; S587-G591 PolarHBondContact O-N 3.13Å; S587-A592 PolarHBondContact N-O 3.17Å; S587-A592 PolarHBondContact O-N 3.5Å; S587-S610 WeakPolarHBondContact CB-OG 3.36Å; S587-S610 PolarHBondContact OG-OG 2.84Å; S587-R611 PolarHBondContact OG-N 3.14Å
588	L	96.6	Very high	97.1	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.042	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59.3	-48.4	-170.3	-62.2	173.6	0	0	0	112.3	L590 G591 R611 R613 W620 L624 M628 W741	L588-L590 PolarHBondContact O-N 3.03Å; L588-G591 PolarHBondContact O-N 3.18Å; L588-R611 HydrophobicContact CB-CB 4.16Å; L588-R611 HydrophobicContact CD1-CB 4.42Å; L588-R611 WeakPolarHBondContact CG-O 3.31Å; L588-R611 PolarHBondContact N-O 3Å; L588-R613 HydrophobicContact CD1-CG 3.78Å; L588-R613 HydrophobicContact CD2-CB 4.5Å; L588-R613 HydrophobicContact CD2-CG 4.18Å; L588-R613 HydrophobicContact CG-CG 4Å; L588-W620 HydrophobicContact CD2-CE3 4.48Å; L588-W620 HydrophobicContact CD2-CH2 3.51Å; L588-W620 HydrophobicContact CD2-CZ3 3.44Å; L588-W620 VanDerWaalsContact CD2-CZ3 3.44Å; L588-L624 HydrophobicContact CD1-CD1 3.91Å; L588-L624 HydrophobicContact CD1-CD2 4.3Å; L588-L624 HydrophobicContact CD2-CB 4.24Å; L588-L624 HydrophobicContact CD2-CD1 4.03Å; L588-M628 HydrophobicContact CD2-CG 4.5Å; L588-M628 HydrophobicContact CD2-SD 4.47Å; L588-W741 VanDerWaalsContact C-CZ3 3.45Å; L588-W741 HydrophobicContact CB-CH2 3.64Å; L588-W741 HydrophobicContact CB-CZ2 4.23Å; L588-W741 HydrophobicContact CB-CZ3 3.86Å; L588-W741 HydrophobicContact CD1-CZ2 4.47Å; L588-W741 VanDerWaalsContact O-CZ3 3.29Å; L588-W741 WeakPolarHBondContact O-CZ3 3.48Å
589	N	95	Very high	97.1	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-76.9	-6.7	-177.1	68.6	-80.5	0	0	0	114.4	S587 L609 S610 R611 W741 Y742	S587-N589 PolarHBondContact O-N 3.33Å; N589-L609 PolarHBondContact ND2-O 2.96Å; N589-S610 WeakPolarHBondContact OD1-CA 3.3Å; N589-R611 WeakPolarHBondContact OD1-CB 3.31Å; N589-R611 WeakPolarHBondContact OD1-CG 3.29Å; N589-R611 PolarHBondContact OD1-N 3.39Å; N589-W741 HydrophobicContact CB-CB 4.27Å; N589-W741 HydrophobicContact CB-CD2 4.28Å; N589-W741 HydrophobicContact CB-CE3 3.69Å; N589-W741 HydrophobicContact CB-CZ3 4.42Å; N589-Y742 HydrophobicContact CB-CE2 4.39Å; N589-Y742 PolarHBondContact O-OH 2.87Å
590	L	97.4	Very high	97.1	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-105	-10.2	173	-57	174.5	0	0	0	111.7	S587 L588 A592 W640 Y667	S587-L590 PolarHBondContact O-N 2.83Å; L588-L590 PolarHBondContact O-N 3.03Å; L590-A592 HydrophobicContact CB-CB 4.37Å; L590-A592 PolarHBondContact O-N 3.17Å; L590-W640 HydrophobicContact CD2-CH2 4.47Å; L590-W640 HydrophobicContact CD2-CZ2 3.7Å; L590-Y667 HydrophobicContact CD1-CD1 3.82Å; L590-Y667 HydrophobicContact CD1-CE1 3.49Å; L590-Y667 VanDerWaalsContact CD1-CE1 3.49Å; L590-Y667 HydrophobicContact CD1-CE2 4.45Å; L590-Y667 HydrophobicContact CD1-CG 4.43Å; L590-Y667 HydrophobicContact CD2-CD1 4.08Å; L590-Y667 HydrophobicContact CD2-CE1 3.99Å; L590-Y667 HydrophobicContact CG-CE1 4.29Å
591	G	97.1	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	18.4	-179.6	0	0	0	0	0	115.3	S587 L588 M628 G632	S587-G591 PolarHBondContact O-N 3.13Å; L588-G591 PolarHBondContact O-N 3.18Å; G591-M628 VanDerWaalsContact C-CE 3.45Å; G591-G632 WeakPolarHBondContact O-CA 3.48Å; G591-G632 PolarHBondContact O-N 2.88Å
592	A	98.2	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.4	-162.5	0	0	0	0	0	113.8	V576 A586 S587 L590 N633 A636	V576-A592 HydrophobicContact CB-CB 4.12Å; V576-A592 HydrophobicContact CG1-CB 4.09Å; V576-A592 HydrophobicContact CG2-CB 3.86Å; A586-A592 CarbonylContact C-O 3.58Å; A586-A592 VanDerWaalsContact CA-O 3.25Å; A586-A592 WeakPolarHBondContact CA-O 3.29Å; S587-A592 PolarHBondContact N-O 3.17Å; S587-A592 PolarHBondContact O-N 3.5Å; L590-A592 HydrophobicContact CB-CB 4.37Å; L590-A592 PolarHBondContact O-N 3.17Å; A592-N633 VanDerWaalsContact CA-OD1 3.23Å; A592-N633 WeakPolarHBondContact CA-OD1 3.25Å; A592-N633 WeakPolarHBondContact CB-OD1 3.34Å; A592-A636 HydrophobicContact CB-CB 3.89Å
593	L	98.4	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.8	174.7	-58.5	-168.8	0	0	0	112.9	I566 N572 V576 P583 W585 A586 L615 M628 N633	I566-L593 HydrophobicContact CG2-CD1 4.22Å; I566-L593 HydrophobicContact CG2-CD2 4.05Å; I566-L593 HydrophobicContact CG2-CG 4.41Å; N572-L593 HydrophobicContact CB-CD1 3.74Å; N572-L593 HydrophobicContact CB-CG 4.23Å; V576-L593 WeakPolarHBondContact CB-O 3.41Å; V576-L593 WeakPolarHBondContact CG1-O 3.32Å; V576-L593 PolarHBondContact N-O 3.5Å; P583-L593 HydrophobicContact CB-CB 3.89Å; P583-L593 HydrophobicContact CG-CB 3.67Å; P583-L593 HydrophobicContact CG-CD1 4.4Å; W585-L593 CarbonylContact O-C 3.51Å; W585-L593 VanDerWaalsContact O-CA 3.25Å; W585-L593 WeakPolarHBondContact O-CA 3.37Å; A586-L593 HydrophobicContact CB-CD2 3.72Å; L593-L615 HydrophobicContact CD1-CD2 4.04Å; L593-L615 HydrophobicContact CD2-CD1 3.59Å; L593-L615 HydrophobicContact CD2-CD2 4.06Å; L593-L615 HydrophobicContact CD2-CG 4.47Å; L593-M628 HydrophobicContact CD2-CE 3.61Å; L593-M628 HydrophobicContact CG-CE 4.43Å; L593-N633 PolarHBondContact N-OD1 3.44Å; L593-N633 PolarHBondContact O-ND2 3.3Å; L593-N633 PolarHBondContact O-OD1 3.4Å
594	M	98.3	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.6	-178	58.1	-168.1	54.7	0	0	111.7	C575 V576 P583 W585 C598 H602	C575-M594 VanDerWaalsContact SG-CA 3.57Å; V576-M594 HydrophobicContact CG1-CB 4.21Å; V576-M594 HydrophobicContact CG1-CE 4.33Å; P583-M594 VanDerWaalsContact CB-O 3.29Å; P583-M594 WeakPolarHBondContact CB-O 3.42Å; W585-M594 HydrophobicContact CB-CG 3.9Å; W585-M594 WeakPolarHBondContact CB-O 3.17Å; W585-M594 PolarHBondContact N-O 3.18Å; W585-M594 PolarHBondContact O-N 3.49Å; W585-M594 VanDerWaalsContact O-O 3.13Å; M594-C598 HydrophobicContact CB-CB 4.09Å; M594-H602 HydrophobicContact CE-CB 4.38Å; M594-H602 HydrophobicContact SD-CB 3.88Å
595	C	97.9	Very high	97.2	Very high	10 Å²	10	23.2 Å²	23.2	7%	0.068	12%	0.115	C	C	.	.			trans	-75.5	167.5	172.5	71.6	0	0	0	0	111.2	C575 C578 T580 E597 C598 S599	C575-C595 HydrophobicContact CB-CB 4.15Å; C575-C595 PolarHBondContact SG-N 3.38Å; C578-C595 VanDerWaalsContact SG-SG 3.67Å; T580-C595 HydrophobicContact CG2-CB 3.78Å; C595-E597 VanDerWaalsContact C-N 3.27Å; C595-E597 PolarHBondContact O-N 3.4Å; C595-C598 PolarHBondContact O-N 2.95Å; C595-S599 WeakPolarHBondContact O-CB 3.45Å; C595-S599 PolarHBondContact O-N 3.49Å
596	I	96	Very high	96.9	Very high	117 Å²	117	23 Å²	23	60%	0.6	12%	0.121	S	C	*	.	H	α-helix	trans	-56.2	-37.7	-178	-171.5	166.3	0	0	0	113.4	W585 S599 G600	W585-I596 VanDerWaalsContact CD1-CA 3.47Å; I596-S599 PolarHBondContact O-N 3.05Å; I596-S599 PolarHBondContact O-OG 2.96Å; I596-G600 PolarHBondContact O-N 3.11Å
597	E	97.3	Very high	96.5	Very high	55 Å²	55	28.1 Å²	28.1	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-67.1	-52.2	179.7	-171.6	-175.8	-173.1	0	0	111.9	C595 S599 G600 I601 R656 K659	C595-E597 VanDerWaalsContact C-N 3.27Å; C595-E597 PolarHBondContact O-N 3.4Å; E597-S599 VanDerWaalsContact C-N 3.26Å; E597-S599 PolarHBondContact O-N 2.61Å; E597-G600 WeakPolarHBondContact O-CA 3.41Å; E597-G600 PolarHBondContact O-N 2.99Å; E597-I601 PolarHBondContact O-N 2.88Å; E597-R656 WeakPolarHBondContact OE1-CA 3.27Å; E597-R656 WeakPolarHBondContact OE1-CB 3.26Å; E597-K659 IonicContact OE1-NZ 3.33Å; E597-K659 WeakPolarHBondContact OE2-CD 3.33Å; E597-K659 WeakPolarHBondContact OE2-CE 3.23Å; E597-K659 IonicContact OE2-NZ 3.92Å; E597-K659 PolarHBondContact OE2-NZ 3.47Å
598	C	98.2	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-36.3	175.5	-66.5	0	0	0	0	111.5	C578 M594 C595 G600 I601 H602 I663	C578-C598 PolarHBondContact SG-SG 3.28Å; M594-C598 HydrophobicContact CB-CB 4.09Å; C595-C598 PolarHBondContact O-N 2.95Å; C598-G600 PolarHBondContact O-N 2.91Å; C598-I601 PolarHBondContact O-N 3.29Å; C598-H602 PolarHBondContact O-CD2 3.2Å; C598-H602 PolarHBondContact O-N 3.41Å; C598-I663 HydrophobicContact CB-CD1 3.9Å
599	S	97.9	Very high	95.8	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-35.5	172.8	92.7	0	0	0	0	112.7	C595 I596 E597 I601 H602 R603	C595-S599 WeakPolarHBondContact O-CB 3.45Å; C595-S599 PolarHBondContact O-N 3.49Å; I596-S599 PolarHBondContact O-N 3.05Å; I596-S599 PolarHBondContact O-OG 2.96Å; E597-S599 VanDerWaalsContact C-N 3.26Å; E597-S599 PolarHBondContact O-N 2.61Å; S599-I601 VanDerWaalsContact C-N 3.33Å; S599-H602 PolarHBondContact O-N 2.84Å; S599-R603 VanDerWaalsContact O-CG 3.26Å; S599-R603 WeakPolarHBondContact O-CG 3.32Å; S599-R603 PolarHBondContact O-N 3.35Å
600	G	96.5	Very high	95.9	Very high	20 Å²	20	36.4 Å²	36.4	21%	0.206	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-32.7	175.5	0	0	0	0	0	113.1	I596 E597 C598	I596-G600 PolarHBondContact O-N 3.11Å; E597-G600 WeakPolarHBondContact O-CA 3.41Å; E597-G600 PolarHBondContact O-N 2.99Å; C598-G600 PolarHBondContact O-N 2.91Å
601	I	98	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-76.8	-43.9	174.9	-60.6	164.3	0	0	0	110.1	E597 C598 S599 R603 N604 L605 R656 K659 E660 I663	E597-I601 PolarHBondContact O-N 2.88Å; C598-I601 PolarHBondContact O-N 3.29Å; S599-I601 VanDerWaalsContact C-N 3.33Å; I601-R603 PolarHBondContact O-N 2.86Å; I601-N604 WeakPolarHBondContact O-CA 3.33Å; I601-N604 WeakPolarHBondContact O-CB 3.46Å; I601-N604 PolarHBondContact O-N 3.25Å; I601-L605 PolarHBondContact O-N 2.92Å; I601-R656 HydrophobicContact CD1-CG 4.45Å; I601-K659 HydrophobicContact CD1-CB 3.8Å; I601-E660 HydrophobicContact CD1-CB 4.02Å; I601-E660 HydrophobicContact CG1-CB 4.25Å; I601-E660 HydrophobicContact CG2-CB 3.91Å; I601-E660 HydrophobicContact CG2-CG 3.83Å; I601-I663 HydrophobicContact CB-CD1 4.01Å; I601-I663 HydrophobicContact CD1-CD1 3.93Å; I601-I663 HydrophobicContact CG2-CB 3.98Å; I601-I663 HydrophobicContact CG2-CD1 3.95Å; I601-I663 HydrophobicContact CG2-CG2 3.66Å
602	H	98	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-32.5	175.9	-90.3	-102.3	0	0	0	113.3	D577 M594 C598 S599 N604 L605 S610 V612 Y667	D577-H602 IonicContact OD2-CD2 3.89Å; D577-H602 IonicContact OD2-NE2 3.67Å; D577-H602 PolarHBondContact OD2-NE2 2.8Å; M594-H602 HydrophobicContact CE-CB 4.38Å; M594-H602 HydrophobicContact SD-CB 3.88Å; C598-H602 PolarHBondContact O-CD2 3.2Å; C598-H602 PolarHBondContact O-N 3.41Å; S599-H602 PolarHBondContact O-N 2.84Å; H602-N604 VanDerWaalsContact C-N 3.29Å; H602-N604 PolarHBondContact O-N 3.22Å; H602-L605 PolarHBondContact O-N 3.47Å; H602-S610 WeakPolarHBondContact ND1-CB 3.18Å; H602-S610 PolarHBondContact ND1-OG 2.83Å; H602-V612 HydrophobicContact CB-CG2 3.63Å; H602-Y667 AromaticContact CE1-CD2 3.48Å; H602-Y667 VanDerWaalsContact CE1-CD2 3.48Å; H602-Y667 WeakPolarHBondContact CE1-CD2 3.37Å; H602-Y667 AromaticContact CE1-CE2 3.18Å; H602-Y667 WeakPolarHBondContact CE1-CE2 3.39Å; H602-Y667 AromaticContact CE1-CZ 3.78Å; H602-Y667 AromaticContact NE2-CD2 3.7Å; H602-Y667 AromaticContact NE2-CE2 3.3Å; H602-Y667 VanDerWaalsContact NE2-CE2 3.3Å; H602-Y667 WeakPolarHBondContact NE2-CE2 3.23Å
603	R	96.2	Very high	95.7	Very high	128 Å²	128	44.5 Å²	44.5	48%	0.483	22%	0.224	S	C	.	.	H	α-helix	trans	-62.6	-34.3	170.7	-74.5	166.7	-175.7	-81.6	2.7	112.5	S599 I601 L605 G606 V612	S599-R603 VanDerWaalsContact O-CG 3.26Å; S599-R603 WeakPolarHBondContact O-CG 3.32Å; S599-R603 PolarHBondContact O-N 3.35Å; I601-R603 PolarHBondContact O-N 2.86Å; R603-L605 VanDerWaalsContact C-N 3.34Å; R603-G606 PolarHBondContact O-N 2.88Å; R603-V612 HydrophobicContact CG-CB 4.09Å; R603-V612 HydrophobicContact CG-CG1 4.25Å; R603-V612 HydrophobicContact CG-CG2 4.05Å
604	N	95.9	Very high	95.6	Very high	98 Å²	98	44.5 Å²	44.5	52%	0.524	22%	0.224	S	C	.	.	H	α-helix	trans	-77.2	-14.8	178.9	-66.5	-8.4	0	0	0	113.8	I601 H602	I601-N604 WeakPolarHBondContact O-CA 3.33Å; I601-N604 WeakPolarHBondContact O-CB 3.46Å; I601-N604 PolarHBondContact O-N 3.25Å; H602-N604 VanDerWaalsContact C-N 3.29Å; H602-N604 PolarHBondContact O-N 3.22Å
605	L	94.3	Very high	95.2	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-74.8	-27.5	169.9	-57.7	-176.8	0	0	0	112.3	I601 H602 R603 H608 L609 I663 R664 E668	I601-L605 PolarHBondContact O-N 2.92Å; H602-L605 PolarHBondContact O-N 3.47Å; R603-L605 VanDerWaalsContact C-N 3.34Å; L605-H608 PolarHBondContact O-CE1 3.4Å; L605-H608 VanDerWaalsContact O-CE1 3.26Å; L605-L609 HydrophobicContact CB-CB 4.11Å; L605-L609 HydrophobicContact CB-CD1 4.08Å; L605-I663 HydrophobicContact CD1-CG2 3.85Å; L605-I663 HydrophobicContact CG-CG2 4.43Å; L605-R664 HydrophobicContact CD2-CG 4.01Å; L605-E668 HydrophobicContact CD2-CB 4.39Å
606	G	90.6	Very high	94.7	Very high	24 Å²	24	48.4 Å²	48.4	25%	0.247	24%	0.244	C	C	.	.			trans	85.4	161.6	-177.4	0	0	0	0	0	114.7	R603 H608 L609 S610	R603-G606 PolarHBondContact O-N 2.88Å; G606-H608 PolarHBondContact O-N 3.26Å; G606-H608 VanDerWaalsContact O-N 3.08Å; G606-L609 PolarHBondContact O-N 3.5Å; G606-S610 PolarHBondContact O-N 2.92Å
607	T	90.9	Very high	94.2	Very high	108 Å²	108	49.4 Å²	49.4	66%	0.663	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-9	-167.5	50.6	0	0	0	0	116.1	R611	T607-R611 WeakPolarHBondContact O-CG 3.29Å; T607-R611 PolarHBondContact O-NE 2.97Å
608	H	86.9	Confident	93.7	Very high	149 Å²	149	49.7 Å²	49.7	69%	0.69	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-21.1	174.5	68.7	-73.2	0	0	0	112.5	L605 G606	L605-H608 PolarHBondContact O-CE1 3.4Å; L605-H608 VanDerWaalsContact O-CE1 3.26Å; G606-H608 PolarHBondContact O-N 3.26Å; G606-H608 VanDerWaalsContact O-N 3.08Å
609	L	93.4	Very high	93.1	Very high	36 Å²	36	54.1 Å²	54.1	19%	0.188	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-40.9	171.4	-65.8	174.5	0	0	0	111.6	N589 L605 G606 E668	N589-L609 PolarHBondContact ND2-O 2.96Å; L605-L609 HydrophobicContact CB-CB 4.11Å; L605-L609 HydrophobicContact CB-CD1 4.08Å; G606-L609 PolarHBondContact O-N 3.5Å; L609-E668 HydrophobicContact CD1-CB 4.08Å; L609-E668 HydrophobicContact CD1-CG 4.33Å
610	S	96.6	Very high	92.6	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.028	28%	0.277	C	S	.	.			trans	-145.7	120.8	-173.6	-175.2	0	0	0	0	113.8	S587 N589 H602 G606	S587-S610 WeakPolarHBondContact CB-OG 3.36Å; S587-S610 PolarHBondContact OG-OG 2.84Å; N589-S610 WeakPolarHBondContact OD1-CA 3.3Å; H602-S610 WeakPolarHBondContact ND1-CB 3.18Å; H602-S610 PolarHBondContact ND1-OG 2.83Å; G606-S610 PolarHBondContact O-N 2.92Å
611	R	96.4	Very high	92.2	Very high	63 Å²	63	56 Å²	56	24%	0.238	28%	0.284	C	S	.	.			trans	-100.9	86	179.6	-63.4	178.4	-172.3	-135.4	3.9	110.2	S587 L588 N589 T607 W741	S587-R611 PolarHBondContact OG-N 3.14Å; L588-R611 HydrophobicContact CB-CB 4.16Å; L588-R611 HydrophobicContact CD1-CB 4.42Å; L588-R611 WeakPolarHBondContact CG-O 3.31Å; L588-R611 PolarHBondContact N-O 3Å; N589-R611 WeakPolarHBondContact OD1-CB 3.31Å; N589-R611 WeakPolarHBondContact OD1-CG 3.29Å; N589-R611 PolarHBondContact OD1-N 3.39Å; T607-R611 WeakPolarHBondContact O-CG 3.29Å; T607-R611 PolarHBondContact O-NE 2.97Å; R611-W741 VanDerWaalsContact CZ-CD1 3.43Å; R611-W741 PolarHBondContact NH2-O 2.83Å
612	V	97.2	Very high	91.7	Very high	10 Å²	10	59.7 Å²	59.7	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138.6	-171.6	-177.6	0	0	0	0	113.3	W585 A586 H602 R603	W585-V612 HydrophobicContact CE3-CG1 3.98Å; A586-V612 CarbonylContact O-C 3.52Å; A586-V612 VanDerWaalsContact O-CA 3.27Å; A586-V612 WeakPolarHBondContact O-CA 3.41Å; H602-V612 HydrophobicContact CB-CG2 3.63Å; R603-V612 HydrophobicContact CG-CB 4.09Å; R603-V612 HydrophobicContact CG-CG1 4.25Å; R603-V612 HydrophobicContact CG-CG2 4.05Å
613	R	95.7	Very high	91.2	Very high	100 Å²	100	61.5 Å²	61.5	38%	0.377	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.9	171.1	-72.5	-64.4	-177.8	-86.8	7.7	111.8	W585 A586 L588 D618 W620	W585-R613 CarbonylContact C-O 3.55Å; W585-R613 WeakPolarHBondContact CA-O 3.43Å; A586-R613 PolarHBondContact N-O 3.44Å; A586-R613 PolarHBondContact O-N 3.34Å; L588-R613 HydrophobicContact CD1-CG 3.78Å; L588-R613 HydrophobicContact CD2-CB 4.5Å; L588-R613 HydrophobicContact CD2-CG 4.18Å; L588-R613 HydrophobicContact CG-CG 4Å; R613-D618 VanDerWaalsContact CA-OD2 3.31Å; R613-D618 WeakPolarHBondContact CA-OD2 3.32Å; R613-D618 HydrophobicContact CB-CB 4.44Å; R613-D618 WeakPolarHBondContact CD-OD2 3.49Å; R613-W620 HydrophobicContact CB-CH2 4.14Å; R613-W620 HydrophobicContact CB-CZ2 3.75Å
614	S	95	Very high	91.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145.7	167.3	-175.3	0	0	0	0	110.6	W585 D616 L617 D618 W620	W585-S614 VanDerWaalsContact CZ3-CB 3.47Å; S614-D616 VanDerWaalsContact C-N 3.26Å; S614-D616 PolarHBondContact OG-N 2.92Å; S614-D616 VanDerWaalsContact OG-N 3.09Å; S614-L617 PolarHBondContact OG-N 3.45Å; S614-D618 PolarHBondContact N-OD2 3.37Å; S614-W620 PolarHBondContact O-NE1 3.16Å
615	L	91.1	Very high	90.9	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.1	169	-87	66.6	0	0	0	113	I566 R567 N584 A586 L593 W620	I566-L615 HydrophobicContact CG2-CD2 4.43Å; R567-L615 HydrophobicContact CG-CD2 3.87Å; N584-L615 HydrophobicContact CB-CB 4.48Å; N584-L615 PolarHBondContact O-N 2.88Å; A586-L615 HydrophobicContact CB-CD1 3.8Å; L593-L615 HydrophobicContact CD1-CD2 4.04Å; L593-L615 HydrophobicContact CD2-CD1 3.59Å; L593-L615 HydrophobicContact CD2-CD2 4.06Å; L593-L615 HydrophobicContact CD2-CG 4.47Å; L615-W620 HydrophobicContact CD1-CH2 4.42Å; L615-W620 HydrophobicContact CD1-CZ2 3.88Å; L615-W620 HydrophobicContact CG-CZ2 4.36Å
