A0A096NNQ5_PAPAN Loading...

FACT complex subunit

Component of the FACT complex, a general chromatin factor that acts to reorganize nucleosomes. The FACT complex is involved in multiple processes that require DNA as a template such as mRNA elongation, DNA replication and DNA repair. During transcription elongation the FACT complex acts as a histone chaperone that both destabilizes and restores nucleosomal structure. It facilitates the passage of RNA polymerase II and transcription by promoting the dissociation of one histone H2A-H2B dimer from the nucleosome, then subsequently promotes the reestablishment of the nucleosome following the passage of RNA polymerase II. The FACT complex is probably also involved in phosphorylation of 'Ser-392' of p53/TP53 via its association with CK2 (casein kinase II).

AlphaFold DB (Q9Y5B9), UniProt , Accession A0A096NNQ5, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 1,047 aa.

						>A0A096NNQ5_PAPAN|A0A096NNQ5
MAVTLDKDAYYRRVKRLYSNWRKGEDEYANVDAIVVSVGVDEEIVYAKSTALQTWLFGYELTDTIMVFCDDKIIFMASKKKVEFLKQIANTKGNENANGAPAITLLIREKNESNKSSFDKMIEAIKESKNGKKIGVFSKDKFPGEFMKSWNDCLNKEGFDKIDISAVVAYTIAVKEDGELNLMKKAASITSEVFNKFFKERVMEIVDADEKVRHSKLAESVEKAIEEKKYLAGADPSTVEMCYPPIIQSGGNYNLKFSVVSDKNHMHFGAITCAMGIRFKSYCSNLVRTLMVDPSQEVQENYNFLLQLQEELLKELRHGVKICDVYNAVMDVVKKQKPELLNKITKNLGFGMGIEFREGSLVINSKNQYKLKKGMVFSINLGFSDLTNKEGKKPEEKTYALFIGDTVLVDEDGPATVLTSVKKKVKNVGIFLKNEDEEEEEEEKDEAEDLLGRGSRAALLTERTRNEMTAEEKRRAHQKELAAQLNEEAKRRLTEQKGEQQIQKARKSNVSYKNPSLMPKEPHIREMKIYIDKKYETVIMPVFGIATPFHIATIKNISMSVEGDYTYLRINFYCPGSALGRNEGNIFPNPEATFVKEITYRASNIKAPGEQTVPALNLQNAFRIIKEVQKRYKTREAEEKEKEGIVKQDSLVINLNRSNPKLKDLYIRPNIAQKRMQGSLEAHVNGFRFTSVRGDKVDILYNNIKHALFQPCDGEMIIVLHFHLKNAIMFGKKRHTDVQFYTEVGEITTDLGKHQHMHDRDDLYAEQMEREMRHKLKTAFKNFIEKVEALTKEELEFEVPFRDLGFNGAPYRSTCLLQPTSSALVNATEWPPFVVTLDEVELIHFERVQFHLKNFDMVIVYKDYSKKVTMINAIPVASLDPIKEWLNSCDLKYTEGVQSLNWTKIMKTIVDDPEGFFEQGGWSFLEPEGEGSDAEEGDSESEIEDETFNPSEDDYEEEEEDSDEDYSSEAEESDYSKESLGSEEESGKDWDELEEEARKADRESRYEEEEEQSRSMSRKRKASVHSSGRGSNRGSRHSSAPPKKKRK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	78.5	Confident	239 Å²	239	76.6 Å²	76.6	100%	1.177	43%	0.426	S	S	*	.				0	137.3	0	-66.9	176.1	-158.5	0	0	107.9	V3	M1-V3 PolarHBondContact O-N 3.16Å
2	A	55.1	Low	79.5	Confident	90 Å²	90	81 Å²	81	74%	0.744	43%	0.431	S	S	*	.			trans	-62.4	132.7	168.7	0	0	0	0	0	108	T4	A2-T4 PolarHBondContact O-N 3.03Å; A2-T4 PolarHBondContact O-OG1 2.99Å
3	V	68.9	Low	80.6	Confident	78 Å²	78	76.7 Å²	76.7	47%	0.473	41%	0.406	S	S	.	.			trans	-68.1	114.9	177.4	-177.3	0	0	0	0	107.6	M1 Y59 F84 Q87	M1-V3 PolarHBondContact O-N 3.16Å; V3-Y59 HydrophobicContact CG1-CD1 4.35Å; V3-Y59 HydrophobicContact CG1-CD2 3.94Å; V3-Y59 HydrophobicContact CG1-CE1 3.8Å; V3-Y59 HydrophobicContact CG1-CE2 3.35Å; V3-Y59 HydrophobicContact CG1-CG 4.42Å; V3-F84 HydrophobicContact CB-CD2 4.46Å; V3-F84 HydrophobicContact CB-CE2 4.32Å; V3-F84 HydrophobicContact CG1-CD2 4.39Å; V3-F84 HydrophobicContact CG1-CE2 3.81Å; V3-F84 VanDerWaalsContact O-CD2 3.3Å; V3-F84 WeakPolarHBondContact O-CD2 3.11Å; V3-F84 WeakPolarHBondContact O-CE2 3.41Å; V3-Q87 PolarHBondContact O-NE2 3.45Å
4	T	79.5	Confident	81.4	Confident	102 Å²	102	71.2 Å²	71.2	63%	0.626	38%	0.377	S	S	*	.			trans	-97	134.2	-176.8	-45.7	0	0	0	0	109.9	A2	A2-T4 PolarHBondContact O-N 3.03Å; A2-T4 PolarHBondContact O-OG1 2.99Å
5	L	83.3	Confident	82.1	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.021	39%	0.385	C	S	.	.			trans	-87.6	129.2	176	-169.1	163.9	0	0	0	109.2	K7 F57 F84 L85 Q87 I88	L5-K7 PolarHBondContact O-N 3.13Å; L5-F57 HydrophobicContact CD1-CD1 3.96Å; L5-F84 HydrophobicContact CB-CE1 4.35Å; L5-F84 HydrophobicContact CB-CE2 3.76Å; L5-F84 HydrophobicContact CB-CZ 3.63Å; L5-F84 HydrophobicContact CD1-CD1 4.41Å; L5-F84 HydrophobicContact CD1-CE1 3.78Å; L5-F84 HydrophobicContact CD1-CZ 3.9Å; L5-F84 HydrophobicContact CG-CE1 4.3Å; L5-F84 HydrophobicContact CG-CZ 3.92Å; L5-L85 HydrophobicContact CD1-CD2 4.32Å; L5-Q87 HydrophobicContact CB-CB 4.43Å; L5-Q87 VanDerWaalsContact N-OE1 3.11Å; L5-I88 HydrophobicContact CD1-CD1 4.17Å; L5-I88 HydrophobicContact CD1-CG1 4.31Å; L5-I88 HydrophobicContact CD1-CG2 4.01Å; L5-I88 HydrophobicContact CD2-CG2 3.47Å; L5-I88 VanDerWaalsContact CD2-CG2 3.47Å; L5-I88 HydrophobicContact CG-CG2 4.36Å
6	D	88.3	Confident	82.7	Confident	96 Å²	96	73.4 Å²	73.4	51%	0.513	38%	0.375	S	S	.	.			trans	-71.2	94.2	172.6	-175.5	-17.5	0	0	0	110.5	D8 A9 Y10	D6-D8 VanDerWaalsContact C-N 3.31Å; D6-D8 PolarHBondContact O-N 3.42Å; D6-D8 PolarHBondContact OD1-N 2.84Å; D6-A9 HydrophobicContact CB-CB 3.96Å; D6-A9 PolarHBondContact O-N 3.34Å; D6-A9 PolarHBondContact OD1-N 3.34Å; D6-A9 WeakPolarHBondContact OD2-CB 3.33Å; D6-Y10 PolarHBondContact O-N 3.18Å
7	K	87.4	Confident	83.3	Confident	93 Å²	93	69.2 Å²	69.2	40%	0.404	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-38.8	-175.6	-56.2	-173.9	-170.7	-162.4	0	112.1	L5 Y10 Y11 Q87 I88	L5-K7 PolarHBondContact O-N 3.13Å; K7-Y10 PolarHBondContact O-N 2.83Å; K7-Y11 HydrophobicContact CB-CE2 4.37Å; K7-Y11 WeakPolarHBondContact O-CD2 3.5Å; K7-Y11 PolarHBondContact O-N 3.15Å; K7-Q87 WeakPolarHBondContact CD-O 3.37Å; K7-Q87 WeakPolarHBondContact CE-O 3.28Å; K7-Q87 PolarHBondContact NZ-O 2.98Å; K7-I88 HydrophobicContact CG-CG2 4.24Å
8	D	87.8	Confident	83.8	Confident	117 Å²	117	65.6 Å²	65.6	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-70.9	-41.3	-176.2	-66.6	-25.9	0	0	0	110.5	D6 R12	D6-D8 VanDerWaalsContact C-N 3.31Å; D6-D8 PolarHBondContact O-N 3.42Å; D6-D8 PolarHBondContact OD1-N 2.84Å; D8-R12 WeakPolarHBondContact O-CG 3.09Å; D8-R12 PolarHBondContact O-N 3.5Å; D8-R12 VanDerWaalsContact O-N 3.12Å; D8-R12 PolarHBondContact O-NE 2.7Å
9	A	89.4	Confident	84.2	Confident	3 Å²	3	66.1 Å²	66.1	3%	0.025	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-47.4	170.4	0	0	0	0	0	111.4	D6 Y11 R12 R13	D6-A9 HydrophobicContact CB-CB 3.96Å; D6-A9 PolarHBondContact O-N 3.34Å; D6-A9 PolarHBondContact OD1-N 3.34Å; D6-A9 WeakPolarHBondContact OD2-CB 3.33Å; A9-Y11 PolarHBondContact O-N 3.03Å; A9-R12 PolarHBondContact O-N 3.47Å; A9-R13 VanDerWaalsContact O-CB 3.25Å; A9-R13 WeakPolarHBondContact O-CB 3.42Å; A9-R13 WeakPolarHBondContact O-CG 3.3Å; A9-R13 PolarHBondContact O-N 2.8Å
10	Y	91.9	Very high	84.6	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-55	-51.8	178.1	171.5	-95	0	0	0	112	D6 K7 R12 R13 V14 L56 F57 I88 I103	D6-Y10 PolarHBondContact O-N 3.18Å; K7-Y10 PolarHBondContact O-N 2.83Å; Y10-R12 PolarHBondContact O-N 3.09Å; Y10-R13 PolarHBondContact O-N 3.18Å; Y10-V14 HydrophobicContact CD1-CG1 4.48Å; Y10-V14 HydrophobicContact CE1-CB 4.47Å; Y10-V14 HydrophobicContact CE1-CG1 4.05Å; Y10-V14 HydrophobicContact CE2-CB 4.44Å; Y10-V14 WeakPolarHBondContact O-CB 3.45Å; Y10-V14 WeakPolarHBondContact O-CG1 3.37Å; Y10-V14 PolarHBondContact O-N 3.27Å; Y10-L56 HydrophobicContact CD2-CB 4.22Å; Y10-L56 HydrophobicContact CD2-CD2 4.46Å; Y10-L56 HydrophobicContact CE2-CB 4.43Å; Y10-L56 HydrophobicContact CE2-CD2 4.46Å; Y10-F57 AromaticContact CD2-CD1 3.97Å; Y10-F57 HydrophobicContact CD2-CD1 3.97Å; Y10-F57 AromaticContact CD2-CE1 3.81Å; Y10-F57 HydrophobicContact CD2-CE1 3.81Å; Y10-F57 HydrophobicContact CE2-CD1 4.23Å; Y10-F57 AromaticContact CE2-CE1 3.59Å; Y10-F57 HydrophobicContact CE2-CE1 3.59Å; Y10-F57 HydrophobicContact CE2-CZ 4.48Å; Y10-I88 HydrophobicContact CD1-CB 4.06Å; Y10-I88 HydrophobicContact CD1-CD1 4.03Å; Y10-I88 HydrophobicContact CD1-CG2 3.79Å; Y10-I88 HydrophobicContact CD2-CD1 3.94Å; Y10-I88 HydrophobicContact CE1-CB 4.15Å; Y10-I88 HydrophobicContact CE1-CD1 3.75Å; Y10-I88 HydrophobicContact CE1-CG1 4.5Å; Y10-I88 HydrophobicContact CE1-CG2 4.38Å; Y10-I88 HydrophobicContact CE2-CD1 3.65Å; Y10-I88 HydrophobicContact CG-CD1 4.13Å; Y10-I88 HydrophobicContact CG-CG2 4.05Å; Y10-I103 HydrophobicContact CE1-CD1 3.72Å; Y10-I103 VanDerWaalsContact OH-CD1 3.22Å; Y10-I103 WeakPolarHBondContact OH-CD1 3.46Å
11	Y	91	Very high	85	Confident	20 Å²	20	62.4 Å²	62.4	8%	0.078	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-36.7	-177.1	-72.8	-61.2	0	0	0	112.9	K7 A9 K15 I88 T91 N98 A100	K7-Y11 HydrophobicContact CB-CE2 4.37Å; K7-Y11 WeakPolarHBondContact O-CD2 3.5Å; K7-Y11 PolarHBondContact O-N 3.15Å; A9-Y11 PolarHBondContact O-N 3.03Å; Y11-K15 WeakPolarHBondContact O-CB 3.44Å; Y11-K15 PolarHBondContact O-N 2.92Å; Y11-K15 VanDerWaalsContact O-N 3.09Å; Y11-I88 PolarHBondContact OH-O 2.98Å; Y11-T91 PolarHBondContact OH-OG1 2.81Å; Y11-N98 HydrophobicContact CD1-CB 4.45Å; Y11-N98 WeakPolarHBondContact CD2-ND2 3.42Å; Y11-N98 HydrophobicContact CG-CB 4.31Å; Y11-A100 HydrophobicContact CD1-CB 4.34Å
12	R	90.5	Very high	87.4	Confident	129 Å²	129	56.9 Å²	56.9	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-44.5	173.9	-73.2	-174.9	-59.6	118	5.3	111.6	D8 A9 Y10 R16 E176	D8-R12 WeakPolarHBondContact O-CG 3.09Å; D8-R12 PolarHBondContact O-N 3.5Å; D8-R12 VanDerWaalsContact O-N 3.12Å; D8-R12 PolarHBondContact O-NE 2.7Å; A9-R12 PolarHBondContact O-N 3.47Å; Y10-R12 PolarHBondContact O-N 3.09Å; R12-R16 WeakPolarHBondContact O-CB 3.43Å; R12-R16 PolarHBondContact O-N 2.87Å; R12-E176 IonicContact CZ-OE1 3.61Å; R12-E176 IonicContact CZ-OE2 3.53Å; R12-E176 IonicContact NH1-OE1 3.71Å; R12-E176 PolarHBondContact NH1-OE1 2.8Å; R12-E176 IonicContact NH1-OE2 2.75Å; R12-E176 PolarHBondContact NH1-OE2 3.17Å; R12-E176 IonicContact NH2-OE1 3.95Å; R12-E176 IonicContact NH2-OE2 2.93Å; R12-E176 PolarHBondContact NH2-OE2 3.03Å
13	R	93.4	Very high	88.9	Confident	25 Å²	25	58.9 Å²	58.9	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-45.4	-177.5	-70.8	177.5	179.1	168.2	-3.5	112.5	A9 Y10 K15 R16 L17 W55 L56 E176 E179	A9-R13 VanDerWaalsContact O-CB 3.25Å; A9-R13 WeakPolarHBondContact O-CB 3.42Å; A9-R13 WeakPolarHBondContact O-CG 3.3Å; A9-R13 PolarHBondContact O-N 2.8Å; Y10-R13 PolarHBondContact O-N 3.18Å; R13-K15 VanDerWaalsContact C-N 3.34Å; R13-K15 PolarHBondContact O-N 2.62Å; R13-R16 WeakPolarHBondContact O-CB 3.38Å; R13-R16 PolarHBondContact O-N 3.34Å; R13-L17 PolarHBondContact O-N 3.32Å; R13-W55 HydrophobicContact CB-CD2 4.2Å; R13-W55 HydrophobicContact CB-CE3 3.97Å; R13-W55 HydrophobicContact CB-CH2 3.48Å; R13-W55 VanDerWaalsContact CB-CH2 3.48Å; R13-W55 HydrophobicContact CB-CZ2 3.69Å; R13-W55 HydrophobicContact CB-CZ3 3.62Å; R13-W55 WeakPolarHBondContact CD-O 3.33Å; R13-W55 HydrophobicContact CG-CD2 4.14Å; R13-W55 HydrophobicContact CG-CE3 4.42Å; R13-W55 HydrophobicContact CG-CH2 3.89Å; R13-W55 HydrophobicContact CG-CZ2 3.51Å; R13-W55 HydrophobicContact CG-CZ3 4.32Å; R13-W55 PolarHBondContact NE-O 2.85Å; R13-W55 PolarHBondContact NH1-O 3.46Å; R13-W55 VanDerWaalsContact O-CH2 3.23Å; R13-W55 WeakPolarHBondContact O-CH2 3.48Å; R13-W55 WeakPolarHBondContact O-CZ3 3.3Å; R13-L56 HydrophobicContact CB-CD2 4.05Å; R13-E176 IonicContact NE-OE2 3.65Å; R13-E176 IonicContact NH2-OE2 2.93Å; R13-E179 VanDerWaalsContact NH2-CD 3.34Å; R13-E179 VanDerWaalsContact NH2-CG 3.29Å; R13-E179 IonicContact NH2-OE1 3.28Å; R13-E179 IonicContact NH2-OE2 3.96Å; R13-E179 PolarHBondContact NH2-OE2 2.85Å
14	V	92.8	Very high	89.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-39.4	176	78.4	0	0	0	0	111	Y10 R16 L17 Y18 L56 F68 I73 A100	Y10-V14 HydrophobicContact CD1-CG1 4.48Å; Y10-V14 HydrophobicContact CE1-CB 4.47Å; Y10-V14 HydrophobicContact CE1-CG1 4.05Å; Y10-V14 HydrophobicContact CE2-CB 4.44Å; Y10-V14 WeakPolarHBondContact O-CB 3.45Å; Y10-V14 WeakPolarHBondContact O-CG1 3.37Å; Y10-V14 PolarHBondContact O-N 3.27Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.42Å; V14-L17 WeakPolarHBondContact O-CB 3.35Å; V14-L17 PolarHBondContact O-N 2.89Å; V14-Y18 HydrophobicContact CG2-CD2 3.92Å; V14-Y18 HydrophobicContact CG2-CE2 3.92Å; V14-Y18 WeakPolarHBondContact O-CD2 3.48Å; V14-Y18 PolarHBondContact O-N 3.02Å; V14-L56 HydrophobicContact CB-CD2 4.27Å; V14-F68 HydrophobicContact CG2-CE1 4.39Å; V14-I73 HydrophobicContact CG2-CD1 3.97Å; V14-A100 HydrophobicContact CG1-CB 3.8Å
15	K	90.9	Very high	89.7	Confident	117 Å²	117	56.5 Å²	56.5	51%	0.509	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-41.3	174.2	-177.3	179.2	-174.4	170.3	0	111.5	Y11 R13 Y18 S19	Y11-K15 WeakPolarHBondContact O-CB 3.44Å; Y11-K15 PolarHBondContact O-N 2.92Å; Y11-K15 VanDerWaalsContact O-N 3.09Å; R13-K15 VanDerWaalsContact C-N 3.34Å; R13-K15 PolarHBondContact O-N 2.62Å; K15-Y18 PolarHBondContact O-N 2.71Å; K15-S19 VanDerWaalsContact O-CB 3.25Å; K15-S19 WeakPolarHBondContact O-CB 3.37Å; K15-S19 PolarHBondContact O-N 3.33Å
16	R	92.2	Very high	89.9	Confident	60 Å²	60	61.7 Å²	61.7	23%	0.226	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-43.4	175.6	-177.6	177.7	175.8	-177.8	-6	112	R12 R13 V14 S19 N20 W55 T171 V174	R12-R16 WeakPolarHBondContact O-CB 3.43Å; R12-R16 PolarHBondContact O-N 2.87Å; R13-R16 WeakPolarHBondContact O-CB 3.38Å; R13-R16 PolarHBondContact O-N 3.34Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.42Å; R16-S19 PolarHBondContact O-N 2.87Å; R16-N20 PolarHBondContact O-N 2.98Å; R16-N20 VanDerWaalsContact O-N 3.08Å; R16-W55 HydrophobicContact CB-CH2 4.44Å; R16-T171 HydrophobicContact CG-CG2 4.31Å; R16-T171 PolarHBondContact NE-O 3.34Å; R16-T171 VanDerWaalsContact NE-O 3.11Å; R16-T171 PolarHBondContact NH2-O 3.21Å; R16-V174 PolarHBondContact NH1-O 3.33Å
17	L	93.1	Very high	89.8	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-51.2	174.9	-178.3	65.7	0	0	0	111.3	R13 V14 S19 N20 W21 Y28 L52 F68 V168 T171	R13-L17 PolarHBondContact O-N 3.32Å; V14-L17 WeakPolarHBondContact O-CB 3.35Å; V14-L17 PolarHBondContact O-N 2.89Å; L17-S19 PolarHBondContact O-N 3.42Å; L17-N20 PolarHBondContact O-N 3.11Å; L17-W21 WeakPolarHBondContact O-CB 3.49Å; L17-W21 PolarHBondContact O-N 3.15Å; L17-Y28 WeakPolarHBondContact CD1-OH 3.31Å; L17-L52 HydrophobicContact CD2-CD1 4.47Å; L17-F68 HydrophobicContact CD2-CE1 4.42Å; L17-V168 HydrophobicContact CD1-CG2 4.47Å; L17-T171 HydrophobicContact CD1-CG2 4.32Å
18	Y	92.8	Very high	90	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-39.3	177.8	-90	-87.8	0	0	0	113	V14 K15 N20 W21 R22 F68 C69 I73 P101	V14-Y18 HydrophobicContact CG2-CD2 3.92Å; V14-Y18 HydrophobicContact CG2-CE2 3.92Å; V14-Y18 WeakPolarHBondContact O-CD2 3.48Å; V14-Y18 PolarHBondContact O-N 3.02Å; K15-Y18 PolarHBondContact O-N 2.71Å; Y18-N20 VanDerWaalsContact C-N 3.33Å; Y18-N20 PolarHBondContact O-N 3.39Å; Y18-W21 AromaticContact CD1-CE3 3.95Å; Y18-W21 HydrophobicContact CD1-CE3 3.95Å; Y18-W21 HydrophobicContact CD1-CZ3 4.18Å; Y18-W21 AromaticContact CE1-CE3 3.83Å; Y18-W21 HydrophobicContact CE1-CE3 3.83Å; Y18-W21 AromaticContact CE1-CZ3 3.59Å; Y18-W21 HydrophobicContact CE1-CZ3 3.59Å; Y18-W21 PolarHBondContact O-N 2.84Å; Y18-R22 VanDerWaalsContact O-CB 3.26Å; Y18-R22 WeakPolarHBondContact O-CB 3.45Å; Y18-R22 WeakPolarHBondContact O-CG 3.37Å; Y18-R22 PolarHBondContact O-N 3.27Å; Y18-F68 HydrophobicContact CE2-CD1 4.04Å; Y18-C69 VanDerWaalsContact CE1-O 3.26Å; Y18-C69 WeakPolarHBondContact CE1-O 3.42Å; Y18-C69 PolarHBondContact OH-O 3.49Å; Y18-I73 HydrophobicContact CE2-CD1 3.83Å; Y18-I73 HydrophobicContact CE2-CG1 4.13Å; Y18-I73 WeakPolarHBondContact OH-CG1 3.39Å; Y18-P101 HydrophobicContact CD1-CG 4.18Å; Y18-P101 HydrophobicContact CE1-CG 3.59Å; Y18-P101 HydrophobicContact CE2-CG 4.09Å
19	S	91.3	Very high	89.9	Confident	75 Å²	75	53.7 Å²	53.7	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-43.5	177.9	-173.2	0	0	0	0	111.2	K15 R16 L17 K23	K15-S19 VanDerWaalsContact O-CB 3.25Å; K15-S19 WeakPolarHBondContact O-CB 3.37Å; K15-S19 PolarHBondContact O-N 3.33Å; R16-S19 PolarHBondContact O-N 2.87Å; L17-S19 PolarHBondContact O-N 3.42Å; S19-K23 WeakPolarHBondContact O-CB 3.42Å; S19-K23 PolarHBondContact O-N 2.85Å; S19-K23 VanDerWaalsContact O-N 3.09Å
20	N	91.2	Very high	89.8	Confident	52 Å²	52	57.4 Å²	57.4	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-69.8	-42.4	177.1	-73.1	-7.5	0	0	0	111.6	R16 L17 Y18 K23 Y28 T171	R16-N20 PolarHBondContact O-N 2.98Å; R16-N20 VanDerWaalsContact O-N 3.08Å; L17-N20 PolarHBondContact O-N 3.11Å; Y18-N20 VanDerWaalsContact C-N 3.33Å; Y18-N20 PolarHBondContact O-N 3.39Å; N20-K23 PolarHBondContact O-N 3.39Å; N20-Y28 HydrophobicContact CB-CE2 4.02Å; N20-T171 WeakPolarHBondContact ND2-CG2 3.24Å; N20-T171 PolarHBondContact ND2-OG1 2.99Å
21	W	93	Very high	90	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-45.1	177.9	178.8	25.2	0	0	0	112.3	L17 Y18 K23 G24 Y28 V31 D32 I34 F68	L17-W21 WeakPolarHBondContact O-CB 3.49Å; L17-W21 PolarHBondContact O-N 3.15Å; Y18-W21 AromaticContact CD1-CE3 3.95Å; Y18-W21 HydrophobicContact CD1-CE3 3.95Å; Y18-W21 HydrophobicContact CD1-CZ3 4.18Å; Y18-W21 AromaticContact CE1-CE3 3.83Å; Y18-W21 HydrophobicContact CE1-CE3 3.83Å; Y18-W21 AromaticContact CE1-CZ3 3.59Å; Y18-W21 HydrophobicContact CE1-CZ3 3.59Å; Y18-W21 PolarHBondContact O-N 2.84Å; W21-K23 PolarHBondContact O-N 3.34Å; W21-G24 PolarHBondContact O-N 2.84Å; W21-G24 VanDerWaalsContact O-N 3.15Å; W21-Y28 HydrophobicContact CB-CD1 3.91Å; W21-Y28 HydrophobicContact CB-CE1 4.01Å; W21-Y28 HydrophobicContact CB-CG 4.22Å; W21-Y28 AromaticContact CD1-CD1 3.44Å; W21-Y28 VanDerWaalsContact CD1-CD1 3.44Å; W21-Y28 AromaticContact CD1-CG 3.93Å; W21-Y28 AromaticContact CG-CD1 3.87Å; W21-Y28 HydrophobicContact CG-CD1 3.87Å; W21-Y28 HydrophobicContact CG-CE1 4.22Å; W21-Y28 HydrophobicContact CG-CG 4.43Å; W21-V31 HydrophobicContact CZ2-CG1 4.05Å; W21-V31 WeakPolarHBondContact CZ2-O 3.11Å; W21-V31 PolarHBondContact NE1-O 3.37Å; W21-D32 WeakPolarHBondContact CZ2-O 3.48Å; W21-I34 HydrophobicContact CD2-CD1 3.7Å; W21-I34 HydrophobicContact CD2-CG1 4.22Å; W21-I34 HydrophobicContact CE3-CD1 3.8Å; W21-I34 HydrophobicContact CE3-CG1 4.37Å; W21-I34 HydrophobicContact CG-CD1 4.03Å; W21-I34 HydrophobicContact CH2-CG1 4.42Å; W21-I34 HydrophobicContact CZ2-CG1 4.25Å; W21-I34 HydrophobicContact CZ3-CD1 4.31Å; W21-I34 HydrophobicContact CZ3-CG1 4.47Å; W21-F68 VanDerWaalsContact CH2-O 3.28Å; W21-F68 WeakPolarHBondContact CH2-O 3.42Å; W21-F68 HydrophobicContact CZ3-CB 4.22Å
22	R	90.5	Very high	90.2	Very high	124 Å²	124	56.7 Å²	56.7	47%	0.468	28%	0.28	S	S	.	.	H	α-helix	trans	-72.5	-24.7	179.5	-71.3	179.2	175.5	161.9	1.8	113.6	Y18 G24 D70	Y18-R22 VanDerWaalsContact O-CB 3.26Å; Y18-R22 WeakPolarHBondContact O-CB 3.45Å; Y18-R22 WeakPolarHBondContact O-CG 3.37Å; Y18-R22 PolarHBondContact O-N 3.27Å; R22-G24 PolarHBondContact O-N 3Å; R22-D70 IonicContact CZ-OD1 3.33Å; R22-D70 IonicContact NE-OD1 3.82Å; R22-D70 PolarHBondContact NE-OD1 2.87Å; R22-D70 PolarHBondContact NH2-O 2.82Å; R22-D70 IonicContact NH2-OD1 2.7Å; R22-D70 PolarHBondContact NH2-OD1 3.43Å
23	K	88.4	Confident	90.5	Very high	132 Å²	132	50.6 Å²	50.6	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-61.7	-27.1	170.3	-164.1	-177.2	178.9	-150.7	0	111.5	S19 N20 W21 E25	S19-K23 WeakPolarHBondContact O-CB 3.42Å; S19-K23 PolarHBondContact O-N 2.85Å; S19-K23 VanDerWaalsContact O-N 3.09Å; N20-K23 PolarHBondContact O-N 3.39Å; W21-K23 PolarHBondContact O-N 3.34Å; K23-E25 HydrophobicContact CD-CG 4.35Å; K23-E25 VanDerWaalsContact CE-CD 3.41Å; K23-E25 WeakPolarHBondContact CE-OE1 3.46Å; K23-E25 WeakPolarHBondContact CE-OE2 3.43Å; K23-E25 HydrophobicContact CG-CG 4.28Å; K23-E25 IonicContact NZ-OE1 2.64Å; K23-E25 PolarHBondContact NZ-OE1 3.34Å; K23-E25 IonicContact NZ-OE2 3.72Å; K23-E25 PolarHBondContact NZ-OE2 2.93Å; K23-E25 PolarHBondContact O-N 3.47Å
24	G	81.2	Confident	90.7	Very high	29 Å²	29	49.4 Å²	49.4	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	34.4	168.3	0	0	0	0	0	114.2	W21 R22 A29	W21-G24 PolarHBondContact O-N 2.84Å; W21-G24 VanDerWaalsContact O-N 3.15Å; R22-G24 PolarHBondContact O-N 3Å; G24-A29 WeakPolarHBondContact O-CA 3.38Å; G24-A29 WeakPolarHBondContact O-CB 3.39Å
25	E	83.8	Confident	90.9	Very high	101 Å²	101	49.7 Å²	49.7	47%	0.472	25%	0.254	S	S	.	.			trans	-88.3	152.3	173.2	-67.6	176.4	163.1	0	0	110.7	K23 E27 Y28	K23-E25 HydrophobicContact CD-CG 4.35Å; K23-E25 VanDerWaalsContact CE-CD 3.41Å; K23-E25 WeakPolarHBondContact CE-OE1 3.46Å; K23-E25 WeakPolarHBondContact CE-OE2 3.43Å; K23-E25 HydrophobicContact CG-CG 4.28Å; K23-E25 IonicContact NZ-OE1 2.64Å; K23-E25 PolarHBondContact NZ-OE1 3.34Å; K23-E25 IonicContact NZ-OE2 3.72Å; K23-E25 PolarHBondContact NZ-OE2 2.93Å; K23-E25 PolarHBondContact O-N 3.47Å; E25-E27 PolarHBondContact O-N 3.43Å; E25-Y28 WeakPolarHBondContact O-CB 3.24Å; E25-Y28 PolarHBondContact O-N 3.45Å; E25-Y28 VanDerWaalsContact O-N 3.16Å
26	D	86.8	Confident	91.2	Very high	113 Å²	113	44.1 Å²	44.1	60%	0.604	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	51.2	-131	177.2	-52.2	-48.5	0	0	0	113.1	Y28 A29 V167	D26-Y28 PolarHBondContact O-N 2.89Å; D26-A29 WeakPolarHBondContact O-CB 3.3Å; D26-A29 PolarHBondContact O-N 2.93Å; D26-V167 HydrophobicContact CB-CG1 4.07Å
27	E	87.2	Confident	91.3	Very high	72 Å²	72	42.3 Å²	42.3	34%	0.336	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-65	-25.1	-177.9	-63.8	87.2	166	0	0	113	E25 A29 V31 I162 V167	E25-E27 PolarHBondContact O-N 3.43Å; E27-A29 VanDerWaalsContact C-N 3.25Å; E27-A29 PolarHBondContact O-N 3.42Å; E27-V31 WeakPolarHBondContact O-CG2 3.5Å; E27-I162 HydrophobicContact CB-CG2 4.12Å; E27-V167 HydrophobicContact CB-CG1 4.35Å; E27-V167 HydrophobicContact CB-CG2 4.38Å; E27-V167 WeakPolarHBondContact OE2-CG1 3.35Å
28	Y	90.2	Very high	91.3	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.031	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.7	-24.9	179.3	-80	-46	0	0	0	113.5	L17 N20 W21 E25 D26 N30 V31 I34 V167 V168	L17-Y28 WeakPolarHBondContact CD1-OH 3.31Å; N20-Y28 HydrophobicContact CB-CE2 4.02Å; W21-Y28 HydrophobicContact CB-CD1 3.91Å; W21-Y28 HydrophobicContact CB-CE1 4.01Å; W21-Y28 HydrophobicContact CB-CG 4.22Å; W21-Y28 AromaticContact CD1-CD1 3.44Å; W21-Y28 VanDerWaalsContact CD1-CD1 3.44Å; W21-Y28 AromaticContact CD1-CG 3.93Å; W21-Y28 AromaticContact CG-CD1 3.87Å; W21-Y28 HydrophobicContact CG-CD1 3.87Å; W21-Y28 HydrophobicContact CG-CE1 4.22Å; W21-Y28 HydrophobicContact CG-CG 4.43Å; E25-Y28 WeakPolarHBondContact O-CB 3.24Å; E25-Y28 PolarHBondContact O-N 3.45Å; E25-Y28 VanDerWaalsContact O-N 3.16Å; D26-Y28 PolarHBondContact O-N 2.89Å; Y28-N30 PolarHBondContact O-N 3.47Å; Y28-N30 VanDerWaalsContact O-N 3.07Å; Y28-V31 PolarHBondContact O-N 3.15Å; Y28-I34 HydrophobicContact CE1-CD1 3.98Å; Y28-V167 HydrophobicContact CD1-CG2 4.01Å; Y28-V167 HydrophobicContact CD2-CB 3.81Å; Y28-V167 HydrophobicContact CD2-CG1 4.3Å; Y28-V167 HydrophobicContact CD2-CG2 3.89Å; Y28-V167 HydrophobicContact CE1-CG2 3.76Å; Y28-V167 HydrophobicContact CE2-CB 3.54Å; Y28-V167 HydrophobicContact CE2-CG1 4.47Å; Y28-V167 HydrophobicContact CE2-CG2 3.66Å; Y28-V167 HydrophobicContact CG-CB 4.43Å; Y28-V167 HydrophobicContact CG-CG2 4.06Å; Y28-V168 WeakPolarHBondContact OH-CG2 3.38Å
29	A	86.8	Confident	91.2	Very high	57 Å²	57	42 Å²	42	47%	0.471	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-53.9	-32.1	-176.6	0	0	0	0	0	113.4	G24 D26 E27	G24-A29 WeakPolarHBondContact O-CA 3.38Å; G24-A29 WeakPolarHBondContact O-CB 3.39Å; D26-A29 WeakPolarHBondContact O-CB 3.3Å; D26-A29 PolarHBondContact O-N 2.93Å; E27-A29 VanDerWaalsContact C-N 3.25Å; E27-A29 PolarHBondContact O-N 3.42Å
30	N	87.2	Confident	90.8	Very high	82 Å²	82	41.6 Å²	41.6	44%	0.439	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-109.1	8.6	-171.9	-71.3	-65.7	0	0	0	113.4	Y28 K133 I162	Y28-N30 PolarHBondContact O-N 3.47Å; Y28-N30 VanDerWaalsContact O-N 3.07Å; N30-K133 HydrophobicContact CB-CD 4.04Å; N30-K133 WeakPolarHBondContact O-CB 3.25Å; N30-K133 WeakPolarHBondContact O-CD 3.45Å; N30-K133 PolarHBondContact OD1-NZ 3.21Å; N30-I162 HydrophobicContact CB-CD1 3.59Å; N30-I162 WeakPolarHBondContact O-CD1 3.39Å
31	V	95.5	Very high	90.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.218	C	C	.	.			trans	-97.1	118	-174.3	174.9	0	0	0	0	110.7	W21 E27 Y28 A33 I34 K129 I162 I164	W21-V31 HydrophobicContact CZ2-CG1 4.05Å; W21-V31 WeakPolarHBondContact CZ2-O 3.11Å; W21-V31 PolarHBondContact NE1-O 3.37Å; E27-V31 WeakPolarHBondContact O-CG2 3.5Å; Y28-V31 PolarHBondContact O-N 3.15Å; V31-A33 VanDerWaalsContact CG1-O 3.23Å; V31-A33 WeakPolarHBondContact CG1-O 3.35Å; V31-I34 HydrophobicContact CG1-CG1 3.82Å; V31-K129 PolarHBondContact O-NZ 3.2Å; V31-I162 HydrophobicContact CG2-CB 4.14Å; V31-I162 HydrophobicContact CG2-CD1 3.93Å; V31-I162 HydrophobicContact CG2-CG2 4.16Å; V31-I164 HydrophobicContact CG2-CG2 3.81Å
32	D	95.8	Very high	89.6	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.027	26%	0.26	C	S	.	.	S	Bend	trans	-84.6	-36.7	178.6	-63.6	-46	0	0	0	112.2	W21 S128 K129 N130 G131 K132 K133	W21-D32 WeakPolarHBondContact CZ2-O 3.48Å; D32-S128 WeakPolarHBondContact CB-O 3.36Å; D32-S128 WeakPolarHBondContact O-CB 3.47Å; D32-S128 PolarHBondContact O-OG 3.31Å; D32-K129 HydrophobicContact CB-CB 4.11Å; D32-K129 WeakPolarHBondContact OD1-CB 3.41Å; D32-N130 WeakPolarHBondContact OD1-CB 3.4Å; D32-N130 PolarHBondContact OD1-N 3.31Å; D32-N130 VanDerWaalsContact OD1-N 3.14Å; D32-N130 PolarHBondContact OD1-ND2 3.2Å; D32-G131 PolarHBondContact OD2-N 3.1Å; D32-K132 PolarHBondContact OD2-N 3.26Å; D32-K133 WeakPolarHBondContact CA-O 3.35Å; D32-K133 VanDerWaalsContact CB-O 3.26Å; D32-K133 WeakPolarHBondContact CB-O 3.32Å; D32-K133 PolarHBondContact N-O 2.75Å; D32-K133 PolarHBondContact OD2-N 3.37Å
33	A	97	Very high	89	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.9	173	0	0	0	0	0	111	V31 F68 I125 K133 I134 G135	V31-A33 VanDerWaalsContact CG1-O 3.23Å; V31-A33 WeakPolarHBondContact CG1-O 3.35Å; A33-F68 CarbonylContact C-O 3.57Å; A33-F68 WeakPolarHBondContact CA-O 3.33Å; A33-I125 HydrophobicContact CB-CB 4.47Å; A33-I125 HydrophobicContact CB-CG1 4.22Å; A33-I125 HydrophobicContact CB-CG2 4.14Å; A33-K133 PolarHBondContact N-O 3.46Å; A33-I134 HydrophobicContact CB-CG2 4.47Å; A33-I134 CarbonylContact O-C 3.56Å; A33-I134 VanDerWaalsContact O-CA 3.27Å; A33-I134 WeakPolarHBondContact O-CA 3.42Å; A33-G135 PolarHBondContact O-N 2.97Å
34	I	97.2	Very high	88.6	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.3	175.1	-60.5	169.9	0	0	0	109.2	W21 Y28 V31 V36 V67 F68 I164	W21-I34 HydrophobicContact CD2-CD1 3.7Å; W21-I34 HydrophobicContact CD2-CG1 4.22Å; W21-I34 HydrophobicContact CE3-CD1 3.8Å; W21-I34 HydrophobicContact CE3-CG1 4.37Å; W21-I34 HydrophobicContact CG-CD1 4.03Å; W21-I34 HydrophobicContact CH2-CG1 4.42Å; W21-I34 HydrophobicContact CZ2-CG1 4.25Å; W21-I34 HydrophobicContact CZ3-CD1 4.31Å; W21-I34 HydrophobicContact CZ3-CG1 4.47Å; Y28-I34 HydrophobicContact CE1-CD1 3.98Å; V31-I34 HydrophobicContact CG1-CG1 3.82Å; I34-V36 HydrophobicContact CG2-CG2 3.88Å; I34-V67 CarbonylContact O-C 3.59Å; I34-V67 WeakPolarHBondContact O-CA 3.47Å; I34-F68 HydrophobicContact CB-CB 4.14Å; I34-F68 HydrophobicContact CB-CD2 4.24Å; I34-F68 HydrophobicContact CG2-CD2 4.16Å; I34-F68 PolarHBondContact N-O 3.2Å; I34-F68 PolarHBondContact O-N 3.37Å; I34-I164 HydrophobicContact CB-CD1 4.22Å; I34-I164 HydrophobicContact CD1-CD1 4.09Å; I34-I164 HydrophobicContact CG1-CD1 3.92Å; I34-I164 HydrophobicContact CG2-CD1 3.39Å
35	V	97.1	Very high	88.6	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.3	178.8	-179.1	0	0	0	0	109.2	I125 I134 G135 V136 W150 L154	V35-I125 HydrophobicContact CG2-CD1 3.68Å; V35-I125 HydrophobicContact CG2-CG1 4.4Å; V35-I134 HydrophobicContact CG2-CB 4.33Å; V35-I134 HydrophobicContact CG2-CD1 4.35Å; V35-I134 HydrophobicContact CG2-CG2 4.42Å; V35-G135 PolarHBondContact N-O 3.43Å; V35-V136 HydrophobicContact CB-CG1 4.38Å; V35-W150 HydrophobicContact CG1-CZ2 3.87Å; V35-L154 HydrophobicContact CG1-CD2 4.35Å
36	V	96.7	Very high	88.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.6	179.3	-174.8	0	0	0	0	108.4	I34 L52 M66 F68 F137	I34-V36 HydrophobicContact CG2-CG2 3.88Å; V36-L52 HydrophobicContact CG1-CD2 4.47Å; V36-L52 HydrophobicContact CG2-CD2 3.84Å; V36-M66 HydrophobicContact CB-CB 4.27Å; V36-M66 HydrophobicContact CB-CE 3.71Å; V36-M66 HydrophobicContact CG1-CE 3.5Å; V36-M66 VanDerWaalsContact CG1-CE 3.5Å; V36-M66 HydrophobicContact CG2-CE 4.36Å; V36-M66 PolarHBondContact N-O 2.79Å; V36-M66 PolarHBondContact O-N 2.82Å; V36-F68 HydrophobicContact CG2-CD2 4.47Å; V36-F68 HydrophobicContact CG2-CE2 4.05Å; V36-F137 HydrophobicContact CB-CE2 4.25Å; V36-F137 HydrophobicContact CG1-CD2 4.13Å; V36-F137 HydrophobicContact CG1-CE2 3.75Å; V36-F137 HydrophobicContact CG2-CD2 4.39Å; V36-F137 HydrophobicContact CG2-CE2 3.66Å; V36-F137 HydrophobicContact CG2-CZ 4.37Å
37	S	93.7	Very high	89.2	Confident	22 Å²	22	44.5 Å²	44.5	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122	-179.3	59.4	0	0	0	0	109.1	F142 M147	S37-F142 WeakPolarHBondContact O-CE2 3.42Å; S37-M147 VanDerWaalsContact C-CE 3.45Å; S37-M147 WeakPolarHBondContact O-CE 3.36Å
38	V	93.5	Very high	89.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.7	176	-178.4	0	0	0	0	108.8	Q53 D63 T64 F142 M147	V38-Q53 HydrophobicContact CG2-CG 4.15Å; V38-D63 CarbonylContact O-C 3.57Å; V38-D63 WeakPolarHBondContact O-CA 3.42Å; V38-D63 PolarHBondContact O-N 3.03Å; V38-T64 PolarHBondContact N-O 3.37Å; V38-T64 PolarHBondContact O-N 3.48Å; V38-F142 HydrophobicContact CB-CE2 4.5Å; V38-F142 HydrophobicContact CG1-CE1 4.33Å; V38-F142 HydrophobicContact CG1-CE2 4.44Å; V38-F142 HydrophobicContact CG1-CZ 4.05Å; V38-M147 VanDerWaalsContact C-CE 3.46Å
39	G	90.3	Very high	89.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.			trans	-99.5	-155.6	177.4	0	0	0	0	0	112.1	T62 D63 F142	G39-T62 WeakPolarHBondContact O-CA 3.22Å; G39-T62 VanDerWaalsContact O-CB 3.31Å; G39-T62 WeakPolarHBondContact O-CB 3.39Å; G39-D63 PolarHBondContact O-N 2.86Å; G39-F142 VanDerWaalsContact N-CG 3.25Å
40	V	84.6	Confident	90.1	Very high	67 Å²	67	38.9 Å²	38.9	41%	0.406	20%	0.199	S	C	.	.			trans	-114.6	121.9	168.2	176.3	0	0	0	0	107	T62 D63	V40-T62 HydrophobicContact CG2-CG2 4.33Å; V40-D63 HydrophobicContact CG2-CB 4.22Å
41	D	82.1	Confident	90.5	Very high	46 Å²	46	35.1 Å²	35.1	25%	0.246	18%	0.179	C	C	.	.			trans	-150.9	120.9	171.9	-162.9	-31.5	0	0	0	108.1	E43 I44 F142 P143	D41-E43 VanDerWaalsContact C-N 3.32Å; D41-E43 WeakPolarHBondContact OD1-CB 3.31Å; D41-E43 PolarHBondContact OD1-N 2.93Å; D41-I44 HydrophobicContact CB-CB 4.15Å; D41-I44 HydrophobicContact CB-CD1 3.82Å; D41-I44 HydrophobicContact CB-CG1 3.92Å; D41-I44 WeakPolarHBondContact OD2-CD1 3.42Å; D41-F142 HydrophobicContact CB-CD1 4.12Å; D41-P143 HydrophobicContact CB-CG 4.22Å; D41-P143 WeakPolarHBondContact OD2-CD 3.44Å
42	E	76.6	Confident	90.5	Very high	192 Å²	192	35.1 Å²	35.1	90%	0.897	18%	0.179	S	C	*	.	S	Bend	trans	-80.9	-15.3	-179.9	-65.8	-177.4	177.5	0	0	112
43	E	77.6	Confident	90.4	Very high	174 Å²	174	34.9 Å²	34.9	81%	0.813	18%	0.177	S	C	*	.	S	Bend	trans	-84.9	-24.2	178	-60.3	-173.6	174.2	0	0	112.3	D41 V45	D41-E43 VanDerWaalsContact C-N 3.32Å; D41-E43 WeakPolarHBondContact OD1-CB 3.31Å; D41-E43 PolarHBondContact OD1-N 2.93Å; E43-V45 PolarHBondContact O-N 2.7Å
44	I	79.6	Confident	90.3	Very high	51 Å²	51	35 Å²	35	26%	0.262	18%	0.178	S	C	.	.			trans	-84.8	96.9	-178.9	-60.7	176.7	0	0	0	110.1	D41 A47 F142	D41-I44 HydrophobicContact CB-CB 4.15Å; D41-I44 HydrophobicContact CB-CD1 3.82Å; D41-I44 HydrophobicContact CB-CG1 3.92Å; D41-I44 WeakPolarHBondContact OD2-CD1 3.42Å; I44-A47 HydrophobicContact CG2-CB 3.84Å; I44-F142 HydrophobicContact CD1-CD1 3.9Å; I44-F142 HydrophobicContact CD1-CE1 3.99Å; I44-F142 HydrophobicContact CG2-CE1 4.28Å
45	V	81.4	Confident	90.2	Very high	80 Å²	80	35 Å²	35	49%	0.485	18%	0.178	S	C	.	.			trans	-78.3	-36	176.4	-174.2	0	0	0	0	112.5	E43	E43-V45 PolarHBondContact O-N 2.7Å
46	Y	90.7	Very high	90.1	Very high	66 Å²	66	34.9 Å²	34.9	26%	0.259	18%	0.177	S	C	.	.			trans	-131.5	123.7	-177.5	-58.5	-70.9	0	0	0	111.2	C242 E355 F356	Y46-C242 WeakPolarHBondContact CE2-O 3.35Å; Y46-C242 VanDerWaalsContact OH-CA 3.25Å; Y46-C242 WeakPolarHBondContact OH-CA 3.48Å; Y46-C242 PolarHBondContact OH-O 2.83Å; Y46-E355 HydrophobicContact CD1-CB 4.41Å; Y46-E355 HydrophobicContact CD1-CG 4.47Å; Y46-F356 HydrophobicContact CD2-CB 4.42Å; Y46-F356 HydrophobicContact CE1-CB 4Å; Y46-F356 HydrophobicContact CE2-CB 3.79Å
47	A	92.5	Very high	89.9	Confident	6 Å²	6	35.2 Å²	35.2	5%	0.05	18%	0.179	C	C	.	.			trans	-145.1	144.9	173.4	0	0	0	0	0	109.6	I44 S49 T50 A51 F142	I44-A47 HydrophobicContact CG2-CB 3.84Å; A47-S49 VanDerWaalsContact C-N 3.28Å; A47-S49 PolarHBondContact O-N 2.97Å; A47-T50 PolarHBondContact O-N 2.99Å; A47-A51 WeakPolarHBondContact O-CB 3.11Å; A47-A51 PolarHBondContact O-N 2.81Å; A47-F142 HydrophobicContact CB-CZ 3.95Å
48	K	94.5	Very high	89.8	Confident	11 Å²	11	36 Å²	36	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-35.2	-175.6	-177.7	61.6	71.9	-159.2	0	111.7	A51 L52 F137 D140 V168 E355 E358	K48-A51 PolarHBondContact O-N 2.58Å; K48-L52 WeakPolarHBondContact O-CB 3.23Å; K48-L52 PolarHBondContact O-N 2.97Å; K48-F137 HydrophobicContact CB-CB 4.47Å; K48-F137 HydrophobicContact CB-CD1 3.93Å; K48-F137 HydrophobicContact CB-CD2 4.45Å; K48-F137 HydrophobicContact CB-CE1 4.26Å; K48-F137 HydrophobicContact CB-CG 4.03Å; K48-F137 HydrophobicContact CD-CE1 4.4Å; K48-F137 HydrophobicContact CG-CD1 3.43Å; K48-F137 VanDerWaalsContact CG-CD1 3.43Å; K48-F137 HydrophobicContact CG-CD2 4.39Å; K48-F137 HydrophobicContact CG-CE1 3.31Å; K48-F137 HydrophobicContact CG-CE2 4.28Å; K48-F137 HydrophobicContact CG-CG 3.99Å; K48-F137 HydrophobicContact CG-CZ 3.77Å; K48-D140 PolarHBondContact N-OD2 3.39Å; K48-D140 VanDerWaalsContact N-OD2 3.11Å; K48-V168 HydrophobicContact CD-CG1 4.13Å; K48-E355 WeakPolarHBondContact CD-OE2 3.33Å; K48-E355 VanDerWaalsContact CE-OE2 3.24Å; K48-E355 WeakPolarHBondContact CE-OE2 3.31Å; K48-E355 IonicContact NZ-OE2 3.38Å; K48-E355 PolarHBondContact NZ-OE2 3.09Å; K48-E358 IonicContact NZ-OE1 3.46Å; K48-E358 PolarHBondContact NZ-OE1 3.5Å; K48-E358 VanDerWaalsContact NZ-OE1 3.09Å; K48-E358 IonicContact NZ-OE2 3.02Å; K48-E358 PolarHBondContact NZ-OE2 3.03Å
49	S	94.7	Very high	89.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-47	173.8	54.1	0	0	0	0	112.4	A47 L52 Q53 D140 F142	A47-S49 VanDerWaalsContact C-N 3.28Å; A47-S49 PolarHBondContact O-N 2.97Å; S49-L52 PolarHBondContact O-N 2.89Å; S49-Q53 PolarHBondContact O-N 2.91Å; S49-D140 WeakPolarHBondContact CB-OD2 3.46Å; S49-D140 PolarHBondContact N-OD2 3.11Å; S49-D140 PolarHBondContact OG-OD2 3.33Å; S49-F142 WeakPolarHBondContact OG-CE2 3.13Å
50	T	93.5	Very high	89.3	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-39.8	174.5	-62.5	0	0	0	0	111.6	A47 L52 Q53 T54 E60	A47-T50 PolarHBondContact O-N 2.99Å; T50-L52 VanDerWaalsContact C-N 3.35Å; T50-L52 PolarHBondContact O-N 3.21Å; T50-Q53 PolarHBondContact O-N 3.02Å; T50-T54 WeakPolarHBondContact O-CB 3.46Å; T50-T54 PolarHBondContact O-N 2.95Å; T50-T54 PolarHBondContact O-OG1 3.23Å; T50-E60 HydrophobicContact CG2-CB 4.04Å; T50-E60 HydrophobicContact CG2-CG 3.69Å; T50-E60 WeakPolarHBondContact CG2-OE2 3.03Å; T50-E60 PolarHBondContact OG1-OE1 3.14Å
51	A	95.2	Very high	89.6	Confident	2 Å²	2	42.8 Å²	42.8	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-42	175.6	0	0	0	0	0	111.7	A47 K48 T54 W55 I354 E355	A47-A51 WeakPolarHBondContact O-CB 3.11Å; A47-A51 PolarHBondContact O-N 2.81Å; K48-A51 PolarHBondContact O-N 2.58Å; A51-T54 PolarHBondContact O-N 2.94Å; A51-W55 VanDerWaalsContact O-CB 3.28Å; A51-W55 WeakPolarHBondContact O-CB 3.16Å; A51-W55 PolarHBondContact O-N 2.84Å; A51-I354 HydrophobicContact CB-CB 4.33Å; A51-I354 HydrophobicContact CB-CG2 4.07Å; A51-I354 WeakPolarHBondContact O-CD1 3.46Å; A51-E355 HydrophobicContact CB-CG 3.77Å; A51-E355 WeakPolarHBondContact CB-OE2 3.46Å
52	L	96.2	Very high	90.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-41.8	175.4	-179.3	62.4	0	0	0	112	L17 V36 K48 S49 T50 W55 L56 F137 V168	L17-L52 HydrophobicContact CD2-CD1 4.47Å; V36-L52 HydrophobicContact CG1-CD2 4.47Å; V36-L52 HydrophobicContact CG2-CD2 3.84Å; K48-L52 WeakPolarHBondContact O-CB 3.23Å; K48-L52 PolarHBondContact O-N 2.97Å; S49-L52 PolarHBondContact O-N 2.89Å; T50-L52 VanDerWaalsContact C-N 3.35Å; T50-L52 PolarHBondContact O-N 3.21Å; L52-W55 HydrophobicContact CD1-CE3 3.96Å; L52-W55 HydrophobicContact CD1-CZ3 4.41Å; L52-W55 PolarHBondContact O-N 3.1Å; L52-L56 HydrophobicContact CD1-CD1 4.03Å; L52-L56 HydrophobicContact CD1-CG 4.14Å; L52-L56 HydrophobicContact CG-CD1 4.03Å; L52-L56 HydrophobicContact CG-CG 4.5Å; L52-L56 WeakPolarHBondContact O-CB 3.04Å; L52-L56 WeakPolarHBondContact O-CG 3.36Å; L52-L56 PolarHBondContact O-N 3.37Å; L52-F137 HydrophobicContact CD2-CE2 4.07Å; L52-F137 HydrophobicContact CD2-CZ 3.94Å; L52-V168 HydrophobicContact CD1-CG1 4.26Å
53	Q	94.4	Very high	90.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-47.6	174.2	-77.3	-168.9	-6.4	0	0	111.9	V38 S49 T50 W55 L56 F57 Y59 L61 M66	V38-Q53 HydrophobicContact CG2-CG 4.15Å; S49-Q53 PolarHBondContact O-N 2.91Å; T50-Q53 PolarHBondContact O-N 3.02Å; Q53-W55 VanDerWaalsContact C-N 3.28Å; Q53-W55 PolarHBondContact O-N 3.14Å; Q53-L56 PolarHBondContact O-N 3.35Å; Q53-F57 HydrophobicContact CB-CD2 4.15Å; Q53-F57 HydrophobicContact CB-CE2 4.44Å; Q53-F57 HydrophobicContact CG-CD2 4.42Å; Q53-F57 HydrophobicContact CG-CE2 4.24Å; Q53-F57 WeakPolarHBondContact O-CB 3.41Å; Q53-F57 WeakPolarHBondContact O-CD2 3.44Å; Q53-F57 PolarHBondContact O-N 2.71Å; Q53-Y59 CarbonylContact C-O 3.55Å; Q53-L61 PolarHBondContact NE2-O 2.99Å; Q53-L61 VanDerWaalsContact NE2-O 3.14Å; Q53-L61 VanDerWaalsContact OE1-C 3.27Å; Q53-L61 PolarHBondContact OE1-O 3.17Å; Q53-M66 HydrophobicContact CG-CE 3.46Å; Q53-M66 VanDerWaalsContact CG-CE 3.46Å; Q53-M66 HydrophobicContact CG-SD 4.04Å
54	T	94	Very high	91.6	Very high	3 Å²	3	27 Å²	27	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-39.8	178.4	-57.8	0	0	0	0	110.7	T50 A51 G58 I354	T50-T54 WeakPolarHBondContact O-CB 3.46Å; T50-T54 PolarHBondContact O-N 2.95Å; T50-T54 PolarHBondContact O-OG1 3.23Å; A51-T54 PolarHBondContact O-N 2.94Å; T54-G58 WeakPolarHBondContact O-CA 3.38Å; T54-G58 PolarHBondContact O-N 2.93Å; T54-I354 HydrophobicContact CG2-CD1 3.97Å; T54-I354 HydrophobicContact CG2-CG1 4.36Å; T54-I354 HydrophobicContact CG2-CG2 4.04Å
55	W	95.8	Very high	92.4	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-41.9	174.6	-173.9	70.1	0	0	0	112.1	R13 R16 A51 L52 Q53 I172 I354	R13-W55 HydrophobicContact CB-CD2 4.2Å; R13-W55 HydrophobicContact CB-CE3 3.97Å; R13-W55 HydrophobicContact CB-CH2 3.48Å; R13-W55 VanDerWaalsContact CB-CH2 3.48Å; R13-W55 HydrophobicContact CB-CZ2 3.69Å; R13-W55 HydrophobicContact CB-CZ3 3.62Å; R13-W55 WeakPolarHBondContact CD-O 3.33Å; R13-W55 HydrophobicContact CG-CD2 4.14Å; R13-W55 HydrophobicContact CG-CE3 4.42Å; R13-W55 HydrophobicContact CG-CH2 3.89Å; R13-W55 HydrophobicContact CG-CZ2 3.51Å; R13-W55 HydrophobicContact CG-CZ3 4.32Å; R13-W55 PolarHBondContact NE-O 2.85Å; R13-W55 PolarHBondContact NH1-O 3.46Å; R13-W55 VanDerWaalsContact O-CH2 3.23Å; R13-W55 WeakPolarHBondContact O-CH2 3.48Å; R13-W55 WeakPolarHBondContact O-CZ3 3.3Å; R16-W55 HydrophobicContact CB-CH2 4.44Å; A51-W55 VanDerWaalsContact O-CB 3.28Å; A51-W55 WeakPolarHBondContact O-CB 3.16Å; A51-W55 PolarHBondContact O-N 2.84Å; L52-W55 HydrophobicContact CD1-CE3 3.96Å; L52-W55 HydrophobicContact CD1-CZ3 4.41Å; L52-W55 PolarHBondContact O-N 3.1Å; Q53-W55 VanDerWaalsContact C-N 3.28Å; Q53-W55 PolarHBondContact O-N 3.14Å; W55-I172 HydrophobicContact CD2-CB 4.18Å; W55-I172 HydrophobicContact CD2-CG2 3.53Å; W55-I172 HydrophobicContact CE3-CG2 3.58Å; W55-I172 HydrophobicContact CG-CB 4.33Å; W55-I172 HydrophobicContact CG-CG2 4.04Å; W55-I172 HydrophobicContact CH2-CG2 4.08Å; W55-I172 HydrophobicContact CZ2-CG2 4.06Å; W55-I172 HydrophobicContact CZ3-CG2 3.85Å; W55-I354 HydrophobicContact CB-CD1 3.74Å
56	L	94.7	Very high	93.2	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-74.5	-39.6	-179.4	-71.9	173.3	0	0	0	113.1	Y10 R13 V14 L52 Q53 F68	Y10-L56 HydrophobicContact CD2-CB 4.22Å; Y10-L56 HydrophobicContact CD2-CD2 4.46Å; Y10-L56 HydrophobicContact CE2-CB 4.43Å; Y10-L56 HydrophobicContact CE2-CD2 4.46Å; R13-L56 HydrophobicContact CB-CD2 4.05Å; V14-L56 HydrophobicContact CB-CD2 4.27Å; L52-L56 HydrophobicContact CD1-CD1 4.03Å; L52-L56 HydrophobicContact CD1-CG 4.14Å; L52-L56 HydrophobicContact CG-CD1 4.03Å; L52-L56 HydrophobicContact CG-CG 4.5Å; L52-L56 WeakPolarHBondContact O-CB 3.04Å; L52-L56 WeakPolarHBondContact O-CG 3.36Å; L52-L56 PolarHBondContact O-N 3.37Å; Q53-L56 PolarHBondContact O-N 3.35Å; L56-F68 HydrophobicContact CD1-CE1 4.37Å; L56-F68 HydrophobicContact CD1-CZ 3.91Å
57	F	93	Very high	93.5	Very high	7 Å²	7	17.6 Å²	17.6	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-113.1	-14.2	-167.1	-52	-49.1	0	0	0	114.3	L5 Y10 Q53 Y59 L61 M66 F75 F84 L85 I88	L5-F57 HydrophobicContact CD1-CD1 3.96Å; Y10-F57 AromaticContact CD2-CD1 3.97Å; Y10-F57 HydrophobicContact CD2-CD1 3.97Å; Y10-F57 AromaticContact CD2-CE1 3.81Å; Y10-F57 HydrophobicContact CD2-CE1 3.81Å; Y10-F57 HydrophobicContact CE2-CD1 4.23Å; Y10-F57 AromaticContact CE2-CE1 3.59Å; Y10-F57 HydrophobicContact CE2-CE1 3.59Å; Y10-F57 HydrophobicContact CE2-CZ 4.48Å; Q53-F57 HydrophobicContact CB-CD2 4.15Å; Q53-F57 HydrophobicContact CB-CE2 4.44Å; Q53-F57 HydrophobicContact CG-CD2 4.42Å; Q53-F57 HydrophobicContact CG-CE2 4.24Å; Q53-F57 WeakPolarHBondContact O-CB 3.41Å; Q53-F57 WeakPolarHBondContact O-CD2 3.44Å; Q53-F57 PolarHBondContact O-N 2.71Å; F57-Y59 WeakPolarHBondContact O-CD2 3.3Å; F57-Y59 PolarHBondContact O-N 3.12Å; F57-L61 HydrophobicContact CD2-CD1 3.77Å; F57-L61 HydrophobicContact CD2-CG 4.32Å; F57-L61 HydrophobicContact CE2-CD1 4.03Å; F57-L61 HydrophobicContact CG-CD1 4.37Å; F57-M66 HydrophobicContact CE2-SD 3.55Å; F57-M66 VanDerWaalsContact CE2-SD 3.55Å; F57-M66 HydrophobicContact CZ-SD 3.73Å; F57-F75 HydrophobicContact CE1-CE2 4.06Å; F57-F75 HydrophobicContact CE1-CZ 4.27Å; F57-F75 HydrophobicContact CZ-CD2 4.49Å; F57-F75 HydrophobicContact CZ-CE1 4.48Å; F57-F75 AromaticContact CZ-CE2 3.86Å; F57-F75 HydrophobicContact CZ-CE2 3.86Å; F57-F75 AromaticContact CZ-CZ 3.83Å; F57-F75 HydrophobicContact CZ-CZ 3.83Å; F57-F84 HydrophobicContact CB-CE1 4.37Å; F57-L85 HydrophobicContact CD1-CD2 4.06Å; F57-L85 HydrophobicContact CE1-CD2 3.74Å; F57-L85 HydrophobicContact CE2-CD2 4.42Å; F57-L85 HydrophobicContact CZ-CD2 3.95Å; F57-I88 HydrophobicContact CD1-CD1 4.49Å; F57-I88 HydrophobicContact CE1-CD1 3.94Å
58	G	90.1	Very high	93.7	Very high	40 Å²	40	17.3 Å²	17.3	41%	0.412	9%	0.093	S	C	.	.	S	Bend	trans	76.5	2.1	-168.9	0	0	0	0	0	114	T54	T54-G58 WeakPolarHBondContact O-CA 3.38Å; T54-G58 PolarHBondContact O-N 2.93Å
59	Y	86.6	Confident	93.8	Very high	111 Å²	111	16.8 Å²	16.8	44%	0.435	9%	0.091	S	C	.	.	S	Bend	trans	-146.1	148.2	-176.3	-64.5	-85.6	0	0	0	111	V3 Q53 F57 F84	V3-Y59 HydrophobicContact CG1-CD1 4.35Å; V3-Y59 HydrophobicContact CG1-CD2 3.94Å; V3-Y59 HydrophobicContact CG1-CE1 3.8Å; V3-Y59 HydrophobicContact CG1-CE2 3.35Å; V3-Y59 HydrophobicContact CG1-CG 4.42Å; Q53-Y59 CarbonylContact C-O 3.55Å; F57-Y59 WeakPolarHBondContact O-CD2 3.3Å; F57-Y59 PolarHBondContact O-N 3.12Å; Y59-F84 AromaticContact CD2-CZ 3.92Å; Y59-F84 HydrophobicContact CD2-CZ 3.92Å; Y59-F84 HydrophobicContact CE2-CZ 4.47Å
60	E	88	Confident	93.6	Very high	85 Å²	85	19.4 Å²	19.4	40%	0.397	11%	0.105	S	C	.	.			trans	-77.5	126.9	165.4	177.1	172.1	-172	0	0	110.5	T50 T62	T50-E60 HydrophobicContact CG2-CB 4.04Å; T50-E60 HydrophobicContact CG2-CG 3.69Å; T50-E60 WeakPolarHBondContact CG2-OE2 3.03Å; T50-E60 PolarHBondContact OG1-OE1 3.14Å; E60-T62 HydrophobicContact CG-CG2 4.2Å
61	L	91.2	Very high	93.4	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.063	13%	0.127	C	C	.	.			trans	-112.4	84.5	175.2	-58.6	-179	0	0	0	108.1	Q53 F57 T64 K81 F84 L85	Q53-L61 PolarHBondContact NE2-O 2.99Å; Q53-L61 VanDerWaalsContact NE2-O 3.14Å; Q53-L61 VanDerWaalsContact OE1-C 3.27Å; Q53-L61 PolarHBondContact OE1-O 3.17Å; F57-L61 HydrophobicContact CD2-CD1 3.77Å; F57-L61 HydrophobicContact CD2-CG 4.32Å; F57-L61 HydrophobicContact CE2-CD1 4.03Å; F57-L61 HydrophobicContact CG-CD1 4.37Å; L61-T64 WeakPolarHBondContact O-CB 3.27Å; L61-T64 PolarHBondContact O-OG1 3.2Å; L61-K81 HydrophobicContact CB-CD 4.38Å; L61-K81 HydrophobicContact CD2-CD 4.46Å; L61-K81 HydrophobicContact CD2-CG 4.3Å; L61-F84 HydrophobicContact CD1-CD1 4.33Å; L61-F84 HydrophobicContact CD1-CE1 4.39Å; L61-F84 HydrophobicContact CD2-CD1 4.27Å; L61-F84 HydrophobicContact CD2-CE1 4.37Å; L61-L85 HydrophobicContact CD1-CD1 4.19Å; L61-L85 HydrophobicContact CD1-CD2 3.91Å; L61-L85 HydrophobicContact CD1-CG 4.18Å
62	T	91.3	Very high	93.2	Very high	43 Å²	43	25.6 Å²	25.6	26%	0.264	14%	0.135	S	C	.	.	S	Bend	trans	-51.4	160.9	175.2	55.3	0	0	0	0	111.9	G39 V40 E60 T64 K81	G39-T62 WeakPolarHBondContact O-CA 3.22Å; G39-T62 VanDerWaalsContact O-CB 3.31Å; G39-T62 WeakPolarHBondContact O-CB 3.39Å; V40-T62 HydrophobicContact CG2-CG2 4.33Å; E60-T62 HydrophobicContact CG-CG2 4.2Å; T62-T64 PolarHBondContact O-N 3.03Å; T62-T64 VanDerWaalsContact O-N 3.1Å; T62-T64 PolarHBondContact O-OG1 3.47Å; T62-K81 VanDerWaalsContact C-NZ 3.33Å; T62-K81 PolarHBondContact O-NZ 2.93Å; T62-K81 PolarHBondContact OG1-NZ 3.41Å
63	D	91.7	Very high	93.2	Very high	37 Å²	37	25.5 Å²	25.5	20%	0.198	14%	0.135	C	C	.	.	S	Bend	trans	55.3	37.2	170.3	-97.6	-10.7	0	0	0	113.8	V38 G39 V40 R108 F146	V38-D63 CarbonylContact O-C 3.57Å; V38-D63 WeakPolarHBondContact O-CA 3.42Å; V38-D63 PolarHBondContact O-N 3.03Å; G39-D63 PolarHBondContact O-N 2.86Å; V40-D63 HydrophobicContact CG2-CB 4.22Å; D63-R108 IonicContact OD1-NH1 2.71Å; D63-R108 PolarHBondContact OD1-NH1 3.32Å; D63-R108 IonicContact OD2-CZ 3.61Å; D63-R108 IonicContact OD2-NH1 2.62Å; D63-R108 PolarHBondContact OD2-NH1 3.39Å; D63-R108 IonicContact OD2-NH2 3.6Å; D63-F146 WeakPolarHBondContact O-CE1 3.14Å
64	T	94.8	Very high	93.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.5	-173.3	-59.2	0	0	0	0	110.4	V38 L61 T62 M66 M76 A77	V38-T64 PolarHBondContact N-O 3.37Å; V38-T64 PolarHBondContact O-N 3.48Å; L61-T64 WeakPolarHBondContact O-CB 3.27Å; L61-T64 PolarHBondContact O-OG1 3.2Å; T62-T64 PolarHBondContact O-N 3.03Å; T62-T64 VanDerWaalsContact O-N 3.1Å; T62-T64 PolarHBondContact O-OG1 3.47Å; T64-M66 HydrophobicContact CG2-CG 4.25Å; T64-M76 WeakPolarHBondContact CA-O 3.37Å; T64-A77 HydrophobicContact CG2-CB 3.97Å
65	I	96.8	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.2	174.7	-58.6	160.7	0	0	0	108.1	V67 F75 M76 F118 M121 F146 W150	I65-V67 HydrophobicContact CG2-CG2 4.21Å; I65-F75 CarbonylContact O-C 3.54Å; I65-F75 WeakPolarHBondContact O-CA 3.36Å; I65-M76 HydrophobicContact CB-CB 4.42Å; I65-M76 HydrophobicContact CD1-SD 4.5Å; I65-M76 PolarHBondContact N-O 3.23Å; I65-M76 PolarHBondContact O-N 3.19Å; I65-F118 HydrophobicContact CD1-CD1 4.45Å; I65-F118 HydrophobicContact CD1-CE1 3.78Å; I65-M121 HydrophobicContact CB-CE 4.26Å; I65-M121 HydrophobicContact CB-SD 4.36Å; I65-M121 HydrophobicContact CG2-CE 4.09Å; I65-M121 HydrophobicContact CG2-SD 3.91Å; I65-F146 HydrophobicContact CD1-CE1 3.96Å; I65-F146 HydrophobicContact CD1-CE2 4.33Å; I65-F146 HydrophobicContact CD1-CZ 3.54Å; I65-F146 HydrophobicContact CG1-CE1 4.14Å; I65-F146 HydrophobicContact CG1-CZ 4.12Å; I65-W150 HydrophobicContact CD1-CB 3.8Å; I65-W150 HydrophobicContact CD1-CD2 3.59Å; I65-W150 HydrophobicContact CD1-CE3 4.06Å; I65-W150 HydrophobicContact CD1-CG 3.45Å; I65-W150 VanDerWaalsContact CD1-CG 3.45Å; I65-W150 HydrophobicContact CG1-CD2 4.43Å; I65-W150 HydrophobicContact CG1-CG 4.2Å; I65-W150 HydrophobicContact CG2-CD2 4.42Å; I65-W150 HydrophobicContact CG2-CH2 4.49Å; I65-W150 HydrophobicContact CG2-CZ2 3.88Å
66	M	97.3	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.9	174.5	-53.8	-175.7	-65.4	0	0	109.2	V36 Q53 F57 T64 F68 I74 F75	V36-M66 HydrophobicContact CB-CB 4.27Å; V36-M66 HydrophobicContact CB-CE 3.71Å; V36-M66 HydrophobicContact CG1-CE 3.5Å; V36-M66 VanDerWaalsContact CG1-CE 3.5Å; V36-M66 HydrophobicContact CG2-CE 4.36Å; V36-M66 PolarHBondContact N-O 2.79Å; V36-M66 PolarHBondContact O-N 2.82Å; Q53-M66 HydrophobicContact CG-CE 3.46Å; Q53-M66 VanDerWaalsContact CG-CE 3.46Å; Q53-M66 HydrophobicContact CG-SD 4.04Å; F57-M66 HydrophobicContact CE2-SD 3.55Å; F57-M66 VanDerWaalsContact CE2-SD 3.55Å; F57-M66 HydrophobicContact CZ-SD 3.73Å; T64-M66 HydrophobicContact CG2-CG 4.25Å; M66-F68 HydrophobicContact CB-CD2 4.48Å; M66-F68 HydrophobicContact CB-CE2 3.72Å; M66-F68 HydrophobicContact CB-CZ 4.17Å; M66-F68 HydrophobicContact CE-CE2 4.3Å; M66-F68 HydrophobicContact CE-CZ 4.4Å; M66-F68 HydrophobicContact SD-CE2 4.5Å; M66-F68 HydrophobicContact SD-CZ 4.23Å; M66-I74 WeakPolarHBondContact CA-O 3.3Å; M66-F75 HydrophobicContact CB-CD1 3.64Å; M66-F75 HydrophobicContact CB-CE1 3.72Å; M66-F75 HydrophobicContact CG-CD1 3.52Å; M66-F75 HydrophobicContact CG-CE1 3.71Å; M66-F75 HydrophobicContact CG-CG 4.42Å; M66-F75 HydrophobicContact SD-CD1 4.22Å; M66-F75 HydrophobicContact SD-CE1 3.87Å; M66-F75 HydrophobicContact SD-CZ 4.44Å
67	V	97.4	Very high	93.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.9	174.7	179.7	0	0	0	0	107.6	I34 I65 I73 I74 M121 I125	I34-V67 CarbonylContact O-C 3.59Å; I34-V67 WeakPolarHBondContact O-CA 3.47Å; I65-V67 HydrophobicContact CG2-CG2 4.21Å; V67-I73 CarbonylContact O-C 3.59Å; V67-I73 WeakPolarHBondContact O-CA 3.44Å; V67-I74 HydrophobicContact CB-CB 4.42Å; V67-I74 PolarHBondContact N-O 2.83Å; V67-I74 PolarHBondContact O-N 2.83Å; V67-M121 HydrophobicContact CG2-CB 4.28Å; V67-M121 HydrophobicContact CG2-CE 4.3Å; V67-M121 HydrophobicContact CG2-CG 4.33Å; V67-M121 HydrophobicContact CG2-SD 4.24Å; V67-I125 HydrophobicContact CG1-CD1 4.04Å; V67-I125 HydrophobicContact CG1-CG1 3.54Å; V67-I125 HydrophobicContact CG2-CD1 4.37Å
68	F	96.4	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.5	174.1	-54.8	-98.1	0	0	0	107.8	V14 L17 Y18 W21 A33 I34 V36 L56 M66 I73 F75	V14-F68 HydrophobicContact CG2-CE1 4.39Å; L17-F68 HydrophobicContact CD2-CE1 4.42Å; Y18-F68 HydrophobicContact CE2-CD1 4.04Å; W21-F68 VanDerWaalsContact CH2-O 3.28Å; W21-F68 WeakPolarHBondContact CH2-O 3.42Å; W21-F68 HydrophobicContact CZ3-CB 4.22Å; A33-F68 CarbonylContact C-O 3.57Å; A33-F68 WeakPolarHBondContact CA-O 3.33Å; I34-F68 HydrophobicContact CB-CB 4.14Å; I34-F68 HydrophobicContact CB-CD2 4.24Å; I34-F68 HydrophobicContact CG2-CD2 4.16Å; I34-F68 PolarHBondContact N-O 3.2Å; I34-F68 PolarHBondContact O-N 3.37Å; V36-F68 HydrophobicContact CG2-CD2 4.47Å; V36-F68 HydrophobicContact CG2-CE2 4.05Å; L56-F68 HydrophobicContact CD1-CE1 4.37Å; L56-F68 HydrophobicContact CD1-CZ 3.91Å; M66-F68 HydrophobicContact CB-CD2 4.48Å; M66-F68 HydrophobicContact CB-CE2 3.72Å; M66-F68 HydrophobicContact CB-CZ 4.17Å; M66-F68 HydrophobicContact CE-CE2 4.3Å; M66-F68 HydrophobicContact CE-CZ 4.4Å; M66-F68 HydrophobicContact SD-CE2 4.5Å; M66-F68 HydrophobicContact SD-CZ 4.23Å; F68-I73 HydrophobicContact CD1-CD1 4.13Å; F68-I73 HydrophobicContact CD1-CG1 3.9Å; F68-I73 HydrophobicContact CD1-CG2 4.05Å; F68-I73 HydrophobicContact CE1-CD1 4.43Å; F68-I73 HydrophobicContact CE1-CG2 4.15Å; F68-F75 HydrophobicContact CE1-CE1 4.18Å; F68-F75 HydrophobicContact CE1-CZ 4.39Å; F68-F75 HydrophobicContact CZ-CE1 4.03Å; F68-F75 HydrophobicContact CZ-CZ 4.48Å
69	C	95.7	Very high	93.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.			trans	-97.7	172.5	170.1	-58.6	0	0	0	0	109.3	Y18 D71 K72 A124 S128	Y18-C69 VanDerWaalsContact CE1-O 3.26Å; Y18-C69 WeakPolarHBondContact CE1-O 3.42Å; Y18-C69 PolarHBondContact OH-O 3.49Å; C69-D71 VanDerWaalsContact C-N 3.34Å; C69-D71 PolarHBondContact O-N 2.92Å; C69-K72 CarbonylContact C-O 3.45Å; C69-K72 WeakPolarHBondContact CA-O 3.46Å; C69-K72 HydrophobicContact CB-CG 4.06Å; C69-K72 VanDerWaalsContact CB-O 3.27Å; C69-K72 WeakPolarHBondContact CB-O 3.41Å; C69-K72 PolarHBondContact N-O 3.47Å; C69-A124 PolarHBondContact SG-O 2.93Å; C69-S128 WeakPolarHBondContact CA-OG 3.03Å; C69-S128 WeakPolarHBondContact CB-OG 3.49Å
70	D	90.9	Very high	93.7	Very high	57 Å²	57	36.2 Å²	36.2	31%	0.305	18%	0.176	S	C	.	.	S	Bend	trans	-65.8	-36.5	179.7	-170.6	41.4	0	0	0	112.8	R22 S128 K129	R22-D70 IonicContact CZ-OD1 3.33Å; R22-D70 IonicContact NE-OD1 3.82Å; R22-D70 PolarHBondContact NE-OD1 2.87Å; R22-D70 PolarHBondContact NH2-O 2.82Å; R22-D70 IonicContact NH2-OD1 2.7Å; R22-D70 PolarHBondContact NH2-OD1 3.43Å; D70-S128 PolarHBondContact N-OG 2.77Å; D70-K129 HydrophobicContact CB-CG 4.1Å
71	D	89.5	Confident	93.9	Very high	94 Å²	94	34.2 Å²	34.2	50%	0.503	17%	0.166	S	C	.	.	S	Bend	trans	-108	-17	-173.4	70.7	-29.3	0	0	0	114.6	C69 P101	C69-D71 VanDerWaalsContact C-N 3.34Å; C69-D71 PolarHBondContact O-N 2.92Å; D71-P101 WeakPolarHBondContact O-CB 3.41Å
72	K	92.3	Very high	93.9	Very high	44 Å²	44	34 Å²	34	19%	0.191	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.4	-178.7	73.1	-165.8	94.9	168.4	0	112.7	C69 I74 A102 A124 E127	C69-K72 CarbonylContact C-O 3.45Å; C69-K72 WeakPolarHBondContact CA-O 3.46Å; C69-K72 HydrophobicContact CB-CG 4.06Å; C69-K72 VanDerWaalsContact CB-O 3.27Å; C69-K72 WeakPolarHBondContact CB-O 3.41Å; C69-K72 PolarHBondContact N-O 3.47Å; K72-I74 HydrophobicContact CD-CD1 4.42Å; K72-I74 HydrophobicContact CG-CG1 4.41Å; K72-A102 CarbonylContact C-O 3.58Å; K72-A102 WeakPolarHBondContact CA-O 3.49Å; K72-A124 HydrophobicContact CD-CB 4.15Å; K72-E127 IonicContact NZ-OE2 2.74Å; K72-E127 PolarHBondContact NZ-OE2 3.15Å
73	I	94.8	Very high	93.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.4	171.7	-63.5	164.6	0	0	0	107.6	V14 Y18 V67 F68 F75 P101 A102 I103 T104	V14-I73 HydrophobicContact CG2-CD1 3.97Å; Y18-I73 HydrophobicContact CE2-CD1 3.83Å; Y18-I73 HydrophobicContact CE2-CG1 4.13Å; Y18-I73 WeakPolarHBondContact OH-CG1 3.39Å; V67-I73 CarbonylContact O-C 3.59Å; V67-I73 WeakPolarHBondContact O-CA 3.44Å; F68-I73 HydrophobicContact CD1-CD1 4.13Å; F68-I73 HydrophobicContact CD1-CG1 3.9Å; F68-I73 HydrophobicContact CD1-CG2 4.05Å; F68-I73 HydrophobicContact CE1-CD1 4.43Å; F68-I73 HydrophobicContact CE1-CG2 4.15Å; I73-F75 HydrophobicContact CG2-CD1 3.78Å; I73-F75 HydrophobicContact CG2-CE1 3.17Å; I73-F75 HydrophobicContact CG2-CE2 4.16Å; I73-F75 HydrophobicContact CG2-CG 4.49Å; I73-F75 HydrophobicContact CG2-CZ 3.41Å; I73-F75 VanDerWaalsContact CG2-CZ 3.41Å; I73-P101 HydrophobicContact CD1-CB 4.38Å; I73-P101 HydrophobicContact CG1-CB 4.18Å; I73-A102 PolarHBondContact N-O 3.2Å; I73-I103 HydrophobicContact CB-CG1 4.29Å; I73-I103 HydrophobicContact CD1-CG1 4.34Å; I73-I103 CarbonylContact O-C 3.49Å; I73-I103 WeakPolarHBondContact O-CA 3.43Å; I73-T104 PolarHBondContact O-N 2.89Å
74	I	96.2	Very high	93.9	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.046	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.4	177.6	-47.7	-177.2	0	0	0	109.4	M66 V67 K72 T104 L106 M121 A124	M66-I74 WeakPolarHBondContact CA-O 3.3Å; V67-I74 HydrophobicContact CB-CB 4.42Å; V67-I74 PolarHBondContact N-O 2.83Å; V67-I74 PolarHBondContact O-N 2.83Å; K72-I74 HydrophobicContact CD-CD1 4.42Å; K72-I74 HydrophobicContact CG-CG1 4.41Å; I74-T104 WeakPolarHBondContact CA-O 3.39Å; I74-L106 HydrophobicContact CG2-CD1 3.7Å; I74-L106 HydrophobicContact CG2-CG 3.92Å; I74-M121 HydrophobicContact CB-CE 4.22Å; I74-M121 HydrophobicContact CG2-CE 3.65Å; I74-M121 HydrophobicContact CG2-CG 4.01Å; I74-A124 HydrophobicContact CD1-CB 3.34Å
75	F	96.3	Very high	93.7	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	172.5	-58	-30.8	0	0	0	110.2	F57 I65 M66 F68 I73 L85 I88 I103 T104 L105 L106	F57-F75 HydrophobicContact CE1-CE2 4.06Å; F57-F75 HydrophobicContact CE1-CZ 4.27Å; F57-F75 HydrophobicContact CZ-CD2 4.49Å; F57-F75 HydrophobicContact CZ-CE1 4.48Å; F57-F75 AromaticContact CZ-CE2 3.86Å; F57-F75 HydrophobicContact CZ-CE2 3.86Å; F57-F75 AromaticContact CZ-CZ 3.83Å; F57-F75 HydrophobicContact CZ-CZ 3.83Å; I65-F75 CarbonylContact O-C 3.54Å; I65-F75 WeakPolarHBondContact O-CA 3.36Å; M66-F75 HydrophobicContact CB-CD1 3.64Å; M66-F75 HydrophobicContact CB-CE1 3.72Å; M66-F75 HydrophobicContact CG-CD1 3.52Å; M66-F75 HydrophobicContact CG-CE1 3.71Å; M66-F75 HydrophobicContact CG-CG 4.42Å; M66-F75 HydrophobicContact SD-CD1 4.22Å; M66-F75 HydrophobicContact SD-CE1 3.87Å; M66-F75 HydrophobicContact SD-CZ 4.44Å; F68-F75 HydrophobicContact CE1-CE1 4.18Å; F68-F75 HydrophobicContact CE1-CZ 4.39Å; F68-F75 HydrophobicContact CZ-CE1 4.03Å; F68-F75 HydrophobicContact CZ-CZ 4.48Å; I73-F75 HydrophobicContact CG2-CD1 3.78Å; I73-F75 HydrophobicContact CG2-CE1 3.17Å; I73-F75 HydrophobicContact CG2-CE2 4.16Å; I73-F75 HydrophobicContact CG2-CG 4.49Å; I73-F75 HydrophobicContact CG2-CZ 3.41Å; I73-F75 VanDerWaalsContact CG2-CZ 3.41Å; F75-L85 HydrophobicContact CB-CD1 4.14Å; F75-L85 HydrophobicContact CD2-CD1 4.08Å; F75-L85 HydrophobicContact CD2-CD2 4.31Å; F75-L85 HydrophobicContact CG-CD1 4.46Å; F75-I88 HydrophobicContact CE2-CD1 4Å; F75-I103 HydrophobicContact CD2-CG2 3.87Å; F75-I103 HydrophobicContact CE2-CG2 3.97Å; F75-T104 PolarHBondContact N-O 2.87Å; F75-L105 HydrophobicContact CB-CD2 3.91Å; F75-L105 HydrophobicContact CD2-CD2 3.86Å; F75-L105 HydrophobicContact CG-CD2 4.34Å; F75-L105 WeakPolarHBondContact O-CA 3.42Å; F75-L106 PolarHBondContact O-N 3.43Å
76	M	95.8	Very high	93.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119	170.9	179.7	175	-170.7	0	0	109.7	T64 I65 L106 R108 N114 F118 M121 F146	T64-M76 WeakPolarHBondContact CA-O 3.37Å; I65-M76 HydrophobicContact CB-CB 4.42Å; I65-M76 HydrophobicContact CD1-SD 4.5Å; I65-M76 PolarHBondContact N-O 3.23Å; I65-M76 PolarHBondContact O-N 3.19Å; M76-L106 WeakPolarHBondContact CA-O 3.27Å; M76-L106 HydrophobicContact CB-CB 4.13Å; M76-L106 HydrophobicContact CG-CB 4.26Å; M76-R108 HydrophobicContact CE-CB 3.94Å; M76-R108 HydrophobicContact CE-CG 4.23Å; M76-R108 HydrophobicContact CG-CB 4.25Å; M76-N114 HydrophobicContact CE-CB 3.73Å; M76-N114 WeakPolarHBondContact CE-OD1 3.04Å; M76-F118 HydrophobicContact CE-CD1 4.41Å; M76-F118 HydrophobicContact CE-CE1 4.02Å; M76-F118 HydrophobicContact SD-CD1 3.85Å; M76-F118 HydrophobicContact SD-CE1 3.65Å; M76-M121 HydrophobicContact CB-CE 3.26Å; M76-M121 HydrophobicContact CB-SD 4.01Å; M76-M121 HydrophobicContact SD-SD 4.32Å; M76-F146 HydrophobicContact CE-CE2 4.15Å; M76-F146 HydrophobicContact SD-CE2 4.47Å; M76-F146 HydrophobicContact SD-CZ 4.39Å
77	A	94.8	Very high	92.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	172.6	-178.8	0	0	0	0	0	111	T64 K81 V82 L106 R108	T64-A77 HydrophobicContact CG2-CB 3.97Å; A77-K81 HydrophobicContact CB-CB 3.69Å; A77-K81 HydrophobicContact CB-CD 4.44Å; A77-V82 HydrophobicContact CB-CG2 4.21Å; A77-V82 WeakPolarHBondContact O-CG2 3.44Å; A77-L106 PolarHBondContact N-O 3.39Å; A77-R108 PolarHBondContact O-N 3Å
78	S	92.6	Very high	92.4	Very high	33 Å²	33	42.9 Å²	42.9	23%	0.231	20%	0.201	C	C	.	.			trans	-63.3	156.3	174	72.1	0	0	0	0	112	K80 K81 V82	S78-K80 VanDerWaalsContact C-N 3.26Å; S78-K80 PolarHBondContact O-N 2.83Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K81 WeakPolarHBondContact O-CA 3.38Å; S78-K81 PolarHBondContact O-N 2.76Å; S78-V82 PolarHBondContact O-N 3.16Å
79	K	92.2	Very high	91.7	Very high	160 Å²	160	44.3 Å²	44.3	70%	0.696	21%	0.213	S	C	*	.	H	α-helix	trans	-47.9	-42.7	-178.2	-171.6	176	-177.6	175.9	0	114.2	V82 E83 I107	K79-V82 PolarHBondContact O-N 3.41Å; K79-E83 PolarHBondContact O-N 3.24Å; K79-I107 HydrophobicContact CB-CG2 4.22Å
80	K	91.2	Very high	90.3	Very high	186 Å²	186	50.6 Å²	50.6	81%	0.809	25%	0.247	S	C	*	.	H	α-helix	trans	-66.2	-40	178.4	-171.4	-179.7	179.5	-176	0	112.3	S78 E83 F84	S78-K80 VanDerWaalsContact C-N 3.26Å; S78-K80 PolarHBondContact O-N 2.83Å; S78-K80 VanDerWaalsContact O-N 3.09Å; K80-E83 PolarHBondContact O-N 2.58Å; K80-F84 PolarHBondContact O-N 3.38Å
81	K	92.6	Very high	88.6	Confident	42 Å²	42	50.2 Å²	50.2	18%	0.183	25%	0.246	C	C	.	.	H	α-helix	trans	-72	-37.7	177.7	-67.4	175.9	177.2	173.1	0	111.3	L61 T62 A77 S78 E83 F84 L85	L61-K81 HydrophobicContact CB-CD 4.38Å; L61-K81 HydrophobicContact CD2-CD 4.46Å; L61-K81 HydrophobicContact CD2-CG 4.3Å; T62-K81 VanDerWaalsContact C-NZ 3.33Å; T62-K81 PolarHBondContact O-NZ 2.93Å; T62-K81 PolarHBondContact OG1-NZ 3.41Å; A77-K81 HydrophobicContact CB-CB 3.69Å; A77-K81 HydrophobicContact CB-CD 4.44Å; S78-K81 WeakPolarHBondContact O-CA 3.38Å; S78-K81 PolarHBondContact O-N 2.76Å; K81-E83 VanDerWaalsContact C-N 3.32Å; K81-E83 PolarHBondContact O-N 2.97Å; K81-F84 WeakPolarHBondContact O-CB 3.26Å; K81-F84 PolarHBondContact O-N 3.18Å; K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 3.23Å
82	V	92.3	Very high	86.6	Confident	7 Å²	7	56.1 Å²	56.1	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-43	171.2	169.4	0	0	0	0	111	A77 S78 K79 F84 L85 K86 L105 L106 I107	A77-V82 HydrophobicContact CB-CG2 4.21Å; A77-V82 WeakPolarHBondContact O-CG2 3.44Å; S78-V82 PolarHBondContact O-N 3.16Å; K79-V82 PolarHBondContact O-N 3.41Å; V82-F84 VanDerWaalsContact C-N 3.32Å; V82-F84 PolarHBondContact O-N 3.32Å; V82-L85 CarbonylContact O-C 3.57Å; V82-L85 PolarHBondContact O-N 3.27Å; V82-L85 VanDerWaalsContact O-N 3.15Å; V82-K86 WeakPolarHBondContact O-CG 3.33Å; V82-K86 PolarHBondContact O-N 3.4Å; V82-L105 HydrophobicContact CG1-CB 4.01Å; V82-L105 HydrophobicContact CG1-CD1 4.18Å; V82-L106 WeakPolarHBondContact CG2-O 3.02Å; V82-I107 HydrophobicContact CB-CG1 4.4Å; V82-I107 HydrophobicContact CG1-CG1 4.17Å; V82-I107 HydrophobicContact CG2-CG1 4.16Å
83	E	91.2	Very high	84.5	Confident	110 Å²	110	56.2 Å²	56.2	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-39.8	175.8	-163.7	61.6	-148.9	0	0	112.4	K79 K80 K81 K86	K79-E83 PolarHBondContact O-N 3.24Å; K80-E83 PolarHBondContact O-N 2.58Å; K81-E83 VanDerWaalsContact C-N 3.32Å; K81-E83 PolarHBondContact O-N 2.97Å; E83-K86 PolarHBondContact O-N 2.7Å; E83-K86 IonicContact OE1-NZ 3.84Å; E83-K86 WeakPolarHBondContact OE2-CD 3.46Å; E83-K86 WeakPolarHBondContact OE2-CE 3.19Å; E83-K86 IonicContact OE2-NZ 2.7Å; E83-K86 PolarHBondContact OE2-NZ 3.12Å
84	F	90.5	Very high	82	Confident	28 Å²	28	64.7 Å²	64.7	12%	0.123	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-44.7	172	171.5	-104.8	0	0	0	111.9	V3 L5 F57 Y59 L61 K80 K81 V82 K86 Q87	V3-F84 HydrophobicContact CB-CD2 4.46Å; V3-F84 HydrophobicContact CB-CE2 4.32Å; V3-F84 HydrophobicContact CG1-CD2 4.39Å; V3-F84 HydrophobicContact CG1-CE2 3.81Å; V3-F84 VanDerWaalsContact O-CD2 3.3Å; V3-F84 WeakPolarHBondContact O-CD2 3.11Å; V3-F84 WeakPolarHBondContact O-CE2 3.41Å; L5-F84 HydrophobicContact CB-CE1 4.35Å; L5-F84 HydrophobicContact CB-CE2 3.76Å; L5-F84 HydrophobicContact CB-CZ 3.63Å; L5-F84 HydrophobicContact CD1-CD1 4.41Å; L5-F84 HydrophobicContact CD1-CE1 3.78Å; L5-F84 HydrophobicContact CD1-CZ 3.9Å; L5-F84 HydrophobicContact CG-CE1 4.3Å; L5-F84 HydrophobicContact CG-CZ 3.92Å; F57-F84 HydrophobicContact CB-CE1 4.37Å; Y59-F84 AromaticContact CD2-CZ 3.92Å; Y59-F84 HydrophobicContact CD2-CZ 3.92Å; Y59-F84 HydrophobicContact CE2-CZ 4.47Å; L61-F84 HydrophobicContact CD1-CD1 4.33Å; L61-F84 HydrophobicContact CD1-CE1 4.39Å; L61-F84 HydrophobicContact CD2-CD1 4.27Å; L61-F84 HydrophobicContact CD2-CE1 4.37Å; K80-F84 PolarHBondContact O-N 3.38Å; K81-F84 WeakPolarHBondContact O-CB 3.26Å; K81-F84 PolarHBondContact O-N 3.18Å; V82-F84 VanDerWaalsContact C-N 3.32Å; V82-F84 PolarHBondContact O-N 3.32Å; F84-K86 PolarHBondContact O-N 3.11Å; F84-Q87 VanDerWaalsContact CD2-NE2 3.34Å; F84-Q87 WeakPolarHBondContact O-CB 3.45Å; F84-Q87 VanDerWaalsContact O-CG 3.3Å; F84-Q87 WeakPolarHBondContact O-CG 3.37Å; F84-Q87 PolarHBondContact O-N 2.97Å; F84-Q87 PolarHBondContact O-NE2 2.68Å
85	L	92	Very high	79.5	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-72.8	-20.4	-179.7	-67.4	169.5	0	0	0	114	L5 F57 L61 F75 K81 V82 Q87 I88 A89 L105	L5-L85 HydrophobicContact CD1-CD2 4.32Å; F57-L85 HydrophobicContact CD1-CD2 4.06Å; F57-L85 HydrophobicContact CE1-CD2 3.74Å; F57-L85 HydrophobicContact CE2-CD2 4.42Å; F57-L85 HydrophobicContact CZ-CD2 3.95Å; L61-L85 HydrophobicContact CD1-CD1 4.19Å; L61-L85 HydrophobicContact CD1-CD2 3.91Å; L61-L85 HydrophobicContact CD1-CG 4.18Å; F75-L85 HydrophobicContact CB-CD1 4.14Å; F75-L85 HydrophobicContact CD2-CD1 4.08Å; F75-L85 HydrophobicContact CD2-CD2 4.31Å; F75-L85 HydrophobicContact CG-CD1 4.46Å; K81-L85 WeakPolarHBondContact O-CG 3.47Å; K81-L85 PolarHBondContact O-N 3.23Å; V82-L85 CarbonylContact O-C 3.57Å; V82-L85 PolarHBondContact O-N 3.27Å; V82-L85 VanDerWaalsContact O-N 3.15Å; L85-Q87 PolarHBondContact O-N 3.01Å; L85-I88 HydrophobicContact CD2-CD1 4.2Å; L85-I88 WeakPolarHBondContact O-CG1 3.42Å; L85-I88 PolarHBondContact O-N 3.48Å; L85-A89 PolarHBondContact O-N 2.81Å; L85-L105 HydrophobicContact CB-CD1 4.14Å; L85-L105 HydrophobicContact CB-CD2 3.91Å; L85-L105 HydrophobicContact CD1-CD2 4.41Å
86	K	90.3	Very high	77.4	Confident	82 Å²	82	73.2 Å²	73.2	36%	0.357	37%	0.366	S	S	.	.	H	α-helix	trans	-56.3	-24	174.1	-79.8	179.5	-176.1	170.9	0	113	V82 E83 F84 I88 A89 N90 L105	V82-K86 WeakPolarHBondContact O-CG 3.33Å; V82-K86 PolarHBondContact O-N 3.4Å; E83-K86 PolarHBondContact O-N 2.7Å; E83-K86 IonicContact OE1-NZ 3.84Å; E83-K86 WeakPolarHBondContact OE2-CD 3.46Å; E83-K86 WeakPolarHBondContact OE2-CE 3.19Å; E83-K86 IonicContact OE2-NZ 2.7Å; E83-K86 PolarHBondContact OE2-NZ 3.12Å; F84-K86 PolarHBondContact O-N 3.11Å; K86-I88 PolarHBondContact O-N 2.76Å; K86-A89 PolarHBondContact O-N 3.26Å; K86-N90 PolarHBondContact O-N 3.5Å; K86-L105 HydrophobicContact CB-CD1 4.41Å; K86-L105 HydrophobicContact CG-CD1 3.81Å
87	Q	87.1	Confident	75.2	Confident	48 Å²	48	78.1 Å²	78.1	22%	0.224	41%	0.407	C	S	.	.	H	α-helix	trans	-54.5	-31.5	175.2	-68.6	178.9	74.3	0	0	113	V3 L5 K7 F84 L85	V3-Q87 PolarHBondContact O-NE2 3.45Å; L5-Q87 HydrophobicContact CB-CB 4.43Å; L5-Q87 VanDerWaalsContact N-OE1 3.11Å; K7-Q87 WeakPolarHBondContact CD-O 3.37Å; K7-Q87 WeakPolarHBondContact CE-O 3.28Å; K7-Q87 PolarHBondContact NZ-O 2.98Å; F84-Q87 VanDerWaalsContact CD2-NE2 3.34Å; F84-Q87 WeakPolarHBondContact O-CB 3.45Å; F84-Q87 VanDerWaalsContact O-CG 3.3Å; F84-Q87 WeakPolarHBondContact O-CG 3.37Å; F84-Q87 PolarHBondContact O-N 2.97Å; F84-Q87 PolarHBondContact O-NE2 2.68Å; L85-Q87 PolarHBondContact O-N 3.01Å
88	I	86.4	Confident	73.5	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-105.5	-9.1	179.6	55.3	168.7	0	0	0	114	L5 K7 Y10 Y11 F57 F75 L85 K86 I103	L5-I88 HydrophobicContact CD1-CD1 4.17Å; L5-I88 HydrophobicContact CD1-CG1 4.31Å; L5-I88 HydrophobicContact CD1-CG2 4.01Å; L5-I88 HydrophobicContact CD2-CG2 3.47Å; L5-I88 VanDerWaalsContact CD2-CG2 3.47Å; L5-I88 HydrophobicContact CG-CG2 4.36Å; K7-I88 HydrophobicContact CG-CG2 4.24Å; Y10-I88 HydrophobicContact CD1-CB 4.06Å; Y10-I88 HydrophobicContact CD1-CD1 4.03Å; Y10-I88 HydrophobicContact CD1-CG2 3.79Å; Y10-I88 HydrophobicContact CD2-CD1 3.94Å; Y10-I88 HydrophobicContact CE1-CB 4.15Å; Y10-I88 HydrophobicContact CE1-CD1 3.75Å; Y10-I88 HydrophobicContact CE1-CG1 4.5Å; Y10-I88 HydrophobicContact CE1-CG2 4.38Å; Y10-I88 HydrophobicContact CE2-CD1 3.65Å; Y10-I88 HydrophobicContact CG-CD1 4.13Å; Y10-I88 HydrophobicContact CG-CG2 4.05Å; Y11-I88 PolarHBondContact OH-O 2.98Å; F57-I88 HydrophobicContact CD1-CD1 4.49Å; F57-I88 HydrophobicContact CE1-CD1 3.94Å; F75-I88 HydrophobicContact CE2-CD1 4Å; L85-I88 HydrophobicContact CD2-CD1 4.2Å; L85-I88 WeakPolarHBondContact O-CG1 3.42Å; L85-I88 PolarHBondContact O-N 3.48Å; K86-I88 PolarHBondContact O-N 2.76Å; I88-I103 HydrophobicContact CB-CD1 4.25Å; I88-I103 HydrophobicContact CD1-CD1 3.96Å; I88-I103 HydrophobicContact CG1-CD1 4.1Å
89	A	81.4	Confident	72.3	Confident	29 Å²	29	82.4 Å²	82.4	24%	0.24	44%	0.439	C	S	.	.	H	α-helix	trans	-85.5	-24.7	176.9	0	0	0	0	0	113.5	L85 K86 T91 L105	L85-A89 PolarHBondContact O-N 2.81Å; K86-A89 PolarHBondContact O-N 3.26Å; A89-T91 VanDerWaalsContact C-N 3.27Å; A89-T91 PolarHBondContact O-N 3.44Å; A89-L105 HydrophobicContact CB-CD1 3.74Å; A89-L105 HydrophobicContact CB-CG 4.11Å
90	N	65.6	Low	71.6	Confident	133 Å²	133	75.2 Å²	75.2	71%	0.711	41%	0.409	S	S	*	.			trans	-81.1	49.1	-173.1	-74.5	-13	0	0	0	114.6	K86	K86-N90 PolarHBondContact O-N 3.5Å
91	T	54.7	Low	71.3	Confident	49 Å²	49	66.9 Å²	66.9	30%	0.301	37%	0.374	S	S	.	.			trans	-88.9	118.2	174.9	-2.7	0	0	0	0	110.4	Y11 A89 G93 N96	Y11-T91 PolarHBondContact OH-OG1 2.81Å; A89-T91 VanDerWaalsContact C-N 3.27Å; A89-T91 PolarHBondContact O-N 3.44Å; T91-G93 PolarHBondContact O-N 3.17Å; T91-G93 VanDerWaalsContact O-N 3.14Å; T91-N96 WeakPolarHBondContact CB-OD1 3.49Å; T91-N96 HydrophobicContact CG2-CB 4.26Å; T91-N96 PolarHBondContact OG1-OD1 2.87Å
92	K	48.4	Very low	71.1	Confident	217 Å²	217	67.7 Å²	67.7	94%	0.943	39%	0.389	S	S	*	.	S	Bend	trans	-69	103.2	171.1	-70.3	179.7	175.6	-180	0	109.3
93	G	47.9	Very low	71	Confident	46 Å²	46	68.4 Å²	68.4	47%	0.474	39%	0.392	S	S	.	.	S	Bend	trans	135.7	145	169.5	0	0	0	0	0	114.4	T91 E95	T91-G93 PolarHBondContact O-N 3.17Å; T91-G93 VanDerWaalsContact O-N 3.14Å; G93-E95 PolarHBondContact O-N 2.87Å
94	N	41.8	Very low	71.2	Confident	178 Å²	178	66.2 Å²	66.2	95%	0.952	39%	0.387	S	S	*	.	S	Bend	trans	-76.9	2.7	-174.7	-88.7	0.9	0	0	0	115.7
95	E	44.8	Very low	71.3	Confident	177 Å²	177	66.7 Å²	66.7	83%	0.827	39%	0.39	S	S	*	.	S	Bend	trans	-134.7	114.7	154.6	-71.2	-176	160.5	0	0	104.5	G93 A97	G93-E95 PolarHBondContact O-N 2.87Å; E95-A97 PolarHBondContact O-N 2.64Å; E95-A97 VanDerWaalsContact O-N 3.11Å
96	N	51.8	Low	71.5	Confident	13 Å²	13	67.6 Å²	67.6	7%	0.07	40%	0.395	C	S	.	.			trans	-49.9	126.8	174	-64.6	-34.6	0	0	0	106.3	T91 N98 G99 A100 P101	T91-N96 WeakPolarHBondContact CB-OD1 3.49Å; T91-N96 HydrophobicContact CG2-CB 4.26Å; T91-N96 PolarHBondContact OG1-OD1 2.87Å; N96-N98 PolarHBondContact O-N 3.45Å; N96-G99 PolarHBondContact O-N 2.85Å; N96-A100 PolarHBondContact ND2-O 3.21Å; N96-P101 PolarHBondContact ND2-O 3.14Å; N96-P101 VanDerWaalsContact ND2-O 3.12Å
97	A	50.7	Low	71.6	Confident	103 Å²	103	67 Å²	67	85%	0.851	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-1.8	-173.9	0	0	0	0	0	115.7	E95	E95-A97 PolarHBondContact O-N 2.64Å; E95-A97 VanDerWaalsContact O-N 3.11Å
98	N	58.8	Low	71.8	Confident	72 Å²	72	66.7 Å²	66.7	39%	0.385	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-2.1	179	-63.1	-24.3	0	0	0	114.9	Y11 N96	Y11-N98 HydrophobicContact CD1-CB 4.45Å; Y11-N98 WeakPolarHBondContact CD2-ND2 3.42Å; Y11-N98 HydrophobicContact CG-CB 4.31Å; N96-N98 PolarHBondContact O-N 3.45Å
99	G	65.9	Low	71.7	Confident	51 Å²	51	71 Å²	71	53%	0.526	41%	0.412	S	S	.	.	S	Bend	trans	80	21	176.8	0	0	0	0	0	115.9	N96	N96-G99 PolarHBondContact O-N 2.85Å
100	A	78	Confident	71.4	Confident	8 Å²	8	77.5 Å²	77.5	7%	0.066	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-103	145.9	176.9	0	0	0	0	0	111.6	Y11 V14 N96	Y11-A100 HydrophobicContact CD1-CB 4.34Å; V14-A100 HydrophobicContact CG1-CB 3.8Å; N96-A100 PolarHBondContact ND2-O 3.21Å
101	P	85.8	Confident	71.8	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.071	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-58.6	160.3	179.3	-30.2	40.4	0	0	0	115.5	Y18 D71 I73 N96	Y18-P101 HydrophobicContact CD1-CG 4.18Å; Y18-P101 HydrophobicContact CE1-CG 3.59Å; Y18-P101 HydrophobicContact CE2-CG 4.09Å; D71-P101 WeakPolarHBondContact O-CB 3.41Å; I73-P101 HydrophobicContact CD1-CB 4.38Å; I73-P101 HydrophobicContact CG1-CB 4.18Å; N96-P101 PolarHBondContact ND2-O 3.14Å; N96-P101 VanDerWaalsContact ND2-O 3.12Å
102	A	87.5	Confident	72.7	Confident	59 Å²	59	83.2 Å²	83.2	49%	0.488	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137.6	179.6	0	0	0	0	0	111.7	K72 I73	K72-A102 CarbonylContact C-O 3.58Å; K72-A102 WeakPolarHBondContact CA-O 3.49Å; I73-A102 PolarHBondContact N-O 3.2Å
103	I	91.3	Very high	74.2	Confident	23 Å²	23	77.7 Å²	77.7	12%	0.118	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.5	-177	-54.5	176.4	0	0	0	110	Y10 I73 F75 I88 L105	Y10-I103 HydrophobicContact CE1-CD1 3.72Å; Y10-I103 VanDerWaalsContact OH-CD1 3.22Å; Y10-I103 WeakPolarHBondContact OH-CD1 3.46Å; I73-I103 HydrophobicContact CB-CG1 4.29Å; I73-I103 HydrophobicContact CD1-CG1 4.34Å; I73-I103 CarbonylContact O-C 3.49Å; I73-I103 WeakPolarHBondContact O-CA 3.43Å; F75-I103 HydrophobicContact CD2-CG2 3.87Å; F75-I103 HydrophobicContact CE2-CG2 3.97Å; I88-I103 HydrophobicContact CB-CD1 4.25Å; I88-I103 HydrophobicContact CD1-CD1 3.96Å; I88-I103 HydrophobicContact CG1-CD1 4.1Å; I103-L105 HydrophobicContact CG2-CD2 3.79Å; I103-L105 HydrophobicContact CG2-CG 4.41Å
104	T	93.5	Very high	76.1	Confident	64 Å²	64	76.5 Å²	76.5	39%	0.393	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.4	171.7	-57.5	0	0	0	0	109.6	I73 I74 F75 L106	I73-T104 PolarHBondContact O-N 2.89Å; I74-T104 WeakPolarHBondContact CA-O 3.39Å; F75-T104 PolarHBondContact N-O 2.87Å; T104-L106 HydrophobicContact CG2-CD2 4.35Å
105	L	94.4	Very high	78.4	Confident	37 Å²	37	74.2 Å²	74.2	19%	0.194	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.5	178.7	-56.8	179.1	0	0	0	110.2	F75 V82 L85 K86 A89 I103	F75-L105 HydrophobicContact CB-CD2 3.91Å; F75-L105 HydrophobicContact CD2-CD2 3.86Å; F75-L105 HydrophobicContact CG-CD2 4.34Å; F75-L105 WeakPolarHBondContact O-CA 3.42Å; V82-L105 HydrophobicContact CG1-CB 4.01Å; V82-L105 HydrophobicContact CG1-CD1 4.18Å; L85-L105 HydrophobicContact CB-CD1 4.14Å; L85-L105 HydrophobicContact CB-CD2 3.91Å; L85-L105 HydrophobicContact CD1-CD2 4.41Å; K86-L105 HydrophobicContact CB-CD1 4.41Å; K86-L105 HydrophobicContact CG-CD1 3.81Å; A89-L105 HydrophobicContact CB-CD1 3.74Å; A89-L105 HydrophobicContact CB-CG 4.11Å; I103-L105 HydrophobicContact CG2-CD2 3.79Å; I103-L105 HydrophobicContact CG2-CG 4.41Å
106	L	95.2	Very high	80.6	Confident	20 Å²	20	69.3 Å²	69.3	11%	0.105	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.7	175.1	-58.9	-179.7	0	0	0	109.8	I74 F75 M76 A77 V82 T104 K120 M121	I74-L106 HydrophobicContact CG2-CD1 3.7Å; I74-L106 HydrophobicContact CG2-CG 3.92Å; F75-L106 PolarHBondContact O-N 3.43Å; M76-L106 WeakPolarHBondContact CA-O 3.27Å; M76-L106 HydrophobicContact CB-CB 4.13Å; M76-L106 HydrophobicContact CG-CB 4.26Å; A77-L106 PolarHBondContact N-O 3.39Å; V82-L106 WeakPolarHBondContact CG2-O 3.02Å; T104-L106 HydrophobicContact CG2-CD2 4.35Å; L106-K120 HydrophobicContact CD2-CD 4.47Å; L106-M121 HydrophobicContact CD1-CE 4.35Å; L106-M121 HydrophobicContact CD1-CG 4.05Å
107	I	93.2	Very high	82.6	Confident	69 Å²	69	69.7 Å²	69.7	35%	0.354	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.4	175.3	-60.8	173.8	0	0	0	108.2	K79 V82	K79-I107 HydrophobicContact CB-CG2 4.22Å; V82-I107 HydrophobicContact CB-CG1 4.4Å; V82-I107 HydrophobicContact CG1-CG1 4.17Å; V82-I107 HydrophobicContact CG2-CG1 4.16Å
108	R	90.8	Very high	84.7	Confident	42 Å²	42	64.9 Å²	64.9	16%	0.158	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-77.8	122.9	166.1	176.5	-170.9	164.4	-171.6	-6.8	109.4	D63 M76 A77 F146	D63-R108 IonicContact OD1-NH1 2.71Å; D63-R108 PolarHBondContact OD1-NH1 3.32Å; D63-R108 IonicContact OD2-CZ 3.61Å; D63-R108 IonicContact OD2-NH1 2.62Å; D63-R108 PolarHBondContact OD2-NH1 3.39Å; D63-R108 IonicContact OD2-NH2 3.6Å; M76-R108 HydrophobicContact CE-CB 3.94Å; M76-R108 HydrophobicContact CE-CG 4.23Å; M76-R108 HydrophobicContact CG-CB 4.25Å; A77-R108 PolarHBondContact O-N 3Å; R108-F146 VanDerWaalsContact CD-CE2 3.48Å; R108-F146 HydrophobicContact CG-CD2 4.14Å; R108-F146 HydrophobicContact CG-CE2 3.71Å; R108-F146 HydrophobicContact CG-CZ 4.13Å; R108-F146 VanDerWaalsContact CZ-CG 3.4Å
109	E	84.5	Confident	86.4	Confident	89 Å²	89	64.8 Å²	64.8	42%	0.416	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-90.1	129.2	172.9	-63.4	-62.8	159.9	0	0	109.4	E112 N114	E109-E112 HydrophobicContact CB-CB 3.94Å; E109-N114 PolarHBondContact N-OD1 2.85Å; E109-N114 PolarHBondContact O-ND2 2.8Å; E109-N114 PolarHBondContact O-OD1 3.46Å
110	K	75.4	Confident	87.8	Confident	167 Å²	167	67.5 Å²	67.5	73%	0.726	36%	0.358	S	S	*	.	S	Bend	trans	-77.5	-32	-177.8	-79	-169.7	176.1	-171	0	113.2
111	N	73.8	Confident	88.7	Confident	162 Å²	162	67.1 Å²	67.1	87%	0.866	35%	0.354	S	S	*	.	S	Bend	trans	-113.6	2.5	-170.1	-61.2	-11.5	0	0	0	113.3
112	E	72.7	Confident	89.2	Confident	139 Å²	139	66.9 Å²	66.9	65%	0.65	35%	0.352	S	S	*	.	S	Bend	trans	-121.3	161.4	-179.8	-63.6	-174.8	174	0	0	110.4	E109 N114	E109-E112 HydrophobicContact CB-CB 3.94Å; E112-N114 PolarHBondContact O-N 2.84Å; E112-N114 VanDerWaalsContact O-N 3.16Å
113	S	80.8	Confident	89.6	Confident	101 Å²	101	69.5 Å²	69.5	71%	0.706	36%	0.355	S	S	*	.			trans	-66.7	115.7	175.5	-171.9	0	0	0	0	110.1	K115	S113-K115 PolarHBondContact O-N 2.86Å; S113-K115 WeakPolarHBondContact OG-CB 3.23Å
114	N	88.1	Confident	89.8	Confident	21 Å²	21	68.5 Å²	68.5	11%	0.112	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	6.7	174.2	-76	-64.9	0	0	0	113.7	M76 E109 E112 S116 S117 F118	M76-N114 HydrophobicContact CE-CB 3.73Å; M76-N114 WeakPolarHBondContact CE-OD1 3.04Å; E109-N114 PolarHBondContact N-OD1 2.85Å; E109-N114 PolarHBondContact O-ND2 2.8Å; E109-N114 PolarHBondContact O-OD1 3.46Å; E112-N114 PolarHBondContact O-N 2.84Å; E112-N114 VanDerWaalsContact O-N 3.16Å; N114-S116 PolarHBondContact O-N 2.69Å; N114-S117 PolarHBondContact O-N 2.94Å; N114-S117 VanDerWaalsContact O-N 3.13Å; N114-F118 HydrophobicContact CB-CD2 4.38Å; N114-F118 HydrophobicContact CB-CE1 4.1Å; N114-F118 HydrophobicContact CB-CE2 3.86Å; N114-F118 HydrophobicContact CB-CZ 3.72Å; N114-F118 WeakPolarHBondContact O-CG 3.26Å; N114-F118 PolarHBondContact O-N 3.49Å
115	K	89.3	Confident	90	Very high	130 Å²	130	65.5 Å²	65.5	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-56.2	-45.1	-172.7	-172.5	177.8	-180	-174.5	0	113.2	S113 S117 F118 D119	S113-K115 PolarHBondContact O-N 2.86Å; S113-K115 WeakPolarHBondContact OG-CB 3.23Å; K115-S117 VanDerWaalsContact C-N 3.31Å; K115-S117 PolarHBondContact O-N 3.09Å; K115-F118 WeakPolarHBondContact O-CB 3.31Å; K115-F118 PolarHBondContact O-N 3.13Å; K115-F118 VanDerWaalsContact O-N 3.15Å; K115-D119 PolarHBondContact O-N 3.15Å
116	S	91.4	Very high	90.1	Very high	74 Å²	74	68.6 Å²	68.6	52%	0.517	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-37.8	179.2	179.2	0	0	0	0	112.9	N114 K120	N114-S116 PolarHBondContact O-N 2.69Å; S116-K120 WeakPolarHBondContact O-CG 3.5Å; S116-K120 PolarHBondContact O-N 2.99Å
117	S	93.4	Very high	90.1	Very high	22 Å²	22	72.9 Å²	72.9	15%	0.154	36%	0.363	C	S	.	.	H	α-helix	trans	-70.3	-37.7	175.8	-66	0	0	0	0	111.7	N114 K115 M121	N114-S117 PolarHBondContact O-N 2.94Å; N114-S117 VanDerWaalsContact O-N 3.13Å; K115-S117 VanDerWaalsContact C-N 3.31Å; K115-S117 PolarHBondContact O-N 3.09Å; S117-M121 WeakPolarHBondContact O-CG 3.45Å; S117-M121 PolarHBondContact O-N 3.03Å
118	F	95.2	Very high	90.2	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-46.4	173.2	-62.4	-23.6	0	0	0	111.6	I65 M76 N114 K115 K120 M121 I122 F146 W150 C153	I65-F118 HydrophobicContact CD1-CD1 4.45Å; I65-F118 HydrophobicContact CD1-CE1 3.78Å; M76-F118 HydrophobicContact CE-CD1 4.41Å; M76-F118 HydrophobicContact CE-CE1 4.02Å; M76-F118 HydrophobicContact SD-CD1 3.85Å; M76-F118 HydrophobicContact SD-CE1 3.65Å; N114-F118 HydrophobicContact CB-CD2 4.38Å; N114-F118 HydrophobicContact CB-CE1 4.1Å; N114-F118 HydrophobicContact CB-CE2 3.86Å; N114-F118 HydrophobicContact CB-CZ 3.72Å; N114-F118 WeakPolarHBondContact O-CG 3.26Å; N114-F118 PolarHBondContact O-N 3.49Å; K115-F118 WeakPolarHBondContact O-CB 3.31Å; K115-F118 PolarHBondContact O-N 3.13Å; K115-F118 VanDerWaalsContact O-N 3.15Å; F118-K120 VanDerWaalsContact C-N 3.29Å; F118-K120 PolarHBondContact O-N 3.35Å; F118-M121 WeakPolarHBondContact O-CB 3.44Å; F118-M121 PolarHBondContact O-N 3.37Å; F118-I122 VanDerWaalsContact O-CG1 3.31Å; F118-I122 WeakPolarHBondContact O-CG1 3.36Å; F118-I122 PolarHBondContact O-N 2.89Å; F118-F146 AromaticContact CE1-CE2 3.82Å; F118-F146 HydrophobicContact CE1-CE2 3.82Å; F118-F146 HydrophobicContact CE1-CZ 4.31Å; F118-F146 HydrophobicContact CZ-CD2 4.12Å; F118-F146 AromaticContact CZ-CE2 3.71Å; F118-F146 HydrophobicContact CZ-CE2 3.71Å; F118-W150 HydrophobicContact CB-CE3 4.13Å; F118-W150 HydrophobicContact CB-CZ3 4.06Å; F118-W150 HydrophobicContact CD1-CD2 4.47Å; F118-W150 AromaticContact CD1-CE3 3.47Å; F118-W150 HydrophobicContact CD1-CE3 3.47Å; F118-W150 VanDerWaalsContact CD1-CE3 3.47Å; F118-W150 AromaticContact CD1-CZ3 3.95Å; F118-W150 HydrophobicContact CD1-CZ3 3.95Å; F118-W150 HydrophobicContact CD2-CE3 4.47Å; F118-W150 HydrophobicContact CE1-CB 4.18Å; F118-W150 AromaticContact CE1-CE3 3.9Å; F118-W150 HydrophobicContact CE1-CE3 3.9Å; F118-W150 AromaticContact CG-CE3 3.79Å; F118-W150 HydrophobicContact CG-CE3 3.79Å; F118-W150 HydrophobicContact CG-CZ3 4.2Å; F118-W150 HydrophobicContact CZ-CB 3.99Å; F118-C153 HydrophobicContact CD2-CB 4.35Å
119	D	94.7	Very high	90.3	Very high	70 Å²	70	72 Å²	72	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-57.2	-43.2	178.6	-65.7	-24.3	0	0	0	111	K115 M121 I122 E123	K115-D119 PolarHBondContact O-N 3.15Å; D119-M121 VanDerWaalsContact C-N 3.35Å; D119-M121 PolarHBondContact O-N 3.4Å; D119-I122 PolarHBondContact O-N 2.88Å; D119-E123 WeakPolarHBondContact O-CB 3.45Å; D119-E123 PolarHBondContact O-N 3.23Å
120	K	95.2	Very high	90.7	Very high	107 Å²	107	74 Å²	74	47%	0.465	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-40	174.1	-73.2	175	-177.1	177.7	0	113.3	L106 S116 F118 A124	L106-K120 HydrophobicContact CD2-CD 4.47Å; S116-K120 WeakPolarHBondContact O-CG 3.5Å; S116-K120 PolarHBondContact O-N 2.99Å; F118-K120 VanDerWaalsContact C-N 3.29Å; F118-K120 PolarHBondContact O-N 3.35Å; K120-A124 WeakPolarHBondContact O-CB 3.36Å; K120-A124 PolarHBondContact O-N 3.05Å; K120-A124 VanDerWaalsContact O-N 3.09Å
121	M	96.3	Very high	91.5	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-41.7	176.9	-74.8	-178.6	147.8	0	0	111.6	I65 V67 I74 M76 L106 S117 F118 D119 A124 I125 W150	I65-M121 HydrophobicContact CB-CE 4.26Å; I65-M121 HydrophobicContact CB-SD 4.36Å; I65-M121 HydrophobicContact CG2-CE 4.09Å; I65-M121 HydrophobicContact CG2-SD 3.91Å; V67-M121 HydrophobicContact CG2-CB 4.28Å; V67-M121 HydrophobicContact CG2-CE 4.3Å; V67-M121 HydrophobicContact CG2-CG 4.33Å; V67-M121 HydrophobicContact CG2-SD 4.24Å; I74-M121 HydrophobicContact CB-CE 4.22Å; I74-M121 HydrophobicContact CG2-CE 3.65Å; I74-M121 HydrophobicContact CG2-CG 4.01Å; M76-M121 HydrophobicContact CB-CE 3.26Å; M76-M121 HydrophobicContact CB-SD 4.01Å; M76-M121 HydrophobicContact SD-SD 4.32Å; L106-M121 HydrophobicContact CD1-CE 4.35Å; L106-M121 HydrophobicContact CD1-CG 4.05Å; S117-M121 WeakPolarHBondContact O-CG 3.45Å; S117-M121 PolarHBondContact O-N 3.03Å; F118-M121 WeakPolarHBondContact O-CB 3.44Å; F118-M121 PolarHBondContact O-N 3.37Å; D119-M121 VanDerWaalsContact C-N 3.35Å; D119-M121 PolarHBondContact O-N 3.4Å; M121-A124 PolarHBondContact O-N 3.21Å; M121-I125 VanDerWaalsContact O-CG1 3.31Å; M121-I125 WeakPolarHBondContact O-CG1 3.1Å; M121-I125 PolarHBondContact O-N 2.74Å; M121-W150 HydrophobicContact CB-CH2 3.96Å; M121-W150 HydrophobicContact CB-CZ3 4.15Å; M121-W150 HydrophobicContact SD-CH2 4.33Å; M121-W150 HydrophobicContact SD-CZ3 4.34Å
122	I	96.7	Very high	92.5	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-43.5	176.8	-65.5	-62.4	0	0	0	111	F118 D119 A124 I125 K126 W150 L154 E157 F159	F118-I122 VanDerWaalsContact O-CG1 3.31Å; F118-I122 WeakPolarHBondContact O-CG1 3.36Å; F118-I122 PolarHBondContact O-N 2.89Å; D119-I122 PolarHBondContact O-N 2.88Å; I122-A124 VanDerWaalsContact C-N 3.35Å; I122-A124 PolarHBondContact O-N 2.99Å; I122-I125 HydrophobicContact CD1-CD1 4.46Å; I122-I125 WeakPolarHBondContact O-CB 3.38Å; I122-I125 PolarHBondContact O-N 2.99Å; I122-K126 HydrophobicContact CG2-CD 4.3Å; I122-K126 WeakPolarHBondContact O-CG 3.48Å; I122-K126 PolarHBondContact O-N 2.85Å; I122-W150 HydrophobicContact CD1-CH2 4.01Å; I122-W150 HydrophobicContact CD1-CZ3 4.18Å; I122-W150 HydrophobicContact CG1-CZ3 4.39Å; I122-L154 HydrophobicContact CD1-CD1 3.64Å; I122-E157 HydrophobicContact CD1-CG 4.16Å; I122-E157 HydrophobicContact CG1-CG 4.43Å; I122-E157 HydrophobicContact CG2-CG 3.64Å; I122-F159 HydrophobicContact CD1-CE2 4.02Å; I122-F159 HydrophobicContact CG2-CE2 4.38Å; I122-F159 HydrophobicContact CG2-CZ 4.26Å
123	E	96.2	Very high	93.6	Very high	114 Å²	114	62.3 Å²	62.3	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-47.4	175.1	-174.2	174.5	-156.2	0	0	110.9	D119 I125 K126 E127	D119-E123 WeakPolarHBondContact O-CB 3.45Å; D119-E123 PolarHBondContact O-N 3.23Å; E123-I125 VanDerWaalsContact C-N 3.3Å; E123-I125 PolarHBondContact O-N 3.3Å; E123-K126 PolarHBondContact O-N 2.82Å; E123-K126 VanDerWaalsContact O-N 3.11Å; E123-E127 WeakPolarHBondContact O-CG 3.32Å; E123-E127 PolarHBondContact O-N 2.84Å
124	A	96.2	Very high	94.4	Very high	3 Å²	3	57.5 Å²	57.5	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-34.8	176.3	0	0	0	0	0	113.6	C69 K72 I74 K120 M121 I122 S128	C69-A124 PolarHBondContact SG-O 2.93Å; K72-A124 HydrophobicContact CD-CB 4.15Å; I74-A124 HydrophobicContact CD1-CB 3.34Å; K120-A124 WeakPolarHBondContact O-CB 3.36Å; K120-A124 PolarHBondContact O-N 3.05Å; K120-A124 VanDerWaalsContact O-N 3.09Å; M121-A124 PolarHBondContact O-N 3.21Å; I122-A124 VanDerWaalsContact C-N 3.35Å; I122-A124 PolarHBondContact O-N 2.99Å; A124-S128 PolarHBondContact O-N 2.94Å
125	I	96.7	Very high	94.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-45.6	173.5	-70	165	0	0	0	110.2	A33 V35 V67 M121 I122 E123 E127 S128 G131 I134 L154 F159	A33-I125 HydrophobicContact CB-CB 4.47Å; A33-I125 HydrophobicContact CB-CG1 4.22Å; A33-I125 HydrophobicContact CB-CG2 4.14Å; V35-I125 HydrophobicContact CG2-CD1 3.68Å; V35-I125 HydrophobicContact CG2-CG1 4.4Å; V67-I125 HydrophobicContact CG1-CD1 4.04Å; V67-I125 HydrophobicContact CG1-CG1 3.54Å; V67-I125 HydrophobicContact CG2-CD1 4.37Å; M121-I125 VanDerWaalsContact O-CG1 3.31Å; M121-I125 WeakPolarHBondContact O-CG1 3.1Å; M121-I125 PolarHBondContact O-N 2.74Å; I122-I125 HydrophobicContact CD1-CD1 4.46Å; I122-I125 WeakPolarHBondContact O-CB 3.38Å; I122-I125 PolarHBondContact O-N 2.99Å; E123-I125 VanDerWaalsContact C-N 3.3Å; E123-I125 PolarHBondContact O-N 3.3Å; I125-E127 VanDerWaalsContact C-N 3.29Å; I125-E127 PolarHBondContact O-N 3.11Å; I125-S128 WeakPolarHBondContact O-CB 3.39Å; I125-S128 PolarHBondContact O-N 2.98Å; I125-S128 VanDerWaalsContact O-N 3.16Å; I125-G131 WeakPolarHBondContact O-CA 3.48Å; I125-I134 HydrophobicContact CG2-CG2 3.54Å; I125-L154 HydrophobicContact CD1-CD1 4.3Å; I125-F159 HydrophobicContact CB-CZ 4.28Å; I125-F159 HydrophobicContact CG2-CD1 4.25Å; I125-F159 HydrophobicContact CG2-CE1 3.73Å; I125-F159 HydrophobicContact CG2-CE2 4.15Å; I125-F159 HydrophobicContact CG2-CZ 3.66Å
126	K	96	Very high	95.1	Very high	102 Å²	102	51.2 Å²	51.2	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-31.7	179.5	-70.7	175.8	179.1	176.8	0	113	I122 E123 S128 G131 E157 F159	I122-K126 HydrophobicContact CG2-CD 4.3Å; I122-K126 WeakPolarHBondContact O-CG 3.48Å; I122-K126 PolarHBondContact O-N 2.85Å; E123-K126 PolarHBondContact O-N 2.82Å; E123-K126 VanDerWaalsContact O-N 3.11Å; K126-S128 VanDerWaalsContact C-N 3.34Å; K126-G131 WeakPolarHBondContact O-CA 3.49Å; K126-E157 WeakPolarHBondContact CE-OE2 3.41Å; K126-E157 IonicContact NZ-OE2 2.73Å; K126-E157 PolarHBondContact NZ-OE2 3.27Å; K126-F159 HydrophobicContact CG-CE1 3.93Å; K126-F159 HydrophobicContact CG-CZ 3.82Å
127	E	95.7	Very high	95.3	Very high	111 Å²	111	48.3 Å²	48.3	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-77.5	-18.3	175.6	-70.3	178	164	0	0	113.4	K72 E123 I125 K129	K72-E127 IonicContact NZ-OE2 2.74Å; K72-E127 PolarHBondContact NZ-OE2 3.15Å; E123-E127 WeakPolarHBondContact O-CG 3.32Å; E123-E127 PolarHBondContact O-N 2.84Å; I125-E127 VanDerWaalsContact C-N 3.29Å; I125-E127 PolarHBondContact O-N 3.11Å; E127-K129 PolarHBondContact O-N 3.11Å
128	S	94.8	Very high	95.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	24%	0.244	C	C	.	.	S	Bend	trans	-80.2	118.7	-177.3	-168.3	0	0	0	0	111.1	D32 C69 D70 A124 I125 K126 N130 G131	D32-S128 WeakPolarHBondContact CB-O 3.36Å; D32-S128 WeakPolarHBondContact O-CB 3.47Å; D32-S128 PolarHBondContact O-OG 3.31Å; C69-S128 WeakPolarHBondContact CA-OG 3.03Å; C69-S128 WeakPolarHBondContact CB-OG 3.49Å; D70-S128 PolarHBondContact N-OG 2.77Å; A124-S128 PolarHBondContact O-N 2.94Å; I125-S128 WeakPolarHBondContact O-CB 3.39Å; I125-S128 PolarHBondContact O-N 2.98Å; I125-S128 VanDerWaalsContact O-N 3.16Å; K126-S128 VanDerWaalsContact C-N 3.34Å; S128-N130 PolarHBondContact O-N 3.03Å; S128-G131 WeakPolarHBondContact O-CA 3.38Å; S128-G131 PolarHBondContact O-N 3.11Å
129	K	92.7	Very high	94.9	Very high	92 Å²	92	58.6 Å²	58.6	40%	0.4	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	-119.3	-179	-54.9	-169.1	-165.2	164.1	0	112.1	V31 D32 D70 E127	V31-K129 PolarHBondContact O-NZ 3.2Å; D32-K129 HydrophobicContact CB-CB 4.11Å; D32-K129 WeakPolarHBondContact OD1-CB 3.41Å; D70-K129 HydrophobicContact CB-CG 4.1Å; E127-K129 PolarHBondContact O-N 3.11Å
130	N	92.9	Very high	94.8	Very high	129 Å²	129	56.9 Å²	56.9	69%	0.69	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.1	177.3	-54.4	-62.4	0	0	0	113.3	D32 S128 K132	D32-N130 WeakPolarHBondContact OD1-CB 3.4Å; D32-N130 PolarHBondContact OD1-N 3.31Å; D32-N130 VanDerWaalsContact OD1-N 3.14Å; D32-N130 PolarHBondContact OD1-ND2 3.2Å; S128-N130 PolarHBondContact O-N 3.03Å; N130-K132 VanDerWaalsContact C-N 3.27Å; N130-K132 PolarHBondContact O-N 3.44Å
131	G	93.3	Very high	94.5	Very high	10 Å²	10	59.8 Å²	59.8	10%	0.103	28%	0.284	C	S	.	.	S	Bend	trans	63	23.8	176	0	0	0	0	0	115.7	D32 I125 K126 S128 F159	D32-G131 PolarHBondContact OD2-N 3.1Å; I125-G131 WeakPolarHBondContact O-CA 3.48Å; K126-G131 WeakPolarHBondContact O-CA 3.49Å; S128-G131 WeakPolarHBondContact O-CA 3.38Å; S128-G131 PolarHBondContact O-N 3.11Å; G131-F159 VanDerWaalsContact O-CE1 3.3Å; G131-F159 WeakPolarHBondContact O-CE1 3.29Å
132	K	94.1	Very high	94.2	Very high	143 Å²	143	60.7 Å²	60.7	62%	0.622	29%	0.288	S	S	*	.	S	Bend	trans	-115.2	-36.2	-175.5	-72.3	-177.3	-177	-177.3	0	113.7	D32 N130 F159 D160	D32-K132 PolarHBondContact OD2-N 3.26Å; N130-K132 VanDerWaalsContact C-N 3.27Å; N130-K132 PolarHBondContact O-N 3.44Å; K132-F159 WeakPolarHBondContact O-CA 3.41Å; K132-D160 PolarHBondContact O-N 3.18Å
133	K	96.3	Very high	93.8	Very high	71 Å²	71	63.7 Å²	63.7	31%	0.309	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123	-169.8	-61.4	-177.7	175.9	-175.3	0	111.1	N30 D32 A33 D160 I162	N30-K133 HydrophobicContact CB-CD 4.04Å; N30-K133 WeakPolarHBondContact O-CB 3.25Å; N30-K133 WeakPolarHBondContact O-CD 3.45Å; N30-K133 PolarHBondContact OD1-NZ 3.21Å; D32-K133 WeakPolarHBondContact CA-O 3.35Å; D32-K133 VanDerWaalsContact CB-O 3.26Å; D32-K133 WeakPolarHBondContact CB-O 3.32Å; D32-K133 PolarHBondContact N-O 2.75Å; D32-K133 PolarHBondContact OD2-N 3.37Å; A33-K133 PolarHBondContact N-O 3.46Å; K133-D160 CarbonylContact C-O 3.6Å; K133-D160 VanDerWaalsContact CA-O 3.31Å; K133-D160 WeakPolarHBondContact CA-O 3.41Å; K133-D160 HydrophobicContact CB-CB 4.48Å; K133-D160 HydrophobicContact CG-CB 3.95Å; K133-I162 HydrophobicContact CB-CD1 4.04Å; K133-I162 HydrophobicContact CD-CD1 4.17Å
134	I	96.9	Very high	93.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.3	-178.8	61.2	174.6	0	0	0	112	A33 V35 I125 V136 L154 F159 D160 K161 I162	A33-I134 HydrophobicContact CB-CG2 4.47Å; A33-I134 CarbonylContact O-C 3.56Å; A33-I134 VanDerWaalsContact O-CA 3.27Å; A33-I134 WeakPolarHBondContact O-CA 3.42Å; V35-I134 HydrophobicContact CG2-CB 4.33Å; V35-I134 HydrophobicContact CG2-CD1 4.35Å; V35-I134 HydrophobicContact CG2-CG2 4.42Å; I125-I134 HydrophobicContact CG2-CG2 3.54Å; I134-V136 HydrophobicContact CD1-CG1 4.04Å; I134-V136 HydrophobicContact CG1-CG1 4.06Å; I134-L154 HydrophobicContact CD1-CD1 3.97Å; I134-L154 HydrophobicContact CD1-CD2 4Å; I134-L154 HydrophobicContact CD1-CG 4.16Å; I134-F159 HydrophobicContact CD1-CB 3.89Å; I134-F159 HydrophobicContact CD1-CD2 4.3Å; I134-F159 HydrophobicContact CD1-CG 4.37Å; I134-F159 HydrophobicContact CG1-CB 3.91Å; I134-F159 HydrophobicContact CG2-CB 4.21Å; I134-F159 HydrophobicContact CG2-CD1 4.41Å; I134-F159 HydrophobicContact CG2-CG 4.19Å; I134-D160 PolarHBondContact N-O 3.28Å; I134-K161 HydrophobicContact CD1-CG 4.11Å; I134-K161 HydrophobicContact CG1-CG 4Å; I134-K161 WeakPolarHBondContact O-CA 3.42Å; I134-I162 PolarHBondContact O-N 3.07Å
135	G	96.8	Very high	93	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.7	170.4	0	0	0	0	0	109.9	A33 V35 I162	A33-G135 PolarHBondContact O-N 2.97Å; V35-G135 PolarHBondContact N-O 3.43Å; G135-I162 CarbonylContact C-O 3.53Å; G135-I162 WeakPolarHBondContact CA-O 3.45Å
136	V	96.4	Very high	92.7	Very high	18 Å²	18	69.6 Å²	69.6	11%	0.109	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	166.8	-179	-61.9	0	0	0	0	110.8	V35 I134 K161 I162 D163 I164	V35-V136 HydrophobicContact CB-CG1 4.38Å; I134-V136 HydrophobicContact CD1-CG1 4.04Å; I134-V136 HydrophobicContact CG1-CG1 4.06Å; V136-K161 HydrophobicContact CG1-CG 4.5Å; V136-K161 HydrophobicContact CG2-CB 3.86Å; V136-K161 HydrophobicContact CG2-CD 4.41Å; V136-K161 HydrophobicContact CG2-CG 4.37Å; V136-I162 PolarHBondContact N-O 3.4Å; V136-D163 WeakPolarHBondContact O-CA 3.45Å; V136-I164 PolarHBondContact O-N 2.96Å
137	F	95	Very high	92.5	Very high	13 Å²	13	64.8 Å²	64.8	6%	0.057	33%	0.327	C	S	.	.			trans	-99.8	97.9	168.4	-57.7	-55	0	0	0	109.3	V36 K48 L52 K139 D140 I164 S165 V168	V36-F137 HydrophobicContact CB-CE2 4.25Å; V36-F137 HydrophobicContact CG1-CD2 4.13Å; V36-F137 HydrophobicContact CG1-CE2 3.75Å; V36-F137 HydrophobicContact CG2-CD2 4.39Å; V36-F137 HydrophobicContact CG2-CE2 3.66Å; V36-F137 HydrophobicContact CG2-CZ 4.37Å; K48-F137 HydrophobicContact CB-CB 4.47Å; K48-F137 HydrophobicContact CB-CD1 3.93Å; K48-F137 HydrophobicContact CB-CD2 4.45Å; K48-F137 HydrophobicContact CB-CE1 4.26Å; K48-F137 HydrophobicContact CB-CG 4.03Å; K48-F137 HydrophobicContact CD-CE1 4.4Å; K48-F137 HydrophobicContact CG-CD1 3.43Å; K48-F137 VanDerWaalsContact CG-CD1 3.43Å; K48-F137 HydrophobicContact CG-CD2 4.39Å; K48-F137 HydrophobicContact CG-CE1 3.31Å; K48-F137 HydrophobicContact CG-CE2 4.28Å; K48-F137 HydrophobicContact CG-CG 3.99Å; K48-F137 HydrophobicContact CG-CZ 3.77Å; L52-F137 HydrophobicContact CD2-CE2 4.07Å; L52-F137 HydrophobicContact CD2-CZ 3.94Å; F137-K139 PolarHBondContact O-N 2.83Å; F137-K139 VanDerWaalsContact O-N 3.15Å; F137-D140 HydrophobicContact CB-CB 3.98Å; F137-D140 PolarHBondContact O-N 2.94Å; F137-D140 VanDerWaalsContact O-N 3.11Å; F137-I164 HydrophobicContact CD1-CG1 4.18Å; F137-I164 HydrophobicContact CE1-CD1 4.22Å; F137-I164 HydrophobicContact CE1-CG1 3.82Å; F137-I164 HydrophobicContact CZ-CD1 4.42Å; F137-I164 HydrophobicContact CZ-CG1 4.49Å; F137-S165 WeakPolarHBondContact CD1-OG 3.07Å; F137-V168 HydrophobicContact CE1-CB 3.92Å; F137-V168 HydrophobicContact CE1-CG1 4.16Å; F137-V168 HydrophobicContact CE1-CG2 3.8Å; F137-V168 HydrophobicContact CZ-CB 4.22Å; F137-V168 HydrophobicContact CZ-CG1 4.01Å; F137-V168 HydrophobicContact CZ-CG2 3.98Å
138	S	91.3	Very high	92.3	Very high	60 Å²	60	66.1 Å²	66.1	42%	0.42	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.1	-166.5	-65.1	0	0	0	0	115	D163	S138-D163 WeakPolarHBondContact OG-CB 3.39Å
139	K	89.9	Confident	92.1	Very high	181 Å²	181	68.9 Å²	68.9	79%	0.787	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-18	178.8	-68.1	-175.4	179.6	178.4	0	113.4	F137 K141	F137-K139 PolarHBondContact O-N 2.83Å; F137-K139 VanDerWaalsContact O-N 3.15Å; K139-K141 PolarHBondContact O-N 2.62Å
140	D	90.5	Very high	92.2	Very high	34 Å²	34	64.5 Å²	64.5	18%	0.182	33%	0.332	C	S	.	.			trans	-82	102.4	-175.2	-68.6	19.4	0	0	0	108.8	K48 S49 F137 F142	K48-D140 PolarHBondContact N-OD2 3.39Å; K48-D140 VanDerWaalsContact N-OD2 3.11Å; S49-D140 WeakPolarHBondContact CB-OD2 3.46Å; S49-D140 PolarHBondContact N-OD2 3.11Å; S49-D140 PolarHBondContact OG-OD2 3.33Å; F137-D140 HydrophobicContact CB-CB 3.98Å; F137-D140 PolarHBondContact O-N 2.94Å; F137-D140 VanDerWaalsContact O-N 3.11Å; D140-F142 HydrophobicContact CB-CE2 4.12Å
141	K	88.9	Confident	92.2	Very high	168 Å²	168	60.8 Å²	60.8	73%	0.73	31%	0.311	S	S	*	.			trans	-124.9	110.2	179.5	-65	-176.7	-176.8	179	0	108.6	K139	K139-K141 PolarHBondContact O-N 2.62Å
142	F	90.7	Very high	92.2	Very high	18 Å²	18	64 Å²	64	8%	0.079	33%	0.326	C	S	.	.			trans	-103	139.3	177.4	-61.1	-86.4	0	0	0	110.9	S37 V38 G39 D41 I44 A47 S49 D140 M147	S37-F142 WeakPolarHBondContact O-CE2 3.42Å; V38-F142 HydrophobicContact CB-CE2 4.5Å; V38-F142 HydrophobicContact CG1-CE1 4.33Å; V38-F142 HydrophobicContact CG1-CE2 4.44Å; V38-F142 HydrophobicContact CG1-CZ 4.05Å; G39-F142 VanDerWaalsContact N-CG 3.25Å; D41-F142 HydrophobicContact CB-CD1 4.12Å; I44-F142 HydrophobicContact CD1-CD1 3.9Å; I44-F142 HydrophobicContact CD1-CE1 3.99Å; I44-F142 HydrophobicContact CG2-CE1 4.28Å; A47-F142 HydrophobicContact CB-CZ 3.95Å; S49-F142 WeakPolarHBondContact OG-CE2 3.13Å; D140-F142 HydrophobicContact CB-CE2 4.12Å; F142-M147 HydrophobicContact CB-CE 4.04Å; F142-M147 HydrophobicContact CB-CG 4.22Å; F142-M147 HydrophobicContact CD2-CE 3.96Å; F142-M147 HydrophobicContact CG-CE 4.35Å
143	P	87.7	Confident	92.1	Very high	69 Å²	69	58 Å²	58	45%	0.448	30%	0.303	S	S	.	.			trans	-73.2	-178.2	173.6	32.9	-34.7	0	0	0	111.5	D41	D41-P143 HydrophobicContact CB-CG 4.22Å; D41-P143 WeakPolarHBondContact OD2-CD 3.44Å
144	G	87	Confident	91.9	Very high	49 Å²	49	55 Å²	55	51%	0.505	29%	0.289	S	S	.	.	S	Bend	trans	101.9	149.7	173.3	0	0	0	0	0	114.7	F146 M147 K148	G144-F146 VanDerWaalsContact C-N 3.31Å; G144-F146 PolarHBondContact O-N 3.41Å; G144-M147 PolarHBondContact O-N 2.97Å; G144-K148 WeakPolarHBondContact O-CB 3.16Å; G144-K148 PolarHBondContact O-N 2.94Å
145	E	88.7	Confident	91.7	Very high	179 Å²	179	59.1 Å²	59.1	84%	0.836	31%	0.312	S	S	*	.	H	α-helix	trans	-60.8	-37.4	-175	-64.9	-174.2	159	0	0	113.1	K148 S149	E145-K148 PolarHBondContact O-N 2.86Å; E145-S149 VanDerWaalsContact O-CB 3.3Å; E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.34Å
146	F	90.7	Very high	91.6	Very high	14 Å²	14	67.3 Å²	67.3	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-49.4	179	176	-115.4	0	0	0	111.8	D63 I65 M76 R108 F118 G144 S149 W150	D63-F146 WeakPolarHBondContact O-CE1 3.14Å; I65-F146 HydrophobicContact CD1-CE1 3.96Å; I65-F146 HydrophobicContact CD1-CE2 4.33Å; I65-F146 HydrophobicContact CD1-CZ 3.54Å; I65-F146 HydrophobicContact CG1-CE1 4.14Å; I65-F146 HydrophobicContact CG1-CZ 4.12Å; M76-F146 HydrophobicContact CE-CE2 4.15Å; M76-F146 HydrophobicContact SD-CE2 4.47Å; M76-F146 HydrophobicContact SD-CZ 4.39Å; R108-F146 VanDerWaalsContact CD-CE2 3.48Å; R108-F146 HydrophobicContact CG-CD2 4.14Å; R108-F146 HydrophobicContact CG-CE2 3.71Å; R108-F146 HydrophobicContact CG-CZ 4.13Å; R108-F146 VanDerWaalsContact CZ-CG 3.4Å; F118-F146 AromaticContact CE1-CE2 3.82Å; F118-F146 HydrophobicContact CE1-CE2 3.82Å; F118-F146 HydrophobicContact CE1-CZ 4.31Å; F118-F146 HydrophobicContact CZ-CD2 4.12Å; F118-F146 AromaticContact CZ-CE2 3.71Å; F118-F146 HydrophobicContact CZ-CE2 3.71Å; G144-F146 VanDerWaalsContact C-N 3.31Å; G144-F146 PolarHBondContact O-N 3.41Å; F146-S149 PolarHBondContact O-N 3.19Å; F146-W150 PolarHBondContact O-N 3.34Å