616	D	86.4	Confident	90.9	Very high	89 Å²	89	55.2 Å²	55.2	48%	0.476	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-12.3	-171.1	-60.3	-49.5	0	0	0	113.6	R567 N584 S614	R567-D616 IonicContact CZ-OD1 2.69Å; R567-D616 IonicContact NH1-OD1 3.91Å; R567-D616 VanDerWaalsContact NH2-CG 3.31Å; R567-D616 IonicContact NH2-OD1 2.69Å; R567-D616 PolarHBondContact NH2-OD1 2.96Å; R567-D616 IonicContact NH2-OD2 3.25Å; R567-D616 PolarHBondContact NH2-OD2 3.43Å; N584-D616 WeakPolarHBondContact CB-OD2 3.25Å; N584-D616 PolarHBondContact ND2-OD2 3.38Å; S614-D616 VanDerWaalsContact C-N 3.26Å; S614-D616 PolarHBondContact OG-N 2.92Å; S614-D616 VanDerWaalsContact OG-N 3.09Å
617	L	84.8	Confident	91.1	Very high	137 Å²	137	54.1 Å²	54.1	72%	0.717	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-8.7	-171	-53.8	173.2	0	0	0	115.5	W585 S614	W585-L617 HydrophobicContact CH2-CD1 4.2Å; W585-L617 HydrophobicContact CZ2-CD1 4.16Å; S614-L617 PolarHBondContact OG-N 3.45Å
618	D	88.6	Confident	91.4	Very high	61 Å²	61	49 Å²	49	33%	0.326	25%	0.245	S	C	.	.	S	Bend	trans	-118.6	153.6	177.3	-71.3	-68.8	0	0	0	109.9	R613 S614 W620	R613-D618 VanDerWaalsContact CA-OD2 3.31Å; R613-D618 WeakPolarHBondContact CA-OD2 3.32Å; R613-D618 HydrophobicContact CB-CB 4.44Å; R613-D618 WeakPolarHBondContact CD-OD2 3.49Å; S614-D618 PolarHBondContact N-OD2 3.37Å; D618-W620 PolarHBondContact O-NE1 2.76Å
619	D	84.9	Confident	91.8	Very high	93 Å²	93	43.5 Å²	43.5	50%	0.497	22%	0.223	S	C	.	.			trans	-67.3	148.2	172.7	-58.8	-80.5	0	0	0	112.6	K549 P621	K549-D619 IonicContact NZ-OD1 3.44Å; K549-D619 PolarHBondContact NZ-OD1 3.18Å; K549-D619 IonicContact NZ-OD2 2.66Å; K549-D619 PolarHBondContact NZ-OD2 3.06Å; D619-P621 WeakPolarHBondContact O-CD 3.35Å
620	W	87.3	Confident	91.8	Very high	8 Å²	8	44.1 Å²	44.1	3%	0.03	23%	0.231	C	C	.	.			trans	-122.9	84.9	177.8	-74.9	87.4	0	0	0	114	L563 A586 L588 R613 S614 L615 D618 L624 I625 M628	L563-W620 HydrophobicContact CD2-CB 4.08Å; L563-W620 HydrophobicContact CD2-CD2 3.91Å; L563-W620 HydrophobicContact CD2-CG 3.61Å; A586-W620 HydrophobicContact CB-CH2 3.81Å; A586-W620 HydrophobicContact CB-CZ2 4.22Å; L588-W620 HydrophobicContact CD2-CE3 4.48Å; L588-W620 HydrophobicContact CD2-CH2 3.51Å; L588-W620 HydrophobicContact CD2-CZ3 3.44Å; L588-W620 VanDerWaalsContact CD2-CZ3 3.44Å; R613-W620 HydrophobicContact CB-CH2 4.14Å; R613-W620 HydrophobicContact CB-CZ2 3.75Å; S614-W620 PolarHBondContact O-NE1 3.16Å; L615-W620 HydrophobicContact CD1-CH2 4.42Å; L615-W620 HydrophobicContact CD1-CZ2 3.88Å; L615-W620 HydrophobicContact CG-CZ2 4.36Å; D618-W620 PolarHBondContact O-NE1 2.76Å; W620-L624 HydrophobicContact CE3-CB 3.84Å; W620-L624 HydrophobicContact CZ3-CB 4.03Å; W620-I625 HydrophobicContact CB-CD1 3.97Å; W620-I625 HydrophobicContact CB-CG1 3.86Å; W620-I625 HydrophobicContact CE3-CG1 4.39Å; W620-I625 WeakPolarHBondContact O-CD1 3.16Å; W620-M628 HydrophobicContact CH2-CG 3.99Å; W620-M628 HydrophobicContact CZ3-CG 3.55Å
621	P	88.7	Confident	91.8	Very high	56 Å²	56	44.3 Å²	44.3	36%	0.364	23%	0.231	S	C	.	.			trans	-51.8	147.1	166.3	-25.5	33.6	0	0	0	112.9	D619 E623 L624 I625	D619-P621 WeakPolarHBondContact O-CD 3.35Å; P621-E623 WeakPolarHBondContact CB-OE2 3.46Å; P621-E623 PolarHBondContact O-N 3.22Å; P621-E623 VanDerWaalsContact O-N 3.08Å; P621-L624 HydrophobicContact CB-CG 4.37Å; P621-L624 HydrophobicContact CG-CD1 4.44Å; P621-L624 HydrophobicContact CG-CG 4.49Å; P621-L624 WeakPolarHBondContact O-CB 3.41Å; P621-L624 PolarHBondContact O-N 3.22Å; P621-I625 PolarHBondContact O-N 2.83Å
622	V	86.9	Confident	91.9	Very high	78 Å²	78	41.3 Å²	41.3	47%	0.473	22%	0.22	S	C	.	.	H	α-helix	trans	-58.6	-29.2	-172.6	177	0	0	0	0	112	I625 K626	V622-I625 PolarHBondContact O-N 2.87Å; V622-K626 HydrophobicContact CG1-CD 4.36Å; V622-K626 WeakPolarHBondContact O-CB 3.46Å; V622-K626 VanDerWaalsContact O-CG 3.3Å; V622-K626 WeakPolarHBondContact O-CG 3.25Å; V622-K626 PolarHBondContact O-N 3.48Å
623	E	88.2	Confident	91.9	Very high	37 Å²	37	41 Å²	41	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-44.4	178.8	-54.4	62.4	-131.8	0	0	110.3	P621 K626 V627 V733 V771	P621-E623 WeakPolarHBondContact CB-OE2 3.46Å; P621-E623 PolarHBondContact O-N 3.22Å; P621-E623 VanDerWaalsContact O-N 3.08Å; E623-K626 PolarHBondContact O-N 2.85Å; E623-V627 WeakPolarHBondContact O-CG2 3.14Å; E623-V627 PolarHBondContact O-N 2.95Å; E623-V627 VanDerWaalsContact O-N 3.15Å; E623-V733 HydrophobicContact CB-CG2 4.38Å; E623-V733 HydrophobicContact CG-CG2 4.26Å; E623-V771 HydrophobicContact CB-CG2 3.99Å; E623-V771 HydrophobicContact CG-CG2 3.54Å
624	L	92.5	Very high	91.9	Very high	20 Å²	20	41 Å²	41	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-41.3	175.8	-53.9	-166.4	0	0	0	110.9	L588 W620 P621 K626 V627 M628 W741	L588-L624 HydrophobicContact CD1-CD1 3.91Å; L588-L624 HydrophobicContact CD1-CD2 4.3Å; L588-L624 HydrophobicContact CD2-CB 4.24Å; L588-L624 HydrophobicContact CD2-CD1 4.03Å; W620-L624 HydrophobicContact CE3-CB 3.84Å; W620-L624 HydrophobicContact CZ3-CB 4.03Å; P621-L624 HydrophobicContact CB-CG 4.37Å; P621-L624 HydrophobicContact CG-CD1 4.44Å; P621-L624 HydrophobicContact CG-CG 4.49Å; P621-L624 WeakPolarHBondContact O-CB 3.41Å; P621-L624 PolarHBondContact O-N 3.22Å; L624-K626 VanDerWaalsContact C-N 3.33Å; L624-K626 PolarHBondContact O-N 2.83Å; L624-V627 PolarHBondContact O-N 3.19Å; L624-M628 WeakPolarHBondContact O-CG 3.4Å; L624-M628 PolarHBondContact O-N 2.92Å; L624-W741 HydrophobicContact CD2-CH2 3.74Å; L624-W741 HydrophobicContact CD2-CZ2 3.53Å
625	I	92.9	Very high	92.1	Very high	18 Å²	18	43 Å²	43	9%	0.092	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-46.6	175.4	-70.6	177.5	0	0	0	110.5	E559 A562 I566 W620 P621 V622 M628 S629	E559-I625 HydrophobicContact CG-CD1 4.33Å; A562-I625 HydrophobicContact CB-CD1 4.2Å; A562-I625 HydrophobicContact CB-CG2 3.67Å; I566-I625 HydrophobicContact CD1-CB 4.49Å; I566-I625 HydrophobicContact CD1-CG1 4.39Å; I566-I625 HydrophobicContact CD1-CG2 4.37Å; W620-I625 HydrophobicContact CB-CD1 3.97Å; W620-I625 HydrophobicContact CB-CG1 3.86Å; W620-I625 HydrophobicContact CE3-CG1 4.39Å; W620-I625 WeakPolarHBondContact O-CD1 3.16Å; P621-I625 PolarHBondContact O-N 2.83Å; V622-I625 PolarHBondContact O-N 2.87Å; I625-M628 PolarHBondContact O-N 3.33Å; I625-S629 VanDerWaalsContact O-CB 3.23Å; I625-S629 WeakPolarHBondContact O-CB 3.13Å; I625-S629 PolarHBondContact O-N 3.5Å; I625-S629 PolarHBondContact O-OG 3.19Å
626	K	93.5	Very high	92.4	Very high	65 Å²	65	42.9 Å²	42.9	28%	0.283	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-42.9	177.8	-78	175.7	179.2	-176.8	0	112.2	V622 E623 L624 S629 S630 V733 V734 E767	V622-K626 HydrophobicContact CG1-CD 4.36Å; V622-K626 WeakPolarHBondContact O-CB 3.46Å; V622-K626 VanDerWaalsContact O-CG 3.3Å; V622-K626 WeakPolarHBondContact O-CG 3.25Å; V622-K626 PolarHBondContact O-N 3.48Å; E623-K626 PolarHBondContact O-N 2.85Å; L624-K626 VanDerWaalsContact C-N 3.33Å; L624-K626 PolarHBondContact O-N 2.83Å; K626-S629 PolarHBondContact O-N 3.35Å; K626-S630 WeakPolarHBondContact O-CB 3.38Å; K626-S630 PolarHBondContact O-N 3.42Å; K626-S630 PolarHBondContact O-OG 3.47Å; K626-V733 HydrophobicContact CB-CG1 4.47Å; K626-V733 HydrophobicContact CD-CG1 3.59Å; K626-V734 HydrophobicContact CB-CG2 4.02Å; K626-E767 VanDerWaalsContact NZ-CD 3.3Å; K626-E767 IonicContact NZ-OE1 3.75Å; K626-E767 PolarHBondContact NZ-OE1 3.45Å
627	V	95.6	Very high	92.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-51.6	176.3	176.2	0	0	0	0	111	E623 L624 S629 S630 I631 V734 Q737 L738 W741	E623-V627 WeakPolarHBondContact O-CG2 3.14Å; E623-V627 PolarHBondContact O-N 2.95Å; E623-V627 VanDerWaalsContact O-N 3.15Å; L624-V627 PolarHBondContact O-N 3.19Å; V627-S629 VanDerWaalsContact C-N 3.28Å; V627-S629 PolarHBondContact O-N 3.11Å; V627-S630 PolarHBondContact O-N 3.41Å; V627-I631 HydrophobicContact CG1-CD1 3.85Å; V627-I631 PolarHBondContact O-N 2.85Å; V627-V734 HydrophobicContact CG2-CB 4.43Å; V627-V734 HydrophobicContact CG2-CG1 4.19Å; V627-V734 HydrophobicContact CG2-CG2 4.39Å; V627-Q737 HydrophobicContact CG2-CB 4.13Å; V627-Q737 HydrophobicContact CG2-CG 4.16Å; V627-L738 HydrophobicContact CG1-CD2 4.21Å; V627-W741 HydrophobicContact CG1-CZ3 4.09Å; V627-W741 HydrophobicContact CG2-CH2 4.43Å; V627-W741 HydrophobicContact CG2-CZ3 4.44Å
628	M	96.6	Very high	93.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-32.5	-179.6	-67	-56.5	-56.5	0	0	113	I566 A586 L588 G591 L593 W620 L624 I625 S630	I566-M628 HydrophobicContact CD1-CB 3.67Å; I566-M628 HydrophobicContact CD1-CG 4.45Å; I566-M628 HydrophobicContact CG1-CB 3.81Å; I566-M628 HydrophobicContact CG2-CB 3.89Å; I566-M628 HydrophobicContact CG2-CE 4.38Å; A586-M628 HydrophobicContact CB-CE 3.76Å; A586-M628 HydrophobicContact CB-SD 4.28Å; L588-M628 HydrophobicContact CD2-CG 4.5Å; L588-M628 HydrophobicContact CD2-SD 4.47Å; G591-M628 VanDerWaalsContact C-CE 3.45Å; L593-M628 HydrophobicContact CD2-CE 3.61Å; L593-M628 HydrophobicContact CG-CE 4.43Å; W620-M628 HydrophobicContact CH2-CG 3.99Å; W620-M628 HydrophobicContact CZ3-CG 3.55Å; L624-M628 WeakPolarHBondContact O-CG 3.4Å; L624-M628 PolarHBondContact O-N 2.92Å; I625-M628 PolarHBondContact O-N 3.33Å; M628-S630 VanDerWaalsContact C-N 3.26Å; M628-S630 PolarHBondContact O-N 3.33Å
629	S	94.6	Very high	93.9	Very high	34 Å²	34	32.1 Å²	32.1	24%	0.238	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.3	176.4	-52.6	0	0	0	0	113.8	I566 M569 I625 K626 V627	I566-S629 WeakPolarHBondContact CG1-OG 3.41Å; M569-S629 VanDerWaalsContact CE-O 3.24Å; M569-S629 WeakPolarHBondContact CE-O 3.4Å; M569-S629 VanDerWaalsContact SD-O 3.36Å; I625-S629 VanDerWaalsContact O-CB 3.23Å; I625-S629 WeakPolarHBondContact O-CB 3.13Å; I625-S629 PolarHBondContact O-N 3.5Å; I625-S629 PolarHBondContact O-OG 3.19Å; K626-S629 PolarHBondContact O-N 3.35Å; V627-S629 VanDerWaalsContact C-N 3.28Å; V627-S629 PolarHBondContact O-N 3.11Å
630	S	95.3	Very high	94.4	Very high	49 Å²	49	28.2 Å²	28.2	34%	0.343	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-12.2	179.6	-57.1	0	0	0	0	113.6	K626 V627 M628 L696	K626-S630 WeakPolarHBondContact O-CB 3.38Å; K626-S630 PolarHBondContact O-N 3.42Å; K626-S630 PolarHBondContact O-OG 3.47Å; V627-S630 PolarHBondContact O-N 3.41Å; M628-S630 VanDerWaalsContact C-N 3.26Å; M628-S630 PolarHBondContact O-N 3.33Å; S630-L696 VanDerWaalsContact O-CD2 3.3Å; S630-L696 WeakPolarHBondContact O-CD2 3.32Å
631	I	96.6	Very high	94.8	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.036	16%	0.163	C	C	.	.	S	Bend	trans	-114.8	-85.5	-173.8	-57	170.4	0	0	0	110	V627 L635 A636 L696 I700 L738	V627-I631 HydrophobicContact CG1-CD1 3.85Å; V627-I631 PolarHBondContact O-N 2.85Å; I631-L635 HydrophobicContact CB-CD2 4.42Å; I631-L635 HydrophobicContact CG1-CD2 4.49Å; I631-L635 HydrophobicContact CG2-CB 4.17Å; I631-L635 HydrophobicContact CG2-CD2 4.18Å; I631-L635 HydrophobicContact CG2-CG 4.43Å; I631-L635 WeakPolarHBondContact O-CB 3.42Å; I631-A636 HydrophobicContact CG2-CB 4.23Å; I631-L696 HydrophobicContact CG1-CD2 4.13Å; I631-I700 HydrophobicContact CD1-CD1 3.61Å; I631-I700 HydrophobicContact CG1-CD1 3.74Å; I631-I700 HydrophobicContact CG2-CD1 4.28Å; I631-L738 HydrophobicContact CD1-CD1 4.32Å; I631-L738 HydrophobicContact CD1-CD2 4.39Å
632	G	96.6	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	72.5	166.5	-174	0	0	0	0	0	114	N572 G591 E634 L635 A636	N572-G632 VanDerWaalsContact OD1-CA 3.29Å; N572-G632 WeakPolarHBondContact OD1-CA 3.15Å; G591-G632 WeakPolarHBondContact O-CA 3.48Å; G591-G632 PolarHBondContact O-N 2.88Å; G632-E634 VanDerWaalsContact C-N 3.34Å; G632-E634 PolarHBondContact O-N 2.7Å; G632-L635 PolarHBondContact O-N 3.5Å; G632-A636 WeakPolarHBondContact O-CB 3.47Å; G632-A636 PolarHBondContact O-N 3.48Å
633	N	98.1	Very high	95.1	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-67.5	-30.5	-168.5	-68.4	-7.6	0	0	0	113.5	R570 G571 N572 H574 V576 A592 L593 N637	R570-N633 PolarHBondContact O-N 3.35Å; G571-N633 PolarHBondContact O-ND2 3.34Å; N572-N633 WeakPolarHBondContact OD1-CB 3.47Å; N572-N633 PolarHBondContact OD1-N 3.4Å; N572-N633 PolarHBondContact OD1-OD1 2.96Å; H574-N633 PolarHBondContact O-ND2 3.09Å; V576-N633 HydrophobicContact CB-CB 4.28Å; V576-N633 HydrophobicContact CG2-CB 4.17Å; V576-N633 PolarHBondContact N-ND2 3.17Å; A592-N633 VanDerWaalsContact CA-OD1 3.23Å; A592-N633 WeakPolarHBondContact CA-OD1 3.25Å; A592-N633 WeakPolarHBondContact CB-OD1 3.34Å; L593-N633 PolarHBondContact N-OD1 3.44Å; L593-N633 PolarHBondContact O-ND2 3.3Å; L593-N633 PolarHBondContact O-OD1 3.4Å; N633-N637 WeakPolarHBondContact O-CB 3.26Å; N633-N637 PolarHBondContact O-N 2.93Å
634	E	96.6	Very high	95	Very high	100 Å²	100	31.3 Å²	31.3	47%	0.467	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-49.7	173	-176.4	174.3	113.2	0	0	110.9	R570 G632 S638	R570-E634 HydrophobicContact CB-CB 3.68Å; R570-E634 HydrophobicContact CB-CG 4.3Å; R570-E634 WeakPolarHBondContact CB-OE2 3.4Å; R570-E634 VanDerWaalsContact CD-CD 3.41Å; R570-E634 WeakPolarHBondContact CD-OE1 3.19Å; R570-E634 WeakPolarHBondContact CD-OE2 3.44Å; R570-E634 IonicContact CZ-OE1 3.79Å; R570-E634 IonicContact NE-OE1 2.78Å; R570-E634 IonicContact NH1-OE1 3.05Å; R570-E634 PolarHBondContact NH1-OE1 2.97Å; R570-E634 PolarHBondContact O-N 3Å; G632-E634 VanDerWaalsContact C-N 3.34Å; G632-E634 PolarHBondContact O-N 2.7Å; E634-S638 WeakPolarHBondContact O-CB 3.44Å; E634-S638 PolarHBondContact O-N 3.11Å
635	L	97.6	Very high	94.7	Very high	42 Å²	42	36 Å²	36	22%	0.22	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-42.8	178.5	-170	65.8	0	0	0	111.4	I631 G632 S638 V639 L696 R697 I700	I631-L635 HydrophobicContact CB-CD2 4.42Å; I631-L635 HydrophobicContact CG1-CD2 4.49Å; I631-L635 HydrophobicContact CG2-CB 4.17Å; I631-L635 HydrophobicContact CG2-CD2 4.18Å; I631-L635 HydrophobicContact CG2-CG 4.43Å; I631-L635 WeakPolarHBondContact O-CB 3.42Å; G632-L635 PolarHBondContact O-N 3.5Å; L635-S638 WeakPolarHBondContact O-CB 3.49Å; L635-S638 PolarHBondContact O-N 3.28Å; L635-S638 PolarHBondContact O-OG 3.4Å; L635-V639 PolarHBondContact O-N 2.92Å; L635-L696 HydrophobicContact CD2-CD2 4.43Å; L635-L696 HydrophobicContact CD2-CG 4.49Å; L635-R697 HydrophobicContact CD1-CB 3.98Å; L635-R697 HydrophobicContact CD1-CG 3.88Å; L635-I700 HydrophobicContact CD2-CD1 4.34Å
636	A	97.6	Very high	94.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-47.5	179.7	0	0	0	0	0	111.8	V576 A592 I631 G632 S638 V639 W640	V576-A636 HydrophobicContact CG2-CB 4.47Å; A592-A636 HydrophobicContact CB-CB 3.89Å; I631-A636 HydrophobicContact CG2-CB 4.23Å; G632-A636 WeakPolarHBondContact O-CB 3.47Å; G632-A636 PolarHBondContact O-N 3.48Å; A636-S638 VanDerWaalsContact C-N 3.34Å; A636-V639 PolarHBondContact O-N 3.07Å; A636-V639 VanDerWaalsContact O-N 3.13Å; A636-W640 WeakPolarHBondContact O-CB 3.31Å; A636-W640 VanDerWaalsContact O-CD1 3.29Å; A636-W640 PolarHBondContact O-N 2.88Å
637	N	97.3	Very high	94	Very high	26 Å²	26	40.9 Å²	40.9	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-73.7	-24.2	177.1	-72.7	-18.9	0	0	0	112.7	V576 N633 V639 E641 E642 K649 K666	V576-N637 WeakPolarHBondContact CG2-OD1 3.49Å; V576-N637 PolarHBondContact O-ND2 3.5Å; V576-N637 PolarHBondContact O-OD1 3.11Å; N633-N637 WeakPolarHBondContact O-CB 3.26Å; N633-N637 PolarHBondContact O-N 2.93Å; N637-V639 PolarHBondContact O-N 2.94Å; N637-V639 VanDerWaalsContact O-N 3.16Å; N637-E641 HydrophobicContact CB-CB 4.1Å; N637-E641 HydrophobicContact CB-CG 4.17Å; N637-E641 VanDerWaalsContact CG-OE2 3.27Å; N637-E641 PolarHBondContact ND2-OE2 2.98Å; N637-E641 CarbonylContact O-C 3.59Å; N637-E641 WeakPolarHBondContact O-CA 3.21Å; N637-E641 PolarHBondContact O-N 3.36Å; N637-E641 WeakPolarHBondContact OD1-CG 3.49Å; N637-E642 PolarHBondContact O-N 2.91Å; N637-K649 PolarHBondContact ND2-NZ 2.89Å; N637-K666 PolarHBondContact OD1-NZ 2.95Å
638	S	96.6	Very high	93.8	Very high	36 Å²	36	47 Å²	47	25%	0.252	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-20.2	167.9	87.8	0	0	0	0	113.2	E634 L635 A636 R697	E634-S638 WeakPolarHBondContact O-CB 3.44Å; E634-S638 PolarHBondContact O-N 3.11Å; L635-S638 WeakPolarHBondContact O-CB 3.49Å; L635-S638 PolarHBondContact O-N 3.28Å; L635-S638 PolarHBondContact O-OG 3.4Å; A636-S638 VanDerWaalsContact C-N 3.34Å; S638-R697 PolarHBondContact O-NH2 2.54Å; S638-R697 PolarHBondContact OG-NE 2.87Å
639	V	97	Very high	93.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-100.5	-51.7	173.5	172.2	0	0	0	0	110.5	L635 A636 N637 L673 A674 R697 I700 L701 A704	L635-V639 PolarHBondContact O-N 2.92Å; A636-V639 PolarHBondContact O-N 3.07Å; A636-V639 VanDerWaalsContact O-N 3.13Å; N637-V639 PolarHBondContact O-N 2.94Å; N637-V639 VanDerWaalsContact O-N 3.16Å; V639-L673 HydrophobicContact CG1-CD1 3.56Å; V639-L673 WeakPolarHBondContact O-CA 3.39Å; V639-A674 PolarHBondContact O-N 3.49Å; V639-R697 HydrophobicContact CG2-CG 4.05Å; V639-I700 HydrophobicContact CG1-CG2 4.31Å; V639-I700 HydrophobicContact CG2-CG2 4.33Å; V639-L701 HydrophobicContact CG1-CB 4.38Å; V639-L701 HydrophobicContact CG1-CD1 4.12Å; V639-L701 HydrophobicContact CG2-CB 4.42Å; V639-A704 HydrophobicContact CG1-CB 4.35Å
640	W	96.8	Very high	93.8	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.038	27%	0.274	C	S	.	.	H	α-helix	trans	-91	-4	-169.3	-66.3	96.3	0	0	0	115.4	L590 A636 K666 Y667 K670 F672 L673 A704	L590-W640 HydrophobicContact CD2-CH2 4.47Å; L590-W640 HydrophobicContact CD2-CZ2 3.7Å; A636-W640 WeakPolarHBondContact O-CB 3.31Å; A636-W640 VanDerWaalsContact O-CD1 3.29Å; A636-W640 PolarHBondContact O-N 2.88Å; W640-K666 HydrophobicContact CB-CG 4.35Å; W640-K666 WeakPolarHBondContact O-CG 3.36Å; W640-Y667 HydrophobicContact CB-CE1 4.02Å; W640-Y667 AromaticContact CD2-CD1 3.72Å; W640-Y667 HydrophobicContact CD2-CD1 3.72Å; W640-Y667 AromaticContact CD2-CE1 3.73Å; W640-Y667 HydrophobicContact CD2-CE1 3.73Å; W640-Y667 AromaticContact CE3-CD1 3.5Å; W640-Y667 HydrophobicContact CE3-CD1 3.5Å; W640-Y667 VanDerWaalsContact CE3-CD1 3.5Å; W640-Y667 AromaticContact CE3-CE1 3.97Å; W640-Y667 HydrophobicContact CE3-CE1 3.97Å; W640-Y667 HydrophobicContact CE3-CG 4.49Å; W640-Y667 HydrophobicContact CG-CD1 4.24Å; W640-Y667 AromaticContact CG-CE1 3.76Å; W640-Y667 HydrophobicContact CG-CE1 3.76Å; W640-Y667 HydrophobicContact CH2-CD1 4.4Å; W640-Y667 AromaticContact CZ3-CD1 3.87Å; W640-Y667 HydrophobicContact CZ3-CD1 3.87Å; W640-K670 HydrophobicContact CZ3-CG 4.39Å; W640-F672 CarbonylContact C-O 3.33Å; W640-F672 WeakPolarHBondContact O-CB 3.25Å; W640-L673 HydrophobicContact CD2-CD1 4.21Å; W640-L673 HydrophobicContact CE3-CD1 4.11Å; W640-L673 HydrophobicContact CZ3-CD1 4.42Å; W640-A704 HydrophobicContact CH2-CB 3.73Å; W640-A704 HydrophobicContact CZ2-CB 3.45Å; W640-A704 VanDerWaalsContact CZ2-CB 3.45Å; W640-A704 HydrophobicContact CZ3-CB 4.48Å
641	E	95.7	Very high	93.7	Very high	34 Å²	34	48.4 Å²	48.4	16%	0.159	28%	0.276	C	S	.	.	S	Bend	trans	-137.4	23.9	175.4	-56.2	-169.9	155.1	0	0	113.1	N637 S643 K649 W662 K666	N637-E641 HydrophobicContact CB-CB 4.1Å; N637-E641 HydrophobicContact CB-CG 4.17Å; N637-E641 VanDerWaalsContact CG-OE2 3.27Å; N637-E641 PolarHBondContact ND2-OE2 2.98Å; N637-E641 CarbonylContact O-C 3.59Å; N637-E641 WeakPolarHBondContact O-CA 3.21Å; N637-E641 PolarHBondContact O-N 3.36Å; N637-E641 WeakPolarHBondContact OD1-CG 3.49Å; E641-S643 PolarHBondContact O-N 3.42Å; E641-S643 VanDerWaalsContact O-N 3.15Å; E641-K649 WeakPolarHBondContact OE1-CE 3.29Å; E641-K649 IonicContact OE1-NZ 2.82Å; E641-K649 PolarHBondContact OE1-NZ 2.8Å; E641-K649 VanDerWaalsContact OE2-CE 3.31Å; E641-K649 WeakPolarHBondContact OE2-CE 3.29Å; E641-K649 IonicContact OE2-NZ 2.76Å; E641-K649 PolarHBondContact OE2-NZ 2.89Å; E641-W662 HydrophobicContact CG-CZ2 4.4Å; E641-W662 WeakPolarHBondContact OE1-CZ2 3.25Å; E641-W662 PolarHBondContact OE1-NE1 3.09Å; E641-K666 VanDerWaalsContact CD-NZ 3.27Å; E641-K666 HydrophobicContact CG-CD 3.91Å; E641-K666 WeakPolarHBondContact OE1-CD 3.4Å; E641-K666 VanDerWaalsContact OE1-CE 3.25Å; E641-K666 WeakPolarHBondContact OE1-CE 3.36Å; E641-K666 IonicContact OE1-NZ 3.73Å; E641-K666 PolarHBondContact OE1-NZ 3.36Å
642	E	91.9	Very high	93.6	Very high	97 Å²	97	51.4 Å²	51.4	45%	0.453	30%	0.295	S	S	.	.	S	Bend	trans	-62.4	-25.9	-174.6	-161.7	-177.6	-112.7	0	0	112.9	N637 F672 A674 P675 R697	N637-E642 PolarHBondContact O-N 2.91Å; E642-F672 PolarHBondContact N-O 3.46Å; E642-A674 HydrophobicContact CB-CB 3.75Å; E642-A674 VanDerWaalsContact CD-CB 3.47Å; E642-A674 HydrophobicContact CG-CB 4.22Å; E642-A674 WeakPolarHBondContact OE2-CA 3.19Å; E642-A674 WeakPolarHBondContact OE2-CB 3.37Å; E642-P675 WeakPolarHBondContact OE2-CD 3.48Å; E642-R697 IonicContact OE1-CZ 3.77Å; E642-R697 IonicContact OE1-NH2 3.78Å; E642-R697 PolarHBondContact OE1-NH2 3.09Å
643	S	90.5	Very high	93.4	Very high	72 Å²	72	58.6 Å²	58.6	50%	0.503	33%	0.333	S	S	.	.			trans	-143.8	112.4	168.1	-179.8	0	0	0	0	111.8	E641 Q645 F672	E641-S643 PolarHBondContact O-N 3.42Å; E641-S643 VanDerWaalsContact O-N 3.15Å; S643-Q645 PolarHBondContact O-N 3.02Å; S643-F672 VanDerWaalsContact O-CA 3.25Å; S643-F672 WeakPolarHBondContact O-CA 3.13Å; S643-F672 WeakPolarHBondContact O-CB 3.29Å
644	S	85.3	Confident	93.3	Very high	41 Å²	41	59.5 Å²	59.5	29%	0.287	34%	0.34	S	S	.	.			trans	-71.1	1.1	178.4	75	0	0	0	0	114.8	G646 R647 F672	S644-G646 PolarHBondContact O-N 2.92Å; S644-R647 VanDerWaalsContact CB-O 3.23Å; S644-R647 WeakPolarHBondContact CB-O 3.43Å; S644-R647 VanDerWaalsContact O-CB 3.31Å; S644-R647 WeakPolarHBondContact O-CB 3.28Å; S644-R647 WeakPolarHBondContact O-CG 3.37Å; S644-R647 PolarHBondContact O-N 3.25Å; S644-R647 PolarHBondContact OG-O 3.35Å; S644-F672 WeakPolarHBondContact O-CE1 3.31Å
645	Q	85.5	Confident	93.3	Very high	120 Å²	120	58.1 Å²	58.1	56%	0.561	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	36.5	-173.8	-55.5	-169.3	-6.7	0	0	113.4	S643 R647 L671	S643-Q645 PolarHBondContact O-N 3.02Å; Q645-R647 VanDerWaalsContact C-N 3.26Å; Q645-R647 PolarHBondContact O-N 2.91Å; Q645-L671 VanDerWaalsContact CD-O 3.31Å; Q645-L671 PolarHBondContact NE2-O 3.14Å
646	G	82.6	Confident	93.3	Very high	78 Å²	78	61 Å²	61	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	7.1	-178.2	0	0	0	0	0	114.9	S644	S644-G646 PolarHBondContact O-N 2.92Å
647	R	90.6	Very high	93.2	Very high	106 Å²	106	66.4 Å²	66.4	40%	0.4	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-83	141.1	172.2	-56.6	-169.8	-172.2	-170.5	2.2	110.5	S644 Q645 W662 L671 F672	S644-R647 VanDerWaalsContact CB-O 3.23Å; S644-R647 WeakPolarHBondContact CB-O 3.43Å; S644-R647 VanDerWaalsContact O-CB 3.31Å; S644-R647 WeakPolarHBondContact O-CB 3.28Å; S644-R647 WeakPolarHBondContact O-CG 3.37Å; S644-R647 PolarHBondContact O-N 3.25Å; S644-R647 PolarHBondContact OG-O 3.35Å; Q645-R647 VanDerWaalsContact C-N 3.26Å; Q645-R647 PolarHBondContact O-N 2.91Å; R647-W662 HydrophobicContact CB-CZ3 3.87Å; R647-L671 VanDerWaalsContact NH2-CD1 3.34Å; R647-F672 HydrophobicContact CB-CE1 4.38Å; R647-F672 HydrophobicContact CB-CZ 4.42Å; R647-F672 HydrophobicContact CG-CE1 4.35Å
648	T	90.1	Very high	93.2	Very high	130 Å²	130	69.2 Å²	69.2	80%	0.798	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-79.6	131.5	173.8	-42.9	0	0	0	0	110.1	W662	T648-W662 WeakPolarHBondContact O-CZ3 3.45Å
649	K	95.2	Very high	93.3	Very high	48 Å²	48	67.8 Å²	67.8	21%	0.209	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-66.4	136.5	170.7	-169.5	171.9	-172	174.2	0	109.7	V576 D577 E579 N637 E641 W662	V576-K649 WeakPolarHBondContact O-CE 3.29Å; V576-K649 PolarHBondContact O-NZ 2.96Å; D577-K649 WeakPolarHBondContact O-CE 3.44Å; E579-K649 WeakPolarHBondContact OE1-CE 3.31Å; E579-K649 IonicContact OE1-NZ 3.94Å; E579-K649 PolarHBondContact OE1-NZ 2.86Å; N637-K649 PolarHBondContact ND2-NZ 2.89Å; E641-K649 WeakPolarHBondContact OE1-CE 3.29Å; E641-K649 IonicContact OE1-NZ 2.82Å; E641-K649 PolarHBondContact OE1-NZ 2.8Å; E641-K649 VanDerWaalsContact OE2-CE 3.31Å; E641-K649 WeakPolarHBondContact OE2-CE 3.29Å; E641-K649 IonicContact OE2-NZ 2.76Å; E641-K649 PolarHBondContact OE2-NZ 2.89Å; K649-W662 HydrophobicContact CB-CH2 3.84Å; K649-W662 HydrophobicContact CB-CZ2 3.81Å; K649-W662 HydrophobicContact CB-CZ3 4.29Å; K649-W662 HydrophobicContact CD-CZ2 4.21Å; K649-W662 HydrophobicContact CG-CD2 4.47Å; K649-W662 HydrophobicContact CG-CH2 4.29Å; K649-W662 HydrophobicContact CG-CZ2 3.74Å
650	P	96.6	Very high	93.3	Very high	9 Å²	9	70 Å²	70	6%	0.058	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-64.4	149.6	178.3	27.2	-34.7	0	0	0	111	D577 C578 S654 K659 W662	D577-P650 WeakPolarHBondContact O-CG 3.25Å; C578-P650 VanDerWaalsContact CA-O 3.31Å; C578-P650 WeakPolarHBondContact CA-O 3.29Å; C578-P650 HydrophobicContact CB-CG 4.16Å; P650-S654 WeakPolarHBondContact CA-OG 3.47Å; P650-K659 HydrophobicContact CB-CG 3.92Å; P650-K659 HydrophobicContact CG-CG 4.15Å; P650-W662 HydrophobicContact CG-CB 3.85Å; P650-W662 HydrophobicContact CG-CG 3.93Å
651	S	93.8	Very high	93.3	Very high	55 Å²	55	76.7 Å²	76.7	39%	0.385	41%	0.408	S	S	.	.			trans	-92.5	-178.9	174.1	71.4	0	0	0	0	111.5	C578 D653 S654 K659	C578-S651 CarbonylContact O-C 3.57Å; S651-D653 PolarHBondContact O-N 3.36Å; S651-D653 PolarHBondContact OG-N 3.18Å; S651-S654 PolarHBondContact N-OG 3.35Å; S651-S654 PolarHBondContact O-N 2.97Å; S651-S654 PolarHBondContact OG-N 3.33Å; S651-S654 PolarHBondContact OG-OG 3.26Å; S651-K659 VanDerWaalsContact O-CE 3.25Å; S651-K659 WeakPolarHBondContact O-CE 3.39Å
652	V	93.3	Very high	93.4	Very high	71 Å²	71	75.7 Å²	75.7	43%	0.43	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-43.6	170.6	-170.5	0	0	0	0	111	C578 T580 K659	C578-V652 PolarHBondContact O-N 3.37Å; T580-V652 HydrophobicContact CG2-CG1 4.43Å; V652-K659 PolarHBondContact O-NZ 2.78Å
653	D	92.4	Very high	93.7	Very high	150 Å²	150	71.1 Å²	71.1	80%	0.802	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.9	-176	-50.9	-64.2	0	0	0	114.2	S651	S651-D653 PolarHBondContact O-N 3.36Å; S651-D653 PolarHBondContact OG-N 3.18Å
654	S	96.4	Very high	94	Very high	24 Å²	24	70.6 Å²	70.6	17%	0.168	37%	0.369	C	S	.	.	S	Bend	trans	-59.1	148.4	175.9	-72.2	0	0	0	0	111.9	P650 S651 K659	P650-S654 WeakPolarHBondContact CA-OG 3.47Å; S651-S654 PolarHBondContact N-OG 3.35Å; S651-S654 PolarHBondContact O-N 2.97Å; S651-S654 PolarHBondContact OG-N 3.33Å; S651-S654 PolarHBondContact OG-OG 3.26Å; S654-K659 WeakPolarHBondContact O-CE 3.39Å; S654-K659 PolarHBondContact O-NZ 2.91Å
655	T	97.2	Very high	94.6	Very high	70 Å²	70	68.7 Å²	68.7	43%	0.429	36%	0.355	S	S	.	.			trans	-64.4	156.8	179.3	61.2	0	0	0	0	112	E657 E658 K659	T655-E657 PolarHBondContact O-N 3.05Å; T655-E658 WeakPolarHBondContact CB-OE2 3.39Å; T655-E658 PolarHBondContact N-OE2 3.44Å; T655-E658 PolarHBondContact O-N 3.13Å; T655-E658 VanDerWaalsContact O-N 3.14Å; T655-E658 WeakPolarHBondContact OG1-CG 3.48Å; T655-E658 PolarHBondContact OG1-N 2.94Å; T655-E658 PolarHBondContact OG1-OE2 3.08Å; T655-K659 PolarHBondContact O-N 3.35Å
656	R	96.1	Very high	95.1	Very high	102 Å²	102	63 Å²	63	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-56.9	-37.1	175.6	-173.9	-170.4	173.1	100.1	6.5	111.3	E597 I601 K659 E660	E597-R656 WeakPolarHBondContact OE1-CA 3.27Å; E597-R656 WeakPolarHBondContact OE1-CB 3.26Å; I601-R656 HydrophobicContact CD1-CG 4.45Å; R656-K659 PolarHBondContact O-N 3.33Å; R656-E660 WeakPolarHBondContact O-CB 3.43Å; R656-E660 PolarHBondContact O-N 3.34Å
657	E	96.4	Very high	95.8	Very high	116 Å²	116	59.3 Å²	59.3	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-70.6	-31.6	-178.5	-65.8	63.6	-140.7	0	0	112	T655 R661	T655-E657 PolarHBondContact O-N 3.05Å; E657-R661 VanDerWaalsContact O-CB 3.29Å; E657-R661 WeakPolarHBondContact O-CB 3.44Å; E657-R661 PolarHBondContact O-N 2.93Å; E657-R661 VanDerWaalsContact O-N 3.11Å
658	E	97	Very high	96	Very high	84 Å²	84	58.3 Å²	58.3	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-73.1	-44.7	170.2	-71.9	163.6	134.2	0	0	111.6	T655 E660 R661 W662	T655-E658 WeakPolarHBondContact CB-OE2 3.39Å; T655-E658 PolarHBondContact N-OE2 3.44Å; T655-E658 PolarHBondContact O-N 3.13Å; T655-E658 VanDerWaalsContact O-N 3.14Å; T655-E658 WeakPolarHBondContact OG1-CG 3.48Å; T655-E658 PolarHBondContact OG1-N 2.94Å; T655-E658 PolarHBondContact OG1-OE2 3.08Å; E658-E660 VanDerWaalsContact C-N 3.33Å; E658-E660 PolarHBondContact O-N 3.18Å; E658-R661 PolarHBondContact O-N 3.47Å; E658-W662 PolarHBondContact O-N 2.95Å
659	K	97.9	Very high	96.3	Very high	7 Å²	7	57 Å²	57	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-42.7	174.4	-71.5	162.1	175.8	157.6	0	111.3	C578 E597 I601 P650 S651 V652 S654 T655 R656 W662 I663	C578-K659 HydrophobicContact CB-CG 4.33Å; E597-K659 IonicContact OE1-NZ 3.33Å; E597-K659 WeakPolarHBondContact OE2-CD 3.33Å; E597-K659 WeakPolarHBondContact OE2-CE 3.23Å; E597-K659 IonicContact OE2-NZ 3.92Å; E597-K659 PolarHBondContact OE2-NZ 3.47Å; I601-K659 HydrophobicContact CD1-CB 3.8Å; P650-K659 HydrophobicContact CB-CG 3.92Å; P650-K659 HydrophobicContact CG-CG 4.15Å; S651-K659 VanDerWaalsContact O-CE 3.25Å; S651-K659 WeakPolarHBondContact O-CE 3.39Å; V652-K659 PolarHBondContact O-NZ 2.78Å; S654-K659 WeakPolarHBondContact O-CE 3.39Å; S654-K659 PolarHBondContact O-NZ 2.91Å; T655-K659 PolarHBondContact O-N 3.35Å; R656-K659 PolarHBondContact O-N 3.33Å; K659-W662 PolarHBondContact O-N 3.28Å; K659-I663 WeakPolarHBondContact O-CB 3.37Å; K659-I663 WeakPolarHBondContact O-CD1 3.18Å; K659-I663 VanDerWaalsContact O-CG1 3.31Å; K659-I663 WeakPolarHBondContact O-CG1 3.34Å; K659-I663 PolarHBondContact O-N 3.3Å
660	E	97.8	Very high	96.3	Very high	45 Å²	45	58.5 Å²	58.5	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-39.1	176.2	-179.6	156.6	178.4	0	0	112.3	I601 R656 E658 W662 I663 R664	I601-E660 HydrophobicContact CD1-CB 4.02Å; I601-E660 HydrophobicContact CG1-CB 4.25Å; I601-E660 HydrophobicContact CG2-CB 3.91Å; I601-E660 HydrophobicContact CG2-CG 3.83Å; R656-E660 WeakPolarHBondContact O-CB 3.43Å; R656-E660 PolarHBondContact O-N 3.34Å; E658-E660 VanDerWaalsContact C-N 3.33Å; E658-E660 PolarHBondContact O-N 3.18Å; E660-W662 VanDerWaalsContact C-N 3.33Å; E660-W662 PolarHBondContact O-N 3.02Å; E660-I663 PolarHBondContact O-N 3.02Å; E660-R664 HydrophobicContact CG-CG 4.27Å; E660-R664 WeakPolarHBondContact O-CB 3.36Å; E660-R664 WeakPolarHBondContact O-CG 3.46Å; E660-R664 PolarHBondContact O-N 3.15Å; E660-R664 IonicContact OE1-CZ 2.87Å; E660-R664 VanDerWaalsContact OE1-CZ 3.24Å; E660-R664 IonicContact OE1-NE 3.29Å; E660-R664 PolarHBondContact OE1-NE 3.08Å; E660-R664 IonicContact OE1-NH2 3.77Å; E660-R664 PolarHBondContact OE1-NH2 3.09Å
661	R	97	Very high	96.2	Very high	151 Å²	151	60.3 Å²	60.3	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-63.8	-36.5	175.2	-166.1	-178.1	-55	107.5	8.9	112.4	E657 E658 A665	E657-R661 VanDerWaalsContact O-CB 3.29Å; E657-R661 WeakPolarHBondContact O-CB 3.44Å; E657-R661 PolarHBondContact O-N 2.93Å; E657-R661 VanDerWaalsContact O-N 3.11Å; E658-R661 PolarHBondContact O-N 3.47Å; R661-A665 VanDerWaalsContact O-CB 3.29Å; R661-A665 WeakPolarHBondContact O-CB 3.42Å; R661-A665 PolarHBondContact O-N 2.71Å
662	W	97.7	Very high	96.3	Very high	14 Å²	14	57.7 Å²	57.7	5%	0.053	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-53.9	172.9	-177.2	-98.1	0	0	0	111.8	E641 R647 T648 K649 P650 E658 K659 E660 R664 A665 K666 F672	E641-W662 HydrophobicContact CG-CZ2 4.4Å; E641-W662 WeakPolarHBondContact OE1-CZ2 3.25Å; E641-W662 PolarHBondContact OE1-NE1 3.09Å; R647-W662 HydrophobicContact CB-CZ3 3.87Å; T648-W662 WeakPolarHBondContact O-CZ3 3.45Å; K649-W662 HydrophobicContact CB-CH2 3.84Å; K649-W662 HydrophobicContact CB-CZ2 3.81Å; K649-W662 HydrophobicContact CB-CZ3 4.29Å; K649-W662 HydrophobicContact CD-CZ2 4.21Å; K649-W662 HydrophobicContact CG-CD2 4.47Å; K649-W662 HydrophobicContact CG-CH2 4.29Å; K649-W662 HydrophobicContact CG-CZ2 3.74Å; P650-W662 HydrophobicContact CG-CB 3.85Å; P650-W662 HydrophobicContact CG-CG 3.93Å; E658-W662 PolarHBondContact O-N 2.95Å; K659-W662 PolarHBondContact O-N 3.28Å; E660-W662 VanDerWaalsContact C-N 3.33Å; E660-W662 PolarHBondContact O-N 3.02Å; W662-R664 VanDerWaalsContact C-N 3.3Å; W662-R664 PolarHBondContact O-N 3.47Å; W662-A665 WeakPolarHBondContact O-CB 3.38Å; W662-A665 PolarHBondContact O-N 3.37Å; W662-A665 VanDerWaalsContact O-N 3.09Å; W662-K666 VanDerWaalsContact O-CB 3.29Å; W662-K666 WeakPolarHBondContact O-CB 3.43Å; W662-K666 PolarHBondContact O-N 2.86Å; W662-F672 AromaticContact CD2-CE2 3.72Å; W662-F672 HydrophobicContact CD2-CE2 3.72Å; W662-F672 HydrophobicContact CD2-CZ 4.27Å; W662-F672 AromaticContact CE2-CE2 3.74Å; W662-F672 AromaticContact CE3-CE2 3.74Å; W662-F672 HydrophobicContact CE3-CE2 3.74Å; W662-F672 AromaticContact CE3-CZ 3.82Å; W662-F672 HydrophobicContact CE3-CZ 3.82Å; W662-F672 HydrophobicContact CG-CE2 4.44Å; W662-F672 HydrophobicContact CH2-CD2 4.25Å; W662-F672 AromaticContact CH2-CE2 3.86Å; W662-F672 HydrophobicContact CH2-CE2 3.86Å; W662-F672 HydrophobicContact CH2-CZ 4.12Å; W662-F672 HydrophobicContact CZ2-CD2 4.04Å; W662-F672 AromaticContact CZ2-CE2 3.82Å; W662-F672 HydrophobicContact CZ2-CE2 3.82Å; W662-F672 AromaticContact CZ3-CE2 3.81Å; W662-F672 HydrophobicContact CZ3-CE2 3.81Å; W662-F672 AromaticContact CZ3-CZ 3.74Å; W662-F672 HydrophobicContact CZ3-CZ 3.74Å
663	I	98.2	Very high	96.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-38.6	-176.7	-74.3	165	0	0	0	111.7	D577 C598 I601 L605 K659 E660 K666 Y667	D577-I663 HydrophobicContact CB-CD1 4.07Å; D577-I663 HydrophobicContact CB-CG1 3.87Å; C598-I663 HydrophobicContact CB-CD1 3.9Å; I601-I663 HydrophobicContact CB-CD1 4.01Å; I601-I663 HydrophobicContact CD1-CD1 3.93Å; I601-I663 HydrophobicContact CG2-CB 3.98Å; I601-I663 HydrophobicContact CG2-CD1 3.95Å; I601-I663 HydrophobicContact CG2-CG2 3.66Å; L605-I663 HydrophobicContact CD1-CG2 3.85Å; L605-I663 HydrophobicContact CG-CG2 4.43Å; K659-I663 WeakPolarHBondContact O-CB 3.37Å; K659-I663 WeakPolarHBondContact O-CD1 3.18Å; K659-I663 VanDerWaalsContact O-CG1 3.31Å; K659-I663 WeakPolarHBondContact O-CG1 3.34Å; K659-I663 PolarHBondContact O-N 3.3Å; E660-I663 PolarHBondContact O-N 3.02Å; I663-K666 PolarHBondContact O-N 3.23Å; I663-Y667 HydrophobicContact CG2-CD2 4.12Å; I663-Y667 WeakPolarHBondContact O-CD2 3.46Å; I663-Y667 PolarHBondContact O-N 2.93Å