147	M	91.8	Very high	91.4	Very high	1 Å²	1	70 Å²	70	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-67.6	-39.2	178.7	-63	-60.5	-82.6	0	0	111.4	S37 V38 F142 G144 W150 N151	S37-M147 VanDerWaalsContact C-CE 3.45Å; S37-M147 WeakPolarHBondContact O-CE 3.36Å; V38-M147 VanDerWaalsContact C-CE 3.46Å; F142-M147 HydrophobicContact CB-CE 4.04Å; F142-M147 HydrophobicContact CB-CG 4.22Å; F142-M147 HydrophobicContact CD2-CE 3.96Å; F142-M147 HydrophobicContact CG-CE 4.35Å; G144-M147 PolarHBondContact O-N 2.97Å; M147-W150 PolarHBondContact O-N 3.47Å; M147-N151 VanDerWaalsContact O-CB 3.3Å; M147-N151 WeakPolarHBondContact O-CB 3.25Å; M147-N151 VanDerWaalsContact O-CG 3.25Å; M147-N151 PolarHBondContact O-N 3.09Å; M147-N151 PolarHBondContact O-ND2 2.96Å
148	K	91.4	Very high	91.2	Very high	138 Å²	138	72.2 Å²	72.2	60%	0.6	39%	0.385	S	S	*	.	H	α-helix	trans	-58.5	-49.9	172.5	-174.9	-179.7	178.5	-177.6	0	111.3	G144 E145 W150 N151 D152	G144-K148 WeakPolarHBondContact O-CB 3.16Å; G144-K148 PolarHBondContact O-N 2.94Å; E145-K148 PolarHBondContact O-N 2.86Å; K148-W150 VanDerWaalsContact C-N 3.33Å; K148-W150 PolarHBondContact O-N 3.12Å; K148-N151 PolarHBondContact O-N 3.47Å; K148-D152 WeakPolarHBondContact O-CB 3.37Å; K148-D152 PolarHBondContact O-N 3.39Å
149	S	92.1	Very high	91.4	Very high	60 Å²	60	70.4 Å²	70.4	42%	0.42	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-39	179.4	-174.3	0	0	0	0	112.6	E145 F146 C153	E145-S149 VanDerWaalsContact O-CB 3.3Å; E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.34Å; F146-S149 PolarHBondContact O-N 3.19Å; S149-C153 WeakPolarHBondContact O-CB 3.45Å; S149-C153 PolarHBondContact O-N 3.41Å; S149-C153 VanDerWaalsContact O-N 3.15Å
150	W	93.8	Very high	91.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-49.3	174.4	169.3	-117.4	0	0	0	111.7	V35 I65 F118 M121 I122 F146 M147 K148 D152 C153 L154	V35-W150 HydrophobicContact CG1-CZ2 3.87Å; I65-W150 HydrophobicContact CD1-CB 3.8Å; I65-W150 HydrophobicContact CD1-CD2 3.59Å; I65-W150 HydrophobicContact CD1-CE3 4.06Å; I65-W150 HydrophobicContact CD1-CG 3.45Å; I65-W150 VanDerWaalsContact CD1-CG 3.45Å; I65-W150 HydrophobicContact CG1-CD2 4.43Å; I65-W150 HydrophobicContact CG1-CG 4.2Å; I65-W150 HydrophobicContact CG2-CD2 4.42Å; I65-W150 HydrophobicContact CG2-CH2 4.49Å; I65-W150 HydrophobicContact CG2-CZ2 3.88Å; F118-W150 HydrophobicContact CB-CE3 4.13Å; F118-W150 HydrophobicContact CB-CZ3 4.06Å; F118-W150 HydrophobicContact CD1-CD2 4.47Å; F118-W150 AromaticContact CD1-CE3 3.47Å; F118-W150 HydrophobicContact CD1-CE3 3.47Å; F118-W150 VanDerWaalsContact CD1-CE3 3.47Å; F118-W150 AromaticContact CD1-CZ3 3.95Å; F118-W150 HydrophobicContact CD1-CZ3 3.95Å; F118-W150 HydrophobicContact CD2-CE3 4.47Å; F118-W150 HydrophobicContact CE1-CB 4.18Å; F118-W150 AromaticContact CE1-CE3 3.9Å; F118-W150 HydrophobicContact CE1-CE3 3.9Å; F118-W150 AromaticContact CG-CE3 3.79Å; F118-W150 HydrophobicContact CG-CE3 3.79Å; F118-W150 HydrophobicContact CG-CZ3 4.2Å; F118-W150 HydrophobicContact CZ-CB 3.99Å; M121-W150 HydrophobicContact CB-CH2 3.96Å; M121-W150 HydrophobicContact CB-CZ3 4.15Å; M121-W150 HydrophobicContact SD-CH2 4.33Å; M121-W150 HydrophobicContact SD-CZ3 4.34Å; I122-W150 HydrophobicContact CD1-CH2 4.01Å; I122-W150 HydrophobicContact CD1-CZ3 4.18Å; I122-W150 HydrophobicContact CG1-CZ3 4.39Å; F146-W150 PolarHBondContact O-N 3.34Å; M147-W150 PolarHBondContact O-N 3.47Å; K148-W150 VanDerWaalsContact C-N 3.33Å; K148-W150 PolarHBondContact O-N 3.12Å; W150-D152 VanDerWaalsContact C-N 3.33Å; W150-D152 PolarHBondContact O-N 2.84Å; W150-C153 WeakPolarHBondContact O-CB 3.38Å; W150-C153 PolarHBondContact O-N 3.29Å; W150-C153 VanDerWaalsContact O-N 3.11Å; W150-L154 HydrophobicContact CH2-CD1 4.34Å; W150-L154 HydrophobicContact CZ2-CD1 4.1Å; W150-L154 HydrophobicContact CZ2-CD2 4.33Å; W150-L154 WeakPolarHBondContact O-CB 3.33Å; W150-L154 PolarHBondContact O-N 3.45Å
151	N	92.8	Very high	91.9	Very high	50 Å²	50	69.5 Å²	69.5	27%	0.267	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-40.3	179.7	-75.6	-41.3	0	0	0	112	M147 K148 C153 L154 N155	M147-N151 VanDerWaalsContact O-CB 3.3Å; M147-N151 WeakPolarHBondContact O-CB 3.25Å; M147-N151 VanDerWaalsContact O-CG 3.25Å; M147-N151 PolarHBondContact O-N 3.09Å; M147-N151 PolarHBondContact O-ND2 2.96Å; K148-N151 PolarHBondContact O-N 3.47Å; N151-C153 VanDerWaalsContact C-N 3.31Å; N151-C153 PolarHBondContact O-N 2.93Å; N151-L154 PolarHBondContact O-N 2.65Å; N151-N155 VanDerWaalsContact O-CB 3.23Å; N151-N155 WeakPolarHBondContact O-CB 3.23Å; N151-N155 PolarHBondContact O-N 3.38Å; N151-N155 PolarHBondContact O-ND2 2.96Å; N151-N155 VanDerWaalsContact O-ND2 3.12Å
152	D	93	Very high	92.3	Very high	77 Å²	77	63.1 Å²	63.1	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-38.6	174.7	-71.5	-16.3	0	0	0	111.5	K148 W150 K156	K148-D152 WeakPolarHBondContact O-CB 3.37Å; K148-D152 PolarHBondContact O-N 3.39Å; W150-D152 VanDerWaalsContact C-N 3.33Å; W150-D152 PolarHBondContact O-N 2.84Å; D152-K156 WeakPolarHBondContact O-CD 3.45Å; D152-K156 VanDerWaalsContact O-CG 3.24Å; D152-K156 WeakPolarHBondContact O-CG 2.98Å; D152-K156 PolarHBondContact O-N 3.2Å
153	C	92.4	Very high	92.5	Very high	19 Å²	19	65.2 Å²	65.2	13%	0.128	35%	0.354	C	S	.	.	H	α-helix	trans	-66.3	-48.9	174.7	-162.1	0	0	0	0	111.1	F118 S149 W150 N151 N155 K156	F118-C153 HydrophobicContact CD2-CB 4.35Å; S149-C153 WeakPolarHBondContact O-CB 3.45Å; S149-C153 PolarHBondContact O-N 3.41Å; S149-C153 VanDerWaalsContact O-N 3.15Å; W150-C153 WeakPolarHBondContact O-CB 3.38Å; W150-C153 PolarHBondContact O-N 3.29Å; W150-C153 VanDerWaalsContact O-N 3.11Å; N151-C153 VanDerWaalsContact C-N 3.31Å; N151-C153 PolarHBondContact O-N 2.93Å; C153-N155 PolarHBondContact O-N 3.46Å; C153-K156 PolarHBondContact O-N 3.02Å
154	L	93.1	Very high	92.9	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-38.2	-178.9	-170.8	67.2	0	0	0	112.4	V35 I122 I125 I134 W150 N151 E157 F159	V35-L154 HydrophobicContact CG1-CD2 4.35Å; I122-L154 HydrophobicContact CD1-CD1 3.64Å; I125-L154 HydrophobicContact CD1-CD1 4.3Å; I134-L154 HydrophobicContact CD1-CD1 3.97Å; I134-L154 HydrophobicContact CD1-CD2 4Å; I134-L154 HydrophobicContact CD1-CG 4.16Å; W150-L154 HydrophobicContact CH2-CD1 4.34Å; W150-L154 HydrophobicContact CZ2-CD1 4.1Å; W150-L154 HydrophobicContact CZ2-CD2 4.33Å; W150-L154 WeakPolarHBondContact O-CB 3.33Å; W150-L154 PolarHBondContact O-N 3.45Å; N151-L154 PolarHBondContact O-N 2.65Å; L154-E157 PolarHBondContact O-N 3.49Å; L154-F159 HydrophobicContact CD1-CD2 3.91Å; L154-F159 HydrophobicContact CD1-CE2 4.08Å
155	N	92.7	Very high	93.2	Very high	87 Å²	87	60.4 Å²	60.4	47%	0.465	32%	0.315	S	S	.	.	H	α-helix	trans	-70.6	-30	179.9	-71	-22.6	0	0	0	113	N151 C153 E157 G158 K161	N151-N155 VanDerWaalsContact O-CB 3.23Å; N151-N155 WeakPolarHBondContact O-CB 3.23Å; N151-N155 PolarHBondContact O-N 3.38Å; N151-N155 PolarHBondContact O-ND2 2.96Å; N151-N155 VanDerWaalsContact O-ND2 3.12Å; C153-N155 PolarHBondContact O-N 3.46Å; N155-E157 PolarHBondContact O-N 2.98Å; N155-G158 PolarHBondContact O-N 2.63Å; N155-K161 PolarHBondContact OD1-NZ 3.01Å
156	K	93.5	Very high	93.5	Very high	173 Å²	173	52.8 Å²	52.8	75%	0.752	28%	0.282	S	S	*	.	H	α-helix	trans	-65.1	-26.6	177.4	-78	168.6	-173.4	175.8	0	113.2	D152 C153	D152-K156 WeakPolarHBondContact O-CD 3.45Å; D152-K156 VanDerWaalsContact O-CG 3.24Å; D152-K156 WeakPolarHBondContact O-CG 2.98Å; D152-K156 PolarHBondContact O-N 3.2Å; C153-K156 PolarHBondContact O-N 3.02Å
157	E	92.7	Very high	93.6	Very high	75 Å²	75	52.6 Å²	52.6	35%	0.35	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.6	-178.2	-61.3	-60.8	147.6	0	0	113.4	I122 K126 L154 N155 F159	I122-E157 HydrophobicContact CD1-CG 4.16Å; I122-E157 HydrophobicContact CG1-CG 4.43Å; I122-E157 HydrophobicContact CG2-CG 3.64Å; K126-E157 WeakPolarHBondContact CE-OE2 3.41Å; K126-E157 IonicContact NZ-OE2 2.73Å; K126-E157 PolarHBondContact NZ-OE2 3.27Å; L154-E157 PolarHBondContact O-N 3.49Å; N155-E157 PolarHBondContact O-N 2.98Å; E157-F159 HydrophobicContact CB-CD2 3.76Å; E157-F159 HydrophobicContact CB-CE2 3.39Å; E157-F159 HydrophobicContact CB-CZ 3.97Å; E157-F159 HydrophobicContact CG-CE2 4Å
158	G	91.3	Very high	93.8	Very high	59 Å²	59	52.6 Å²	52.6	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	28.3	173.1	0	0	0	0	0	115.5	N155	N155-G158 PolarHBondContact O-N 2.63Å
159	F	95.4	Very high	93.9	Very high	22 Å²	22	46 Å²	46	10%	0.096	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-63.9	142.9	174.4	-60	-69.8	0	0	0	112.4	I122 I125 K126 G131 K132 I134 L154 E157 K161	I122-F159 HydrophobicContact CD1-CE2 4.02Å; I122-F159 HydrophobicContact CG2-CE2 4.38Å; I122-F159 HydrophobicContact CG2-CZ 4.26Å; I125-F159 HydrophobicContact CB-CZ 4.28Å; I125-F159 HydrophobicContact CG2-CD1 4.25Å; I125-F159 HydrophobicContact CG2-CE1 3.73Å; I125-F159 HydrophobicContact CG2-CE2 4.15Å; I125-F159 HydrophobicContact CG2-CZ 3.66Å; K126-F159 HydrophobicContact CG-CE1 3.93Å; K126-F159 HydrophobicContact CG-CZ 3.82Å; G131-F159 VanDerWaalsContact O-CE1 3.3Å; G131-F159 WeakPolarHBondContact O-CE1 3.29Å; K132-F159 WeakPolarHBondContact O-CA 3.41Å; I134-F159 HydrophobicContact CD1-CB 3.89Å; I134-F159 HydrophobicContact CD1-CD2 4.3Å; I134-F159 HydrophobicContact CD1-CG 4.37Å; I134-F159 HydrophobicContact CG1-CB 3.91Å; I134-F159 HydrophobicContact CG2-CB 4.21Å; I134-F159 HydrophobicContact CG2-CD1 4.41Å; I134-F159 HydrophobicContact CG2-CG 4.19Å; L154-F159 HydrophobicContact CD1-CD2 3.91Å; L154-F159 HydrophobicContact CD1-CE2 4.08Å; E157-F159 HydrophobicContact CB-CD2 3.76Å; E157-F159 HydrophobicContact CB-CE2 3.39Å; E157-F159 HydrophobicContact CB-CZ 3.97Å; E157-F159 HydrophobicContact CG-CE2 4Å; F159-K161 PolarHBondContact O-N 2.84Å
160	D	95.8	Very high	94.1	Very high	96 Å²	96	45 Å²	45	51%	0.513	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.8	171.5	-72.1	-27.9	0	0	0	109.5	K132 K133 I134	K132-D160 PolarHBondContact O-N 3.18Å; K133-D160 CarbonylContact C-O 3.6Å; K133-D160 VanDerWaalsContact CA-O 3.31Å; K133-D160 WeakPolarHBondContact CA-O 3.41Å; K133-D160 HydrophobicContact CB-CB 4.48Å; K133-D160 HydrophobicContact CG-CB 3.95Å; I134-D160 PolarHBondContact N-O 3.28Å
161	K	95.2	Very high	94.1	Very high	99 Å²	99	45.2 Å²	45.2	43%	0.43	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126	-177.9	-64.3	-176.4	-173.2	-179.8	0	111.3	I134 V136 N155 F159	I134-K161 HydrophobicContact CD1-CG 4.11Å; I134-K161 HydrophobicContact CG1-CG 4Å; I134-K161 WeakPolarHBondContact O-CA 3.42Å; V136-K161 HydrophobicContact CG1-CG 4.5Å; V136-K161 HydrophobicContact CG2-CB 3.86Å; V136-K161 HydrophobicContact CG2-CD 4.41Å; V136-K161 HydrophobicContact CG2-CG 4.37Å; N155-K161 PolarHBondContact OD1-NZ 3.01Å; F159-K161 PolarHBondContact O-N 2.84Å
162	I	95.8	Very high	94.2	Very high	35 Å²	35	43.1 Å²	43.1	18%	0.179	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.9	176.3	-59.6	173.4	0	0	0	108.3	E27 N30 V31 K133 I134 G135 V136 I164	E27-I162 HydrophobicContact CB-CG2 4.12Å; N30-I162 HydrophobicContact CB-CD1 3.59Å; N30-I162 WeakPolarHBondContact O-CD1 3.39Å; V31-I162 HydrophobicContact CG2-CB 4.14Å; V31-I162 HydrophobicContact CG2-CD1 3.93Å; V31-I162 HydrophobicContact CG2-CG2 4.16Å; K133-I162 HydrophobicContact CB-CD1 4.04Å; K133-I162 HydrophobicContact CD-CD1 4.17Å; I134-I162 PolarHBondContact O-N 3.07Å; G135-I162 CarbonylContact C-O 3.53Å; G135-I162 WeakPolarHBondContact CA-O 3.45Å; V136-I162 PolarHBondContact N-O 3.4Å; I162-I164 HydrophobicContact CG2-CG2 4.41Å; I162-I164 PolarHBondContact O-N 3.48Å
163	D	95.2	Very high	94.3	Very high	61 Å²	61	39.7 Å²	39.7	33%	0.326	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	115.1	174.2	-168.4	-2.1	0	0	0	110.2	V136 S138 S165	V136-D163 WeakPolarHBondContact O-CA 3.45Å; S138-D163 WeakPolarHBondContact OG-CB 3.39Å; D163-S165 VanDerWaalsContact OD1-CB 3.23Å; D163-S165 WeakPolarHBondContact OD1-CB 3.28Å; D163-S165 PolarHBondContact OD1-N 2.87Å; D163-S165 PolarHBondContact OD1-OG 3.25Å
164	I	95.7	Very high	94.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.			trans	-102.8	9.9	179.3	61.4	166	0	0	0	112.6	V31 I34 V136 F137 I162 A166 V167 V168	V31-I164 HydrophobicContact CG2-CG2 3.81Å; I34-I164 HydrophobicContact CB-CD1 4.22Å; I34-I164 HydrophobicContact CD1-CD1 4.09Å; I34-I164 HydrophobicContact CG1-CD1 3.92Å; I34-I164 HydrophobicContact CG2-CD1 3.39Å; V136-I164 PolarHBondContact O-N 2.96Å; F137-I164 HydrophobicContact CD1-CG1 4.18Å; F137-I164 HydrophobicContact CE1-CD1 4.22Å; F137-I164 HydrophobicContact CE1-CG1 3.82Å; F137-I164 HydrophobicContact CZ-CD1 4.42Å; F137-I164 HydrophobicContact CZ-CG1 4.49Å; I162-I164 HydrophobicContact CG2-CG2 4.41Å; I162-I164 PolarHBondContact O-N 3.48Å; I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 3.3Å; I164-V167 HydrophobicContact CB-CG2 3.81Å; I164-V167 HydrophobicContact CG2-CG2 4.34Å; I164-V167 WeakPolarHBondContact O-CG2 3.22Å; I164-V167 PolarHBondContact O-N 3.21Å; I164-V168 HydrophobicContact CB-CG2 4.37Å; I164-V168 HydrophobicContact CD1-CG2 3.82Å; I164-V168 HydrophobicContact CG1-CG2 4.08Å; I164-V168 WeakPolarHBondContact O-CB 3.43Å; I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 2.84Å
165	S	94.8	Very high	94.7	Very high	18 Å²	18	40.4 Å²	40.4	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-54.1	-41.7	-175.6	-59.2	0	0	0	0	112.8	F137 D163 A169	F137-S165 WeakPolarHBondContact CD1-OG 3.07Å; D163-S165 VanDerWaalsContact OD1-CB 3.23Å; D163-S165 WeakPolarHBondContact OD1-CB 3.28Å; D163-S165 PolarHBondContact OD1-N 2.87Å; D163-S165 PolarHBondContact OD1-OG 3.25Å; S165-A169 WeakPolarHBondContact O-CB 3.36Å; S165-A169 PolarHBondContact O-N 2.98Å
166	A	93.5	Very high	94.8	Very high	19 Å²	19	38 Å²	38	16%	0.157	20%	0.202	C	C	.	.	H	α-helix	trans	-70	-46.8	-177.1	0	0	0	0	0	113.1	I164 V168 A169 Y170 S360	I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 3.3Å; A166-V168 VanDerWaalsContact C-N 3.35Å; A166-V168 PolarHBondContact O-N 3.48Å; A166-A169 WeakPolarHBondContact O-CB 3.12Å; A166-A169 PolarHBondContact O-N 3.09Å; A166-Y170 PolarHBondContact O-N 2.62Å; A166-S360 VanDerWaalsContact CA-OG 3.29Å; A166-S360 WeakPolarHBondContact CA-OG 3.33Å; A166-S360 WeakPolarHBondContact CB-OG 3.26Å
167	V	94.1	Very high	94.8	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-69.8	-32.7	179.2	-70.2	0	0	0	0	112.4	D26 E27 Y28 I164 T171	D26-V167 HydrophobicContact CB-CG1 4.07Å; E27-V167 HydrophobicContact CB-CG1 4.35Å; E27-V167 HydrophobicContact CB-CG2 4.38Å; E27-V167 WeakPolarHBondContact OE2-CG1 3.35Å; Y28-V167 HydrophobicContact CD1-CG2 4.01Å; Y28-V167 HydrophobicContact CD2-CB 3.81Å; Y28-V167 HydrophobicContact CD2-CG1 4.3Å; Y28-V167 HydrophobicContact CD2-CG2 3.89Å; Y28-V167 HydrophobicContact CE1-CG2 3.76Å; Y28-V167 HydrophobicContact CE2-CB 3.54Å; Y28-V167 HydrophobicContact CE2-CG1 4.47Å; Y28-V167 HydrophobicContact CE2-CG2 3.66Å; Y28-V167 HydrophobicContact CG-CB 4.43Å; Y28-V167 HydrophobicContact CG-CG2 4.06Å; I164-V167 HydrophobicContact CB-CG2 3.81Å; I164-V167 HydrophobicContact CG2-CG2 4.34Å; I164-V167 WeakPolarHBondContact O-CG2 3.22Å; I164-V167 PolarHBondContact O-N 3.21Å; V167-T171 VanDerWaalsContact O-CB 3.31Å; V167-T171 WeakPolarHBondContact O-CB 3.49Å; V167-T171 PolarHBondContact O-N 2.89Å; V167-T171 PolarHBondContact O-OG1 3.12Å
168	V	95	Very high	94.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-44.8	171.4	175.6	0	0	0	0	110.5	L17 Y28 K48 L52 F137 I164 A166 Y170 T171 I172	L17-V168 HydrophobicContact CD1-CG2 4.47Å; Y28-V168 WeakPolarHBondContact OH-CG2 3.38Å; K48-V168 HydrophobicContact CD-CG1 4.13Å; L52-V168 HydrophobicContact CD1-CG1 4.26Å; F137-V168 HydrophobicContact CE1-CB 3.92Å; F137-V168 HydrophobicContact CE1-CG1 4.16Å; F137-V168 HydrophobicContact CE1-CG2 3.8Å; F137-V168 HydrophobicContact CZ-CB 4.22Å; F137-V168 HydrophobicContact CZ-CG1 4.01Å; F137-V168 HydrophobicContact CZ-CG2 3.98Å; I164-V168 HydrophobicContact CB-CG2 4.37Å; I164-V168 HydrophobicContact CD1-CG2 3.82Å; I164-V168 HydrophobicContact CG1-CG2 4.08Å; I164-V168 WeakPolarHBondContact O-CB 3.43Å; I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 2.84Å; A166-V168 VanDerWaalsContact C-N 3.35Å; A166-V168 PolarHBondContact O-N 3.48Å; V168-Y170 VanDerWaalsContact C-N 3.31Å; V168-Y170 PolarHBondContact O-N 2.66Å; V168-T171 WeakPolarHBondContact O-CA 3.36Å; V168-T171 WeakPolarHBondContact O-CB 3.22Å; V168-T171 PolarHBondContact O-N 3.01Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 PolarHBondContact O-N 2.91Å
169	A	94.9	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-53.9	-49.1	174.5	0	0	0	0	0	111.2	S165 A166 T171 I172 A173 E358	S165-A169 WeakPolarHBondContact O-CB 3.36Å; S165-A169 PolarHBondContact O-N 2.98Å; A166-A169 WeakPolarHBondContact O-CB 3.12Å; A166-A169 PolarHBondContact O-N 3.09Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 3.35Å; A169-I172 PolarHBondContact O-N 2.78Å; A169-A173 WeakPolarHBondContact O-CB 3.35Å; A169-A173 PolarHBondContact O-N 3.44Å; A169-E358 WeakPolarHBondContact CB-OE2 3.28Å
170	Y	95	Very high	95.1	Very high	40 Å²	40	31.5 Å²	31.5	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-31	177.8	-164.4	-123.3	0	0	0	112.8	A166 V168 L361 Y369 K370 K372 M375	A166-Y170 PolarHBondContact O-N 2.62Å; V168-Y170 VanDerWaalsContact C-N 3.31Å; V168-Y170 PolarHBondContact O-N 2.66Å; Y170-L361 HydrophobicContact CD2-CD2 3.89Å; Y170-Y369 AromaticContact CD1-CD1 3.83Å; Y170-Y369 HydrophobicContact CD1-CD1 3.83Å; Y170-Y369 AromaticContact CD1-CE1 3.74Å; Y170-Y369 HydrophobicContact CD1-CE1 3.74Å; Y170-Y369 AromaticContact CD2-CD1 3.54Å; Y170-Y369 HydrophobicContact CD2-CD1 3.54Å; Y170-Y369 AromaticContact CD2-CE1 3.99Å; Y170-Y369 HydrophobicContact CD2-CE1 3.99Å; Y170-Y369 HydrophobicContact CD2-CG 4.06Å; Y170-Y369 AromaticContact CE1-CD1 3.86Å; Y170-Y369 HydrophobicContact CE1-CD1 3.86Å; Y170-Y369 HydrophobicContact CE1-CE1 4.18Å; Y170-Y369 AromaticContact CE2-CD1 3.57Å; Y170-Y369 HydrophobicContact CE2-CD1 3.57Å; Y170-Y369 HydrophobicContact CE2-CE1 4.39Å; Y170-Y369 HydrophobicContact CE2-CG 4.06Å; Y170-Y369 AromaticContact CG-CD1 3.67Å; Y170-Y369 HydrophobicContact CG-CD1 3.67Å; Y170-Y369 AromaticContact CG-CE1 3.64Å; Y170-Y369 HydrophobicContact CG-CE1 3.64Å; Y170-Y369 AromaticContact CZ-CD1 3.74Å; Y170-K370 WeakPolarHBondContact CE2-O 3.34Å; Y170-K370 PolarHBondContact OH-O 3.05Å; Y170-K372 WeakPolarHBondContact OH-CE 3.28Å; Y170-M375 HydrophobicContact CD2-CE 3.68Å; Y170-M375 HydrophobicContact CE2-CE 3.3Å
171	T	93.6	Very high	95.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-42.6	174.7	-64.9	0	0	0	0	111.9	R16 L17 N20 V167 V168 A169	R16-T171 HydrophobicContact CG-CG2 4.31Å; R16-T171 PolarHBondContact NE-O 3.34Å; R16-T171 VanDerWaalsContact NE-O 3.11Å; R16-T171 PolarHBondContact NH2-O 3.21Å; L17-T171 HydrophobicContact CD1-CG2 4.32Å; N20-T171 WeakPolarHBondContact ND2-CG2 3.24Å; N20-T171 PolarHBondContact ND2-OG1 2.99Å; V167-T171 VanDerWaalsContact O-CB 3.31Å; V167-T171 WeakPolarHBondContact O-CB 3.49Å; V167-T171 PolarHBondContact O-N 2.89Å; V167-T171 PolarHBondContact O-OG1 3.12Å; V168-T171 WeakPolarHBondContact O-CA 3.36Å; V168-T171 WeakPolarHBondContact O-CB 3.22Å; V168-T171 PolarHBondContact O-N 3.01Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 3.35Å
172	I	95.2	Very high	95.3	Very high	7 Å²	7	29 Å²	29	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-92.3	-0.2	-178.4	70.9	179	0	0	0	113.5	W55 V168 A169 V174 K175	W55-I172 HydrophobicContact CD2-CB 4.18Å; W55-I172 HydrophobicContact CD2-CG2 3.53Å; W55-I172 HydrophobicContact CE3-CG2 3.58Å; W55-I172 HydrophobicContact CG-CB 4.33Å; W55-I172 HydrophobicContact CG-CG2 4.04Å; W55-I172 HydrophobicContact CH2-CG2 4.08Å; W55-I172 HydrophobicContact CZ2-CG2 4.06Å; W55-I172 HydrophobicContact CZ3-CG2 3.85Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 PolarHBondContact O-N 2.91Å; A169-I172 PolarHBondContact O-N 2.78Å; I172-V174 PolarHBondContact O-N 3.27Å; I172-K175 PolarHBondContact O-NZ 3.42Å
173	A	96.4	Very high	95.4	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.033	16%	0.158	C	C	.	.			trans	-64	-39.9	-175.7	0	0	0	0	0	113.6	A169 K175 L361 M375	A169-A173 WeakPolarHBondContact O-CB 3.35Å; A169-A173 PolarHBondContact O-N 3.44Å; A173-K175 PolarHBondContact O-N 2.73Å; A173-K175 PolarHBondContact O-NZ 2.57Å; A173-L361 HydrophobicContact CB-CD1 3.66Å; A173-M375 HydrophobicContact CB-CE 3.59Å; A173-M375 HydrophobicContact CB-CG 3.99Å; A173-M375 HydrophobicContact CB-SD 4.25Å
174	V	96.1	Very high	95.5	Very high	28 Å²	28	29.1 Å²	29.1	17%	0.17	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-79.7	115	177.3	-178.6	0	0	0	0	109.8	R16 I172 K372 K373 M375	R16-V174 PolarHBondContact NH1-O 3.33Å; I172-V174 PolarHBondContact O-N 3.27Å; V174-K372 HydrophobicContact CG2-CB 3.57Å; V174-K372 HydrophobicContact CG2-CD 3.92Å; V174-K372 HydrophobicContact CG2-CG 4.39Å; V174-K373 WeakPolarHBondContact CG1-O 3.22Å; V174-M375 HydrophobicContact CG2-CE 4.2Å; V174-M375 HydrophobicContact CG2-CG 4.06Å
175	K	96.8	Very high	95.6	Very high	13 Å²	13	32.1 Å²	32.1	6%	0.057	18%	0.176	C	C	.	.			trans	-82	139.1	-177.6	-56.6	-60.4	178.5	-82.7	0	111.1	I172 A173 E179 L180 M183 Y282 M352 G353 G374 V376	I172-K175 PolarHBondContact O-NZ 3.42Å; A173-K175 PolarHBondContact O-N 2.73Å; A173-K175 PolarHBondContact O-NZ 2.57Å; K175-E179 HydrophobicContact CB-CB 4.03Å; K175-E179 HydrophobicContact CD-CB 4.2Å; K175-L180 HydrophobicContact CB-CD2 3.56Å; K175-L180 HydrophobicContact CB-CG 3.71Å; K175-L180 HydrophobicContact CG-CD2 4.14Å; K175-M183 HydrophobicContact CD-SD 4.12Å; K175-M183 HydrophobicContact CG-SD 4Å; K175-Y282 HydrophobicContact CD-CE1 4.31Å; K175-M352 WeakPolarHBondContact CE-O 3.4Å; K175-M352 PolarHBondContact NZ-O 2.68Å; K175-G353 VanDerWaalsContact CE-CA 3.43Å; K175-G374 WeakPolarHBondContact CB-O 3.39Å; K175-G374 WeakPolarHBondContact CG-O 3.41Å; K175-G374 PolarHBondContact N-O 2.92Å; K175-V376 HydrophobicContact CG-CG2 4.1Å
176	E	94.3	Very high	95.7	Very high	35 Å²	35	31.3 Å²	31.3	16%	0.164	17%	0.17	C	C	.	.			trans	-80.4	164.3	168.9	-59.2	179.9	172.6	0	0	111.2	R12 R13 G178 E179 L180	R12-E176 IonicContact CZ-OE1 3.61Å; R12-E176 IonicContact CZ-OE2 3.53Å; R12-E176 IonicContact NH1-OE1 3.71Å; R12-E176 PolarHBondContact NH1-OE1 2.8Å; R12-E176 IonicContact NH1-OE2 2.75Å; R12-E176 PolarHBondContact NH1-OE2 3.17Å; R12-E176 IonicContact NH2-OE1 3.95Å; R12-E176 IonicContact NH2-OE2 2.93Å; R12-E176 PolarHBondContact NH2-OE2 3.03Å; R13-E176 IonicContact NE-OE2 3.65Å; R13-E176 IonicContact NH2-OE2 2.93Å; E176-G178 VanDerWaalsContact C-N 3.25Å; E176-G178 PolarHBondContact O-N 3.14Å; E176-G178 VanDerWaalsContact O-N 3.16Å; E176-E179 HydrophobicContact CB-CG 4.33Å; E176-E179 PolarHBondContact N-OE2 2.93Å; E176-E179 WeakPolarHBondContact O-CA 3.25Å; E176-E179 WeakPolarHBondContact O-CB 3.23Å; E176-E179 PolarHBondContact O-N 2.89Å; E176-L180 PolarHBondContact O-N 2.72Å
177	D	94	Very high	95.9	Very high	127 Å²	127	30.4 Å²	30.4	68%	0.679	16%	0.163	S	C	*	.	H	α-helix	trans	-54.5	-39.8	-176.4	-65.1	-36.4	0	0	0	113.4	E179 L180 N181	D177-E179 VanDerWaalsContact C-N 3.33Å; D177-E179 PolarHBondContact O-N 3.07Å; D177-L180 PolarHBondContact O-N 2.79Å; D177-N181 WeakPolarHBondContact O-CB 3.47Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact O-ND2 2.91Å
178	G	93.6	Very high	96.1	Very high	47 Å²	47	32.3 Å²	32.3	49%	0.485	18%	0.177	S	C	.	.	H	α-helix	trans	-61.8	-40.1	175.2	0	0	0	0	0	112.8	E176 N181 L182	E176-G178 VanDerWaalsContact C-N 3.25Å; E176-G178 PolarHBondContact O-N 3.14Å; E176-G178 VanDerWaalsContact O-N 3.16Å; G178-N181 PolarHBondContact O-N 3.03Å; G178-L182 WeakPolarHBondContact O-CG 3.34Å; G178-L182 PolarHBondContact O-N 3.4Å
179	E	96.1	Very high	96.2	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-70.7	-42.6	177.3	-53.8	-177	74.2	0	0	111	R13 K175 E176 D177 N181 L182 M183 Y282	R13-E179 VanDerWaalsContact NH2-CD 3.34Å; R13-E179 VanDerWaalsContact NH2-CG 3.29Å; R13-E179 IonicContact NH2-OE1 3.28Å; R13-E179 IonicContact NH2-OE2 3.96Å; R13-E179 PolarHBondContact NH2-OE2 2.85Å; K175-E179 HydrophobicContact CB-CB 4.03Å; K175-E179 HydrophobicContact CD-CB 4.2Å; E176-E179 HydrophobicContact CB-CG 4.33Å; E176-E179 PolarHBondContact N-OE2 2.93Å; E176-E179 WeakPolarHBondContact O-CA 3.25Å; E176-E179 WeakPolarHBondContact O-CB 3.23Å; E176-E179 PolarHBondContact O-N 2.89Å; D177-E179 VanDerWaalsContact C-N 3.33Å; D177-E179 PolarHBondContact O-N 3.07Å; E179-N181 VanDerWaalsContact C-N 3.28Å; E179-N181 PolarHBondContact O-N 2.7Å; E179-L182 WeakPolarHBondContact O-CB 3.25Å; E179-L182 PolarHBondContact O-N 3.33Å; E179-L182 VanDerWaalsContact O-N 3.14Å; E179-M183 WeakPolarHBondContact O-CG 3.01Å; E179-M183 PolarHBondContact O-N 2.78Å; E179-Y282 HydrophobicContact CB-CD1 4.45Å; E179-Y282 HydrophobicContact CB-CE1 3.68Å; E179-Y282 VanDerWaalsContact CD-OH 3.26Å; E179-Y282 HydrophobicContact CG-CE1 4.02Å; E179-Y282 VanDerWaalsContact CG-OH 3.22Å; E179-Y282 WeakPolarHBondContact CG-OH 3.43Å; E179-Y282 WeakPolarHBondContact OE1-CE1 3.36Å; E179-Y282 PolarHBondContact OE1-OH 3.29Å
180	L	97.2	Very high	96.4	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-38	175.5	-70.9	176.7	0	0	0	111.7	K175 E176 D177 M183 K184 V376 L408	K175-L180 HydrophobicContact CB-CD2 3.56Å; K175-L180 HydrophobicContact CB-CG 3.71Å; K175-L180 HydrophobicContact CG-CD2 4.14Å; E176-L180 PolarHBondContact O-N 2.72Å; D177-L180 PolarHBondContact O-N 2.79Å; L180-M183 PolarHBondContact O-N 2.86Å; L180-K184 WeakPolarHBondContact O-CB 3.34Å; L180-K184 VanDerWaalsContact O-CG 3.26Å; L180-K184 WeakPolarHBondContact O-CG 3.26Å; L180-K184 PolarHBondContact O-N 3.03Å; L180-V376 HydrophobicContact CD2-CG2 3.8Å; L180-L408 HydrophobicContact CD1-CD1 4.44Å; L180-L408 HydrophobicContact CD2-CD1 3.63Å
181	N	97	Very high	96.5	Very high	98 Å²	98	31 Å²	31	52%	0.524	17%	0.174	S	C	.	.	H	α-helix	trans	-64.7	-38.7	175.4	-72.3	-23.8	0	0	0	112.3	D177 G178 E179 K185	D177-N181 WeakPolarHBondContact O-CB 3.47Å; D177-N181 PolarHBondContact O-N 3.02Å; D177-N181 PolarHBondContact O-ND2 2.91Å; G178-N181 PolarHBondContact O-N 3.03Å; E179-N181 VanDerWaalsContact C-N 3.28Å; E179-N181 PolarHBondContact O-N 2.7Å; N181-K185 WeakPolarHBondContact O-CB 3.44Å; N181-K185 PolarHBondContact O-N 3.23Å
182	L	96.6	Very high	96.6	Very high	44 Å²	44	33.4 Å²	33.4	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-43.7	173.9	-63.5	175.8	0	0	0	111.3	G178 E179 K185 A186 F279 K280 Y282	G178-L182 WeakPolarHBondContact O-CG 3.34Å; G178-L182 PolarHBondContact O-N 3.4Å; E179-L182 WeakPolarHBondContact O-CB 3.25Å; E179-L182 PolarHBondContact O-N 3.33Å; E179-L182 VanDerWaalsContact O-N 3.14Å; L182-K185 WeakPolarHBondContact O-CB 3.4Å; L182-K185 PolarHBondContact O-N 3.3Å; L182-A186 PolarHBondContact O-N 3.05Å; L182-F279 HydrophobicContact CD2-CD1 4.03Å; L182-F279 HydrophobicContact CD2-CE1 3.72Å; L182-K280 HydrophobicContact CD2-CB 4.31Å; L182-K280 HydrophobicContact CD2-CD 3.95Å; L182-Y282 HydrophobicContact CB-CD2 3.94Å; L182-Y282 HydrophobicContact CB-CG 4.08Å; L182-Y282 HydrophobicContact CD1-CD2 3.48Å; L182-Y282 VanDerWaalsContact CD1-CD2 3.48Å; L182-Y282 HydrophobicContact CD1-CE2 3.59Å; L182-Y282 HydrophobicContact CD1-CG 4.41Å; L182-Y282 HydrophobicContact CG-CD2 4.36Å
183	M	97.8	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-40.3	177.4	-67.8	-169.7	83.6	0	0	112.8	K175 E179 L180 K185 A186 A187 Y282 C283 M352 V376	K175-M183 HydrophobicContact CD-SD 4.12Å; K175-M183 HydrophobicContact CG-SD 4Å; E179-M183 WeakPolarHBondContact O-CG 3.01Å; E179-M183 PolarHBondContact O-N 2.78Å; L180-M183 PolarHBondContact O-N 2.86Å; M183-K185 VanDerWaalsContact C-N 3.28Å; M183-K185 PolarHBondContact O-N 2.81Å; M183-A186 WeakPolarHBondContact O-CB 3.42Å; M183-A186 PolarHBondContact O-N 3.35Å; M183-A187 WeakPolarHBondContact O-CB 3.46Å; M183-A187 PolarHBondContact O-N 2.9Å; M183-Y282 HydrophobicContact CG-CD1 3.75Å; M183-Y282 HydrophobicContact CG-CG 4.18Å; M183-Y282 HydrophobicContact SD-CD1 4.17Å; M183-C283 WeakPolarHBondContact CE-O 3.37Å; M183-M352 HydrophobicContact CE-CG 4.03Å; M183-M352 HydrophobicContact CE-SD 4.32Å; M183-V376 HydrophobicContact CE-CB 3.7Å; M183-V376 HydrophobicContact CE-CG1 3.41Å; M183-V376 VanDerWaalsContact CE-CG1 3.41Å; M183-V376 HydrophobicContact CE-CG2 4.16Å; M183-V376 HydrophobicContact SD-CB 3.92Å; M183-V376 HydrophobicContact SD-CG1 4.13Å; M183-V376 HydrophobicContact SD-CG2 3.75Å
184	K	97.6	Very high	96.8	Very high	99 Å²	99	33 Å²	33	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-40.2	172.5	-76.4	172.9	-179	179.1	0	111.3	L180 A187 S188 L418	L180-K184 WeakPolarHBondContact O-CB 3.34Å; L180-K184 VanDerWaalsContact O-CG 3.26Å; L180-K184 WeakPolarHBondContact O-CG 3.26Å; L180-K184 PolarHBondContact O-N 3.03Å; K184-A187 PolarHBondContact O-N 2.85Å; K184-S188 WeakPolarHBondContact O-CB 3.22Å; K184-S188 PolarHBondContact O-N 2.73Å; K184-L418 HydrophobicContact CG-CD1 4.36Å; K184-L418 HydrophobicContact CG-CD2 4.15Å
185	K	97.3	Very high	96.7	Very high	63 Å²	63	34.7 Å²	34.7	27%	0.274	19%	0.19	S	C	.	.	H	α-helix	trans	-66.1	-44.5	175.7	-171.9	60.7	176.9	179.9	0	111.6	N181 L182 M183 A187 S188 I189 A232 F279	N181-K185 WeakPolarHBondContact O-CB 3.44Å; N181-K185 PolarHBondContact O-N 3.23Å; L182-K185 WeakPolarHBondContact O-CB 3.4Å; L182-K185 PolarHBondContact O-N 3.3Å; M183-K185 VanDerWaalsContact C-N 3.28Å; M183-K185 PolarHBondContact O-N 2.81Å; K185-A187 VanDerWaalsContact C-N 3.34Å; K185-A187 PolarHBondContact O-N 3.32Å; K185-S188 PolarHBondContact O-N 2.96Å; K185-I189 HydrophobicContact CG-CD1 4.26Å; K185-I189 VanDerWaalsContact O-CG1 3.3Å; K185-I189 WeakPolarHBondContact O-CG1 3.39Å; K185-I189 PolarHBondContact O-N 3.47Å; K185-A232 PolarHBondContact NZ-O 2.75Å; K185-F279 HydrophobicContact CB-CD1 3.81Å; K185-F279 HydrophobicContact CB-CE1 3.89Å; K185-F279 HydrophobicContact CG-CD1 3.75Å; K185-F279 HydrophobicContact CG-CE1 3.57Å; K185-F279 HydrophobicContact CG-CE2 4.46Å; K185-F279 HydrophobicContact CG-CG 4.27Å; K185-F279 HydrophobicContact CG-CZ 3.95Å
186	A	98	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-46.9	174.4	0	0	0	0	0	111.6	L182 M183 S188 I189 T190 F279 S284	L182-A186 PolarHBondContact O-N 3.05Å; M183-A186 WeakPolarHBondContact O-CB 3.42Å; M183-A186 PolarHBondContact O-N 3.35Å; A186-S188 PolarHBondContact O-N 2.89Å; A186-I189 PolarHBondContact O-N 3Å; A186-T190 PolarHBondContact O-N 3.47Å; A186-T190 PolarHBondContact O-OG1 3.46Å; A186-T190 VanDerWaalsContact O-OG1 3.07Å; A186-F279 HydrophobicContact CB-CB 3.79Å; A186-S284 WeakPolarHBondContact CB-OG 3.48Å; A186-S284 PolarHBondContact O-OG 2.93Å
187	A	98.2	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-43.8	178.1	0	0	0	0	0	112	M183 K184 K185 I189 T190 S191 S284 L418 T419	M183-A187 WeakPolarHBondContact O-CB 3.46Å; M183-A187 PolarHBondContact O-N 2.9Å; K184-A187 PolarHBondContact O-N 2.85Å; K185-A187 VanDerWaalsContact C-N 3.34Å; K185-A187 PolarHBondContact O-N 3.32Å; A187-I189 VanDerWaalsContact C-N 3.35Å; A187-I189 PolarHBondContact O-N 3.03Å; A187-T190 WeakPolarHBondContact O-CB 3.14Å; A187-T190 PolarHBondContact O-N 3.41Å; A187-S191 PolarHBondContact O-N 3.24Å; A187-S191 PolarHBondContact O-OG 3.13Å; A187-S191 VanDerWaalsContact O-OG 3.13Å; A187-S284 PolarHBondContact N-OG 2.85Å; A187-L418 HydrophobicContact CB-CB 3.85Å; A187-T419 HydrophobicContact CB-CG2 3.7Å
188	S	97.2	Very high	96.9	Very high	49 Å²	49	32.9 Å²	32.9	34%	0.343	18%	0.176	S	C	.	.	H	α-helix	trans	-59.7	-42.4	175	169.6	0	0	0	0	112.4	K184 K185 A186 S191 E192	K184-S188 WeakPolarHBondContact O-CB 3.22Å; K184-S188 PolarHBondContact O-N 2.73Å; K185-S188 PolarHBondContact O-N 2.96Å; A186-S188 PolarHBondContact O-N 2.89Å; S188-S191 PolarHBondContact O-N 2.79Å; S188-E192 WeakPolarHBondContact O-CB 3.38Å; S188-E192 VanDerWaalsContact O-CG 3.26Å; S188-E192 WeakPolarHBondContact O-CG 3.44Å; S188-E192 PolarHBondContact O-N 2.86Å
189	I	97.6	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-43.9	176.1	-60.6	165.7	0	0	0	110.3	K185 A186 A187 S191 E192 V193 L231 A232 A234 V239 I277 F279	K185-I189 HydrophobicContact CG-CD1 4.26Å; K185-I189 VanDerWaalsContact O-CG1 3.3Å; K185-I189 WeakPolarHBondContact O-CG1 3.39Å; K185-I189 PolarHBondContact O-N 3.47Å; A186-I189 PolarHBondContact O-N 3Å; A187-I189 VanDerWaalsContact C-N 3.35Å; A187-I189 PolarHBondContact O-N 3.03Å; I189-S191 VanDerWaalsContact C-N 3.3Å; I189-S191 PolarHBondContact O-N 3.2Å; I189-E192 PolarHBondContact O-N 3.44Å; I189-V193 HydrophobicContact CG2-CG2 4.18Å; I189-V193 WeakPolarHBondContact O-CG2 3.31Å; I189-V193 PolarHBondContact O-N 2.81Å; I189-L231 HydrophobicContact CG2-CD2 3.86Å; I189-A232 HydrophobicContact CG1-CB 4.31Å; I189-A234 HydrophobicContact CD1-CB 3.72Å; I189-V239 HydrophobicContact CD1-CG2 3.93Å; I189-V239 HydrophobicContact CG2-CG1 4.37Å; I189-I277 HydrophobicContact CB-CG1 4.38Å; I189-I277 HydrophobicContact CB-CG2 4.14Å; I189-I277 HydrophobicContact CG2-CB 4.44Å; I189-I277 HydrophobicContact CG2-CD1 4.34Å; I189-I277 HydrophobicContact CG2-CG1 3.95Å; I189-I277 HydrophobicContact CG2-CG2 4.01Å; I189-F279 HydrophobicContact CD1-CB 4.49Å; I189-F279 HydrophobicContact CD1-CD2 4.06Å; I189-F279 HydrophobicContact CD1-CG 4.37Å
190	T	98.2	Very high	96.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-44.7	175.7	-59.2	0	0	0	0	111.6	A186 A187 F194 I277 S284 L286	A186-T190 PolarHBondContact O-N 3.47Å; A186-T190 PolarHBondContact O-OG1 3.46Å; A186-T190 VanDerWaalsContact O-OG1 3.07Å; A187-T190 WeakPolarHBondContact O-CB 3.14Å; A187-T190 PolarHBondContact O-N 3.41Å; T190-F194 WeakPolarHBondContact O-CB 3.42Å; T190-F194 PolarHBondContact O-N 3.29Å; T190-I277 VanDerWaalsContact OG1-CB 3.26Å; T190-I277 WeakPolarHBondContact OG1-CB 3.48Å; T190-I277 VanDerWaalsContact OG1-CG1 3.29Å; T190-I277 WeakPolarHBondContact OG1-CG1 3.41Å; T190-I277 PolarHBondContact OG1-N 2.79Å; T190-S284 PolarHBondContact OG1-OG 3.46Å; T190-L286 HydrophobicContact CG2-CB 3.47Å; T190-L286 VanDerWaalsContact CG2-CB 3.47Å; T190-L286 HydrophobicContact CG2-CD2 4.3Å
191	S	97.6	Very high	96.8	Very high	14 Å²	14	40 Å²	40	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-37.6	177.7	-62.2	0	0	0	0	113.1	A187 S188 I189 N195 V421	A187-S191 PolarHBondContact O-N 3.24Å; A187-S191 PolarHBondContact O-OG 3.13Å; A187-S191 VanDerWaalsContact O-OG 3.13Å; S188-S191 PolarHBondContact O-N 2.79Å; I189-S191 VanDerWaalsContact C-N 3.3Å; I189-S191 PolarHBondContact O-N 3.2Å; S191-N195 WeakPolarHBondContact O-CB 3.48Å; S191-N195 PolarHBondContact O-N 3.06Å; S191-N195 PolarHBondContact O-ND2 3.11Å; S191-V421 WeakPolarHBondContact OG-CG2 3.44Å
192	E	95.7	Very high	96.8	Very high	52 Å²	52	35.4 Å²	35.4	24%	0.243	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-45.7	177.1	-76.7	-87.7	149.4	0	0	112.1	S188 I189 F194 N195 K196 A232	S188-E192 WeakPolarHBondContact O-CB 3.38Å; S188-E192 VanDerWaalsContact O-CG 3.26Å; S188-E192 WeakPolarHBondContact O-CG 3.44Å; S188-E192 PolarHBondContact O-N 2.86Å; I189-E192 PolarHBondContact O-N 3.44Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.16Å; E192-N195 PolarHBondContact O-N 3.05Å; E192-K196 WeakPolarHBondContact O-CB 3.26Å; E192-K196 PolarHBondContact O-N 3.46Å; E192-K196 IonicContact OE1-NZ 3.6Å; E192-K196 PolarHBondContact OE1-NZ 3.08Å; E192-K196 WeakPolarHBondContact OE2-CD 3.34Å; E192-K196 WeakPolarHBondContact OE2-CE 3.29Å; E192-K196 IonicContact OE2-NZ 3.19Å; E192-K196 PolarHBondContact OE2-NZ 2.9Å; E192-A232 HydrophobicContact CG-CB 4.29Å
193	V	97.2	Very high	96.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-39	175.1	175.2	0	0	0	0	110.7	I189 F197 F198 V221 I225 M275	I189-V193 HydrophobicContact CG2-CG2 4.18Å; I189-V193 WeakPolarHBondContact O-CG2 3.31Å; I189-V193 PolarHBondContact O-N 2.81Å; V193-F197 WeakPolarHBondContact O-CB 3.38Å; V193-F197 PolarHBondContact O-N 3.36Å; V193-F198 PolarHBondContact O-N 3.49Å; V193-V221 HydrophobicContact CG1-CG1 4.02Å; V193-I225 HydrophobicContact CG1-CG2 4.44Å; V193-I225 HydrophobicContact CG2-CG2 3.91Å; V193-M275 HydrophobicContact CG1-SD 3.92Å
194	F	97.7	Very high	96.4	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.018	19%	0.191	C	C	.	.	I	π-helix	trans	-63.5	-56.2	174.1	-175.2	-87.5	0	0	0	112.1	T190 E192 F198 K199 M275 L286 R288 L290 V421	T190-F194 WeakPolarHBondContact O-CB 3.42Å; T190-F194 PolarHBondContact O-N 3.29Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.16Å; F194-F198 HydrophobicContact CD2-CD1 4.01Å; F194-F198 AromaticContact CE2-CD1 3.77Å; F194-F198 HydrophobicContact CE2-CD1 3.77Å; F194-F198 HydrophobicContact CE2-CE1 4.19Å; F194-F198 HydrophobicContact CZ-CD1 4.47Å; F194-F198 PolarHBondContact O-N 2.93Å; F194-K199 HydrophobicContact CE1-CB 4.33Å; F194-K199 WeakPolarHBondContact O-CB 3.43Å; F194-K199 PolarHBondContact O-N 3.46Å; F194-M275 VanDerWaalsContact CA-CE 3.5Å; F194-M275 HydrophobicContact CB-CE 3.65Å; F194-M275 HydrophobicContact CD2-CE 3.46Å; F194-M275 VanDerWaalsContact CD2-CE 3.46Å; F194-M275 HydrophobicContact CG-CE 3.98Å; F194-L286 HydrophobicContact CB-CD2 3.44Å; F194-L286 VanDerWaalsContact CB-CD2 3.44Å; F194-L286 HydrophobicContact CD1-CD2 4.22Å; F194-L286 HydrophobicContact CD2-CD2 3.69Å; F194-L286 HydrophobicContact CG-CD2 3.5Å; F194-L286 VanDerWaalsContact CG-CD2 3.5Å; F194-R288 HydrophobicContact CE1-CG 4.19Å; F194-R288 HydrophobicContact CE2-CB 3.64Å; F194-R288 HydrophobicContact CE2-CG 3.85Å; F194-R288 HydrophobicContact CZ-CB 3.56Å; F194-R288 HydrophobicContact CZ-CG 3.66Å; F194-L290 HydrophobicContact CZ-CD2 4.24Å; F194-V421 HydrophobicContact CD1-CG1 3.53Å; F194-V421 HydrophobicContact CE1-CG1 3.68Å; F194-V421 HydrophobicContact CG-CG1 4.44Å
195	N	95.2	Very high	96.1	Very high	63 Å²	63	35.8 Å²	35.8	34%	0.337	17%	0.17	S	C	.	.	I	π-helix	trans	-71.8	-44.3	-171.5	-76.3	-31.9	0	0	0	112.9	S191 E192 V421	S191-N195 WeakPolarHBondContact O-CB 3.48Å; S191-N195 PolarHBondContact O-N 3.06Å; S191-N195 PolarHBondContact O-ND2 3.11Å; E192-N195 PolarHBondContact O-N 3.05Å; N195-V421 WeakPolarHBondContact OD1-CG1 3.25Å
196	K	94.5	Very high	95.8	Very high	108 Å²	108	32.9 Å²	32.9	47%	0.47	16%	0.158	S	C	.	.	I	π-helix	trans	-92.6	-12.1	-170.8	-63.6	-171.4	179.3	165.3	0	114.4	E192 Y230	E192-K196 WeakPolarHBondContact O-CB 3.26Å; E192-K196 PolarHBondContact O-N 3.46Å; E192-K196 IonicContact OE1-NZ 3.6Å; E192-K196 PolarHBondContact OE1-NZ 3.08Å; E192-K196 WeakPolarHBondContact OE2-CD 3.34Å; E192-K196 WeakPolarHBondContact OE2-CE 3.29Å; E192-K196 IonicContact OE2-NZ 3.19Å; E192-K196 PolarHBondContact OE2-NZ 2.9Å; K196-Y230 HydrophobicContact CB-CD1 3.94Å; K196-Y230 HydrophobicContact CB-CE1 4.13Å; K196-Y230 WeakPolarHBondContact O-CE1 3.4Å
197	F	96.7	Very high	95.4	Very high	29 Å²	29	38.1 Å²	38.1	13%	0.127	19%	0.186	C	C	.	.	I	π-helix	trans	-124.5	-65	179.5	178.5	-95.5	0	0	0	111.4	V193 R201 S220 V221 A224 Y230	V193-F197 WeakPolarHBondContact O-CB 3.38Å; V193-F197 PolarHBondContact O-N 3.36Å; F197-R201 WeakPolarHBondContact O-CB 3.18Å; F197-R201 PolarHBondContact O-N 2.8Å; F197-S220 WeakPolarHBondContact CE1-O 3.33Å; F197-S220 VanDerWaalsContact CZ-O 3.26Å; F197-S220 WeakPolarHBondContact CZ-O 3.05Å; F197-V221 HydrophobicContact CD1-CB 4.5Å; F197-V221 HydrophobicContact CD1-CG2 4.02Å; F197-V221 VanDerWaalsContact CE1-CA 3.5Å; F197-V221 HydrophobicContact CE1-CB 4.16Å; F197-V221 HydrophobicContact CE1-CG2 3.69Å; F197-A224 HydrophobicContact CB-CB 4.31Å; F197-A224 HydrophobicContact CD1-CB 3.64Å; F197-A224 HydrophobicContact CD2-CB 3.76Å; F197-A224 HydrophobicContact CE1-CB 3.86Å; F197-A224 HydrophobicContact CE2-CB 3.94Å; F197-A224 HydrophobicContact CG-CB 3.59Å; F197-A224 HydrophobicContact CZ-CB 3.98Å; F197-Y230 HydrophobicContact CB-CD1 4.13Å; F197-Y230 HydrophobicContact CB-CE1 3.92Å; F197-Y230 HydrophobicContact CB-CE2 4.31Å; F197-Y230 HydrophobicContact CB-CG 4.44Å; F197-Y230 HydrophobicContact CD2-CE1 4.45Å; F197-Y230 AromaticContact CD2-CE2 3.81Å; F197-Y230 HydrophobicContact CD2-CE2 3.81Å; F197-Y230 AromaticContact CD2-CZ 3.68Å; F197-Y230 HydrophobicContact CG-CE2 4.35Å
198	F	97.2	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-64.9	-48.1	-171.3	178.6	-97.1	0	0	0	112.4	V193 F194 R201 V202 L217 V221 I247 C273 M275 L290	V193-F198 PolarHBondContact O-N 3.49Å; F194-F198 HydrophobicContact CD2-CD1 4.01Å; F194-F198 AromaticContact CE2-CD1 3.77Å; F194-F198 HydrophobicContact CE2-CD1 3.77Å; F194-F198 HydrophobicContact CE2-CE1 4.19Å; F194-F198 HydrophobicContact CZ-CD1 4.47Å; F194-F198 PolarHBondContact O-N 2.93Å; F198-R201 PolarHBondContact O-N 3.31Å; F198-V202 HydrophobicContact CD1-CG2 4.36Å; F198-V202 HydrophobicContact CD2-CG2 4.47Å; F198-V202 HydrophobicContact CE1-CG2 3.86Å; F198-V202 HydrophobicContact CE2-CG2 4Å; F198-V202 HydrophobicContact CZ-CG2 3.66Å; F198-V202 WeakPolarHBondContact O-CG2 3.47Å; F198-V202 PolarHBondContact O-N 3.42Å; F198-L217 HydrophobicContact CD2-CD2 4.5Å; F198-L217 HydrophobicContact CD2-CG 4.44Å; F198-L217 HydrophobicContact CE2-CD2 3.74Å; F198-L217 HydrophobicContact CE2-CG 4.02Å; F198-L217 HydrophobicContact CZ-CD2 4.41Å; F198-V221 HydrophobicContact CB-CG2 4.41Å; F198-V221 HydrophobicContact CD2-CG2 3.69Å; F198-V221 HydrophobicContact CG-CG2 4.5Å; F198-I247 HydrophobicContact CD2-CD1 4.49Å; F198-I247 HydrophobicContact CE2-CD1 3.67Å; F198-I247 HydrophobicContact CE2-CG1 3.88Å; F198-I247 HydrophobicContact CZ-CG1 4.3Å; F198-I247 HydrophobicContact CZ-CG2 4.48Å; F198-C273 HydrophobicContact CD1-CB 4.2Å; F198-C273 HydrophobicContact CE1-CB 3.38Å; F198-C273 VanDerWaalsContact CE1-SG 3.52Å; F198-C273 HydrophobicContact CE2-CB 4.27Å; F198-C273 HydrophobicContact CZ-CB 3.43Å; F198-C273 VanDerWaalsContact CZ-CB 3.43Å; F198-C273 WeakPolarHBondContact CZ-SG 3.07Å; F198-M275 HydrophobicContact CB-CE 3.59Å; F198-M275 HydrophobicContact CD1-CE 4.24Å; F198-M275 HydrophobicContact CG-CE 3.87Å; F198-L290 HydrophobicContact CE1-CD1 4.01Å
199	K	95.9	Very high	94.5	Very high	54 Å²	54	43.3 Å²	43.3	24%	0.235	22%	0.219	C	C	.	.	I	π-helix	trans	-62.2	-52.1	-179.6	-172.5	-177.6	172.9	-179.1	0	110.7	F194 R201 V202 M203 L290 N427	F194-K199 HydrophobicContact CE1-CB 4.33Å; F194-K199 WeakPolarHBondContact O-CB 3.43Å; F194-K199 PolarHBondContact O-N 3.46Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 3.15Å; K199-V202 PolarHBondContact O-N 2.96Å; K199-V202 VanDerWaalsContact O-N 3.12Å; K199-M203 WeakPolarHBondContact O-CG 3.31Å; K199-M203 PolarHBondContact O-N 2.97Å; K199-L290 HydrophobicContact CG-CD1 4.45Å; K199-N427 PolarHBondContact NZ-O 2.94Å
200	E	94.8	Very high	94.2	Very high	101 Å²	101	47.2 Å²	47.2	47%	0.472	24%	0.237	S	C	.	.	H	α-helix	trans	-55.8	-44.8	177	-58.3	-56.2	127.4	0	0	111.4	V202 M203 E204	E200-V202 VanDerWaalsContact C-N 3.32Å; E200-V202 PolarHBondContact O-N 3.14Å; E200-M203 WeakPolarHBondContact O-CB 3.39Å; E200-M203 PolarHBondContact O-N 3.35Å; E200-M203 VanDerWaalsContact O-N 3.13Å; E200-E204 WeakPolarHBondContact O-CG 3.33Å; E200-E204 PolarHBondContact O-N 3.09Å
201	R	95.5	Very high	93.9	Very high	62 Å²	62	54.5 Å²	54.5	23%	0.234	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-34.6	179.1	-175	56.4	-175.9	145.4	10.5	112.7	F197 F198 K199 E204 I205 E210 L217	F197-R201 WeakPolarHBondContact O-CB 3.18Å; F197-R201 PolarHBondContact O-N 2.8Å; F198-R201 PolarHBondContact O-N 3.31Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 3.15Å; R201-E204 VanDerWaalsContact CD-OE2 3.22Å; R201-E204 WeakPolarHBondContact CD-OE2 3.4Å; R201-E204 IonicContact CZ-OE2 3.95Å; R201-E204 IonicContact NE-OE2 3.56Å; R201-E204 IonicContact NH1-OE2 2.72Å; R201-E204 PolarHBondContact NH1-OE2 2.65Å; R201-I205 HydrophobicContact CG-CD1 4.02Å; R201-I205 WeakPolarHBondContact O-CB 3.5Å; R201-I205 VanDerWaalsContact O-CD1 3.28Å; R201-I205 WeakPolarHBondContact O-CD1 3.48Å; R201-I205 WeakPolarHBondContact O-CG1 3.44Å; R201-I205 PolarHBondContact O-N 3.49Å; R201-I205 VanDerWaalsContact O-N 3.11Å; R201-E210 IonicContact CZ-OE2 3.98Å; R201-E210 IonicContact NH1-OE2 2.66Å; R201-E210 IonicContact NH2-OE1 2.62Å; R201-E210 IonicContact NH2-OE2 3.09Å; R201-E210 PolarHBondContact NH2-OE2 3.34Å; R201-L217 HydrophobicContact CB-CD1 4.43Å; R201-L217 HydrophobicContact CG-CD1 3.68Å
202	V	95.4	Very high	93.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-39.8	173.5	171.9	0	0	0	0	110.7	F198 K199 E200 I205 V206 L217 M266 I271 L290 I430	F198-V202 HydrophobicContact CD1-CG2 4.36Å; F198-V202 HydrophobicContact CD2-CG2 4.47Å; F198-V202 HydrophobicContact CE1-CG2 3.86Å; F198-V202 HydrophobicContact CE2-CG2 4Å; F198-V202 HydrophobicContact CZ-CG2 3.66Å; F198-V202 WeakPolarHBondContact O-CG2 3.47Å; F198-V202 PolarHBondContact O-N 3.42Å; K199-V202 PolarHBondContact O-N 2.96Å; K199-V202 VanDerWaalsContact O-N 3.12Å; E200-V202 VanDerWaalsContact C-N 3.32Å; E200-V202 PolarHBondContact O-N 3.14Å; V202-I205 PolarHBondContact O-N 3.01Å; V202-V206 HydrophobicContact CG1-CG2 4.26Å; V202-V206 WeakPolarHBondContact O-CB 3.48Å; V202-V206 VanDerWaalsContact O-CG2 3.25Å; V202-V206 WeakPolarHBondContact O-CG2 3.37Å; V202-V206 PolarHBondContact O-N 3.38Å; V202-L217 HydrophobicContact CG2-CD2 4.01Å; V202-M266 HydrophobicContact CG1-CE 4.28Å; V202-M266 HydrophobicContact CG2-SD 4.44Å; V202-I271 HydrophobicContact CG1-CD1 4.03Å; V202-L290 HydrophobicContact CB-CD1 3.94Å; V202-L290 HydrophobicContact CG1-CD1 3.79Å; V202-L290 HydrophobicContact CG2-CD1 4.21Å; V202-I430 HydrophobicContact CG1-CD1 4.34Å
203	M	92.7	Very high	93.8	Very high	51 Å²	51	58 Å²	58	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-52.3	173.8	-63.1	-62.8	-56.6	0	0	110.5	K199 E200 I205 V206 D207 I430	K199-M203 WeakPolarHBondContact O-CG 3.31Å; K199-M203 PolarHBondContact O-N 2.97Å; E200-M203 WeakPolarHBondContact O-CB 3.39Å; E200-M203 PolarHBondContact O-N 3.35Å; E200-M203 VanDerWaalsContact O-N 3.13Å; M203-I205 VanDerWaalsContact C-N 3.26Å; M203-I205 PolarHBondContact O-N 3.46Å; M203-V206 PolarHBondContact O-N 2.96Å; M203-D207 WeakPolarHBondContact O-CB 3.41Å; M203-D207 PolarHBondContact O-N 2.7Å; M203-I430 HydrophobicContact CE-CG1 4.4Å; M203-I430 HydrophobicContact CE-CG2 4.05Å; M203-I430 HydrophobicContact SD-CD1 3.52Å; M203-I430 VanDerWaalsContact SD-CD1 3.52Å; M203-I430 HydrophobicContact SD-CG1 3.63Å; M203-I430 HydrophobicContact SD-CG2 4.29Å
204	E	93.2	Very high	93.8	Very high	100 Å²	100	58 Å²	58	47%	0.467	28%	0.279	S	S	.	.	H	α-helix	trans	-55.3	-38.9	177	-69.6	169.7	-171.8	0	0	113.3	E200 R201 A208	E200-E204 WeakPolarHBondContact O-CG 3.33Å; E200-E204 PolarHBondContact O-N 3.09Å; R201-E204 VanDerWaalsContact CD-OE2 3.22Å; R201-E204 WeakPolarHBondContact CD-OE2 3.4Å; R201-E204 IonicContact CZ-OE2 3.95Å; R201-E204 IonicContact NE-OE2 3.56Å; R201-E204 IonicContact NH1-OE2 2.72Å; R201-E204 PolarHBondContact NH1-OE2 2.65Å; E204-A208 VanDerWaalsContact O-CB 3.28Å; E204-A208 WeakPolarHBondContact O-CB 3.17Å; E204-A208 PolarHBondContact O-N 2.93Å
205	I	92.9	Very high	93.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70	-38.4	178.9	-72.1	164.8	0	0	0	111	R201 V202 M203 D209 E210 V212 L217 M266 F268	R201-I205 HydrophobicContact CG-CD1 4.02Å; R201-I205 WeakPolarHBondContact O-CB 3.5Å; R201-I205 VanDerWaalsContact O-CD1 3.28Å; R201-I205 WeakPolarHBondContact O-CD1 3.48Å; R201-I205 WeakPolarHBondContact O-CG1 3.44Å; R201-I205 PolarHBondContact O-N 3.49Å; R201-I205 VanDerWaalsContact O-N 3.11Å; V202-I205 PolarHBondContact O-N 3.01Å; M203-I205 VanDerWaalsContact C-N 3.26Å; M203-I205 PolarHBondContact O-N 3.46Å; I205-D209 PolarHBondContact O-N 3.22Å; I205-E210 HydrophobicContact CG2-CB 4.21Å; I205-E210 VanDerWaalsContact CG2-O 3.24Å; I205-E210 WeakPolarHBondContact CG2-O 3.44Å; I205-E210 PolarHBondContact O-N 3.29Å; I205-V212 HydrophobicContact CD1-CB 3.9Å; I205-V212 HydrophobicContact CD1-CG1 4.12Å; I205-V212 HydrophobicContact CD1-CG2 3.67Å; I205-V212 HydrophobicContact CG1-CB 4.44Å; I205-V212 HydrophobicContact CG1-CG2 3.75Å; I205-V212 HydrophobicContact CG2-CB 4.46Å; I205-V212 HydrophobicContact CG2-CG2 4.16Å; I205-L217 HydrophobicContact CD1-CD1 4.12Å; I205-L217 HydrophobicContact CD1-CD2 4.37Å; I205-M266 HydrophobicContact CB-CE 4.1Å; I205-M266 HydrophobicContact CD1-CE 4.47Å; I205-M266 HydrophobicContact CG2-CE 3.43Å; I205-M266 VanDerWaalsContact CG2-CE 3.43Å; I205-F268 HydrophobicContact CG2-CE1 4.06Å; I205-F268 HydrophobicContact CG2-CZ 4.26Å
206	V	91	Very high	93.8	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-71.7	-45.9	179.3	168.7	0	0	0	0	110.2	V202 M203 A208 D209 F268 V292 I430 L432	V202-V206 HydrophobicContact CG1-CG2 4.26Å; V202-V206 WeakPolarHBondContact O-CB 3.48Å; V202-V206 VanDerWaalsContact O-CG2 3.25Å; V202-V206 WeakPolarHBondContact O-CG2 3.37Å; V202-V206 PolarHBondContact O-N 3.38Å; M203-V206 PolarHBondContact O-N 2.96Å; V206-A208 PolarHBondContact O-N 2.95Å; V206-D209 PolarHBondContact O-N 2.68Å; V206-F268 HydrophobicContact CG2-CD1 3.96Å; V206-F268 HydrophobicContact CG2-CE1 3.98Å; V206-F268 HydrophobicContact CG2-CG 4.43Å; V206-F268 HydrophobicContact CG2-CZ 4.41Å; V206-V292 HydrophobicContact CG1-CG1 4.09Å; V206-V292 HydrophobicContact CG1-CG2 4.29Å; V206-V292 HydrophobicContact CG2-CG2 3.84Å; V206-I430 HydrophobicContact CG1-CG2 3.99Å; V206-I430 HydrophobicContact CG2-CD1 4.44Å; V206-L432 HydrophobicContact CG1-CD1 4.46Å; V206-L432 HydrophobicContact CG1-CD2 3.62Å; V206-L432 HydrophobicContact CG1-CG 4.38Å
207	D	88.4	Confident	93.9	Very high	110 Å²	110	55.4 Å²	55.4	59%	0.588	27%	0.268	S	S	*	.	H	α-helix	trans	-64.7	-27.4	179.8	-61.6	-15.3	0	0	0	112.5	M203	M203-D207 WeakPolarHBondContact O-CB 3.41Å; M203-D207 PolarHBondContact O-N 2.7Å