664	R	97.2	Very high	96.6	Very high	62 Å²	62	48.1 Å²	48.1	23%	0.234	22%	0.219	C	C	.	.	I	π-helix	trans	-68.8	-43.9	173.1	-70.2	-176.6	178.8	-76.8	-4.1	112.8	L605 E660 W662 K666 E668 Q669	L605-R664 HydrophobicContact CD2-CG 4.01Å; E660-R664 HydrophobicContact CG-CG 4.27Å; E660-R664 WeakPolarHBondContact O-CB 3.36Å; E660-R664 WeakPolarHBondContact O-CG 3.46Å; E660-R664 PolarHBondContact O-N 3.15Å; E660-R664 IonicContact OE1-CZ 2.87Å; E660-R664 VanDerWaalsContact OE1-CZ 3.24Å; E660-R664 IonicContact OE1-NE 3.29Å; E660-R664 PolarHBondContact OE1-NE 3.08Å; E660-R664 IonicContact OE1-NH2 3.77Å; E660-R664 PolarHBondContact OE1-NH2 3.09Å; W662-R664 VanDerWaalsContact C-N 3.3Å; W662-R664 PolarHBondContact O-N 3.47Å; R664-K666 PolarHBondContact O-N 3.01Å; R664-E668 HydrophobicContact CB-CB 4.47Å; R664-E668 WeakPolarHBondContact CB-OE2 3.38Å; R664-E668 WeakPolarHBondContact CD-OE2 3.47Å; R664-E668 VanDerWaalsContact CG-OE2 3.23Å; R664-E668 WeakPolarHBondContact CG-OE2 3.34Å; R664-E668 IonicContact CZ-OE2 2.72Å; R664-E668 IonicContact NE-OE2 3.39Å; R664-E668 IonicContact NH1-OE1 2.78Å; R664-E668 PolarHBondContact NH1-OE1 2.93Å; R664-E668 IonicContact NH1-OE2 2.69Å; R664-E668 PolarHBondContact NH1-OE2 2.97Å; R664-E668 WeakPolarHBondContact O-CB 3.48Å; R664-E668 PolarHBondContact O-N 3.33Å; R664-E668 VanDerWaalsContact O-N 3.11Å; R664-Q669 PolarHBondContact O-N 2.75Å
665	A	96.8	Very high	96.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-58.2	-39	174.4	0	0	0	0	0	112	R661 W662 K670 L671 F672	R661-A665 VanDerWaalsContact O-CB 3.29Å; R661-A665 WeakPolarHBondContact O-CB 3.42Å; R661-A665 PolarHBondContact O-N 2.71Å; W662-A665 WeakPolarHBondContact O-CB 3.38Å; W662-A665 PolarHBondContact O-N 3.37Å; W662-A665 VanDerWaalsContact O-N 3.09Å; A665-K670 PolarHBondContact O-N 3.46Å; A665-L671 HydrophobicContact CB-CD1 4.11Å; A665-L671 WeakPolarHBondContact O-CB 3.31Å; A665-L671 PolarHBondContact O-N 3.08Å; A665-F672 HydrophobicContact CB-CE1 4.35Å; A665-F672 HydrophobicContact CB-CE2 3.86Å; A665-F672 HydrophobicContact CB-CZ 3.56Å
666	K	97.3	Very high	96.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-70.9	-56.2	-178.4	-174.6	171.1	176.8	-178.4	0	113.7	V576 D577 N637 W640 E641 W662 I663 R664 K670 F672	V576-K666 PolarHBondContact O-NZ 3.43Å; V576-K666 VanDerWaalsContact O-NZ 3.13Å; D577-K666 IonicContact OD1-NZ 3.82Å; D577-K666 PolarHBondContact OD1-NZ 2.93Å; N637-K666 PolarHBondContact OD1-NZ 2.95Å; W640-K666 HydrophobicContact CB-CG 4.35Å; W640-K666 WeakPolarHBondContact O-CG 3.36Å; E641-K666 VanDerWaalsContact CD-NZ 3.27Å; E641-K666 HydrophobicContact CG-CD 3.91Å; E641-K666 WeakPolarHBondContact OE1-CD 3.4Å; E641-K666 VanDerWaalsContact OE1-CE 3.25Å; E641-K666 WeakPolarHBondContact OE1-CE 3.36Å; E641-K666 IonicContact OE1-NZ 3.73Å; E641-K666 PolarHBondContact OE1-NZ 3.36Å; W662-K666 VanDerWaalsContact O-CB 3.29Å; W662-K666 WeakPolarHBondContact O-CB 3.43Å; W662-K666 PolarHBondContact O-N 2.86Å; I663-K666 PolarHBondContact O-N 3.23Å; R664-K666 PolarHBondContact O-N 3.01Å; K666-K670 WeakPolarHBondContact O-CA 3.22Å; K666-F672 HydrophobicContact CB-CD2 3.75Å; K666-F672 HydrophobicContact CB-CE2 3.97Å; K666-F672 HydrophobicContact CG-CD2 4.12Å
667	Y	97.2	Very high	95.3	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.008	24%	0.237	C	C	.	.	I	π-helix	trans	-105.5	-35.7	-168.3	-60.3	-70.5	0	0	0	114.8	D577 L590 H602 W640 I663	D577-Y667 WeakPolarHBondContact OD1-CE2 3.43Å; D577-Y667 PolarHBondContact OD1-OH 3.04Å; L590-Y667 HydrophobicContact CD1-CD1 3.82Å; L590-Y667 HydrophobicContact CD1-CE1 3.49Å; L590-Y667 VanDerWaalsContact CD1-CE1 3.49Å; L590-Y667 HydrophobicContact CD1-CE2 4.45Å; L590-Y667 HydrophobicContact CD1-CG 4.43Å; L590-Y667 HydrophobicContact CD2-CD1 4.08Å; L590-Y667 HydrophobicContact CD2-CE1 3.99Å; L590-Y667 HydrophobicContact CG-CE1 4.29Å; H602-Y667 AromaticContact CE1-CD2 3.48Å; H602-Y667 VanDerWaalsContact CE1-CD2 3.48Å; H602-Y667 WeakPolarHBondContact CE1-CD2 3.37Å; H602-Y667 AromaticContact CE1-CE2 3.18Å; H602-Y667 WeakPolarHBondContact CE1-CE2 3.39Å; H602-Y667 AromaticContact CE1-CZ 3.78Å; H602-Y667 AromaticContact NE2-CD2 3.7Å; H602-Y667 AromaticContact NE2-CE2 3.3Å; H602-Y667 VanDerWaalsContact NE2-CE2 3.3Å; H602-Y667 WeakPolarHBondContact NE2-CE2 3.23Å; W640-Y667 HydrophobicContact CB-CE1 4.02Å; W640-Y667 AromaticContact CD2-CD1 3.72Å; W640-Y667 HydrophobicContact CD2-CD1 3.72Å; W640-Y667 AromaticContact CD2-CE1 3.73Å; W640-Y667 HydrophobicContact CD2-CE1 3.73Å; W640-Y667 AromaticContact CE3-CD1 3.5Å; W640-Y667 HydrophobicContact CE3-CD1 3.5Å; W640-Y667 VanDerWaalsContact CE3-CD1 3.5Å; W640-Y667 AromaticContact CE3-CE1 3.97Å; W640-Y667 HydrophobicContact CE3-CE1 3.97Å; W640-Y667 HydrophobicContact CE3-CG 4.49Å; W640-Y667 HydrophobicContact CG-CD1 4.24Å; W640-Y667 AromaticContact CG-CE1 3.76Å; W640-Y667 HydrophobicContact CG-CE1 3.76Å; W640-Y667 HydrophobicContact CH2-CD1 4.4Å; W640-Y667 AromaticContact CZ3-CD1 3.87Å; W640-Y667 HydrophobicContact CZ3-CD1 3.87Å; I663-Y667 HydrophobicContact CG2-CD2 4.12Å; I663-Y667 WeakPolarHBondContact O-CD2 3.46Å; I663-Y667 PolarHBondContact O-N 2.93Å
668	E	95.6	Very high	94.2	Very high	84 Å²	84	50.6 Å²	50.6	39%	0.393	26%	0.257	S	S	.	.	I	π-helix	trans	-84.3	-40	-178.5	179.5	177.4	-124.6	0	0	111.2	L605 L609 R664	L605-E668 HydrophobicContact CD2-CB 4.39Å; L609-E668 HydrophobicContact CD1-CB 4.08Å; L609-E668 HydrophobicContact CD1-CG 4.33Å; R664-E668 HydrophobicContact CB-CB 4.47Å; R664-E668 WeakPolarHBondContact CB-OE2 3.38Å; R664-E668 WeakPolarHBondContact CD-OE2 3.47Å; R664-E668 VanDerWaalsContact CG-OE2 3.23Å; R664-E668 WeakPolarHBondContact CG-OE2 3.34Å; R664-E668 IonicContact CZ-OE2 2.72Å; R664-E668 IonicContact NE-OE2 3.39Å; R664-E668 IonicContact NH1-OE1 2.78Å; R664-E668 PolarHBondContact NH1-OE1 2.93Å; R664-E668 IonicContact NH1-OE2 2.69Å; R664-E668 PolarHBondContact NH1-OE2 2.97Å; R664-E668 WeakPolarHBondContact O-CB 3.48Å; R664-E668 PolarHBondContact O-N 3.33Å; R664-E668 VanDerWaalsContact O-N 3.11Å
669	Q	95.3	Very high	93.2	Very high	102 Å²	102	49.8 Å²	49.8	48%	0.477	26%	0.257	S	S	.	.	S	Bend	trans	-98.8	-9.2	-179.5	-58.1	169.2	13.1	0	0	113.2	R664 L671	R664-Q669 PolarHBondContact O-N 2.75Å; Q669-L671 HydrophobicContact CB-CD1 4.36Å; Q669-L671 HydrophobicContact CB-CD2 4.27Å; Q669-L671 HydrophobicContact CB-CG 3.82Å; Q669-L671 PolarHBondContact O-N 2.95Å; Q669-L671 VanDerWaalsContact O-N 3.09Å
670	K	95.5	Very high	92.4	Very high	81 Å²	81	59.4 Å²	59.4	35%	0.352	30%	0.302	S	S	.	.			trans	53.3	24.7	179.3	-53.4	-175.7	-176.2	-175.4	0	115	W640 A665 K666 F672 L673 A704 H705	W640-K670 HydrophobicContact CZ3-CG 4.39Å; A665-K670 PolarHBondContact O-N 3.46Å; K666-K670 WeakPolarHBondContact O-CA 3.22Å; K670-F672 VanDerWaalsContact C-N 3.26Å; K670-F672 PolarHBondContact O-N 3.35Å; K670-L673 HydrophobicContact CB-CB 4.18Å; K670-L673 HydrophobicContact CB-CD2 4.11Å; K670-L673 HydrophobicContact CD-CD2 4Å; K670-L673 HydrophobicContact CG-CD2 4.39Å; K670-L673 VanDerWaalsContact O-CB 3.28Å; K670-L673 WeakPolarHBondContact O-CB 3.22Å; K670-L673 PolarHBondContact O-N 2.82Å; K670-A704 VanDerWaalsContact CE-O 3.28Å; K670-A704 WeakPolarHBondContact CE-O 3.44Å; K670-A704 PolarHBondContact NZ-O 3.27Å; K670-H705 PolarHBondContact NZ-O 3.06Å
671	L	95.1	Very high	91.8	Very high	47 Å²	47	61 Å²	61	25%	0.246	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.4	-170.6	-62	-175.8	0	0	0	113.9	Q645 R647 A665 Q669	Q645-L671 VanDerWaalsContact CD-O 3.31Å; Q645-L671 PolarHBondContact NE2-O 3.14Å; R647-L671 VanDerWaalsContact NH2-CD1 3.34Å; A665-L671 HydrophobicContact CB-CD1 4.11Å; A665-L671 WeakPolarHBondContact O-CB 3.31Å; A665-L671 PolarHBondContact O-N 3.08Å; Q669-L671 HydrophobicContact CB-CD1 4.36Å; Q669-L671 HydrophobicContact CB-CD2 4.27Å; Q669-L671 HydrophobicContact CB-CG 3.82Å; Q669-L671 PolarHBondContact O-N 2.95Å; Q669-L671 VanDerWaalsContact O-N 3.09Å
672	F	95.9	Very high	91.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	5.6	-178.2	-38.4	-43.7	0	0	0	113.3	W640 E642 S643 S644 R647 W662 A665 K666 K670 A674	W640-F672 CarbonylContact C-O 3.33Å; W640-F672 WeakPolarHBondContact O-CB 3.25Å; E642-F672 PolarHBondContact N-O 3.46Å; S643-F672 VanDerWaalsContact O-CA 3.25Å; S643-F672 WeakPolarHBondContact O-CA 3.13Å; S643-F672 WeakPolarHBondContact O-CB 3.29Å; S644-F672 WeakPolarHBondContact O-CE1 3.31Å; R647-F672 HydrophobicContact CB-CE1 4.38Å; R647-F672 HydrophobicContact CB-CZ 4.42Å; R647-F672 HydrophobicContact CG-CE1 4.35Å; W662-F672 AromaticContact CD2-CE2 3.72Å; W662-F672 HydrophobicContact CD2-CE2 3.72Å; W662-F672 HydrophobicContact CD2-CZ 4.27Å; W662-F672 AromaticContact CE2-CE2 3.74Å; W662-F672 AromaticContact CE3-CE2 3.74Å; W662-F672 HydrophobicContact CE3-CE2 3.74Å; W662-F672 AromaticContact CE3-CZ 3.82Å; W662-F672 HydrophobicContact CE3-CZ 3.82Å; W662-F672 HydrophobicContact CG-CE2 4.44Å; W662-F672 HydrophobicContact CH2-CD2 4.25Å; W662-F672 AromaticContact CH2-CE2 3.86Å; W662-F672 HydrophobicContact CH2-CE2 3.86Å; W662-F672 HydrophobicContact CH2-CZ 4.12Å; W662-F672 HydrophobicContact CZ2-CD2 4.04Å; W662-F672 AromaticContact CZ2-CE2 3.82Å; W662-F672 HydrophobicContact CZ2-CE2 3.82Å; W662-F672 AromaticContact CZ3-CE2 3.81Å; W662-F672 HydrophobicContact CZ3-CE2 3.81Å; W662-F672 AromaticContact CZ3-CZ 3.74Å; W662-F672 HydrophobicContact CZ3-CZ 3.74Å; A665-F672 HydrophobicContact CB-CE1 4.35Å; A665-F672 HydrophobicContact CB-CE2 3.86Å; A665-F672 HydrophobicContact CB-CZ 3.56Å; K666-F672 HydrophobicContact CB-CD2 3.75Å; K666-F672 HydrophobicContact CB-CE2 3.97Å; K666-F672 HydrophobicContact CG-CD2 4.12Å; K670-F672 VanDerWaalsContact C-N 3.26Å; K670-F672 PolarHBondContact O-N 3.35Å; F672-A674 PolarHBondContact O-N 2.81Å
673	L	95.9	Very high	91.2	Very high	18 Å²	18	56 Å²	56	9%	0.094	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.6	129.2	-179.2	-176.5	62.4	0	0	0	109.9	V639 W640 K670 L701 A704	V639-L673 HydrophobicContact CG1-CD1 3.56Å; V639-L673 WeakPolarHBondContact O-CA 3.39Å; W640-L673 HydrophobicContact CD2-CD1 4.21Å; W640-L673 HydrophobicContact CE3-CD1 4.11Å; W640-L673 HydrophobicContact CZ3-CD1 4.42Å; K670-L673 HydrophobicContact CB-CB 4.18Å; K670-L673 HydrophobicContact CB-CD2 4.11Å; K670-L673 HydrophobicContact CD-CD2 4Å; K670-L673 HydrophobicContact CG-CD2 4.39Å; K670-L673 VanDerWaalsContact O-CB 3.28Å; K670-L673 WeakPolarHBondContact O-CB 3.22Å; K670-L673 PolarHBondContact O-N 2.82Å; L673-L701 HydrophobicContact CD1-CD1 4.34Å; L673-A704 HydrophobicContact CD1-CB 3.6Å; L673-A704 HydrophobicContact CD2-CB 3.98Å; L673-A704 HydrophobicContact CG-CB 4.46Å
674	A	95.4	Very high	90.9	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-49.2	136.7	176.2	0	0	0	0	0	111.5	V639 E642 F672 L701 H705	V639-A674 PolarHBondContact O-N 3.49Å; E642-A674 HydrophobicContact CB-CB 3.75Å; E642-A674 VanDerWaalsContact CD-CB 3.47Å; E642-A674 HydrophobicContact CG-CB 4.22Å; E642-A674 WeakPolarHBondContact OE2-CA 3.19Å; E642-A674 WeakPolarHBondContact OE2-CB 3.37Å; F672-A674 PolarHBondContact O-N 2.81Å; A674-L701 HydrophobicContact CB-CD1 3.83Å; A674-L701 WeakPolarHBondContact O-CD1 3.5Å; A674-H705 PolarHBondContact O-NE2 2.99Å
675	P	92.7	Very high	90.7	Very high	95 Å²	95	56.9 Å²	56.9	62%	0.617	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-61.9	149.3	173.2	26.2	-34.9	0	0	0	111.6	E642	E642-P675 WeakPolarHBondContact OE2-CD 3.48Å
676	L	89.6	Confident	90.5	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.366	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-65.1	143.6	171.3	-68.4	176.1	0	0	0	110.7	C678 L683 L701 L702 H705	L676-C678 PolarHBondContact O-N 2.97Å; L676-L683 HydrophobicContact CD1-CD1 4.06Å; L676-L701 HydrophobicContact CD2-CG 4.2Å; L676-L702 HydrophobicContact CD2-CD2 3.74Å; L676-L702 HydrophobicContact CD2-CG 4.49Å; L676-H705 HydrophobicContact CD1-CB 4.21Å; L676-H705 HydrophobicContact CD2-CB 4.13Å; L676-H705 WeakPolarHBondContact CD2-CD2 3.21Å; L676-H705 HydrophobicContact CG-CB 4.35Å
677	P	80.6	Confident	90.4	Very high	59 Å²	59	58.1 Å²	58.1	38%	0.383	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-58.5	136.8	169.2	-19.1	31	0	0	0	110.2	T679	P677-T679 HydrophobicContact CB-CG2 4.45Å; P677-T679 PolarHBondContact O-N 3.11Å
678	C	72.4	Confident	90.3	Very high	141 Å²	141	58.6 Å²	58.6	95%	0.953	32%	0.316	S	S	*	.			trans	-70.7	103.2	178.4	-168.5	0	0	0	0	109.9	L676	L676-C678 PolarHBondContact O-N 2.97Å
679	T	76.5	Confident	90.2	Very high	66 Å²	66	61.7 Å²	61.7	41%	0.405	32%	0.324	S	S	.	.			trans	-132.5	146.6	-179.9	55.6	0	0	0	0	110.9	P677 L681 H686	P677-T679 HydrophobicContact CB-CG2 4.45Å; P677-T679 PolarHBondContact O-N 3.11Å; T679-L681 PolarHBondContact O-N 2.91Å; T679-H686 PolarHBondContact OG1-ND1 3.28Å
680	E	81.3	Confident	90.2	Very high	210 Å²	210	57 Å²	57	98%	0.981	30%	0.303	S	S	*	.	S	Bend	trans	-72.6	-6.9	175.8	-58.3	-176.4	155.6	0	0	113.7
681	L	84.8	Confident	90.2	Very high	78 Å²	78	53.1 Å²	53.1	41%	0.408	29%	0.286	S	S	.	.	S	Bend	trans	-83.4	152.9	178.9	-59	179.4	0	0	0	112	T679 Q685	T679-L681 PolarHBondContact O-N 2.91Å; L681-Q685 HydrophobicContact CB-CB 4.09Å
682	S	90.2	Very high	90.1	Very high	40 Å²	40	52.3 Å²	52.3	28%	0.28	29%	0.286	S	S	.	.			trans	-64.5	161.8	167.9	69.7	0	0	0	0	111.9	G684 Q685 H686 E713	S682-G684 VanDerWaalsContact C-N 3.28Å; S682-G684 PolarHBondContact O-N 2.92Å; S682-Q685 PolarHBondContact O-N 3.14Å; S682-Q685 VanDerWaalsContact OG-CB 3.28Å; S682-Q685 WeakPolarHBondContact OG-CB 3.48Å; S682-Q685 WeakPolarHBondContact OG-CG 3.44Å; S682-Q685 PolarHBondContact OG-N 2.88Å; S682-Q685 PolarHBondContact OG-NE2 3.44Å; S682-H686 WeakPolarHBondContact O-CB 3.43Å; S682-H686 PolarHBondContact O-N 3.07Å; S682-E713 WeakPolarHBondContact CB-OE2 3.36Å; S682-E713 VanDerWaalsContact OG-CD 3.24Å; S682-E713 PolarHBondContact OG-OE1 2.93Å; S682-E713 PolarHBondContact OG-OE2 3Å
683	L	92.7	Very high	90.1	Very high	21 Å²	21	57.3 Å²	57.3	11%	0.11	31%	0.312	C	S	.	.	H	α-helix	trans	-58.1	-41.1	174.9	-173.7	149.8	0	0	0	111.7	L676 H686 L687 L702 H705 E710	L676-L683 HydrophobicContact CD1-CD1 4.06Å; L683-H686 PolarHBondContact O-N 3.32Å; L683-L687 WeakPolarHBondContact O-CB 3.34Å; L683-L687 PolarHBondContact O-N 3.01Å; L683-L702 HydrophobicContact CG-CD2 3.95Å; L683-H705 HydrophobicContact CD1-CB 3.81Å; L683-E710 HydrophobicContact CD2-CB 3.92Å
684	G	91.9	Very high	90	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-67.9	-41.9	177.6	0	0	0	0	0	113.1	S682 H686 L687 L688 E710 E713	S682-G684 VanDerWaalsContact C-N 3.28Å; S682-G684 PolarHBondContact O-N 2.92Å; G684-H686 VanDerWaalsContact C-N 3.35Å; G684-H686 PolarHBondContact O-N 3.07Å; G684-L687 PolarHBondContact O-N 2.62Å; G684-L687 VanDerWaalsContact O-N 3.16Å; G684-L688 VanDerWaalsContact O-CG 3.24Å; G684-L688 WeakPolarHBondContact O-CG 3.26Å; G684-L688 PolarHBondContact O-N 3.01Å; G684-E710 VanDerWaalsContact CA-O 3.29Å; G684-E710 WeakPolarHBondContact CA-O 3.37Å; G684-E713 VanDerWaalsContact CA-OE2 3.23Å; G684-E713 WeakPolarHBondContact CA-OE2 3.49Å; G684-E713 PolarHBondContact N-OE2 2.78Å
685	Q	91.7	Very high	90.1	Very high	79 Å²	79	63 Å²	63	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-40.3	173.2	-72.5	157.8	30.8	0	0	112.3	L681 S682 L687 L688 R689 E713	L681-Q685 HydrophobicContact CB-CB 4.09Å; S682-Q685 PolarHBondContact O-N 3.14Å; S682-Q685 VanDerWaalsContact OG-CB 3.28Å; S682-Q685 WeakPolarHBondContact OG-CB 3.48Å; S682-Q685 WeakPolarHBondContact OG-CG 3.44Å; S682-Q685 PolarHBondContact OG-N 2.88Å; S682-Q685 PolarHBondContact OG-NE2 3.44Å; Q685-L687 VanDerWaalsContact C-N 3.33Å; Q685-L688 PolarHBondContact O-N 2.95Å; Q685-R689 PolarHBondContact O-N 3.45Å; Q685-E713 WeakPolarHBondContact CG-OE1 3.26Å; Q685-E713 PolarHBondContact N-OE2 3.48Å; Q685-E713 PolarHBondContact NE2-OE1 3.48Å
686	H	93.3	Very high	90.2	Very high	25 Å²	25	60 Å²	60	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-39	173.7	-154.1	150.5	0	0	0	110.7	T679 S682 L683 G684 R689 A690 L702	T679-H686 PolarHBondContact OG1-ND1 3.28Å; S682-H686 WeakPolarHBondContact O-CB 3.43Å; S682-H686 PolarHBondContact O-N 3.07Å; L683-H686 PolarHBondContact O-N 3.32Å; G684-H686 VanDerWaalsContact C-N 3.35Å; G684-H686 PolarHBondContact O-N 3.07Å; H686-R689 PolarHBondContact O-N 3.21Å; H686-A690 WeakPolarHBondContact O-CB 3.48Å; H686-A690 PolarHBondContact O-N 2.92Å; H686-L702 HydrophobicContact CB-CD1 3.9Å; H686-L702 HydrophobicContact CB-CD2 3.94Å
687	L	95.5	Very high	90.5	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-41.1	177.7	-180	65.2	0	0	0	112.1	L683 G684 Q685 R689 A690 T691 A699 L702 L703 V711 A723 L739	L683-L687 WeakPolarHBondContact O-CB 3.34Å; L683-L687 PolarHBondContact O-N 3.01Å; G684-L687 PolarHBondContact O-N 2.62Å; G684-L687 VanDerWaalsContact O-N 3.16Å; Q685-L687 VanDerWaalsContact C-N 3.33Å; L687-R689 VanDerWaalsContact C-N 3.3Å; L687-R689 PolarHBondContact O-N 3.29Å; L687-A690 PolarHBondContact O-N 3.44Å; L687-T691 VanDerWaalsContact O-CB 3.29Å; L687-T691 WeakPolarHBondContact O-CB 3.35Å; L687-T691 PolarHBondContact O-N 3.49Å; L687-T691 PolarHBondContact O-OG1 3.16Å; L687-A699 HydrophobicContact CD1-CB 4.36Å; L687-L702 HydrophobicContact CB-CB 4.38Å; L687-L702 HydrophobicContact CB-CD1 4.23Å; L687-L702 HydrophobicContact CD1-CB 4.13Å; L687-L703 HydrophobicContact CD1-CD2 4.11Å; L687-L703 HydrophobicContact CD1-CG 4.08Å; L687-L703 HydrophobicContact CD2-CD2 3.8Å; L687-V711 HydrophobicContact CD2-CB 3.9Å; L687-V711 HydrophobicContact CD2-CG1 3.97Å; L687-A723 HydrophobicContact CD2-CB 4.44Å; L687-A723 HydrophobicContact CG-CB 4.25Å; L687-L739 HydrophobicContact CD1-CD2 4.42Å; L687-L739 HydrophobicContact CD2-CD2 4.05Å; L687-L739 HydrophobicContact CG-CD2 4.43Å
688	L	94.4	Very high	91.2	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-44.4	172.6	-71.4	164.3	0	0	0	110.7	G684 Q685 T691 A692 T714 A723 L726	G684-L688 VanDerWaalsContact O-CG 3.24Å; G684-L688 WeakPolarHBondContact O-CG 3.26Å; G684-L688 PolarHBondContact O-N 3.01Å; Q685-L688 PolarHBondContact O-N 2.95Å; L688-T691 PolarHBondContact O-N 2.89Å; L688-A692 WeakPolarHBondContact O-CB 3.43Å; L688-A692 PolarHBondContact O-N 3.34Å; L688-T714 VanDerWaalsContact CD1-C 3.41Å; L688-T714 WeakPolarHBondContact CD1-O 3.41Å; L688-A723 HydrophobicContact CD2-CB 4.08Å; L688-L726 HydrophobicContact CB-CD1 4.13Å; L688-L726 HydrophobicContact CD2-CD1 3.75Å; L688-L726 WeakPolarHBondContact O-CD1 3.28Å
689	R	93.3	Very high	92.4	Very high	149 Å²	149	52 Å²	52	56%	0.562	26%	0.259	S	S	*	.	H	α-helix	trans	-65.1	-52.9	175.8	-178.3	174.6	179.7	171.3	1.2	112.5	Q685 H686 L687 T691 A692 D693	Q685-R689 PolarHBondContact O-N 3.45Å; H686-R689 PolarHBondContact O-N 3.21Å; L687-R689 VanDerWaalsContact C-N 3.3Å; L687-R689 PolarHBondContact O-N 3.29Å; R689-T691 PolarHBondContact O-N 3.04Å; R689-A692 WeakPolarHBondContact O-CA 3.38Å; R689-A692 WeakPolarHBondContact O-CB 3.28Å; R689-A692 PolarHBondContact O-N 3.46Å; R689-D693 VanDerWaalsContact CG-OD2 3.26Å; R689-D693 WeakPolarHBondContact CG-OD2 3.43Å; R689-D693 IonicContact NE-OD2 2.66Å; R689-D693 PolarHBondContact NE-OD2 3.48Å; R689-D693 VanDerWaalsContact NE-OD2 3.16Å; R689-D693 WeakPolarHBondContact O-CB 3.28Å; R689-D693 PolarHBondContact O-N 3.09Å
690	A	95.1	Very high	93.3	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-34.1	178.7	0	0	0	0	0	111.9	H686 L687 E694 D695 T698 A699 L702	H686-A690 WeakPolarHBondContact O-CB 3.48Å; H686-A690 PolarHBondContact O-N 2.92Å; L687-A690 PolarHBondContact O-N 3.44Å; A690-E694 CarbonylContact O-C 3.52Å; A690-E694 WeakPolarHBondContact O-CA 3.09Å; A690-E694 PolarHBondContact O-N 2.84Å; A690-D695 PolarHBondContact O-N 2.71Å; A690-T698 HydrophobicContact CB-CG2 4.02Å; A690-A699 HydrophobicContact CB-CB 4.44Å; A690-L702 HydrophobicContact CB-CD1 4.16Å
691	T	95.9	Very high	94.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73.9	-31.9	175	-52.1	0	0	0	0	113	L687 L688 R689 A723 L726 A727 L735 L739	L687-T691 VanDerWaalsContact O-CB 3.29Å; L687-T691 WeakPolarHBondContact O-CB 3.35Å; L687-T691 PolarHBondContact O-N 3.49Å; L687-T691 PolarHBondContact O-OG1 3.16Å; L688-T691 PolarHBondContact O-N 2.89Å; R689-T691 PolarHBondContact O-N 3.04Å; T691-A723 HydrophobicContact CG2-CB 4.43Å; T691-A723 WeakPolarHBondContact CG2-O 3.41Å; T691-L726 HydrophobicContact CG2-CB 4.04Å; T691-A727 HydrophobicContact CG2-CB 3.75Å; T691-L735 HydrophobicContact CG2-CD1 4.29Å; T691-L739 HydrophobicContact CG2-CD1 4.2Å
692	A	93.8	Very high	94.6	Very high	29 Å²	29	35.7 Å²	35.7	24%	0.24	18%	0.176	C	C	.	.	H	α-helix	trans	-74.4	-39.3	174.5	0	0	0	0	0	112.6	L688 R689 E694 L726 K730	L688-A692 WeakPolarHBondContact O-CB 3.43Å; L688-A692 PolarHBondContact O-N 3.34Å; R689-A692 WeakPolarHBondContact O-CA 3.38Å; R689-A692 WeakPolarHBondContact O-CB 3.28Å; R689-A692 PolarHBondContact O-N 3.46Å; A692-E694 VanDerWaalsContact C-N 3.27Å; A692-L726 HydrophobicContact CB-CD1 4.45Å; A692-K730 WeakPolarHBondContact O-CE 3.23Å; A692-K730 PolarHBondContact O-NZ 2.82Å
693	D	94.8	Very high	94.8	Very high	105 Å²	105	34 Å²	34	56%	0.561	16%	0.164	S	C	*	.	H	α-helix	trans	-79.6	-10.3	176.9	-64.8	-19.5	0	0	0	112	R689 D695	R689-D693 VanDerWaalsContact CG-OD2 3.26Å; R689-D693 WeakPolarHBondContact CG-OD2 3.43Å; R689-D693 IonicContact NE-OD2 2.66Å; R689-D693 PolarHBondContact NE-OD2 3.48Å; R689-D693 VanDerWaalsContact NE-OD2 3.16Å; R689-D693 WeakPolarHBondContact O-CB 3.28Å; R689-D693 PolarHBondContact O-N 3.09Å; D693-D695 VanDerWaalsContact C-N 3.31Å; D693-D695 PolarHBondContact O-N 3.45Å
694	E	95.1	Very high	94.9	Very high	71 Å²	71	33 Å²	33	33%	0.332	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	27.5	-178.4	-63.1	-176.7	83.3	0	0	115.4	A690 A692 L696 K730 N732 L735	A690-E694 CarbonylContact O-C 3.52Å; A690-E694 WeakPolarHBondContact O-CA 3.09Å; A690-E694 PolarHBondContact O-N 2.84Å; A692-E694 VanDerWaalsContact C-N 3.27Å; E694-L696 PolarHBondContact O-N 2.85Å; E694-L696 VanDerWaalsContact O-N 3.07Å; E694-K730 HydrophobicContact CG-CG 4.09Å; E694-K730 VanDerWaalsContact OE2-CD 3.26Å; E694-K730 WeakPolarHBondContact OE2-CD 3.45Å; E694-K730 WeakPolarHBondContact OE2-CG 3.35Å; E694-K730 IonicContact OE2-NZ 3.73Å; E694-K730 PolarHBondContact OE2-NZ 3.27Å; E694-N732 WeakPolarHBondContact OE1-CB 3.41Å; E694-N732 PolarHBondContact OE1-ND2 2.58Å; E694-L735 HydrophobicContact CB-CD1 4.47Å; E694-L735 HydrophobicContact CG-CD1 4.41Å
695	D	96.1	Very high	95	Very high	67 Å²	67	35.9 Å²	35.9	36%	0.358	17%	0.172	S	C	.	.			trans	-74.2	96.4	172.6	-177	-12.8	0	0	0	111.1	A690 D693 R697 T698 A699	A690-D695 PolarHBondContact O-N 2.71Å; D693-D695 VanDerWaalsContact C-N 3.31Å; D693-D695 PolarHBondContact O-N 3.45Å; D695-R697 VanDerWaalsContact C-N 3.34Å; D695-R697 PolarHBondContact O-N 2.66Å; D695-R697 PolarHBondContact OD1-N 2.91Å; D695-T698 VanDerWaalsContact CG-CB 3.46Å; D695-T698 VanDerWaalsContact CG-OG1 3.26Å; D695-T698 PolarHBondContact OD1-N 3.3Å; D695-T698 WeakPolarHBondContact OD2-CB 3.38Å; D695-T698 PolarHBondContact OD2-OG1 2.87Å; D695-A699 VanDerWaalsContact O-CB 3.24Å; D695-A699 WeakPolarHBondContact O-CB 3.44Å; D695-A699 PolarHBondContact O-N 2.79Å
696	L	96.1	Very high	95	Very high	32 Å²	32	32.9 Å²	32.9	17%	0.168	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-33.6	177.7	-176.2	60.1	0	0	0	113.5	S630 I631 L635 E694 I700 V734 L735 L738	S630-L696 VanDerWaalsContact O-CD2 3.3Å; S630-L696 WeakPolarHBondContact O-CD2 3.32Å; I631-L696 HydrophobicContact CG1-CD2 4.13Å; L635-L696 HydrophobicContact CD2-CD2 4.43Å; L635-L696 HydrophobicContact CD2-CG 4.49Å; E694-L696 PolarHBondContact O-N 2.85Å; E694-L696 VanDerWaalsContact O-N 3.07Å; L696-I700 HydrophobicContact CD1-CD1 3.82Å; L696-I700 HydrophobicContact CD1-CG1 4.11Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 HydrophobicContact CG-CG1 4.5Å; L696-I700 WeakPolarHBondContact O-CB 3.22Å; L696-I700 WeakPolarHBondContact O-CD1 3.27Å; L696-I700 WeakPolarHBondContact O-CG1 3.22Å; L696-I700 PolarHBondContact O-N 2.71Å; L696-V734 HydrophobicContact CD1-CG1 3.89Å; L696-V734 HydrophobicContact CD2-CG1 4.24Å; L696-L735 HydrophobicContact CD1-CD2 3.72Å; L696-L735 HydrophobicContact CD1-CG 4.47Å; L696-L738 HydrophobicContact CD1-CD1 3.67Å
697	R	95.9	Very high	94.8	Very high	80 Å²	80	34.3 Å²	34.3	30%	0.302	18%	0.175	S	C	.	.	H	α-helix	trans	-70.2	-50.5	-179.9	-172.2	-179.9	178.4	-104.1	2.6	109.9	L635 S638 V639 E642 D695 A699 I700 L701	L635-R697 HydrophobicContact CD1-CB 3.98Å; L635-R697 HydrophobicContact CD1-CG 3.88Å; S638-R697 PolarHBondContact O-NH2 2.54Å; S638-R697 PolarHBondContact OG-NE 2.87Å; V639-R697 HydrophobicContact CG2-CG 4.05Å; E642-R697 IonicContact OE1-CZ 3.77Å; E642-R697 IonicContact OE1-NH2 3.78Å; E642-R697 PolarHBondContact OE1-NH2 3.09Å; D695-R697 VanDerWaalsContact C-N 3.34Å; D695-R697 PolarHBondContact O-N 2.66Å; D695-R697 PolarHBondContact OD1-N 2.91Å; R697-A699 VanDerWaalsContact C-N 3.31Å; R697-A699 PolarHBondContact O-N 3.17Å; R697-I700 PolarHBondContact O-N 2.98Å; R697-L701 WeakPolarHBondContact O-CB 3.32Å; R697-L701 PolarHBondContact O-N 3.06Å
698	T	95.4	Very high	94.5	Very high	22 Å²	22	42 Å²	42	14%	0.135	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-35.9	-178.9	-58.6	0	0	0	0	110.6	A690 D695 L701 L702	A690-T698 HydrophobicContact CB-CG2 4.02Å; D695-T698 VanDerWaalsContact CG-CB 3.46Å; D695-T698 VanDerWaalsContact CG-OG1 3.26Å; D695-T698 PolarHBondContact OD1-N 3.3Å; D695-T698 WeakPolarHBondContact OD2-CB 3.38Å; D695-T698 PolarHBondContact OD2-OG1 2.87Å; T698-L701 PolarHBondContact O-N 3.48Å; T698-L702 HydrophobicContact CG2-CD1 3.79Å; T698-L702 HydrophobicContact CG2-CG 4.37Å; T698-L702 WeakPolarHBondContact O-CB 3.24Å; T698-L702 WeakPolarHBondContact O-CD1 3.17Å; T698-L702 WeakPolarHBondContact O-CG 3.28Å; T698-L702 PolarHBondContact O-N 3.23Å
699	A	96.3	Very high	94.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-49.1	171	0	0	0	0	0	112.7	L687 A690 D695 R697 L701 L702 L703 L735	L687-A699 HydrophobicContact CD1-CB 4.36Å; A690-A699 HydrophobicContact CB-CB 4.44Å; D695-A699 VanDerWaalsContact O-CB 3.24Å; D695-A699 WeakPolarHBondContact O-CB 3.44Å; D695-A699 PolarHBondContact O-N 2.79Å; R697-A699 VanDerWaalsContact C-N 3.31Å; R697-A699 PolarHBondContact O-N 3.17Å; A699-L701 VanDerWaalsContact C-N 3.31Å; A699-L701 PolarHBondContact O-N 3.43Å; A699-L702 PolarHBondContact O-N 3.38Å; A699-L703 WeakPolarHBondContact O-CB 3.42Å; A699-L703 VanDerWaalsContact O-CG 3.25Å; A699-L703 WeakPolarHBondContact O-CG 3.25Å; A699-L703 PolarHBondContact O-N 3.22Å; A699-L735 HydrophobicContact CB-CD2 3.59Å
700	I	96.8	Very high	94.1	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-40.7	177.3	-69.4	165.5	0	0	0	111.1	I631 L635 V639 L696 R697 L703 A704 L738	I631-I700 HydrophobicContact CD1-CD1 3.61Å; I631-I700 HydrophobicContact CG1-CD1 3.74Å; I631-I700 HydrophobicContact CG2-CD1 4.28Å; L635-I700 HydrophobicContact CD2-CD1 4.34Å; V639-I700 HydrophobicContact CG1-CG2 4.31Å; V639-I700 HydrophobicContact CG2-CG2 4.33Å; L696-I700 HydrophobicContact CD1-CD1 3.82Å; L696-I700 HydrophobicContact CD1-CG1 4.11Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 HydrophobicContact CG-CG1 4.5Å; L696-I700 WeakPolarHBondContact O-CB 3.22Å; L696-I700 WeakPolarHBondContact O-CD1 3.27Å; L696-I700 WeakPolarHBondContact O-CG1 3.22Å; L696-I700 PolarHBondContact O-N 2.71Å; R697-I700 PolarHBondContact O-N 2.98Å; I700-L703 PolarHBondContact O-N 3.32Å; I700-A704 VanDerWaalsContact O-CB 3.27Å; I700-A704 WeakPolarHBondContact O-CB 3.32Å; I700-A704 PolarHBondContact O-N 3.39Å; I700-L738 HydrophobicContact CD1-CD1 4.4Å; I700-L738 HydrophobicContact CG1-CD1 4.02Å
701	L	96.4	Very high	94	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-49	176.3	175.3	57.7	0	0	0	112.2	V639 L673 A674 L676 R697 T698 A699 L703 A704 H705	V639-L701 HydrophobicContact CG1-CB 4.38Å; V639-L701 HydrophobicContact CG1-CD1 4.12Å; V639-L701 HydrophobicContact CG2-CB 4.42Å; L673-L701 HydrophobicContact CD1-CD1 4.34Å; A674-L701 HydrophobicContact CB-CD1 3.83Å; A674-L701 WeakPolarHBondContact O-CD1 3.5Å; L676-L701 HydrophobicContact CD2-CG 4.2Å; R697-L701 WeakPolarHBondContact O-CB 3.32Å; R697-L701 PolarHBondContact O-N 3.06Å; T698-L701 PolarHBondContact O-N 3.48Å; A699-L701 VanDerWaalsContact C-N 3.31Å; A699-L701 PolarHBondContact O-N 3.43Å; L701-L703 PolarHBondContact O-N 2.87Å; L701-A704 WeakPolarHBondContact O-CB 3.37Å; L701-A704 PolarHBondContact O-N 3.22Å; L701-H705 PolarHBondContact O-CD2 3.33Å; L701-H705 PolarHBondContact O-N 3.14Å; L701-H705 VanDerWaalsContact O-N 3.11Å
702	L	95.7	Very high	93.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-40	179.2	-70.8	163	0	0	0	111.6	L676 L683 H686 L687 A690 T698 A699 A704 H705 G706	L676-L702 HydrophobicContact CD2-CD2 3.74Å; L676-L702 HydrophobicContact CD2-CG 4.49Å; L683-L702 HydrophobicContact CG-CD2 3.95Å; H686-L702 HydrophobicContact CB-CD1 3.9Å; H686-L702 HydrophobicContact CB-CD2 3.94Å; L687-L702 HydrophobicContact CB-CB 4.38Å; L687-L702 HydrophobicContact CB-CD1 4.23Å; L687-L702 HydrophobicContact CD1-CB 4.13Å; A690-L702 HydrophobicContact CB-CD1 4.16Å; T698-L702 HydrophobicContact CG2-CD1 3.79Å; T698-L702 HydrophobicContact CG2-CG 4.37Å; T698-L702 WeakPolarHBondContact O-CB 3.24Å; T698-L702 WeakPolarHBondContact O-CD1 3.17Å; T698-L702 WeakPolarHBondContact O-CG 3.28Å; T698-L702 PolarHBondContact O-N 3.23Å; A699-L702 PolarHBondContact O-N 3.38Å; L702-A704 VanDerWaalsContact C-N 3.33Å; L702-A704 PolarHBondContact O-N 3.26Å; L702-H705 PolarHBondContact O-N 3.42Å; L702-G706 PolarHBondContact O-N 3.33Å
703	L	95.6	Very high	93.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-34.1	172.9	-70	178.3	0	0	0	112.9	L687 A699 I700 L701 V711 L738 L739 Y742	L687-L703 HydrophobicContact CD1-CD2 4.11Å; L687-L703 HydrophobicContact CD1-CG 4.08Å; L687-L703 HydrophobicContact CD2-CD2 3.8Å; A699-L703 WeakPolarHBondContact O-CB 3.42Å; A699-L703 VanDerWaalsContact O-CG 3.25Å; A699-L703 WeakPolarHBondContact O-CG 3.25Å; A699-L703 PolarHBondContact O-N 3.22Å; I700-L703 PolarHBondContact O-N 3.32Å; L701-L703 PolarHBondContact O-N 2.87Å; L703-V711 HydrophobicContact CD2-CB 4.22Å; L703-V711 HydrophobicContact CD2-CG1 3.65Å; L703-L738 HydrophobicContact CD1-CB 4.08Å; L703-L739 HydrophobicContact CD1-CD2 4.48Å; L703-L739 HydrophobicContact CD2-CD2 4.07Å; L703-Y742 HydrophobicContact CB-CD1 3.83Å; L703-Y742 HydrophobicContact CB-CD2 4.14Å; L703-Y742 HydrophobicContact CB-CE1 4.04Å; L703-Y742 HydrophobicContact CB-CE2 4.35Å; L703-Y742 HydrophobicContact CB-CG 3.89Å; L703-Y742 HydrophobicContact CD1-CD2 4.01Å; L703-Y742 HydrophobicContact CD1-CG 4.29Å; L703-Y742 HydrophobicContact CD2-CG 4.22Å; L703-Y742 HydrophobicContact CG-CG 4.35Å; L703-Y742 WeakPolarHBondContact O-CD1 3.33Å; L703-Y742 WeakPolarHBondContact O-CE1 3.43Å
704	A	94.8	Very high	93.5	Very high	1 Å²	1	45 Å²	45	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-70.1	-30.5	176.4	0	0	0	0	0	112.8	V639 W640 K670 L673 I700 L701 L702	V639-A704 HydrophobicContact CG1-CB 4.35Å; W640-A704 HydrophobicContact CH2-CB 3.73Å; W640-A704 HydrophobicContact CZ2-CB 3.45Å; W640-A704 VanDerWaalsContact CZ2-CB 3.45Å; W640-A704 HydrophobicContact CZ3-CB 4.48Å; K670-A704 VanDerWaalsContact CE-O 3.28Å; K670-A704 WeakPolarHBondContact CE-O 3.44Å; K670-A704 PolarHBondContact NZ-O 3.27Å; L673-A704 HydrophobicContact CD1-CB 3.6Å; L673-A704 HydrophobicContact CD2-CB 3.98Å; L673-A704 HydrophobicContact CG-CB 4.46Å; I700-A704 VanDerWaalsContact O-CB 3.27Å; I700-A704 WeakPolarHBondContact O-CB 3.32Å; I700-A704 PolarHBondContact O-N 3.39Å; L701-A704 WeakPolarHBondContact O-CB 3.37Å; L701-A704 PolarHBondContact O-N 3.22Å; L702-A704 VanDerWaalsContact C-N 3.33Å; L702-A704 PolarHBondContact O-N 3.26Å
705	H	93.9	Very high	92.9	Very high	62 Å²	62	44 Å²	44	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-81.8	-49.1	172.4	-80.1	-76.5	0	0	0	113	K670 A674 L676 L683 L701 L702	K670-H705 PolarHBondContact NZ-O 3.06Å; A674-H705 PolarHBondContact O-NE2 2.99Å; L676-H705 HydrophobicContact CD1-CB 4.21Å; L676-H705 HydrophobicContact CD2-CB 4.13Å; L676-H705 WeakPolarHBondContact CD2-CD2 3.21Å; L676-H705 HydrophobicContact CG-CB 4.35Å; L683-H705 HydrophobicContact CD1-CB 3.81Å; L701-H705 PolarHBondContact O-CD2 3.33Å; L701-H705 PolarHBondContact O-N 3.14Å; L701-H705 VanDerWaalsContact O-N 3.11Å; L702-H705 PolarHBondContact O-N 3.42Å
706	G	91.1	Very high	92.1	Very high	15 Å²	15	42.8 Å²	42.8	16%	0.155	23%	0.228	C	C	.	.			trans	-62.5	146	-162.1	0	0	0	0	0	116.3	L702	L702-G706 PolarHBondContact O-N 3.33Å
707	S	89.9	Confident	90.8	Very high	55 Å²	55	50.8 Å²	50.8	39%	0.385	27%	0.265	S	S	.	.			trans	-75.9	166	164.3	70.5	0	0	0	0	111.5	D709 E710 V711	S707-D709 PolarHBondContact O-N 3.35Å; S707-E710 WeakPolarHBondContact CB-OE2 3.3Å; S707-E710 PolarHBondContact N-OE2 3.29Å; S707-E710 PolarHBondContact O-N 3.04Å; S707-E710 WeakPolarHBondContact OG-CG 3.39Å; S707-E710 PolarHBondContact OG-OE2 2.83Å; S707-V711 PolarHBondContact O-N 2.79Å
708	R	87.6	Confident	89.7	Confident	162 Å²	162	50.3 Å²	50.3	61%	0.611	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-31	178.9	-173.4	173.7	179.3	-151.4	-9	112.9	V711 N712 G743	R708-V711 WeakPolarHBondContact O-CG2 3.2Å; R708-N712 PolarHBondContact O-ND2 2.81Å; R708-G743 PolarHBondContact NE-O 2.85Å; R708-G743 VanDerWaalsContact NE-O 3.07Å
709	D	88.1	Confident	89.2	Confident	135 Å²	135	51 Å²	51	72%	0.722	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-37.9	-176.7	-58	-32.9	0	0	0	110.9	S707 N712	S707-D709 PolarHBondContact O-N 3.35Å; D709-N712 PolarHBondContact O-N 2.96Å
710	E	91.7	Very high	88.8	Confident	76 Å²	76	51.5 Å²	51.5	36%	0.355	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-67.3	-39.2	176.8	-66.1	162.9	108.7	0	0	112.9	L683 G684 S707 N712 E713	L683-E710 HydrophobicContact CD2-CB 3.92Å; G684-E710 VanDerWaalsContact CA-O 3.29Å; G684-E710 WeakPolarHBondContact CA-O 3.37Å; S707-E710 WeakPolarHBondContact CB-OE2 3.3Å; S707-E710 PolarHBondContact N-OE2 3.29Å; S707-E710 PolarHBondContact O-N 3.04Å; S707-E710 WeakPolarHBondContact OG-CG 3.39Å; S707-E710 PolarHBondContact OG-OE2 2.83Å; E710-N712 PolarHBondContact O-N 3.11Å; E710-E713 WeakPolarHBondContact O-CB 3.31Å; E710-E713 PolarHBondContact O-N 2.84Å; E710-E713 VanDerWaalsContact O-N 3.15Å
711	V	92.8	Very high	88.6	Confident	3 Å²	3	53 Å²	53	2%	0.018	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-69	-12.7	176.8	-56.2	0	0	0	0	113.1	L687 L703 S707 R708 V744	L687-V711 HydrophobicContact CD2-CB 3.9Å; L687-V711 HydrophobicContact CD2-CG1 3.97Å; L703-V711 HydrophobicContact CD2-CB 4.22Å; L703-V711 HydrophobicContact CD2-CG1 3.65Å; S707-V711 PolarHBondContact O-N 2.79Å; R708-V711 WeakPolarHBondContact O-CG2 3.2Å; V711-V744 HydrophobicContact CB-CG2 4.08Å; V711-V744 HydrophobicContact CG2-CG2 3.91Å; V711-V744 WeakPolarHBondContact O-CG2 3.43Å