208	A	88.9	Confident	93.9	Very high	67 Å²	67	54.3 Å²	54.3	55%	0.554	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	11	179.7	0	0	0	0	0	114.3	E204 V206 E210	E204-A208 VanDerWaalsContact O-CB 3.28Å; E204-A208 WeakPolarHBondContact O-CB 3.17Å; E204-A208 PolarHBondContact O-N 2.93Å; V206-A208 PolarHBondContact O-N 2.95Å; A208-E210 PolarHBondContact O-N 3.03Å
209	D	88.8	Confident	93.9	Very high	90 Å²	90	58.4 Å²	58.4	48%	0.481	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.8	39.6	-170.8	-169.5	33.8	0	0	0	113.9	I205 V206 K211 F268	I205-D209 PolarHBondContact O-N 3.22Å; V206-D209 PolarHBondContact O-N 2.68Å; D209-K211 PolarHBondContact O-N 3.38Å; D209-F268 HydrophobicContact CB-CE2 4.42Å; D209-F268 WeakPolarHBondContact OD1-CE2 3.38Å
210	E	91.1	Very high	93.9	Very high	82 Å²	82	57.3 Å²	57.3	38%	0.383	28%	0.283	S	S	.	.			trans	-78.2	127.5	-170.8	-166.1	-166.1	156.7	0	0	111.1	R201 I205 A208 V212	R201-E210 IonicContact CZ-OE2 3.98Å; R201-E210 IonicContact NH1-OE2 2.66Å; R201-E210 IonicContact NH2-OE1 2.62Å; R201-E210 IonicContact NH2-OE2 3.09Å; R201-E210 PolarHBondContact NH2-OE2 3.34Å; I205-E210 HydrophobicContact CG2-CB 4.21Å; I205-E210 VanDerWaalsContact CG2-O 3.24Å; I205-E210 WeakPolarHBondContact CG2-O 3.44Å; I205-E210 PolarHBondContact O-N 3.29Å; A208-E210 PolarHBondContact O-N 3.03Å; E210-V212 HydrophobicContact CB-CG2 4.2Å; E210-V212 VanDerWaalsContact CD-CG2 3.46Å; E210-V212 HydrophobicContact CG-CG2 3.8Å; E210-V212 PolarHBondContact O-N 3.32Å; E210-V212 WeakPolarHBondContact OE1-CG2 3.3Å
211	K	91.3	Very high	94	Very high	155 Å²	155	52.5 Å²	52.5	67%	0.674	26%	0.261	S	S	*	.			trans	-78.7	85.3	175.7	-68.2	-178.5	-176.3	167	0	112.4	D209	D209-K211 PolarHBondContact O-N 3.38Å
212	V	94.6	Very high	94	Very high	11 Å²	11	53 Å²	53	7%	0.067	27%	0.265	C	S	.	.			trans	-100.4	134.5	177.3	-175.6	0	0	0	0	111.9	I205 E210 K216 L217 H265 M266	I205-V212 HydrophobicContact CD1-CB 3.9Å; I205-V212 HydrophobicContact CD1-CG1 4.12Å; I205-V212 HydrophobicContact CD1-CG2 3.67Å; I205-V212 HydrophobicContact CG1-CB 4.44Å; I205-V212 HydrophobicContact CG1-CG2 3.75Å; I205-V212 HydrophobicContact CG2-CB 4.46Å; I205-V212 HydrophobicContact CG2-CG2 4.16Å; E210-V212 HydrophobicContact CB-CG2 4.2Å; E210-V212 VanDerWaalsContact CD-CG2 3.46Å; E210-V212 HydrophobicContact CG-CG2 3.8Å; E210-V212 PolarHBondContact O-N 3.32Å; E210-V212 WeakPolarHBondContact OE1-CG2 3.3Å; V212-K216 HydrophobicContact CG1-CB 4.37Å; V212-L217 HydrophobicContact CG1-CB 4.21Å; V212-H265 CarbonylContact O-C 3.6Å; V212-H265 WeakPolarHBondContact O-CA 3.43Å; V212-M266 PolarHBondContact O-N 3.31Å
213	R	96.9	Very high	94.1	Very high	127 Å²	127	58.6 Å²	58.6	48%	0.479	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-75.6	143.1	175.1	-70.3	-179.7	-82.9	-176.6	-5.6	111.7	S215 K216 L217 K263 N264 H265	R213-S215 VanDerWaalsContact C-N 3.35Å; R213-S215 PolarHBondContact O-N 3.02Å; R213-K216 HydrophobicContact CB-CB 4.15Å; R213-K216 WeakPolarHBondContact O-CA 3.16Å; R213-K216 WeakPolarHBondContact O-CB 3.43Å; R213-K216 PolarHBondContact O-N 3.46Å; R213-L217 PolarHBondContact O-N 2.89Å; R213-K263 WeakPolarHBondContact CD-O 3.35Å; R213-K263 WeakPolarHBondContact CG-O 3.31Å; R213-N264 WeakPolarHBondContact CA-O 3.48Å; R213-H265 VanDerWaalsContact CG-CD2 3.45Å; R213-H265 WeakPolarHBondContact CG-CD2 3.39Å
214	H	97.2	Very high	94.2	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-53.2	-49.4	176.7	-61.4	133.1	0	0	0	112.8	K216 L217 A218 I247 S249 D262 N264	H214-K216 VanDerWaalsContact C-N 3.27Å; H214-K216 PolarHBondContact O-N 3.28Å; H214-L217 PolarHBondContact O-N 3.28Å; H214-A218 PolarHBondContact O-N 3.24Å; H214-I247 HydrophobicContact CB-CB 4.42Å; H214-S249 PolarHBondContact CE1-OG 3.39Å; H214-S249 PolarHBondContact NE2-N 3.31Å; H214-S249 PolarHBondContact NE2-OG 2.96Å; H214-D262 IonicContact CE1-OD1 3.67Å; H214-D262 IonicContact CG-OD1 2.7Å; H214-D262 IonicContact ND1-OD1 3.83Å; H214-D262 PolarHBondContact ND1-OD1 3.45Å; H214-N264 PolarHBondContact N-O 3.16Å; H214-N264 PolarHBondContact ND1-O 3.01Å
215	S	96.6	Very high	94.3	Very high	27 Å²	27	52.2 Å²	52.2	19%	0.189	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-37.9	175.2	36.2	0	0	0	0	113	R213 A218 E219 D262	R213-S215 VanDerWaalsContact C-N 3.35Å; R213-S215 PolarHBondContact O-N 3.02Å; S215-A218 PolarHBondContact O-N 2.87Å; S215-E219 WeakPolarHBondContact O-CG 3.36Å; S215-E219 PolarHBondContact O-N 3.44Å; S215-D262 VanDerWaalsContact CB-O 3.25Å; S215-D262 WeakPolarHBondContact CB-O 3.46Å; S215-D262 PolarHBondContact N-O 3.47Å; S215-D262 PolarHBondContact OG-O 3.34Å
216	K	96.9	Very high	94.3	Very high	91 Å²	91	59 Å²	59	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-69.9	-39.4	179.1	-174.5	59.6	-177.8	175.4	0	112.1	V212 R213 H214 E219 S220	V212-K216 HydrophobicContact CG1-CB 4.37Å; R213-K216 HydrophobicContact CB-CB 4.15Å; R213-K216 WeakPolarHBondContact O-CA 3.16Å; R213-K216 WeakPolarHBondContact O-CB 3.43Å; R213-K216 PolarHBondContact O-N 3.46Å; H214-K216 VanDerWaalsContact C-N 3.27Å; H214-K216 PolarHBondContact O-N 3.28Å; K216-E219 IonicContact NZ-OE2 2.79Å; K216-E219 PolarHBondContact NZ-OE2 3.08Å; K216-S220 PolarHBondContact O-N 3.2Å; K216-S220 VanDerWaalsContact O-N 3.11Å; K216-S220 PolarHBondContact O-OG 2.92Å
217	L	95.9	Very high	94.4	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-40.1	175	-172.8	56.5	0	0	0	110.8	F198 R201 V202 I205 V212 R213 H214 S220 V221 I247 M266	F198-L217 HydrophobicContact CD2-CD2 4.5Å; F198-L217 HydrophobicContact CD2-CG 4.44Å; F198-L217 HydrophobicContact CE2-CD2 3.74Å; F198-L217 HydrophobicContact CE2-CG 4.02Å; F198-L217 HydrophobicContact CZ-CD2 4.41Å; R201-L217 HydrophobicContact CB-CD1 4.43Å; R201-L217 HydrophobicContact CG-CD1 3.68Å; V202-L217 HydrophobicContact CG2-CD2 4.01Å; I205-L217 HydrophobicContact CD1-CD1 4.12Å; I205-L217 HydrophobicContact CD1-CD2 4.37Å; V212-L217 HydrophobicContact CG1-CB 4.21Å; R213-L217 PolarHBondContact O-N 2.89Å; H214-L217 PolarHBondContact O-N 3.28Å; L217-S220 WeakPolarHBondContact O-CB 3.43Å; L217-S220 PolarHBondContact O-N 2.82Å; L217-S220 VanDerWaalsContact O-N 3.1Å; L217-V221 WeakPolarHBondContact O-CG2 3.19Å; L217-V221 PolarHBondContact O-N 3.3Å; L217-I247 HydrophobicContact CB-CD1 3.73Å; L217-I247 HydrophobicContact CD2-CD1 3.92Å; L217-I247 HydrophobicContact CD2-CG2 4.46Å; L217-I247 HydrophobicContact CG-CD1 3.61Å; L217-M266 HydrophobicContact CD2-SD 3.98Å
218	A	97.1	Very high	94.5	Very high	7 Å²	7	64.5 Å²	64.5	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-47.1	174.7	0	0	0	0	0	112.6	H214 S215 S220 V221 E222 P245 I247	H214-A218 PolarHBondContact O-N 3.24Å; S215-A218 PolarHBondContact O-N 2.87Å; A218-S220 PolarHBondContact O-N 3.37Å; A218-V221 WeakPolarHBondContact O-CB 3.02Å; A218-V221 PolarHBondContact O-N 3.5Å; A218-V221 VanDerWaalsContact O-N 3.14Å; A218-E222 PolarHBondContact O-N 2.64Å; A218-P245 HydrophobicContact CB-CB 4.14Å; A218-P245 VanDerWaalsContact CB-O 3.31Å; A218-P245 WeakPolarHBondContact CB-O 3.49Å; A218-I247 HydrophobicContact CB-CD1 4.07Å
219	E	97.1	Very high	94.6	Very high	86 Å²	86	67.4 Å²	67.4	40%	0.402	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-36	172.6	-75	172.7	-165.7	0	0	112	S215 K216 E222 K223	S215-E219 WeakPolarHBondContact O-CG 3.36Å; S215-E219 PolarHBondContact O-N 3.44Å; K216-E219 IonicContact NZ-OE2 2.79Å; K216-E219 PolarHBondContact NZ-OE2 3.08Å; E219-E222 PolarHBondContact O-N 2.79Å; E219-K223 WeakPolarHBondContact O-CG 3.29Å; E219-K223 PolarHBondContact O-N 2.91Å
220	S	96.7	Very high	94.8	Very high	31 Å²	31	64.5 Å²	64.5	22%	0.217	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-36.9	-179.5	-54	0	0	0	0	111.1	F197 K216 L217 A218 K223 A224	F197-S220 WeakPolarHBondContact CE1-O 3.33Å; F197-S220 VanDerWaalsContact CZ-O 3.26Å; F197-S220 WeakPolarHBondContact CZ-O 3.05Å; K216-S220 PolarHBondContact O-N 3.2Å; K216-S220 VanDerWaalsContact O-N 3.11Å; K216-S220 PolarHBondContact O-OG 2.92Å; L217-S220 WeakPolarHBondContact O-CB 3.43Å; L217-S220 PolarHBondContact O-N 2.82Å; L217-S220 VanDerWaalsContact O-N 3.1Å; A218-S220 PolarHBondContact O-N 3.37Å; S220-K223 PolarHBondContact O-N 3.24Å; S220-A224 PolarHBondContact O-N 3.18Å
221	V	96.7	Very high	94.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-38.3	172.2	177.9	0	0	0	0	111.3	V193 F197 F198 L217 A218 A224 M241 P245 M275	V193-V221 HydrophobicContact CG1-CG1 4.02Å; F197-V221 HydrophobicContact CD1-CB 4.5Å; F197-V221 HydrophobicContact CD1-CG2 4.02Å; F197-V221 VanDerWaalsContact CE1-CA 3.5Å; F197-V221 HydrophobicContact CE1-CB 4.16Å; F197-V221 HydrophobicContact CE1-CG2 3.69Å; F198-V221 HydrophobicContact CB-CG2 4.41Å; F198-V221 HydrophobicContact CD2-CG2 3.69Å; F198-V221 HydrophobicContact CG-CG2 4.5Å; L217-V221 WeakPolarHBondContact O-CG2 3.19Å; L217-V221 PolarHBondContact O-N 3.3Å; A218-V221 WeakPolarHBondContact O-CB 3.02Å; A218-V221 PolarHBondContact O-N 3.5Å; A218-V221 VanDerWaalsContact O-N 3.14Å; V221-A224 WeakPolarHBondContact O-CB 3.47Å; V221-A224 PolarHBondContact O-N 2.91Å; V221-M241 HydrophobicContact CG1-CE 3.68Å; V221-M241 VanDerWaalsContact O-CE 3.25Å; V221-M241 WeakPolarHBondContact O-CE 3.35Å; V221-P245 HydrophobicContact CB-CB 4.27Å; V221-P245 HydrophobicContact CB-CG 3.9Å; V221-P245 HydrophobicContact CG1-CB 4.16Å; V221-P245 HydrophobicContact CG1-CG 3.66Å; V221-M275 HydrophobicContact CG1-SD 3.64Å
222	E	95.8	Very high	94.7	Very high	71 Å²	71	55 Å²	55	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-38.6	173.7	-68.5	179.7	149.8	0	0	112.3	A218 E219 I225 M241 P244 P245	A218-E222 PolarHBondContact O-N 2.64Å; E219-E222 PolarHBondContact O-N 2.79Å; E222-I225 WeakPolarHBondContact O-CG1 3.26Å; E222-M241 HydrophobicContact CG-CG 4.2Å; E222-P244 WeakPolarHBondContact OE1-CA 3.47Å; E222-P245 HydrophobicContact CG-CG 4.09Å
223	K	96	Very high	94.3	Very high	118 Å²	118	58 Å²	58	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-69.7	-33.9	174.7	-71	177.7	-176.8	-173	0	112.8	E219 S220 I225 E226	E219-K223 WeakPolarHBondContact O-CG 3.29Å; E219-K223 PolarHBondContact O-N 2.91Å; S220-K223 PolarHBondContact O-N 3.24Å; K223-I225 PolarHBondContact O-N 3.36Å; K223-E226 WeakPolarHBondContact O-CB 3.34Å; K223-E226 PolarHBondContact O-N 3.25Å
224	A	94.7	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-33.1	179.9	0	0	0	0	0	112.1	F197 S220 V221 E226 E227 Y230	F197-A224 HydrophobicContact CB-CB 4.31Å; F197-A224 HydrophobicContact CD1-CB 3.64Å; F197-A224 HydrophobicContact CD2-CB 3.76Å; F197-A224 HydrophobicContact CE1-CB 3.86Å; F197-A224 HydrophobicContact CE2-CB 3.94Å; F197-A224 HydrophobicContact CG-CB 3.59Å; F197-A224 HydrophobicContact CZ-CB 3.98Å; S220-A224 PolarHBondContact O-N 3.18Å; V221-A224 WeakPolarHBondContact O-CB 3.47Å; V221-A224 PolarHBondContact O-N 2.91Å; A224-E226 PolarHBondContact O-N 3.45Å; A224-E227 PolarHBondContact O-N 3.03Å; A224-Y230 HydrophobicContact CB-CD2 3.87Å; A224-Y230 HydrophobicContact CB-CE2 4.02Å; A224-Y230 WeakPolarHBondContact O-CD2 3.16Å
225	I	95	Very high	93.8	Very high	18 Å²	18	56.6 Å²	56.6	9%	0.092	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.3	178.5	64.7	156	0	0	0	114.1	V193 E222 K223 L231 V239 M241 I277	V193-I225 HydrophobicContact CG1-CG2 4.44Å; V193-I225 HydrophobicContact CG2-CG2 3.91Å; E222-I225 WeakPolarHBondContact O-CG1 3.26Å; K223-I225 PolarHBondContact O-N 3.36Å; I225-L231 HydrophobicContact CB-CD2 4.17Å; I225-L231 WeakPolarHBondContact O-CD1 3.33Å; I225-L231 WeakPolarHBondContact O-CD2 3.11Å; I225-V239 HydrophobicContact CB-CG1 4.27Å; I225-V239 HydrophobicContact CD1-CG1 4.4Å; I225-M241 HydrophobicContact CB-CE 4.36Å; I225-M241 HydrophobicContact CD1-CE 4.12Å; I225-M241 HydrophobicContact CD1-CG 3.86Å; I225-M241 HydrophobicContact CD1-SD 4.39Å; I225-M241 HydrophobicContact CG1-CE 4.04Å; I225-M241 HydrophobicContact CG2-CE 3.4Å; I225-M241 VanDerWaalsContact CG2-CE 3.4Å; I225-M241 HydrophobicContact CG2-SD 4.41Å; I225-I277 HydrophobicContact CG2-CD1 3.55Å
226	E	94.1	Very high	93.6	Very high	141 Å²	141	56.9 Å²	56.9	66%	0.659	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-20.5	169.8	-56.1	-179.4	171.4	0	0	111.3	K223 A224 P236	K223-E226 WeakPolarHBondContact O-CB 3.34Å; K223-E226 PolarHBondContact O-N 3.25Å; A224-E226 PolarHBondContact O-N 3.45Å; E226-P236 WeakPolarHBondContact O-CG 3.39Å
227	E	92.4	Very high	93.3	Very high	83 Å²	83	57.1 Å²	57.1	39%	0.388	31%	0.309	S	S	.	.	S	Bend	trans	-89.9	116.5	-178.7	-65.9	-174.5	-137.1	0	0	112.1	A224 K229 Y230	A224-E227 PolarHBondContact O-N 3.03Å; E227-K229 HydrophobicContact CB-CG 4.36Å; E227-K229 PolarHBondContact O-N 2.85Å; E227-K229 WeakPolarHBondContact OE2-CE 3.26Å; E227-K229 IonicContact OE2-NZ 3.88Å; E227-K229 PolarHBondContact OE2-NZ 2.79Å; E227-Y230 HydrophobicContact CB-CD2 3.97Å; E227-Y230 HydrophobicContact CB-CE2 4.24Å; E227-Y230 PolarHBondContact O-N 2.86Å; E227-Y230 VanDerWaalsContact O-N 3.12Å
228	K	90.1	Very high	93.1	Very high	146 Å²	146	58.8 Å²	58.8	64%	0.635	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-50.8	-28.1	-179.2	-72.5	-175.1	177	-178.6	0	115.1	Y230 L231 P236	K228-Y230 PolarHBondContact O-N 3.07Å; K228-L231 PolarHBondContact O-N 2.83Å; K228-P236 HydrophobicContact CG-CG 3.81Å
229	K	92.4	Very high	93.1	Very high	128 Å²	128	58.9 Å²	58.9	56%	0.557	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-64.9	-25.2	-176.4	75.4	-167.9	-166.9	-155.8	0	113.4	E227	E227-K229 HydrophobicContact CB-CG 4.36Å; E227-K229 PolarHBondContact O-N 2.85Å; E227-K229 WeakPolarHBondContact OE2-CE 3.26Å; E227-K229 IonicContact OE2-NZ 3.88Å; E227-K229 PolarHBondContact OE2-NZ 2.79Å
230	Y	92.7	Very high	93	Very high	30 Å²	30	59.6 Å²	59.6	12%	0.118	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-97.8	-2.2	178.2	-53.5	-58.6	0	0	0	113.7	K196 F197 A224 E227 K228	K196-Y230 HydrophobicContact CB-CD1 3.94Å; K196-Y230 HydrophobicContact CB-CE1 4.13Å; K196-Y230 WeakPolarHBondContact O-CE1 3.4Å; F197-Y230 HydrophobicContact CB-CD1 4.13Å; F197-Y230 HydrophobicContact CB-CE1 3.92Å; F197-Y230 HydrophobicContact CB-CE2 4.31Å; F197-Y230 HydrophobicContact CB-CG 4.44Å; F197-Y230 HydrophobicContact CD2-CE1 4.45Å; F197-Y230 AromaticContact CD2-CE2 3.81Å; F197-Y230 HydrophobicContact CD2-CE2 3.81Å; F197-Y230 AromaticContact CD2-CZ 3.68Å; F197-Y230 HydrophobicContact CG-CE2 4.35Å; A224-Y230 HydrophobicContact CB-CD2 3.87Å; A224-Y230 HydrophobicContact CB-CE2 4.02Å; A224-Y230 WeakPolarHBondContact O-CD2 3.16Å; E227-Y230 HydrophobicContact CB-CD2 3.97Å; E227-Y230 HydrophobicContact CB-CE2 4.24Å; E227-Y230 PolarHBondContact O-N 2.86Å; E227-Y230 VanDerWaalsContact O-N 3.12Å; K228-Y230 PolarHBondContact O-N 3.07Å
231	L	92	Very high	92.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	12.8	-169.9	-60.5	-172.6	0	0	0	114.8	I189 I225 K228 G233 A234 P236 V239	I189-L231 HydrophobicContact CG2-CD2 3.86Å; I225-L231 HydrophobicContact CB-CD2 4.17Å; I225-L231 WeakPolarHBondContact O-CD1 3.33Å; I225-L231 WeakPolarHBondContact O-CD2 3.11Å; K228-L231 PolarHBondContact O-N 2.83Å; L231-G233 PolarHBondContact O-N 3.03Å; L231-A234 HydrophobicContact CB-CB 4.25Å; L231-A234 VanDerWaalsContact O-CB 3.28Å; L231-A234 WeakPolarHBondContact O-CB 3.17Å; L231-A234 PolarHBondContact O-N 3.42Å; L231-P236 HydrophobicContact CD1-CB 3.87Å; L231-P236 HydrophobicContact CD1-CG 3.53Å; L231-V239 HydrophobicContact CD1-CG2 4.34Å; L231-V239 HydrophobicContact CD2-CB 4.45Å; L231-V239 HydrophobicContact CD2-CG1 3.95Å; L231-V239 HydrophobicContact CD2-CG2 4.34Å
232	A	87	Confident	92.8	Very high	36 Å²	36	59.6 Å²	59.6	30%	0.298	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	32.5	-175.8	0	0	0	0	0	113.3	K185 I189 E192	K185-A232 PolarHBondContact NZ-O 2.75Å; I189-A232 HydrophobicContact CG1-CB 4.31Å; E192-A232 HydrophobicContact CG-CB 4.29Å
233	G	87.9	Confident	92.8	Very high	75 Å²	75	57.2 Å²	57.2	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	8.7	-176.5	0	0	0	0	0	116.1	L231	L231-G233 PolarHBondContact O-N 3.03Å
234	A	91.2	Very high	92.7	Very high	11 Å²	11	54.9 Å²	54.9	9%	0.091	31%	0.305	C	S	.	.			trans	-75	155.1	168.9	0	0	0	0	0	111.8	I189 L231 V239 F279	I189-A234 HydrophobicContact CD1-CB 3.72Å; L231-A234 HydrophobicContact CB-CB 4.25Å; L231-A234 VanDerWaalsContact O-CB 3.28Å; L231-A234 WeakPolarHBondContact O-CB 3.17Å; L231-A234 PolarHBondContact O-N 3.42Å; A234-V239 HydrophobicContact CB-CG2 3.97Å; A234-F279 HydrophobicContact CB-CD2 4.35Å; A234-F279 HydrophobicContact CB-CE2 3.81Å
235	D	90.9	Very high	92.9	Very high	88 Å²	88	55 Å²	55	47%	0.471	31%	0.306	S	S	.	.			trans	-77.1	126.8	172.2	-168.6	-25.3	0	0	0	109.4	S237 T238	D235-S237 PolarHBondContact O-N 3.24Å; D235-S237 VanDerWaalsContact O-N 3.09Å; D235-S237 PolarHBondContact OD1-N 2.85Å; D235-S237 VanDerWaalsContact OD1-N 3.13Å; D235-T238 HydrophobicContact CB-CG2 4.38Å; D235-T238 PolarHBondContact O-N 2.94Å; D235-T238 PolarHBondContact O-OG1 3.42Å
236	P	92	Very high	93	Very high	32 Å²	32	54.4 Å²	54.4	21%	0.208	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-48.8	-34.4	175.5	-25.9	29.7	0	0	0	113.8	E226 K228 L231 T238 V239	E226-P236 WeakPolarHBondContact O-CG 3.39Å; K228-P236 HydrophobicContact CG-CG 3.81Å; L231-P236 HydrophobicContact CD1-CB 3.87Å; L231-P236 HydrophobicContact CD1-CG 3.53Å; P236-T238 PolarHBondContact O-N 3.09Å; P236-V239 PolarHBondContact O-N 3.01Å; P236-V239 VanDerWaalsContact O-N 3.15Å
237	S	91.2	Very high	93.2	Very high	97 Å²	97	47.7 Å²	47.7	68%	0.678	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-68.7	-3.5	-180	86.4	0	0	0	0	114.5	D235	D235-S237 PolarHBondContact O-N 3.24Å; D235-S237 VanDerWaalsContact O-N 3.09Å; D235-S237 PolarHBondContact OD1-N 2.85Å; D235-S237 VanDerWaalsContact OD1-N 3.13Å
238	T	92.8	Very high	93.4	Very high	37 Å²	37	44.5 Å²	44.5	23%	0.227	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-116.3	5	-179.5	62.2	0	0	0	0	112.9	D235 P236 F279 K280	D235-T238 HydrophobicContact CB-CG2 4.38Å; D235-T238 PolarHBondContact O-N 2.94Å; D235-T238 PolarHBondContact O-OG1 3.42Å; P236-T238 PolarHBondContact O-N 3.09Å; T238-F279 WeakPolarHBondContact O-CA 3.29Å; T238-F279 WeakPolarHBondContact O-CD2 3.38Å; T238-F279 VanDerWaalsContact OG1-CE2 3.29Å; T238-F279 WeakPolarHBondContact OG1-CE2 3.25Å; T238-K280 PolarHBondContact O-N 3.31Å
239	V	95.4	Very high	93.7	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.8	-174.7	179.1	0	0	0	0	108.3	I189 I225 L231 A234 P236 I277 F279	I189-V239 HydrophobicContact CD1-CG2 3.93Å; I189-V239 HydrophobicContact CG2-CG1 4.37Å; I225-V239 HydrophobicContact CB-CG1 4.27Å; I225-V239 HydrophobicContact CD1-CG1 4.4Å; L231-V239 HydrophobicContact CD1-CG2 4.34Å; L231-V239 HydrophobicContact CD2-CB 4.45Å; L231-V239 HydrophobicContact CD2-CG1 3.95Å; L231-V239 HydrophobicContact CD2-CG2 4.34Å; A234-V239 HydrophobicContact CB-CG2 3.97Å; P236-V239 PolarHBondContact O-N 3.01Å; P236-V239 VanDerWaalsContact O-N 3.15Å; V239-I277 HydrophobicContact CG1-CD1 4.23Å; V239-I277 HydrophobicContact CG1-CG2 3.65Å; V239-F279 HydrophobicContact CG2-CD2 3.97Å
240	E	94.8	Very high	93.8	Very high	101 Å²	101	32.4 Å²	32.4	47%	0.472	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.5	175.8	-65.9	168	-174.9	0	0	109.2	R278	E240-R278 HydrophobicContact CB-CB 4.33Å; E240-R278 PolarHBondContact N-O 3Å; E240-R278 PolarHBondContact O-N 3.22Å; E240-R278 IonicContact OE2-CZ 2.7Å; E240-R278 IonicContact OE2-NH1 3.47Å; E240-R278 PolarHBondContact OE2-NH1 2.85Å
241	M	95.3	Very high	93.7	Very high	27 Å²	27	32.1 Å²	32.1	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.7	165.8	-73	-59.9	179.4	0	0	110.5	V221 E222 I225 Y243 P245 I277	V221-M241 HydrophobicContact CG1-CE 3.68Å; V221-M241 VanDerWaalsContact O-CE 3.25Å; V221-M241 WeakPolarHBondContact O-CE 3.35Å; E222-M241 HydrophobicContact CG-CG 4.2Å; I225-M241 HydrophobicContact CB-CE 4.36Å; I225-M241 HydrophobicContact CD1-CE 4.12Å; I225-M241 HydrophobicContact CD1-CG 3.86Å; I225-M241 HydrophobicContact CD1-SD 4.39Å; I225-M241 HydrophobicContact CG1-CE 4.04Å; I225-M241 HydrophobicContact CG2-CE 3.4Å; I225-M241 VanDerWaalsContact CG2-CE 3.4Å; I225-M241 HydrophobicContact CG2-SD 4.41Å; M241-Y243 PolarHBondContact O-N 3.38Å; M241-P245 HydrophobicContact CE-CG 4.1Å; M241-P245 HydrophobicContact SD-CG 4.28Å; M241-I277 HydrophobicContact CE-CD1 4.23Å; M241-I277 HydrophobicContact SD-CD1 3.79Å
242	C	95.6	Very high	93.6	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	24%	0.237	C	C	.	.	S	Bend	trans	-64.1	-34.6	172.6	-72.3	0	0	0	0	111.7	Y46 G276 I277 C283 S284 F356	Y46-C242 WeakPolarHBondContact CE2-O 3.35Å; Y46-C242 VanDerWaalsContact OH-CA 3.25Å; Y46-C242 WeakPolarHBondContact OH-CA 3.48Å; Y46-C242 PolarHBondContact OH-O 2.83Å; C242-G276 WeakPolarHBondContact CB-O 3.38Å; C242-G276 PolarHBondContact N-O 2.91Å; C242-G276 VanDerWaalsContact SG-C 3.51Å; C242-G276 PolarHBondContact SG-O 2.87Å; C242-I277 PolarHBondContact SG-O 3.25Å; C242-C283 VanDerWaalsContact SG-CB 3.6Å; C242-S284 PolarHBondContact SG-O 2.61Å; C242-F356 HydrophobicContact CB-CD2 3.89Å; C242-F356 HydrophobicContact CB-CE2 4.47Å; C242-F356 HydrophobicContact CB-CG 4.41Å
243	Y	94.6	Very high	94	Very high	21 Å²	21	35.8 Å²	35.8	8%	0.082	23%	0.228	C	C	.	.	S	Bend	trans	-163.8	157.8	178.7	55	-85.5	0	0	0	107.3	M241 I246 F257 A274 M275 N285 F356	M241-Y243 PolarHBondContact O-N 3.38Å; Y243-I246 HydrophobicContact CD2-CD1 3.76Å; Y243-I246 HydrophobicContact CD2-CG1 4.04Å; Y243-I246 HydrophobicContact CE2-CD1 3.62Å; Y243-I246 HydrophobicContact CE2-CG1 3.92Å; Y243-F257 HydrophobicContact CE1-CD1 4.06Å; Y243-F257 AromaticContact CE2-CD1 3.96Å; Y243-F257 HydrophobicContact CE2-CD1 3.96Å; Y243-F257 AromaticContact CZ-CD1 3.57Å; Y243-F257 WeakPolarHBondContact OH-CD1 3.42Å; Y243-F257 WeakPolarHBondContact OH-CE1 3.41Å; Y243-A274 HydrophobicContact CE2-CB 4.43Å; Y243-A274 VanDerWaalsContact OH-C 3.3Å; Y243-M275 WeakPolarHBondContact OH-CA 3.38Å; Y243-M275 PolarHBondContact OH-N 3.49Å; Y243-N285 WeakPolarHBondContact CE1-OD1 3.26Å; Y243-N285 PolarHBondContact OH-OD1 3.25Å; Y243-F356 HydrophobicContact CD1-CD1 4.26Å; Y243-F356 HydrophobicContact CD1-CD2 4.09Å; Y243-F356 AromaticContact CD1-CE1 3.95Å; Y243-F356 HydrophobicContact CD1-CE1 3.95Å; Y243-F356 AromaticContact CD1-CE2 3.77Å; Y243-F356 HydrophobicContact CD1-CE2 3.77Å; Y243-F356 HydrophobicContact CD1-CG 4.33Å; Y243-F356 AromaticContact CD1-CZ 3.69Å; Y243-F356 HydrophobicContact CD1-CZ 3.69Å; Y243-F356 HydrophobicContact CE1-CD2 4.04Å; Y243-F356 HydrophobicContact CE1-CE1 4.01Å; Y243-F356 AromaticContact CE1-CE2 3.31Å; Y243-F356 HydrophobicContact CE1-CE2 3.31Å; Y243-F356 AromaticContact CE1-CZ 3.29Å; Y243-F356 HydrophobicContact CE1-CZ 3.29Å
244	P	95.1	Very high	94.3	Very high	69 Å²	69	35.5 Å²	35.5	45%	0.448	21%	0.209	S	C	.	.			trans	-55.6	130.7	176.6	-26	35.2	0	0	0	111.1	E222 I246	E222-P244 WeakPolarHBondContact OE1-CA 3.47Å; P244-I246 WeakPolarHBondContact O-CG1 3.49Å; P244-I246 PolarHBondContact O-N 2.88Å
245	P	97.5	Very high	94.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	21%	0.21	C	C	.	.			trans	-52	135	-178.5	-28	35.6	0	0	0	112.5	A218 V221 E222 M241 S261 M275	A218-P245 HydrophobicContact CB-CB 4.14Å; A218-P245 VanDerWaalsContact CB-O 3.31Å; A218-P245 WeakPolarHBondContact CB-O 3.49Å; V221-P245 HydrophobicContact CB-CB 4.27Å; V221-P245 HydrophobicContact CB-CG 3.9Å; V221-P245 HydrophobicContact CG1-CB 4.16Å; V221-P245 HydrophobicContact CG1-CG 3.66Å; E222-P245 HydrophobicContact CG-CG 4.09Å; M241-P245 HydrophobicContact CE-CG 4.1Å; M241-P245 HydrophobicContact SD-CG 4.28Å; P245-S261 PolarHBondContact O-OG 3.47Å; P245-M275 HydrophobicContact CB-CB 4.29Å; P245-M275 HydrophobicContact CG-CB 4.48Å
246	I	98	Very high	94.7	Very high	6 Å²	6	38 Å²	38	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.5	-175.2	-56.8	166.7	0	0	0	108.3	Y243 P244 Q248 F257 V259 S261 C273 A274	Y243-I246 HydrophobicContact CD2-CD1 3.76Å; Y243-I246 HydrophobicContact CD2-CG1 4.04Å; Y243-I246 HydrophobicContact CE2-CD1 3.62Å; Y243-I246 HydrophobicContact CE2-CG1 3.92Å; P244-I246 WeakPolarHBondContact O-CG1 3.49Å; P244-I246 PolarHBondContact O-N 2.88Å; I246-Q248 HydrophobicContact CG2-CG 4.07Å; I246-F257 HydrophobicContact CD1-CB 4.47Å; I246-F257 HydrophobicContact CD1-CD1 4.42Å; I246-V259 HydrophobicContact CD1-CG2 4.11Å; I246-V259 WeakPolarHBondContact CD1-O 3.45Å; I246-V259 HydrophobicContact CG1-CG2 4.39Å; I246-V259 WeakPolarHBondContact CG1-O 3.14Å; I246-V259 HydrophobicContact CG2-CG2 3.56Å; I246-S261 WeakPolarHBondContact CA-OG 3.41Å; I246-C273 CarbonylContact O-C 3.45Å; I246-C273 WeakPolarHBondContact O-CA 3.44Å; I246-A274 HydrophobicContact CB-CB 4.27Å; I246-A274 PolarHBondContact N-O 3.36Å; I246-A274 PolarHBondContact O-N 3.47Å
247	I	98	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.4	-179.7	-54.1	158.9	0	0	0	107.3	F198 H214 L217 A218 S261 I271 T272	F198-I247 HydrophobicContact CD2-CD1 4.49Å; F198-I247 HydrophobicContact CE2-CD1 3.67Å; F198-I247 HydrophobicContact CE2-CG1 3.88Å; F198-I247 HydrophobicContact CZ-CG1 4.3Å; F198-I247 HydrophobicContact CZ-CG2 4.48Å; H214-I247 HydrophobicContact CB-CB 4.42Å; L217-I247 HydrophobicContact CB-CD1 3.73Å; L217-I247 HydrophobicContact CD2-CD1 3.92Å; L217-I247 HydrophobicContact CD2-CG2 4.46Å; L217-I247 HydrophobicContact CG-CD1 3.61Å; A218-I247 HydrophobicContact CB-CD1 4.07Å; I247-S261 PolarHBondContact N-OG 2.78Å; I247-I271 HydrophobicContact CG2-CG2 4.12Å; I247-T272 VanDerWaalsContact CA-O 3.31Å; I247-T272 WeakPolarHBondContact CA-O 3.24Å
248	Q	97.6	Very high	94.7	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136	-177.1	-52	171.8	-2.5	0	0	110.2	I246 Y253 N254 V259 T272	I246-Q248 HydrophobicContact CG2-CG 4.07Å; Q248-Y253 HydrophobicContact CB-CD1 3.97Å; Q248-Y253 HydrophobicContact CB-CE1 4.49Å; Q248-N254 PolarHBondContact NE2-O 3.11Å; Q248-N254 PolarHBondContact OE1-O 2.89Å; Q248-V259 VanDerWaalsContact NE2-CG2 3.27Å; Q248-T272 WeakPolarHBondContact CB-OG1 3.42Å; Q248-T272 PolarHBondContact N-O 3.37Å; Q248-T272 PolarHBondContact O-N 2.99Å; Q248-T272 PolarHBondContact O-OG1 3.16Å
249	S	96.4	Very high	94.7	Very high	3 Å²	3	38 Å²	38	2%	0.021	21%	0.211	C	C	.	.			trans	-157.1	177.1	174.1	69.5	0	0	0	0	109.8	H214 M266 H267	H214-S249 PolarHBondContact CE1-OG 3.39Å; H214-S249 PolarHBondContact NE2-N 3.31Å; H214-S249 PolarHBondContact NE2-OG 2.96Å; S249-M266 WeakPolarHBondContact OG-CA 3.35Å; S249-H267 WeakPolarHBondContact CB-O 3.21Å; S249-H267 PolarHBondContact OG-N 3.33Å; S249-H267 PolarHBondContact OG-O 3.06Å
250	G	93.3	Very high	94.5	Very high	18 Å²	18	42.7 Å²	42.7	19%	0.186	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	43.4	170.8	0	0	0	0	0	114.3	N252 Y253 H267 E395	G250-N252 PolarHBondContact O-N 3.37Å; G250-N252 VanDerWaalsContact O-N 3.16Å; G250-Y253 PolarHBondContact N-OH 3.12Å; G250-H267 VanDerWaalsContact CA-CB 3.47Å; G250-E395 CarbonylContact C-O 3.6Å; G250-E395 WeakPolarHBondContact CA-O 3.47Å
251	G	90.6	Very high	94.5	Very high	23 Å²	23	38.5 Å²	38.5	24%	0.237	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-16.2	175.5	0	0	0	0	0	116	E395 T398	G251-E395 PolarHBondContact N-O 3.18Å; G251-E395 VanDerWaalsContact N-O 3.14Å; G251-T398 WeakPolarHBondContact CA-O 3.17Å; G251-T398 WeakPolarHBondContact CA-OG1 3.44Å; G251-T398 PolarHBondContact O-OG1 2.85Å
252	N	90.9	Very high	94.5	Very high	85 Å²	85	39 Å²	39	46%	0.455	23%	0.225	S	C	.	.			trans	-101	87.7	-176.9	-171.4	24	0	0	0	112.5	G250 D262	G250-N252 PolarHBondContact O-N 3.37Å; G250-N252 VanDerWaalsContact O-N 3.16Å; N252-D262 PolarHBondContact ND2-OD2 3.31Å
253	Y	94.6	Very high	94.4	Very high	29 Å²	29	46.8 Å²	46.8	11%	0.114	26%	0.258	C	S	.	.			trans	-115.9	136.6	-177.9	-52.9	-87.9	0	0	0	112.6	Q248 G250 A270 T272 T398 Y399 A400	Q248-Y253 HydrophobicContact CB-CD1 3.97Å; Q248-Y253 HydrophobicContact CB-CE1 4.49Å; G250-Y253 PolarHBondContact N-OH 3.12Å; Y253-A270 WeakPolarHBondContact CE1-O 3.39Å; Y253-A270 PolarHBondContact OH-O 3.43Å; Y253-T272 HydrophobicContact CD1-CG2 4.06Å; Y253-T272 HydrophobicContact CE1-CG2 4.1Å; Y253-T398 WeakPolarHBondContact CE2-O 3.32Å; Y253-Y399 VanDerWaalsContact CE2-CA 3.43Å; Y253-A400 HydrophobicContact CD1-CB 3.58Å; Y253-A400 HydrophobicContact CD2-CB 3.8Å; Y253-A400 HydrophobicContact CE1-CB 4.19Å; Y253-A400 HydrophobicContact CE2-CB 4.42Å; Y253-A400 HydrophobicContact CG-CB 3.34Å
254	N	94.6	Very high	94.4	Very high	68 Å²	68	50 Å²	50	36%	0.364	28%	0.277	S	S	.	.			trans	-144.3	96.6	172	-173.1	-13.4	0	0	0	108.9	Q248 K256 V259	Q248-N254 PolarHBondContact NE2-O 3.11Å; Q248-N254 PolarHBondContact OE1-O 2.89Å; N254-K256 PolarHBondContact O-N 3.13Å; N254-K256 WeakPolarHBondContact OD1-CD 3.42Å; N254-K256 WeakPolarHBondContact OD1-CG 3.41Å; N254-V259 HydrophobicContact CB-CG1 4.02Å; N254-V259 WeakPolarHBondContact ND2-CG1 3.47Å
255	L	95.5	Very high	94.3	Very high	25 Å²	25	51.6 Å²	51.6	13%	0.131	28%	0.278	C	S	.	.			trans	-76.1	59.2	-172.2	-49.5	-174.6	0	0	0	112	T345 A400 F402	L255-T345 HydrophobicContact CB-CG2 4.25Å; L255-T345 HydrophobicContact CD1-CG2 4.08Å; L255-A400 HydrophobicContact CD2-CB 4.24Å; L255-F402 HydrophobicContact CB-CD1 4.27Å; L255-F402 HydrophobicContact CB-CD2 4.45Å; L255-F402 HydrophobicContact CB-CE1 4.26Å; L255-F402 HydrophobicContact CB-CE2 4.42Å; L255-F402 HydrophobicContact CB-CG 4.41Å; L255-F402 HydrophobicContact CB-CZ 4.34Å; L255-F402 HydrophobicContact CD1-CB 4.24Å; L255-F402 HydrophobicContact CD1-CD2 4.13Å; L255-F402 HydrophobicContact CD1-CG 4.15Å; L255-F402 HydrophobicContact CD2-CB 3.89Å; L255-F402 HydrophobicContact CD2-CD1 3.85Å; L255-F402 HydrophobicContact CD2-CG 3.9Å; L255-F402 HydrophobicContact CG-CD1 4.49Å; L255-F402 HydrophobicContact CG-CG 4.37Å
256	K	93.9	Very high	94.1	Very high	126 Å²	126	52.1 Å²	52.1	55%	0.548	28%	0.281	S	S	.	.			trans	-134.5	136	178.4	-65.8	178.5	-170.3	167.1	0	109.9	N254 S258 V259	N254-K256 PolarHBondContact O-N 3.13Å; N254-K256 WeakPolarHBondContact OD1-CD 3.42Å; N254-K256 WeakPolarHBondContact OD1-CG 3.41Å; K256-S258 PolarHBondContact O-N 2.99Å; K256-S258 VanDerWaalsContact O-N 3.07Å; K256-V259 HydrophobicContact CB-CG1 4.26Å; K256-V259 WeakPolarHBondContact O-CG2 3.28Å; K256-V259 PolarHBondContact O-N 2.9Å
257	F	93.7	Very high	93.9	Very high	32 Å²	32	54 Å²	54	14%	0.14	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	0.9	177.8	-57.9	-77.6	0	0	0	115.3	Y243 I246 A274 N285 V287 F350 F356 N380 F402	Y243-F257 HydrophobicContact CE1-CD1 4.06Å; Y243-F257 AromaticContact CE2-CD1 3.96Å; Y243-F257 HydrophobicContact CE2-CD1 3.96Å; Y243-F257 AromaticContact CZ-CD1 3.57Å; Y243-F257 WeakPolarHBondContact OH-CD1 3.42Å; Y243-F257 WeakPolarHBondContact OH-CE1 3.41Å; I246-F257 HydrophobicContact CD1-CB 4.47Å; I246-F257 HydrophobicContact CD1-CD1 4.42Å; F257-A274 HydrophobicContact CD1-CB 4.37Å; F257-A274 HydrophobicContact CE1-CB 3.94Å; F257-N285 WeakPolarHBondContact CE1-ND2 3.44Å; F257-N285 WeakPolarHBondContact CZ-ND2 3.4Å; F257-V287 HydrophobicContact CE1-CG2 3.9Å; F257-V287 HydrophobicContact CZ-CG2 3.95Å; F257-F350 AromaticContact CD2-CE1 3.84Å; F257-F350 HydrophobicContact CD2-CE1 3.84Å; F257-F350 AromaticContact CD2-CZ 3.9Å; F257-F350 HydrophobicContact CD2-CZ 3.9Å; F257-F350 AromaticContact CE2-CE1 3.76Å; F257-F350 HydrophobicContact CE2-CE1 3.76Å; F257-F350 AromaticContact CE2-CZ 3.88Å; F257-F350 HydrophobicContact CE2-CZ 3.88Å; F257-F356 HydrophobicContact CB-CE1 3.71Å; F257-F356 HydrophobicContact CB-CZ 4.12Å; F257-F356 HydrophobicContact CD1-CE1 4.23Å; F257-F356 AromaticContact CD1-CZ 3.75Å; F257-F356 HydrophobicContact CD1-CZ 3.75Å; F257-F356 HydrophobicContact CD2-CE1 4.19Å; F257-F356 HydrophobicContact CD2-CZ 4.15Å; F257-F356 HydrophobicContact CE1-CZ 4.17Å; F257-F356 AromaticContact CG-CE1 3.78Å; F257-F356 HydrophobicContact CG-CE1 3.78Å; F257-F356 AromaticContact CG-CZ 3.73Å; F257-F356 HydrophobicContact CG-CZ 3.73Å; F257-N380 HydrophobicContact CE2-CB 4.41Å; F257-N380 VanDerWaalsContact CE2-ND2 3.31Å; F257-N380 WeakPolarHBondContact CE2-ND2 2.96Å; F257-N380 HydrophobicContact CZ-CB 4.21Å; F257-N380 WeakPolarHBondContact CZ-ND2 3.45Å; F257-F402 HydrophobicContact CE2-CZ 4.36Å; F257-F402 HydrophobicContact CZ-CE1 4.28Å; F257-F402 AromaticContact CZ-CZ 4Å; F257-F402 HydrophobicContact CZ-CZ 4Å
258	S	90.1	Very high	93.5	Very high	105 Å²	105	56.1 Å²	56.1	73%	0.734	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.7	176.3	63.9	0	0	0	0	113.1	K256	K256-S258 PolarHBondContact O-N 2.99Å; K256-S258 VanDerWaalsContact O-N 3.07Å
259	V	92.9	Very high	93.2	Very high	29 Å²	29	56.3 Å²	56.3	18%	0.176	31%	0.305	C	S	.	.			trans	-88.9	161.5	177.9	-53	0	0	0	0	109.8	I246 Q248 N254 K256	I246-V259 HydrophobicContact CD1-CG2 4.11Å; I246-V259 WeakPolarHBondContact CD1-O 3.45Å; I246-V259 HydrophobicContact CG1-CG2 4.39Å; I246-V259 WeakPolarHBondContact CG1-O 3.14Å; I246-V259 HydrophobicContact CG2-CG2 3.56Å; Q248-V259 VanDerWaalsContact NE2-CG2 3.27Å; N254-V259 HydrophobicContact CB-CG1 4.02Å; N254-V259 WeakPolarHBondContact ND2-CG1 3.47Å; K256-V259 HydrophobicContact CB-CG1 4.26Å; K256-V259 WeakPolarHBondContact O-CG2 3.28Å; K256-V259 PolarHBondContact O-N 2.9Å
260	V	92.1	Very high	93.2	Very high	108 Å²	108	56.6 Å²	56.6	66%	0.655	31%	0.307	S	S	*	.			trans	-115.7	150.3	172.9	-66.9	0	0	0	0	108.7	D262	V260-D262 PolarHBondContact O-N 3.18Å
261	S	95	Very high	93.4	Very high	14 Å²	14	55.7 Å²	55.7	10%	0.098	30%	0.298	C	S	.	.			trans	-55.4	128.7	172.3	-64.6	0	0	0	0	110.1	P245 I246 I247	P245-S261 PolarHBondContact O-OG 3.47Å; I246-S261 WeakPolarHBondContact CA-OG 3.41Å; I247-S261 PolarHBondContact N-OG 2.78Å
262	D	93.9	Very high	93.7	Very high	38 Å²	38	54.8 Å²	54.8	20%	0.203	29%	0.288	C	S	.	.			trans	-77.6	-173.5	-175.9	72.3	23.1	0	0	0	112.2	H214 S215 N252 V260 N264	H214-D262 IonicContact CE1-OD1 3.67Å; H214-D262 IonicContact CG-OD1 2.7Å; H214-D262 IonicContact ND1-OD1 3.83Å; H214-D262 PolarHBondContact ND1-OD1 3.45Å; S215-D262 VanDerWaalsContact CB-O 3.25Å; S215-D262 WeakPolarHBondContact CB-O 3.46Å; S215-D262 PolarHBondContact N-O 3.47Å; S215-D262 PolarHBondContact OG-O 3.34Å; N252-D262 PolarHBondContact ND2-OD2 3.31Å; V260-D262 PolarHBondContact O-N 3.18Å; D262-N264 VanDerWaalsContact OD1-CB 3.29Å; D262-N264 WeakPolarHBondContact OD1-CB 3.35Å; D262-N264 PolarHBondContact OD1-N 2.9Å; D262-N264 PolarHBondContact OD2-ND2 3.27Å
263	K	94.7	Very high	94	Very high	166 Å²	166	50.9 Å²	50.9	72%	0.722	27%	0.267	S	S	*	.	S	Bend	trans	-99.3	5.6	179.9	-64.7	-176.4	179.7	-179.8	0	113.1	R213	R213-K263 WeakPolarHBondContact CD-O 3.35Å; R213-K263 WeakPolarHBondContact CG-O 3.31Å
264	N	93.9	Very high	94.2	Very high	89 Å²	89	49.7 Å²	49.7	48%	0.476	26%	0.264	S	S	.	.	S	Bend	trans	-72.3	154.5	176.1	-61.4	-37.9	0	0	0	109.6	R213 H214 D262	R213-N264 WeakPolarHBondContact CA-O 3.48Å; H214-N264 PolarHBondContact N-O 3.16Å; H214-N264 PolarHBondContact ND1-O 3.01Å; D262-N264 VanDerWaalsContact OD1-CB 3.29Å; D262-N264 WeakPolarHBondContact OD1-CB 3.35Å; D262-N264 PolarHBondContact OD1-N 2.9Å; D262-N264 PolarHBondContact OD2-ND2 3.27Å
265	H	93.7	Very high	94.3	Very high	103 Å²	103	46.6 Å²	46.6	48%	0.477	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-69.6	145.1	170.8	-62.2	125.7	0	0	0	109.7	V212 R213 H267	V212-H265 CarbonylContact O-C 3.6Å; V212-H265 WeakPolarHBondContact O-CA 3.43Å; R213-H265 VanDerWaalsContact CG-CD2 3.45Å; R213-H265 WeakPolarHBondContact CG-CD2 3.39Å; H265-H267 PolarHBondContact O-N 3.2Å
266	M	93.3	Very high	94.4	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.059	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.8	126.8	172	-171	176.6	77.5	0	0	108.6	V202 I205 V212 L217 S249 F268 I271	V202-M266 HydrophobicContact CG1-CE 4.28Å; V202-M266 HydrophobicContact CG2-SD 4.44Å; I205-M266 HydrophobicContact CB-CE 4.1Å; I205-M266 HydrophobicContact CD1-CE 4.47Å; I205-M266 HydrophobicContact CG2-CE 3.43Å; I205-M266 VanDerWaalsContact CG2-CE 3.43Å; V212-M266 PolarHBondContact O-N 3.31Å; L217-M266 HydrophobicContact CD2-SD 3.98Å; S249-M266 WeakPolarHBondContact OG-CA 3.35Å; M266-F268 HydrophobicContact CE-CD1 4.25Å; M266-F268 HydrophobicContact CE-CE1 3.83Å; M266-I271 HydrophobicContact CE-CD1 4.02Å; M266-I271 HydrophobicContact CG-CD1 4.08Å; M266-I271 HydrophobicContact CG-CG1 4.15Å; M266-I271 HydrophobicContact CG-CG2 4.34Å; M266-I271 HydrophobicContact SD-CD1 3.83Å; M266-I271 HydrophobicContact SD-CG1 4.31Å; M266-I271 HydrophobicContact SD-CG2 3.96Å
267	H	92.7	Very high	94.6	Very high	44 Å²	44	39.5 Å²	39.5	20%	0.204	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-100.3	135.1	176.6	179.6	-76.3	0	0	0	109.1	S249 G250 H265 G269 E395 E396	S249-H267 WeakPolarHBondContact CB-O 3.21Å; S249-H267 PolarHBondContact OG-N 3.33Å; S249-H267 PolarHBondContact OG-O 3.06Å; G250-H267 VanDerWaalsContact CA-CB 3.47Å; H265-H267 PolarHBondContact O-N 3.2Å; H267-G269 PolarHBondContact O-N 2.7Å; H267-E395 VanDerWaalsContact CD2-CB 3.46Å; H267-E395 WeakPolarHBondContact CD2-CB 3.45Å; H267-E396 VanDerWaalsContact CE1-CG 3.41Å; H267-E396 WeakPolarHBondContact CE1-CG 3.38Å; H267-E396 WeakPolarHBondContact NE2-CG 3.35Å; H267-E396 IonicContact NE2-OE1 3.89Å
268	F	90.2	Very high	94.7	Very high	46 Å²	46	39.2 Å²	39.2	20%	0.202	21%	0.213	C	C	.	.	S	Bend	trans	-76.1	125.1	179.5	-54.9	-19.9	0	0	0	110.1	I205 V206 D209 M266 V292	I205-F268 HydrophobicContact CG2-CE1 4.06Å; I205-F268 HydrophobicContact CG2-CZ 4.26Å; V206-F268 HydrophobicContact CG2-CD1 3.96Å; V206-F268 HydrophobicContact CG2-CE1 3.98Å; V206-F268 HydrophobicContact CG2-CG 4.43Å; V206-F268 HydrophobicContact CG2-CZ 4.41Å; D209-F268 HydrophobicContact CB-CE2 4.42Å; D209-F268 WeakPolarHBondContact OD1-CE2 3.38Å; M266-F268 HydrophobicContact CE-CD1 4.25Å; M266-F268 HydrophobicContact CE-CE1 3.83Å; F268-V292 HydrophobicContact CB-CB 4.02Å; F268-V292 HydrophobicContact CB-CG1 4.12Å; F268-V292 HydrophobicContact CB-CG2 4.05Å
269	G	91.6	Very high	95	Very high	20 Å²	20	35.1 Å²	35.1	21%	0.206	18%	0.182	C	C	.	.	S	Bend	trans	151.9	-135.5	-165.3	0	0	0	0	0	107.5	H267 I271 M291 V292	H267-G269 PolarHBondContact O-N 2.7Å; G269-I271 PolarHBondContact O-N 3.47Å; G269-M291 CarbonylContact O-C 3.48Å; G269-M291 VanDerWaalsContact O-CA 3.25Å; G269-M291 WeakPolarHBondContact O-CA 3.47Å; G269-V292 PolarHBondContact O-N 2.96Å
270	A	95.7	Very high	95	Very high	8 Å²	8	39.4 Å²	39.4	7%	0.066	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	108.2	174.5	0	0	0	0	0	112.1	Y253 T289 Y399	Y253-A270 WeakPolarHBondContact CE1-O 3.39Å; Y253-A270 PolarHBondContact OH-O 3.43Å; A270-T289 HydrophobicContact CB-CG2 4.09Å; A270-Y399 HydrophobicContact CB-CD2 4.41Å
271	I	97.2	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	103.2	177.4	-56	161.3	0	0	0	108.4	V202 I247 M266 G269 T289 L290 V292	V202-I271 HydrophobicContact CG1-CD1 4.03Å; I247-I271 HydrophobicContact CG2-CG2 4.12Å; M266-I271 HydrophobicContact CE-CD1 4.02Å; M266-I271 HydrophobicContact CG-CD1 4.08Å; M266-I271 HydrophobicContact CG-CG1 4.15Å; M266-I271 HydrophobicContact CG-CG2 4.34Å; M266-I271 HydrophobicContact SD-CD1 3.83Å; M266-I271 HydrophobicContact SD-CG1 4.31Å; M266-I271 HydrophobicContact SD-CG2 3.96Å; G269-I271 PolarHBondContact O-N 3.47Å; I271-T289 CarbonylContact O-C 3.57Å; I271-T289 VanDerWaalsContact O-CA 3.31Å; I271-T289 WeakPolarHBondContact O-CA 3.28Å; I271-L290 HydrophobicContact CB-CB 4.48Å; I271-L290 PolarHBondContact N-O 2.85Å; I271-L290 PolarHBondContact O-N 3.27Å; I271-V292 HydrophobicContact CD1-CG2 4.17Å
272	T	97.5	Very high	95.2	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.025	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.8	175.2	71.2	0	0	0	0	110.2	I247 Q248 Y253 T289 F402	I247-T272 VanDerWaalsContact CA-O 3.31Å; I247-T272 WeakPolarHBondContact CA-O 3.24Å; Q248-T272 WeakPolarHBondContact CB-OG1 3.42Å; Q248-T272 PolarHBondContact N-O 3.37Å; Q248-T272 PolarHBondContact O-N 2.99Å; Q248-T272 PolarHBondContact O-OG1 3.16Å; Y253-T272 HydrophobicContact CD1-CG2 4.06Å; Y253-T272 HydrophobicContact CE1-CG2 4.1Å; T272-T289 HydrophobicContact CG2-CG2 4.18Å; T272-F402 HydrophobicContact CG2-CB 4.22Å
273	C	97.5	Very high	95.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129	176	-179.3	0	0	0	0	110	F198 I246 V287 R288	F198-C273 HydrophobicContact CD1-CB 4.2Å; F198-C273 HydrophobicContact CE1-CB 3.38Å; F198-C273 VanDerWaalsContact CE1-SG 3.52Å; F198-C273 HydrophobicContact CE2-CB 4.27Å; F198-C273 HydrophobicContact CZ-CB 3.43Å; F198-C273 VanDerWaalsContact CZ-CB 3.43Å; F198-C273 WeakPolarHBondContact CZ-SG 3.07Å; I246-C273 CarbonylContact O-C 3.45Å; I246-C273 WeakPolarHBondContact O-CA 3.44Å; C273-V287 VanDerWaalsContact O-CA 3.29Å; C273-V287 WeakPolarHBondContact O-CA 3.38Å; C273-R288 PolarHBondContact N-O 2.87Å; C273-R288 PolarHBondContact O-N 2.92Å
274	A	98	Very high	95.5	Very high	5 Å²	5	26 Å²	26	4%	0.041	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124	171.2	0	0	0	0	0	109.9	Y243 I246 F257 V287	Y243-A274 HydrophobicContact CE2-CB 4.43Å; Y243-A274 VanDerWaalsContact OH-C 3.3Å; I246-A274 HydrophobicContact CB-CB 4.27Å; I246-A274 PolarHBondContact N-O 3.36Å; I246-A274 PolarHBondContact O-N 3.47Å; F257-A274 HydrophobicContact CD1-CB 4.37Å; F257-A274 HydrophobicContact CE1-CB 3.94Å; A274-V287 HydrophobicContact CB-CB 4.47Å; A274-V287 HydrophobicContact CB-CG1 4.27Å; A274-V287 HydrophobicContact CB-CG2 3.79Å
275	M	97.6	Very high	95.8	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.3	174.5	59.9	173.7	142.2	0	0	111.1	V193 F194 F198 V221 Y243 P245 N285 L286	V193-M275 HydrophobicContact CG1-SD 3.92Å; F194-M275 VanDerWaalsContact CA-CE 3.5Å; F194-M275 HydrophobicContact CB-CE 3.65Å; F194-M275 HydrophobicContact CD2-CE 3.46Å; F194-M275 VanDerWaalsContact CD2-CE 3.46Å; F194-M275 HydrophobicContact CG-CE 3.98Å; F198-M275 HydrophobicContact CB-CE 3.59Å; F198-M275 HydrophobicContact CD1-CE 4.24Å; F198-M275 HydrophobicContact CG-CE 3.87Å; V221-M275 HydrophobicContact CG1-SD 3.64Å; Y243-M275 WeakPolarHBondContact OH-CA 3.38Å; Y243-M275 PolarHBondContact OH-N 3.49Å; P245-M275 HydrophobicContact CB-CB 4.29Å; P245-M275 HydrophobicContact CG-CB 4.48Å; M275-N285 PolarHBondContact O-OD1 2.71Å; M275-L286 PolarHBondContact N-O 3.47Å; M275-L286 PolarHBondContact O-N 3.34Å
276	G	97.1	Very high	96	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.			trans	-153.9	140.3	-179.8	0	0	0	0	0	111.5	C242 S284	C242-G276 WeakPolarHBondContact CB-O 3.38Å; C242-G276 PolarHBondContact N-O 2.91Å; C242-G276 VanDerWaalsContact SG-C 3.51Å; C242-G276 PolarHBondContact SG-O 2.87Å; G276-S284 CarbonylContact C-O 3.57Å; G276-S284 WeakPolarHBondContact CA-O 3.01Å
277	I	97.8	Very high	96.2	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.7	178	-61.8	-67.9	0	0	0	110.4	I189 T190 I225 V239 M241 C242 C283 S284	I189-I277 HydrophobicContact CB-CG1 4.38Å; I189-I277 HydrophobicContact CB-CG2 4.14Å; I189-I277 HydrophobicContact CG2-CB 4.44Å; I189-I277 HydrophobicContact CG2-CD1 4.34Å; I189-I277 HydrophobicContact CG2-CG1 3.95Å; I189-I277 HydrophobicContact CG2-CG2 4.01Å; T190-I277 VanDerWaalsContact OG1-CB 3.26Å; T190-I277 WeakPolarHBondContact OG1-CB 3.48Å; T190-I277 VanDerWaalsContact OG1-CG1 3.29Å; T190-I277 WeakPolarHBondContact OG1-CG1 3.41Å; T190-I277 PolarHBondContact OG1-N 2.79Å; I225-I277 HydrophobicContact CG2-CD1 3.55Å; V239-I277 HydrophobicContact CG1-CD1 4.23Å; V239-I277 HydrophobicContact CG1-CG2 3.65Å; M241-I277 HydrophobicContact CE-CD1 4.23Å; M241-I277 HydrophobicContact SD-CD1 3.79Å; C242-I277 PolarHBondContact SG-O 3.25Å; I277-C283 CarbonylContact O-C 3.57Å; I277-S284 PolarHBondContact O-N 3.25Å; I277-S284 PolarHBondContact O-OG 3.3Å
278	R	96.4	Very high	96.5	Very high	26 Å²	26	14.3 Å²	14.3	10%	0.098	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.8	168.4	-174	-179.8	-174.7	-139.1	8.2	108.6	E240 S281 Y282	E240-R278 HydrophobicContact CB-CB 4.33Å; E240-R278 PolarHBondContact N-O 3Å; E240-R278 PolarHBondContact O-N 3.22Å; E240-R278 IonicContact OE2-CZ 2.7Å; E240-R278 IonicContact OE2-NH1 3.47Å; E240-R278 PolarHBondContact OE2-NH1 2.85Å; R278-S281 PolarHBondContact NE-O 3.04Å; R278-Y282 CarbonylContact C-O 3.54Å; R278-Y282 WeakPolarHBondContact CA-O 3.46Å
279	F	96.2	Very high	96.8	Very high	19 Å²	19	12.1 Å²	12.1	8%	0.083	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.6	178	177.4	-110.7	0	0	0	109.9	L182 K185 A186 I189 A234 T238 V239 S281 Y282	L182-F279 HydrophobicContact CD2-CD1 4.03Å; L182-F279 HydrophobicContact CD2-CE1 3.72Å; K185-F279 HydrophobicContact CB-CD1 3.81Å; K185-F279 HydrophobicContact CB-CE1 3.89Å; K185-F279 HydrophobicContact CG-CD1 3.75Å; K185-F279 HydrophobicContact CG-CE1 3.57Å; K185-F279 HydrophobicContact CG-CE2 4.46Å; K185-F279 HydrophobicContact CG-CG 4.27Å; K185-F279 HydrophobicContact CG-CZ 3.95Å; A186-F279 HydrophobicContact CB-CB 3.79Å; I189-F279 HydrophobicContact CD1-CB 4.49Å; I189-F279 HydrophobicContact CD1-CD2 4.06Å; I189-F279 HydrophobicContact CD1-CG 4.37Å; A234-F279 HydrophobicContact CB-CD2 4.35Å; A234-F279 HydrophobicContact CB-CE2 3.81Å; T238-F279 WeakPolarHBondContact O-CA 3.29Å; T238-F279 WeakPolarHBondContact O-CD2 3.38Å; T238-F279 VanDerWaalsContact OG1-CE2 3.29Å; T238-F279 WeakPolarHBondContact OG1-CE2 3.25Å; V239-F279 HydrophobicContact CG2-CD2 3.97Å; F279-S281 PolarHBondContact O-N 3.37Å; F279-Y282 PolarHBondContact N-O 2.87Å; F279-Y282 PolarHBondContact O-N 2.91Å
280	K	93.2	Very high	97.1	Very high	119 Å²	119	11.2 Å²	11.2	52%	0.517	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	50.1	-176.3	-63.6	-175.3	173.8	-178.3	0	112.4	L182 T238 Y282	L182-K280 HydrophobicContact CD2-CB 4.31Å; L182-K280 HydrophobicContact CD2-CD 3.95Å; T238-K280 PolarHBondContact O-N 3.31Å; K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 WeakPolarHBondContact O-CD2 3.41Å; K280-Y282 PolarHBondContact O-N 3.41Å
281	S	93.4	Very high	97.2	Very high	32 Å²	32	10.9 Å²	10.9	22%	0.224	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-5.1	-178.3	-47.4	0	0	0	0	117.3	R278 F279 I354	R278-S281 PolarHBondContact NE-O 3.04Å; F279-S281 PolarHBondContact O-N 3.37Å; S281-I354 WeakPolarHBondContact O-CA 3.34Å
282	Y	97	Very high	97	Very high	11 Å²	11	11.3 Å²	11.3	4%	0.043	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.5	177.8	-75.7	-94.3	0	0	0	111.7	K175 E179 L182 M183 R278 F279 K280 I354	K175-Y282 HydrophobicContact CD-CE1 4.31Å; E179-Y282 HydrophobicContact CB-CD1 4.45Å; E179-Y282 HydrophobicContact CB-CE1 3.68Å; E179-Y282 VanDerWaalsContact CD-OH 3.26Å; E179-Y282 HydrophobicContact CG-CE1 4.02Å; E179-Y282 VanDerWaalsContact CG-OH 3.22Å; E179-Y282 WeakPolarHBondContact CG-OH 3.43Å; E179-Y282 WeakPolarHBondContact OE1-CE1 3.36Å; E179-Y282 PolarHBondContact OE1-OH 3.29Å; L182-Y282 HydrophobicContact CB-CD2 3.94Å; L182-Y282 HydrophobicContact CB-CG 4.08Å; L182-Y282 HydrophobicContact CD1-CD2 3.48Å; L182-Y282 VanDerWaalsContact CD1-CD2 3.48Å; L182-Y282 HydrophobicContact CD1-CE2 3.59Å; L182-Y282 HydrophobicContact CD1-CG 4.41Å; L182-Y282 HydrophobicContact CG-CD2 4.36Å; M183-Y282 HydrophobicContact CG-CD1 3.75Å; M183-Y282 HydrophobicContact CG-CG 4.18Å; M183-Y282 HydrophobicContact SD-CD1 4.17Å; R278-Y282 CarbonylContact C-O 3.54Å; R278-Y282 WeakPolarHBondContact CA-O 3.46Å; F279-Y282 PolarHBondContact N-O 2.87Å; F279-Y282 PolarHBondContact O-N 2.91Å; K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 WeakPolarHBondContact O-CD2 3.41Å; K280-Y282 PolarHBondContact O-N 3.41Å; Y282-I354 HydrophobicContact CD1-CG1 4.21Å; Y282-I354 HydrophobicContact CE1-CD1 4.44Å; Y282-I354 HydrophobicContact CE1-CG1 3.78Å; Y282-I354 HydrophobicContact CE2-CG1 4.26Å
283	C	98.1	Very high	96.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	151.9	-173.2	-59.7	0	0	0	0	112.7	M183 C242 I277 G353	M183-C283 WeakPolarHBondContact CE-O 3.37Å; C242-C283 VanDerWaalsContact SG-CB 3.6Å; I277-C283 CarbonylContact O-C 3.57Å; C283-G353 WeakPolarHBondContact CB-O 3.46Å; C283-G353 PolarHBondContact N-O 2.8Å
284	S	98.3	Very high	96.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.			trans	-136.9	167.7	163.9	58.8	0	0	0	0	108.6	A186 A187 T190 C242 G276 I277	A186-S284 WeakPolarHBondContact CB-OG 3.48Å; A186-S284 PolarHBondContact O-OG 2.93Å; A187-S284 PolarHBondContact N-OG 2.85Å; T190-S284 PolarHBondContact OG1-OG 3.46Å; C242-S284 PolarHBondContact SG-O 2.61Å; G276-S284 CarbonylContact C-O 3.57Å; G276-S284 WeakPolarHBondContact CA-O 3.01Å; I277-S284 PolarHBondContact O-N 3.25Å; I277-S284 PolarHBondContact O-OG 3.3Å
285	N	98.4	Very high	96.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.			trans	-153	143.7	-178.1	-166.1	45.5	0	0	0	111.6	Y243 F257 M275 M352 F356 S378 T406	Y243-N285 WeakPolarHBondContact CE1-OD1 3.26Å; Y243-N285 PolarHBondContact OH-OD1 3.25Å; F257-N285 WeakPolarHBondContact CE1-ND2 3.44Å; F257-N285 WeakPolarHBondContact CZ-ND2 3.4Å; M275-N285 PolarHBondContact O-OD1 2.71Å; N285-M352 HydrophobicContact CB-CE 3.91Å; N285-F356 HydrophobicContact CB-CE2 3.89Å; N285-S378 PolarHBondContact ND2-OG 3.39Å; N285-T406 PolarHBondContact N-OG1 2.94Å; N285-T406 PolarHBondContact O-N 2.96Å; N285-T406 PolarHBondContact O-OG1 2.82Å
286	L	98.4	Very high	95.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.1	174.9	177.8	71	0	0	0	108.7	T190 F194 M275 R288 V421	T190-L286 HydrophobicContact CG2-CB 3.47Å; T190-L286 VanDerWaalsContact CG2-CB 3.47Å; T190-L286 HydrophobicContact CG2-CD2 4.3Å; F194-L286 HydrophobicContact CB-CD2 3.44Å; F194-L286 VanDerWaalsContact CB-CD2 3.44Å; F194-L286 HydrophobicContact CD1-CD2 4.22Å; F194-L286 HydrophobicContact CD2-CD2 3.69Å; F194-L286 HydrophobicContact CG-CD2 3.5Å; F194-L286 VanDerWaalsContact CG-CD2 3.5Å; M275-L286 PolarHBondContact N-O 3.47Å; M275-L286 PolarHBondContact O-N 3.34Å; L286-R288 HydrophobicContact CD1-CG 4.27Å; L286-R288 VanDerWaalsContact CD1-CZ 3.42Å; L286-R288 VanDerWaalsContact CD1-NH1 3.29Å; L286-R288 HydrophobicContact CG-CG 4.36Å; L286-V421 HydrophobicContact CD1-CB 4.18Å; L286-V421 HydrophobicContact CD1-CG2 4.18Å; L286-V421 HydrophobicContact CD2-CB 4.37Å; L286-V421 HydrophobicContact CD2-CG2 3.8Å
287	V	98.4	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.4	171.5	-176.2	0	0	0	0	109	F257 C273 A274 F402 I403 G404	F257-V287 HydrophobicContact CE1-CG2 3.9Å; F257-V287 HydrophobicContact CZ-CG2 3.95Å; C273-V287 VanDerWaalsContact O-CA 3.29Å; C273-V287 WeakPolarHBondContact O-CA 3.38Å; A274-V287 HydrophobicContact CB-CB 4.47Å; A274-V287 HydrophobicContact CB-CG1 4.27Å; A274-V287 HydrophobicContact CB-CG2 3.79Å; V287-F402 HydrophobicContact CB-CD1 4.48Å; V287-F402 HydrophobicContact CG1-CB 3.98Å; V287-F402 HydrophobicContact CG1-CD1 3.23Å; V287-F402 HydrophobicContact CG1-CD2 4.2Å; V287-F402 HydrophobicContact CG1-CE1 3.64Å; V287-F402 HydrophobicContact CG1-CG 3.52Å; V287-F402 HydrophobicContact CG1-CZ 4.28Å; V287-F402 HydrophobicContact CG2-CE1 4.18Å; V287-F402 HydrophobicContact CG2-CZ 4.45Å; V287-I403 WeakPolarHBondContact O-CA 3.33Å; V287-G404 PolarHBondContact N-O 3.2Å; V287-G404 PolarHBondContact O-N 3.38Å
288	R	97.7	Very high	95.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.8	175.4	-67.3	-66.4	-179.7	-92.7	4.8	110.1	F194 C273 L286 F402 G404 D405 V421	F194-R288 HydrophobicContact CE1-CG 4.19Å; F194-R288 HydrophobicContact CE2-CB 3.64Å; F194-R288 HydrophobicContact CE2-CG 3.85Å; F194-R288 HydrophobicContact CZ-CB 3.56Å; F194-R288 HydrophobicContact CZ-CG 3.66Å; C273-R288 PolarHBondContact N-O 2.87Å; C273-R288 PolarHBondContact O-N 2.92Å; L286-R288 HydrophobicContact CD1-CG 4.27Å; L286-R288 VanDerWaalsContact CD1-CZ 3.42Å; L286-R288 VanDerWaalsContact CD1-NH1 3.29Å; L286-R288 HydrophobicContact CG-CG 4.36Å; R288-F402 CarbonylContact C-O 3.58Å; R288-G404 PolarHBondContact NH1-O 3.36Å; R288-D405 IonicContact CZ-OD1 3.54Å; R288-D405 IonicContact CZ-OD2 3.85Å; R288-D405 IonicContact NH1-OD1 3.75Å; R288-D405 PolarHBondContact NH1-OD1 3.39Å; R288-D405 VanDerWaalsContact NH1-OD1 3.07Å; R288-D405 IonicContact NH1-OD2 3.17Å; R288-D405 PolarHBondContact NH1-OD2 2.9Å; R288-D405 IonicContact NH2-OD1 2.62Å; R288-D405 PolarHBondContact NH2-OD1 2.9Å; R288-D405 IonicContact NH2-OD2 3.72Å; R288-D405 PolarHBondContact NH2-OD2 3.48Å; R288-V421 PolarHBondContact NH2-O 2.75Å
289	T	98.1	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.5	165.3	-56.2	0	0	0	0	107.5	A270 I271 T272 M291 L401 F402 V428	A270-T289 HydrophobicContact CB-CG2 4.09Å; I271-T289 CarbonylContact O-C 3.57Å; I271-T289 VanDerWaalsContact O-CA 3.31Å; I271-T289 WeakPolarHBondContact O-CA 3.28Å; T272-T289 HydrophobicContact CG2-CG2 4.18Å; T289-M291 HydrophobicContact CG2-CG 3.95Å; T289-L401 HydrophobicContact CG2-CD2 4.06Å; T289-F402 PolarHBondContact N-O 2.87Å; T289-F402 PolarHBondContact OG1-N 3.28Å; T289-F402 PolarHBondContact OG1-O 3.26Å; T289-F402 VanDerWaalsContact OG1-O 3.06Å; T289-V428 WeakPolarHBondContact O-CB 3.35Å
290	L	97.7	Very high	95.6	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.7	164	-59.9	178.4	0	0	0	107.6	F194 F198 K199 V202 I271 V428	F194-L290 HydrophobicContact CZ-CD2 4.24Å; F198-L290 HydrophobicContact CE1-CD1 4.01Å; K199-L290 HydrophobicContact CG-CD1 4.45Å; V202-L290 HydrophobicContact CB-CD1 3.94Å; V202-L290 HydrophobicContact CG1-CD1 3.79Å; V202-L290 HydrophobicContact CG2-CD1 4.21Å; I271-L290 HydrophobicContact CB-CB 4.48Å; I271-L290 PolarHBondContact N-O 2.85Å; I271-L290 PolarHBondContact O-N 3.27Å; L290-V428 CarbonylContact C-O 3.53Å; L290-V428 WeakPolarHBondContact CA-O 3.25Å; L290-V428 HydrophobicContact CD2-CB 4.05Å; L290-V428 HydrophobicContact CD2-CG1 4.18Å
291	M	96.4	Very high	95.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.8	-174.8	-63.1	174.2	-69.8	0	0	109.2	G269 T289 P294 V298 Y302 L401 V425 V428 G429 I430	G269-M291 CarbonylContact O-C 3.48Å; G269-M291 VanDerWaalsContact O-CA 3.25Å; G269-M291 WeakPolarHBondContact O-CA 3.47Å; T289-M291 HydrophobicContact CG2-CG 3.95Å; M291-P294 HydrophobicContact CB-CB 3.84Å; M291-P294 HydrophobicContact CB-CG 3.82Å; M291-P294 HydrophobicContact SD-CB 4.2Å; M291-V298 HydrophobicContact SD-CG1 3.74Å; M291-Y302 HydrophobicContact CE-CD1 3.88Å; M291-Y302 HydrophobicContact CE-CD2 3.95Å; M291-Y302 HydrophobicContact CE-CE1 4.21Å; M291-Y302 HydrophobicContact CE-CE2 4.3Å; M291-Y302 HydrophobicContact CE-CG 3.72Å; M291-Y302 HydrophobicContact SD-CD2 4.1Å; M291-Y302 HydrophobicContact SD-CG 4.14Å; M291-L401 HydrophobicContact SD-CD2 4.02Å; M291-V425 HydrophobicContact CE-CG2 4.45Å; M291-V428 HydrophobicContact CE-CG2 3.74Å; M291-V428 PolarHBondContact N-O 3.45Å; M291-G429 CarbonylContact O-C 3.56Å; M291-G429 VanDerWaalsContact O-CA 3.29Å; M291-G429 WeakPolarHBondContact O-CA 3.38Å; M291-I430 PolarHBondContact O-N 3.49Å
292	V	94.3	Very high	96	Very high	8 Å²	8	24.5 Å²	24.5	5%	0.048	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	171.6	-168.5	0	0	0	0	108.2	V206 F268 G269 I271 I430 L432	V206-V292 HydrophobicContact CG1-CG1 4.09Å; V206-V292 HydrophobicContact CG1-CG2 4.29Å; V206-V292 HydrophobicContact CG2-CG2 3.84Å; F268-V292 HydrophobicContact CB-CB 4.02Å; F268-V292 HydrophobicContact CB-CG1 4.12Å; F268-V292 HydrophobicContact CB-CG2 4.05Å; G269-V292 PolarHBondContact O-N 2.96Å; I271-V292 HydrophobicContact CD1-CG2 4.17Å; V292-I430 CarbonylContact C-O 3.57Å; V292-I430 WeakPolarHBondContact CA-O 3.23Å; V292-I430 HydrophobicContact CG2-CB 4.38Å; V292-I430 HydrophobicContact CG2-CD1 4.19Å; V292-L432 HydrophobicContact CG1-CD1 3.59Å; V292-L432 HydrophobicContact CG1-CG 3.81Å
293	D	90.5	Very high	96	Very high	76 Å²	76	27.8 Å²	27.8	41%	0.406	14%	0.139	S	C	.	.	S	Bend	trans	39.5	58.2	-175.2	-61.4	-41.3	0	0	0	114.6	S295 I430 F431 L432	D293-S295 PolarHBondContact O-N 3.48Å; D293-I430 PolarHBondContact N-O 2.84Å; D293-F431 VanDerWaalsContact OD1-CA 3.26Å; D293-F431 WeakPolarHBondContact OD1-CA 3.39Å; D293-L432 PolarHBondContact OD1-N 3.35Å; D293-L432 WeakPolarHBondContact OD2-CB 3.28Å; D293-L432 WeakPolarHBondContact OD2-CD1 3.3Å; D293-L432 WeakPolarHBondContact OD2-CG 3.33Å
294	P	93	Very high	96	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.065	14%	0.141	C	C	.	.			trans	-67.5	124.9	179.1	26.7	-31.6	0	0	0	111	M291 V298 Q299 F431	M291-P294 HydrophobicContact CB-CB 3.84Å; M291-P294 HydrophobicContact CB-CG 3.82Å; M291-P294 HydrophobicContact SD-CB 4.2Å; P294-V298 HydrophobicContact CB-CB 4.09Å; P294-V298 HydrophobicContact CB-CG1 3.88Å; P294-Q299 HydrophobicContact CB-CG 3.84Å; P294-Q299 HydrophobicContact CG-CG 3.89Å; P294-Q299 PolarHBondContact O-NE2 3.02Å; P294-F431 HydrophobicContact CG-CE1 4.08Å; P294-F431 HydrophobicContact CG-CZ 4.12Å
295	S	91.3	Very high	96	Very high	18 Å²	18	28.2 Å²	28.2	13%	0.126	14%	0.141	C	C	.	.			trans	-60	161.1	169.2	76	0	0	0	0	112	D293 E297 V298 Q299 E390	D293-S295 PolarHBondContact O-N 3.48Å; S295-E297 PolarHBondContact O-N 2.97Å; S295-V298 WeakPolarHBondContact O-CB 3.39Å; S295-V298 PolarHBondContact O-N 2.62Å; S295-Q299 WeakPolarHBondContact O-CG 3.4Å; S295-Q299 PolarHBondContact O-N 2.85Å; S295-E390 WeakPolarHBondContact CB-OE2 3.39Å
296	Q	92.4	Very high	96	Very high	144 Å²	144	29 Å²	29	67%	0.673	15%	0.145	S	C	*	.	H	α-helix	trans	-55.4	-38.8	-178.5	-170.1	174.6	10.9	0	0	112.3	V298 Q299 E300	Q296-V298 PolarHBondContact O-N 3.45Å; Q296-Q299 PolarHBondContact O-N 3.34Å; Q296-E300 WeakPolarHBondContact O-CB 3.16Å; Q296-E300 WeakPolarHBondContact O-CG 3.42Å; Q296-E300 PolarHBondContact O-N 2.82Å
297	E	93.2	Very high	96	Very high	71 Å²	71	32.5 Å²	32.5	33%	0.332	16%	0.162	S	C	.	.	H	α-helix	trans	-63.5	-39.6	177.2	-174.8	172.1	-176.7	0	0	112.1	S295 N301 K389	S295-E297 PolarHBondContact O-N 2.97Å; E297-N301 WeakPolarHBondContact O-CB 3.49Å; E297-N301 PolarHBondContact O-N 3.13Å; E297-N301 PolarHBondContact O-ND2 2.91Å; E297-K389 IonicContact OE1-NZ 3.69Å; E297-K389 PolarHBondContact OE1-NZ 2.9Å; E297-K389 IonicContact OE2-NZ 3.41Å; E297-K389 PolarHBondContact OE2-NZ 3.41Å
298	V	94.5	Very high	96	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-45.4	175.9	177.7	0	0	0	0	110.2	M291 P294 S295 Q296 E300 N301 Y302 Y399 L401	M291-V298 HydrophobicContact SD-CG1 3.74Å; P294-V298 HydrophobicContact CB-CB 4.09Å; P294-V298 HydrophobicContact CB-CG1 3.88Å; S295-V298 WeakPolarHBondContact O-CB 3.39Å; S295-V298 PolarHBondContact O-N 2.62Å; Q296-V298 PolarHBondContact O-N 3.45Å; V298-E300 PolarHBondContact O-N 2.95Å; V298-N301 PolarHBondContact O-N 3.48Å; V298-Y302 WeakPolarHBondContact O-CB 3.27Å; V298-Y302 PolarHBondContact O-N 3.04Å; V298-Y399 HydrophobicContact CB-CE2 4.32Å; V298-Y399 HydrophobicContact CG1-CD2 4.34Å; V298-Y399 HydrophobicContact CG1-CE2 3.93Å; V298-Y399 HydrophobicContact CG2-CD2 4.49Å; V298-Y399 HydrophobicContact CG2-CE1 4.04Å; V298-Y399 HydrophobicContact CG2-CE2 3.97Å; V298-L401 HydrophobicContact CG1-CD2 4.29Å
299	Q	96.3	Very high	96	Very high	53 Å²	53	32.4 Å²	32.4	25%	0.248	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-43	178.2	-63	-176.2	47.1	0	0	111.9	P294 S295 Q296 Y302 N303 V425	P294-Q299 HydrophobicContact CB-CG 3.84Å; P294-Q299 HydrophobicContact CG-CG 3.89Å; P294-Q299 PolarHBondContact O-NE2 3.02Å; S295-Q299 WeakPolarHBondContact O-CG 3.4Å; S295-Q299 PolarHBondContact O-N 2.85Å; Q296-Q299 PolarHBondContact O-N 3.34Å; Q299-Y302 PolarHBondContact O-N 3.23Å; Q299-N303 WeakPolarHBondContact O-CB 3.26Å; Q299-N303 PolarHBondContact O-N 3.11Å; Q299-N303 PolarHBondContact O-ND2 2.94Å; Q299-V425 HydrophobicContact CB-CG1 4.46Å; Q299-V425 HydrophobicContact CG-CG1 3.99Å
300	E	96.6	Very high	95.9	Very high	97 Å²	97	38.3 Å²	38.3	45%	0.453	19%	0.189	S	C	.	.	H	α-helix	trans	-62.2	-43.4	175.9	-76.3	178.5	-171.3	0	0	112.6	Q296 V298 Y302 N303 F304	Q296-E300 WeakPolarHBondContact O-CB 3.16Å; Q296-E300 WeakPolarHBondContact O-CG 3.42Å; Q296-E300 PolarHBondContact O-N 2.82Å; V298-E300 PolarHBondContact O-N 2.95Å; E300-Y302 VanDerWaalsContact C-N 3.31Å; E300-Y302 PolarHBondContact O-N 2.84Å; E300-N303 PolarHBondContact O-N 3Å; E300-F304 WeakPolarHBondContact O-CB 3.41Å; E300-F304 PolarHBondContact O-N 3.36Å
301	N	96.9	Very high	95.9	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.053	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-35.9	176.9	-74	-24.7	0	0	0	111.9	E297 V298 L305 K337 Y399 L401	E297-N301 WeakPolarHBondContact O-CB 3.49Å; E297-N301 PolarHBondContact O-N 3.13Å; E297-N301 PolarHBondContact O-ND2 2.91Å; V298-N301 PolarHBondContact O-N 3.48Å; N301-L305 PolarHBondContact O-N 3.41Å; N301-K337 PolarHBondContact OD1-NZ 3.44Å; N301-Y399 PolarHBondContact ND2-OH 2.81Å; N301-L401 HydrophobicContact CB-CD1 3.8Å
302	Y	98	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-44.6	174.9	-172.1	-94	0	0	0	112.3	M291 V298 Q299 E300 F304 L305 L306 L401 I403 K423 V425 V428	M291-Y302 HydrophobicContact CE-CD1 3.88Å; M291-Y302 HydrophobicContact CE-CD2 3.95Å; M291-Y302 HydrophobicContact CE-CE1 4.21Å; M291-Y302 HydrophobicContact CE-CE2 4.3Å; M291-Y302 HydrophobicContact CE-CG 3.72Å; M291-Y302 HydrophobicContact SD-CD2 4.1Å; M291-Y302 HydrophobicContact SD-CG 4.14Å; V298-Y302 WeakPolarHBondContact O-CB 3.27Å; V298-Y302 PolarHBondContact O-N 3.04Å; Q299-Y302 PolarHBondContact O-N 3.23Å; E300-Y302 VanDerWaalsContact C-N 3.31Å; E300-Y302 PolarHBondContact O-N 2.84Å; Y302-F304 VanDerWaalsContact C-N 3.3Å; Y302-F304 PolarHBondContact O-N 2.87Å; Y302-L305 WeakPolarHBondContact O-CB 3.43Å; Y302-L305 PolarHBondContact O-N 2.86Å; Y302-L305 VanDerWaalsContact O-N 3.09Å; Y302-L306 HydrophobicContact CD1-CD1 4.05Å; Y302-L306 HydrophobicContact CD1-CG 4.22Å; Y302-L306 HydrophobicContact CE1-CD1 3.79Å; Y302-L306 HydrophobicContact CE1-CD2 4.16Å; Y302-L306 HydrophobicContact CE1-CG 3.97Å; Y302-L306 PolarHBondContact O-N 2.96Å; Y302-L401 HydrophobicContact CD2-CB 4.42Å; Y302-L401 HydrophobicContact CD2-CD1 4.36Å; Y302-L401 HydrophobicContact CD2-CD2 4.11Å; Y302-I403 HydrophobicContact CE2-CG2 3.74Å; Y302-K423 WeakPolarHBondContact CE1-O 3.47Å; Y302-K423 PolarHBondContact OH-O 3.48Å; Y302-K423 VanDerWaalsContact OH-O 3.09Å; Y302-V425 HydrophobicContact CD1-CG2 3.68Å; Y302-V425 HydrophobicContact CE1-CG2 4.32Å; Y302-V428 HydrophobicContact CE1-CG2 3.83Å
303	N	98	Very high	96.1	Very high	79 Å²	79	41.1 Å²	41.1	42%	0.422	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-38.7	174.3	-77.1	-37.3	0	0	0	112	Q299 E300 L305 L306 Q307 V425	Q299-N303 WeakPolarHBondContact O-CB 3.26Å; Q299-N303 PolarHBondContact O-N 3.11Å; Q299-N303 PolarHBondContact O-ND2 2.94Å; E300-N303 PolarHBondContact O-N 3Å; N303-L305 VanDerWaalsContact C-N 3.35Å; N303-L306 WeakPolarHBondContact O-CB 3.5Å; N303-L306 PolarHBondContact O-N 2.91Å; N303-Q307 PolarHBondContact O-N 3.42Å; N303-V425 WeakPolarHBondContact OD1-CG2 3.33Å
304	F	98.2	Very high	96.3	Very high	10 Å²	10	42.5 Å²	42.5	4%	0.044	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-40.6	172.7	-174.4	-117.5	0	0	0	112	E300 Y302 L306 Q307 L308 V332 Q336 K337 L340 F383	E300-F304 WeakPolarHBondContact O-CB 3.41Å; E300-F304 PolarHBondContact O-N 3.36Å; Y302-F304 VanDerWaalsContact C-N 3.3Å; Y302-F304 PolarHBondContact O-N 2.87Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 3.23Å; F304-Q307 WeakPolarHBondContact O-CB 3.28Å; F304-Q307 PolarHBondContact O-N 2.97Å; F304-L308 HydrophobicContact CD1-CD1 4.2Å; F304-L308 HydrophobicContact CE1-CD1 3.88Å; F304-L308 HydrophobicContact CE1-CD2 4.33Å; F304-L308 HydrophobicContact CE1-CG 4.23Å; F304-L308 HydrophobicContact CE2-CD2 4.4Å; F304-L308 HydrophobicContact CZ-CD1 4.38Å; F304-L308 HydrophobicContact CZ-CD2 3.98Å; F304-L308 HydrophobicContact CZ-CG 4.29Å; F304-L308 WeakPolarHBondContact O-CG 3.38Å; F304-L308 PolarHBondContact O-N 2.84Å; F304-V332 HydrophobicContact CE2-CG1 4.47Å; F304-Q336 HydrophobicContact CE2-CB 3.75Å; F304-Q336 HydrophobicContact CE2-CG 4.49Å; F304-Q336 HydrophobicContact CZ-CB 4.03Å; F304-K337 HydrophobicContact CD1-CB 4.26Å; F304-K337 HydrophobicContact CD1-CD 3.9Å; F304-K337 HydrophobicContact CD1-CG 4.26Å; F304-K337 HydrophobicContact CE1-CB 3.7Å; F304-K337 HydrophobicContact CE1-CD 4.21Å; F304-K337 HydrophobicContact CE1-CG 4.09Å; F304-K337 HydrophobicContact CE2-CG 4.46Å; F304-K337 HydrophobicContact CG-CD 4.1Å; F304-K337 HydrophobicContact CZ-CB 3.94Å; F304-K337 HydrophobicContact CZ-CG 4.19Å; F304-L340 HydrophobicContact CD1-CD1 3.88Å; F304-L340 HydrophobicContact CE1-CD1 4.17Å; F304-F383 HydrophobicContact CD1-CE2 4.05Å; F304-F383 AromaticContact CD1-CZ 3.89Å; F304-F383 HydrophobicContact CD1-CZ 3.89Å; F304-F383 HydrophobicContact CE1-CZ 4.05Å
305	L	98	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-39.3	175.3	-171.2	63.8	0	0	0	112.1	N301 Y302 N303 L308 Q309 L381 F383 L401 I403	N301-L305 PolarHBondContact O-N 3.41Å; Y302-L305 WeakPolarHBondContact O-CB 3.43Å; Y302-L305 PolarHBondContact O-N 2.86Å; Y302-L305 VanDerWaalsContact O-N 3.09Å; N303-L305 VanDerWaalsContact C-N 3.35Å; L305-L308 PolarHBondContact O-N 3.37Å; L305-Q309 PolarHBondContact O-N 2.83Å; L305-Q309 VanDerWaalsContact O-N 3.16Å; L305-L381 HydrophobicContact CD1-CB 3.78Å; L305-F383 HydrophobicContact CB-CD2 4.25Å; L305-F383 HydrophobicContact CB-CE2 3.96Å; L305-F383 HydrophobicContact CD1-CD2 3.91Å; L305-F383 HydrophobicContact CD1-CE2 3.73Å; L305-F383 HydrophobicContact CD1-CZ 4.35Å; L305-F383 HydrophobicContact CG-CD2 4.45Å; L305-F383 HydrophobicContact CG-CE2 4.38Å; L305-L401 HydrophobicContact CD2-CB 3.78Å; L305-I403 HydrophobicContact CB-CD1 4.4Å; L305-I403 HydrophobicContact CD2-CD1 4.15Å; L305-I403 HydrophobicContact CD2-CG1 3.91Å; L305-I403 HydrophobicContact CD2-CG2 4.2Å; L305-I403 HydrophobicContact CG-CD1 3.69Å; L305-I403 HydrophobicContact CG-CG1 3.86Å; L305-I403 WeakPolarHBondContact O-CD1 3.22Å
306	L	97.8	Very high	96.7	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-45	173	-67	177	0	0	0	111.8	Y302 N303 F304 L308 Q309 E310 I403 K423	Y302-L306 HydrophobicContact CD1-CD1 4.05Å; Y302-L306 HydrophobicContact CD1-CG 4.22Å; Y302-L306 HydrophobicContact CE1-CD1 3.79Å; Y302-L306 HydrophobicContact CE1-CD2 4.16Å; Y302-L306 HydrophobicContact CE1-CG 3.97Å; Y302-L306 PolarHBondContact O-N 2.96Å; N303-L306 WeakPolarHBondContact O-CB 3.5Å; N303-L306 PolarHBondContact O-N 2.91Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 3.23Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.19Å; L306-Q309 WeakPolarHBondContact O-CB 3.26Å; L306-Q309 PolarHBondContact O-N 2.97Å; L306-Q309 VanDerWaalsContact O-N 3.13Å; L306-E310 PolarHBondContact O-N 2.89Å; L306-I403 HydrophobicContact CD2-CD1 3.89Å; L306-K423 HydrophobicContact CD2-CB 4.18Å; L306-K423 HydrophobicContact CD2-CD 3.7Å; L306-K423 HydrophobicContact CD2-CG 3.71Å
307	Q	98	Very high	96.8	Very high	76 Å²	76	39.7 Å²	39.7	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-59.2	-41.5	176.5	-176.6	-172	7.9	0	0	112.1	N303 F304 Q309 E310 E311	N303-Q307 PolarHBondContact O-N 3.42Å; F304-Q307 WeakPolarHBondContact O-CB 3.28Å; F304-Q307 PolarHBondContact O-N 2.97Å; Q307-Q309 VanDerWaalsContact C-N 3.3Å; Q307-Q309 PolarHBondContact O-N 2.93Å; Q307-E310 PolarHBondContact O-N 2.83Å; Q307-E311 PolarHBondContact O-N 2.87Å
308	L	98.1	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-37.1	176.3	-65.6	177.5	0	0	0	112.2	F304 L305 L306 E311 L312 V329 V332 V333 I344 L381 F383	F304-L308 HydrophobicContact CD1-CD1 4.2Å; F304-L308 HydrophobicContact CE1-CD1 3.88Å; F304-L308 HydrophobicContact CE1-CD2 4.33Å; F304-L308 HydrophobicContact CE1-CG 4.23Å; F304-L308 HydrophobicContact CE2-CD2 4.4Å; F304-L308 HydrophobicContact CZ-CD1 4.38Å; F304-L308 HydrophobicContact CZ-CD2 3.98Å; F304-L308 HydrophobicContact CZ-CG 4.29Å; F304-L308 WeakPolarHBondContact O-CG 3.38Å; F304-L308 PolarHBondContact O-N 2.84Å; L305-L308 PolarHBondContact O-N 3.37Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.19Å; L308-E311 PolarHBondContact O-N 2.81Å; L308-L312 PolarHBondContact O-N 3.29Å; L308-V329 HydrophobicContact CB-CG1 4.14Å; L308-V329 HydrophobicContact CD2-CG1 4.17Å; L308-V332 HydrophobicContact CD2-CB 3.93Å; L308-V332 HydrophobicContact CD2-CG1 3.63Å; L308-V333 HydrophobicContact CD1-CG2 3.58Å; L308-V333 HydrophobicContact CD2-CG2 3.64Å; L308-V333 HydrophobicContact CG-CG2 4.28Å; L308-I344 HydrophobicContact CD1-CD1 3.99Å; L308-L381 HydrophobicContact CB-CD2 4.04Å; L308-F383 HydrophobicContact CD1-CE2 4.32Å; L308-F383 HydrophobicContact CD1-CZ 3.68Å
309	Q	97.6	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-38.2	175.5	-166.8	-174	25.9	0	0	111.7	L305 L306 Q307 L312 L313 I379 L381 I403 D405	L305-Q309 PolarHBondContact O-N 2.83Å; L305-Q309 VanDerWaalsContact O-N 3.16Å; L306-Q309 WeakPolarHBondContact O-CB 3.26Å; L306-Q309 PolarHBondContact O-N 2.97Å; L306-Q309 VanDerWaalsContact O-N 3.13Å; Q307-Q309 VanDerWaalsContact C-N 3.3Å; Q307-Q309 PolarHBondContact O-N 2.93Å; Q309-L312 WeakPolarHBondContact O-CB 3.33Å; Q309-L312 PolarHBondContact O-N 2.98Å; Q309-L313 VanDerWaalsContact O-CG 3.3Å; Q309-L313 WeakPolarHBondContact O-CG 3.48Å; Q309-L313 PolarHBondContact O-N 3.32Å; Q309-I379 HydrophobicContact CG-CD1 3.72Å; Q309-L381 HydrophobicContact CB-CD1 4.1Å; Q309-L381 HydrophobicContact CG-CD1 3.94Å; Q309-I403 HydrophobicContact CB-CD1 3.9Å; Q309-I403 HydrophobicContact CG-CD1 4.4Å; Q309-D405 PolarHBondContact NE2-OD2 2.79Å
310	E	96.9	Very high	97	Very high	124 Å²	124	40.3 Å²	40.3	58%	0.579	20%	0.198	S	C	*	.	H	α-helix	trans	-63.3	-43.5	174.8	-70.4	177.6	177.3	0	0	112.1	L306 Q307 L312 L313 K314	L306-E310 PolarHBondContact O-N 2.89Å; Q307-E310 PolarHBondContact O-N 2.83Å; E310-L312 VanDerWaalsContact C-N 3.31Å; E310-L312 PolarHBondContact O-N 3.33Å; E310-L313 PolarHBondContact O-N 3.34Å; E310-K314 PolarHBondContact O-N 2.92Å; E310-K314 VanDerWaalsContact O-N 3.1Å
311	E	97.3	Very high	97	Very high	51 Å²	51	39.2 Å²	39.2	24%	0.238	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-38.5	175.2	-168.6	64.4	-156.3	0	0	111.4	Q307 L308 K314 E315 V332	Q307-E311 PolarHBondContact O-N 2.87Å; L308-E311 PolarHBondContact O-N 2.81Å; E311-K314 PolarHBondContact O-N 3.35Å; E311-K314 IonicContact OE1-NZ 3.36Å; E311-K314 PolarHBondContact OE1-NZ 3.49Å; E311-K314 IonicContact OE2-NZ 3.5Å; E311-K314 PolarHBondContact OE2-NZ 3.14Å; E311-E315 PolarHBondContact O-N 3.35Å; E311-E315 VanDerWaalsContact O-N 3.17Å; E311-V332 HydrophobicContact CG-CG2 4.04Å
312	L	97.8	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-48.9	174	-172	155	0	0	0	111.5	L308 Q309 E310 K314 E315 L316 V325 V329 L348 I379 L381	L308-L312 PolarHBondContact O-N 3.29Å; Q309-L312 WeakPolarHBondContact O-CB 3.33Å; Q309-L312 PolarHBondContact O-N 2.98Å; E310-L312 VanDerWaalsContact C-N 3.31Å; E310-L312 PolarHBondContact O-N 3.33Å; L312-K314 VanDerWaalsContact C-N 3.26Å; L312-K314 PolarHBondContact O-N 3.02Å; L312-E315 PolarHBondContact O-N 2.77Å; L312-E315 VanDerWaalsContact O-N 3.15Å; L312-L316 HydrophobicContact CD2-CB 4.41Å; L312-L316 HydrophobicContact CD2-CD1 4.41Å; L312-L316 WeakPolarHBondContact O-CB 3.43Å; L312-L316 PolarHBondContact O-N 3.17Å; L312-V325 HydrophobicContact CG-CG1 4.05Å; L312-V329 HydrophobicContact CB-CG2 3.7Å; L312-V329 HydrophobicContact CD1-CG2 4.36Å; L312-V329 HydrophobicContact CG-CG2 4.23Å; L312-L348 HydrophobicContact CD1-CB 3.58Å; L312-L348 HydrophobicContact CD1-CD1 4.06Å; L312-L348 HydrophobicContact CD1-CG 4.43Å; L312-I379 HydrophobicContact CD2-CB 4Å; L312-I379 HydrophobicContact CD2-CD1 4.06Å; L312-I379 HydrophobicContact CD2-CG2 3.41Å; L312-I379 VanDerWaalsContact CD2-CG2 3.41Å; L312-L381 HydrophobicContact CD1-CD1 3.98Å; L312-L381 HydrophobicContact CD1-CD2 4.16Å; L312-L381 HydrophobicContact CD1-CG 4.34Å
313	L	96.9	Very high	97	Very high	19 Å²	19	39 Å²	39	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-38.1	-179	-74.2	170.2	0	0	0	112.1	Q309 E310 L316 I379 V407 P414 A415 V417	Q309-L313 VanDerWaalsContact O-CG 3.3Å; Q309-L313 WeakPolarHBondContact O-CG 3.48Å; Q309-L313 PolarHBondContact O-N 3.32Å; E310-L313 PolarHBondContact O-N 3.34Å; L313-L316 PolarHBondContact O-N 2.88Å; L313-I379 HydrophobicContact CD2-CD1 3.68Å; L313-I379 HydrophobicContact CG-CD1 4.04Å; L313-V407 HydrophobicContact CD2-CB 4.25Å; L313-V407 HydrophobicContact CD2-CG1 3.67Å; L313-P414 WeakPolarHBondContact O-CA 3.27Å; L313-A415 HydrophobicContact CD2-CB 4.11Å; L313-A415 PolarHBondContact O-N 3.3Å; L313-V417 HydrophobicContact CD1-CG2 3.93Å; L313-V417 HydrophobicContact CD2-CG2 4.05Å
314	K	95.9	Very high	97	Very high	105 Å²	105	38.7 Å²	38.7	46%	0.457	19%	0.189	S	C	.	.	H	α-helix	trans	-65	-38.1	176.1	177.3	-173.3	160.8	-149.5	0	113	E310 E311 L312 R317	E310-K314 PolarHBondContact O-N 2.92Å; E310-K314 VanDerWaalsContact O-N 3.1Å; E311-K314 PolarHBondContact O-N 3.35Å; E311-K314 IonicContact OE1-NZ 3.36Å; E311-K314 PolarHBondContact OE1-NZ 3.49Å; E311-K314 IonicContact OE2-NZ 3.5Å; E311-K314 PolarHBondContact OE2-NZ 3.14Å; L312-K314 VanDerWaalsContact C-N 3.26Å; L312-K314 PolarHBondContact O-N 3.02Å; K314-R317 PolarHBondContact O-NH1 3.49Å
315	E	95.6	Very high	97	Very high	31 Å²	31	38.2 Å²	38.2	15%	0.145	19%	0.187	C	C	.	.	H	α-helix	trans	-82.5	-19.5	178.4	-67.5	-54.3	119.6	0	0	113.8	E311 L312 R317 V325 A328	E311-E315 PolarHBondContact O-N 3.35Å; E311-E315 VanDerWaalsContact O-N 3.17Å; L312-E315 PolarHBondContact O-N 2.77Å; L312-E315 VanDerWaalsContact O-N 3.15Å; E315-R317 PolarHBondContact O-N 3.46Å; E315-R317 IonicContact OE1-CZ 3.34Å; E315-R317 IonicContact OE1-NH1 2.79Å; E315-R317 PolarHBondContact OE1-NH1 3.15Å; E315-R317 IonicContact OE1-NH2 3.93Å; E315-R317 IonicContact OE2-CZ 3.81Å; E315-R317 IonicContact OE2-NH1 2.71Å; E315-R317 PolarHBondContact OE2-NH1 3.21Å; E315-R317 VanDerWaalsContact OE2-NH1 3.09Å; E315-R317 IonicContact OE2-NH2 3.97Å; E315-R317 PolarHBondContact OE2-NH2 3.26Å; E315-V325 HydrophobicContact CB-CB 4.36Å; E315-V325 HydrophobicContact CB-CG1 4.08Å; E315-V325 HydrophobicContact CB-CG2 4.14Å; E315-V325 WeakPolarHBondContact O-CG2 3.31Å; E315-A328 HydrophobicContact CG-CB 3.81Å
316	L	95.9	Very high	97	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.194	C	C	.	.			trans	-77.2	59.2	-179	-157	84.7	0	0	0	113.2	L312 L313 V325 I363 L371 F377 I379 V407 V409 A415	L312-L316 HydrophobicContact CD2-CB 4.41Å; L312-L316 HydrophobicContact CD2-CD1 4.41Å; L312-L316 WeakPolarHBondContact O-CB 3.43Å; L312-L316 PolarHBondContact O-N 3.17Å; L313-L316 PolarHBondContact O-N 2.88Å; L316-V325 HydrophobicContact CD1-CG1 4.19Å; L316-I363 HydrophobicContact CD1-CD1 3.95Å; L316-L371 HydrophobicContact CD1-CD1 3.78Å; L316-L371 HydrophobicContact CD1-CD2 4.23Å; L316-L371 HydrophobicContact CG-CD1 4.06Å; L316-F377 HydrophobicContact CD2-CB 4.4Å; L316-I379 HydrophobicContact CD2-CG2 4.31Å; L316-V407 HydrophobicContact CD2-CB 4.48Å; L316-V407 HydrophobicContact CD2-CG2 3.4Å; L316-V407 VanDerWaalsContact CD2-CG2 3.4Å; L316-V409 HydrophobicContact CD2-CG2 4.08Å; L316-V409 HydrophobicContact CG-CG2 4.08Å; L316-A415 HydrophobicContact CB-CB 3.97Å; L316-A415 HydrophobicContact CD2-CB 3.78Å; L316-A415 HydrophobicContact CG-CB 4.33Å
317	R	95	Very high	97	Very high	80 Å²	80	42.2 Å²	42.2	30%	0.302	21%	0.206	S	C	.	.			trans	-118.7	162.6	-176.1	65.1	-172.4	174.4	-96.4	-12.3	112.9	K314 E315 G319 V320 L371 G413	K314-R317 PolarHBondContact O-NH1 3.49Å; E315-R317 PolarHBondContact O-N 3.46Å; E315-R317 IonicContact OE1-CZ 3.34Å; E315-R317 IonicContact OE1-NH1 2.79Å; E315-R317 PolarHBondContact OE1-NH1 3.15Å; E315-R317 IonicContact OE1-NH2 3.93Å; E315-R317 IonicContact OE2-CZ 3.81Å; E315-R317 IonicContact OE2-NH1 2.71Å; E315-R317 PolarHBondContact OE2-NH1 3.21Å; E315-R317 VanDerWaalsContact OE2-NH1 3.09Å; E315-R317 IonicContact OE2-NH2 3.97Å; E315-R317 PolarHBondContact OE2-NH2 3.26Å; R317-G319 PolarHBondContact O-N 3.07Å; R317-V320 HydrophobicContact CG-CG2 3.53Å; R317-V320 PolarHBondContact O-N 3.01Å; R317-L371 WeakPolarHBondContact O-CB 3.17Å; R317-G413 WeakPolarHBondContact CB-O 3.15Å
318	H	96.7	Very high	97	Very high	92 Å²	92	39.7 Å²	39.7	43%	0.426	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	136.5	179.8	-177.2	42.3	0	0	0	113.1	V320 L371 K372 K373 D410	H318-V320 VanDerWaalsContact C-N 3.31Å; H318-V320 PolarHBondContact O-N 3.11Å; H318-L371 PolarHBondContact ND1-O 3.45Å; H318-L371 VanDerWaalsContact ND1-O 3.1Å; H318-K372 WeakPolarHBondContact ND1-CA 3.19Å; H318-K373 PolarHBondContact ND1-N 2.8Å; H318-D410 PolarHBondContact N-O 3.03Å
319	G	95.2	Very high	97	Very high	36 Å²	36	39.7 Å²	39.7	37%	0.371	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-19.2	172.7	0	0	0	0	0	115.2	R317 L371	R317-G319 PolarHBondContact O-N 3.07Å; G319-L371 PolarHBondContact N-O 3.07Å
320	V	95.9	Very high	97	Very high	21 Å²	21	40.5 Å²	40.5	13%	0.127	20%	0.202	C	C	.	.			trans	-72	142.8	177.7	179.9	0	0	0	0	110.4	R317 H318 D324 V325 K370 L371	R317-V320 HydrophobicContact CG-CG2 3.53Å; R317-V320 PolarHBondContact O-N 3.01Å; H318-V320 VanDerWaalsContact C-N 3.31Å; H318-V320 PolarHBondContact O-N 3.11Å; V320-D324 HydrophobicContact CG1-CB 4.18Å; V320-V325 HydrophobicContact CG1-CG2 3.76Å; V320-K370 WeakPolarHBondContact O-CA 3.4Å; V320-L371 HydrophobicContact CB-CD1 4.45Å; V320-L371 PolarHBondContact O-N 2.92Å
321	K	97.4	Very high	97	Very high	73 Å²	73	39.5 Å²	39.5	32%	0.317	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-76.9	142.8	173.6	-60.8	179.6	174	-172	0	110.3	C323 D324 V325 Q368 Y369 K370	K321-C323 VanDerWaalsContact C-N 3.26Å; K321-C323 PolarHBondContact O-N 3.49Å; K321-D324 HydrophobicContact CB-CB 4.44Å; K321-D324 WeakPolarHBondContact CB-OD2 3.37Å; K321-D324 WeakPolarHBondContact O-CB 3.46Å; K321-D324 PolarHBondContact O-N 2.97Å; K321-V325 PolarHBondContact O-N 3.4Å; K321-Q368 VanDerWaalsContact NZ-OE1 3.07Å; K321-Y369 WeakPolarHBondContact CA-O 3.32Å; K321-K370 HydrophobicContact CG-CG 4.19Å
322	I	97.9	Very high	97	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-38.4	180	-69.6	176.1	0	0	0	112.2	D324 V325 Y326 L361 V362 I363 N367 Y369 L371 F377	I322-D324 VanDerWaalsContact C-N 3.27Å; I322-D324 PolarHBondContact O-N 2.91Å; I322-V325 PolarHBondContact O-N 3.4Å; I322-Y326 PolarHBondContact O-N 3.32Å; I322-L361 HydrophobicContact CD1-CD2 4.22Å; I322-V362 WeakPolarHBondContact CG2-O 3.45Å; I322-I363 HydrophobicContact CG2-CB 4.16Å; I322-I363 HydrophobicContact CG2-CG1 4.1Å; I322-I363 HydrophobicContact CG2-CG2 4.27Å; I322-N367 HydrophobicContact CB-CB 4.01Å; I322-N367 HydrophobicContact CG2-CB 3.72Å; I322-Y369 WeakPolarHBondContact CG1-O 3.27Å; I322-Y369 PolarHBondContact N-O 3.23Å; I322-L371 HydrophobicContact CD1-CD2 4.3Å; I322-L371 HydrophobicContact CG1-CD2 3.77Å; I322-L371 HydrophobicContact CG1-CG 4.09Å; I322-F377 HydrophobicContact CD1-CE1 4.27Å; I322-F377 HydrophobicContact CD1-CZ 4.07Å
323	C	97.8	Very high	97	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.034	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-31.4	175.9	59.5	0	0	0	0	113.7	K321 Y326 N327 N364 N367	K321-C323 VanDerWaalsContact C-N 3.26Å; K321-C323 PolarHBondContact O-N 3.49Å; C323-Y326 WeakPolarHBondContact O-CB 3.46Å; C323-Y326 PolarHBondContact O-N 2.84Å; C323-N327 PolarHBondContact O-N 2.88Å; C323-N327 PolarHBondContact O-ND2 3.45Å; C323-N327 VanDerWaalsContact O-ND2 3.14Å; C323-N364 WeakPolarHBondContact CA-O 3.42Å; C323-N367 WeakPolarHBondContact CB-O 3.46Å; C323-N367 PolarHBondContact N-O 3.07Å
324	D	97.9	Very high	97	Very high	73 Å²	73	43.9 Å²	43.9	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-73	-37.3	-178.4	-59.1	-18.2	0	0	0	110.2	V320 K321 I322 Y326 N327 A328	V320-D324 HydrophobicContact CG1-CB 4.18Å; K321-D324 HydrophobicContact CB-CB 4.44Å; K321-D324 WeakPolarHBondContact CB-OD2 3.37Å; K321-D324 WeakPolarHBondContact O-CB 3.46Å; K321-D324 PolarHBondContact O-N 2.97Å; I322-D324 VanDerWaalsContact C-N 3.27Å; I322-D324 PolarHBondContact O-N 2.91Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; D324-Y326 PolarHBondContact O-N 3.3Å; D324-N327 PolarHBondContact O-N 3.41Å; D324-A328 WeakPolarHBondContact O-CB 3.21Å; D324-A328 PolarHBondContact O-N 2.9Å
325	V	97.5	Very high	97.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-45.8	170.8	-177.8	0	0	0	0	110.9	L312 E315 L316 V320 K321 I322 V329 I363 L371	L312-V325 HydrophobicContact CG-CG1 4.05Å; E315-V325 HydrophobicContact CB-CB 4.36Å; E315-V325 HydrophobicContact CB-CG1 4.08Å; E315-V325 HydrophobicContact CB-CG2 4.14Å; E315-V325 WeakPolarHBondContact O-CG2 3.31Å; L316-V325 HydrophobicContact CD1-CG1 4.19Å; V320-V325 HydrophobicContact CG1-CG2 3.76Å; K321-V325 PolarHBondContact O-N 3.4Å; I322-V325 PolarHBondContact O-N 3.4Å; V325-V329 PolarHBondContact O-N 3.01Å; V325-I363 HydrophobicContact CG1-CG2 4.46Å; V325-L371 HydrophobicContact CG2-CD1 3.84Å
326	Y	98.2	Very high	97.2	Very high	36 Å²	36	50.6 Å²	50.6	14%	0.141	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-47.6	176.7	177.2	-87.5	0	0	0	111.8	I322 C323 D324 A328 V329 M330 L348	I322-Y326 PolarHBondContact O-N 3.32Å; C323-Y326 WeakPolarHBondContact O-CB 3.46Å; C323-Y326 PolarHBondContact O-N 2.84Å; D324-Y326 VanDerWaalsContact C-N 3.33Å; D324-Y326 PolarHBondContact O-N 3.3Å; Y326-A328 PolarHBondContact O-N 3.19Å; Y326-V329 PolarHBondContact O-N 2.93Å; Y326-M330 HydrophobicContact CD1-CG 3.95Å; Y326-M330 HydrophobicContact CD2-CE 4.2Å; Y326-M330 HydrophobicContact CE1-CE 4.25Å; Y326-M330 HydrophobicContact CE1-CG 3.5Å; Y326-M330 HydrophobicContact CE2-CE 3.4Å; Y326-M330 VanDerWaalsContact CE2-CE 3.4Å; Y326-M330 HydrophobicContact CE2-CG 4.28Å; Y326-M330 HydrophobicContact CG-CG 4.49Å; Y326-M330 VanDerWaalsContact CZ-CE 3.42Å; Y326-M330 VanDerWaalsContact O-CG 3.31Å; Y326-M330 WeakPolarHBondContact O-CG 3.36Å; Y326-M330 PolarHBondContact O-N 3.46Å; Y326-M330 VanDerWaalsContact O-N 3.08Å; Y326-M330 WeakPolarHBondContact OH-CE 2.98Å; Y326-L348 HydrophobicContact CD2-CD1 3.84Å; Y326-L348 HydrophobicContact CD2-CG 3.82Å; Y326-L348 HydrophobicContact CE2-CD1 4.49Å; Y326-L348 HydrophobicContact CE2-CG 4.2Å; Y326-L348 HydrophobicContact CG-CD1 4.44Å
327	N	97.7	Very high	97.2	Very high	63 Å²	63	52.6 Å²	52.6	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-40.7	-177.6	-67.7	-26.4	0	0	0	111.8	C323 D324 V329 M330 D331	C323-N327 PolarHBondContact O-N 2.88Å; C323-N327 PolarHBondContact O-ND2 3.45Å; C323-N327 VanDerWaalsContact O-ND2 3.14Å; D324-N327 PolarHBondContact O-N 3.41Å; N327-V329 VanDerWaalsContact C-N 3.35Å; N327-V329 PolarHBondContact O-N 2.71Å; N327-M330 PolarHBondContact O-N 2.68Å; N327-D331 WeakPolarHBondContact O-CB 3.4Å; N327-D331 VanDerWaalsContact O-CG 3.27Å; N327-D331 PolarHBondContact O-N 2.91Å
328	A	97.3	Very high	97.2	Very high	22 Å²	22	52.3 Å²	52.3	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-45.7	177.8	0	0	0	0	0	112.4	E315 D324 Y326 D331 V332	E315-A328 HydrophobicContact CG-CB 3.81Å; D324-A328 WeakPolarHBondContact O-CB 3.21Å; D324-A328 PolarHBondContact O-N 2.9Å; Y326-A328 PolarHBondContact O-N 3.19Å; A328-D331 PolarHBondContact O-N 2.83Å; A328-V332 PolarHBondContact O-N 3.43Å
329	V	98	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-44	176.5	178.2	0	0	0	0	111	L308 L312 V325 Y326 N327 D331 V332 V333 L348 L381	L308-V329 HydrophobicContact CB-CG1 4.14Å; L308-V329 HydrophobicContact CD2-CG1 4.17Å; L312-V329 HydrophobicContact CB-CG2 3.7Å; L312-V329 HydrophobicContact CD1-CG2 4.36Å; L312-V329 HydrophobicContact CG-CG2 4.23Å; V325-V329 PolarHBondContact O-N 3.01Å; Y326-V329 PolarHBondContact O-N 2.93Å; N327-V329 VanDerWaalsContact C-N 3.35Å; N327-V329 PolarHBondContact O-N 2.71Å; V329-D331 VanDerWaalsContact C-N 3.3Å; V329-D331 PolarHBondContact O-N 3.46Å; V329-V332 WeakPolarHBondContact O-CB 3.29Å; V329-V332 PolarHBondContact O-N 2.97Å; V329-V333 PolarHBondContact O-N 2.79Å; V329-V333 VanDerWaalsContact O-N 3.15Å; V329-L348 HydrophobicContact CB-CD1 3.66Å; V329-L348 HydrophobicContact CG1-CD1 3.82Å; V329-L348 HydrophobicContact CG2-CD1 3.92Å; V329-L381 HydrophobicContact CG1-CD2 4.04Å
330	M	97.5	Very high	97.1	Very high	18 Å²	18	52 Å²	52	9%	0.089	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-32.7	179.3	-68.2	-62.4	164.9	0	0	112.8	Y326 N327 V332 V333 K334 L341 I344 L348	Y326-M330 HydrophobicContact CD1-CG 3.95Å; Y326-M330 HydrophobicContact CD2-CE 4.2Å; Y326-M330 HydrophobicContact CE1-CE 4.25Å; Y326-M330 HydrophobicContact CE1-CG 3.5Å; Y326-M330 HydrophobicContact CE2-CE 3.4Å; Y326-M330 VanDerWaalsContact CE2-CE 3.4Å; Y326-M330 HydrophobicContact CE2-CG 4.28Å; Y326-M330 HydrophobicContact CG-CG 4.49Å; Y326-M330 VanDerWaalsContact CZ-CE 3.42Å; Y326-M330 VanDerWaalsContact O-CG 3.31Å; Y326-M330 WeakPolarHBondContact O-CG 3.36Å; Y326-M330 PolarHBondContact O-N 3.46Å; Y326-M330 VanDerWaalsContact O-N 3.08Å; Y326-M330 WeakPolarHBondContact OH-CE 2.98Å; N327-M330 PolarHBondContact O-N 2.68Å; M330-V332 VanDerWaalsContact C-N 3.34Å; M330-V333 PolarHBondContact O-N 3.44Å; M330-K334 WeakPolarHBondContact O-CB 3.38Å; M330-K334 PolarHBondContact O-N 3.31Å; M330-L341 HydrophobicContact SD-CD1 4.16Å; M330-I344 HydrophobicContact CE-CD1 4.11Å; M330-I344 HydrophobicContact CE-CG1 4.42Å; M330-I344 HydrophobicContact CE-CG2 3.76Å; M330-I344 HydrophobicContact SD-CD1 4.45Å; M330-I344 HydrophobicContact SD-CG2 3.92Å; M330-L348 HydrophobicContact CE-CD1 4.42Å; M330-L348 HydrophobicContact CE-CD2 3.86Å; M330-L348 HydrophobicContact CE-CG 4.34Å
331	D	97.6	Very high	97	Very high	102 Å²	102	54.6 Å²	54.6	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-36.8	174.9	-74.7	-23.3	0	0	0	111.6	N327 A328 V329 K334 K335	N327-D331 WeakPolarHBondContact O-CB 3.4Å; N327-D331 VanDerWaalsContact O-CG 3.27Å; N327-D331 PolarHBondContact O-N 2.91Å; A328-D331 PolarHBondContact O-N 2.83Å; V329-D331 VanDerWaalsContact C-N 3.3Å; V329-D331 PolarHBondContact O-N 3.46Å; D331-K334 PolarHBondContact O-N 2.89Å; D331-K335 VanDerWaalsContact O-CB 3.27Å; D331-K335 WeakPolarHBondContact O-CB 3.25Å; D331-K335 PolarHBondContact O-N 2.9Å
332	V	97.8	Very high	96.9	Very high	25 Å²	25	57.3 Å²	57.3	15%	0.152	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-46.4	172.6	176.8	0	0	0	0	111.1	F304 L308 E311 A328 V329 M330 K334 K335 Q336	F304-V332 HydrophobicContact CE2-CG1 4.47Å; L308-V332 HydrophobicContact CD2-CB 3.93Å; L308-V332 HydrophobicContact CD2-CG1 3.63Å; E311-V332 HydrophobicContact CG-CG2 4.04Å; A328-V332 PolarHBondContact O-N 3.43Å; V329-V332 WeakPolarHBondContact O-CB 3.29Å; V329-V332 PolarHBondContact O-N 2.97Å; M330-V332 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 2.98Å; V332-K335 PolarHBondContact O-N 2.92Å; V332-Q336 HydrophobicContact CG1-CG 4.47Å; V332-Q336 PolarHBondContact O-N 3.4Å
333	V	97.6	Very high	96.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57	-50.7	175.7	-179.2	0	0	0	0	110.5	L308 V329 M330 K335 Q336 K337 L340 L341 I344	L308-V333 HydrophobicContact CD1-CG2 3.58Å; L308-V333 HydrophobicContact CD2-CG2 3.64Å; L308-V333 HydrophobicContact CG-CG2 4.28Å; V329-V333 PolarHBondContact O-N 2.79Å; V329-V333 VanDerWaalsContact O-N 3.15Å; M330-V333 PolarHBondContact O-N 3.44Å; V333-K335 VanDerWaalsContact C-N 3.25Å; V333-K335 PolarHBondContact O-N 3.5Å; V333-Q336 PolarHBondContact O-N 3.45Å; V333-K337 CarbonylContact O-C 3.49Å; V333-K337 WeakPolarHBondContact O-CA 3.31Å; V333-K337 PolarHBondContact O-N 2.89Å; V333-L340 HydrophobicContact CG1-CB 4.49Å; V333-L341 HydrophobicContact CB-CD1 4.15Å; V333-L341 HydrophobicContact CG1-CB 4.17Å; V333-L341 HydrophobicContact CG1-CD1 3.86Å; V333-I344 HydrophobicContact CG2-CD1 3.84Å
334	K	96.9	Very high	96.8	Very high	138 Å²	138	60.3 Å²	60.3	60%	0.6	30%	0.301	S	S	*	.	H	α-helix	trans	-61.3	-33.2	-179.1	-169.5	-179.4	-178.9	-175.9	0	112.9	M330 D331 V332	M330-K334 WeakPolarHBondContact O-CB 3.38Å; M330-K334 PolarHBondContact O-N 3.31Å; D331-K334 PolarHBondContact O-N 2.89Å; V332-K334 PolarHBondContact O-N 2.98Å
335	K	97.1	Very high	96.7	Very high	183 Å²	183	57.8 Å²	57.8	80%	0.796	29%	0.288	S	S	*	.	H	α-helix	trans	-80	-40.5	-178.9	-175.8	-179.6	176.9	-174.3	0	113	D331 V332 V333	D331-K335 VanDerWaalsContact O-CB 3.27Å; D331-K335 WeakPolarHBondContact O-CB 3.25Å; D331-K335 PolarHBondContact O-N 2.9Å; V332-K335 PolarHBondContact O-N 2.92Å; V333-K335 VanDerWaalsContact C-N 3.25Å; V333-K335 PolarHBondContact O-N 3.5Å
336	Q	97.5	Very high	96.4	Very high	93 Å²	93	66.7 Å²	66.7	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-101.6	-40.1	-169.9	-62.4	-171.2	33.4	0	0	113.6	F304 V332 V333	F304-Q336 HydrophobicContact CE2-CB 3.75Å; F304-Q336 HydrophobicContact CE2-CG 4.49Å; F304-Q336 HydrophobicContact CZ-CB 4.03Å; V332-Q336 HydrophobicContact CG1-CG 4.47Å; V332-Q336 PolarHBondContact O-N 3.4Å; V333-Q336 PolarHBondContact O-N 3.45Å
337	K	95.8	Very high	96.3	Very high	43 Å²	43	66.9 Å²	66.9	19%	0.187	33%	0.33	C	S	.	.			trans	-142.1	67.5	-178.3	-71.7	-156.4	173.2	-170.1	0	111.3	N301 F304 V333 E339 L340	N301-K337 PolarHBondContact OD1-NZ 3.44Å; F304-K337 HydrophobicContact CD1-CB 4.26Å; F304-K337 HydrophobicContact CD1-CD 3.9Å; F304-K337 HydrophobicContact CD1-CG 4.26Å; F304-K337 HydrophobicContact CE1-CB 3.7Å; F304-K337 HydrophobicContact CE1-CD 4.21Å; F304-K337 HydrophobicContact CE1-CG 4.09Å; F304-K337 HydrophobicContact CE2-CG 4.46Å; F304-K337 HydrophobicContact CG-CD 4.1Å; F304-K337 HydrophobicContact CZ-CB 3.94Å; F304-K337 HydrophobicContact CZ-CG 4.19Å; V333-K337 CarbonylContact O-C 3.49Å; V333-K337 WeakPolarHBondContact O-CA 3.31Å; V333-K337 PolarHBondContact O-N 2.89Å; K337-E339 WeakPolarHBondContact CA-OE1 3.31Å; K337-E339 WeakPolarHBondContact CA-OE2 3.46Å; K337-E339 VanDerWaalsContact CB-OE1 3.23Å; K337-E339 WeakPolarHBondContact CB-OE1 3.45Å; K337-E339 WeakPolarHBondContact CG-OE1 3.45Å; K337-E339 PolarHBondContact O-N 3.35Å; K337-L340 HydrophobicContact CB-CB 4.42Å; K337-L340 HydrophobicContact CB-CD1 3.89Å; K337-L340 HydrophobicContact CB-CG 4.09Å; K337-L340 HydrophobicContact CD-CD1 3.58Å; K337-L340 HydrophobicContact CD-CG 4.38Å; K337-L340 HydrophobicContact CG-CD1 4.36Å; K337-L340 PolarHBondContact O-N 2.91Å
338	P	95.7	Very high	96.3	Very high	75 Å²	75	63.9 Å²	63.9	49%	0.487	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-59.8	-26.3	-175.3	24.3	-34.6	0	0	0	114.1	L340 L341	P338-L340 PolarHBondContact O-N 3.05Å; P338-L341 WeakPolarHBondContact O-CB 3.47Å; P338-L341 PolarHBondContact O-N 2.83Å
339	E	94.2	Very high	96.3	Very high	111 Å²	111	62.9 Å²	62.9	52%	0.519	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.7	174.7	70.3	-71.5	168.3	0	0	113.5	K337 N342	K337-E339 WeakPolarHBondContact CA-OE1 3.31Å; K337-E339 WeakPolarHBondContact CA-OE2 3.46Å; K337-E339 VanDerWaalsContact CB-OE1 3.23Å; K337-E339 WeakPolarHBondContact CB-OE1 3.45Å; K337-E339 WeakPolarHBondContact CG-OE1 3.45Å; K337-E339 PolarHBondContact O-N 3.35Å; E339-N342 PolarHBondContact O-OD1 3.16Å; E339-N342 VanDerWaalsContact O-OD1 3.13Å
340	L	95.7	Very high	96.3	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.058	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-87.4	-5.7	177.6	-62.2	-176.7	0	0	0	113.4	F304 V333 K337 P338 N342 K343 I344 F383 L386	F304-L340 HydrophobicContact CD1-CD1 3.88Å; F304-L340 HydrophobicContact CE1-CD1 4.17Å; V333-L340 HydrophobicContact CG1-CB 4.49Å; K337-L340 HydrophobicContact CB-CB 4.42Å; K337-L340 HydrophobicContact CB-CD1 3.89Å; K337-L340 HydrophobicContact CB-CG 4.09Å; K337-L340 HydrophobicContact CD-CD1 3.58Å; K337-L340 HydrophobicContact CD-CG 4.38Å; K337-L340 HydrophobicContact CG-CD1 4.36Å; K337-L340 PolarHBondContact O-N 2.91Å; P338-L340 PolarHBondContact O-N 3.05Å; L340-N342 VanDerWaalsContact C-N 3.26Å; L340-N342 PolarHBondContact O-N 3.38Å; L340-K343 WeakPolarHBondContact O-CB 3.44Å; L340-K343 PolarHBondContact O-N 3.47Å; L340-I344 PolarHBondContact O-N 2.98Å; L340-I344 VanDerWaalsContact O-N 3.1Å; L340-F383 HydrophobicContact CB-CD1 4.09Å; L340-F383 HydrophobicContact CB-CE1 3.61Å; L340-F383 HydrophobicContact CB-CZ 4.1Å; L340-F383 HydrophobicContact CD1-CD2 4.49Å; L340-F383 HydrophobicContact CD1-CE1 4.08Å; L340-F383 HydrophobicContact CD1-CE2 4.01Å; L340-F383 HydrophobicContact CD1-CZ 3.79Å; L340-F383 HydrophobicContact CG-CE1 4.4Å; L340-L386 HydrophobicContact CD2-CD2 3.66Å
341	L	93.7	Very high	96.3	Very high	75 Å²	75	62.1 Å²	62.1	39%	0.393	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.3	-174.6	-168.9	71.1	0	0	0	113.3	M330 V333 P338 I344	M330-L341 HydrophobicContact SD-CD1 4.16Å; V333-L341 HydrophobicContact CB-CD1 4.15Å; V333-L341 HydrophobicContact CG1-CB 4.17Å; V333-L341 HydrophobicContact CG1-CD1 3.86Å; P338-L341 WeakPolarHBondContact O-CB 3.47Å; P338-L341 PolarHBondContact O-N 2.83Å; L341-I344 WeakPolarHBondContact O-CG2 3.29Å
342	N	94.6	Very high	96.3	Very high	129 Å²	129	57.3 Å²	57.3	69%	0.69	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.1	175.4	65.8	-11.8	0	0	0	113.4	E339 L340	E339-N342 PolarHBondContact O-OD1 3.16Å; E339-N342 VanDerWaalsContact O-OD1 3.13Å; L340-N342 VanDerWaalsContact C-N 3.26Å; L340-N342 PolarHBondContact O-N 3.38Å
343	K	96.6	Very high	96.2	Very high	54 Å²	54	56.1 Å²	56.1	24%	0.235	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-21.3	179.7	-56.4	-55.6	-175.3	157.6	0	112.7	L340 F383 S384 D385 L386	L340-K343 WeakPolarHBondContact O-CB 3.44Å; L340-K343 PolarHBondContact O-N 3.47Å; K343-F383 HydrophobicContact CB-CB 4.49Å; K343-F383 HydrophobicContact CB-CD1 4.15Å; K343-F383 WeakPolarHBondContact O-CA 3.32Å; K343-S384 WeakPolarHBondContact CB-O 3.31Å; K343-S384 WeakPolarHBondContact CD-O 3.36Å; K343-S384 PolarHBondContact O-N 2.83Å; K343-D385 HydrophobicContact CD-CB 4.16Å; K343-D385 WeakPolarHBondContact CE-O 3.41Å; K343-D385 PolarHBondContact NZ-O 2.93Å; K343-L386 HydrophobicContact CB-CD2 4.38Å; K343-L386 HydrophobicContact CG-CD2 4.31Å
344	I	97.2	Very high	96.1	Very high	16 Å²	16	56.7 Å²	56.7	8%	0.082	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-69.6	149.2	-179.2	-162.6	165.9	0	0	0	112.6	L308 M330 V333 L340 L341 K346 L348 G382 F383	L308-I344 HydrophobicContact CD1-CD1 3.99Å; M330-I344 HydrophobicContact CE-CD1 4.11Å; M330-I344 HydrophobicContact CE-CG1 4.42Å; M330-I344 HydrophobicContact CE-CG2 3.76Å; M330-I344 HydrophobicContact SD-CD1 4.45Å; M330-I344 HydrophobicContact SD-CG2 3.92Å; V333-I344 HydrophobicContact CG2-CD1 3.84Å; L340-I344 PolarHBondContact O-N 2.98Å; L340-I344 VanDerWaalsContact O-N 3.1Å; L341-I344 WeakPolarHBondContact O-CG2 3.29Å; I344-K346 PolarHBondContact O-N 3.41Å; I344-L348 HydrophobicContact CD1-CD2 4.33Å; I344-G382 CarbonylContact C-O 3.58Å; I344-G382 VanDerWaalsContact CA-O 3.27Å; I344-G382 WeakPolarHBondContact CA-O 3.49Å; I344-F383 HydrophobicContact CB-CD1 3.94Å; I344-F383 HydrophobicContact CB-CE1 3.73Å; I344-F383 HydrophobicContact CD1-CE1 4.17Å; I344-F383 HydrophobicContact CG1-CD1 4.35Å; I344-F383 HydrophobicContact CG1-CE1 4Å
345	T	95.8	Very high	96.1	Very high	20 Å²	20	51.2 Å²	51.2	12%	0.123	25%	0.249	C	C	.	.			trans	-54.2	136.2	173.2	50.2	0	0	0	0	112.2	L255 N347 G382 F402	L255-T345 HydrophobicContact CB-CG2 4.25Å; L255-T345 HydrophobicContact CD1-CG2 4.08Å; T345-N347 WeakPolarHBondContact CB-O 3.37Å; T345-N347 PolarHBondContact O-N 2.9Å; T345-N347 VanDerWaalsContact O-N 3.16Å; T345-N347 PolarHBondContact OG1-O 2.86Å; T345-N347 VanDerWaalsContact OG1-O 3.12Å; T345-G382 PolarHBondContact N-O 3.47Å; T345-G382 PolarHBondContact OG1-N 2.88Å; T345-F402 HydrophobicContact CG2-CE2 4.27Å
346	K	91.8	Very high	96	Very high	186 Å²	186	43.2 Å²	43.2	81%	0.809	21%	0.214	S	C	*	.	S	Bend	trans	-64.7	-19.8	-177.3	-65	-176	179.3	-179	0	114.7	I344	I344-K346 PolarHBondContact O-N 3.41Å
347	N	95.8	Very high	95.9	Very high	41 Å²	41	44.5 Å²	44.5	22%	0.219	22%	0.215	C	C	.	.			trans	-137.2	153.2	173.2	64.9	100.8	0	0	0	107.7	T345 V362 I363	T345-N347 WeakPolarHBondContact CB-O 3.37Å; T345-N347 PolarHBondContact O-N 2.9Å; T345-N347 VanDerWaalsContact O-N 3.16Å; T345-N347 PolarHBondContact OG1-O 2.86Å; T345-N347 VanDerWaalsContact OG1-O 3.12Å; N347-V362 HydrophobicContact CB-CG1 3.62Å; N347-I363 VanDerWaalsContact CA-O 3.28Å; N347-I363 WeakPolarHBondContact CA-O 3.38Å; N347-I363 VanDerWaalsContact CB-O 3.31Å; N347-I363 WeakPolarHBondContact CB-O 3.49Å
348	L	97.6	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.			trans	-106.7	13.5	-172.1	-53.2	177.6	0	0	0	112.9	L312 Y326 V329 M330 I344 I363 I379 N380 L381	L312-L348 HydrophobicContact CD1-CB 3.58Å; L312-L348 HydrophobicContact CD1-CD1 4.06Å; L312-L348 HydrophobicContact CD1-CG 4.43Å; Y326-L348 HydrophobicContact CD2-CD1 3.84Å; Y326-L348 HydrophobicContact CD2-CG 3.82Å; Y326-L348 HydrophobicContact CE2-CD1 4.49Å; Y326-L348 HydrophobicContact CE2-CG 4.2Å; Y326-L348 HydrophobicContact CG-CD1 4.44Å; V329-L348 HydrophobicContact CB-CD1 3.66Å; V329-L348 HydrophobicContact CG1-CD1 3.82Å; V329-L348 HydrophobicContact CG2-CD1 3.92Å; M330-L348 HydrophobicContact CE-CD1 4.42Å; M330-L348 HydrophobicContact CE-CD2 3.86Å; M330-L348 HydrophobicContact CE-CG 4.34Å; I344-L348 HydrophobicContact CD1-CD2 4.33Å; L348-I363 HydrophobicContact CB-CB 4.3Å; L348-I363 HydrophobicContact CB-CG2 3.99Å; L348-I363 PolarHBondContact N-O 3.5Å; L348-I379 WeakPolarHBondContact O-CA 3.5Å; L348-N380 CarbonylContact C-O 3.6Å; L348-N380 VanDerWaalsContact C-O 3.3Å; L348-N380 WeakPolarHBondContact CA-O 3.48Å; L348-N380 PolarHBondContact O-N 2.86Å; L348-L381 HydrophobicContact CD2-CD2 3.96Å; L348-L381 HydrophobicContact CD2-CG 4.1Å
349	G	97.6	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.6	-179.4	-173.9	0	0	0	0	0	114.3	I363 S378 N380	G349-I363 PolarHBondContact O-N 2.87Å; G349-S378 CarbonylContact C-O 3.52Å; G349-S378 WeakPolarHBondContact CA-O 3.44Å; G349-N380 WeakPolarHBondContact CA-OD1 3.35Å; G349-N380 PolarHBondContact N-OD1 3.32Å
350	F	98	Very high	95.6	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.4	177.5	44.3	-99.9	0	0	0	111.3	F257 M352 F356 R357 L361 V362 F377 S378	F257-F350 AromaticContact CD2-CE1 3.84Å; F257-F350 HydrophobicContact CD2-CE1 3.84Å; F257-F350 AromaticContact CD2-CZ 3.9Å; F257-F350 HydrophobicContact CD2-CZ 3.9Å; F257-F350 AromaticContact CE2-CE1 3.76Å; F257-F350 HydrophobicContact CE2-CE1 3.76Å; F257-F350 AromaticContact CE2-CZ 3.88Å; F257-F350 HydrophobicContact CE2-CZ 3.88Å; F350-M352 HydrophobicContact CE2-CE 4.31Å; F350-F356 HydrophobicContact CE2-CD1 4.48Å; F350-F356 HydrophobicContact CE2-CE1 4.16Å; F350-F356 HydrophobicContact CE2-CE2 4.45Å; F350-F356 HydrophobicContact CE2-CZ 4.14Å; F350-F356 WeakPolarHBondContact CE2-O 3.42Å; F350-F356 HydrophobicContact CZ-CD1 4.46Å; F350-F356 AromaticContact CZ-CE1 3.75Å; F350-F356 HydrophobicContact CZ-CE1 3.75Å; F350-F356 HydrophobicContact CZ-CE2 4.44Å; F350-F356 AromaticContact CZ-CZ 3.74Å; F350-F356 HydrophobicContact CZ-CZ 3.74Å; F350-R357 HydrophobicContact CB-CG 4.2Å; F350-R357 HydrophobicContact CD1-CG 3.92Å; F350-R357 HydrophobicContact CD2-CB 3.78Å; F350-R357 HydrophobicContact CD2-CG 3.73Å; F350-R357 HydrophobicContact CE1-CG 4.21Å; F350-R357 HydrophobicContact CE2-CB 3.71Å; F350-R357 HydrophobicContact CE2-CG 4.04Å; F350-R357 HydrophobicContact CG-CB 4.24Å; F350-R357 HydrophobicContact CG-CG 3.66Å; F350-R357 HydrophobicContact CZ-CB 4.1Å; F350-R357 HydrophobicContact CZ-CG 4.26Å; F350-L361 CarbonylContact C-O 3.03Å; F350-L361 VanDerWaalsContact CA-O 3.26Å; F350-L361 WeakPolarHBondContact CA-O 3.38Å; F350-V362 HydrophobicContact CB-CG2 4.19Å; F350-F377 CarbonylContact O-C 3.58Å; F350-F377 VanDerWaalsContact O-CA 3.28Å; F350-F377 WeakPolarHBondContact O-CA 3.41Å; F350-S378 PolarHBondContact N-O 3.06Å; F350-S378 PolarHBondContact O-N 2.85Å