712	N	92.3	Very high	88.6	Confident	36 Å²	36	53 Å²	53	19%	0.193	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-98.5	7.4	175.3	-80.2	-70.9	0	0	0	113.7	R708 D709 E710 G743 V744 D745	R708-N712 PolarHBondContact O-ND2 2.81Å; D709-N712 PolarHBondContact O-N 2.96Å; E710-N712 PolarHBondContact O-N 3.11Å; N712-G743 PolarHBondContact ND2-O 2.93Å; N712-V744 WeakPolarHBondContact OD1-CA 3.35Å; N712-D745 PolarHBondContact OD1-N 2.93Å
713	E	91.8	Very high	88.6	Confident	58 Å²	58	53 Å²	53	27%	0.271	30%	0.299	S	S	.	.			trans	-59.8	151.9	173.2	-160	175.1	168.8	0	0	111.5	S682 G684 Q685 E710	S682-E713 WeakPolarHBondContact CB-OE2 3.36Å; S682-E713 VanDerWaalsContact OG-CD 3.24Å; S682-E713 PolarHBondContact OG-OE1 2.93Å; S682-E713 PolarHBondContact OG-OE2 3Å; G684-E713 VanDerWaalsContact CA-OE2 3.23Å; G684-E713 WeakPolarHBondContact CA-OE2 3.49Å; G684-E713 PolarHBondContact N-OE2 2.78Å; Q685-E713 WeakPolarHBondContact CG-OE1 3.26Å; Q685-E713 PolarHBondContact N-OE2 3.48Å; Q685-E713 PolarHBondContact NE2-OE1 3.48Å; E710-E713 WeakPolarHBondContact O-CB 3.31Å; E710-E713 PolarHBondContact O-N 2.84Å; E710-E713 VanDerWaalsContact O-N 3.15Å
714	T	91.3	Very high	88.7	Confident	53 Å²	53	52.9 Å²	52.9	33%	0.325	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-115.7	162.4	-175	55.7	0	0	0	0	112	L688 G716 G720 R721 T722	L688-T714 VanDerWaalsContact CD1-C 3.41Å; L688-T714 WeakPolarHBondContact CD1-O 3.41Å; T714-G716 PolarHBondContact O-N 2.84Å; T714-G720 WeakPolarHBondContact CG2-O 3.18Å; T714-R721 CarbonylContact C-O 3.57Å; T714-R721 VanDerWaalsContact CA-O 3.24Å; T714-R721 WeakPolarHBondContact CA-O 3.47Å; T714-T722 HydrophobicContact CG2-CG2 3.76Å
715	C	82.1	Confident	88.7	Confident	50 Å²	50	52.9 Å²	52.9	34%	0.338	30%	0.298	S	S	.	.	S	Bend	trans	-68.6	53.6	173.2	-69.1	0	0	0	0	113.5	D719 R721	C715-D719 HydrophobicContact CB-CB 3.95Å; C715-D719 WeakPolarHBondContact O-CB 3.16Å; C715-R721 HydrophobicContact CB-CB 4.49Å; C715-R721 PolarHBondContact N-O 2.84Å
716	G	79.5	Confident	88.8	Confident	42 Å²	42	50.3 Å²	50.3	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	66.2	172.9	-176	0	0	0	0	0	114	T714 G718 D719 G720	T714-G716 PolarHBondContact O-N 2.84Å; G716-G718 PolarHBondContact O-N 3.32Å; G716-G718 VanDerWaalsContact O-N 3.16Å; G716-D719 PolarHBondContact O-N 3.37Å; G716-G720 PolarHBondContact O-N 3.39Å; G716-G720 VanDerWaalsContact O-N 3.07Å
717	E	68.2	Low	89.1	Confident	201 Å²	201	49.6 Å²	49.6	94%	0.939	28%	0.278	S	S	*	.	H	α-helix	trans	-63.9	-20.4	-177.8	-59.1	-168.8	153.5	0	0	113.7
718	G	72.4	Confident	89.5	Confident	69 Å²	69	47 Å²	47	71%	0.711	26%	0.26	S	S	*	.	H	α-helix	trans	-83.4	-28.2	-176.9	0	0	0	0	0	115.6	G716	G716-G718 PolarHBondContact O-N 3.32Å; G716-G718 VanDerWaalsContact O-N 3.16Å
719	D	84.3	Confident	89.8	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.193	25%	0.249	C	C	.	.	H	α-helix	trans	-111.3	-36	-179.5	-163.4	47.5	0	0	0	112	C715 G716 R721 A751	C715-D719 HydrophobicContact CB-CB 3.95Å; C715-D719 WeakPolarHBondContact O-CB 3.16Å; G716-D719 PolarHBondContact O-N 3.37Å; D719-R721 PolarHBondContact O-N 3.34Å; D719-R721 IonicContact OD1-CZ 3.92Å; D719-R721 IonicContact OD1-NE 2.6Å; D719-R721 IonicContact OD1-NH1 2.72Å; D719-R721 PolarHBondContact OD1-NH1 2.8Å; D719-R721 IonicContact OD1-NH2 2.71Å; D719-R721 WeakPolarHBondContact OD2-CD 3.36Å; D719-R721 VanDerWaalsContact OD2-CG 3.27Å; D719-R721 WeakPolarHBondContact OD2-CG 3.23Å; D719-R721 IonicContact OD2-CZ 2.86Å; D719-R721 IonicContact OD2-NE 3.84Å; D719-R721 IonicContact OD2-NH1 3.45Å; D719-R721 PolarHBondContact OD2-NH1 2.82Å; D719-A751 WeakPolarHBondContact O-CB 3.38Å; D719-A751 PolarHBondContact O-N 2.81Å
720	G	89.2	Confident	90.2	Very high	12 Å²	12	42 Å²	42	12%	0.124	23%	0.234	C	C	.	.			trans	65.8	0.5	176.2	0	0	0	0	0	115.8	T714 G716 T722	T714-G720 WeakPolarHBondContact CG2-O 3.18Å; G716-G720 PolarHBondContact O-N 3.39Å; G716-G720 VanDerWaalsContact O-N 3.07Å; G720-T722 PolarHBondContact O-N 3.22Å
721	R	93.1	Very high	90.3	Very high	38 Å²	38	39.5 Å²	39.5	14%	0.143	23%	0.228	C	C	.	.			trans	-68.3	127.5	179.1	-69.8	-172.1	-174.6	102.3	12.9	111.4	T714 C715 D719 H725 L726 D750 Y759	T714-R721 CarbonylContact C-O 3.57Å; T714-R721 VanDerWaalsContact CA-O 3.24Å; T714-R721 WeakPolarHBondContact CA-O 3.47Å; C715-R721 HydrophobicContact CB-CB 4.49Å; C715-R721 PolarHBondContact N-O 2.84Å; D719-R721 PolarHBondContact O-N 3.34Å; D719-R721 IonicContact OD1-CZ 3.92Å; D719-R721 IonicContact OD1-NE 2.6Å; D719-R721 IonicContact OD1-NH1 2.72Å; D719-R721 PolarHBondContact OD1-NH1 2.8Å; D719-R721 IonicContact OD1-NH2 2.71Å; D719-R721 WeakPolarHBondContact OD2-CD 3.36Å; D719-R721 VanDerWaalsContact OD2-CG 3.27Å; D719-R721 WeakPolarHBondContact OD2-CG 3.23Å; D719-R721 IonicContact OD2-CZ 2.86Å; D719-R721 IonicContact OD2-NE 3.84Å; D719-R721 IonicContact OD2-NH1 3.45Å; D719-R721 PolarHBondContact OD2-NH1 2.82Å; R721-H725 HydrophobicContact CB-CB 4.03Å; R721-H725 HydrophobicContact CG-CB 4.16Å; R721-L726 HydrophobicContact CB-CD2 4.47Å; R721-D750 HydrophobicContact CG-CB 3.87Å; R721-Y759 VanDerWaalsContact CZ-OH 3.32Å; R721-Y759 VanDerWaalsContact NE-CZ 3.35Å; R721-Y759 PolarHBondContact NE-OH 2.9Å; R721-Y759 PolarHBondContact NH2-OH 2.79Å
722	T	95.1	Very high	90.5	Very high	5 Å²	5	41 Å²	41	3%	0.031	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-81.4	168.3	164.7	66	0	0	0	0	111.2	T714 G720 L724 H725 L726 A748	T714-T722 HydrophobicContact CG2-CG2 3.76Å; G720-T722 PolarHBondContact O-N 3.22Å; T722-L724 PolarHBondContact O-N 3.29Å; T722-L724 VanDerWaalsContact O-N 3.17Å; T722-H725 PolarHBondContact N-ND1 3.35Å; T722-H725 WeakPolarHBondContact O-CB 3.32Å; T722-H725 PolarHBondContact O-N 3.48Å; T722-H725 PolarHBondContact OG1-ND1 2.86Å; T722-L726 PolarHBondContact O-N 3.2Å; T722-A748 HydrophobicContact CG2-CB 4.16Å
723	A	96	Very high	90.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-55.5	-34.8	177.6	0	0	0	0	0	113	L687 L688 T691 H725 L726 A727 L739	L687-A723 HydrophobicContact CD2-CB 4.44Å; L687-A723 HydrophobicContact CG-CB 4.25Å; L688-A723 HydrophobicContact CD2-CB 4.08Å; T691-A723 HydrophobicContact CG2-CB 4.43Å; T691-A723 WeakPolarHBondContact CG2-O 3.41Å; A723-H725 VanDerWaalsContact C-N 3.3Å; A723-H725 PolarHBondContact O-N 2.76Å; A723-L726 WeakPolarHBondContact O-CB 3.16Å; A723-L726 PolarHBondContact O-N 3.02Å; A723-A727 PolarHBondContact O-N 3.01Å; A723-L739 HydrophobicContact CB-CD1 4.01Å; A723-L739 HydrophobicContact CB-CD2 3.75Å
724	L	97.1	Very high	90.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-33.9	176.9	-175.7	60.5	0	0	0	112.7	T722 L726 C728 A736 L739 I740 V744 V746 A756 L772	T722-L724 PolarHBondContact O-N 3.29Å; T722-L724 VanDerWaalsContact O-N 3.17Å; L724-L726 VanDerWaalsContact C-N 3.34Å; L724-C728 WeakPolarHBondContact O-CB 3.43Å; L724-C728 PolarHBondContact O-N 2.9Å; L724-C728 PolarHBondContact O-SG 3.26Å; L724-C728 VanDerWaalsContact O-SG 3.35Å; L724-A736 HydrophobicContact CD1-CB 3.86Å; L724-L739 HydrophobicContact CD1-CB 4.46Å; L724-I740 HydrophobicContact CD1-CD1 4.13Å; L724-I740 HydrophobicContact CD1-CG1 4.01Å; L724-I740 HydrophobicContact CD2-CG1 4.07Å; L724-V744 HydrophobicContact CB-CG1 3.79Å; L724-V744 HydrophobicContact CD2-CG1 4.26Å; L724-V746 HydrophobicContact CD2-CG2 4.42Å; L724-A756 HydrophobicContact CD2-CB 4.2Å; L724-A756 HydrophobicContact CG-CB 3.83Å; L724-L772 HydrophobicContact CD1-CD2 4.33Å; L724-L772 HydrophobicContact CD2-CD2 3.99Å; L724-L772 HydrophobicContact CG-CD2 4.33Å
725	H	95.9	Very high	91.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-38.6	172.9	-64.9	78.7	0	0	0	111.3	R721 T722 A723 R729 A748 N754 A756 Y759	R721-H725 HydrophobicContact CB-CB 4.03Å; R721-H725 HydrophobicContact CG-CB 4.16Å; T722-H725 PolarHBondContact N-ND1 3.35Å; T722-H725 WeakPolarHBondContact O-CB 3.32Å; T722-H725 PolarHBondContact O-N 3.48Å; T722-H725 PolarHBondContact OG1-ND1 2.86Å; A723-H725 VanDerWaalsContact C-N 3.3Å; A723-H725 PolarHBondContact O-N 2.76Å; H725-R729 VanDerWaalsContact O-CB 3.25Å; H725-R729 WeakPolarHBondContact O-CB 3.41Å; H725-R729 PolarHBondContact O-N 2.91Å; H725-A748 PolarHBondContact CE1-O 2.87Å; H725-A748 PolarHBondContact NE2-O 3.3Å; H725-N754 PolarHBondContact NE2-O 3.35Å; H725-A756 PolarHBondContact CD2-N 2.76Å; H725-A756 PolarHBondContact NE2-N 3.08Å; H725-Y759 HydrophobicContact CB-CD2 4.19Å; H725-Y759 HydrophobicContact CB-CE2 4.43Å; H725-Y759 AromaticContact CD2-CD2 3.71Å; H725-Y759 AromaticContact CD2-CE2 3.76Å
726	L	96.1	Very high	91.9	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-45.8	178.7	-58.2	177.1	0	0	0	111.7	L688 T691 A692 R721 T722 A723 L724 R729 K730	L688-L726 HydrophobicContact CB-CD1 4.13Å; L688-L726 HydrophobicContact CD2-CD1 3.75Å; L688-L726 WeakPolarHBondContact O-CD1 3.28Å; T691-L726 HydrophobicContact CG2-CB 4.04Å; A692-L726 HydrophobicContact CB-CD1 4.45Å; R721-L726 HydrophobicContact CB-CD2 4.47Å; T722-L726 PolarHBondContact O-N 3.2Å; A723-L726 WeakPolarHBondContact O-CB 3.16Å; A723-L726 PolarHBondContact O-N 3.02Å; L724-L726 VanDerWaalsContact C-N 3.34Å; L726-R729 PolarHBondContact O-N 2.87Å; L726-K730 PolarHBondContact O-N 3.25Å; L726-K730 VanDerWaalsContact O-N 3.15Å
727	A	97.2	Very high	92.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-47.6	176.2	0	0	0	0	0	111.5	T691 A723 R729 K730 G731 N732 L735 A736 L739	T691-A727 HydrophobicContact CG2-CB 3.75Å; A723-A727 PolarHBondContact O-N 3.01Å; A727-R729 VanDerWaalsContact C-N 3.34Å; A727-R729 PolarHBondContact O-N 3.3Å; A727-K730 PolarHBondContact O-N 3.4Å; A727-K730 VanDerWaalsContact O-N 3.13Å; A727-G731 PolarHBondContact O-N 3.05Å; A727-G731 VanDerWaalsContact O-N 3.11Å; A727-N732 PolarHBondContact O-N 3.02Å; A727-L735 HydrophobicContact CB-CB 3.99Å; A727-A736 HydrophobicContact CB-CB 4.13Å; A727-L739 HydrophobicContact CB-CD1 3.96Å
728	C	97	Very high	94	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.8	-29.8	178.8	-67.7	0	0	0	0	113.1	L724 K730 G731 A756 A760 A763	L724-C728 WeakPolarHBondContact O-CB 3.43Å; L724-C728 PolarHBondContact O-N 2.9Å; L724-C728 PolarHBondContact O-SG 3.26Å; L724-C728 VanDerWaalsContact O-SG 3.35Å; C728-K730 VanDerWaalsContact C-N 3.29Å; C728-K730 PolarHBondContact O-N 2.7Å; C728-G731 PolarHBondContact O-N 3.37Å; C728-G731 VanDerWaalsContact O-N 3.14Å; C728-A756 HydrophobicContact CB-CB 4.43Å; C728-A756 WeakPolarHBondContact CB-O 3.49Å; C728-A760 HydrophobicContact CB-CB 4.07Å; C728-A763 WeakPolarHBondContact O-CB 3.45Å
729	R	95.4	Very high	95.1	Very high	102 Å²	102	18 Å²	18	39%	0.385	9%	0.09	S	C	.	.	H	α-helix	trans	-66.6	-27.9	171.2	-173.7	-179.1	69.6	174.5	1.7	112.8	H725 L726 A727 Y759	H725-R729 VanDerWaalsContact O-CB 3.25Å; H725-R729 WeakPolarHBondContact O-CB 3.41Å; H725-R729 PolarHBondContact O-N 2.91Å; L726-R729 PolarHBondContact O-N 2.87Å; A727-R729 VanDerWaalsContact C-N 3.34Å; A727-R729 PolarHBondContact O-N 3.3Å; R729-Y759 HydrophobicContact CB-CD1 3.86Å; R729-Y759 HydrophobicContact CB-CG 4.3Å; R729-Y759 HydrophobicContact CG-CD1 3.92Å
730	K	95.2	Very high	95.6	Very high	92 Å²	92	16.9 Å²	16.9	40%	0.4	8%	0.084	S	C	.	.	H	α-helix	trans	-84.3	-12.9	171.2	-67.2	-62.9	-163.1	83.1	0	113.3	A692 E694 L726 A727 C728 N732	A692-K730 WeakPolarHBondContact O-CE 3.23Å; A692-K730 PolarHBondContact O-NZ 2.82Å; E694-K730 HydrophobicContact CG-CG 4.09Å; E694-K730 VanDerWaalsContact OE2-CD 3.26Å; E694-K730 WeakPolarHBondContact OE2-CD 3.45Å; E694-K730 WeakPolarHBondContact OE2-CG 3.35Å; E694-K730 IonicContact OE2-NZ 3.73Å; E694-K730 PolarHBondContact OE2-NZ 3.27Å; L726-K730 PolarHBondContact O-N 3.25Å; L726-K730 VanDerWaalsContact O-N 3.15Å; A727-K730 PolarHBondContact O-N 3.4Å; A727-K730 VanDerWaalsContact O-N 3.13Å; C728-K730 VanDerWaalsContact C-N 3.29Å; C728-K730 PolarHBondContact O-N 2.7Å; K730-N732 HydrophobicContact CB-CB 4.19Å
731	G	94.9	Very high	95.9	Very high	22 Å²	22	17.1 Å²	17.1	23%	0.227	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	17.4	-167.8	0	0	0	0	0	113.5	A727 C728 V733 C768	A727-G731 PolarHBondContact O-N 3.05Å; A727-G731 VanDerWaalsContact O-N 3.11Å; C728-G731 PolarHBondContact O-N 3.37Å; C728-G731 VanDerWaalsContact O-N 3.14Å; G731-V733 PolarHBondContact O-N 2.76Å; G731-C768 VanDerWaalsContact C-SG 3.52Å
732	N	95.9	Very high	95.9	Very high	34 Å²	34	17.9 Å²	17.9	18%	0.182	9%	0.085	C	C	.	.			trans	-81.7	85.1	-175.3	-166.6	-45.9	0	0	0	110.6	E694 A727 K730 V734 L735 A736	E694-N732 WeakPolarHBondContact OE1-CB 3.41Å; E694-N732 PolarHBondContact OE1-ND2 2.58Å; A727-N732 PolarHBondContact O-N 3.02Å; K730-N732 HydrophobicContact CB-CB 4.19Å; N732-V734 PolarHBondContact O-N 3.3Å; N732-V734 PolarHBondContact OD1-N 3.25Å; N732-L735 HydrophobicContact CB-CB 4.42Å; N732-L735 HydrophobicContact CB-CD1 4.45Å; N732-L735 PolarHBondContact O-N 3.36Å; N732-L735 PolarHBondContact OD1-N 3.16Å; N732-A736 WeakPolarHBondContact O-CB 3.29Å; N732-A736 PolarHBondContact O-N 3.45Å
733	V	95.9	Very high	95.7	Very high	8 Å²	8	18.6 Å²	18.6	5%	0.048	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-28	-179.3	67.4	0	0	0	0	113.2	E623 K626 G731 Q737 E767 V771	E623-V733 HydrophobicContact CB-CG2 4.38Å; E623-V733 HydrophobicContact CG-CG2 4.26Å; K626-V733 HydrophobicContact CB-CG1 4.47Å; K626-V733 HydrophobicContact CD-CG1 3.59Å; G731-V733 PolarHBondContact O-N 2.76Å; V733-Q737 WeakPolarHBondContact O-CB 3.4Å; V733-Q737 PolarHBondContact O-N 2.81Å; V733-E767 HydrophobicContact CB-CB 4.15Å; V733-E767 HydrophobicContact CG1-CB 4.39Å; V733-E767 HydrophobicContact CG2-CB 3.88Å; V733-V771 HydrophobicContact CG2-CG2 3.83Å
734	V	96.7	Very high	95.6	Very high	12 Å²	12	18.9 Å²	18.9	7%	0.073	10%	0.095	C	C	.	.	H	α-helix	trans	-68.5	-52.6	179.2	175.2	0	0	0	0	110.5	K626 V627 L696 N732 Q737 L738	K626-V734 HydrophobicContact CB-CG2 4.02Å; V627-V734 HydrophobicContact CG2-CB 4.43Å; V627-V734 HydrophobicContact CG2-CG1 4.19Å; V627-V734 HydrophobicContact CG2-CG2 4.39Å; L696-V734 HydrophobicContact CD1-CG1 3.89Å; L696-V734 HydrophobicContact CD2-CG1 4.24Å; N732-V734 PolarHBondContact O-N 3.3Å; N732-V734 PolarHBondContact OD1-N 3.25Å; V734-Q737 PolarHBondContact O-N 2.89Å; V734-L738 HydrophobicContact CG1-CD1 4.14Å; V734-L738 VanDerWaalsContact O-CG 3.31Å; V734-L738 WeakPolarHBondContact O-CG 3.21Å; V734-L738 PolarHBondContact O-N 3.21Å
735	L	97.4	Very high	95.3	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-63.2	-43.6	175.6	-70.5	175.2	0	0	0	111.3	T691 E694 L696 A699 A727 N732 Q737 L738 L739	T691-L735 HydrophobicContact CG2-CD1 4.29Å; E694-L735 HydrophobicContact CB-CD1 4.47Å; E694-L735 HydrophobicContact CG-CD1 4.41Å; L696-L735 HydrophobicContact CD1-CD2 3.72Å; L696-L735 HydrophobicContact CD1-CG 4.47Å; A699-L735 HydrophobicContact CB-CD2 3.59Å; A727-L735 HydrophobicContact CB-CB 3.99Å; N732-L735 HydrophobicContact CB-CB 4.42Å; N732-L735 HydrophobicContact CB-CD1 4.45Å; N732-L735 PolarHBondContact O-N 3.36Å; N732-L735 PolarHBondContact OD1-N 3.16Å; L735-Q737 PolarHBondContact O-N 3.15Å; L735-L738 PolarHBondContact O-N 3.19Å; L735-L739 WeakPolarHBondContact O-CB 3.34Å; L735-L739 WeakPolarHBondContact O-CD1 3.3Å; L735-L739 WeakPolarHBondContact O-CG 3.33Å; L735-L739 PolarHBondContact O-N 3.01Å
736	A	96.9	Very high	95.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-58.5	-45.4	176.8	0	0	0	0	0	112.1	L724 A727 N732 L739 I740	L724-A736 HydrophobicContact CD1-CB 3.86Å; A727-A736 HydrophobicContact CB-CB 4.13Å; N732-A736 WeakPolarHBondContact O-CB 3.29Å; N732-A736 PolarHBondContact O-N 3.45Å; A736-L739 PolarHBondContact O-N 3.45Å; A736-I740 WeakPolarHBondContact O-CD1 3.46Å; A736-I740 VanDerWaalsContact O-CG1 3.22Å; A736-I740 WeakPolarHBondContact O-CG1 3.25Å; A736-I740 PolarHBondContact O-N 2.61Å; A736-I740 VanDerWaalsContact O-N 3.13Å
737	Q	95.8	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.3	-38.2	-179.2	-177	61.2	105.8	0	0	112.4	V627 V733 V734 L735 W741	V627-Q737 HydrophobicContact CG2-CB 4.13Å; V627-Q737 HydrophobicContact CG2-CG 4.16Å; V733-Q737 WeakPolarHBondContact O-CB 3.4Å; V733-Q737 PolarHBondContact O-N 2.81Å; V734-Q737 PolarHBondContact O-N 2.89Å; L735-Q737 PolarHBondContact O-N 3.15Å; Q737-W741 VanDerWaalsContact CD-CZ2 3.5Å; Q737-W741 HydrophobicContact CG-CD2 4.13Å; Q737-W741 HydrophobicContact CG-CE3 4.29Å; Q737-W741 HydrophobicContact CG-CH2 3.58Å; Q737-W741 HydrophobicContact CG-CZ2 3.38Å; Q737-W741 HydrophobicContact CG-CZ3 4.04Å; Q737-W741 PolarHBondContact O-N 3.4Å
738	L	96.1	Very high	94.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-50.6	173.2	-70.9	167.9	0	0	0	111.4	V627 I631 L696 I700 L703 V734 L735 I740 W741 Y742	V627-L738 HydrophobicContact CG1-CD2 4.21Å; I631-L738 HydrophobicContact CD1-CD1 4.32Å; I631-L738 HydrophobicContact CD1-CD2 4.39Å; L696-L738 HydrophobicContact CD1-CD1 3.67Å; I700-L738 HydrophobicContact CD1-CD1 4.4Å; I700-L738 HydrophobicContact CG1-CD1 4.02Å; L703-L738 HydrophobicContact CD1-CB 4.08Å; V734-L738 HydrophobicContact CG1-CD1 4.14Å; V734-L738 VanDerWaalsContact O-CG 3.31Å; V734-L738 WeakPolarHBondContact O-CG 3.21Å; V734-L738 PolarHBondContact O-N 3.21Å; L735-L738 PolarHBondContact O-N 3.19Å; L738-I740 VanDerWaalsContact C-N 3.27Å; L738-I740 PolarHBondContact O-N 3.32Å; L738-W741 HydrophobicContact CD2-CE3 4.2Å; L738-W741 HydrophobicContact CD2-CZ3 4.39Å; L738-W741 WeakPolarHBondContact O-CA 3.24Å; L738-W741 WeakPolarHBondContact O-CB 3.21Å; L738-W741 PolarHBondContact O-N 3.22Å; L738-Y742 WeakPolarHBondContact O-CD2 3.36Å; L738-Y742 PolarHBondContact O-N 2.98Å