351	G	97.8	Very high	95.6	Very high	1 Å²	1	38 Å²	38	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	149.6	170.7	0	0	0	0	0	110.9	E358 L361 V376	G351-E358 WeakPolarHBondContact O-CB 3.39Å; G351-E358 WeakPolarHBondContact O-CG 3.4Å; G351-E358 PolarHBondContact O-N 2.84Å; G351-L361 PolarHBondContact N-O 2.92Å; G351-V376 WeakPolarHBondContact CA-O 3.38Å
352	M	97.2	Very high	95.8	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	171.7	177.2	61.6	167.3	25.2	0	0	112.6	K175 M183 N285 F350 F356 V376 T406	K175-M352 WeakPolarHBondContact CE-O 3.4Å; K175-M352 PolarHBondContact NZ-O 2.68Å; M183-M352 HydrophobicContact CE-CG 4.03Å; M183-M352 HydrophobicContact CE-SD 4.32Å; N285-M352 HydrophobicContact CB-CE 3.91Å; F350-M352 HydrophobicContact CE2-CE 4.31Å; M352-F356 VanDerWaalsContact CB-O 3.26Å; M352-F356 WeakPolarHBondContact CB-O 3.5Å; M352-F356 HydrophobicContact CE-CD2 3.96Å; M352-F356 HydrophobicContact CE-CE2 4.05Å; M352-F356 WeakPolarHBondContact CE-O 3.41Å; M352-V376 HydrophobicContact CG-CG1 4.03Å; M352-V376 PolarHBondContact N-O 3.05Å; M352-V376 HydrophobicContact SD-CG1 4.45Å; M352-T406 HydrophobicContact SD-CG2 3.86Å
353	G	96.7	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	173	-110	-178.1	0	0	0	0	0	109.6	K175 C283 E355	K175-G353 VanDerWaalsContact CE-CA 3.43Å; C283-G353 WeakPolarHBondContact CB-O 3.46Å; C283-G353 PolarHBondContact N-O 2.8Å; G353-E355 PolarHBondContact N-O 2.61Å; G353-E355 VanDerWaalsContact N-O 3.08Å
354	I	95.8	Very high	96	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.056	15%	0.15	C	C	.	.	S	Bend	trans	-73.3	-38.8	173.2	-61.5	167.4	0	0	0	110.5	A51 T54 W55 S281 Y282	A51-I354 HydrophobicContact CB-CB 4.33Å; A51-I354 HydrophobicContact CB-CG2 4.07Å; A51-I354 WeakPolarHBondContact O-CD1 3.46Å; T54-I354 HydrophobicContact CG2-CD1 3.97Å; T54-I354 HydrophobicContact CG2-CG1 4.36Å; T54-I354 HydrophobicContact CG2-CG2 4.04Å; W55-I354 HydrophobicContact CB-CD1 3.74Å; S281-I354 WeakPolarHBondContact O-CA 3.34Å; Y282-I354 HydrophobicContact CD1-CG1 4.21Å; Y282-I354 HydrophobicContact CE1-CD1 4.44Å; Y282-I354 HydrophobicContact CE1-CG1 3.78Å; Y282-I354 HydrophobicContact CE2-CG1 4.26Å
355	E	95.3	Very high	96	Very high	24 Å²	24	30.5 Å²	30.5	11%	0.112	17%	0.166	C	C	.	.	S	Bend	trans	-85	136.4	168.1	-66.9	176.1	73.3	0	0	109.2	Y46 K48 A51 G353 R357	Y46-E355 HydrophobicContact CD1-CB 4.41Å; Y46-E355 HydrophobicContact CD1-CG 4.47Å; K48-E355 WeakPolarHBondContact CD-OE2 3.33Å; K48-E355 VanDerWaalsContact CE-OE2 3.24Å; K48-E355 WeakPolarHBondContact CE-OE2 3.31Å; K48-E355 IonicContact NZ-OE2 3.38Å; K48-E355 PolarHBondContact NZ-OE2 3.09Å; A51-E355 HydrophobicContact CB-CG 3.77Å; A51-E355 WeakPolarHBondContact CB-OE2 3.46Å; G353-E355 PolarHBondContact N-O 2.61Å; G353-E355 VanDerWaalsContact N-O 3.08Å; E355-R357 VanDerWaalsContact C-N 3.27Å; E355-R357 PolarHBondContact O-N 2.78Å
356	F	95.8	Very high	95.9	Very high	14 Å²	14	37.7 Å²	37.7	6%	0.061	20%	0.196	C	C	.	.	S	Bend	trans	-57.9	-43.5	173.8	168.9	-109.8	0	0	0	111.1	Y46 C242 Y243 F257 N285 F350 M352	Y46-F356 HydrophobicContact CD2-CB 4.42Å; Y46-F356 HydrophobicContact CE1-CB 4Å; Y46-F356 HydrophobicContact CE2-CB 3.79Å; C242-F356 HydrophobicContact CB-CD2 3.89Å; C242-F356 HydrophobicContact CB-CE2 4.47Å; C242-F356 HydrophobicContact CB-CG 4.41Å; Y243-F356 HydrophobicContact CD1-CD1 4.26Å; Y243-F356 HydrophobicContact CD1-CD2 4.09Å; Y243-F356 AromaticContact CD1-CE1 3.95Å; Y243-F356 HydrophobicContact CD1-CE1 3.95Å; Y243-F356 AromaticContact CD1-CE2 3.77Å; Y243-F356 HydrophobicContact CD1-CE2 3.77Å; Y243-F356 HydrophobicContact CD1-CG 4.33Å; Y243-F356 AromaticContact CD1-CZ 3.69Å; Y243-F356 HydrophobicContact CD1-CZ 3.69Å; Y243-F356 HydrophobicContact CE1-CD2 4.04Å; Y243-F356 HydrophobicContact CE1-CE1 4.01Å; Y243-F356 AromaticContact CE1-CE2 3.31Å; Y243-F356 HydrophobicContact CE1-CE2 3.31Å; Y243-F356 AromaticContact CE1-CZ 3.29Å; Y243-F356 HydrophobicContact CE1-CZ 3.29Å; F257-F356 HydrophobicContact CB-CE1 3.71Å; F257-F356 HydrophobicContact CB-CZ 4.12Å; F257-F356 HydrophobicContact CD1-CE1 4.23Å; F257-F356 AromaticContact CD1-CZ 3.75Å; F257-F356 HydrophobicContact CD1-CZ 3.75Å; F257-F356 HydrophobicContact CD2-CE1 4.19Å; F257-F356 HydrophobicContact CD2-CZ 4.15Å; F257-F356 HydrophobicContact CE1-CZ 4.17Å; F257-F356 AromaticContact CG-CE1 3.78Å; F257-F356 HydrophobicContact CG-CE1 3.78Å; F257-F356 AromaticContact CG-CZ 3.73Å; F257-F356 HydrophobicContact CG-CZ 3.73Å; N285-F356 HydrophobicContact CB-CE2 3.89Å; F350-F356 HydrophobicContact CE2-CD1 4.48Å; F350-F356 HydrophobicContact CE2-CE1 4.16Å; F350-F356 HydrophobicContact CE2-CE2 4.45Å; F350-F356 HydrophobicContact CE2-CZ 4.14Å; F350-F356 WeakPolarHBondContact CE2-O 3.42Å; F350-F356 HydrophobicContact CZ-CD1 4.46Å; F350-F356 AromaticContact CZ-CE1 3.75Å; F350-F356 HydrophobicContact CZ-CE1 3.75Å; F350-F356 HydrophobicContact CZ-CE2 4.44Å; F350-F356 AromaticContact CZ-CZ 3.74Å; F350-F356 HydrophobicContact CZ-CZ 3.74Å; M352-F356 VanDerWaalsContact CB-O 3.26Å; M352-F356 WeakPolarHBondContact CB-O 3.5Å; M352-F356 HydrophobicContact CE-CD2 3.96Å; M352-F356 HydrophobicContact CE-CE2 4.05Å; M352-F356 WeakPolarHBondContact CE-O 3.41Å
357	R	95.4	Very high	96.1	Very high	121 Å²	121	29.6 Å²	29.6	46%	0.457	16%	0.161	S	C	.	.			trans	-129.4	113.7	-178.2	175.7	173.8	-177.8	-174.2	4.2	112.3	F350 E355 G359	F350-R357 HydrophobicContact CB-CG 4.2Å; F350-R357 HydrophobicContact CD1-CG 3.92Å; F350-R357 HydrophobicContact CD2-CB 3.78Å; F350-R357 HydrophobicContact CD2-CG 3.73Å; F350-R357 HydrophobicContact CE1-CG 4.21Å; F350-R357 HydrophobicContact CE2-CB 3.71Å; F350-R357 HydrophobicContact CE2-CG 4.04Å; F350-R357 HydrophobicContact CG-CB 4.24Å; F350-R357 HydrophobicContact CG-CG 3.66Å; F350-R357 HydrophobicContact CZ-CB 4.1Å; F350-R357 HydrophobicContact CZ-CG 4.26Å; E355-R357 VanDerWaalsContact C-N 3.27Å; E355-R357 PolarHBondContact O-N 2.78Å; R357-G359 PolarHBondContact O-N 2.94Å
358	E	93.7	Very high	96.1	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	98.4	171.1	-70.2	-68.3	173.9	0	0	111.2	K48 A169 G351 S360 L361	K48-E358 IonicContact NZ-OE1 3.46Å; K48-E358 PolarHBondContact NZ-OE1 3.5Å; K48-E358 VanDerWaalsContact NZ-OE1 3.09Å; K48-E358 IonicContact NZ-OE2 3.02Å; K48-E358 PolarHBondContact NZ-OE2 3.03Å; A169-E358 WeakPolarHBondContact CB-OE2 3.28Å; G351-E358 WeakPolarHBondContact O-CB 3.39Å; G351-E358 WeakPolarHBondContact O-CG 3.4Å; G351-E358 PolarHBondContact O-N 2.84Å; E358-S360 PolarHBondContact O-N 2.9Å; E358-S360 VanDerWaalsContact O-N 3.09Å; E358-L361 HydrophobicContact CB-CB 4.02Å; E358-L361 HydrophobicContact CB-CD1 4.32Å; E358-L361 HydrophobicContact CB-CG 4.36Å; E358-L361 CarbonylContact O-C 3.51Å; E358-L361 PolarHBondContact O-N 2.8Å
359	G	91.5	Very high	96	Very high	59 Å²	59	35 Å²	35	61%	0.608	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	-24.4	-176.3	0	0	0	0	0	115	R357 V362	R357-G359 PolarHBondContact O-N 2.94Å; G359-V362 WeakPolarHBondContact O-CG2 3.46Å
360	S	93.3	Very high	95.9	Very high	35 Å²	35	40.4 Å²	40.4	25%	0.245	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-14	177.1	-56.1	0	0	0	0	113.6	A166 E358 N367	A166-S360 VanDerWaalsContact CA-OG 3.29Å; A166-S360 WeakPolarHBondContact CA-OG 3.33Å; A166-S360 WeakPolarHBondContact CB-OG 3.26Å; E358-S360 PolarHBondContact O-N 2.9Å; E358-S360 VanDerWaalsContact O-N 3.09Å; S360-N367 PolarHBondContact O-ND2 2.94Å
361	L	96.4	Very high	95.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	41.6	-176.2	-59.5	177.5	0	0	0	111.6	Y170 A173 I322 F350 G351 E358 Y369 F377	Y170-L361 HydrophobicContact CD2-CD2 3.89Å; A173-L361 HydrophobicContact CB-CD1 3.66Å; I322-L361 HydrophobicContact CD1-CD2 4.22Å; F350-L361 CarbonylContact C-O 3.03Å; F350-L361 VanDerWaalsContact CA-O 3.26Å; F350-L361 WeakPolarHBondContact CA-O 3.38Å; G351-L361 PolarHBondContact N-O 2.92Å; E358-L361 HydrophobicContact CB-CB 4.02Å; E358-L361 HydrophobicContact CB-CD1 4.32Å; E358-L361 HydrophobicContact CB-CG 4.36Å; E358-L361 CarbonylContact O-C 3.51Å; E358-L361 PolarHBondContact O-N 2.8Å; L361-Y369 HydrophobicContact CD2-CD2 4.02Å; L361-Y369 HydrophobicContact CD2-CG 4.12Å; L361-F377 HydrophobicContact CB-CE1 4.4Å; L361-F377 HydrophobicContact CB-CZ 4.5Å; L361-F377 WeakPolarHBondContact O-CE1 3.49Å
362	V	97.9	Very high	95.8	Very high	11 Å²	11	43.8 Å²	43.8	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.6	176.1	179.5	0	0	0	0	110.4	I322 N347 F350 G359 N364 N367	I322-V362 WeakPolarHBondContact CG2-O 3.45Å; N347-V362 HydrophobicContact CB-CG1 3.62Å; F350-V362 HydrophobicContact CB-CG2 4.19Å; G359-V362 WeakPolarHBondContact O-CG2 3.46Å; V362-N364 HydrophobicContact CG1-CB 4.42Å; V362-N364 PolarHBondContact O-N 3.21Å; V362-N367 PolarHBondContact N-ND2 2.89Å; V362-N367 WeakPolarHBondContact O-CB 3.29Å; V362-N367 PolarHBondContact O-ND2 2.96Å
363	I	98.2	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.			trans	-78	97.3	175.3	-52.4	176.5	0	0	0	109.5	L316 I322 V325 N347 L348 G349 F377 I379	L316-I363 HydrophobicContact CD1-CD1 3.95Å; I322-I363 HydrophobicContact CG2-CB 4.16Å; I322-I363 HydrophobicContact CG2-CG1 4.1Å; I322-I363 HydrophobicContact CG2-CG2 4.27Å; V325-I363 HydrophobicContact CG1-CG2 4.46Å; N347-I363 VanDerWaalsContact CA-O 3.28Å; N347-I363 WeakPolarHBondContact CA-O 3.38Å; N347-I363 VanDerWaalsContact CB-O 3.31Å; N347-I363 WeakPolarHBondContact CB-O 3.49Å; L348-I363 HydrophobicContact CB-CB 4.3Å; L348-I363 HydrophobicContact CB-CG2 3.99Å; L348-I363 PolarHBondContact N-O 3.5Å; G349-I363 PolarHBondContact O-N 2.87Å; I363-F377 HydrophobicContact CD1-CD1 3.87Å; I363-F377 HydrophobicContact CD1-CE1 4.36Å; I363-F377 HydrophobicContact CG1-CD1 3.99Å; I363-F377 HydrophobicContact CG1-CE1 4.06Å; I363-I379 HydrophobicContact CD1-CG2 4.3Å
364	N	97.3	Very high	95.8	Very high	44 Å²	44	49.1 Å²	49.1	24%	0.235	25%	0.247	C	C	.	.	S	Bend	trans	-148.8	172.7	-179.7	66	48.1	0	0	0	110.8	C323 V362 K366 N367	C323-N364 WeakPolarHBondContact CA-O 3.42Å; V362-N364 HydrophobicContact CG1-CB 4.42Å; V362-N364 PolarHBondContact O-N 3.21Å; N364-K366 PolarHBondContact O-N 3.36Å; N364-K366 VanDerWaalsContact O-N 3.07Å; N364-K366 PolarHBondContact OD1-N 2.76Å; N364-N367 PolarHBondContact OD1-N 2.77Å
365	S	96	Very high	95.9	Very high	62 Å²	62	48.7 Å²	48.7	43%	0.434	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.2	-176.9	56.9	0	0	0	0	116.1
366	K	95.8	Very high	96.1	Very high	170 Å²	170	47.7 Å²	47.7	74%	0.739	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-19.9	-172.7	-62.1	-176.7	-179.3	-178.5	0	113.6	N364 Q368	N364-K366 PolarHBondContact O-N 3.36Å; N364-K366 VanDerWaalsContact O-N 3.07Å; N364-K366 PolarHBondContact OD1-N 2.76Å; K366-Q368 PolarHBondContact O-N 3.05Å
367	N	95.6	Very high	96.2	Very high	16 Å²	16	47 Å²	47	9%	0.086	24%	0.237	C	C	.	.			trans	-73.4	111.5	-170.2	-165.4	-25.9	0	0	0	112.1	I322 C323 S360 V362 N364 Y369	I322-N367 HydrophobicContact CB-CB 4.01Å; I322-N367 HydrophobicContact CG2-CB 3.72Å; C323-N367 WeakPolarHBondContact CB-O 3.46Å; C323-N367 PolarHBondContact N-O 3.07Å; S360-N367 PolarHBondContact O-ND2 2.94Å; V362-N367 PolarHBondContact N-ND2 2.89Å; V362-N367 WeakPolarHBondContact O-CB 3.29Å; V362-N367 PolarHBondContact O-ND2 2.96Å; N364-N367 PolarHBondContact OD1-N 2.77Å; N367-Y369 WeakPolarHBondContact OD1-CB 3.38Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.5Å; N367-Y369 PolarHBondContact OD1-N 3Å; N367-Y369 VanDerWaalsContact OD1-N 3.11Å
368	Q	95.1	Very high	96.3	Very high	109 Å²	109	41.3 Å²	41.3	51%	0.509	22%	0.215	S	C	.	.			trans	-89.4	-4.2	-175.9	-64.8	-60.2	-45.9	0	0	114.3	K321 K366	K321-Q368 VanDerWaalsContact NZ-OE1 3.07Å; K366-Q368 PolarHBondContact O-N 3.05Å
369	Y	95.4	Very high	96.5	Very high	45 Å²	45	41 Å²	41	18%	0.176	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-61.7	142.2	178.5	-78.1	-70.9	0	0	0	111	Y170 K321 I322 L361 N367	Y170-Y369 AromaticContact CD1-CD1 3.83Å; Y170-Y369 HydrophobicContact CD1-CD1 3.83Å; Y170-Y369 AromaticContact CD1-CE1 3.74Å; Y170-Y369 HydrophobicContact CD1-CE1 3.74Å; Y170-Y369 AromaticContact CD2-CD1 3.54Å; Y170-Y369 HydrophobicContact CD2-CD1 3.54Å; Y170-Y369 AromaticContact CD2-CE1 3.99Å; Y170-Y369 HydrophobicContact CD2-CE1 3.99Å; Y170-Y369 HydrophobicContact CD2-CG 4.06Å; Y170-Y369 AromaticContact CE1-CD1 3.86Å; Y170-Y369 HydrophobicContact CE1-CD1 3.86Å; Y170-Y369 HydrophobicContact CE1-CE1 4.18Å; Y170-Y369 AromaticContact CE2-CD1 3.57Å; Y170-Y369 HydrophobicContact CE2-CD1 3.57Å; Y170-Y369 HydrophobicContact CE2-CE1 4.39Å; Y170-Y369 HydrophobicContact CE2-CG 4.06Å; Y170-Y369 AromaticContact CG-CD1 3.67Å; Y170-Y369 HydrophobicContact CG-CD1 3.67Å; Y170-Y369 AromaticContact CG-CE1 3.64Å; Y170-Y369 HydrophobicContact CG-CE1 3.64Å; Y170-Y369 AromaticContact CZ-CD1 3.74Å; K321-Y369 WeakPolarHBondContact CA-O 3.32Å; I322-Y369 WeakPolarHBondContact CG1-O 3.27Å; I322-Y369 PolarHBondContact N-O 3.23Å; L361-Y369 HydrophobicContact CD2-CD2 4.02Å; L361-Y369 HydrophobicContact CD2-CG 4.12Å; N367-Y369 WeakPolarHBondContact OD1-CB 3.38Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.5Å; N367-Y369 PolarHBondContact OD1-N 3Å; N367-Y369 VanDerWaalsContact OD1-N 3.11Å
370	K	95.9	Very high	96.8	Very high	115 Å²	115	38.4 Å²	38.4	50%	0.5	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-87.6	136.7	172.8	-68.4	-176.2	176.9	-175.7	0	110.7	Y170 V320 K321	Y170-K370 WeakPolarHBondContact CE2-O 3.34Å; Y170-K370 PolarHBondContact OH-O 3.05Å; V320-K370 WeakPolarHBondContact O-CA 3.4Å; K321-K370 HydrophobicContact CG-CG 4.19Å
371	L	97.4	Very high	97	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-65.3	139	173.5	-66.8	172.5	0	0	0	110.7	L316 R317 H318 G319 V320 I322 V325 F377 V409	L316-L371 HydrophobicContact CD1-CD1 3.78Å; L316-L371 HydrophobicContact CD1-CD2 4.23Å; L316-L371 HydrophobicContact CG-CD1 4.06Å; R317-L371 WeakPolarHBondContact O-CB 3.17Å; H318-L371 PolarHBondContact ND1-O 3.45Å; H318-L371 VanDerWaalsContact ND1-O 3.1Å; G319-L371 PolarHBondContact N-O 3.07Å; V320-L371 HydrophobicContact CB-CD1 4.45Å; V320-L371 PolarHBondContact O-N 2.92Å; I322-L371 HydrophobicContact CD1-CD2 4.3Å; I322-L371 HydrophobicContact CG1-CD2 3.77Å; I322-L371 HydrophobicContact CG1-CG 4.09Å; V325-L371 HydrophobicContact CG2-CD1 3.84Å; L371-F377 HydrophobicContact CD2-CD2 4.42Å; L371-F377 HydrophobicContact CD2-CE1 4.3Å; L371-F377 HydrophobicContact CD2-CE2 3.47Å; L371-F377 VanDerWaalsContact CD2-CE2 3.47Å; L371-F377 HydrophobicContact CD2-CZ 3.42Å; L371-F377 VanDerWaalsContact CD2-CZ 3.42Å; L371-V409 HydrophobicContact CB-CG1 4.29Å; L371-V409 HydrophobicContact CD2-CG2 4.37Å
372	K	96.5	Very high	97.1	Very high	72 Å²	72	36.6 Å²	36.6	31%	0.313	17%	0.174	S	C	.	.			trans	-120.7	139.5	177.4	-67.9	176	174.7	163.7	0	109.9	Y170 V174 H318 G374 M375 V409	Y170-K372 WeakPolarHBondContact OH-CE 3.28Å; V174-K372 HydrophobicContact CG2-CB 3.57Å; V174-K372 HydrophobicContact CG2-CD 3.92Å; V174-K372 HydrophobicContact CG2-CG 4.39Å; H318-K372 WeakPolarHBondContact ND1-CA 3.19Å; K372-G374 PolarHBondContact O-N 2.99Å; K372-M375 HydrophobicContact CB-CE 3.66Å; K372-M375 HydrophobicContact CB-CG 4.12Å; K372-M375 HydrophobicContact CB-SD 3.97Å; K372-M375 HydrophobicContact CD-CE 3.83Å; K372-M375 HydrophobicContact CG-CE 3.85Å; K372-M375 PolarHBondContact N-SD 3.12Å; K372-M375 VanDerWaalsContact O-CB 3.32Å; K372-M375 WeakPolarHBondContact O-CB 3.47Å; K372-M375 VanDerWaalsContact O-CG 3.27Å; K372-M375 WeakPolarHBondContact O-CG 3.31Å; K372-M375 PolarHBondContact O-N 2.92Å; K372-V409 WeakPolarHBondContact O-CG1 3.25Å
373	K	96.9	Very high	97.1	Very high	107 Å²	107	36 Å²	36	47%	0.465	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	135.2	167.4	-178.9	-162.6	-171.3	166.2	0	109.5	V174 H318 M375 V409 E411	V174-K373 WeakPolarHBondContact CG1-O 3.22Å; H318-K373 PolarHBondContact ND1-N 2.8Å; K373-M375 VanDerWaalsContact C-N 3.32Å; K373-V409 WeakPolarHBondContact CA-O 3.15Å; K373-E411 HydrophobicContact CB-CB 4.43Å; K373-E411 HydrophobicContact CD-CB 3.81Å; K373-E411 HydrophobicContact CD-CG 4.26Å; K373-E411 WeakPolarHBondContact CE-OE2 3.31Å; K373-E411 HydrophobicContact CG-CB 4.07Å; K373-E411 IonicContact NZ-OE2 3.01Å; K373-E411 PolarHBondContact NZ-OE2 3.04Å
374	G	96.7	Very high	96.9	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-1	179.3	0	0	0	0	0	114.6	K175 K372 V409	K175-G374 WeakPolarHBondContact CB-O 3.39Å; K175-G374 WeakPolarHBondContact CG-O 3.41Å; K175-G374 PolarHBondContact N-O 2.92Å; K372-G374 PolarHBondContact O-N 2.99Å; G374-V409 PolarHBondContact N-O 2.93Å
375	M	98.2	Very high	96.7	Very high	2 Å²	2	40 Å²	40	1%	0.01	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-72.5	144.8	165	-69.4	-179.8	171.8	0	0	110.1	Y170 A173 V174 K372 K373 F377 V409	Y170-M375 HydrophobicContact CD2-CE 3.68Å; Y170-M375 HydrophobicContact CE2-CE 3.3Å; A173-M375 HydrophobicContact CB-CE 3.59Å; A173-M375 HydrophobicContact CB-CG 3.99Å; A173-M375 HydrophobicContact CB-SD 4.25Å; V174-M375 HydrophobicContact CG2-CE 4.2Å; V174-M375 HydrophobicContact CG2-CG 4.06Å; K372-M375 HydrophobicContact CB-CE 3.66Å; K372-M375 HydrophobicContact CB-CG 4.12Å; K372-M375 HydrophobicContact CB-SD 3.97Å; K372-M375 HydrophobicContact CD-CE 3.83Å; K372-M375 HydrophobicContact CG-CE 3.85Å; K372-M375 PolarHBondContact N-SD 3.12Å; K372-M375 VanDerWaalsContact O-CB 3.32Å; K372-M375 WeakPolarHBondContact O-CB 3.47Å; K372-M375 VanDerWaalsContact O-CG 3.27Å; K372-M375 WeakPolarHBondContact O-CG 3.31Å; K372-M375 PolarHBondContact O-N 2.92Å; K373-M375 VanDerWaalsContact C-N 3.32Å; M375-F377 HydrophobicContact CB-CD2 4.29Å; M375-F377 HydrophobicContact CB-CE2 3.79Å; M375-F377 HydrophobicContact SD-CE2 4.25Å; M375-V409 HydrophobicContact CB-CB 4.36Å; M375-V409 HydrophobicContact CB-CG2 4.08Å; M375-V409 PolarHBondContact O-N 3.11Å
376	V	98.5	Very high	96.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.1	175.5	-177.8	0	0	0	0	108.8	K175 L180 M183 G351 M352 T406 V407 L408 L418	K175-V376 HydrophobicContact CG-CG2 4.1Å; L180-V376 HydrophobicContact CD2-CG2 3.8Å; M183-V376 HydrophobicContact CE-CB 3.7Å; M183-V376 HydrophobicContact CE-CG1 3.41Å; M183-V376 VanDerWaalsContact CE-CG1 3.41Å; M183-V376 HydrophobicContact CE-CG2 4.16Å; M183-V376 HydrophobicContact SD-CB 3.92Å; M183-V376 HydrophobicContact SD-CG1 4.13Å; M183-V376 HydrophobicContact SD-CG2 3.75Å; G351-V376 WeakPolarHBondContact CA-O 3.38Å; M352-V376 HydrophobicContact CG-CG1 4.03Å; M352-V376 PolarHBondContact N-O 3.05Å; M352-V376 HydrophobicContact SD-CG1 4.45Å; V376-T406 HydrophobicContact CG1-CG2 3.57Å; V376-V407 CarbonylContact C-O 3.5Å; V376-V407 VanDerWaalsContact CA-O 3.27Å; V376-V407 WeakPolarHBondContact CA-O 3.48Å; V376-V407 WeakPolarHBondContact CG1-O 3.34Å; V376-L408 HydrophobicContact CG2-CD1 3.96Å; V376-L418 HydrophobicContact CG1-CD1 4.49Å
377	F	98.6	Very high	96.6	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.6	179.2	-76.6	-106.4	0	0	0	109.7	L316 I322 F350 L361 I363 L371 M375 I379 V407 V409	L316-F377 HydrophobicContact CD2-CB 4.4Å; I322-F377 HydrophobicContact CD1-CE1 4.27Å; I322-F377 HydrophobicContact CD1-CZ 4.07Å; F350-F377 CarbonylContact O-C 3.58Å; F350-F377 VanDerWaalsContact O-CA 3.28Å; F350-F377 WeakPolarHBondContact O-CA 3.41Å; L361-F377 HydrophobicContact CB-CE1 4.4Å; L361-F377 HydrophobicContact CB-CZ 4.5Å; L361-F377 WeakPolarHBondContact O-CE1 3.49Å; I363-F377 HydrophobicContact CD1-CD1 3.87Å; I363-F377 HydrophobicContact CD1-CE1 4.36Å; I363-F377 HydrophobicContact CG1-CD1 3.99Å; I363-F377 HydrophobicContact CG1-CE1 4.06Å; L371-F377 HydrophobicContact CD2-CD2 4.42Å; L371-F377 HydrophobicContact CD2-CE1 4.3Å; L371-F377 HydrophobicContact CD2-CE2 3.47Å; L371-F377 VanDerWaalsContact CD2-CE2 3.47Å; L371-F377 HydrophobicContact CD2-CZ 3.42Å; L371-F377 VanDerWaalsContact CD2-CZ 3.42Å; M375-F377 HydrophobicContact CB-CD2 4.29Å; M375-F377 HydrophobicContact CB-CE2 3.79Å; M375-F377 HydrophobicContact SD-CE2 4.25Å; F377-I379 HydrophobicContact CB-CG2 4.37Å; F377-V407 HydrophobicContact CB-CG2 3.95Å; F377-V407 PolarHBondContact N-O 3.18Å; F377-V407 WeakPolarHBondContact O-CG2 3.48Å; F377-V407 PolarHBondContact O-N 3.16Å; F377-V409 HydrophobicContact CD2-CG2 3.96Å; F377-V409 HydrophobicContact CE2-CG2 4.09Å
378	S	98.3	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.8	154.1	177.4	0	0	0	0	107.5	N285 G349 F350 N380 D405	N285-S378 PolarHBondContact ND2-OG 3.39Å; G349-S378 CarbonylContact C-O 3.52Å; G349-S378 WeakPolarHBondContact CA-O 3.44Å; F350-S378 PolarHBondContact N-O 3.06Å; F350-S378 PolarHBondContact O-N 2.85Å; S378-N380 PolarHBondContact O-ND2 3.44Å; S378-N380 PolarHBondContact OG-ND2 2.88Å; S378-D405 WeakPolarHBondContact CA-O 3.33Å
379	I	98	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.5	171.6	61.3	168.6	0	0	0	107.8	Q309 L312 L313 L316 L348 I363 F377 G404 D405 V407	Q309-I379 HydrophobicContact CG-CD1 3.72Å; L312-I379 HydrophobicContact CD2-CB 4Å; L312-I379 HydrophobicContact CD2-CD1 4.06Å; L312-I379 HydrophobicContact CD2-CG2 3.41Å; L312-I379 VanDerWaalsContact CD2-CG2 3.41Å; L313-I379 HydrophobicContact CD2-CD1 3.68Å; L313-I379 HydrophobicContact CG-CD1 4.04Å; L316-I379 HydrophobicContact CD2-CG2 4.31Å; L348-I379 WeakPolarHBondContact O-CA 3.5Å; I363-I379 HydrophobicContact CD1-CG2 4.3Å; F377-I379 HydrophobicContact CB-CG2 4.37Å; I379-G404 CarbonylContact O-C 3.58Å; I379-G404 WeakPolarHBondContact O-CA 3.43Å; I379-D405 HydrophobicContact CG1-CB 4.24Å; I379-D405 WeakPolarHBondContact CG1-O 3.25Å; I379-D405 PolarHBondContact N-O 2.92Å; I379-D405 PolarHBondContact O-N 2.83Å; I379-V407 HydrophobicContact CD1-CG1 3.7Å; I379-V407 HydrophobicContact CG1-CG1 3.81Å; I379-V407 HydrophobicContact CG1-CG2 4.3Å; I379-V407 HydrophobicContact CG2-CG2 3.58Å
380	N	96.7	Very high	95.5	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	119.5	-179.2	30.1	62.6	0	0	0	109.6	F257 L348 G349 S378 F402 I403	F257-N380 HydrophobicContact CE2-CB 4.41Å; F257-N380 VanDerWaalsContact CE2-ND2 3.31Å; F257-N380 WeakPolarHBondContact CE2-ND2 2.96Å; F257-N380 HydrophobicContact CZ-CB 4.21Å; F257-N380 WeakPolarHBondContact CZ-ND2 3.45Å; L348-N380 CarbonylContact C-O 3.6Å; L348-N380 VanDerWaalsContact C-O 3.3Å; L348-N380 WeakPolarHBondContact CA-O 3.48Å; L348-N380 PolarHBondContact O-N 2.86Å; G349-N380 WeakPolarHBondContact CA-OD1 3.35Å; G349-N380 PolarHBondContact N-OD1 3.32Å; S378-N380 PolarHBondContact O-ND2 3.44Å; S378-N380 PolarHBondContact OG-ND2 2.88Å; N380-F402 HydrophobicContact CB-CE2 3.72Å; N380-F402 HydrophobicContact CB-CZ 3.84Å; N380-I403 VanDerWaalsContact CA-O 3.32Å; N380-I403 WeakPolarHBondContact CA-O 3.46Å
381	L	97.5	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.2	-179	-56.7	90.3	0	0	0	107.7	L305 L308 Q309 L312 V329 L348 F402 I403	L305-L381 HydrophobicContact CD1-CB 3.78Å; L308-L381 HydrophobicContact CB-CD2 4.04Å; Q309-L381 HydrophobicContact CB-CD1 4.1Å; Q309-L381 HydrophobicContact CG-CD1 3.94Å; L312-L381 HydrophobicContact CD1-CD1 3.98Å; L312-L381 HydrophobicContact CD1-CD2 4.16Å; L312-L381 HydrophobicContact CD1-CG 4.34Å; V329-L381 HydrophobicContact CG1-CD2 4.04Å; L348-L381 HydrophobicContact CD2-CD2 3.96Å; L348-L381 HydrophobicContact CD2-CG 4.1Å; L381-F402 VanDerWaalsContact O-CD2 3.31Å; L381-F402 WeakPolarHBondContact O-CD2 3.36Å; L381-I403 PolarHBondContact N-O 2.71Å; L381-I403 PolarHBondContact O-N 3.07Å; L381-I403 VanDerWaalsContact O-O 3.13Å
382	G	97.7	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161.1	173.9	0	0	0	0	0	112.9	I344 T345 L401	I344-G382 CarbonylContact C-O 3.58Å; I344-G382 VanDerWaalsContact CA-O 3.27Å; I344-G382 WeakPolarHBondContact CA-O 3.49Å; T345-G382 PolarHBondContact N-O 3.47Å; T345-G382 PolarHBondContact OG1-N 2.88Å; G382-L401 CarbonylContact C-O 3.57Å; G382-L401 WeakPolarHBondContact CA-O 3.49Å
383	F	98.1	Very high	93.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.2	169.6	-64.5	-62.6	0	0	0	108.3	F304 L305 L308 L340 K343 I344 L386 A400 L401	F304-F383 HydrophobicContact CD1-CE2 4.05Å; F304-F383 AromaticContact CD1-CZ 3.89Å; F304-F383 HydrophobicContact CD1-CZ 3.89Å; F304-F383 HydrophobicContact CE1-CZ 4.05Å; L305-F383 HydrophobicContact CB-CD2 4.25Å; L305-F383 HydrophobicContact CB-CE2 3.96Å; L305-F383 HydrophobicContact CD1-CD2 3.91Å; L305-F383 HydrophobicContact CD1-CE2 3.73Å; L305-F383 HydrophobicContact CD1-CZ 4.35Å; L305-F383 HydrophobicContact CG-CD2 4.45Å; L305-F383 HydrophobicContact CG-CE2 4.38Å; L308-F383 HydrophobicContact CD1-CE2 4.32Å; L308-F383 HydrophobicContact CD1-CZ 3.68Å; L340-F383 HydrophobicContact CB-CD1 4.09Å; L340-F383 HydrophobicContact CB-CE1 3.61Å; L340-F383 HydrophobicContact CB-CZ 4.1Å; L340-F383 HydrophobicContact CD1-CD2 4.49Å; L340-F383 HydrophobicContact CD1-CE1 4.08Å; L340-F383 HydrophobicContact CD1-CE2 4.01Å; L340-F383 HydrophobicContact CD1-CZ 3.79Å; L340-F383 HydrophobicContact CG-CE1 4.4Å; K343-F383 HydrophobicContact CB-CB 4.49Å; K343-F383 HydrophobicContact CB-CD1 4.15Å; K343-F383 WeakPolarHBondContact O-CA 3.32Å; I344-F383 HydrophobicContact CB-CD1 3.94Å; I344-F383 HydrophobicContact CB-CE1 3.73Å; I344-F383 HydrophobicContact CD1-CE1 4.17Å; I344-F383 HydrophobicContact CG1-CD1 4.35Å; I344-F383 HydrophobicContact CG1-CE1 4Å; F383-L386 HydrophobicContact CB-CD1 3.72Å; F383-L386 HydrophobicContact CB-CD2 4.15Å; F383-L386 HydrophobicContact CB-CG 4.01Å; F383-A400 CarbonylContact O-C 3.44Å; F383-A400 WeakPolarHBondContact O-CA 3.33Å; F383-A400 VanDerWaalsContact O-CB 3.29Å; F383-A400 WeakPolarHBondContact O-CB 3.45Å; F383-L401 PolarHBondContact N-O 3.3Å; F383-L401 PolarHBondContact O-N 3.42Å
384	S	95	Very high	93.3	Very high	31 Å²	31	46.8 Å²	46.8	22%	0.217	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	164.4	172.3	63.8	0	0	0	0	110.9	K343 L386	K343-S384 WeakPolarHBondContact CB-O 3.31Å; K343-S384 WeakPolarHBondContact CD-O 3.36Å; K343-S384 PolarHBondContact O-N 2.83Å; S384-L386 VanDerWaalsContact C-N 3.28Å; S384-L386 PolarHBondContact O-N 2.76Å
385	D	93.6	Very high	92.8	Very high	95 Å²	95	50.6 Å²	50.6	51%	0.508	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58	36.3	176.6	-46.8	-52	0	0	0	113.6	K343	K343-D385 HydrophobicContact CD-CB 4.16Å; K343-D385 WeakPolarHBondContact CE-O 3.41Å; K343-D385 PolarHBondContact NZ-O 2.93Å
386	L	95.8	Very high	92.3	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.052	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140	171.5	-62.7	176.9	0	0	0	109.4	L340 K343 F383 S384 T398 Y399 L401	L340-L386 HydrophobicContact CD2-CD2 3.66Å; K343-L386 HydrophobicContact CB-CD2 4.38Å; K343-L386 HydrophobicContact CG-CD2 4.31Å; F383-L386 HydrophobicContact CB-CD1 3.72Å; F383-L386 HydrophobicContact CB-CD2 4.15Å; F383-L386 HydrophobicContact CB-CG 4.01Å; S384-L386 VanDerWaalsContact C-N 3.28Å; S384-L386 PolarHBondContact O-N 2.76Å; L386-T398 CarbonylContact O-C 3.5Å; L386-T398 VanDerWaalsContact O-CA 3.22Å; L386-T398 WeakPolarHBondContact O-CA 3.28Å; L386-Y399 HydrophobicContact CB-CD1 3.78Å; L386-Y399 HydrophobicContact CB-CD2 4.19Å; L386-Y399 HydrophobicContact CB-CE1 3.48Å; L386-Y399 VanDerWaalsContact CB-CE1 3.48Å; L386-Y399 HydrophobicContact CB-CE2 3.91Å; L386-Y399 HydrophobicContact CB-CG 4.13Å; L386-Y399 WeakPolarHBondContact CB-O 3.45Å; L386-Y399 HydrophobicContact CD1-CD2 4.02Å; L386-Y399 HydrophobicContact CD1-CE1 4.41Å; L386-Y399 HydrophobicContact CD1-CE2 3.36Å; L386-Y399 HydrophobicContact CG-CE2 4.28Å; L386-Y399 PolarHBondContact N-O 2.99Å; L386-Y399 VanDerWaalsContact N-O 3.08Å; L386-Y399 PolarHBondContact O-N 2.8Å; L386-L401 HydrophobicContact CD1-CD1 4.16Å; L386-L401 HydrophobicContact CD1-CG 4.2Å
387	T	92.6	Very high	91.9	Very high	93 Å²	93	57.7 Å²	57.7	57%	0.571	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.1	179.3	-53.6	0	0	0	0	109.6
388	N	90.9	Very high	91.7	Very high	36 Å²	36	60.2 Å²	60.2	19%	0.193	30%	0.302	C	S	.	.			trans	-94	114.7	167.3	-177.7	6.9	0	0	0	109	E390 G391 E396 K397 Y399	N388-E390 VanDerWaalsContact C-N 3.29Å; N388-E390 PolarHBondContact O-N 3.32Å; N388-E390 PolarHBondContact OD1-N 2.97Å; N388-E390 VanDerWaalsContact OD1-N 3.14Å; N388-G391 PolarHBondContact O-N 3.1Å; N388-E396 WeakPolarHBondContact CB-O 3.27Å; N388-E396 PolarHBondContact ND2-O 2.94Å; N388-K397 PolarHBondContact N-O 2.68Å; N388-Y399 HydrophobicContact CB-CD1 3.99Å; N388-Y399 HydrophobicContact CB-CE1 4.3Å
389	K	87.6	Confident	91.6	Very high	156 Å²	156	60.7 Å²	60.7	68%	0.678	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-25.3	-178.5	-63.6	175.9	-166.9	124.1	0	112.9	E297 G391	E297-K389 IonicContact OE1-NZ 3.69Å; E297-K389 PolarHBondContact OE1-NZ 2.9Å; E297-K389 IonicContact OE2-NZ 3.41Å; E297-K389 PolarHBondContact OE2-NZ 3.41Å; K389-G391 VanDerWaalsContact C-N 3.34Å
390	E	85.2	Confident	91.6	Very high	134 Å²	134	60.7 Å²	60.7	63%	0.626	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.9	180	-66.9	165.7	-160.6	0	0	112.1	S295 N388 K392	S295-E390 WeakPolarHBondContact CB-OE2 3.39Å; N388-E390 VanDerWaalsContact C-N 3.29Å; N388-E390 PolarHBondContact O-N 3.32Å; N388-E390 PolarHBondContact OD1-N 2.97Å; N388-E390 VanDerWaalsContact OD1-N 3.14Å; E390-K392 PolarHBondContact O-N 3.03Å
391	G	82.6	Confident	91.7	Very high	11 Å²	11	60.5 Å²	60.5	11%	0.113	30%	0.303	C	S	.	.			trans	-67.1	113	-179.2	0	0	0	0	0	112.6	N388 K389 E396	N388-G391 PolarHBondContact O-N 3.1Å; K389-G391 VanDerWaalsContact C-N 3.34Å; G391-E396 VanDerWaalsContact CA-CB 3.48Å
392	K	84.7	Confident	91.7	Very high	183 Å²	183	61 Å²	61	80%	0.796	31%	0.305	S	S	*	.			trans	-85.6	-43.1	178.8	-64.7	176.2	-175	169.5	0	110.2	E390 E396	E390-K392 PolarHBondContact O-N 3.03Å; K392-E396 PolarHBondContact N-OE2 2.94Å
393	K	87.2	Confident	91.7	Very high	123 Å²	123	61 Å²	61	54%	0.535	31%	0.305	S	S	.	.	S	Bend	trans	-85.8	151.5	-178.4	-58.8	178.5	-169.7	153.4	0	111.6	E395 E396 K397	K393-E395 WeakPolarHBondContact CB-OE2 2.92Å; K393-E395 PolarHBondContact O-N 2.94Å; K393-E395 VanDerWaalsContact O-N 3.15Å; K393-E396 HydrophobicContact CB-CG 4.17Å; K393-E396 WeakPolarHBondContact CD-OE1 3.25Å; K393-E396 PolarHBondContact N-OE2 2.93Å; K393-E396 IonicContact NZ-OE1 3.24Å; K393-E396 PolarHBondContact O-N 3.08Å; K393-K397 WeakPolarHBondContact O-CG 3.37Å; K393-K397 PolarHBondContact O-N 3.09Å
394	P	85.9	Confident	91.7	Very high	94 Å²	94	61 Å²	61	61%	0.61	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-36.8	177.1	-27.5	35.1	0	0	0	114.4	E396	P394-E396 VanDerWaalsContact C-N 3.29Å; P394-E396 PolarHBondContact O-N 2.76Å
395	E	87	Confident	91.9	Very high	87 Å²	87	59.5 Å²	59.5	41%	0.407	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.9	-179.4	-58.8	79.4	-175	0	0	112.8	G250 G251 H267 K393	G250-E395 CarbonylContact C-O 3.6Å; G250-E395 WeakPolarHBondContact CA-O 3.47Å; G251-E395 PolarHBondContact N-O 3.18Å; G251-E395 VanDerWaalsContact N-O 3.14Å; H267-E395 VanDerWaalsContact CD2-CB 3.46Å; H267-E395 WeakPolarHBondContact CD2-CB 3.45Å; K393-E395 WeakPolarHBondContact CB-OE2 2.92Å; K393-E395 PolarHBondContact O-N 2.94Å; K393-E395 VanDerWaalsContact O-N 3.15Å
396	E	87.6	Confident	92.1	Very high	48 Å²	48	55 Å²	55	22%	0.224	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-24.6	-178.5	-64.1	162.4	-169.8	0	0	112.5	H267 N388 G391 K392 K393 P394 T398	H267-E396 VanDerWaalsContact CE1-CG 3.41Å; H267-E396 WeakPolarHBondContact CE1-CG 3.38Å; H267-E396 WeakPolarHBondContact NE2-CG 3.35Å; H267-E396 IonicContact NE2-OE1 3.89Å; N388-E396 WeakPolarHBondContact CB-O 3.27Å; N388-E396 PolarHBondContact ND2-O 2.94Å; G391-E396 VanDerWaalsContact CA-CB 3.48Å; K392-E396 PolarHBondContact N-OE2 2.94Å; K393-E396 HydrophobicContact CB-CG 4.17Å; K393-E396 WeakPolarHBondContact CD-OE1 3.25Å; K393-E396 PolarHBondContact N-OE2 2.93Å; K393-E396 IonicContact NZ-OE1 3.24Å; K393-E396 PolarHBondContact O-N 3.08Å; P394-E396 VanDerWaalsContact C-N 3.29Å; P394-E396 PolarHBondContact O-N 2.76Å; E396-T398 VanDerWaalsContact C-N 3.28Å; E396-T398 PolarHBondContact O-N 2.91Å
397	K	90	Very high	92.3	Very high	106 Å²	106	54.5 Å²	54.5	46%	0.461	27%	0.268	S	S	.	.	S	Bend	trans	-64.2	-29	-170.8	-78.2	178.2	-174.6	-178.3	0	114.3	N388 K393	N388-K397 PolarHBondContact N-O 2.68Å; K393-K397 WeakPolarHBondContact O-CG 3.37Å; K393-K397 PolarHBondContact O-N 3.09Å
398	T	94.1	Very high	92.5	Very high	53 Å²	53	50.8 Å²	50.8	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.8	-179.9	52.5	0	0	0	0	111.1	G251 Y253 L386 E396	G251-T398 WeakPolarHBondContact CA-O 3.17Å; G251-T398 WeakPolarHBondContact CA-OG1 3.44Å; G251-T398 PolarHBondContact O-OG1 2.85Å; Y253-T398 WeakPolarHBondContact CE2-O 3.32Å; L386-T398 CarbonylContact O-C 3.5Å; L386-T398 VanDerWaalsContact O-CA 3.22Å; L386-T398 WeakPolarHBondContact O-CA 3.28Å; E396-T398 VanDerWaalsContact C-N 3.28Å; E396-T398 PolarHBondContact O-N 2.91Å
399	Y	96.3	Very high	92.9	Very high	11 Å²	11	49.1 Å²	49.1	4%	0.043	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	165.4	176.4	73.1	-79.7	0	0	0	111.7	Y253 A270 V298 N301 L386 N388 L401	Y253-Y399 VanDerWaalsContact CE2-CA 3.43Å; A270-Y399 HydrophobicContact CB-CD2 4.41Å; V298-Y399 HydrophobicContact CB-CE2 4.32Å; V298-Y399 HydrophobicContact CG1-CD2 4.34Å; V298-Y399 HydrophobicContact CG1-CE2 3.93Å; V298-Y399 HydrophobicContact CG2-CD2 4.49Å; V298-Y399 HydrophobicContact CG2-CE1 4.04Å; V298-Y399 HydrophobicContact CG2-CE2 3.97Å; N301-Y399 PolarHBondContact ND2-OH 2.81Å; L386-Y399 HydrophobicContact CB-CD1 3.78Å; L386-Y399 HydrophobicContact CB-CD2 4.19Å; L386-Y399 HydrophobicContact CB-CE1 3.48Å; L386-Y399 VanDerWaalsContact CB-CE1 3.48Å; L386-Y399 HydrophobicContact CB-CE2 3.91Å; L386-Y399 HydrophobicContact CB-CG 4.13Å; L386-Y399 WeakPolarHBondContact CB-O 3.45Å; L386-Y399 HydrophobicContact CD1-CD2 4.02Å; L386-Y399 HydrophobicContact CD1-CE1 4.41Å; L386-Y399 HydrophobicContact CD1-CE2 3.36Å; L386-Y399 HydrophobicContact CG-CE2 4.28Å; L386-Y399 PolarHBondContact N-O 2.99Å; L386-Y399 VanDerWaalsContact N-O 3.08Å; L386-Y399 PolarHBondContact O-N 2.8Å; N388-Y399 HydrophobicContact CB-CD1 3.99Å; N388-Y399 HydrophobicContact CB-CE1 4.3Å; Y399-L401 HydrophobicContact CD2-CD2 3.97Å; Y399-L401 HydrophobicContact CD2-CG 4.05Å; Y399-L401 HydrophobicContact CE2-CD1 4.01Å; Y399-L401 HydrophobicContact CE2-CD2 4.02Å; Y399-L401 HydrophobicContact CE2-CG 3.84Å
400	A	97.6	Very high	93.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.1	171.4	0	0	0	0	0	110.2	Y253 L255 F383	Y253-A400 HydrophobicContact CD1-CB 3.58Å; Y253-A400 HydrophobicContact CD2-CB 3.8Å; Y253-A400 HydrophobicContact CE1-CB 4.19Å; Y253-A400 HydrophobicContact CE2-CB 4.42Å; Y253-A400 HydrophobicContact CG-CB 3.34Å; L255-A400 HydrophobicContact CD2-CB 4.24Å; F383-A400 CarbonylContact O-C 3.44Å; F383-A400 WeakPolarHBondContact O-CA 3.33Å; F383-A400 VanDerWaalsContact O-CB 3.29Å; F383-A400 WeakPolarHBondContact O-CB 3.45Å
401	L	98.3	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.7	176	-57.8	176.9	0	0	0	107.7	T289 M291 V298 N301 Y302 L305 G382 F383 L386 Y399	T289-L401 HydrophobicContact CG2-CD2 4.06Å; M291-L401 HydrophobicContact SD-CD2 4.02Å; V298-L401 HydrophobicContact CG1-CD2 4.29Å; N301-L401 HydrophobicContact CB-CD1 3.8Å; Y302-L401 HydrophobicContact CD2-CB 4.42Å; Y302-L401 HydrophobicContact CD2-CD1 4.36Å; Y302-L401 HydrophobicContact CD2-CD2 4.11Å; L305-L401 HydrophobicContact CD2-CB 3.78Å; G382-L401 CarbonylContact C-O 3.57Å; G382-L401 WeakPolarHBondContact CA-O 3.49Å; F383-L401 PolarHBondContact N-O 3.3Å; F383-L401 PolarHBondContact O-N 3.42Å; L386-L401 HydrophobicContact CD1-CD1 4.16Å; L386-L401 HydrophobicContact CD1-CG 4.2Å; Y399-L401 HydrophobicContact CD2-CD2 3.97Å; Y399-L401 HydrophobicContact CD2-CG 4.05Å; Y399-L401 HydrophobicContact CE2-CD1 4.01Å; Y399-L401 HydrophobicContact CE2-CD2 4.02Å; Y399-L401 HydrophobicContact CE2-CG 3.84Å
402	F	98.3	Very high	93.3	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.039	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	123.3	-176	-164.1	-151.3	0	0	0	110.9	L255 F257 T272 V287 R288 T289 T345 N380 L381	L255-F402 HydrophobicContact CB-CD1 4.27Å; L255-F402 HydrophobicContact CB-CD2 4.45Å; L255-F402 HydrophobicContact CB-CE1 4.26Å; L255-F402 HydrophobicContact CB-CE2 4.42Å; L255-F402 HydrophobicContact CB-CG 4.41Å; L255-F402 HydrophobicContact CB-CZ 4.34Å; L255-F402 HydrophobicContact CD1-CB 4.24Å; L255-F402 HydrophobicContact CD1-CD2 4.13Å; L255-F402 HydrophobicContact CD1-CG 4.15Å; L255-F402 HydrophobicContact CD2-CB 3.89Å; L255-F402 HydrophobicContact CD2-CD1 3.85Å; L255-F402 HydrophobicContact CD2-CG 3.9Å; L255-F402 HydrophobicContact CG-CD1 4.49Å; L255-F402 HydrophobicContact CG-CG 4.37Å; F257-F402 HydrophobicContact CE2-CZ 4.36Å; F257-F402 HydrophobicContact CZ-CE1 4.28Å; F257-F402 AromaticContact CZ-CZ 4Å; F257-F402 HydrophobicContact CZ-CZ 4Å; T272-F402 HydrophobicContact CG2-CB 4.22Å; V287-F402 HydrophobicContact CB-CD1 4.48Å; V287-F402 HydrophobicContact CG1-CB 3.98Å; V287-F402 HydrophobicContact CG1-CD1 3.23Å; V287-F402 HydrophobicContact CG1-CD2 4.2Å; V287-F402 HydrophobicContact CG1-CE1 3.64Å; V287-F402 HydrophobicContact CG1-CG 3.52Å; V287-F402 HydrophobicContact CG1-CZ 4.28Å; V287-F402 HydrophobicContact CG2-CE1 4.18Å; V287-F402 HydrophobicContact CG2-CZ 4.45Å; R288-F402 CarbonylContact C-O 3.58Å; T289-F402 PolarHBondContact N-O 2.87Å; T289-F402 PolarHBondContact OG1-N 3.28Å; T289-F402 PolarHBondContact OG1-O 3.26Å; T289-F402 VanDerWaalsContact OG1-O 3.06Å; T345-F402 HydrophobicContact CG2-CE2 4.27Å; N380-F402 HydrophobicContact CB-CE2 3.72Å; N380-F402 HydrophobicContact CB-CZ 3.84Å; L381-F402 VanDerWaalsContact O-CD2 3.31Å; L381-F402 WeakPolarHBondContact O-CD2 3.36Å
403	I	98.2	Very high	93.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.9	178.9	64.1	178.8	0	0	0	110	V287 Y302 L305 L306 Q309 N380 L381	V287-I403 WeakPolarHBondContact O-CA 3.33Å; Y302-I403 HydrophobicContact CE2-CG2 3.74Å; L305-I403 HydrophobicContact CB-CD1 4.4Å; L305-I403 HydrophobicContact CD2-CD1 4.15Å; L305-I403 HydrophobicContact CD2-CG1 3.91Å; L305-I403 HydrophobicContact CD2-CG2 4.2Å; L305-I403 HydrophobicContact CG-CD1 3.69Å; L305-I403 HydrophobicContact CG-CG1 3.86Å; L305-I403 WeakPolarHBondContact O-CD1 3.22Å; L306-I403 HydrophobicContact CD2-CD1 3.89Å; Q309-I403 HydrophobicContact CB-CD1 3.9Å; Q309-I403 HydrophobicContact CG-CD1 4.4Å; N380-I403 VanDerWaalsContact CA-O 3.32Å; N380-I403 WeakPolarHBondContact CA-O 3.46Å; L381-I403 PolarHBondContact N-O 2.71Å; L381-I403 PolarHBondContact O-N 3.07Å; L381-I403 VanDerWaalsContact O-O 3.13Å
404	G	98	Very high	93.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	149.2	-178	0	0	0	0	0	112.7	V287 R288 I379	V287-G404 PolarHBondContact N-O 3.2Å; V287-G404 PolarHBondContact O-N 3.38Å; R288-G404 PolarHBondContact NH1-O 3.36Å; I379-G404 CarbonylContact O-C 3.58Å; I379-G404 WeakPolarHBondContact O-CA 3.43Å
405	D	98.6	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.7	-172.3	-74.2	-62.7	0	0	0	110.4	R288 Q309 S378 I379 V407 V417 T419 K423	R288-D405 IonicContact CZ-OD1 3.54Å; R288-D405 IonicContact CZ-OD2 3.85Å; R288-D405 IonicContact NH1-OD1 3.75Å; R288-D405 PolarHBondContact NH1-OD1 3.39Å; R288-D405 VanDerWaalsContact NH1-OD1 3.07Å; R288-D405 IonicContact NH1-OD2 3.17Å; R288-D405 PolarHBondContact NH1-OD2 2.9Å; R288-D405 IonicContact NH2-OD1 2.62Å; R288-D405 PolarHBondContact NH2-OD1 2.9Å; R288-D405 IonicContact NH2-OD2 3.72Å; R288-D405 PolarHBondContact NH2-OD2 3.48Å; Q309-D405 PolarHBondContact NE2-OD2 2.79Å; S378-D405 WeakPolarHBondContact CA-O 3.33Å; I379-D405 HydrophobicContact CG1-CB 4.24Å; I379-D405 WeakPolarHBondContact CG1-O 3.25Å; I379-D405 PolarHBondContact N-O 2.92Å; I379-D405 PolarHBondContact O-N 2.83Å; D405-V407 HydrophobicContact CB-CG1 4.15Å; D405-V417 HydrophobicContact CB-CG1 4.06Å; D405-T419 WeakPolarHBondContact CA-OG1 3.34Å; D405-T419 WeakPolarHBondContact CB-OG1 3.39Å; D405-T419 VanDerWaalsContact OD1-O 3.14Å; D405-T419 PolarHBondContact OD1-OG1 2.8Å; D405-K423 IonicContact OD2-NZ 3.32Å
406	T	98.7	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.1	167	-54.1	0	0	0	0	108.8	N285 M352 V376 L418 T419	N285-T406 PolarHBondContact N-OG1 2.94Å; N285-T406 PolarHBondContact O-N 2.96Å; N285-T406 PolarHBondContact O-OG1 2.82Å; M352-T406 HydrophobicContact SD-CG2 3.86Å; V376-T406 HydrophobicContact CG1-CG2 3.57Å; T406-L418 HydrophobicContact CG2-CB 4.4Å; T406-L418 HydrophobicContact CG2-CD1 4.14Å; T406-L418 WeakPolarHBondContact O-CB 3.33Å; T406-L418 PolarHBondContact O-N 3.27Å; T406-T419 PolarHBondContact N-OG1 2.67Å
407	V	98.3	Very high	94.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.7	-172	-55.9	0	0	0	0	112.2	L313 L316 V376 F377 I379 D405 A415 T416 V417	L313-V407 HydrophobicContact CD2-CB 4.25Å; L313-V407 HydrophobicContact CD2-CG1 3.67Å; L316-V407 HydrophobicContact CD2-CB 4.48Å; L316-V407 HydrophobicContact CD2-CG2 3.4Å; L316-V407 VanDerWaalsContact CD2-CG2 3.4Å; V376-V407 CarbonylContact C-O 3.5Å; V376-V407 VanDerWaalsContact CA-O 3.27Å; V376-V407 WeakPolarHBondContact CA-O 3.48Å; V376-V407 WeakPolarHBondContact CG1-O 3.34Å; F377-V407 HydrophobicContact CB-CG2 3.95Å; F377-V407 PolarHBondContact N-O 3.18Å; F377-V407 WeakPolarHBondContact O-CG2 3.48Å; F377-V407 PolarHBondContact O-N 3.16Å; I379-V407 HydrophobicContact CD1-CG1 3.7Å; I379-V407 HydrophobicContact CG1-CG1 3.81Å; I379-V407 HydrophobicContact CG1-CG2 4.3Å; I379-V407 HydrophobicContact CG2-CG2 3.58Å; D405-V407 HydrophobicContact CB-CG1 4.15Å; V407-A415 HydrophobicContact CB-CB 4.35Å; V407-T416 CarbonylContact C-O 3.56Å; V407-T416 VanDerWaalsContact CA-O 3.31Å; V407-T416 WeakPolarHBondContact CA-O 3.47Å; V407-V417 HydrophobicContact CG1-CG2 4.19Å
408	L	98.3	Very high	95.3	Very high	16 Å²	16	29.9 Å²	29.9	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128	177.7	173.9	62.1	0	0	0	109.8	L180 V376 D410 A415 T416 L418	L180-L408 HydrophobicContact CD1-CD1 4.44Å; L180-L408 HydrophobicContact CD2-CD1 3.63Å; V376-L408 HydrophobicContact CG2-CD1 3.96Å; L408-D410 PolarHBondContact O-N 3.32Å; L408-A415 CarbonylContact O-C 3.59Å; L408-A415 VanDerWaalsContact O-CA 3.25Å; L408-A415 WeakPolarHBondContact O-CA 3.29Å; L408-A415 VanDerWaalsContact O-CB 3.28Å; L408-A415 WeakPolarHBondContact O-CB 2.9Å; L408-T416 PolarHBondContact N-O 3.44Å; L408-T416 PolarHBondContact O-N 2.9Å; L408-L418 HydrophobicContact CB-CD1 4.44Å; L408-L418 HydrophobicContact CB-CD2 4.19Å; L408-L418 HydrophobicContact CB-CG 4.39Å
409	V	97.9	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-75.1	119.5	172.5	-180	0	0	0	0	109.2	L316 L371 K372 K373 G374 M375 F377	L316-V409 HydrophobicContact CD2-CG2 4.08Å; L316-V409 HydrophobicContact CG-CG2 4.08Å; L371-V409 HydrophobicContact CB-CG1 4.29Å; L371-V409 HydrophobicContact CD2-CG2 4.37Å; K372-V409 WeakPolarHBondContact O-CG1 3.25Å; K373-V409 WeakPolarHBondContact CA-O 3.15Å; G374-V409 PolarHBondContact N-O 2.93Å; M375-V409 HydrophobicContact CB-CB 4.36Å; M375-V409 HydrophobicContact CB-CG2 4.08Å; M375-V409 PolarHBondContact O-N 3.11Å; F377-V409 HydrophobicContact CD2-CG2 3.96Å; F377-V409 HydrophobicContact CE2-CG2 4.09Å
410	D	93	Very high	95	Very high	37 Å²	37	31.5 Å²	31.5	20%	0.198	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-91.6	167.6	177.5	-69.1	-58.3	0	0	0	112.4	H318 L408 T416	H318-D410 PolarHBondContact N-O 3.03Å; L408-D410 PolarHBondContact O-N 3.32Å; D410-T416 VanDerWaalsContact OD2-CB 3.28Å; D410-T416 WeakPolarHBondContact OD2-CB 3.33Å; D410-T416 PolarHBondContact OD2-N 2.94Å; D410-T416 PolarHBondContact OD2-OG1 3.41Å
411	E	87.8	Confident	94.8	Very high	98 Å²	98	31.9 Å²	31.9	46%	0.458	19%	0.192	S	C	.	.	S	Bend	trans	-76.2	-55.1	179.6	-166	164	-166.7	0	0	111	K373	K373-E411 HydrophobicContact CB-CB 4.43Å; K373-E411 HydrophobicContact CD-CB 3.81Å; K373-E411 HydrophobicContact CD-CG 4.26Å; K373-E411 WeakPolarHBondContact CE-OE2 3.31Å; K373-E411 HydrophobicContact CG-CB 4.07Å; K373-E411 IonicContact NZ-OE2 3.01Å; K373-E411 PolarHBondContact NZ-OE2 3.04Å
412	D	83.6	Confident	94.4	Very high	148 Å²	148	38.3 Å²	38.3	79%	0.791	22%	0.22	S	C	*	.	S	Bend	trans	-122.7	113.3	179.8	-61.5	-52.3	0	0	0	108.8
413	G	86.8	Confident	94.3	Very high	33 Å²	33	39.8 Å²	39.8	34%	0.34	23%	0.226	S	C	.	.	S	Bend	trans	115.9	-176.3	176.5	0	0	0	0	0	115	R317	R317-G413 WeakPolarHBondContact CB-O 3.15Å
414	P	89.9	Confident	94.1	Very high	82 Å²	82	44.2 Å²	44.2	53%	0.532	25%	0.245	S	C	.	.	S	Bend	trans	-66.7	156.7	176	30.1	-35.3	0	0	0	111	L313	L313-P414 WeakPolarHBondContact O-CA 3.27Å
415	A	95.5	Very high	93.8	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-62.9	137.8	175.6	0	0	0	0	0	112.6	L313 L316 V407 L408	L313-A415 HydrophobicContact CD2-CB 4.11Å; L313-A415 PolarHBondContact O-N 3.3Å; L316-A415 HydrophobicContact CB-CB 3.97Å; L316-A415 HydrophobicContact CD2-CB 3.78Å; L316-A415 HydrophobicContact CG-CB 4.33Å; V407-A415 HydrophobicContact CB-CB 4.35Å; L408-A415 CarbonylContact O-C 3.59Å; L408-A415 VanDerWaalsContact O-CA 3.25Å; L408-A415 WeakPolarHBondContact O-CA 3.29Å; L408-A415 VanDerWaalsContact O-CB 3.28Å; L408-A415 WeakPolarHBondContact O-CB 2.9Å
416	T	96.4	Very high	93.4	Very high	67 Å²	67	50.5 Å²	50.5	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.6	175.2	-63.3	0	0	0	0	111.4	V407 L408 D410 L418	V407-T416 CarbonylContact C-O 3.56Å; V407-T416 VanDerWaalsContact CA-O 3.31Å; V407-T416 WeakPolarHBondContact CA-O 3.47Å; L408-T416 PolarHBondContact N-O 3.44Å; L408-T416 PolarHBondContact O-N 2.9Å; D410-T416 VanDerWaalsContact OD2-CB 3.28Å; D410-T416 WeakPolarHBondContact OD2-CB 3.33Å; D410-T416 PolarHBondContact OD2-N 2.94Å; D410-T416 PolarHBondContact OD2-OG1 3.41Å; T416-L418 HydrophobicContact CG2-CD2 4.31Å
417	V	97.8	Very high	93.1	Very high	41 Å²	41	52 Å²	52	25%	0.248	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.3	171.8	179.9	0	0	0	0	110.1	L313 D405 V407	L313-V417 HydrophobicContact CD1-CG2 3.93Å; L313-V417 HydrophobicContact CD2-CG2 4.05Å; D405-V417 HydrophobicContact CB-CG1 4.06Å; V407-V417 HydrophobicContact CG1-CG2 4.19Å
418	L	97.7	Very high	92.9	Very high	25 Å²	25	52 Å²	52	13%	0.131	28%	0.282	C	S	.	.	S	Bend	trans	-94.7	-25.9	177.9	-55.8	-173	0	0	0	112.8	K184 A187 V376 T406 L408 T416	K184-L418 HydrophobicContact CG-CD1 4.36Å; K184-L418 HydrophobicContact CG-CD2 4.15Å; A187-L418 HydrophobicContact CB-CB 3.85Å; V376-L418 HydrophobicContact CG1-CD1 4.49Å; T406-L418 HydrophobicContact CG2-CB 4.4Å; T406-L418 HydrophobicContact CG2-CD1 4.14Å; T406-L418 WeakPolarHBondContact O-CB 3.33Å; T406-L418 PolarHBondContact O-N 3.27Å; L408-L418 HydrophobicContact CB-CD1 4.44Å; L408-L418 HydrophobicContact CB-CD2 4.19Å; L408-L418 HydrophobicContact CB-CG 4.39Å; T416-L418 HydrophobicContact CG2-CD2 4.31Å
419	T	96.4	Very high	92.7	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-99.1	70.5	177.8	47.7	0	0	0	0	111.3	A187 D405 T406 V421	A187-T419 HydrophobicContact CB-CG2 3.7Å; D405-T419 WeakPolarHBondContact CA-OG1 3.34Å; D405-T419 WeakPolarHBondContact CB-OG1 3.39Å; D405-T419 VanDerWaalsContact OD1-O 3.14Å; D405-T419 PolarHBondContact OD1-OG1 2.8Å; T406-T419 PolarHBondContact N-OG1 2.67Å; T419-V421 PolarHBondContact O-N 3.1Å
420	S	87.3	Confident	92.4	Very high	99 Å²	99	52.5 Å²	52.5	69%	0.692	29%	0.288	S	S	*	.			trans	-73.8	62	-173.5	-55.2	0	0	0	0	114.1
421	V	93.3	Very high	92.1	Very high	8 Å²	8	56.3 Å²	56.3	5%	0.048	30%	0.303	C	S	.	.			trans	-94.4	131.3	173.4	176.4	0	0	0	0	109.5	S191 F194 N195 L286 R288 T419	S191-V421 WeakPolarHBondContact OG-CG2 3.44Å; F194-V421 HydrophobicContact CD1-CG1 3.53Å; F194-V421 HydrophobicContact CE1-CG1 3.68Å; F194-V421 HydrophobicContact CG-CG1 4.44Å; N195-V421 WeakPolarHBondContact OD1-CG1 3.25Å; L286-V421 HydrophobicContact CD1-CB 4.18Å; L286-V421 HydrophobicContact CD1-CG2 4.18Å; L286-V421 HydrophobicContact CD2-CB 4.37Å; L286-V421 HydrophobicContact CD2-CG2 3.8Å; R288-V421 PolarHBondContact NH2-O 2.75Å; T419-V421 PolarHBondContact O-N 3.1Å
422	K	91.9	Very high	91.6	Very high	134 Å²	134	54.1 Å²	54.1	58%	0.583	29%	0.294	S	S	*	.			trans	-55.4	138.7	178	-62.3	-168.8	-179	-176.4	0	110.6	N427	K422-N427 HydrophobicContact CB-CB 3.76Å; K422-N427 VanDerWaalsContact CD-OD1 3.22Å; K422-N427 WeakPolarHBondContact CD-OD1 3.44Å
423	K	94.9	Very high	90.6	Very high	41 Å²	41	52.3 Å²	52.3	18%	0.178	28%	0.279	C	S	.	.			trans	-142	1.8	-173.2	65.3	-177.2	174.5	-172.5	0	114.7	Y302 L306 D405	Y302-K423 WeakPolarHBondContact CE1-O 3.47Å; Y302-K423 PolarHBondContact OH-O 3.48Å; Y302-K423 VanDerWaalsContact OH-O 3.09Å; L306-K423 HydrophobicContact CD2-CB 4.18Å; L306-K423 HydrophobicContact CD2-CD 3.7Å; L306-K423 HydrophobicContact CD2-CG 3.71Å; D405-K423 IonicContact OD2-NZ 3.32Å
424	K	94.5	Very high	88.7	Confident	92 Å²	92	57 Å²	57	40%	0.4	30%	0.297	S	S	.	.	S	Bend	trans	-67.5	151.5	171.3	-59.4	178.7	-173.8	163.8	0	109	K426 N427 V428 E793	K424-K426 HydrophobicContact CB-CG 4.34Å; K424-K426 PolarHBondContact O-N 2.93Å; K424-K426 VanDerWaalsContact O-N 3.12Å; K424-N427 PolarHBondContact O-N 3.26Å; K424-N427 PolarHBondContact O-ND2 2.94Å; K424-V428 PolarHBondContact O-N 2.94Å; K424-E793 WeakPolarHBondContact CE-OE2 3.49Å; K424-E793 IonicContact NZ-OE2 2.73Å; K424-E793 PolarHBondContact NZ-OE2 2.93Å
425	V	92.1	Very high	86.2	Confident	13 Å²	13	58.3 Å²	58.3	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-46.5	-46.2	-178.7	176.9	0	0	0	0	112	M291 Q299 Y302 N303 N427 V428 G429	M291-V425 HydrophobicContact CE-CG2 4.45Å; Q299-V425 HydrophobicContact CB-CG1 4.46Å; Q299-V425 HydrophobicContact CG-CG1 3.99Å; Y302-V425 HydrophobicContact CD1-CG2 3.68Å; Y302-V425 HydrophobicContact CE1-CG2 4.32Å; N303-V425 WeakPolarHBondContact OD1-CG2 3.33Å; V425-N427 PolarHBondContact O-N 2.58Å; V425-V428 PolarHBondContact O-N 2.86Å; V425-G429 WeakPolarHBondContact O-CA 3.18Å; V425-G429 PolarHBondContact O-N 3.36Å
426	K	90	Very high	83.9	Confident	119 Å²	119	62.9 Å²	62.9	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-53.8	-18.9	177	72.3	174.4	-176.4	175.6	0	116.3	K424 E796	K424-K426 HydrophobicContact CB-CG 4.34Å; K424-K426 PolarHBondContact O-N 2.93Å; K424-K426 VanDerWaalsContact O-N 3.12Å; K426-E796 IonicContact NZ-OE1 3.62Å; K426-E796 PolarHBondContact NZ-OE1 3.15Å; K426-E796 IonicContact NZ-OE2 2.83Å; K426-E796 PolarHBondContact NZ-OE2 3.22Å
427	N	92	Very high	81.3	Confident	31 Å²	31	61.7 Å²	61.7	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-105.4	-15	-178.8	-53.3	-76.1	0	0	0	113.7	K199 K422 K424 V425	K199-N427 PolarHBondContact NZ-O 2.94Å; K422-N427 HydrophobicContact CB-CB 3.76Å; K422-N427 VanDerWaalsContact CD-OD1 3.22Å; K422-N427 WeakPolarHBondContact CD-OD1 3.44Å; K424-N427 PolarHBondContact O-N 3.26Å; K424-N427 PolarHBondContact O-ND2 2.94Å; V425-N427 PolarHBondContact O-N 2.58Å
428	V	94.8	Very high	78.2	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-121.5	-15	-175.9	-61.7	0	0	0	0	112.8	T289 L290 M291 Y302 K424 V425	T289-V428 WeakPolarHBondContact O-CB 3.35Å; L290-V428 CarbonylContact C-O 3.53Å; L290-V428 WeakPolarHBondContact CA-O 3.25Å; L290-V428 HydrophobicContact CD2-CB 4.05Å; L290-V428 HydrophobicContact CD2-CG1 4.18Å; M291-V428 HydrophobicContact CE-CG2 3.74Å; M291-V428 PolarHBondContact N-O 3.45Å; Y302-V428 HydrophobicContact CE1-CG2 3.83Å; K424-V428 PolarHBondContact O-N 2.94Å; V425-V428 PolarHBondContact O-N 2.86Å
429	G	92.6	Very high	75.1	Confident	14 Å²	14	70.6 Å²	70.6	14%	0.144	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129	167.3	0	0	0	0	0	109.7	M291 V425	M291-G429 CarbonylContact O-C 3.56Å; M291-G429 VanDerWaalsContact O-CA 3.29Å; M291-G429 WeakPolarHBondContact O-CA 3.38Å; V425-G429 WeakPolarHBondContact O-CA 3.18Å; V425-G429 PolarHBondContact O-N 3.36Å
430	I	92.1	Very high	72.6	Confident	12 Å²	12	76.8 Å²	76.8	6%	0.062	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.8	171.8	-55.1	171.2	0	0	0	103.9	V202 M203 V206 M291 V292 D293	V202-I430 HydrophobicContact CG1-CD1 4.34Å; M203-I430 HydrophobicContact CE-CG1 4.4Å; M203-I430 HydrophobicContact CE-CG2 4.05Å; M203-I430 HydrophobicContact SD-CD1 3.52Å; M203-I430 VanDerWaalsContact SD-CD1 3.52Å; M203-I430 HydrophobicContact SD-CG1 3.63Å; M203-I430 HydrophobicContact SD-CG2 4.29Å; V206-I430 HydrophobicContact CG1-CG2 3.99Å; V206-I430 HydrophobicContact CG2-CD1 4.44Å; M291-I430 PolarHBondContact O-N 3.49Å; V292-I430 CarbonylContact C-O 3.57Å; V292-I430 WeakPolarHBondContact CA-O 3.23Å; V292-I430 HydrophobicContact CG2-CB 4.38Å; V292-I430 HydrophobicContact CG2-CD1 4.19Å; D293-I430 PolarHBondContact N-O 2.84Å
431	F	86.2	Confident	70.2	Confident	117 Å²	117	79.7 Å²	79.7	51%	0.513	38%	0.379	S	S	.	.			trans	-104.2	107.9	-179.4	-64.3	-84.9	0	0	0	107	D293 P294	D293-F431 VanDerWaalsContact OD1-CA 3.26Å; D293-F431 WeakPolarHBondContact OD1-CA 3.39Å; P294-F431 HydrophobicContact CG-CE1 4.08Å; P294-F431 HydrophobicContact CG-CZ 4.12Å
432	L	77.8	Confident	67.1	Low	52 Å²	52	88.5 Å²	88.5	27%	0.272	42%	0.419	S	S	.	.			trans	-72.5	132.6	177	-63.5	173.4	0	0	0	107.5	V206 V292 D293 N434	V206-L432 HydrophobicContact CG1-CD1 4.46Å; V206-L432 HydrophobicContact CG1-CD2 3.62Å; V206-L432 HydrophobicContact CG1-CG 4.38Å; V292-L432 HydrophobicContact CG1-CD1 3.59Å; V292-L432 HydrophobicContact CG1-CG 3.81Å; D293-L432 PolarHBondContact OD1-N 3.35Å; D293-L432 WeakPolarHBondContact OD2-CB 3.28Å; D293-L432 WeakPolarHBondContact OD2-CD1 3.3Å; D293-L432 WeakPolarHBondContact OD2-CG 3.33Å; L432-N434 PolarHBondContact O-N 3.03Å
433	K	63.3	Low	64.3	Low	109 Å²	109	91 Å²	91	47%	0.474	43%	0.433	S	S	.	.			trans	-67.3	130.9	162.4	-69.3	-179.6	174.1	-178.1	0	106	E435 E884	K433-E435 PolarHBondContact O-N 3.38Å; K433-E884 IonicContact NZ-OE1 2.65Å; K433-E884 PolarHBondContact NZ-OE1 3.05Å
434	N	45.4	Very low	61.3	Low	133 Å²	133	97.8 Å²	97.8	71%	0.711	46%	0.463	S	S	*	.			trans	-52.4	115.4	-176	-73.5	-35.3	0	0	0	110.5	L432 D436 E437	L432-N434 PolarHBondContact O-N 3.03Å; N434-D436 HydrophobicContact CB-CB 4.35Å; N434-D436 PolarHBondContact O-N 3.46Å; N434-E437 PolarHBondContact O-N 3.15Å
435	E	38.7	Very low	58.4	Low	109 Å²	109	101 Å²	101	51%	0.509	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-58.5	-4.3	175.7	-74.6	177.6	165.7	0	0	114.3	K433 E437 E438	K433-E435 PolarHBondContact O-N 3.38Å; E435-E437 PolarHBondContact O-N 3.34Å; E435-E437 VanDerWaalsContact O-N 3.09Å; E435-E438 PolarHBondContact O-N 3.25Å
436	D	46.5	Very low	55.3	Low	102 Å²	102	109.9 Å²	109.9	55%	0.545	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-51.7	-24.9	159.8	-101.1	-10.2	0	0	0	110.6	N434 K473	N434-D436 HydrophobicContact CB-CB 4.35Å; N434-D436 PolarHBondContact O-N 3.46Å; D436-K473 HydrophobicContact CB-CD 3.47Å; D436-K473 VanDerWaalsContact CB-CD 3.47Å; D436-K473 HydrophobicContact CB-CG 4.23Å; D436-K473 WeakPolarHBondContact O-CD 3.38Å; D436-K473 VanDerWaalsContact O-CE 3.29Å; D436-K473 WeakPolarHBondContact O-CE 3.47Å; D436-K473 PolarHBondContact O-NZ 2.95Å; D436-K473 WeakPolarHBondContact OD1-CE 3.46Å; D436-K473 IonicContact OD1-NZ 2.71Å; D436-K473 PolarHBondContact OD1-NZ 3.39Å; D436-K473 IonicContact OD2-NZ 3.47Å
437	E	41.4	Very low	52.3	Low	42 Å²	42	108.3 Å²	108.3	20%	0.196	53%	0.534	C	S	.	.	G	3₁₀ helix	trans	-92.8	-4.5	171.3	-65.6	-172.7	-179.9	0	0	116	N434 E435 A470 K473 R474	N434-E437 PolarHBondContact O-N 3.15Å; E435-E437 PolarHBondContact O-N 3.34Å; E435-E437 VanDerWaalsContact O-N 3.09Å; E437-A470 HydrophobicContact CB-CB 3.93Å; E437-A470 HydrophobicContact CG-CB 4.19Å; E437-A470 VanDerWaalsContact O-CB 3.25Å; E437-A470 WeakPolarHBondContact O-CB 3.4Å; E437-K473 HydrophobicContact CG-CB 4.19Å; E437-R474 WeakPolarHBondContact OE1-CA 3.22Å; E437-R474 PolarHBondContact OE1-N 2.98Å
438	E	34	Very low	49.2	Very low	105 Å²	105	116.2 Å²	116.2	49%	0.491	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.6	-7.2	-168.8	-74.3	-173.3	180	0	0	117.3	E435 E440 E441	E435-E438 PolarHBondContact O-N 3.25Å; E438-E440 PolarHBondContact O-N 3.35Å; E438-E441 PolarHBondContact O-N 3.24Å; E438-E441 VanDerWaalsContact O-N 3.17Å
439	E	32.4	Very low	45.9	Very low	149 Å²	149	122.5 Å²	122.5	70%	0.696	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	4.2	173.5	-81.9	-168.9	161.7	0	0	114.7
440	E	42.5	Very low	42.8	Very low	130 Å²	130	128.1 Å²	128.1	61%	0.607	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-5.9	171.9	-70.8	-167.6	165.2	0	0	115.5	E438 T469	E438-E440 PolarHBondContact O-N 3.35Å; E440-T469 VanDerWaalsContact OE1-CG2 3.31Å; E440-T469 WeakPolarHBondContact OE1-CG2 3.49Å
441	E	37.1	Very low	39.7	Very low	160 Å²	160	135.2 Å²	135.2	75%	0.748	67%	0.667	S	S	*	*	S	Bend	trans	-102.1	-9	-170.9	-67.5	-151.1	149.9	0	0	117.2	E438 E443	E438-E441 PolarHBondContact O-N 3.24Å; E438-E441 VanDerWaalsContact O-N 3.17Å; E441-E443 PolarHBondContact O-N 3.33Å
442	E	29.2	Very low	36.9	Very low	192 Å²	192	133 Å²	133	90%	0.897	68%	0.677	S	S	*	*			trans	-88.5	18.7	177.8	-71.1	-158.2	158.7	0	0	116
443	E	32.6	Very low	34.5	Very low	187 Å²	187	143 Å²	143	87%	0.874	71%	0.711	S	S	*	*	S	Bend	trans	-99.1	50.5	163.3	-85.9	-157.5	172.6	0	0	112	E441	E441-E443 PolarHBondContact O-N 3.33Å
444	K	33.2	Very low	32.8	Very low	184 Å²	184	141.4 Å²	141.4	80%	0.8	73%	0.726	S	S	*	*	S	Bend	trans	-163	58.2	168.1	-123.9	172.9	-101.1	157.4	0	114.9
445	D	32.1	Very low	32	Very low	159 Å²	159	140.9 Å²	140.9	85%	0.85	73%	0.733	S	S	*	*	S	Bend	trans	-176.3	92.8	144.6	-90.3	-27.8	0	0	0	109.6
446	E	27.8	Very low	31.6	Very low	199 Å²	199	146.8 Å²	146.8	93%	0.93	75%	0.75	S	S	*	*			trans	179.7	141.2	136.5	-99.3	176.2	-168.7	0	0	111.7
447	A	26.7	Very low	31.3	Very low	86 Å²	86	146.7 Å²	146.7	71%	0.711	76%	0.764	S	S	*	*			trans	76.3	81.9	164.9	0	0	0	0	0	118.2	D449	A447-D449 PolarHBondContact O-N 2.96Å
448	E	27.2	Very low	31.1	Very low	197 Å²	197	149 Å²	149	92%	0.921	79%	0.79	S	S	*	*				-46	93.8	119.4	-82.3	-171.4	145	0	0	108.6
449	D	25.9	Very low	31.1	Very low	134 Å²	134	152.3 Å²	152.3	72%	0.717	81%	0.81	S	S	*	*			trans	178.8	135	135.3	-105.4	-26.2	0	0	0	112.3	A447	A447-D449 PolarHBondContact O-N 2.96Å
450	L	27	Very low	31.3	Very low	132 Å²	132	151.4 Å²	151.4	69%	0.691	81%	0.81	S	S	*	*			trans	63.9	96.6	144	-82.5	149.1	0	0	0	118.3
451	L	26.8	Very low	31.1	Very low	162 Å²	162	151.4 Å²	151.4	85%	0.848	82%	0.818	S	S	*	*				154.3	133.3	100.9	-80.8	157	0	0	0	113.9
452	G	27.2	Very low	31	Very low	71 Å²	71	152.6 Å²	152.6	73%	0.732	82%	0.824	S	S	*	*				74.9	94.1	123.1	0	0	0	0	0	118.3	G454	G452-G454 PolarHBondContact O-N 3.28Å
453	R	27.3	Very low	31.3	Very low	260 Å²	260	155.2 Å²	155.2	98%	0.981	83%	0.826	S	S	*	*	S	Bend	trans	-44	123.4	154.3	-79.3	177.1	171.9	174.5	-3	111.4
454	G	27.7	Very low	31.5	Very low	76 Å²	76	152.2 Å²	152.2	78%	0.784	82%	0.82	S	S	*	*			trans	132.7	69	148.9	0	0	0	0	0	116.3	G452	G452-G454 PolarHBondContact O-N 3.28Å
455	S	28	Very low	31.8	Very low	123 Å²	123	154.7 Å²	154.7	86%	0.86	83%	0.825	S	S	*	*			trans	-172.5	76.5	145.3	-176.8	0	0	0	0	109.9
456	R	32	Very low	32.1	Very low	232 Å²	232	154.9 Å²	154.9	88%	0.875	83%	0.825	S	S	*	*			trans	-127	38	-175.5	-140.4	-177.3	-163.5	175.3	5.4	113.9
457	A	38.3	Very low	32.6	Very low	101 Å²	101	152.7 Å²	152.7	84%	0.835	82%	0.815	S	S	*	*	S	Bend	trans	-135.5	12.4	-177.5	0	0	0	0	0	116.6
458	A	37.6	Very low	33.4	Very low	90 Å²	90	153 Å²	153	74%	0.744	80%	0.803	S	S	*	*	S	Bend	trans	-135.9	6.7	-177.1	0	0	0	0	0	116.8
459	L	33.7	Very low	35.1	Very low	175 Å²	175	146.2 Å²	146.2	92%	0.916	78%	0.775	S	S	*	*	S	Bend	trans	-135.1	28.4	-178.3	-94	162.9	0	0	0	113.7
460	L	37.6	Very low	37.1	Very low	130 Å²	130	140.7 Å²	140.7	68%	0.681	75%	0.748	S	S	*	*	S	Bend	trans	-113.6	22	-176.7	-108	159.1	0	0	0	114.4
461	T	38.2	Very low	39.2	Very low	129 Å²	129	138.3 Å²	138.3	79%	0.791	73%	0.734	S	S	*	*	S	Bend	trans	-128.5	5	-178.6	39.5	0	0	0	0	116.6
462	E	35.9	Very low	41.4	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	71%	0.714	S	S	*	*	S	Bend	trans	-129.8	11.3	-177.9	-85	-173.4	161.4	0	0	116.8
463	R	34	Very low	43.7	Very low	247 Å²	247	133.5 Å²	133.5	93%	0.932	69%	0.687	S	S	*	*	S	Bend	trans	-138.9	45.5	175.5	-75.3	-168.1	175.7	-173.9	-4	115.2
464	T	38.4	Very low	46	Very low	124 Å²	124	122.3 Å²	122.3	76%	0.761	65%	0.645	S	S	*	*			trans	-129.8	38	172.2	30.3	0	0	0	0	112.7
465	R	38	Very low	48.4	Very low	236 Å²	236	125.2 Å²	125.2	89%	0.891	63%	0.632	S	S	*	*	S	Bend	trans	-138.5	92	169.7	-88.3	-175.4	165.6	175.8	-6	109.5
466	N	39.6	Very low	50.9	Low	162 Å²	162	121.9 Å²	121.9	87%	0.866	61%	0.612	S	S	*	*	S	Bend	trans	149.3	19.5	138.7	-73.7	2.1	0	0	0	116.6
467	E	37.4	Very low	53.2	Low	154 Å²	154	113.7 Å²	113.7	72%	0.72	58%	0.583	S	S	*	*			trans	-96.2	112.5	162.9	-84.5	149.1	-152.1	0	0	108.4	T469	E467-T469 PolarHBondContact O-N 3.47Å
468	M	44.1	Very low	55.4	Low	92 Å²	92	109.3 Å²	109.3	45%	0.453	55%	0.546	S	S	.	.			trans	-66.3	128.1	169.9	-79	172.3	68.8	0	0	108.3	E472 K473	M468-E472 WeakPolarHBondContact CA-OE2 3.41Å; M468-E472 HydrophobicContact CB-CB 4.18Å; M468-E472 WeakPolarHBondContact CB-OE2 3.31Å; M468-E472 HydrophobicContact CE-CB 3.72Å; M468-E472 WeakPolarHBondContact CG-OE2 3.49Å; M468-K473 HydrophobicContact CB-CD 4.23Å; M468-K473 HydrophobicContact CB-CG 4.28Å; M468-K473 HydrophobicContact CE-CG 4.39Å; M468-K473 WeakPolarHBondContact O-CE 3.29Å; M468-K473 PolarHBondContact O-NZ 3.47Å; M468-K473 VanDerWaalsContact O-NZ 3.07Å
469	T	63.4	Low	57.6	Low	55 Å²	55	111.2 Å²	111.2	34%	0.337	54%	0.537	S	S	.	.			trans	-58	151.8	175.5	50	0	0	0	0	111	E440 E467 E471 E472 K473	E440-T469 VanDerWaalsContact OE1-CG2 3.31Å; E440-T469 WeakPolarHBondContact OE1-CG2 3.49Å; E467-T469 PolarHBondContact O-N 3.47Å; T469-E471 PolarHBondContact O-N 2.95Å; T469-E471 VanDerWaalsContact O-N 3.09Å; T469-E472 PolarHBondContact N-OE2 3.35Å; T469-E472 WeakPolarHBondContact O-CB 3.45Å; T469-E472 PolarHBondContact O-N 3.29Å; T469-E472 WeakPolarHBondContact OG1-CG 3.48Å; T469-E472 PolarHBondContact OG1-OE2 3.38Å; T469-K473 PolarHBondContact O-N 3.26Å
470	A	67.2	Low	59.9	Low	17 Å²	17	108.3 Å²	108.3	14%	0.14	52%	0.519	C	S	.	.	H	α-helix	trans	-51.3	-36.7	179.8	0	0	0	0	0	112.9	E437 K473 R474	E437-A470 HydrophobicContact CB-CB 3.93Å; E437-A470 HydrophobicContact CG-CB 4.19Å; E437-A470 VanDerWaalsContact O-CB 3.25Å; E437-A470 WeakPolarHBondContact O-CB 3.4Å; A470-K473 PolarHBondContact O-N 3.41Å; A470-R474 WeakPolarHBondContact O-CB 3.14Å; A470-R474 PolarHBondContact O-N 3.14Å
471	E	71.2	Confident	62	Low	83 Å²	83	103 Å²	103	39%	0.388	49%	0.491	S	S	.	.	H	α-helix	trans	-67.7	-34.4	177.4	-171.2	61.5	-163.2	0	0	113	T469 R474 R475	T469-E471 PolarHBondContact O-N 2.95Å; T469-E471 VanDerWaalsContact O-N 3.09Å; E471-R474 IonicContact OE2-CZ 2.68Å; E471-R474 IonicContact OE2-NE 2.61Å; E471-R474 IonicContact OE2-NH1 2.91Å; E471-R474 PolarHBondContact OE2-NH1 3.49Å; E471-R475 VanDerWaalsContact O-CB 3.3Å; E471-R475 WeakPolarHBondContact O-CB 3.45Å; E471-R475 PolarHBondContact O-N 3.09Å
472	E	72.7	Confident	64	Low	95 Å²	95	97.7 Å²	97.7	44%	0.444	46%	0.46	S	S	.	.	H	α-helix	trans	-69.1	-36.5	176.5	-76.1	175.3	157.1	0	0	112	M468 T469 R475 A476	M468-E472 WeakPolarHBondContact CA-OE2 3.41Å; M468-E472 HydrophobicContact CB-CB 4.18Å; M468-E472 WeakPolarHBondContact CB-OE2 3.31Å; M468-E472 HydrophobicContact CE-CB 3.72Å; M468-E472 WeakPolarHBondContact CG-OE2 3.49Å; T469-E472 PolarHBondContact N-OE2 3.35Å; T469-E472 WeakPolarHBondContact O-CB 3.45Å; T469-E472 PolarHBondContact O-N 3.29Å; T469-E472 WeakPolarHBondContact OG1-CG 3.48Å; T469-E472 PolarHBondContact OG1-OE2 3.38Å; E472-R475 PolarHBondContact O-N 3.16Å; E472-A476 PolarHBondContact O-N 3.44Å
473	K	75.1	Confident	66.1	Low	36 Å²	36	92 Å²	92	16%	0.157	45%	0.445	C	S	.	.	H	α-helix	trans	-69.8	-43.7	176.4	-77.7	145	165.7	179.3	0	112	D436 E437 M468 T469 A470 R475 A476 H477	D436-K473 HydrophobicContact CB-CD 3.47Å; D436-K473 VanDerWaalsContact CB-CD 3.47Å; D436-K473 HydrophobicContact CB-CG 4.23Å; D436-K473 WeakPolarHBondContact O-CD 3.38Å; D436-K473 VanDerWaalsContact O-CE 3.29Å; D436-K473 WeakPolarHBondContact O-CE 3.47Å; D436-K473 PolarHBondContact O-NZ 2.95Å; D436-K473 WeakPolarHBondContact OD1-CE 3.46Å; D436-K473 IonicContact OD1-NZ 2.71Å; D436-K473 PolarHBondContact OD1-NZ 3.39Å; D436-K473 IonicContact OD2-NZ 3.47Å; E437-K473 HydrophobicContact CG-CB 4.19Å; M468-K473 HydrophobicContact CB-CD 4.23Å; M468-K473 HydrophobicContact CB-CG 4.28Å; M468-K473 HydrophobicContact CE-CG 4.39Å; M468-K473 WeakPolarHBondContact O-CE 3.29Å; M468-K473 PolarHBondContact O-NZ 3.47Å; M468-K473 VanDerWaalsContact O-NZ 3.07Å; T469-K473 PolarHBondContact O-N 3.26Å; A470-K473 PolarHBondContact O-N 3.41Å; K473-R475 VanDerWaalsContact C-N 3.28Å; K473-R475 PolarHBondContact O-N 3.43Å; K473-A476 PolarHBondContact O-N 3.39Å; K473-H477 PolarHBondContact O-N 3.06Å
474	R	76	Confident	68.4	Low	26 Å²	26	85 Å²	85	10%	0.098	42%	0.423	C	S	.	.	H	α-helix	trans	-55.3	-45.9	170.1	-169.9	-174.6	-59.9	169.1	-10.7	111.2	E437 A470 E471 A476 H477 Q478 N887 Y893	E437-R474 WeakPolarHBondContact OE1-CA 3.22Å; E437-R474 PolarHBondContact OE1-N 2.98Å; A470-R474 WeakPolarHBondContact O-CB 3.14Å; A470-R474 PolarHBondContact O-N 3.14Å; E471-R474 IonicContact OE2-CZ 2.68Å; E471-R474 IonicContact OE2-NE 2.61Å; E471-R474 IonicContact OE2-NH1 2.91Å; E471-R474 PolarHBondContact OE2-NH1 3.49Å; R474-A476 PolarHBondContact O-N 2.89Å; R474-H477 PolarHBondContact O-N 2.84Å; R474-Q478 WeakPolarHBondContact O-CB 3.36Å; R474-Q478 VanDerWaalsContact O-CG 3.23Å; R474-Q478 WeakPolarHBondContact O-CG 3.44Å; R474-Q478 PolarHBondContact O-N 3.12Å; R474-N887 HydrophobicContact CG-CB 4.49Å; R474-Y893 WeakPolarHBondContact CD-OH 3.45Å
475	R	78.5	Confident	70.4	Confident	137 Å²	137	80 Å²	80	52%	0.517	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-41.7	177.7	-171.7	-178.7	-78.8	-161.6	-14.6	112.3	E471 E472 K473 Q478 K479 E930	E471-R475 VanDerWaalsContact O-CB 3.3Å; E471-R475 WeakPolarHBondContact O-CB 3.45Å; E471-R475 PolarHBondContact O-N 3.09Å; E472-R475 PolarHBondContact O-N 3.16Å; K473-R475 VanDerWaalsContact C-N 3.28Å; K473-R475 PolarHBondContact O-N 3.43Å; R475-Q478 PolarHBondContact O-N 3.08Å; R475-K479 PolarHBondContact O-N 3.41Å; R475-E930 IonicContact CZ-OE1 3.61Å; R475-E930 IonicContact NH1-OE1 3.38Å; R475-E930 PolarHBondContact NH1-OE1 3.13Å
476	A	79.5	Confident	72.3	Confident	53 Å²	53	70.7 Å²	70.7	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-45.4	176.6	0	0	0	0	0	112.1	E472 K473 R474 K479 E480	E472-A476 PolarHBondContact O-N 3.44Å; K473-A476 PolarHBondContact O-N 3.39Å; R474-A476 PolarHBondContact O-N 2.89Å; A476-K479 WeakPolarHBondContact O-CB 3.26Å; A476-K479 PolarHBondContact O-N 2.74Å; A476-E480 PolarHBondContact O-N 3.29Å; A476-E480 VanDerWaalsContact O-N 3.12Å
477	H	80.7	Confident	74.1	Confident	59 Å²	59	68 Å²	68	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-45.3	176.5	-174.5	-132.9	0	0	0	111.9	K473 R474 K479 E480 L481 N887 D890	K473-H477 PolarHBondContact O-N 3.06Å; R474-H477 PolarHBondContact O-N 2.84Å; H477-K479 PolarHBondContact O-N 3.01Å; H477-E480 PolarHBondContact O-N 2.97Å; H477-E480 VanDerWaalsContact O-N 3.14Å; H477-L481 WeakPolarHBondContact O-CG 3.49Å; H477-L481 PolarHBondContact O-N 3.35Å; H477-N887 PolarHBondContact ND1-OD1 3.31Å; H477-D890 IonicContact CE1-OD1 3.3Å; H477-D890 PolarHBondContact CE1-OD1 3.11Å; H477-D890 IonicContact NE2-OD1 2.7Å
478	Q	85.4	Confident	76.1	Confident	9 Å²	9	65.8 Å²	65.8	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-25.2	176.2	-69.9	-69.4	-45.5	0	0	113.2	R474 R475 A482 N887 L891 K892 Y893	R474-Q478 WeakPolarHBondContact O-CB 3.36Å; R474-Q478 VanDerWaalsContact O-CG 3.23Å; R474-Q478 WeakPolarHBondContact O-CG 3.44Å; R474-Q478 PolarHBondContact O-N 3.12Å; R475-Q478 PolarHBondContact O-N 3.08Å; Q478-A482 PolarHBondContact O-N 2.83Å; Q478-N887 PolarHBondContact NE2-OD1 3.33Å; Q478-L891 PolarHBondContact NE2-O 3.26Å; Q478-K892 HydrophobicContact CB-CD 4.46Å; Q478-K892 VanDerWaalsContact O-CD 3.23Å; Q478-K892 WeakPolarHBondContact O-CD 3.23Å; Q478-K892 PolarHBondContact O-NZ 3.34Å; Q478-Y893 VanDerWaalsContact CD-CE1 3.46Å; Q478-Y893 HydrophobicContact CG-CE1 3.96Å
479	K	83.3	Confident	77.6	Confident	130 Å²	130	61.4 Å²	61.4	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-74.9	-39.4	173.2	-168.4	170.8	-174.2	163.7	0	111.8	R475 A476 H477 A482 A483	R475-K479 PolarHBondContact O-N 3.41Å; A476-K479 WeakPolarHBondContact O-CB 3.26Å; A476-K479 PolarHBondContact O-N 2.74Å; H477-K479 PolarHBondContact O-N 3.01Å; K479-A482 PolarHBondContact O-N 2.95Å; K479-A483 PolarHBondContact O-N 3.34Å
480	E	82.5	Confident	78.1	Confident	114 Å²	114	64.1 Å²	64.1	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-46.2	174.1	-173.6	176.8	175.9	0	0	111.5	A476 H477 A482 A483 Q484	A476-E480 PolarHBondContact O-N 3.29Å; A476-E480 VanDerWaalsContact O-N 3.12Å; H477-E480 PolarHBondContact O-N 2.97Å; H477-E480 VanDerWaalsContact O-N 3.14Å; E480-A482 VanDerWaalsContact C-N 3.27Å; E480-A482 PolarHBondContact O-N 3.5Å; E480-A483 PolarHBondContact O-N 3.5Å; E480-A483 VanDerWaalsContact O-N 3.17Å; E480-Q484 WeakPolarHBondContact O-CG 3.43Å; E480-Q484 PolarHBondContact O-N 3.4Å; E480-Q484 VanDerWaalsContact O-N 3.08Å; E480-Q484 PolarHBondContact OE1-NE2 3.09Å; E480-Q484 VanDerWaalsContact OE1-NE2 3.17Å
481	L	81	Confident	78.5	Confident	18 Å²	18	70.5 Å²	70.5	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-38.6	176.3	-71.2	172.9	0	0	0	112.2	H477 A483 Q484 L485 D890 K892	H477-L481 WeakPolarHBondContact O-CG 3.49Å; H477-L481 PolarHBondContact O-N 3.35Å; L481-A483 PolarHBondContact O-N 3.32Å; L481-Q484 PolarHBondContact O-N 3.01Å; L481-L485 WeakPolarHBondContact O-CB 3.49Å; L481-L485 PolarHBondContact O-N 2.85Å; L481-D890 HydrophobicContact CD2-CB 4.1Å; L481-K892 HydrophobicContact CB-CB 4.45Å
482	A	81.2	Confident	78.8	Confident	18 Å²	18	68.9 Å²	68.9	15%	0.149	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-42.6	177.4	0	0	0	0	0	112.5	Q478 K479 E480 N486 K892	Q478-A482 PolarHBondContact O-N 2.83Å; K479-A482 PolarHBondContact O-N 2.95Å; E480-A482 VanDerWaalsContact C-N 3.27Å; E480-A482 PolarHBondContact O-N 3.5Å; A482-N486 PolarHBondContact O-N 3.3Å; A482-K892 HydrophobicContact CB-CD 4.03Å
483	A	79.2	Confident	78.6	Confident	67 Å²	67	66 Å²	66	55%	0.554	32%	0.315	S	S	*	.	H	α-helix	trans	-66.7	-44.4	177.9	0	0	0	0	0	111.6	K479 E480 L481 E487	K479-A483 PolarHBondContact O-N 3.34Å; E480-A483 PolarHBondContact O-N 3.5Å; E480-A483 VanDerWaalsContact O-N 3.17Å; L481-A483 PolarHBondContact O-N 3.32Å; A483-E487 PolarHBondContact O-N 2.94Å
484	Q	81.3	Confident	78.2	Confident	99 Å²	99	68.1 Å²	68.1	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-42.9	177.6	-67.5	-177.4	11.5	0	0	111.9	E480 L481 E487 E488	E480-Q484 WeakPolarHBondContact O-CG 3.43Å; E480-Q484 PolarHBondContact O-N 3.4Å; E480-Q484 VanDerWaalsContact O-N 3.08Å; E480-Q484 PolarHBondContact OE1-NE2 3.09Å; E480-Q484 VanDerWaalsContact OE1-NE2 3.17Å; L481-Q484 PolarHBondContact O-N 3.01Å; Q484-E487 PolarHBondContact O-N 2.95Å; Q484-E488 PolarHBondContact O-N 3.24Å
485	L	81.9	Confident	77.4	Confident	20 Å²	20	73.9 Å²	73.9	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-49.8	-179.8	-175.6	160.8	0	0	0	111.7	L481 E487 E488 A489 E841 K892 W922	L481-L485 WeakPolarHBondContact O-CB 3.49Å; L481-L485 PolarHBondContact O-N 2.85Å; L485-E487 VanDerWaalsContact C-N 3.27Å; L485-E487 PolarHBondContact O-N 3.21Å; L485-E488 PolarHBondContact O-N 3.46Å; L485-A489 VanDerWaalsContact O-CB 3.24Å; L485-A489 WeakPolarHBondContact O-CB 3.21Å; L485-A489 PolarHBondContact O-N 3.27Å; L485-E841 HydrophobicContact CD1-CG 4.35Å; L485-E841 WeakPolarHBondContact CD1-O 3.29Å; L485-E841 HydrophobicContact CD2-CG 4.06Å; L485-E841 WeakPolarHBondContact CD2-OE1 3.49Å; L485-E841 HydrophobicContact CG-CG 4.26Å; L485-E841 WeakPolarHBondContact CG-OE1 3.19Å; L485-K892 HydrophobicContact CD1-CB 3.81Å; L485-K892 HydrophobicContact CD1-CG 4.38Å; L485-W922 HydrophobicContact CD2-CG 4.35Å
486	N	76.8	Confident	76.2	Confident	40 Å²	40	73.5 Å²	73.5	21%	0.214	36%	0.363	C	S	.	.	H	α-helix	trans	-60.7	-36.8	177.7	-85.3	-18.2	0	0	0	112	A482 K490 G920 W922	A482-N486 PolarHBondContact O-N 3.3Å; N486-K490 VanDerWaalsContact O-CB 3.29Å; N486-K490 WeakPolarHBondContact O-CB 3.35Å; N486-K490 PolarHBondContact O-N 3.37Å; N486-K490 VanDerWaalsContact O-N 3.15Å; N486-G920 PolarHBondContact ND2-O 3Å; N486-W922 PolarHBondContact OD1-N 2.89Å
487	E	78.2	Confident	74.9	Confident	107 Å²	107	77.7 Å²	77.7	50%	0.5	37%	0.372	S	S	.	.	H	α-helix	trans	-70.4	-46.4	177.6	-165.6	-176.5	167.5	0	0	112.4	A483 Q484 L485 K490 R491	A483-E487 PolarHBondContact O-N 2.94Å; Q484-E487 PolarHBondContact O-N 2.95Å; L485-E487 VanDerWaalsContact C-N 3.27Å; L485-E487 PolarHBondContact O-N 3.21Å; E487-K490 PolarHBondContact O-N 3.14Å; E487-R491 WeakPolarHBondContact O-CG 3.39Å; E487-R491 PolarHBondContact O-N 2.9Å; E487-R491 IonicContact OE1-CZ 3.78Å; E487-R491 IonicContact OE1-NE 2.98Å; E487-R491 PolarHBondContact OE1-NE 3.13Å; E487-R491 IonicContact OE1-NH2 3.21Å; E487-R491 PolarHBondContact OE1-NH2 3.09Å
488	E	79.1	Confident	73	Confident	106 Å²	106	77.8 Å²	77.8	50%	0.495	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-44	178.5	-169.5	-174.9	156.6	0	0	111.2	Q484 L485 K490 R491 R492	Q484-E488 PolarHBondContact O-N 3.24Å; L485-E488 PolarHBondContact O-N 3.46Å; E488-K490 VanDerWaalsContact C-N 3.34Å; E488-K490 PolarHBondContact O-N 3.48Å; E488-R491 PolarHBondContact O-N 3.48Å; E488-R492 WeakPolarHBondContact O-CB 3.2Å; E488-R492 PolarHBondContact O-N 3.23Å
489	A	75.2	Confident	70.5	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-61.1	-43.1	177.8	0	0	0	0	0	111.8	L485 R492 L493 E841 F917	L485-A489 VanDerWaalsContact O-CB 3.24Å; L485-A489 WeakPolarHBondContact O-CB 3.21Å; L485-A489 PolarHBondContact O-N 3.27Å; A489-R492 PolarHBondContact O-N 3.06Å; A489-L493 WeakPolarHBondContact O-CB 3.49Å; A489-L493 PolarHBondContact O-N 3.4Å; A489-E841 WeakPolarHBondContact CB-OE1 3.23Å; A489-F917 HydrophobicContact CB-CE1 3.7Å; A489-F917 HydrophobicContact CB-CZ 3.55Å
490	K	74.1	Confident	68.1	Low	113 Å²	113	87.8 Å²	87.8	49%	0.491	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-43.1	175.7	-173.1	173.5	-175.3	168.5	0	111.7	N486 E487 E488 T494 F917	N486-K490 VanDerWaalsContact O-CB 3.29Å; N486-K490 WeakPolarHBondContact O-CB 3.35Å; N486-K490 PolarHBondContact O-N 3.37Å; N486-K490 VanDerWaalsContact O-N 3.15Å; E487-K490 PolarHBondContact O-N 3.14Å; E488-K490 VanDerWaalsContact C-N 3.34Å; E488-K490 PolarHBondContact O-N 3.48Å; K490-T494 WeakPolarHBondContact O-CB 3.49Å; K490-T494 WeakPolarHBondContact O-CG2 3.37Å; K490-T494 PolarHBondContact O-N 3.3Å; K490-T494 VanDerWaalsContact O-N 3.12Å; K490-T494 PolarHBondContact O-OG1 3.25Å; K490-F917 HydrophobicContact CB-CD1 4.35Å; K490-F917 HydrophobicContact CB-CD2 4.24Å; K490-F917 HydrophobicContact CB-CE1 4.48Å; K490-F917 HydrophobicContact CB-CE2 4.39Å; K490-F917 HydrophobicContact CB-CG 4.25Å; K490-F917 HydrophobicContact CD-CB 4.41Å; K490-F917 HydrophobicContact CG-CD2 4.33Å; K490-F917 HydrophobicContact CG-CG 4.43Å
491	R	76.8	Confident	65.8	Low	150 Å²	150	90.7 Å²	90.7	57%	0.566	45%	0.451	S	S	*	.	H	α-helix	trans	-62.8	-47.1	175.2	-72.4	178.2	-175.6	-156.3	5.2	111.7	E487 E488 L493 T494 E495	E487-R491 WeakPolarHBondContact O-CG 3.39Å; E487-R491 PolarHBondContact O-N 2.9Å; E487-R491 IonicContact OE1-CZ 3.78Å; E487-R491 IonicContact OE1-NE 2.98Å; E487-R491 PolarHBondContact OE1-NE 3.13Å; E487-R491 IonicContact OE1-NH2 3.21Å; E487-R491 PolarHBondContact OE1-NH2 3.09Å; E488-R491 PolarHBondContact O-N 3.48Å; R491-L493 PolarHBondContact O-N 3.5Å; R491-T494 WeakPolarHBondContact CA-OG1 3.44Å; R491-T494 PolarHBondContact O-N 2.82Å; R491-T494 PolarHBondContact O-OG1 3.13Å; R491-E495 WeakPolarHBondContact O-CB 3.4Å; R491-E495 WeakPolarHBondContact O-CG 3.47Å; R491-E495 PolarHBondContact O-N 3.32Å
492	R	76.5	Confident	63.5	Low	49 Å²	49	97.1 Å²	97.1	19%	0.185	48%	0.484	C	S	.	.	H	α-helix	trans	-62.4	-42.4	-178.6	-171.2	175.2	64.3	-138.2	-0.1	113	E488 A489 Q496 E841 K862	E488-R492 WeakPolarHBondContact O-CB 3.2Å; E488-R492 PolarHBondContact O-N 3.23Å; A489-R492 PolarHBondContact O-N 3.06Å; R492-Q496 WeakPolarHBondContact O-CB 3.43Å; R492-Q496 PolarHBondContact O-N 2.83Å; R492-E841 IonicContact CZ-OE2 2.96Å; R492-E841 IonicContact NH1-OE2 2.68Å; R492-E841 PolarHBondContact NH1-OE2 3Å; R492-E841 IonicContact NH2-OE1 2.82Å; R492-E841 IonicContact NH2-OE2 2.88Å; R492-E841 PolarHBondContact NH2-OE2 3.44Å; R492-K862 PolarHBondContact NH2-O 2.88Å
493	L	68.1	Low	61.1	Low	35 Å²	35	104.6 Å²	104.6	18%	0.183	52%	0.516	C	S	.	.	H	α-helix	trans	-74.5	-31.6	-179.9	-76.5	158.6	0	0	0	112.9	A489 R491 Y864 P913 F917	A489-L493 WeakPolarHBondContact O-CB 3.49Å; A489-L493 PolarHBondContact O-N 3.4Å; R491-L493 PolarHBondContact O-N 3.5Å; L493-Y864 HydrophobicContact CD1-CD2 3.95Å; L493-Y864 HydrophobicContact CD1-CE2 3.58Å; L493-P913 HydrophobicContact CD1-CB 4.37Å; L493-F917 HydrophobicContact CD1-CE2 3.49Å; L493-F917 VanDerWaalsContact CD1-CE2 3.49Å; L493-F917 HydrophobicContact CD1-CZ 3.67Å
494	T	66.4	Low	59	Low	80 Å²	80	110.2 Å²	110.2	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-72.3	-37.1	172.7	47.7	0	0	0	0	112.2	K490 R491	K490-T494 WeakPolarHBondContact O-CB 3.49Å; K490-T494 WeakPolarHBondContact O-CG2 3.37Å; K490-T494 PolarHBondContact O-N 3.3Å; K490-T494 VanDerWaalsContact O-N 3.12Å; K490-T494 PolarHBondContact O-OG1 3.25Å; R491-T494 WeakPolarHBondContact CA-OG1 3.44Å; R491-T494 PolarHBondContact O-N 2.82Å; R491-T494 PolarHBondContact O-OG1 3.13Å
495	E	60.9	Low	56.8	Low	147 Å²	147	110.3 Å²	110.3	69%	0.687	55%	0.545	S	S	*	.	H	α-helix	trans	-71.3	-38.7	176.2	-73.6	-179.9	179.2	0	0	113.2	R491 K497 G498	R491-E495 WeakPolarHBondContact O-CB 3.4Å; R491-E495 WeakPolarHBondContact O-CG 3.47Å; R491-E495 PolarHBondContact O-N 3.32Å; E495-K497 PolarHBondContact O-N 2.93Å; E495-G498 PolarHBondContact O-N 3.48Å
496	Q	53.3	Low	54.8	Low	129 Å²	129	116.8 Å²	116.8	60%	0.603	57%	0.568	S	S	*	*	H	α-helix	trans	-61	-27.5	177.8	-91.8	-173.3	-7.3	0	0	113.5	R492 G498 E499	R492-Q496 WeakPolarHBondContact O-CB 3.43Å; R492-Q496 PolarHBondContact O-N 2.83Å; Q496-G498 PolarHBondContact O-N 3.34Å; Q496-E499 PolarHBondContact O-N 3.47Å
497	K	51.2	Low	53.4	Low	142 Å²	142	122.8 Å²	122.8	62%	0.617	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	173.2	-76.1	-174.4	-179.2	178.3	0	112.7	E495 E914	E495-K497 PolarHBondContact O-N 2.93Å; K497-E914 IonicContact NZ-OE1 3.68Å; K497-E914 PolarHBondContact NZ-OE1 2.84Å
498	G	40	Very low	52.3	Low	61 Å²	61	121.8 Å²	121.8	63%	0.629	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-23.1	-179.6	0	0	0	0	0	115	E495 Q496 Q500	E495-G498 PolarHBondContact O-N 3.48Å; Q496-G498 PolarHBondContact O-N 3.34Å; G498-Q500 PolarHBondContact O-N 2.8Å
499	E	34.5	Very low	51.8	Low	169 Å²	169	120.9 Å²	120.9	79%	0.79	60%	0.596	S	S	*	*	S	Bend	trans	-78.6	94.1	173.7	-73.9	-166	159.3	0	0	109.3	Q496 Q501	Q496-E499 PolarHBondContact O-N 3.47Å; E499-Q501 PolarHBondContact O-N 3.19Å
500	Q	31.8	Very low	51.6	Low	179 Å²	179	125 Å²	125	84%	0.836	62%	0.621	S	S	*	*			trans	-36.4	112.5	173.6	-72.1	178.6	0.4	0	0	110.1	G498 I502	G498-Q500 PolarHBondContact O-N 2.8Å; Q500-I502 PolarHBondContact O-N 3.36Å
501	Q	33.6	Very low	51.8	Low	175 Å²	175	120.5 Å²	120.5	82%	0.818	60%	0.604	S	S	*	*			trans	-39.7	109.1	170.6	-73.1	177.3	1.8	0	0	107.7	E499 Q503	E499-Q501 PolarHBondContact O-N 3.19Å; Q501-Q503 PolarHBondContact O-N 2.88Å
502	I	32.8	Very low	52.1	Low	153 Å²	153	114.7 Å²	114.7	79%	0.785	58%	0.582	S	S	*	*			trans	-56.6	98.8	165.3	-64.3	171.9	0	0	0	103.4	Q500 K504	Q500-I502 PolarHBondContact O-N 3.36Å; I502-K504 PolarHBondContact O-N 3.32Å
503	Q	30.9	Very low	52.2	Low	176 Å²	176	121.1 Å²	121.1	82%	0.822	61%	0.611	S	S	*	*			trans	-59.4	97.6	175.4	-85.1	-174.1	3.9	0	0	104.3	Q501 A505	Q501-Q503 PolarHBondContact O-N 2.88Å; Q503-A505 VanDerWaalsContact C-N 3.29Å; Q503-A505 PolarHBondContact O-N 3.1Å
504	K	36.4	Very low	52.8	Low	185 Å²	185	123.2 Å²	123.2	80%	0.804	62%	0.623	S	S	*	*			trans	-55.3	101.8	177	-75.6	178.4	177.5	175.5	0	104.7	I502 R506	I502-K504 PolarHBondContact O-N 3.32Å; K504-R506 PolarHBondContact O-N 2.96Å
505	A	34.3	Very low	53.3	Low	100 Å²	100	125 Å²	125	83%	0.826	64%	0.636	S	S	*	*			trans	-66.6	78.9	172.5	0	0	0	0	0	106.7	Q503 K507	Q503-A505 VanDerWaalsContact C-N 3.29Å; Q503-A505 PolarHBondContact O-N 3.1Å; A505-K507 PolarHBondContact O-N 3.15Å
506	R	40.5	Very low	54.3	Low	157 Å²	157	122.3 Å²	122.3	59%	0.592	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-55.8	127.4	174.7	-98.1	-174.5	168	177	-3.7	106.5	K504 S508 E583	K504-R506 PolarHBondContact O-N 2.96Å; R506-S508 PolarHBondContact O-N 3.1Å; R506-S508 VanDerWaalsContact O-N 3.11Å; R506-E583 IonicContact CZ-OE2 2.65Å; R506-E583 IonicContact NH2-OE2 3.19Å; R506-E583 PolarHBondContact NH2-OE2 3.28Å
507	K	47.5	Very low	55.8	Low	166 Å²	166	119.4 Å²	119.4	72%	0.722	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-52.1	122.3	175.5	-71.5	177	-175.1	164.6	0	107.4	A505 N509 E639	A505-K507 PolarHBondContact O-N 3.15Å; K507-N509 PolarHBondContact O-N 3.24Å; K507-E639 IonicContact NZ-OE1 3.64Å
508	S	55.2	Low	57.3	Low	86 Å²	86	114.9 Å²	114.9	60%	0.601	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-63.6	136.4	-178.3	70.9	0	0	0	0	109.7	R506 V510	R506-S508 PolarHBondContact O-N 3.1Å; R506-S508 VanDerWaalsContact O-N 3.11Å; S508-V510 PolarHBondContact O-N 2.88Å
509	N	67	Low	59.4	Low	86 Å²	86	113.1 Å²	113.1	46%	0.46	58%	0.58	S	S	.	*			trans	-72.7	19.3	175.4	-63.4	-13.9	0	0	0	112.3	K507 S511	K507-N509 PolarHBondContact O-N 3.24Å; N509-S511 PolarHBondContact O-N 3.06Å; N509-S511 VanDerWaalsContact O-N 3.12Å
510	V	71.7	Confident	61.8	Low	86 Å²	86	113 Å²	113	52%	0.521	58%	0.577	S	S	.	*			trans	-78.2	98.4	-178.2	178.9	0	0	0	0	108.1	S508 Y512	S508-V510 PolarHBondContact O-N 2.88Å; V510-Y512 VanDerWaalsContact C-N 3.34Å; V510-Y512 WeakPolarHBondContact CG1-O 3.49Å; V510-Y512 PolarHBondContact O-N 2.89Å
511	S	77.7	Confident	64.4	Low	20 Å²	20	108.4 Å²	108.4	14%	0.14	56%	0.556	C	S	.	*	S	Bend	trans	-60.7	-41.1	179.6	-57.3	0	0	0	0	113	N509 Y535 T537 H550	N509-S511 PolarHBondContact O-N 3.06Å; N509-S511 VanDerWaalsContact O-N 3.12Å; S511-Y535 WeakPolarHBondContact O-CD1 3.37Å; S511-T537 WeakPolarHBondContact CB-OG1 3.5Å; S511-T537 PolarHBondContact OG-OG1 2.8Å; S511-H550 PolarHBondContact OG-CD2 3.42Å
512	Y	83	Confident	66.8	Low	28 Å²	28	103.7 Å²	103.7	11%	0.11	54%	0.54	C	S	.	.			trans	-125.1	113.1	-178.2	-47.9	-65.1	0	0	0	109.8	V510 N514 L517 P519 D532 Y535 T537 I539 P548	V510-Y512 VanDerWaalsContact C-N 3.34Å; V510-Y512 WeakPolarHBondContact CG1-O 3.49Å; V510-Y512 PolarHBondContact O-N 2.89Å; Y512-N514 PolarHBondContact O-N 2.97Å; Y512-L517 HydrophobicContact CD1-CB 4.03Å; Y512-P519 HydrophobicContact CE1-CG 4.49Å; Y512-D532 WeakPolarHBondContact OH-CB 3.37Å; Y512-D532 PolarHBondContact OH-OD2 3.06Å; Y512-Y535 HydrophobicContact CD1-CD2 4.38Å; Y512-Y535 HydrophobicContact CD1-CG 4.39Å; Y512-Y535 AromaticContact CE1-CD2 3.78Å; Y512-Y535 HydrophobicContact CE1-CD2 3.78Å; Y512-Y535 HydrophobicContact CE1-CE2 4.42Å; Y512-Y535 AromaticContact CE1-CG 3.92Å; Y512-Y535 HydrophobicContact CE1-CG 3.92Å; Y512-T537 HydrophobicContact CE2-CG2 3.89Å; Y512-I539 HydrophobicContact CE2-CD1 4.35Å; Y512-P548 HydrophobicContact CD2-CB 4.02Å; Y512-P548 HydrophobicContact CD2-CG 4.23Å; Y512-P548 HydrophobicContact CE2-CB 3.67Å; Y512-P548 HydrophobicContact CE2-CG 4.34Å
513	K	79.4	Confident	69.3	Low	183 Å²	183	100.6 Å²	100.6	80%	0.796	52%	0.522	S	S	*	.	S	Bend	trans	-68.7	-25.2	178.3	-66.5	-173.6	179.1	-175.9	0	113	L517	K513-L517 HydrophobicContact CB-CD1 4.45Å
514	N	80.4	Confident	71.9	Confident	79 Å²	79	93 Å²	93	42%	0.422	49%	0.487	S	S	.	.	S	Bend	trans	-148.2	148.2	-178.9	30.2	17.6	0	0	0	110	Y512 S516 L517	Y512-N514 PolarHBondContact O-N 2.97Å; N514-S516 PolarHBondContact O-N 3.2Å; N514-L517 PolarHBondContact O-N 2.86Å; N514-L517 WeakPolarHBondContact OD1-CD1 3.46Å; N514-L517 VanDerWaalsContact OD1-CG 3.22Å; N514-L517 WeakPolarHBondContact OD1-CG 3.47Å
515	P	78	Confident	74.2	Confident	119 Å²	119	93.5 Å²	93.5	77%	0.773	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-57.5	-23	-176.4	-26	34.1	0	0	0	114.5	L517 M518	P515-L517 PolarHBondContact O-N 3.5Å; P515-M518 WeakPolarHBondContact O-CB 3.42Å; P515-M518 PolarHBondContact O-N 2.94Å
516	S	81.7	Confident	76.7	Confident	89 Å²	89	93.8 Å²	93.8	62%	0.622	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.9	176.3	49.1	0	0	0	0	114.1	N514 M518	N514-S516 PolarHBondContact O-N 3.2Å; S516-M518 VanDerWaalsContact C-N 3.34Å
517	L	83.9	Confident	78.9	Confident	68 Å²	68	90.6 Å²	90.6	36%	0.356	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-83.7	-11.1	177.3	-65.1	175.9	0	0	0	113	Y512 K513 N514 P515	Y512-L517 HydrophobicContact CD1-CB 4.03Å; K513-L517 HydrophobicContact CB-CD1 4.45Å; N514-L517 PolarHBondContact O-N 2.86Å; N514-L517 WeakPolarHBondContact OD1-CD1 3.46Å; N514-L517 VanDerWaalsContact OD1-CG 3.22Å; N514-L517 WeakPolarHBondContact OD1-CG 3.47Å; P515-L517 PolarHBondContact O-N 3.5Å
518	M	83.3	Confident	80.9	Confident	48 Å²	48	86.1 Å²	86.1	24%	0.236	44%	0.442	C	S	.	.	S	Bend	trans	-67	129.9	178.6	-168	170.4	178	0	0	109.8	P515 S516 K520 I524 I539 A546	P515-M518 WeakPolarHBondContact O-CB 3.42Å; P515-M518 PolarHBondContact O-N 2.94Å; S516-M518 VanDerWaalsContact C-N 3.34Å; M518-K520 PolarHBondContact O-N 3.08Å; M518-I524 HydrophobicContact CE-CG2 4.35Å; M518-I539 HydrophobicContact CE-CD1 3.98Å; M518-I539 HydrophobicContact CE-CG1 4.46Å; M518-I539 HydrophobicContact CE-CG2 3.75Å; M518-I539 HydrophobicContact CG-CD1 4.27Å; M518-A546 HydrophobicContact CE-CB 3.86Å
519	P	84.7	Confident	82.7	Confident	23 Å²	23	82.3 Å²	82.3	15%	0.149	41%	0.414	C	S	.	.			trans	-55.3	137.3	178.6	-24.6	32.5	0	0	0	111.5	Y512 E521 I524 Y530 D532 I539	Y512-P519 HydrophobicContact CE1-CG 4.49Å; P519-E521 VanDerWaalsContact C-N 3.33Å; P519-E521 HydrophobicContact CB-CG 4.23Å; P519-I524 HydrophobicContact CB-CD1 3.84Å; P519-I524 WeakPolarHBondContact O-CD1 3.28Å; P519-Y530 HydrophobicContact CB-CE1 3.94Å; P519-Y530 HydrophobicContact CG-CE1 4Å; P519-D532 HydrophobicContact CG-CB 4.26Å; P519-D532 WeakPolarHBondContact CG-OD2 3.46Å; P519-I539 HydrophobicContact CG-CD1 4.16Å
520	K	84.2	Confident	83.9	Confident	168 Å²	168	80.7 Å²	80.7	73%	0.73	40%	0.402	S	S	*	.			trans	-101	36.8	178.8	-65.2	-177.1	-179.6	177.3	0	112	M518	M518-K520 PolarHBondContact O-N 3.08Å
521	E	85.7	Confident	85	Confident	82 Å²	82	77.3 Å²	77.3	38%	0.383	38%	0.381	S	S	.	.			trans	-69.4	143.8	-176.7	-69.8	-65.2	160	0	0	111.8	P519 H523 I524 Y530	P519-E521 VanDerWaalsContact C-N 3.33Å; P519-E521 HydrophobicContact CB-CG 4.23Å; E521-H523 PolarHBondContact O-N 2.78Å; E521-I524 HydrophobicContact CB-CD1 4.11Å; E521-I524 HydrophobicContact CB-CG1 4.34Å; E521-I524 WeakPolarHBondContact O-CB 3.36Å; E521-I524 PolarHBondContact O-N 3.33Å; E521-Y530 HydrophobicContact CB-CD2 4.27Å; E521-Y530 HydrophobicContact CB-CE2 4.11Å; E521-Y530 HydrophobicContact CG-CD2 4.33Å; E521-Y530 HydrophobicContact CG-CE1 4.29Å; E521-Y530 HydrophobicContact CG-CE2 3.69Å
522	P	85.2	Confident	85.6	Confident	76 Å²	76	76.9 Å²	76.9	49%	0.494	38%	0.377	S	S	.	.	H	α-helix	trans	-54.5	-39.2	178.8	-25.5	33.9	0	0	0	112.9	I524 R525 E526	P522-I524 PolarHBondContact O-N 3.34Å; P522-R525 WeakPolarHBondContact O-CB 3.43Å; P522-R525 PolarHBondContact O-N 2.98Å; P522-E526 WeakPolarHBondContact O-CG 3.39Å; P522-E526 PolarHBondContact O-N 3.06Å
523	H	84.4	Confident	85.9	Confident	88 Å²	88	80 Å²	80	41%	0.407	39%	0.392	S	S	.	.	H	α-helix	trans	-57.2	-34.3	178.5	-63.5	159.8	0	0	0	113.2	E521 E526 M527 K528	E521-H523 PolarHBondContact O-N 2.78Å; H523-E526 PolarHBondContact O-N 2.84Å; H523-M527 PolarHBondContact O-N 3.21Å; H523-K528 HydrophobicContact CB-CB 4.17Å; H523-K528 WeakPolarHBondContact O-CB 3.34Å; H523-K528 PolarHBondContact O-N 3.38Å
524	I	85.5	Confident	86.2	Confident	17 Å²	17	79 Å²	79	9%	0.087	39%	0.387	C	S	.	.	H	α-helix	trans	-70.5	-38	178.9	-62.4	168	0	0	0	110.3	M518 P519 E521 P522 E526 M527 Y530 I539 A546	M518-I524 HydrophobicContact CE-CG2 4.35Å; P519-I524 HydrophobicContact CB-CD1 3.84Å; P519-I524 WeakPolarHBondContact O-CD1 3.28Å; E521-I524 HydrophobicContact CB-CD1 4.11Å; E521-I524 HydrophobicContact CB-CG1 4.34Å; E521-I524 WeakPolarHBondContact O-CB 3.36Å; E521-I524 PolarHBondContact O-N 3.33Å; P522-I524 PolarHBondContact O-N 3.34Å; I524-E526 VanDerWaalsContact C-N 3.31Å; I524-M527 PolarHBondContact O-N 3.17Å; I524-Y530 HydrophobicContact CD1-CD1 3.77Å; I524-Y530 HydrophobicContact CD1-CE1 4.36Å; I524-Y530 HydrophobicContact CD1-CG 4.08Å; I524-Y530 HydrophobicContact CG1-CD1 4.14Å; I524-Y530 HydrophobicContact CG1-CG 3.95Å; I524-I539 HydrophobicContact CD1-CD1 3.73Å; I524-I539 HydrophobicContact CG1-CG2 4.35Å; I524-I539 HydrophobicContact CG2-CG2 4.24Å; I524-A546 HydrophobicContact CG2-CB 3.62Å
525	R	85.1	Confident	86.5	Confident	194 Å²	194	78.8 Å²	78.8	73%	0.732	38%	0.381	S	S	*	.	H	α-helix	trans	-68.9	-32.6	176.4	-63.4	-174.8	179.8	-171.6	0.1	112.2	P522 M527	P522-R525 WeakPolarHBondContact O-CB 3.43Å; P522-R525 PolarHBondContact O-N 2.98Å; R525-M527 PolarHBondContact O-N 2.85Å
526	E	86.7	Confident	87.1	Confident	107 Å²	107	74 Å²	74	50%	0.5	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	6.6	175.4	-67.4	173.5	-167.8	0	0	113.3	P522 H523 I524 K528	P522-E526 WeakPolarHBondContact O-CG 3.39Å; P522-E526 PolarHBondContact O-N 3.06Å; H523-E526 PolarHBondContact O-N 2.84Å; I524-E526 VanDerWaalsContact C-N 3.31Å; E526-K528 HydrophobicContact CB-CD 4.24Å; E526-K528 HydrophobicContact CB-CG 4.23Å; E526-K528 PolarHBondContact O-N 3.1Å; E526-K528 VanDerWaalsContact OE2-CE 3.25Å; E526-K528 WeakPolarHBondContact OE2-CE 3.49Å; E526-K528 IonicContact OE2-NZ 2.82Å; E526-K528 PolarHBondContact OE2-NZ 3.09Å
527	M	87.1	Confident	87.6	Confident	89 Å²	89	69.8 Å²	69.8	44%	0.438	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	35.8	-176.6	-59	-64	172.5	0	0	113	H523 I524 R525 P541 G544	H523-M527 PolarHBondContact O-N 3.21Å; I524-M527 PolarHBondContact O-N 3.17Å; R525-M527 PolarHBondContact O-N 2.85Å; M527-P541 HydrophobicContact CB-CB 4.13Å; M527-P541 WeakPolarHBondContact O-CG 3.46Å; M527-P541 HydrophobicContact SD-CB 4.15Å; M527-G544 WeakPolarHBondContact CE-O 3.49Å
528	K	89.5	Confident	88.1	Confident	72 Å²	72	66.6 Å²	66.6	31%	0.313	30%	0.302	S	S	.	.			trans	-93.4	152.6	171.5	-67.5	174.5	177.3	164.8	0	110.2	H523 E526 Y530	H523-K528 HydrophobicContact CB-CB 4.17Å; H523-K528 WeakPolarHBondContact O-CB 3.34Å; H523-K528 PolarHBondContact O-N 3.38Å; E526-K528 HydrophobicContact CB-CD 4.24Å; E526-K528 HydrophobicContact CB-CG 4.23Å; E526-K528 PolarHBondContact O-N 3.1Å; E526-K528 VanDerWaalsContact OE2-CE 3.25Å; E526-K528 WeakPolarHBondContact OE2-CE 3.49Å; E526-K528 IonicContact OE2-NZ 2.82Å; E526-K528 PolarHBondContact OE2-NZ 3.09Å; K528-Y530 PolarHBondContact O-N 2.79Å
529	I	92.4	Very high	88.5	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.031	29%	0.291	C	S	.	.			trans	-68.5	126.8	175.3	-57	178	0	0	0	108.2	I531 V538 L568 Y600 N617 L618 A621	I529-I531 HydrophobicContact CG2-CD1 4.18Å; I529-V538 HydrophobicContact CG2-CG1 3.91Å; I529-L568 HydrophobicContact CD1-CD2 3.85Å; I529-Y600 HydrophobicContact CD1-CD2 3.62Å; I529-Y600 HydrophobicContact CD1-CE2 4.02Å; I529-Y600 HydrophobicContact CD1-CG 4.02Å; I529-N617 PolarHBondContact N-OD1 3.1Å; I529-N617 PolarHBondContact O-ND2 3.12Å; I529-L618 HydrophobicContact CD1-CD2 3.64Å; I529-L618 HydrophobicContact CG1-CD2 4.5Å; I529-A621 HydrophobicContact CB-CB 4.15Å; I529-A621 HydrophobicContact CG2-CB 3.82Å
530	Y	93.1	Very high	88.9	Confident	52 Å²	52	63.3 Å²	63.3	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136	178.8	177.2	-95.7	0	0	0	110.1	P519 E521 I524 K528 D532 I539	P519-Y530 HydrophobicContact CB-CE1 3.94Å; P519-Y530 HydrophobicContact CG-CE1 4Å; E521-Y530 HydrophobicContact CB-CD2 4.27Å; E521-Y530 HydrophobicContact CB-CE2 4.11Å; E521-Y530 HydrophobicContact CG-CD2 4.33Å; E521-Y530 HydrophobicContact CG-CE1 4.29Å; E521-Y530 HydrophobicContact CG-CE2 3.69Å; I524-Y530 HydrophobicContact CD1-CD1 3.77Å; I524-Y530 HydrophobicContact CD1-CE1 4.36Å; I524-Y530 HydrophobicContact CD1-CG 4.08Å; I524-Y530 HydrophobicContact CG1-CD1 4.14Å; I524-Y530 HydrophobicContact CG1-CG 3.95Å; K528-Y530 PolarHBondContact O-N 2.79Å; Y530-D532 HydrophobicContact CE1-CB 4.02Å; Y530-I539 HydrophobicContact CD1-CD1 4.15Å; Y530-I539 PolarHBondContact N-O 2.8Å; Y530-I539 PolarHBondContact O-N 2.82Å
531	I	93.3	Very high	89.3	Confident	15 Å²	15	56.4 Å²	56.4	8%	0.077	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.2	179.3	-57.6	80.6	0	0	0	108.4	I529 K533 V538 A621 I624 I625 V628	I529-I531 HydrophobicContact CG2-CD1 4.18Å; I531-K533 PolarHBondContact O-N 3.48Å; I531-V538 HydrophobicContact CG1-CG1 4.43Å; I531-V538 HydrophobicContact CG1-CG2 4.37Å; I531-A621 HydrophobicContact CD1-CB 3.81Å; I531-I624 HydrophobicContact CB-CG2 3.71Å; I531-I624 HydrophobicContact CD1-CB 4.33Å; I531-I624 HydrophobicContact CD1-CG2 4.45Å; I531-I624 HydrophobicContact CG1-CB 4.38Å; I531-I624 HydrophobicContact CG1-CG2 4.06Å; I531-I624 HydrophobicContact CG2-CG2 3.7Å; I531-I625 HydrophobicContact CD1-CG1 4.32Å; I531-I625 HydrophobicContact CG1-CD1 4.46Å; I531-I625 HydrophobicContact CG1-CG1 3.79Å; I531-V628 HydrophobicContact CG2-CG2 4.25Å
532	D	91.5	Very high	89.5	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.064	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	99.7	168.8	-169	-29.2	0	0	0	109.1	Y512 P519 Y530 K534 Y535 E536 T537	Y512-D532 WeakPolarHBondContact OH-CB 3.37Å; Y512-D532 PolarHBondContact OH-OD2 3.06Å; P519-D532 HydrophobicContact CG-CB 4.26Å; P519-D532 WeakPolarHBondContact CG-OD2 3.46Å; Y530-D532 HydrophobicContact CE1-CB 4.02Å; D532-K534 PolarHBondContact O-N 3.45Å; D532-K534 WeakPolarHBondContact OD1-CA 3.36Å; D532-K534 VanDerWaalsContact OD1-CB 3.27Å; D532-K534 WeakPolarHBondContact OD1-CB 3.36Å; D532-K534 PolarHBondContact OD1-N 3.24Å; D532-Y535 PolarHBondContact OD1-N 3.04Å; D532-Y535 VanDerWaalsContact OD1-N 3.1Å; D532-Y535 WeakPolarHBondContact OD2-CD2 3.29Å; D532-E536 VanDerWaalsContact O-CA 3.29Å; D532-E536 WeakPolarHBondContact O-CA 3.5Å; D532-E536 PolarHBondContact O-N 3.49Å; D532-T537 PolarHBondContact N-O 2.73Å; D532-T537 PolarHBondContact O-N 2.74Å; D532-T537 VanDerWaalsContact O-N 3.09Å
533	K	88.5	Confident	89.7	Confident	94 Å²	94	60.6 Å²	60.6	41%	0.409	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.5	177	-66.3	-167.1	174.6	-152.9	0	113.1	I531 I624 E627 V628	I531-K533 PolarHBondContact O-N 3.48Å; K533-I624 HydrophobicContact CG-CG2 4.3Å; K533-E627 VanDerWaalsContact NZ-CD 3.29Å; K533-E627 IonicContact NZ-OE1 3.65Å; K533-E627 PolarHBondContact NZ-OE1 2.83Å; K533-E627 IonicContact NZ-OE2 2.68Å; K533-E627 PolarHBondContact NZ-OE2 3Å; K533-V628 HydrophobicContact CG-CG2 4.32Å
534	K	85.9	Confident	89.7	Confident	162 Å²	162	58.9 Å²	58.9	70%	0.704	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-43.7	-176.3	-179.3	-175.3	175.1	-173.5	0	111.3	D532	D532-K534 PolarHBondContact O-N 3.45Å; D532-K534 WeakPolarHBondContact OD1-CA 3.36Å; D532-K534 VanDerWaalsContact OD1-CB 3.27Å; D532-K534 WeakPolarHBondContact OD1-CB 3.36Å; D532-K534 PolarHBondContact OD1-N 3.24Å
535	Y	87.2	Confident	90	Very high	73 Å²	73	63.5 Å²	63.5	29%	0.286	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	2.6	177.7	-68.8	-79.8	0	0	0	113.6	S511 Y512 D532 T537	S511-Y535 WeakPolarHBondContact O-CD1 3.37Å; Y512-Y535 HydrophobicContact CD1-CD2 4.38Å; Y512-Y535 HydrophobicContact CD1-CG 4.39Å; Y512-Y535 AromaticContact CE1-CD2 3.78Å; Y512-Y535 HydrophobicContact CE1-CD2 3.78Å; Y512-Y535 HydrophobicContact CE1-CE2 4.42Å; Y512-Y535 AromaticContact CE1-CG 3.92Å; Y512-Y535 HydrophobicContact CE1-CG 3.92Å; D532-Y535 PolarHBondContact OD1-N 3.04Å; D532-Y535 VanDerWaalsContact OD1-N 3.1Å; D532-Y535 WeakPolarHBondContact OD2-CD2 3.29Å; Y535-T537 VanDerWaalsContact C-N 3.26Å; Y535-T537 PolarHBondContact O-N 2.93Å; Y535-T537 PolarHBondContact O-OG1 3.02Å
536	E	89.8	Confident	90.2	Very high	19 Å²	19	55.6 Å²	55.6	9%	0.089	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	44.9	177.7	-59.2	171.5	163.2	0	0	111.5	D532 H550 I551 V628 Y632 R635	D532-E536 VanDerWaalsContact O-CA 3.29Å; D532-E536 WeakPolarHBondContact O-CA 3.5Å; D532-E536 PolarHBondContact O-N 3.49Å; E536-H550 PolarHBondContact O-CD2 2.83Å; E536-I551 HydrophobicContact CB-CG2 3.95Å; E536-I551 WeakPolarHBondContact O-CB 3.46Å; E536-I551 PolarHBondContact O-N 3.19Å; E536-V628 HydrophobicContact CB-CG1 4.01Å; E536-V628 HydrophobicContact CG-CG1 4.07Å; E536-Y632 WeakPolarHBondContact OE2-CD2 3.46Å; E536-R635 IonicContact OE1-CZ 3.61Å; E536-R635 IonicContact OE1-NH1 3.62Å; E536-R635 PolarHBondContact OE1-NH1 2.81Å; E536-R635 IonicContact OE1-NH2 3.44Å; E536-R635 PolarHBondContact OE1-NH2 2.93Å; E536-R635 IonicContact OE2-CZ 3.33Å; E536-R635 IonicContact OE2-NH1 2.78Å; E536-R635 IonicContact OE2-NH2 3.66Å; E536-R635 PolarHBondContact OE2-NH2 2.9Å
537	T	92.4	Very high	90.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.8	-172.4	-43.9	0	0	0	0	110.4	S511 Y512 D532 Y535 I539 P548 F549	S511-T537 WeakPolarHBondContact CB-OG1 3.5Å; S511-T537 PolarHBondContact OG-OG1 2.8Å; Y512-T537 HydrophobicContact CE2-CG2 3.89Å; D532-T537 PolarHBondContact N-O 2.73Å; D532-T537 PolarHBondContact O-N 2.74Å; D532-T537 VanDerWaalsContact O-N 3.09Å; Y535-T537 VanDerWaalsContact C-N 3.26Å; Y535-T537 PolarHBondContact O-N 2.93Å; Y535-T537 PolarHBondContact O-OG1 3.02Å; T537-I539 HydrophobicContact CG2-CG1 4.47Å; T537-P548 HydrophobicContact CG2-CB 3.61Å; T537-F549 CarbonylContact C-O 3.56Å; T537-F549 WeakPolarHBondContact CA-O 3.41Å; T537-F549 WeakPolarHBondContact CG2-O 3.32Å
538	V	93.9	Very high	90.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.7	169.4	-173	0	0	0	0	107.8	I529 I531 M540 F549 I551 I554 I625	I529-V538 HydrophobicContact CG2-CG1 3.91Å; I531-V538 HydrophobicContact CG1-CG1 4.43Å; I531-V538 HydrophobicContact CG1-CG2 4.37Å; V538-M540 HydrophobicContact CB-CE 4.19Å; V538-M540 HydrophobicContact CG1-CE 3.98Å; V538-F549 PolarHBondContact N-O 3.27Å; V538-F549 PolarHBondContact O-N 2.76Å; V538-I551 HydrophobicContact CG2-CD1 4.37Å; V538-I554 HydrophobicContact CB-CD1 4.16Å; V538-I554 HydrophobicContact CG2-CD1 3.69Å; V538-I625 HydrophobicContact CG1-CD1 3.91Å; V538-I625 HydrophobicContact CG1-CG1 4.43Å; V538-I625 HydrophobicContact CG2-CD1 4.04Å; V538-I625 HydrophobicContact CG2-CG1 3.79Å
539	I	93.3	Very high	90.7	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.2	172.8	-59.3	176	0	0	0	107.1	Y512 M518 P519 I524 Y530 T537 A546 P548	Y512-I539 HydrophobicContact CE2-CD1 4.35Å; M518-I539 HydrophobicContact CE-CD1 3.98Å; M518-I539 HydrophobicContact CE-CG1 4.46Å; M518-I539 HydrophobicContact CE-CG2 3.75Å; M518-I539 HydrophobicContact CG-CD1 4.27Å; P519-I539 HydrophobicContact CG-CD1 4.16Å; I524-I539 HydrophobicContact CD1-CD1 3.73Å; I524-I539 HydrophobicContact CG1-CG2 4.35Å; I524-I539 HydrophobicContact CG2-CG2 4.24Å; Y530-I539 HydrophobicContact CD1-CD1 4.15Å; Y530-I539 PolarHBondContact N-O 2.8Å; Y530-I539 PolarHBondContact O-N 2.82Å; T537-I539 HydrophobicContact CG2-CG1 4.47Å; I539-A546 HydrophobicContact CG2-CB 3.96Å; I539-P548 HydrophobicContact CG1-CB 4.26Å