739	L	96.3	Very high	94.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-53.8	-43.4	178.9	-74.4	162.6	0	0	0	112.1	L687 T691 L703 A723 L724 A727 L735 A736 W741 Y742 G743 V744	L687-L739 HydrophobicContact CD1-CD2 4.42Å; L687-L739 HydrophobicContact CD2-CD2 4.05Å; L687-L739 HydrophobicContact CG-CD2 4.43Å; T691-L739 HydrophobicContact CG2-CD1 4.2Å; L703-L739 HydrophobicContact CD1-CD2 4.48Å; L703-L739 HydrophobicContact CD2-CD2 4.07Å; A723-L739 HydrophobicContact CB-CD1 4.01Å; A723-L739 HydrophobicContact CB-CD2 3.75Å; L724-L739 HydrophobicContact CD1-CB 4.46Å; A727-L739 HydrophobicContact CB-CD1 3.96Å; L735-L739 WeakPolarHBondContact O-CB 3.34Å; L735-L739 WeakPolarHBondContact O-CD1 3.3Å; L735-L739 WeakPolarHBondContact O-CG 3.33Å; L735-L739 PolarHBondContact O-N 3.01Å; A736-L739 PolarHBondContact O-N 3.45Å; L739-W741 VanDerWaalsContact C-N 3.34Å; L739-W741 PolarHBondContact O-N 3.23Å; L739-Y742 PolarHBondContact O-N 3.23Å; L739-G743 PolarHBondContact O-N 2.88Å; L739-V744 HydrophobicContact CB-CB 4.37Å; L739-V744 HydrophobicContact CB-CG2 3.97Å; L739-V744 HydrophobicContact CD2-CG2 3.89Å; L739-V744 WeakPolarHBondContact O-CB 3.46Å; L739-V744 WeakPolarHBondContact O-CG2 3.43Å; L739-V744 PolarHBondContact O-N 2.97Å; L739-V744 VanDerWaalsContact O-N 3.14Å
740	I	95.2	Very high	94.5	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-38.4	175.4	-68.3	167.5	0	0	0	111.7	L724 A736 L738 G743 V746 V771 L772 Y775	L724-I740 HydrophobicContact CD1-CD1 4.13Å; L724-I740 HydrophobicContact CD1-CG1 4.01Å; L724-I740 HydrophobicContact CD2-CG1 4.07Å; A736-I740 WeakPolarHBondContact O-CD1 3.46Å; A736-I740 VanDerWaalsContact O-CG1 3.22Å; A736-I740 WeakPolarHBondContact O-CG1 3.25Å; A736-I740 PolarHBondContact O-N 2.61Å; A736-I740 VanDerWaalsContact O-N 3.13Å; L738-I740 VanDerWaalsContact C-N 3.27Å; L738-I740 PolarHBondContact O-N 3.32Å; I740-G743 PolarHBondContact O-N 3.04Å; I740-V746 HydrophobicContact CG1-CG2 4.02Å; I740-V746 HydrophobicContact CG2-CG2 4.28Å; I740-V771 HydrophobicContact CD1-CG1 3.58Å; I740-L772 HydrophobicContact CD1-CD2 4.17Å; I740-Y775 HydrophobicContact CG2-CD1 3.52Å; I740-Y775 HydrophobicContact CG2-CD2 3.88Å; I740-Y775 HydrophobicContact CG2-CE1 3.96Å; I740-Y775 HydrophobicContact CG2-CE2 4.3Å; I740-Y775 HydrophobicContact CG2-CG 3.49Å; I740-Y775 VanDerWaalsContact CG2-CG 3.49Å
741	W	93.8	Very high	94.3	Very high	16 Å²	16	26.2 Å²	26.2	6%	0.061	15%	0.152	C	C	.	.	H	α-helix	trans	-71.9	-28.9	179.1	-70.9	-13.5	0	0	0	114.4	L588 N589 R611 L624 V627 Q737 L738 L739 G743 Y775	L588-W741 VanDerWaalsContact C-CZ3 3.45Å; L588-W741 HydrophobicContact CB-CH2 3.64Å; L588-W741 HydrophobicContact CB-CZ2 4.23Å; L588-W741 HydrophobicContact CB-CZ3 3.86Å; L588-W741 HydrophobicContact CD1-CZ2 4.47Å; L588-W741 VanDerWaalsContact O-CZ3 3.29Å; L588-W741 WeakPolarHBondContact O-CZ3 3.48Å; N589-W741 HydrophobicContact CB-CB 4.27Å; N589-W741 HydrophobicContact CB-CD2 4.28Å; N589-W741 HydrophobicContact CB-CE3 3.69Å; N589-W741 HydrophobicContact CB-CZ3 4.42Å; R611-W741 VanDerWaalsContact CZ-CD1 3.43Å; R611-W741 PolarHBondContact NH2-O 2.83Å; L624-W741 HydrophobicContact CD2-CH2 3.74Å; L624-W741 HydrophobicContact CD2-CZ2 3.53Å; V627-W741 HydrophobicContact CG1-CZ3 4.09Å; V627-W741 HydrophobicContact CG2-CH2 4.43Å; V627-W741 HydrophobicContact CG2-CZ3 4.44Å; Q737-W741 VanDerWaalsContact CD-CZ2 3.5Å; Q737-W741 HydrophobicContact CG-CD2 4.13Å; Q737-W741 HydrophobicContact CG-CE3 4.29Å; Q737-W741 HydrophobicContact CG-CH2 3.58Å; Q737-W741 HydrophobicContact CG-CZ2 3.38Å; Q737-W741 HydrophobicContact CG-CZ3 4.04Å; Q737-W741 PolarHBondContact O-N 3.4Å; L738-W741 HydrophobicContact CD2-CE3 4.2Å; L738-W741 HydrophobicContact CD2-CZ3 4.39Å; L738-W741 WeakPolarHBondContact O-CA 3.24Å; L738-W741 WeakPolarHBondContact O-CB 3.21Å; L738-W741 PolarHBondContact O-N 3.22Å; L739-W741 VanDerWaalsContact C-N 3.34Å; L739-W741 PolarHBondContact O-N 3.23Å; W741-G743 VanDerWaalsContact C-N 3.33Å; W741-Y775 AromaticContact NE1-CZ 3.68Å; W741-Y775 PolarHBondContact NE1-OH 2.76Å
742	Y	93.8	Very high	94	Very high	54 Å²	54	31.4 Å²	31.4	21%	0.212	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	3.1	174.3	-78.1	-96.8	0	0	0	113.5	N589 L703 L738 L739	N589-Y742 HydrophobicContact CB-CE2 4.39Å; N589-Y742 PolarHBondContact O-OH 2.87Å; L703-Y742 HydrophobicContact CB-CD1 3.83Å; L703-Y742 HydrophobicContact CB-CD2 4.14Å; L703-Y742 HydrophobicContact CB-CE1 4.04Å; L703-Y742 HydrophobicContact CB-CE2 4.35Å; L703-Y742 HydrophobicContact CB-CG 3.89Å; L703-Y742 HydrophobicContact CD1-CD2 4.01Å; L703-Y742 HydrophobicContact CD1-CG 4.29Å; L703-Y742 HydrophobicContact CD2-CG 4.22Å; L703-Y742 HydrophobicContact CG-CG 4.35Å; L703-Y742 WeakPolarHBondContact O-CD1 3.33Å; L703-Y742 WeakPolarHBondContact O-CE1 3.43Å; L738-Y742 WeakPolarHBondContact O-CD2 3.36Å; L738-Y742 PolarHBondContact O-N 2.98Å; L739-Y742 PolarHBondContact O-N 3.23Å
743	G	90.8	Very high	93.7	Very high	21 Å²	21	31.1 Å²	31.1	22%	0.216	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	20.9	164.3	0	0	0	0	0	116.4	R708 N712 L739 I740 W741	R708-G743 PolarHBondContact NE-O 2.85Å; R708-G743 VanDerWaalsContact NE-O 3.07Å; N712-G743 PolarHBondContact ND2-O 2.93Å; L739-G743 PolarHBondContact O-N 2.88Å; I740-G743 PolarHBondContact O-N 3.04Å; W741-G743 VanDerWaalsContact C-N 3.33Å
744	V	93.3	Very high	93.6	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.036	19%	0.187	C	C	.	.			trans	-61.1	139.6	168.1	-180	0	0	0	0	110.6	V711 N712 L724 L739 V746	V711-V744 HydrophobicContact CB-CG2 4.08Å; V711-V744 HydrophobicContact CG2-CG2 3.91Å; V711-V744 WeakPolarHBondContact O-CG2 3.43Å; N712-V744 WeakPolarHBondContact OD1-CA 3.35Å; L724-V744 HydrophobicContact CB-CG1 3.79Å; L724-V744 HydrophobicContact CD2-CG1 4.26Å; L739-V744 HydrophobicContact CB-CB 4.37Å; L739-V744 HydrophobicContact CB-CG2 3.97Å; L739-V744 HydrophobicContact CD2-CG2 3.89Å; L739-V744 WeakPolarHBondContact O-CB 3.46Å; L739-V744 WeakPolarHBondContact O-CG2 3.43Å; L739-V744 PolarHBondContact O-N 2.97Å; L739-V744 VanDerWaalsContact O-N 3.14Å; V744-V746 PolarHBondContact O-N 2.93Å
745	D	91.9	Very high	93.5	Very high	60 Å²	60	32.9 Å²	32.9	32%	0.321	18%	0.184	S	C	.	.			trans	-71.6	109.5	178.8	-178.3	13.1	0	0	0	111.3	N712 T747 A748	N712-D745 PolarHBondContact OD1-N 2.93Å; D745-T747 PolarHBondContact O-N 3.33Å; D745-T747 WeakPolarHBondContact OD1-CA 3.43Å; D745-T747 WeakPolarHBondContact OD1-CB 3.48Å; D745-T747 PolarHBondContact OD1-N 2.78Å; D745-T747 PolarHBondContact OD1-OG1 3.07Å; D745-T747 PolarHBondContact OD2-OG1 2.74Å; D745-A748 HydrophobicContact CB-CB 4.13Å; D745-A748 WeakPolarHBondContact O-CB 3.29Å; D745-A748 PolarHBondContact O-N 3.35Å; D745-A748 PolarHBondContact OD2-N 3.4Å
746	V	94.8	Very high	93.4	Very high	16 Å²	16	32.8 Å²	32.8	10%	0.097	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.2	176.6	-171.8	0	0	0	0	112.1	L724 I740 V744 L772 C777	L724-V746 HydrophobicContact CD2-CG2 4.42Å; I740-V746 HydrophobicContact CG1-CG2 4.02Å; I740-V746 HydrophobicContact CG2-CG2 4.28Å; V744-V746 PolarHBondContact O-N 2.93Å; V746-L772 HydrophobicContact CG1-CD2 3.89Å; V746-C777 HydrophobicContact CG1-CB 3.63Å; V746-C777 PolarHBondContact O-SG 2.97Å
747	T	92.8	Very high	93.3	Very high	74 Å²	74	32.9 Å²	32.9	45%	0.454	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-4	-179.8	73.1	0	0	0	0	114.1	D745	D745-T747 PolarHBondContact O-N 3.33Å; D745-T747 WeakPolarHBondContact OD1-CA 3.43Å; D745-T747 WeakPolarHBondContact OD1-CB 3.48Å; D745-T747 PolarHBondContact OD1-N 2.78Å; D745-T747 PolarHBondContact OD1-OG1 3.07Å; D745-T747 PolarHBondContact OD2-OG1 2.74Å
748	A	91.8	Very high	93.2	Very high	17 Å²	17	34.4 Å²	34.4	14%	0.14	20%	0.196	C	C	.	.			trans	-56.6	149.6	177.4	0	0	0	0	0	111.9	T722 H725 D745	T722-A748 HydrophobicContact CG2-CB 4.16Å; H725-A748 PolarHBondContact CE1-O 2.87Å; H725-A748 PolarHBondContact NE2-O 3.3Å; D745-A748 HydrophobicContact CB-CB 4.13Å; D745-A748 WeakPolarHBondContact O-CB 3.29Å; D745-A748 PolarHBondContact O-N 3.35Å; D745-A748 PolarHBondContact OD2-N 3.4Å
749	R	92.6	Very high	93.2	Very high	120 Å²	120	34.9 Å²	34.9	45%	0.453	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-124.5	143.6	177.1	-68.9	177.3	-178.7	-100.5	0	110.5	G753 N754 T755 E780	R749-G753 WeakPolarHBondContact CD-O 3.32Å; R749-G753 WeakPolarHBondContact CG-O 3.2Å; R749-G753 PolarHBondContact NH1-O 2.82Å; R749-N754 CarbonylContact C-O 3.56Å; R749-N754 VanDerWaalsContact CA-O 3.25Å; R749-N754 WeakPolarHBondContact CA-O 3.47Å; R749-T755 HydrophobicContact CG-CG2 3.91Å; R749-E780 IonicContact CZ-OE1 3.37Å; R749-E780 IonicContact NH1-OE1 2.97Å; R749-E780 PolarHBondContact NH1-OE1 3.23Å; R749-E780 IonicContact NH1-OE2 3.51Å; R749-E780 IonicContact NH2-OE1 3.53Å; R749-E780 PolarHBondContact NH2-OE1 2.7Å
750	D	92.2	Very high	93.1	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.043	20%	0.197	C	C	.	.			trans	-72.3	176.5	171	75.5	7.9	0	0	0	112.3	R721 H752 G753 N754 Y759	R721-D750 HydrophobicContact CG-CB 3.87Å; D750-H752 PolarHBondContact O-N 2.72Å; D750-H752 VanDerWaalsContact OD1-C 3.31Å; D750-H752 VanDerWaalsContact OD1-CA 3.3Å; D750-H752 WeakPolarHBondContact OD1-CA 3.41Å; D750-H752 WeakPolarHBondContact OD1-CB 3.47Å; D750-H752 PolarHBondContact OD1-N 3.02Å; D750-G753 PolarHBondContact O-N 2.71Å; D750-G753 PolarHBondContact OD1-N 2.81Å; D750-N754 PolarHBondContact N-O 3.31Å; D750-N754 PolarHBondContact OD1-N 2.71Å; D750-N754 PolarHBondContact OD1-ND2 3.47Å; D750-N754 PolarHBondContact OD2-ND2 3.38Å; D750-N754 VanDerWaalsContact OD2-ND2 3.09Å; D750-Y759 VanDerWaalsContact OD2-CE2 3.25Å; D750-Y759 WeakPolarHBondContact OD2-CE2 3.42Å; D750-Y759 VanDerWaalsContact OD2-CZ 3.3Å; D750-Y759 PolarHBondContact OD2-OH 3.01Å
751	A	91.2	Very high	93.1	Very high	62 Å²	62	36.9 Å²	36.9	51%	0.512	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-11.6	179.8	0	0	0	0	0	114.2	D719	D719-A751 WeakPolarHBondContact O-CB 3.38Å; D719-A751 PolarHBondContact O-N 2.81Å
752	H	89.4	Confident	93.1	Very high	132 Å²	132	42.9 Å²	42.9	61%	0.611	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-1.4	177.4	-55.9	55.2	0	0	0	111.5	D750 N754	D750-H752 PolarHBondContact O-N 2.72Å; D750-H752 VanDerWaalsContact OD1-C 3.31Å; D750-H752 VanDerWaalsContact OD1-CA 3.3Å; D750-H752 WeakPolarHBondContact OD1-CA 3.41Å; D750-H752 WeakPolarHBondContact OD1-CB 3.47Å; D750-H752 PolarHBondContact OD1-N 3.02Å; H752-N754 WeakPolarHBondContact CB-ND2 3.34Å
753	G	90.1	Very high	93.1	Very high	28 Å²	28	42.1 Å²	42.1	29%	0.289	24%	0.238	S	C	.	.	S	Bend	trans	87.7	-0.9	-178.5	0	0	0	0	0	115.1	R749 D750	R749-G753 WeakPolarHBondContact CD-O 3.32Å; R749-G753 WeakPolarHBondContact CG-O 3.2Å; R749-G753 PolarHBondContact NH1-O 2.82Å; D750-G753 PolarHBondContact O-N 2.71Å; D750-G753 PolarHBondContact OD1-N 2.81Å
754	N	91.9	Very high	93.3	Very high	55 Å²	55	46 Å²	46	29%	0.294	26%	0.262	S	S	.	.			trans	-74.1	142.5	-178.8	-55.4	-71.7	0	0	0	111.2	H725 R749 D750 H752 A758 Y759	H725-N754 PolarHBondContact NE2-O 3.35Å; R749-N754 CarbonylContact C-O 3.56Å; R749-N754 VanDerWaalsContact CA-O 3.25Å; R749-N754 WeakPolarHBondContact CA-O 3.47Å; D750-N754 PolarHBondContact N-O 3.31Å; D750-N754 PolarHBondContact OD1-N 2.71Å; D750-N754 PolarHBondContact OD1-ND2 3.47Å; D750-N754 PolarHBondContact OD2-ND2 3.38Å; D750-N754 VanDerWaalsContact OD2-ND2 3.09Å; H752-N754 WeakPolarHBondContact CB-ND2 3.34Å; N754-A758 HydrophobicContact CB-CB 4.03Å; N754-Y759 HydrophobicContact CB-CD2 4.46Å; N754-Y759 HydrophobicContact CB-CE2 3.81Å
755	T	94.7	Very high	93.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-89.6	168.1	167	63.6	0	0	0	0	111.4	R749 L757 A758	R749-T755 HydrophobicContact CG-CG2 3.91Å; T755-L757 PolarHBondContact O-N 3.14Å; T755-L757 VanDerWaalsContact O-N 3.09Å; T755-L757 PolarHBondContact OG1-N 3.38Å; T755-A758 WeakPolarHBondContact O-CB 3.21Å; T755-A758 PolarHBondContact O-N 3.01Å
756	A	95.4	Very high	93.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-54.9	-27.1	172.2	0	0	0	0	0	113.6	L724 H725 C728 Y759 A760 L772	L724-A756 HydrophobicContact CD2-CB 4.2Å; L724-A756 HydrophobicContact CG-CB 3.83Å; H725-A756 PolarHBondContact CD2-N 2.76Å; H725-A756 PolarHBondContact NE2-N 3.08Å; C728-A756 HydrophobicContact CB-CB 4.43Å; C728-A756 WeakPolarHBondContact CB-O 3.49Å; A756-Y759 PolarHBondContact O-N 2.92Å; A756-A760 PolarHBondContact O-N 2.69Å; A756-L772 VanDerWaalsContact C-CD1 3.47Å; A756-L772 HydrophobicContact CB-CD1 3.95Å; A756-L772 HydrophobicContact CB-CD2 4.05Å
757	L	95.4	Very high	93.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-69.4	-30.7	177.5	-179.7	63.2	0	0	0	112.6	T755 R761 I769 L772 L773 C777 D779	T755-L757 PolarHBondContact O-N 3.14Å; T755-L757 VanDerWaalsContact O-N 3.09Å; T755-L757 PolarHBondContact OG1-N 3.38Å; L757-R761 WeakPolarHBondContact O-CB 3.44Å; L757-R761 WeakPolarHBondContact O-CD 3.31Å; L757-R761 VanDerWaalsContact O-CG 3.23Å; L757-R761 WeakPolarHBondContact O-CG 3.26Å; L757-R761 PolarHBondContact O-N 2.99Å; L757-R761 VanDerWaalsContact O-N 3.09Å; L757-I769 HydrophobicContact CD1-CB 4.2Å; L757-I769 HydrophobicContact CD1-CG1 4.05Å; L757-I769 HydrophobicContact CD1-CG2 4.02Å; L757-L772 VanDerWaalsContact CA-CD1 3.49Å; L757-L772 HydrophobicContact CB-CD1 4.01Å; L757-L772 HydrophobicContact CD1-CB 4.33Å; L757-L772 HydrophobicContact CD1-CD1 4.35Å; L757-L773 HydrophobicContact CD1-CG 4.42Å; L757-L773 HydrophobicContact CD2-CD2 3.88Å; L757-C777 HydrophobicContact CB-CB 4.47Å; L757-D779 HydrophobicContact CD2-CB 4.31Å
758	A	94.2	Very high	93.3	Very high	32 Å²	32	47 Å²	47	26%	0.264	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-42.6	171.9	0	0	0	0	0	110.8	N754 T755 R761 Q762	N754-A758 HydrophobicContact CB-CB 4.03Å; T755-A758 WeakPolarHBondContact O-CB 3.21Å; T755-A758 PolarHBondContact O-N 3.01Å; A758-R761 PolarHBondContact O-N 3.4Å; A758-Q762 PolarHBondContact O-N 3.11Å
759	Y	94.9	Very high	93.4	Very high	11 Å²	11	47.2 Å²	47.2	4%	0.043	26%	0.258	C	S	.	.	H	α-helix	trans	-67.5	-40.3	175.9	-72.6	-77.3	0	0	0	113.1	R721 H725 R729 D750 N754 A756 R761 Q762 A763	R721-Y759 VanDerWaalsContact CZ-OH 3.32Å; R721-Y759 VanDerWaalsContact NE-CZ 3.35Å; R721-Y759 PolarHBondContact NE-OH 2.9Å; R721-Y759 PolarHBondContact NH2-OH 2.79Å; H725-Y759 HydrophobicContact CB-CD2 4.19Å; H725-Y759 HydrophobicContact CB-CE2 4.43Å; H725-Y759 AromaticContact CD2-CD2 3.71Å; H725-Y759 AromaticContact CD2-CE2 3.76Å; R729-Y759 HydrophobicContact CB-CD1 3.86Å; R729-Y759 HydrophobicContact CB-CG 4.3Å; R729-Y759 HydrophobicContact CG-CD1 3.92Å; D750-Y759 VanDerWaalsContact OD2-CE2 3.25Å; D750-Y759 WeakPolarHBondContact OD2-CE2 3.42Å; D750-Y759 VanDerWaalsContact OD2-CZ 3.3Å; D750-Y759 PolarHBondContact OD2-OH 3.01Å; N754-Y759 HydrophobicContact CB-CD2 4.46Å; N754-Y759 HydrophobicContact CB-CE2 3.81Å; A756-Y759 PolarHBondContact O-N 2.92Å; Y759-R761 VanDerWaalsContact C-N 3.26Å; Y759-R761 PolarHBondContact O-N 2.9Å; Y759-Q762 PolarHBondContact O-N 2.87Å; Y759-A763 WeakPolarHBondContact O-CB 3.32Å; Y759-A763 PolarHBondContact O-N 2.78Å
760	A	96	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-39.7	173.9	0	0	0	0	0	111.9	C728 A756 A763 S764 S765 C768 I769 L772	C728-A760 HydrophobicContact CB-CB 4.07Å; A756-A760 PolarHBondContact O-N 2.69Å; A760-A763 PolarHBondContact O-N 3.16Å; A760-S764 PolarHBondContact O-N 3.03Å; A760-S764 VanDerWaalsContact O-N 3.13Å; A760-S765 PolarHBondContact O-N 3.4Å; A760-S765 VanDerWaalsContact O-N 3.17Å; A760-C768 HydrophobicContact CB-CB 3.7Å; A760-I769 HydrophobicContact CB-CG1 3.87Å; A760-L772 HydrophobicContact CB-CD1 3.98Å
761	R	94.5	Very high	93.3	Very high	57 Å²	57	44.7 Å²	44.7	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-39.4	174.6	-72.8	167.2	174.5	-178.2	-5.2	112.7	L757 A758 Y759 S764 I769 D779	L757-R761 WeakPolarHBondContact O-CB 3.44Å; L757-R761 WeakPolarHBondContact O-CD 3.31Å; L757-R761 VanDerWaalsContact O-CG 3.23Å; L757-R761 WeakPolarHBondContact O-CG 3.26Å; L757-R761 PolarHBondContact O-N 2.99Å; L757-R761 VanDerWaalsContact O-N 3.09Å; A758-R761 PolarHBondContact O-N 3.4Å; Y759-R761 VanDerWaalsContact C-N 3.26Å; Y759-R761 PolarHBondContact O-N 2.9Å; R761-S764 PolarHBondContact O-N 3.06Å; R761-S764 VanDerWaalsContact O-N 3.17Å; R761-I769 HydrophobicContact CB-CD1 4.46Å; R761-I769 HydrophobicContact CG-CD1 3.6Å; R761-I769 HydrophobicContact CG-CG1 3.9Å; R761-D779 IonicContact CZ-OD1 3.48Å; R761-D779 IonicContact CZ-OD2 3.95Å; R761-D779 IonicContact NH1-OD1 3.82Å; R761-D779 PolarHBondContact NH1-OD1 2.82Å; R761-D779 IonicContact NH1-OD2 2.81Å; R761-D779 IonicContact NH2-OD1 2.68Å; R761-D779 PolarHBondContact NH2-OD1 3.04Å; R761-D779 VanDerWaalsContact NH2-OD1 3.08Å; R761-D779 IonicContact NH2-OD2 2.82Å; R761-D779 PolarHBondContact NH2-OD2 2.92Å
762	Q	93.8	Very high	93.5	Very high	142 Å²	142	41.8 Å²	41.8	66%	0.664	23%	0.229	S	C	*	.	H	α-helix	trans	-63.6	-41.2	173.8	-171.3	-178	13.1	0	0	111.7	A758 Y759 S764	A758-Q762 PolarHBondContact O-N 3.11Å; Y759-Q762 PolarHBondContact O-N 2.87Å; Q762-S764 PolarHBondContact O-N 2.87Å
763	A	93.9	Very high	93.6	Very high	38 Å²	38	38.7 Å²	38.7	31%	0.314	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.5	175.1	0	0	0	0	0	113.8	C728 Y759 A760 S765	C728-A763 WeakPolarHBondContact O-CB 3.45Å; Y759-A763 WeakPolarHBondContact O-CB 3.32Å; Y759-A763 PolarHBondContact O-N 2.78Å; A760-A763 PolarHBondContact O-N 3.16Å; A763-S765 PolarHBondContact O-N 2.76Å; A763-S765 VanDerWaalsContact O-N 3.14Å
764	S	94.6	Very high	93.7	Very high	103 Å²	103	43.9 Å²	43.9	72%	0.72	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	21.7	-174.3	-54.8	0	0	0	0	114.9	A760 R761 Q762 Q766	A760-S764 PolarHBondContact O-N 3.03Å; A760-S764 VanDerWaalsContact O-N 3.13Å; R761-S764 PolarHBondContact O-N 3.06Å; R761-S764 VanDerWaalsContact O-N 3.17Å; Q762-S764 PolarHBondContact O-N 2.87Å; S764-Q766 PolarHBondContact O-N 2.9Å
765	S	94.4	Very high	93.6	Very high	10 Å²	10	45.4 Å²	45.4	7%	0.07	24%	0.236	C	C	.	.			trans	-83	107.7	175.2	172.8	0	0	0	0	110.1	A760 A763 E767 C768 I769	A760-S765 PolarHBondContact O-N 3.4Å; A760-S765 VanDerWaalsContact O-N 3.17Å; A763-S765 PolarHBondContact O-N 2.76Å; A763-S765 VanDerWaalsContact O-N 3.14Å; S765-E767 VanDerWaalsContact C-N 3.28Å; S765-E767 PolarHBondContact O-N 3.31Å; S765-E767 PolarHBondContact OG-OE2 2.81Å; S765-C768 PolarHBondContact O-N 3.34Å; S765-C768 PolarHBondContact OG-N 2.81Å; S765-I769 WeakPolarHBondContact O-CG1 3.28Å; S765-I769 PolarHBondContact O-N 3Å
766	Q	91.7	Very high	93.2	Very high	106 Å²	106	47.7 Å²	47.7	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-36	176.4	-174.4	56.1	47.8	0	0	111.3	S764 I769 D770	S764-Q766 PolarHBondContact O-N 2.9Å; Q766-I769 WeakPolarHBondContact O-CB 3.41Å; Q766-I769 PolarHBondContact O-N 3.13Å; Q766-D770 WeakPolarHBondContact CG-OD2 3.5Å; Q766-D770 PolarHBondContact NE2-OD1 3.4Å; Q766-D770 PolarHBondContact NE2-OD2 2.58Å; Q766-D770 VanDerWaalsContact O-CG 3.29Å; Q766-D770 PolarHBondContact O-N 2.88Å
767	E	91.6	Very high	92.9	Very high	61 Å²	61	48 Å²	48	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-70.4	-38.8	-178.7	-46.3	94.1	138.9	0	0	111.8	K626 V733 S765 I769 D770 V771	K626-E767 VanDerWaalsContact NZ-CD 3.3Å; K626-E767 IonicContact NZ-OE1 3.75Å; K626-E767 PolarHBondContact NZ-OE1 3.45Å; V733-E767 HydrophobicContact CB-CB 4.15Å; V733-E767 HydrophobicContact CG1-CB 4.39Å; V733-E767 HydrophobicContact CG2-CB 3.88Å; S765-E767 VanDerWaalsContact C-N 3.28Å; S765-E767 PolarHBondContact O-N 3.31Å; S765-E767 PolarHBondContact OG-OE2 2.81Å; E767-I769 VanDerWaalsContact C-N 3.32Å; E767-I769 PolarHBondContact O-N 3.49Å; E767-D770 PolarHBondContact O-N 2.98Å; E767-V771 VanDerWaalsContact O-CG2 3.3Å; E767-V771 WeakPolarHBondContact O-CG2 3.48Å; E767-V771 PolarHBondContact O-N 3.43Å
768	C	94.4	Very high	92.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-35.9	170.6	-73.1	0	0	0	0	112.1	G731 A760 S765 L772	G731-C768 VanDerWaalsContact C-SG 3.52Å; A760-C768 HydrophobicContact CB-CB 3.7Å; S765-C768 PolarHBondContact O-N 3.34Å; S765-C768 PolarHBondContact OG-N 2.81Å; C768-L772 WeakPolarHBondContact O-CB 3.43Å; C768-L772 WeakPolarHBondContact O-CD1 3.36Å; C768-L772 WeakPolarHBondContact O-CG 3.44Å; C768-L772 PolarHBondContact O-N 3.17Å; C768-L772 VanDerWaalsContact O-N 3.11Å
769	I	93.9	Very high	91.6	Very high	20 Å²	20	51 Å²	51	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-49.1	174.3	-71.2	166.2	0	0	0	110.3	L757 A760 R761 S765 Q766 E767 L772 L773	L757-I769 HydrophobicContact CD1-CB 4.2Å; L757-I769 HydrophobicContact CD1-CG1 4.05Å; L757-I769 HydrophobicContact CD1-CG2 4.02Å; A760-I769 HydrophobicContact CB-CG1 3.87Å; R761-I769 HydrophobicContact CB-CD1 4.46Å; R761-I769 HydrophobicContact CG-CD1 3.6Å; R761-I769 HydrophobicContact CG-CG1 3.9Å; S765-I769 WeakPolarHBondContact O-CG1 3.28Å; S765-I769 PolarHBondContact O-N 3Å; Q766-I769 WeakPolarHBondContact O-CB 3.41Å; Q766-I769 PolarHBondContact O-N 3.13Å; E767-I769 VanDerWaalsContact C-N 3.32Å; E767-I769 PolarHBondContact O-N 3.49Å; I769-L772 PolarHBondContact O-N 2.79Å; I769-L773 HydrophobicContact CG2-CD1 3.75Å; I769-L773 HydrophobicContact CG2-CG 4.44Å; I769-L773 VanDerWaalsContact O-CG 3.31Å; I769-L773 WeakPolarHBondContact O-CG 3.25Å; I769-L773 PolarHBondContact O-N 3.07Å
770	D	91.2	Very high	90.3	Very high	73 Å²	73	54.3 Å²	54.3	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-70.5	-38.8	-173.6	-67.7	-29.3	0	0	0	112.2	Q766 E767 Q774	Q766-D770 WeakPolarHBondContact CG-OD2 3.5Å; Q766-D770 PolarHBondContact NE2-OD1 3.4Å; Q766-D770 PolarHBondContact NE2-OD2 2.58Å; Q766-D770 VanDerWaalsContact O-CG 3.29Å; Q766-D770 PolarHBondContact O-N 2.88Å; E767-D770 PolarHBondContact O-N 2.98Å; D770-Q774 VanDerWaalsContact O-CB 3.29Å; D770-Q774 WeakPolarHBondContact O-CB 3.45Å; D770-Q774 PolarHBondContact O-N 3.42Å
771	V	93	Very high	88.5	Confident	2 Å²	2	63 Å²	63	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-59.4	-51.3	169.2	173.1	0	0	0	0	110.6	E623 V733 I740 E767 L773 Q774 Y775	E623-V771 HydrophobicContact CB-CG2 3.99Å; E623-V771 HydrophobicContact CG-CG2 3.54Å; V733-V771 HydrophobicContact CG2-CG2 3.83Å; I740-V771 HydrophobicContact CD1-CG1 3.58Å; E767-V771 VanDerWaalsContact O-CG2 3.3Å; E767-V771 WeakPolarHBondContact O-CG2 3.48Å; E767-V771 PolarHBondContact O-N 3.43Å; V771-L773 VanDerWaalsContact C-N 3.31Å; V771-L773 PolarHBondContact O-N 3.37Å; V771-Q774 WeakPolarHBondContact O-CB 3.47Å; V771-Q774 PolarHBondContact O-N 2.98Å; V771-Q774 VanDerWaalsContact O-N 3.15Å; V771-Y775 HydrophobicContact CG1-CD2 3.93Å; V771-Y775 HydrophobicContact CG1-CE2 4.16Å; V771-Y775 VanDerWaalsContact O-CD2 3.31Å; V771-Y775 WeakPolarHBondContact O-CD2 3.38Å; V771-Y775 PolarHBondContact O-N 3.45Å
772	L	94.3	Very high	86.1	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-40.9	-177.4	-76.8	174.3	0	0	0	112.3	L724 I740 V746 A756 L757 A760 C768 I769 Y775 G776 C777	L724-L772 HydrophobicContact CD1-CD2 4.33Å; L724-L772 HydrophobicContact CD2-CD2 3.99Å; L724-L772 HydrophobicContact CG-CD2 4.33Å; I740-L772 HydrophobicContact CD1-CD2 4.17Å; V746-L772 HydrophobicContact CG1-CD2 3.89Å; A756-L772 VanDerWaalsContact C-CD1 3.47Å; A756-L772 HydrophobicContact CB-CD1 3.95Å; A756-L772 HydrophobicContact CB-CD2 4.05Å; L757-L772 VanDerWaalsContact CA-CD1 3.49Å; L757-L772 HydrophobicContact CB-CD1 4.01Å; L757-L772 HydrophobicContact CD1-CB 4.33Å; L757-L772 HydrophobicContact CD1-CD1 4.35Å; A760-L772 HydrophobicContact CB-CD1 3.98Å; C768-L772 WeakPolarHBondContact O-CB 3.43Å; C768-L772 WeakPolarHBondContact O-CD1 3.36Å; C768-L772 WeakPolarHBondContact O-CG 3.44Å; C768-L772 PolarHBondContact O-N 3.17Å; C768-L772 VanDerWaalsContact O-N 3.11Å; I769-L772 PolarHBondContact O-N 2.79Å; L772-Y775 PolarHBondContact O-N 3.34Å; L772-G776 PolarHBondContact O-N 3.16Å; L772-C777 HydrophobicContact CB-CB 3.83Å; L772-C777 HydrophobicContact CD2-CB 4.45Å; L772-C777 WeakPolarHBondContact O-CB 3.44Å; L772-C777 PolarHBondContact O-N 3.07Å
773	L	92.4	Very high	83.2	Confident	68 Å²	68	66.7 Å²	66.7	36%	0.356	35%	0.349	S	S	.	.	H	α-helix	trans	-66.9	-40.6	175.5	-68.6	172.5	0	0	0	111.8	L757 I769 V771 Y775 G776 D779	L757-L773 HydrophobicContact CD1-CG 4.42Å; L757-L773 HydrophobicContact CD2-CD2 3.88Å; I769-L773 HydrophobicContact CG2-CD1 3.75Å; I769-L773 HydrophobicContact CG2-CG 4.44Å; I769-L773 VanDerWaalsContact O-CG 3.31Å; I769-L773 WeakPolarHBondContact O-CG 3.25Å; I769-L773 PolarHBondContact O-N 3.07Å; V771-L773 VanDerWaalsContact C-N 3.31Å; V771-L773 PolarHBondContact O-N 3.37Å; L773-Y775 VanDerWaalsContact C-N 3.3Å; L773-Y775 PolarHBondContact O-N 3.04Å; L773-G776 PolarHBondContact O-N 3.47Å; L773-G776 VanDerWaalsContact O-N 3.08Å; L773-D779 HydrophobicContact CD2-CB 4.15Å
774	Q	90.8	Very high	80.5	Confident	137 Å²	137	73 Å²	73	64%	0.64	38%	0.376	S	S	*	.	H	α-helix	trans	-59.4	-38.4	175.9	-174.9	-174.4	54.9	0	0	112.5	D770 V771 G776	D770-Q774 VanDerWaalsContact O-CB 3.29Å; D770-Q774 WeakPolarHBondContact O-CB 3.45Å; D770-Q774 PolarHBondContact O-N 3.42Å; V771-Q774 WeakPolarHBondContact O-CB 3.47Å; V771-Q774 PolarHBondContact O-N 2.98Å; V771-Q774 VanDerWaalsContact O-N 3.15Å; Q774-G776 VanDerWaalsContact C-N 3.32Å
775	Y	89.4	Confident	77.7	Confident	86 Å²	86	77.5 Å²	77.5	34%	0.337	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	12.8	177.2	-69.4	-88.5	0	0	0	113.9	I740 W741 V771 L772 L773	I740-Y775 HydrophobicContact CG2-CD1 3.52Å; I740-Y775 HydrophobicContact CG2-CD2 3.88Å; I740-Y775 HydrophobicContact CG2-CE1 3.96Å; I740-Y775 HydrophobicContact CG2-CE2 4.3Å; I740-Y775 HydrophobicContact CG2-CG 3.49Å; I740-Y775 VanDerWaalsContact CG2-CG 3.49Å; W741-Y775 AromaticContact NE1-CZ 3.68Å; W741-Y775 PolarHBondContact NE1-OH 2.76Å; V771-Y775 HydrophobicContact CG1-CD2 3.93Å; V771-Y775 HydrophobicContact CG1-CE2 4.16Å; V771-Y775 VanDerWaalsContact O-CD2 3.31Å; V771-Y775 WeakPolarHBondContact O-CD2 3.38Å; V771-Y775 PolarHBondContact O-N 3.45Å; L772-Y775 PolarHBondContact O-N 3.34Å; L773-Y775 VanDerWaalsContact C-N 3.3Å; L773-Y775 PolarHBondContact O-N 3.04Å
776	G	86.8	Confident	74.7	Confident	50 Å²	50	81 Å²	81	52%	0.515	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	23.2	167.4	0	0	0	0	0	116.2	L772 L773 Q774	L772-G776 PolarHBondContact O-N 3.16Å; L773-G776 PolarHBondContact O-N 3.47Å; L773-G776 VanDerWaalsContact O-N 3.08Å; Q774-G776 VanDerWaalsContact C-N 3.32Å
777	C	88.6	Confident	71.7	Confident	7 Å²	7	81.7 Å²	81.7	5%	0.047	43%	0.43	C	S	.	.			trans	-61.2	132.4	172.1	-161.8	0	0	0	0	110.8	V746 L757 L772 D779	V746-C777 HydrophobicContact CG1-CB 3.63Å; V746-C777 PolarHBondContact O-SG 2.97Å; L757-C777 HydrophobicContact CB-CB 4.47Å; L772-C777 HydrophobicContact CB-CB 3.83Å; L772-C777 HydrophobicContact CD2-CB 4.45Å; L772-C777 WeakPolarHBondContact O-CB 3.44Å; L772-C777 PolarHBondContact O-N 3.07Å; C777-D779 PolarHBondContact O-N 2.92Å
778	P	82.9	Confident	68.9	Low	55 Å²	55	84.7 Å²	84.7	36%	0.357	45%	0.454	S	S	.	.			trans	-63.2	124.6	179.8	-23.3	33.9	0	0	0	112.9	E780	P778-E780 PolarHBondContact O-N 3.07Å
779	D	80.6	Confident	65.8	Low	43 Å²	43	92.2 Å²	92.2	23%	0.23	50%	0.495	C	S	.	.			trans	-85.3	105.1	169.6	-167.3	-8.6	0	0	0	111.4	L757 R761 L773 C777 R781	L757-D779 HydrophobicContact CD2-CB 4.31Å; R761-D779 IonicContact CZ-OD1 3.48Å; R761-D779 IonicContact CZ-OD2 3.95Å; R761-D779 IonicContact NH1-OD1 3.82Å; R761-D779 PolarHBondContact NH1-OD1 2.82Å; R761-D779 IonicContact NH1-OD2 2.81Å; R761-D779 IonicContact NH2-OD1 2.68Å; R761-D779 PolarHBondContact NH2-OD1 3.04Å; R761-D779 VanDerWaalsContact NH2-OD1 3.08Å; R761-D779 IonicContact NH2-OD2 2.82Å; R761-D779 PolarHBondContact NH2-OD2 2.92Å; L773-D779 HydrophobicContact CD2-CB 4.15Å; C777-D779 PolarHBondContact O-N 2.92Å; D779-R781 PolarHBondContact O-N 2.6Å; D779-R781 VanDerWaalsContact O-N 3.11Å; D779-R781 VanDerWaalsContact OD1-CB 3.29Å; D779-R781 WeakPolarHBondContact OD1-CB 3.29Å; D779-R781 VanDerWaalsContact OD1-CG 3.25Å; D779-R781 WeakPolarHBondContact OD1-CG 3.13Å; D779-R781 PolarHBondContact OD1-N 2.96Å
780	E	67.8	Low	62.9	Low	80 Å²	80	99.1 Å²	99.1	37%	0.374	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-68.7	-7.1	-178.8	-53.1	-157.2	113.7	0	0	114.3	R749 P778 F782 V783	R749-E780 IonicContact CZ-OE1 3.37Å; R749-E780 IonicContact NH1-OE1 2.97Å; R749-E780 PolarHBondContact NH1-OE1 3.23Å; R749-E780 IonicContact NH1-OE2 3.51Å; R749-E780 IonicContact NH2-OE1 3.53Å; R749-E780 PolarHBondContact NH2-OE1 2.7Å; P778-E780 PolarHBondContact O-N 3.07Å; E780-F782 PolarHBondContact O-N 3.29Å; E780-V783 PolarHBondContact O-N 3.03Å
781	R	58.1	Low	59.9	Low	182 Å²	182	100.9 Å²	100.9	69%	0.687	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-58.9	-16	175.8	-74.3	174.6	174	177	-1.7	114.7	D779	D779-R781 PolarHBondContact O-N 2.6Å; D779-R781 VanDerWaalsContact O-N 3.11Å; D779-R781 VanDerWaalsContact OD1-CB 3.29Å; D779-R781 WeakPolarHBondContact OD1-CB 3.29Å; D779-R781 VanDerWaalsContact OD1-CG 3.25Å; D779-R781 WeakPolarHBondContact OD1-CG 3.13Å; D779-R781 PolarHBondContact OD1-N 2.96Å
782	F	43.1	Very low	56.9	Low	179 Å²	179	112.4 Å²	112.4	79%	0.785	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-113.7	3	-176.2	-74.3	-81.3	0	0	0	115.4	E780 L784	E780-F782 PolarHBondContact O-N 3.29Å; F782-L784 PolarHBondContact O-N 3.46Å
783	V	34.5	Very low	53.8	Low	98 Å²	98	122.9 Å²	122.9	59%	0.594	63%	0.632	S	S	*	*			trans	-88.4	66.3	-170	-168.7	0	0	0	0	112.8	E780	E780-V783 PolarHBondContact O-N 3.03Å
784	L	37	Very low	50.7	Low	171 Å²	171	127.1 Å²	127.1	90%	0.895	66%	0.655	S	S	*	*			trans	-142.1	35.7	165.4	-85.8	-170.4	0	0	0	115	F782	F782-L784 PolarHBondContact O-N 3.46Å
785	M	34.8	Very low	47.9	Very low	197 Å²	197	127.3 Å²	127.3	97%	0.97	66%	0.66	S	S	*	*			trans	-135.3	52.8	156.3	-77.4	-154.8	175.9	0	0	112.5
786	A	31.1	Very low	45.1	Very low	85 Å²	85	130.1 Å²	130.1	70%	0.702	68%	0.681	S	S	*	*			trans	-114.9	126.4	160.1	0	0	0	0	0	108.6
787	T	29.6	Very low	42.5	Very low	119 Å²	119	139.2 Å²	139.2	73%	0.73	70%	0.7	S	S	*	*			trans	-66.9	143.8	174.4	39.1	0	0	0	0	110.5	N789	T787-N789 PolarHBondContact O-N 3.08Å
788	P	33.3	Very low	39.7	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	74%	0.737	S	S	*	*			trans	-68.5	103.5	-177.7	27	-33.9	0	0	0	110.4	L790	P788-L790 PolarHBondContact O-N 3.03Å; P788-L790 VanDerWaalsContact O-N 3.08Å
789	N	29.2	Very low	37.3	Very low	159 Å²	159	151.2 Å²	151.2	85%	0.85	76%	0.76	S	S	*	*			trans	-67.5	106.9	173.2	-91.9	-56.4	0	0	0	109.8	T787 S791	T787-N789 PolarHBondContact O-N 3.08Å; N789-S791 PolarHBondContact O-N 3.3Å
790	L	31.6	Very low	35	Very low	165 Å²	165	153.6 Å²	153.6	86%	0.864	78%	0.781	S	S	*	*			trans	-53.1	135	175.3	-78.6	159.1	0	0	0	111.3	P788 R792	P788-L790 PolarHBondContact O-N 3.03Å; P788-L790 VanDerWaalsContact O-N 3.08Å; L790-R792 PolarHBondContact O-N 2.97Å
791	S	29.3	Very low	33.2	Very low	110 Å²	110	155.6 Å²	155.6	77%	0.769	80%	0.803	S	S	*	*			trans	-57.4	107.2	-173	56.6	0	0	0	0	112.5	N789 R793	N789-S791 PolarHBondContact O-N 3.3Å; S791-R793 VanDerWaalsContact C-N 3.28Å; S791-R793 PolarHBondContact O-N 2.93Å
792	R	29.5	Very low	31.8	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	81%	0.808	S	S	*	*			trans	-79.5	76.5	179.8	-146	175.4	-165.4	175.6	4.6	110.9	L790 N794	L790-R792 PolarHBondContact O-N 2.97Å; R792-N794 PolarHBondContact O-N 2.89Å
793	R	30.2	Very low	31.3	Very low	222 Å²	222	153.7 Å²	153.7	84%	0.838	81%	0.814	S	S	*	*			trans	-59	94.5	-179.9	-169.8	-179.4	-168.2	173.2	5.1	110.9	S791 N795	S791-R793 VanDerWaalsContact C-N 3.28Å; S791-R793 PolarHBondContact O-N 2.93Å; R793-N795 PolarHBondContact O-N 3.34Å; R793-N795 VanDerWaalsContact O-N 3.17Å
794	N	27.6	Very low	31.1	Very low	156 Å²	156	155 Å²	155	83%	0.834	82%	0.822	S	S	*	*			trans	-84.8	91.3	-172	-162.5	25.3	0	0	0	111.6	R792 N796	R792-N794 PolarHBondContact O-N 2.89Å; N794-N796 PolarHBondContact O-N 3.17Å
795	N	30.5	Very low	31.7	Very low	142 Å²	142	152.1 Å²	152.1	76%	0.759	81%	0.814	S	S	*	*			trans	-72.5	112.5	169.7	-89.3	-2.2	0	0	0	110	R793	R793-N795 PolarHBondContact O-N 3.34Å; R793-N795 VanDerWaalsContact O-N 3.17Å
796	N	30.5	Very low	31.5	Very low	144 Å²	144	148 Å²	148	77%	0.77	80%	0.799	S	S	*	*			trans	-151.3	91.5	152.5	-140.5	0.9	0	0	0	111.7	N794	N794-N796 PolarHBondContact O-N 3.17Å
797	R	33.1	Very low	31.8	Very low	242 Å²	242	151.1 Å²	151.1	91%	0.913	80%	0.803	S	S	*	*			trans	-118	94.7	173.2	-150.5	177.6	-167.1	176.6	3.9	107.4	N799	R797-N799 PolarHBondContact O-N 3.23Å
798	N	29.6	Very low	32.4	Very low	156 Å²	156	156.7 Å²	156.7	83%	0.834	83%	0.826	S	S	*	*			trans	-58.4	122.9	169.5	-84.2	-12.9	0	0	0	108.4
799	N	32.3	Very low	32.4	Very low	157 Å²	157	158.3 Å²	158.3	84%	0.84	83%	0.827	S	S	*	*			trans	-139.4	140.5	160.8	-160.6	19.5	0	0	0	109	R797	R797-N799 PolarHBondContact O-N 3.23Å
800	S	31.6	Very low	32.5	Very low	94 Å²	94	158.3 Å²	158.3	66%	0.657	83%	0.826	S	S	*	*			trans	-94.7	149.3	-167.1	48	0	0	0	0	113.4
801	S	31.1	Very low	32.6	Very low	122 Å²	122	157.9 Å²	157.9	85%	0.853	82%	0.823	S	S	*	*			trans	58.2	109.6	154.1	54.2	0	0	0	0	119.4
802	G	29.2	Very low	32.8	Very low	75 Å²	75	160.7 Å²	160.7	77%	0.773	83%	0.827	S	S	*	*			trans	-171.1	122.9	162.4	0	0	0	0	0	111.9
803	R	30.9	Very low	33	Very low	246 Å²	246	155.5 Å²	155.5	93%	0.928	82%	0.821	S	S	*	*			trans	-75.7	139.7	177.1	-58.5	169.4	174.7	162.2	-4.7	108.9
804	V	32.2	Very low	33.2	Very low	125 Å²	125	151.1 Å²	151.1	76%	0.758	82%	0.82	S	S	*	*			cis	66.7	136.4	46.5	-178.4	0	0	0	0	112.7
805	P	48.7	Very low	33.6	Very low	111 Å²	111	150.7 Å²	150.7	72%	0.721	82%	0.819	S	S	*	*			cis	-106.3	-138.7	-7.9	22.6	2	0	0	0	110.4
806	T	31.4	Very low	33.8	Very low	109 Å²	109	151.4 Å²	151.4	67%	0.669	82%	0.823	S	S	*	*			cis	-167.2	163.1	4.2	-14.6	0	0	0	0	110.2
807	I	35.7	Very low	34.1	Very low	152 Å²	152	152 Å²	152	78%	0.779	83%	0.828	S	S	*	*			trans	67.4	125.9	149.2	-73.4	161.5	0	0	0	117.4
808	I	43.3	Very low	34.2	Very low	235 Å²	235	143.8 Å²	143.8	100%	1.205	82%	0.82	S	S	*	*			cis	-116.2	0	-4.4	-60.3	179.3	0	0	0	108.7

Retrieved 808 of 808 residues in 178.2 ms (Link to these results)

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