540	M	92	Very high	90.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145	-176.8	69.7	-173.4	89.5	0	0	110.9	V538 V542 T547 F549 I570 F572 I598 Y600	V538-M540 HydrophobicContact CB-CE 4.19Å; V538-M540 HydrophobicContact CG1-CE 3.98Å; M540-V542 HydrophobicContact CG-CG2 4.17Å; M540-V542 PolarHBondContact O-N 3.4Å; M540-T547 PolarHBondContact N-O 2.87Å; M540-T547 PolarHBondContact O-N 3.19Å; M540-F549 HydrophobicContact CE-CB 3.61Å; M540-F549 HydrophobicContact CE-CD1 4.49Å; M540-F549 HydrophobicContact CE-CD2 3.27Å; M540-F549 HydrophobicContact CE-CE2 4Å; M540-F549 HydrophobicContact CE-CG 3.55Å; M540-F549 HydrophobicContact CG-CD2 3.69Å; M540-F549 HydrophobicContact CG-CE2 3.73Å; M540-F549 HydrophobicContact SD-CD2 3.78Å; M540-F549 HydrophobicContact SD-CE2 3.89Å; M540-F549 HydrophobicContact SD-CG 4.48Å; M540-I570 HydrophobicContact CE-CD1 4.29Å; M540-I570 HydrophobicContact SD-CD1 4.23Å; M540-F572 HydrophobicContact CE-CE1 3.96Å; M540-F572 HydrophobicContact CE-CZ 3.61Å; M540-F572 HydrophobicContact SD-CZ 3.84Å; M540-I598 HydrophobicContact SD-CD1 3.88Å; M540-Y600 HydrophobicContact CB-CE2 4.06Å; M540-Y600 WeakPolarHBondContact CB-OH 3.45Å; M540-Y600 HydrophobicContact CG-CE2 4.45Å; M540-Y600 WeakPolarHBondContact CG-OH 3.5Å; M540-Y600 HydrophobicContact SD-CE2 4.18Å
541	P	91.9	Very high	90.5	Very high	24 Å²	24	47.8 Å²	47.8	16%	0.156	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115	-178.3	31.1	-34.9	0	0	0	111	M527 I545 Y600	M527-P541 HydrophobicContact CB-CB 4.13Å; M527-P541 WeakPolarHBondContact O-CG 3.46Å; M527-P541 HydrophobicContact SD-CB 4.15Å; P541-I545 CarbonylContact C-O 3.53Å; P541-I545 WeakPolarHBondContact CA-O 3.13Å; P541-Y600 VanDerWaalsContact C-OH 3.3Å; P541-Y600 HydrophobicContact CG-CE1 3.74Å; P541-Y600 WeakPolarHBondContact O-CE1 3.34Å; P541-Y600 PolarHBondContact O-OH 2.97Å
542	V	90.3	Very high	90.2	Very high	33 Å²	33	48.3 Å²	48.3	20%	0.2	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.5	175.6	-176.2	0	0	0	0	108	M540 G544 I545 F549 I598	M540-V542 HydrophobicContact CG-CG2 4.17Å; M540-V542 PolarHBondContact O-N 3.4Å; V542-G544 PolarHBondContact O-N 3.04Å; V542-G544 VanDerWaalsContact O-N 3.14Å; V542-I545 PolarHBondContact N-O 3.05Å; V542-I545 PolarHBondContact O-N 3.23Å; V542-F549 HydrophobicContact CG2-CE2 4.02Å; V542-F549 HydrophobicContact CG2-CZ 4.4Å; V542-I598 HydrophobicContact CG2-CD1 4.05Å
543	F	89	Confident	90	Very high	213 Å²	213	50 Å²	50	93%	0.934	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	38.4	-175.2	-59.2	-66.2	0	0	0	114.4	I545	F543-I545 VanDerWaalsContact C-N 3.33Å
544	G	86.4	Confident	90.1	Very high	51 Å²	51	45.7 Å²	45.7	53%	0.526	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	11.5	-179.8	0	0	0	0	0	114.9	M527 V542	M527-G544 WeakPolarHBondContact CE-O 3.49Å; V542-G544 PolarHBondContact O-N 3.04Å; V542-G544 VanDerWaalsContact O-N 3.14Å
545	I	89.9	Confident	90.1	Very high	114 Å²	114	41.7 Å²	41.7	59%	0.585	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.9	177.6	-56.7	174	0	0	0	108.7	P541 V542 F543 T547	P541-I545 CarbonylContact C-O 3.53Å; P541-I545 WeakPolarHBondContact CA-O 3.13Å; V542-I545 PolarHBondContact N-O 3.05Å; V542-I545 PolarHBondContact O-N 3.23Å; F543-I545 VanDerWaalsContact C-N 3.33Å; I545-T547 PolarHBondContact O-N 3.28Å; I545-T547 VanDerWaalsContact O-N 3.16Å; I545-T547 PolarHBondContact O-OG1 3.39Å
546	A	90.2	Very high	90.3	Very high	28 Å²	28	41.5 Å²	41.5	23%	0.231	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	107.2	174.7	0	0	0	0	0	110.3	M518 I524 I539	M518-A546 HydrophobicContact CE-CB 3.86Å; I524-A546 HydrophobicContact CG2-CB 3.62Å; I539-A546 HydrophobicContact CG2-CB 3.96Å
547	T	91.2	Very high	90.5	Very high	41 Å²	41	41.2 Å²	41.2	25%	0.252	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124	-173.7	-52.1	0	0	0	0	110.7	M540 I545 F549	M540-T547 PolarHBondContact N-O 2.87Å; M540-T547 PolarHBondContact O-N 3.19Å; I545-T547 PolarHBondContact O-N 3.28Å; I545-T547 VanDerWaalsContact O-N 3.16Å; I545-T547 PolarHBondContact O-OG1 3.39Å; T547-F549 HydrophobicContact CG2-CD2 4.2Å; T547-F549 HydrophobicContact CG2-CE2 3.51Å; T547-F549 HydrophobicContact CG2-CZ 3.96Å; T547-F549 WeakPolarHBondContact O-CD2 3.27Å
548	P	91.2	Very high	90.5	Very high	56 Å²	56	43.8 Å²	43.8	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.9	179.2	32.2	-33.3	0	0	0	112.4	Y512 T537 I539	Y512-P548 HydrophobicContact CD2-CB 4.02Å; Y512-P548 HydrophobicContact CD2-CG 4.23Å; Y512-P548 HydrophobicContact CE2-CB 3.67Å; Y512-P548 HydrophobicContact CE2-CG 4.34Å; T537-P548 HydrophobicContact CG2-CB 3.61Å; I539-P548 HydrophobicContact CG1-CB 4.26Å
549	F	91.5	Very high	90.5	Very high	38 Å²	38	47.1 Å²	47.1	17%	0.167	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.5	171.3	-67.6	-99.2	0	0	0	109.7	T537 V538 M540 V542 T547 F572	T537-F549 CarbonylContact C-O 3.56Å; T537-F549 WeakPolarHBondContact CA-O 3.41Å; T537-F549 WeakPolarHBondContact CG2-O 3.32Å; V538-F549 PolarHBondContact N-O 3.27Å; V538-F549 PolarHBondContact O-N 2.76Å; M540-F549 HydrophobicContact CE-CB 3.61Å; M540-F549 HydrophobicContact CE-CD1 4.49Å; M540-F549 HydrophobicContact CE-CD2 3.27Å; M540-F549 HydrophobicContact CE-CE2 4Å; M540-F549 HydrophobicContact CE-CG 3.55Å; M540-F549 HydrophobicContact CG-CD2 3.69Å; M540-F549 HydrophobicContact CG-CE2 3.73Å; M540-F549 HydrophobicContact SD-CD2 3.78Å; M540-F549 HydrophobicContact SD-CE2 3.89Å; M540-F549 HydrophobicContact SD-CG 4.48Å; V542-F549 HydrophobicContact CG2-CE2 4.02Å; V542-F549 HydrophobicContact CG2-CZ 4.4Å; T547-F549 HydrophobicContact CG2-CD2 4.2Å; T547-F549 HydrophobicContact CG2-CE2 3.51Å; T547-F549 HydrophobicContact CG2-CZ 3.96Å; T547-F549 WeakPolarHBondContact O-CD2 3.27Å; F549-F572 HydrophobicContact CB-CE1 4.11Å; F549-F572 HydrophobicContact CD1-CD1 4.1Å; F549-F572 AromaticContact CD1-CE1 3.48Å; F549-F572 HydrophobicContact CD1-CE1 3.48Å; F549-F572 VanDerWaalsContact CD1-CE1 3.48Å; F549-F572 HydrophobicContact CD1-CZ 4.05Å; F549-F572 HydrophobicContact CE1-CE1 4.01Å; F549-F572 HydrophobicContact CE1-CZ 4.22Å; F549-F572 AromaticContact CG-CE1 3.86Å; F549-F572 HydrophobicContact CG-CE1 3.86Å; F549-F572 HydrophobicContact CG-CZ 4.31Å
550	H	91.3	Very high	90.5	Very high	25 Å²	25	49.3 Å²	49.3	12%	0.116	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146.1	175.9	-175.6	-102.3	0	0	0	110.7	S511 E536 A552 T553 Y632	S511-H550 PolarHBondContact OG-CD2 3.42Å; E536-H550 PolarHBondContact O-CD2 2.83Å; H550-A552 WeakPolarHBondContact ND1-CB 3.41Å; H550-A552 PolarHBondContact ND1-N 3.39Å; H550-A552 PolarHBondContact O-N 3.15Å; H550-T553 PolarHBondContact O-N 3.22Å; H550-T553 PolarHBondContact O-OG1 3.44Å; H550-Y632 AromaticContact CE1-CE2 3.68Å
551	I	90.6	Very high	90.5	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-56.6	-28.8	-176	-163.1	67	0	0	0	113.2	E536 V538 T553 I554 I625 V628 Q629 Y632	E536-I551 HydrophobicContact CB-CG2 3.95Å; E536-I551 WeakPolarHBondContact O-CB 3.46Å; E536-I551 PolarHBondContact O-N 3.19Å; V538-I551 HydrophobicContact CG2-CD1 4.37Å; I551-T553 PolarHBondContact O-N 2.94Å; I551-I554 HydrophobicContact CD1-CD1 4.36Å; I551-I554 PolarHBondContact O-N 2.87Å; I551-I625 HydrophobicContact CD1-CG2 3.83Å; I551-V628 HydrophobicContact CB-CG1 4.28Å; I551-V628 HydrophobicContact CD1-CG1 4.33Å; I551-V628 HydrophobicContact CG1-CG1 4.05Å; I551-V628 HydrophobicContact CG2-CG1 4.43Å; I551-Q629 HydrophobicContact CD1-CB 4.15Å; I551-Q629 HydrophobicContact CG1-CB 4.1Å; I551-Q629 HydrophobicContact CG1-CG 4.32Å; I551-Y632 HydrophobicContact CG2-CD1 4.17Å; I551-Y632 HydrophobicContact CG2-CD2 3.7Å; I551-Y632 HydrophobicContact CG2-CE2 4.28Å; I551-Y632 HydrophobicContact CG2-CG 3.64Å
552	A	86.3	Confident	90.4	Very high	26 Å²	26	57.7 Å²	57.7	22%	0.215	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-65.7	-20.1	177.8	0	0	0	0	0	114	H550 Y573 Y632	H550-A552 WeakPolarHBondContact ND1-CB 3.41Å; H550-A552 PolarHBondContact ND1-N 3.39Å; H550-A552 PolarHBondContact O-N 3.15Å; A552-Y573 WeakPolarHBondContact O-CD2 3.45Å; A552-Y632 HydrophobicContact CB-CE1 3.96Å
553	T	86.9	Confident	90.3	Very high	48 Å²	48	59.3 Å²	59.3	29%	0.294	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-83.6	-14.5	177.3	66.9	0	0	0	0	112.7	H550 I551 F572 Y573	H550-T553 PolarHBondContact O-N 3.22Å; H550-T553 PolarHBondContact O-OG1 3.44Å; I551-T553 PolarHBondContact O-N 2.94Å; T553-F572 VanDerWaalsContact O-CA 3.28Å; T553-F572 WeakPolarHBondContact O-CA 3.49Å; T553-Y573 PolarHBondContact O-N 2.93Å
554	I	90.1	Very high	90.3	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.7	-177.4	-59.9	175.5	0	0	0	109.7	V538 I551 I557 I570 F572 Q629	V538-I554 HydrophobicContact CB-CD1 4.16Å; V538-I554 HydrophobicContact CG2-CD1 3.69Å; I551-I554 HydrophobicContact CD1-CD1 4.36Å; I551-I554 PolarHBondContact O-N 2.87Å; I554-I557 HydrophobicContact CG2-CG2 3.78Å; I554-I570 HydrophobicContact CD1-CG2 4.06Å; I554-I570 HydrophobicContact CG1-CG2 4.01Å; I554-I570 HydrophobicContact CG2-CG2 3.79Å; I554-F572 HydrophobicContact CG1-CD1 4.04Å; I554-F572 HydrophobicContact CG1-CE1 3.77Å; I554-Q629 PolarHBondContact O-NE2 2.85Å
555	K	87.9	Confident	90.6	Very high	78 Å²	78	56 Å²	56	34%	0.339	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-58	177.6	-179.4	174.4	-179.8	174.1	0	110.7	N571 Y573 S577 Q629	K555-N571 WeakPolarHBondContact CB-O 3.48Å; K555-N571 PolarHBondContact N-O 2.92Å; K555-Y573 HydrophobicContact CB-CD1 4.03Å; K555-Y573 HydrophobicContact CB-CD2 4.25Å; K555-Y573 HydrophobicContact CB-CE1 3.87Å; K555-Y573 HydrophobicContact CB-CE2 4.09Å; K555-Y573 HydrophobicContact CB-CG 4.22Å; K555-Y573 HydrophobicContact CD-CD1 4.29Å; K555-Y573 HydrophobicContact CD-CE1 4.19Å; K555-Y573 HydrophobicContact CG-CD1 4.17Å; K555-Y573 HydrophobicContact CG-CE1 3.73Å; K555-S577 PolarHBondContact NZ-O 3.47Å; K555-Q629 PolarHBondContact O-NE2 2.75Å
556	N	90.1	Very high	90.7	Very high	69 Å²	69	50.5 Å²	50.5	37%	0.369	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.5	176.8	65.4	43	0	0	0	110.6	N571	N556-N571 PolarHBondContact N-O 3.46Å; N556-N571 PolarHBondContact O-N 3.43Å; N556-N571 WeakPolarHBondContact OD1-CB 3.4Å; N556-N571 PolarHBondContact OD1-ND2 3.27Å
557	I	93.3	Very high	91	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.1	174.2	55.1	166.7	0	0	0	109.3	I554 R569 I570 F622 I625 K626	I554-I557 HydrophobicContact CG2-CG2 3.78Å; I557-R569 WeakPolarHBondContact CA-O 3.45Å; I557-I570 HydrophobicContact CG2-CB 4.32Å; I557-I570 HydrophobicContact CG2-CG1 4.03Å; I557-I570 HydrophobicContact CG2-CG2 4.09Å; I557-F622 HydrophobicContact CB-CD2 4.39Å; I557-F622 HydrophobicContact CD1-CD2 3.61Å; I557-F622 HydrophobicContact CD1-CE2 4.01Å; I557-F622 HydrophobicContact CD1-CG 4.28Å; I557-F622 WeakPolarHBondContact CD1-O 3.16Å; I557-F622 HydrophobicContact CG1-CD2 4.01Å; I557-F622 HydrophobicContact CG1-CE2 4Å; I557-I625 HydrophobicContact CD1-CB 3.59Å; I557-I625 HydrophobicContact CD1-CG2 3.45Å; I557-I625 VanDerWaalsContact CD1-CG2 3.45Å; I557-I625 HydrophobicContact CG1-CG2 4.24Å; I557-I625 HydrophobicContact CG2-CG2 3.99Å; I557-K626 HydrophobicContact CD1-CG 3.72Å; I557-K626 HydrophobicContact CG1-CG 4.16Å
558	S	93.7	Very high	91.2	Very high	55 Å²	55	49.7 Å²	49.7	39%	0.385	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.7	173.4	61.3	0	0	0	0	109.9	R569	S558-R569 PolarHBondContact N-O 2.91Å; S558-R569 PolarHBondContact O-N 3.42Å
559	M	94	Very high	91.3	Very high	71 Å²	71	51.9 Å²	51.9	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.1	177.6	-175.9	-175.6	74.1	0	0	108.1	T566 Y567 L568 Q619 F622	M559-T566 HydrophobicContact CG-CG2 3.93Å; M559-T566 HydrophobicContact SD-CG2 4.19Å; M559-Y567 CarbonylContact C-O 3.51Å; M559-Y567 VanDerWaalsContact CA-O 3.23Å; M559-Y567 WeakPolarHBondContact CA-O 3.45Å; M559-Y567 WeakPolarHBondContact CG-O 3.42Å; M559-L568 HydrophobicContact CB-CD1 4.48Å; M559-Q619 HydrophobicContact SD-CB 4.42Å; M559-Q619 HydrophobicContact SD-CG 3.93Å; M559-F622 HydrophobicContact CB-CD1 4.5Å; M559-F622 HydrophobicContact CB-CD2 3.77Å; M559-F622 HydrophobicContact CB-CE2 3.98Å; M559-F622 HydrophobicContact CB-CG 4.05Å; M559-F622 HydrophobicContact CB-CZ 4.4Å; M559-F622 HydrophobicContact CE-CD1 4.46Å; M559-F622 HydrophobicContact SD-CB 4.16Å; M559-F622 HydrophobicContact SD-CD1 4.39Å; M559-F622 HydrophobicContact SD-CG 4.26Å
560	S	93.3	Very high	91.5	Very high	48 Å²	48	50.1 Å²	50.1	34%	0.336	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.1	173.6	60.2	0	0	0	0	109.9	E562 Y567	S560-E562 PolarHBondContact OG-OE1 3.36Å; S560-Y567 PolarHBondContact N-O 3.24Å; S560-Y567 PolarHBondContact O-N 2.91Å
561	V	91.1	Very high	91.6	Very high	88 Å²	88	50.1 Å²	50.1	53%	0.533	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	114.4	173.9	-177.8	0	0	0	0	106.7	T566	V561-T566 HydrophobicContact CG2-CG2 4.43Å
562	E	89.4	Confident	91.6	Very high	111 Å²	111	50.4 Å²	50.4	52%	0.519	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	101.6	-175.9	-67.7	165.5	-146.1	0	0	108.1	S560 D564 Y565 Y567	S560-E562 PolarHBondContact OG-OE1 3.36Å; E562-D564 PolarHBondContact O-N 3.11Å; E562-Y565 PolarHBondContact N-O 2.93Å; E562-Y565 PolarHBondContact O-N 2.99Å; E562-Y567 HydrophobicContact CB-CD2 4.19Å; E562-Y567 HydrophobicContact CB-CE2 3.85Å; E562-Y567 HydrophobicContact CG-CD2 4.42Å; E562-Y567 HydrophobicContact CG-CE2 4.45Å
563	G	88	Confident	91.5	Very high	67 Å²	67	51.6 Å²	51.6	69%	0.691	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	-124.7	-175.1	0	0	0	0	0	112.6	Y565 N604	G563-Y565 PolarHBondContact O-N 3.12Å; G563-N604 PolarHBondContact O-ND2 2.88Å
564	D	89.9	Confident	91.1	Very high	97 Å²	97	50.2 Å²	50.2	52%	0.519	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	6.8	-176.2	-63.8	-31.4	0	0	0	114.2	E562 S603 N604 I605	E562-D564 PolarHBondContact O-N 3.11Å; D564-S603 WeakPolarHBondContact O-CA 3.19Å; D564-S603 PolarHBondContact O-OG 2.79Å; D564-N604 PolarHBondContact O-N 3Å; D564-I605 HydrophobicContact CB-CD1 3.77Å; D564-I605 HydrophobicContact CB-CG1 4.14Å
565	Y	92.5	Very high	90.2	Very high	97 Å²	97	52.8 Å²	52.8	38%	0.38	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.3	-176.7	-65.1	-88.7	0	0	0	112.5	E562 G563 A602 N604	E562-Y565 PolarHBondContact N-O 2.93Å; E562-Y565 PolarHBondContact O-N 2.99Å; G563-Y565 PolarHBondContact O-N 3.12Å; Y565-A602 WeakPolarHBondContact CA-O 3.23Å; Y565-N604 VanDerWaalsContact C-ND2 3.31Å; Y565-N604 PolarHBondContact N-ND2 2.85Å; Y565-N604 PolarHBondContact O-ND2 3.19Å
566	T	93.1	Very high	89.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.7	165.8	-66	0	0	0	0	108.9	M559 V561 R601 A602 N604 L618	M559-T566 HydrophobicContact CG-CG2 3.93Å; M559-T566 HydrophobicContact SD-CG2 4.19Å; V561-T566 HydrophobicContact CG2-CG2 4.43Å; T566-R601 CarbonylContact O-C 3.55Å; T566-R601 VanDerWaalsContact O-CA 3.28Å; T566-R601 WeakPolarHBondContact O-CA 3.44Å; T566-A602 PolarHBondContact N-O 3.45Å; T566-A602 PolarHBondContact O-N 2.91Å; T566-N604 PolarHBondContact OG1-OD1 3.19Å; T566-L618 HydrophobicContact CG2-CB 4.36Å; T566-L618 HydrophobicContact CG2-CD1 4.46Å; T566-L618 VanDerWaalsContact O-CD1 3.3Å; T566-L618 WeakPolarHBondContact O-CD1 3.2Å
567	Y	95.1	Very high	88	Confident	51 Å²	51	50.9 Å²	50.9	20%	0.2	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.5	177	-64.3	-98.9	0	0	0	110.2	M559 S560 E562 T599 Y600 R601	M559-Y567 CarbonylContact C-O 3.51Å; M559-Y567 VanDerWaalsContact CA-O 3.23Å; M559-Y567 WeakPolarHBondContact CA-O 3.45Å; M559-Y567 WeakPolarHBondContact CG-O 3.42Å; S560-Y567 PolarHBondContact N-O 3.24Å; S560-Y567 PolarHBondContact O-N 2.91Å; E562-Y567 HydrophobicContact CB-CD2 4.19Å; E562-Y567 HydrophobicContact CB-CE2 3.85Å; E562-Y567 HydrophobicContact CG-CD2 4.42Å; E562-Y567 HydrophobicContact CG-CE2 4.45Å; Y567-T599 HydrophobicContact CD1-CG2 4.01Å; Y567-Y600 CarbonylContact C-O 3.6Å; Y567-Y600 VanDerWaalsContact CA-O 3.28Å; Y567-Y600 WeakPolarHBondContact CA-O 3.4Å; Y567-R601 HydrophobicContact CD1-CB 3.6Å; Y567-R601 HydrophobicContact CE1-CB 3.56Å; Y567-R601 HydrophobicContact CE1-CG 4.32Å; Y567-R601 HydrophobicContact CG-CB 4.25Å
568	L	95.3	Very high	86.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.1	171.2	177.4	64.1	0	0	0	108.2	I529 M559 I570 T599 Y600 L618 A621 F622	I529-L568 HydrophobicContact CD1-CD2 3.85Å; M559-L568 HydrophobicContact CB-CD1 4.48Å; L568-I570 HydrophobicContact CD2-CD1 4.49Å; L568-I570 HydrophobicContact CG-CG1 4.29Å; L568-T599 WeakPolarHBondContact O-CA 3.45Å; L568-Y600 PolarHBondContact N-O 3.05Å; L568-Y600 PolarHBondContact O-N 3.29Å; L568-L618 HydrophobicContact CB-CB 4.18Å; L568-L618 HydrophobicContact CB-CD1 4.23Å; L568-L618 HydrophobicContact CB-CD2 4.14Å; L568-L618 HydrophobicContact CB-CG 4.42Å; L568-L618 HydrophobicContact CD2-CB 4.48Å; L568-L618 HydrophobicContact CD2-CD2 4.13Å; L568-A621 HydrophobicContact CD2-CB 4.02Å; L568-F622 HydrophobicContact CD1-CB 3.95Å; L568-F622 HydrophobicContact CD1-CD2 3.84Å; L568-F622 HydrophobicContact CD1-CG 4.38Å
569	R	95	Very high	83.9	Confident	103 Å²	103	58.4 Å²	58.4	39%	0.389	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.5	176.7	-178.2	177.4	-177	177.6	5.2	109.5	I557 S558 N571 E597 T599	I557-R569 WeakPolarHBondContact CA-O 3.45Å; S558-R569 PolarHBondContact N-O 2.91Å; S558-R569 PolarHBondContact O-N 3.42Å; R569-N571 PolarHBondContact NE-OD1 2.88Å; R569-E597 IonicContact CZ-OE1 3.41Å; R569-E597 IonicContact CZ-OE2 3.09Å; R569-E597 IonicContact NE-OE1 2.69Å; R569-E597 IonicContact NE-OE2 2.8Å; R569-E597 PolarHBondContact NE-OE2 3.27Å; R569-E597 VanDerWaalsContact NH2-CD 3.29Å; R569-E597 IonicContact NH2-OE1 2.79Å; R569-E597 PolarHBondContact NH2-OE1 3.02Å; R569-E597 IonicContact NH2-OE2 3.54Å; R569-E597 PolarHBondContact NH2-OE2 3.17Å; R569-T599 HydrophobicContact CB-CG2 4.46Å
570	I	94.6	Very high	81.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.6	178.9	-55	177.9	0	0	0	107	M540 I554 I557 L568 F572 E597 I598	M540-I570 HydrophobicContact CE-CD1 4.29Å; M540-I570 HydrophobicContact SD-CD1 4.23Å; I554-I570 HydrophobicContact CD1-CG2 4.06Å; I554-I570 HydrophobicContact CG1-CG2 4.01Å; I554-I570 HydrophobicContact CG2-CG2 3.79Å; I557-I570 HydrophobicContact CG2-CB 4.32Å; I557-I570 HydrophobicContact CG2-CG1 4.03Å; I557-I570 HydrophobicContact CG2-CG2 4.09Å; L568-I570 HydrophobicContact CD2-CD1 4.49Å; L568-I570 HydrophobicContact CG-CG1 4.29Å; I570-F572 HydrophobicContact CB-CE2 4.32Å; I570-F572 HydrophobicContact CB-CZ 4.37Å; I570-F572 HydrophobicContact CG2-CE1 4.06Å; I570-F572 HydrophobicContact CG2-CE2 3.89Å; I570-F572 HydrophobicContact CG2-CZ 3.62Å; I570-E597 CarbonylContact O-C 3.58Å; I570-E597 VanDerWaalsContact O-CA 3.27Å; I570-E597 WeakPolarHBondContact O-CA 3.45Å; I570-I598 PolarHBondContact N-O 2.7Å; I570-I598 PolarHBondContact O-N 3.06Å
571	N	93.1	Very high	79.6	Confident	25 Å²	25	62.2 Å²	62.2	13%	0.134	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.1	177.2	-62.3	-50.8	0	0	0	109.1	K555 N556 R569 E597	K555-N571 WeakPolarHBondContact CB-O 3.48Å; K555-N571 PolarHBondContact N-O 2.92Å; N556-N571 PolarHBondContact N-O 3.46Å; N556-N571 PolarHBondContact O-N 3.43Å; N556-N571 WeakPolarHBondContact OD1-CB 3.4Å; N556-N571 PolarHBondContact OD1-ND2 3.27Å; R569-N571 PolarHBondContact NE-OD1 2.88Å; N571-E597 WeakPolarHBondContact OD1-CB 3.37Å; N571-E597 PolarHBondContact OD1-OE2 2.66Å
572	F	91.3	Very high	77.2	Confident	10 Å²	10	66 Å²	66	4%	0.044	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	162.2	-179.2	-61.2	-88	0	0	0	111.2	M540 F549 T553 I554 I570 V595 K596 I598	M540-F572 HydrophobicContact CE-CE1 3.96Å; M540-F572 HydrophobicContact CE-CZ 3.61Å; M540-F572 HydrophobicContact SD-CZ 3.84Å; F549-F572 HydrophobicContact CB-CE1 4.11Å; F549-F572 HydrophobicContact CD1-CD1 4.1Å; F549-F572 AromaticContact CD1-CE1 3.48Å; F549-F572 HydrophobicContact CD1-CE1 3.48Å; F549-F572 VanDerWaalsContact CD1-CE1 3.48Å; F549-F572 HydrophobicContact CD1-CZ 4.05Å; F549-F572 HydrophobicContact CE1-CE1 4.01Å; F549-F572 HydrophobicContact CE1-CZ 4.22Å; F549-F572 AromaticContact CG-CE1 3.86Å; F549-F572 HydrophobicContact CG-CE1 3.86Å; F549-F572 HydrophobicContact CG-CZ 4.31Å; T553-F572 VanDerWaalsContact O-CA 3.28Å; T553-F572 WeakPolarHBondContact O-CA 3.49Å; I554-F572 HydrophobicContact CG1-CD1 4.04Å; I554-F572 HydrophobicContact CG1-CE1 3.77Å; I570-F572 HydrophobicContact CB-CE2 4.32Å; I570-F572 HydrophobicContact CB-CZ 4.37Å; I570-F572 HydrophobicContact CG2-CE1 4.06Å; I570-F572 HydrophobicContact CG2-CE2 3.89Å; I570-F572 HydrophobicContact CG2-CZ 3.62Å; F572-V595 WeakPolarHBondContact CB-O 3.36Å; F572-V595 HydrophobicContact CD2-CB 4.48Å; F572-V595 HydrophobicContact CD2-CG1 3.94Å; F572-V595 HydrophobicContact CE2-CG1 4.03Å; F572-K596 PolarHBondContact N-O 3.15Å; F572-I598 HydrophobicContact CE2-CB 4.22Å; F572-I598 HydrophobicContact CE2-CD1 3.83Å; F572-I598 HydrophobicContact CE2-CG1 3.87Å; F572-I598 HydrophobicContact CZ-CD1 4.14Å
573	Y	84.4	Confident	75.2	Confident	51 Å²	51	64.7 Å²	64.7	20%	0.2	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-74.2	123.2	165.2	-66.2	-73.6	0	0	0	109.3	A552 T553 K555 F587	A552-Y573 WeakPolarHBondContact O-CD2 3.45Å; T553-Y573 PolarHBondContact O-N 2.93Å; K555-Y573 HydrophobicContact CB-CD1 4.03Å; K555-Y573 HydrophobicContact CB-CD2 4.25Å; K555-Y573 HydrophobicContact CB-CE1 3.87Å; K555-Y573 HydrophobicContact CB-CE2 4.09Å; K555-Y573 HydrophobicContact CB-CG 4.22Å; K555-Y573 HydrophobicContact CD-CD1 4.29Å; K555-Y573 HydrophobicContact CD-CE1 4.19Å; K555-Y573 HydrophobicContact CG-CD1 4.17Å; K555-Y573 HydrophobicContact CG-CE1 3.73Å; Y573-F587 WeakPolarHBondContact O-CE1 3.39Å; Y573-F587 VanDerWaalsContact O-CZ 3.25Å; Y573-F587 WeakPolarHBondContact O-CZ 3.05Å
574	C	78.9	Confident	73.1	Confident	18 Å²	18	64.7 Å²	64.7	12%	0.122	38%	0.375	C	S	.	.			trans	-122.7	154.4	168.6	55	0	0	0	0	110.7	G576 S577 F594	C574-G576 PolarHBondContact O-N 3.46Å; C574-S577 PolarHBondContact N-OG 3.18Å; C574-S577 WeakPolarHBondContact O-CB 3.2Å; C574-S577 PolarHBondContact O-N 3.36Å; C574-S577 VanDerWaalsContact O-N 3.08Å; C574-S577 PolarHBondContact O-OG 3.33Å; C574-S577 VanDerWaalsContact SG-CB 3.54Å; C574-F594 HydrophobicContact CB-CB 3.93Å; C574-F594 HydrophobicContact CB-CG 4.47Å
575	P	69.8	Low	70.9	Confident	57 Å²	57	67 Å²	67	37%	0.37	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	134.4	171.3	-22.7	30.6	0	0	0	110.8	S577 F587 F594	P575-S577 VanDerWaalsContact C-N 3.34Å; P575-S577 PolarHBondContact O-N 3.43Å; P575-F587 HydrophobicContact CB-CD2 4.34Å; P575-F587 HydrophobicContact CG-CB 4.49Å; P575-F587 HydrophobicContact CG-CD2 3.62Å; P575-F587 HydrophobicContact CG-CE2 3.99Å; P575-F587 HydrophobicContact CG-CG 4.02Å; P575-F594 VanDerWaalsContact CD-CD2 3.41Å; P575-F594 HydrophobicContact CG-CD2 3.62Å; P575-F594 HydrophobicContact CG-CE1 4.43Å; P575-F594 HydrophobicContact CG-CE2 3.42Å; P575-F594 VanDerWaalsContact CG-CE2 3.42Å; P575-F594 HydrophobicContact CG-CG 4.23Å; P575-F594 HydrophobicContact CG-CZ 3.87Å
576	G	68.6	Low	69.3	Low	72 Å²	72	66.2 Å²	66.2	74%	0.742	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-20.5	-176.4	0	0	0	0	0	116.1	C574 A578	C574-G576 PolarHBondContact O-N 3.46Å; G576-A578 PolarHBondContact O-N 3.1Å
577	S	64.4	Low	67.8	Low	34 Å²	34	68.3 Å²	68.3	24%	0.238	40%	0.398	C	S	.	.	S	Bend	trans	-79.4	0	-179.2	72.3	0	0	0	0	115.6	K555 C574 P575	K555-S577 PolarHBondContact NZ-O 3.47Å; C574-S577 PolarHBondContact N-OG 3.18Å; C574-S577 WeakPolarHBondContact O-CB 3.2Å; C574-S577 PolarHBondContact O-N 3.36Å; C574-S577 VanDerWaalsContact O-N 3.08Å; C574-S577 PolarHBondContact O-OG 3.33Å; C574-S577 VanDerWaalsContact SG-CB 3.54Å; P575-S577 VanDerWaalsContact C-N 3.34Å; P575-S577 PolarHBondContact O-N 3.43Å
578	A	53.2	Low	66.3	Low	50 Å²	50	72.6 Å²	72.6	41%	0.413	43%	0.432	S	S	.	.			trans	-123.6	56.2	-168.8	0	0	0	0	0	111.9	G576 G580	G576-A578 PolarHBondContact O-N 3.1Å; A578-G580 PolarHBondContact O-N 3.25Å
579	L	46.8	Very low	65.1	Low	177 Å²	177	76.9 Å²	76.9	93%	0.927	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	105.7	152.8	-84.6	88	0	0	0	106.9
580	G	50.4	Low	63.9	Low	72 Å²	72	75.4 Å²	75.4	74%	0.742	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.5	-0.6	172.2	0	0	0	0	0	117.7	A578	A578-G580 PolarHBondContact O-N 3.25Å
581	R	45.8	Very low	62.9	Low	127 Å²	127	84 Å²	84	48%	0.479	50%	0.499	S	S	.	.			trans	-114.7	96.6	162.7	-77.2	-166.2	-179.8	-162.8	-1.3	109.3	E583	R581-E583 PolarHBondContact O-N 2.84Å
582	N	41.8	Very low	62.3	Low	166 Å²	166	84.7 Å²	84.7	89%	0.888	51%	0.508	S	S	*	.			trans	-67.5	43.3	174.5	-81.6	-2.8	0	0	0	113.6
583	E	46.2	Very low	61.8	Low	84 Å²	84	91.2 Å²	91.2	39%	0.393	55%	0.549	S	S	.	.	S	Bend	trans	-123.2	106.1	173.1	-70.6	-176.7	-165.7	0	0	108.4	R506 R581 K640	R506-E583 IonicContact CZ-OE2 2.65Å; R506-E583 IonicContact NH2-OE2 3.19Å; R506-E583 PolarHBondContact NH2-OE2 3.28Å; R581-E583 PolarHBondContact O-N 2.84Å; E583-K640 IonicContact OE1-NZ 3.58Å; E583-K640 PolarHBondContact OE1-NZ 2.93Å
584	G	44.8	Very low	61.8	Low	68 Å²	68	92.1 Å²	92.1	70%	0.701	55%	0.554	S	S	*	*			trans	-44.9	140.1	-169.7	0	0	0	0	0	115.7	I586	G584-I586 PolarHBondContact O-N 3.02Å
585	N	44.4	Very low	62.1	Low	144 Å²	144	94.2 Å²	94.2	77%	0.77	57%	0.567	S	S	*	*			trans	32.3	71.7	161.9	-68.6	-14.3	0	0	0	115.3	F587	N585-F587 PolarHBondContact O-N 3.46Å
586	I	57.7	Low	63	Low	82 Å²	82	98.1 Å²	98.1	42%	0.421	58%	0.578	S	S	.	*			trans	-61.3	-7.3	174.1	-65.2	168	0	0	0	112.8	G584	G584-I586 PolarHBondContact O-N 3.02Å
587	F	61.5	Low	64	Low	44 Å²	44	98.4 Å²	98.4	19%	0.193	56%	0.56	C	S	.	*			trans	-113.9	112	-174.4	-57.7	-72.8	0	0	0	109.8	Y573 P575 N585 N589 F594	Y573-F587 WeakPolarHBondContact O-CE1 3.39Å; Y573-F587 VanDerWaalsContact O-CZ 3.25Å; Y573-F587 WeakPolarHBondContact O-CZ 3.05Å; P575-F587 HydrophobicContact CB-CD2 4.34Å; P575-F587 HydrophobicContact CG-CB 4.49Å; P575-F587 HydrophobicContact CG-CD2 3.62Å; P575-F587 HydrophobicContact CG-CE2 3.99Å; P575-F587 HydrophobicContact CG-CG 4.02Å; N585-F587 PolarHBondContact O-N 3.46Å; F587-N589 PolarHBondContact O-N 2.9Å; F587-F594 HydrophobicContact CB-CE1 4.15Å; F587-F594 HydrophobicContact CB-CZ 3.76Å; F587-F594 HydrophobicContact CD1-CD1 4.01Å; F587-F594 AromaticContact CD1-CE1 3.21Å; F587-F594 HydrophobicContact CD1-CE1 3.21Å; F587-F594 AromaticContact CD1-CZ 3.74Å; F587-F594 HydrophobicContact CD1-CZ 3.74Å; F587-F594 HydrophobicContact CE1-CD1 4.06Å; F587-F594 AromaticContact CE1-CE1 3.72Å; F587-F594 HydrophobicContact CE1-CE1 3.72Å; F587-F594 AromaticContact CG-CE1 3.78Å; F587-F594 HydrophobicContact CG-CE1 3.78Å; F587-F594 AromaticContact CG-CZ 3.81Å; F587-F594 HydrophobicContact CG-CZ 3.81Å
588	P	65	Low	65.4	Low	141 Å²	141	98.1 Å²	98.1	92%	0.916	56%	0.555	S	S	*	*	S	Bend	trans	-55.8	-22.4	178.2	-23.3	31.1	0	0	0	113.6
589	N	69.8	Low	67.4	Low	89 Å²	89	99.1 Å²	99.1	48%	0.476	56%	0.556	S	S	.	*			trans	-137.1	92.5	176.2	-172.1	-2.7	0	0	0	109.4	F587 E591 A592 F594	F587-N589 PolarHBondContact O-N 2.9Å; N589-E591 PolarHBondContact O-N 3.06Å; N589-E591 PolarHBondContact OD1-N 2.96Å; N589-A592 HydrophobicContact CB-CB 4.17Å; N589-A592 VanDerWaalsContact O-CB 3.29Å; N589-A592 WeakPolarHBondContact O-CB 3.31Å; N589-A592 PolarHBondContact O-N 3.04Å; N589-A592 VanDerWaalsContact O-N 3.13Å; N589-F594 VanDerWaalsContact O-CZ 3.29Å; N589-F594 WeakPolarHBondContact O-CZ 3.29Å
590	P	68.3	Low	69.6	Low	72 Å²	72	92.4 Å²	92.4	47%	0.468	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.1	179.7	-20.6	31.5	0	0	0	113.7	A592	P590-A592 VanDerWaalsContact C-N 3.3Å
591	E	75.3	Confident	71.6	Confident	181 Å²	181	96.9 Å²	96.9	85%	0.846	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.7	178.7	-59.3	-168	170.8	0	0	113.3	N589	N589-E591 PolarHBondContact O-N 3.06Å; N589-E591 PolarHBondContact OD1-N 2.96Å
592	A	79.4	Confident	73.8	Confident	40 Å²	40	91.7 Å²	91.7	33%	0.331	50%	0.497	S	S	.	.	S	Bend	trans	-64.7	155.9	175.7	0	0	0	0	0	111.4	N589 P590 F594	N589-A592 HydrophobicContact CB-CB 4.17Å; N589-A592 VanDerWaalsContact O-CB 3.29Å; N589-A592 WeakPolarHBondContact O-CB 3.31Å; N589-A592 PolarHBondContact O-N 3.04Å; N589-A592 VanDerWaalsContact O-N 3.13Å; P590-A592 VanDerWaalsContact C-N 3.3Å; A592-F594 HydrophobicContact CB-CE2 3.95Å; A592-F594 HydrophobicContact CB-CZ 3.94Å; A592-F594 WeakPolarHBondContact O-CD2 3.42Å; A592-F594 WeakPolarHBondContact O-CE2 3.36Å; A592-F594 PolarHBondContact O-N 3.34Å
593	T	81.3	Confident	76.1	Confident	147 Å²	147	85.1 Å²	85.1	90%	0.902	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-76.7	118.7	172.2	-49.9	0	0	0	0	109.8
594	F	83.3	Confident	78.1	Confident	69 Å²	69	83.4 Å²	83.4	30%	0.303	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-101.1	139	-179.7	-67.1	-83.3	0	0	0	111.9	C574 P575 F587 N589 A592 K596	C574-F594 HydrophobicContact CB-CB 3.93Å; C574-F594 HydrophobicContact CB-CG 4.47Å; P575-F594 VanDerWaalsContact CD-CD2 3.41Å; P575-F594 HydrophobicContact CG-CD2 3.62Å; P575-F594 HydrophobicContact CG-CE1 4.43Å; P575-F594 HydrophobicContact CG-CE2 3.42Å; P575-F594 VanDerWaalsContact CG-CE2 3.42Å; P575-F594 HydrophobicContact CG-CG 4.23Å; P575-F594 HydrophobicContact CG-CZ 3.87Å; F587-F594 HydrophobicContact CB-CE1 4.15Å; F587-F594 HydrophobicContact CB-CZ 3.76Å; F587-F594 HydrophobicContact CD1-CD1 4.01Å; F587-F594 AromaticContact CD1-CE1 3.21Å; F587-F594 HydrophobicContact CD1-CE1 3.21Å; F587-F594 AromaticContact CD1-CZ 3.74Å; F587-F594 HydrophobicContact CD1-CZ 3.74Å; F587-F594 HydrophobicContact CE1-CD1 4.06Å; F587-F594 AromaticContact CE1-CE1 3.72Å; F587-F594 HydrophobicContact CE1-CE1 3.72Å; F587-F594 AromaticContact CG-CE1 3.78Å; F587-F594 HydrophobicContact CG-CE1 3.78Å; F587-F594 AromaticContact CG-CZ 3.81Å; F587-F594 HydrophobicContact CG-CZ 3.81Å; N589-F594 VanDerWaalsContact O-CZ 3.29Å; N589-F594 WeakPolarHBondContact O-CZ 3.29Å; A592-F594 HydrophobicContact CB-CE2 3.95Å; A592-F594 HydrophobicContact CB-CZ 3.94Å; A592-F594 WeakPolarHBondContact O-CD2 3.42Å; A592-F594 WeakPolarHBondContact O-CE2 3.36Å; A592-F594 PolarHBondContact O-N 3.34Å; F594-K596 PolarHBondContact O-N 3.19Å
595	V	85.8	Confident	80	Confident	63 Å²	63	84.7 Å²	84.7	38%	0.382	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-80.9	116.1	167.1	178.9	0	0	0	0	107.8	F572 I598	F572-V595 WeakPolarHBondContact CB-O 3.36Å; F572-V595 HydrophobicContact CD2-CB 4.48Å; F572-V595 HydrophobicContact CD2-CG1 3.94Å; F572-V595 HydrophobicContact CE2-CG1 4.03Å; V595-I598 HydrophobicContact CG1-CD1 3.8Å; V595-I598 HydrophobicContact CG1-CG1 3.5Å; V595-I598 VanDerWaalsContact CG1-CG1 3.5Å
596	K	88.4	Confident	81.8	Confident	138 Å²	138	83.6 Å²	83.6	60%	0.6	44%	0.436	S	S	*	.			trans	-76.1	-46.6	176.4	-176.8	178.2	179	-179	0	111.4	F572 F594	F572-K596 PolarHBondContact N-O 3.15Å; F594-K596 PolarHBondContact O-N 3.19Å
597	E	91.4	Very high	82.8	Confident	79 Å²	79	81.7 Å²	81.7	37%	0.369	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.8	-178.1	63	-175.3	-131.8	0	0	111.6	R569 I570 N571	R569-E597 IonicContact CZ-OE1 3.41Å; R569-E597 IonicContact CZ-OE2 3.09Å; R569-E597 IonicContact NE-OE1 2.69Å; R569-E597 IonicContact NE-OE2 2.8Å; R569-E597 PolarHBondContact NE-OE2 3.27Å; R569-E597 VanDerWaalsContact NH2-CD 3.29Å; R569-E597 IonicContact NH2-OE1 2.79Å; R569-E597 PolarHBondContact NH2-OE1 3.02Å; R569-E597 IonicContact NH2-OE2 3.54Å; R569-E597 PolarHBondContact NH2-OE2 3.17Å; I570-E597 CarbonylContact O-C 3.58Å; I570-E597 VanDerWaalsContact O-CA 3.27Å; I570-E597 WeakPolarHBondContact O-CA 3.45Å; N571-E597 WeakPolarHBondContact OD1-CB 3.37Å; N571-E597 PolarHBondContact OD1-OE2 2.66Å
598	I	93.6	Very high	83.5	Confident	28 Å²	28	86.4 Å²	86.4	14%	0.144	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.8	170.3	-63.4	173.1	0	0	0	107.9	M540 V542 I570 F572 V595 Y600	M540-I598 HydrophobicContact SD-CD1 3.88Å; V542-I598 HydrophobicContact CG2-CD1 4.05Å; I570-I598 PolarHBondContact N-O 2.7Å; I570-I598 PolarHBondContact O-N 3.06Å; F572-I598 HydrophobicContact CE2-CB 4.22Å; F572-I598 HydrophobicContact CE2-CD1 3.83Å; F572-I598 HydrophobicContact CE2-CG1 3.87Å; F572-I598 HydrophobicContact CZ-CD1 4.14Å; V595-I598 HydrophobicContact CG1-CD1 3.8Å; V595-I598 HydrophobicContact CG1-CG1 3.5Å; V595-I598 VanDerWaalsContact CG1-CG1 3.5Å; I598-Y600 HydrophobicContact CB-CE2 4.45Å; I598-Y600 HydrophobicContact CG2-CD2 3.9Å; I598-Y600 HydrophobicContact CG2-CE1 4.32Å; I598-Y600 HydrophobicContact CG2-CE2 3.37Å
599	T	93.8	Very high	84.2	Confident	70 Å²	70	83.6 Å²	83.6	43%	0.429	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120	174.8	-57.2	0	0	0	0	109.6	Y567 L568 R569	Y567-T599 HydrophobicContact CD1-CG2 4.01Å; L568-T599 WeakPolarHBondContact O-CA 3.45Å; R569-T599 HydrophobicContact CB-CG2 4.46Å
600	Y	94.2	Very high	84.5	Confident	37 Å²	37	83.7 Å²	83.7	15%	0.145	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.1	169.9	-67.6	-77.3	0	0	0	109.7	I529 M540 P541 Y567 L568 I598	I529-Y600 HydrophobicContact CD1-CD2 3.62Å; I529-Y600 HydrophobicContact CD1-CE2 4.02Å; I529-Y600 HydrophobicContact CD1-CG 4.02Å; M540-Y600 HydrophobicContact CB-CE2 4.06Å; M540-Y600 WeakPolarHBondContact CB-OH 3.45Å; M540-Y600 HydrophobicContact CG-CE2 4.45Å; M540-Y600 WeakPolarHBondContact CG-OH 3.5Å; M540-Y600 HydrophobicContact SD-CE2 4.18Å; P541-Y600 VanDerWaalsContact C-OH 3.3Å; P541-Y600 HydrophobicContact CG-CE1 3.74Å; P541-Y600 WeakPolarHBondContact O-CE1 3.34Å; P541-Y600 PolarHBondContact O-OH 2.97Å; Y567-Y600 CarbonylContact C-O 3.6Å; Y567-Y600 VanDerWaalsContact CA-O 3.28Å; Y567-Y600 WeakPolarHBondContact CA-O 3.4Å; L568-Y600 PolarHBondContact N-O 3.05Å; L568-Y600 PolarHBondContact O-N 3.29Å; I598-Y600 HydrophobicContact CB-CE2 4.45Å; I598-Y600 HydrophobicContact CG2-CD2 3.9Å; I598-Y600 HydrophobicContact CG2-CE1 4.32Å; I598-Y600 HydrophobicContact CG2-CE2 3.37Å
601	R	92.5	Very high	85	Confident	166 Å²	166	88.8 Å²	88.8	63%	0.626	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	144.3	170.3	72.4	178.3	-177	174	-0.1	110.6	T566 Y567	T566-R601 CarbonylContact O-C 3.55Å; T566-R601 VanDerWaalsContact O-CA 3.28Å; T566-R601 WeakPolarHBondContact O-CA 3.44Å; Y567-R601 HydrophobicContact CD1-CB 3.6Å; Y567-R601 HydrophobicContact CE1-CB 3.56Å; Y567-R601 HydrophobicContact CE1-CG 4.32Å; Y567-R601 HydrophobicContact CG-CB 4.25Å
602	A	91.4	Very high	85.3	Confident	17 Å²	17	83.9 Å²	83.9	14%	0.14	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.2	175.4	0	0	0	0	0	110	Y565 T566 P614 A615 L618	Y565-A602 WeakPolarHBondContact CA-O 3.23Å; T566-A602 PolarHBondContact N-O 3.45Å; T566-A602 PolarHBondContact O-N 2.91Å; A602-P614 HydrophobicContact CB-CB 4.11Å; A602-A615 HydrophobicContact CB-CB 4.45Å; A602-L618 HydrophobicContact CB-CD1 3.61Å; A602-L618 HydrophobicContact CB-CG 4.01Å
603	S	90.7	Very high	85.5	Confident	29 Å²	29	84.2 Å²	84.2	20%	0.203	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.8	-179.5	-172.7	0	0	0	0	111.5	D564 I605 V613 A615	D564-S603 WeakPolarHBondContact O-CA 3.19Å; D564-S603 PolarHBondContact O-OG 2.79Å; S603-I605 VanDerWaalsContact C-N 3.28Å; S603-I605 WeakPolarHBondContact OG-CB 3.44Å; S603-I605 PolarHBondContact OG-N 3.39Å; S603-V613 WeakPolarHBondContact O-CG1 3.42Å; S603-A615 WeakPolarHBondContact O-CB 3.1Å; S603-A615 PolarHBondContact O-N 2.96Å; S603-A615 VanDerWaalsContact O-N 3.11Å
604	N	87.8	Confident	85.7	Confident	48 Å²	48	79.4 Å²	79.4	26%	0.257	43%	0.431	S	S	.	.	S	Bend	trans	-81.7	-9.9	168.5	-65.1	-32.4	0	0	0	112	G563 D564 Y565 T566 V613 A615	G563-N604 PolarHBondContact O-ND2 2.88Å; D564-N604 PolarHBondContact O-N 3Å; Y565-N604 VanDerWaalsContact C-ND2 3.31Å; Y565-N604 PolarHBondContact N-ND2 2.85Å; Y565-N604 PolarHBondContact O-ND2 3.19Å; T566-N604 PolarHBondContact OG1-OD1 3.19Å; N604-V613 VanDerWaalsContact O-CG1 3.31Å; N604-V613 WeakPolarHBondContact O-CG1 3.3Å; N604-A615 WeakPolarHBondContact OD1-CB 3.47Å
605	I	84.7	Confident	86	Confident	94 Å²	94	76.1 Å²	76.1	48%	0.482	42%	0.417	S	S	.	.	S	Bend	trans	-89.4	128.9	-178.9	-56.9	173.3	0	0	0	109.3	D564 S603 A607	D564-I605 HydrophobicContact CB-CD1 3.77Å; D564-I605 HydrophobicContact CB-CG1 4.14Å; S603-I605 VanDerWaalsContact C-N 3.28Å; S603-I605 WeakPolarHBondContact OG-CB 3.44Å; S603-I605 PolarHBondContact OG-N 3.39Å; I605-A607 PolarHBondContact O-N 3.39Å
606	K	82.4	Confident	86.2	Confident	122 Å²	122	76.6 Å²	76.6	53%	0.53	42%	0.417	S	S	.	.			trans	-80.4	112.2	174.6	-172.2	176.6	-179.6	174.7	0	109.9	E610 Q611 V613	K606-E610 WeakPolarHBondContact CE-O 3.37Å; K606-Q611 PolarHBondContact NZ-O 3.39Å; K606-V613 HydrophobicContact CB-CG2 4.24Å
607	A	78.2	Confident	86.3	Confident	42 Å²	42	71.7 Å²	71.7	35%	0.347	40%	0.397	S	S	.	.			trans	-69.8	147.4	175.6	0	0	0	0	0	111.5	I605 G609 E610	I605-A607 PolarHBondContact O-N 3.39Å; A607-G609 PolarHBondContact O-N 2.93Å; A607-G609 VanDerWaalsContact O-N 3.1Å; A607-E610 HydrophobicContact CB-CG 4.28Å; A607-E610 PolarHBondContact O-N 2.95Å; A607-E610 VanDerWaalsContact O-N 3.1Å
608	P	76.6	Confident	86.3	Confident	143 Å²	143	68.3 Å²	68.3	93%	0.929	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	115.8	175.6	-21.8	32.2	0	0	0	111.3
609	G	79.3	Confident	86.2	Confident	82 Å²	82	70.9 Å²	70.9	85%	0.845	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.5	-17.6	-178.7	0	0	0	0	0	115	A607	A607-G609 PolarHBondContact O-N 2.93Å; A607-G609 VanDerWaalsContact O-N 3.1Å
610	E	76.9	Confident	86.1	Confident	91 Å²	91	70.3 Å²	70.3	43%	0.425	39%	0.387	S	S	.	.			trans	-81.1	137.2	174.6	-70.8	-174.2	159	0	0	111.1	K606 A607	K606-E610 WeakPolarHBondContact CE-O 3.37Å; A607-E610 HydrophobicContact CB-CG 4.28Å; A607-E610 PolarHBondContact O-N 2.95Å; A607-E610 VanDerWaalsContact O-N 3.1Å
611	Q	77.5	Confident	86	Confident	179 Å²	179	68.6 Å²	68.6	84%	0.836	38%	0.381	S	S	*	.	S	Bend	trans	-78	-32.8	-179.1	-68.6	-175.9	0.4	0	0	112.8	K606	K606-Q611 PolarHBondContact NZ-O 3.39Å
612	T	81.3	Confident	86	Confident	77 Å²	77	62.5 Å²	62.5	47%	0.472	36%	0.359	S	S	.	.	S	Bend	trans	-130.4	149.7	-172.9	53.6	0	0	0	0	110.5
613	V	85.3	Confident	86.2	Confident	48 Å²	48	68.9 Å²	68.9	29%	0.291	38%	0.379	S	S	.	.			trans	-68.6	129.6	175.2	179.5	0	0	0	0	108.8	S603 N604 K606 A615 L616	S603-V613 WeakPolarHBondContact O-CG1 3.42Å; N604-V613 VanDerWaalsContact O-CG1 3.31Å; N604-V613 WeakPolarHBondContact O-CG1 3.3Å; K606-V613 HydrophobicContact CB-CG2 4.24Å; V613-A615 VanDerWaalsContact C-N 3.25Å; V613-A615 HydrophobicContact CG1-CB 4.07Å; V613-A615 PolarHBondContact O-N 3.49Å; V613-L616 WeakPolarHBondContact O-CB 3.23Å; V613-L616 PolarHBondContact O-N 2.77Å
614	P	85.1	Confident	86.3	Confident	45 Å²	45	69.1 Å²	69.1	29%	0.292	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.3	-179.5	-29.6	36	0	0	0	114	A602 L616 N617	A602-P614 HydrophobicContact CB-CB 4.11Å; P614-L616 PolarHBondContact O-N 2.92Å; P614-L616 VanDerWaalsContact O-N 3.11Å; P614-N617 PolarHBondContact O-N 3.01Å
615	A	88.6	Confident	86.5	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.008	37%	0.366	C	S	.	.	H	α-helix	trans	-57.9	-22.5	177.2	0	0	0	0	0	114.9	A602 S603 N604 V613 N617 L618 Q619	A602-A615 HydrophobicContact CB-CB 4.45Å; S603-A615 WeakPolarHBondContact O-CB 3.1Å; S603-A615 PolarHBondContact O-N 2.96Å; S603-A615 VanDerWaalsContact O-N 3.11Å; N604-A615 WeakPolarHBondContact OD1-CB 3.47Å; V613-A615 VanDerWaalsContact C-N 3.25Å; V613-A615 HydrophobicContact CG1-CB 4.07Å; V613-A615 PolarHBondContact O-N 3.49Å; A615-N617 PolarHBondContact O-N 3.19Å; A615-L618 PolarHBondContact O-N 3.19Å; A615-L618 VanDerWaalsContact O-N 3.07Å; A615-Q619 PolarHBondContact O-N 3.29Å; A615-Q619 VanDerWaalsContact O-N 3.08Å
616	L	89.6	Confident	86.9	Confident	73 Å²	73	67.5 Å²	67.5	38%	0.382	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-30	178.8	-173.7	63.9	0	0	0	112.4	V613 P614 N620	V613-L616 WeakPolarHBondContact O-CB 3.23Å; V613-L616 PolarHBondContact O-N 2.77Å; P614-L616 PolarHBondContact O-N 2.92Å; P614-L616 VanDerWaalsContact O-N 3.11Å; L616-N620 WeakPolarHBondContact O-CB 3.17Å; L616-N620 PolarHBondContact O-N 2.91Å; L616-N620 PolarHBondContact O-ND2 3.48Å
617	N	91	Very high	87.4	Confident	35 Å²	35	66.2 Å²	66.2	19%	0.187	36%	0.361	C	S	.	.	H	α-helix	trans	-66.4	-42.7	174.8	178.5	-111.9	0	0	0	111.4	I529 P614 A615 N620 A621	I529-N617 PolarHBondContact N-OD1 3.1Å; I529-N617 PolarHBondContact O-ND2 3.12Å; P614-N617 PolarHBondContact O-N 3.01Å; A615-N617 PolarHBondContact O-N 3.19Å; N617-N620 PolarHBondContact O-N 3.18Å; N617-A621 VanDerWaalsContact O-CB 3.27Å; N617-A621 WeakPolarHBondContact O-CB 3.26Å; N617-A621 PolarHBondContact O-N 2.65Å
618	L	92.6	Very high	88	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-43.2	178.9	-61.2	-172.3	0	0	0	111.7	I529 T566 L568 A602 A615 N620 A621 F622	I529-L618 HydrophobicContact CD1-CD2 3.64Å; I529-L618 HydrophobicContact CG1-CD2 4.5Å; T566-L618 HydrophobicContact CG2-CB 4.36Å; T566-L618 HydrophobicContact CG2-CD1 4.46Å; T566-L618 VanDerWaalsContact O-CD1 3.3Å; T566-L618 WeakPolarHBondContact O-CD1 3.2Å; L568-L618 HydrophobicContact CB-CB 4.18Å; L568-L618 HydrophobicContact CB-CD1 4.23Å; L568-L618 HydrophobicContact CB-CD2 4.14Å; L568-L618 HydrophobicContact CB-CG 4.42Å; L568-L618 HydrophobicContact CD2-CB 4.48Å; L568-L618 HydrophobicContact CD2-CD2 4.13Å; A602-L618 HydrophobicContact CB-CD1 3.61Å; A602-L618 HydrophobicContact CB-CG 4.01Å; A615-L618 PolarHBondContact O-N 3.19Å; A615-L618 VanDerWaalsContact O-N 3.07Å; L618-N620 PolarHBondContact O-N 2.8Å; L618-A621 PolarHBondContact O-N 3.26Å; L618-F622 WeakPolarHBondContact O-CB 3.31Å; L618-F622 PolarHBondContact O-N 2.84Å
619	Q	91.1	Very high	88.6	Confident	82 Å²	82	58.9 Å²	58.9	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-44.5	176.6	-67.6	174.3	-0.3	0	0	111.8	M559 A615 F622 R623	M559-Q619 HydrophobicContact SD-CB 4.42Å; M559-Q619 HydrophobicContact SD-CG 3.93Å; A615-Q619 PolarHBondContact O-N 3.29Å; A615-Q619 VanDerWaalsContact O-N 3.08Å; Q619-F622 PolarHBondContact O-N 2.82Å; Q619-R623 PolarHBondContact O-N 3.13Å; Q619-R623 VanDerWaalsContact O-N 3.15Å
620	N	91.5	Very high	89	Confident	58 Å²	58	62.5 Å²	62.5	31%	0.31	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-40.9	175.3	-81.7	-47.2	0	0	0	112.1	L616 N617 L618 R623 I624	L616-N620 WeakPolarHBondContact O-CB 3.17Å; L616-N620 PolarHBondContact O-N 2.91Å; L616-N620 PolarHBondContact O-ND2 3.48Å; N617-N620 PolarHBondContact O-N 3.18Å; L618-N620 PolarHBondContact O-N 2.8Å; N620-R623 PolarHBondContact O-N 2.86Å; N620-I624 WeakPolarHBondContact O-CB 3.32Å; N620-I624 VanDerWaalsContact O-CG1 3.26Å; N620-I624 WeakPolarHBondContact O-CG1 3.46Å; N620-I624 PolarHBondContact O-N 2.88Å
621	A	92.1	Very high	89.4	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-48.5	177	0	0	0	0	0	111.2	I529 I531 L568 N617 L618 R623 I624 I625	I529-A621 HydrophobicContact CB-CB 4.15Å; I529-A621 HydrophobicContact CG2-CB 3.82Å; I531-A621 HydrophobicContact CD1-CB 3.81Å; L568-A621 HydrophobicContact CD2-CB 4.02Å; N617-A621 VanDerWaalsContact O-CB 3.27Å; N617-A621 WeakPolarHBondContact O-CB 3.26Å; N617-A621 PolarHBondContact O-N 2.65Å; L618-A621 PolarHBondContact O-N 3.26Å; A621-R623 VanDerWaalsContact C-N 3.35Å; A621-R623 PolarHBondContact O-N 2.89Å; A621-I624 PolarHBondContact O-N 3Å; A621-I625 HydrophobicContact CB-CD1 4.43Å; A621-I625 WeakPolarHBondContact O-CB 3.35Å; A621-I625 WeakPolarHBondContact O-CD1 3.43Å; A621-I625 WeakPolarHBondContact O-CG1 3.2Å; A621-I625 PolarHBondContact O-N 3.24Å
622	F	93.5	Very high	89.8	Confident	39 Å²	39	59.5 Å²	59.5	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-53.4	-49.9	176.3	179.1	-102	0	0	0	112.3	I557 M559 L568 L618 Q619 K626	I557-F622 HydrophobicContact CB-CD2 4.39Å; I557-F622 HydrophobicContact CD1-CD2 3.61Å; I557-F622 HydrophobicContact CD1-CE2 4.01Å; I557-F622 HydrophobicContact CD1-CG 4.28Å; I557-F622 WeakPolarHBondContact CD1-O 3.16Å; I557-F622 HydrophobicContact CG1-CD2 4.01Å; I557-F622 HydrophobicContact CG1-CE2 4Å; M559-F622 HydrophobicContact CB-CD1 4.5Å; M559-F622 HydrophobicContact CB-CD2 3.77Å; M559-F622 HydrophobicContact CB-CE2 3.98Å; M559-F622 HydrophobicContact CB-CG 4.05Å; M559-F622 HydrophobicContact CB-CZ 4.4Å; M559-F622 HydrophobicContact CE-CD1 4.46Å; M559-F622 HydrophobicContact SD-CB 4.16Å; M559-F622 HydrophobicContact SD-CD1 4.39Å; M559-F622 HydrophobicContact SD-CG 4.26Å; L568-F622 HydrophobicContact CD1-CB 3.95Å; L568-F622 HydrophobicContact CD1-CD2 3.84Å; L568-F622 HydrophobicContact CD1-CG 4.38Å; L618-F622 WeakPolarHBondContact O-CB 3.31Å; L618-F622 PolarHBondContact O-N 2.84Å; Q619-F622 PolarHBondContact O-N 2.82Å; F622-K626 HydrophobicContact CE1-CD 4.14Å; F622-K626 HydrophobicContact CE2-CD 4.49Å; F622-K626 HydrophobicContact CZ-CD 3.97Å; F622-K626 PolarHBondContact O-N 3.07Å; F622-K626 VanDerWaalsContact O-N 3.07Å
623	R	93.9	Very high	89.8	Confident	150 Å²	150	60.5 Å²	60.5	57%	0.566	28%	0.275	S	S	*	.	H	α-helix	trans	-60.6	-49.1	179.5	-175.8	178.3	64.7	106.7	-2	112	Q619 N620 A621 K626 E627	Q619-R623 PolarHBondContact O-N 3.13Å; Q619-R623 VanDerWaalsContact O-N 3.15Å; N620-R623 PolarHBondContact O-N 2.86Å; A621-R623 VanDerWaalsContact C-N 3.35Å; A621-R623 PolarHBondContact O-N 2.89Å; R623-K626 PolarHBondContact O-N 3.34Å; R623-E627 PolarHBondContact O-N 2.79Å; R623-E627 VanDerWaalsContact O-N 3.1Å
624	I	93.1	Very high	89.6	Confident	34 Å²	34	61.4 Å²	61.4	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-69.2	-40.2	-176.6	-64.4	167.4	0	0	0	110.9	I531 K533 N620 A621 K626 E627 V628	I531-I624 HydrophobicContact CB-CG2 3.71Å; I531-I624 HydrophobicContact CD1-CB 4.33Å; I531-I624 HydrophobicContact CD1-CG2 4.45Å; I531-I624 HydrophobicContact CG1-CB 4.38Å; I531-I624 HydrophobicContact CG1-CG2 4.06Å; I531-I624 HydrophobicContact CG2-CG2 3.7Å; K533-I624 HydrophobicContact CG-CG2 4.3Å; N620-I624 WeakPolarHBondContact O-CB 3.32Å; N620-I624 VanDerWaalsContact O-CG1 3.26Å; N620-I624 WeakPolarHBondContact O-CG1 3.46Å; N620-I624 PolarHBondContact O-N 2.88Å; A621-I624 PolarHBondContact O-N 3Å; I624-K626 PolarHBondContact O-N 3.11Å; I624-E627 WeakPolarHBondContact O-CB 3.39Å; I624-E627 PolarHBondContact O-N 3.36Å; I624-V628 HydrophobicContact CG2-CG2 4.2Å; I624-V628 WeakPolarHBondContact O-CG2 3.44Å; I624-V628 PolarHBondContact O-N 2.8Å
625	I	93.2	Very high	89.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-44.8	177.1	-66.8	168.7	0	0	0	110	I531 V538 I551 I557 A621 E627 V628 Q629	I531-I625 HydrophobicContact CD1-CG1 4.32Å; I531-I625 HydrophobicContact CG1-CD1 4.46Å; I531-I625 HydrophobicContact CG1-CG1 3.79Å; V538-I625 HydrophobicContact CG1-CD1 3.91Å; V538-I625 HydrophobicContact CG1-CG1 4.43Å; V538-I625 HydrophobicContact CG2-CD1 4.04Å; V538-I625 HydrophobicContact CG2-CG1 3.79Å; I551-I625 HydrophobicContact CD1-CG2 3.83Å; I557-I625 HydrophobicContact CD1-CB 3.59Å; I557-I625 HydrophobicContact CD1-CG2 3.45Å; I557-I625 VanDerWaalsContact CD1-CG2 3.45Å; I557-I625 HydrophobicContact CG1-CG2 4.24Å; I557-I625 HydrophobicContact CG2-CG2 3.99Å; A621-I625 HydrophobicContact CB-CD1 4.43Å; A621-I625 WeakPolarHBondContact O-CB 3.35Å; A621-I625 WeakPolarHBondContact O-CD1 3.43Å; A621-I625 WeakPolarHBondContact O-CG1 3.2Å; A621-I625 PolarHBondContact O-N 3.24Å; I625-E627 VanDerWaalsContact C-N 3.34Å; I625-E627 PolarHBondContact O-N 3.24Å; I625-V628 PolarHBondContact O-N 2.88Å; I625-Q629 VanDerWaalsContact O-CB 3.24Å; I625-Q629 WeakPolarHBondContact O-CB 3.2Å; I625-Q629 PolarHBondContact O-N 2.98Å
626	K	92.2	Very high	88.7	Confident	109 Å²	109	67 Å²	67	47%	0.474	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-41.6	175.6	-81.7	-158.2	173	-178	0	112.6	I557 F622 R623 I624 Q629 K630	I557-K626 HydrophobicContact CD1-CG 3.72Å; I557-K626 HydrophobicContact CG1-CG 4.16Å; F622-K626 HydrophobicContact CE1-CD 4.14Å; F622-K626 HydrophobicContact CE2-CD 4.49Å; F622-K626 HydrophobicContact CZ-CD 3.97Å; F622-K626 PolarHBondContact O-N 3.07Å; F622-K626 VanDerWaalsContact O-N 3.07Å; R623-K626 PolarHBondContact O-N 3.34Å; I624-K626 PolarHBondContact O-N 3.11Å; K626-Q629 PolarHBondContact O-N 3.09Å; K626-K630 WeakPolarHBondContact O-CB 3.28Å; K626-K630 PolarHBondContact O-N 3.43Å
627	E	92.3	Very high	87.8	Confident	95 Å²	95	65.9 Å²	65.9	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-50.6	176.2	-172.6	-163.7	142.7	0	0	111.2	K533 R623 I624 I625 K630 R631	K533-E627 VanDerWaalsContact NZ-CD 3.29Å; K533-E627 IonicContact NZ-OE1 3.65Å; K533-E627 PolarHBondContact NZ-OE1 2.83Å; K533-E627 IonicContact NZ-OE2 2.68Å; K533-E627 PolarHBondContact NZ-OE2 3Å; R623-E627 PolarHBondContact O-N 2.79Å; R623-E627 VanDerWaalsContact O-N 3.1Å; I624-E627 WeakPolarHBondContact O-CB 3.39Å; I624-E627 PolarHBondContact O-N 3.36Å; I625-E627 VanDerWaalsContact C-N 3.34Å; I625-E627 PolarHBondContact O-N 3.24Å; E627-K630 PolarHBondContact O-N 2.97Å; E627-R631 PolarHBondContact O-N 3.3Å
628	V	91.2	Very high	86.9	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.055	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-40.9	179.5	177.8	0	0	0	0	111	I531 K533 E536 I551 I624 I625 K630 R631 Y632	I531-V628 HydrophobicContact CG2-CG2 4.25Å; K533-V628 HydrophobicContact CG-CG2 4.32Å; E536-V628 HydrophobicContact CB-CG1 4.01Å; E536-V628 HydrophobicContact CG-CG1 4.07Å; I551-V628 HydrophobicContact CB-CG1 4.28Å; I551-V628 HydrophobicContact CD1-CG1 4.33Å; I551-V628 HydrophobicContact CG1-CG1 4.05Å; I551-V628 HydrophobicContact CG2-CG1 4.43Å; I624-V628 HydrophobicContact CG2-CG2 4.2Å; I624-V628 WeakPolarHBondContact O-CG2 3.44Å; I624-V628 PolarHBondContact O-N 2.8Å; I625-V628 PolarHBondContact O-N 2.88Å; V628-K630 PolarHBondContact O-N 2.8Å; V628-R631 PolarHBondContact O-N 2.81Å; V628-Y632 WeakPolarHBondContact O-CB 3.39Å; V628-Y632 PolarHBondContact O-N 3.09Å
629	Q	88.7	Confident	85.8	Confident	21 Å²	21	71.9 Å²	71.9	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-41.3	178.7	-161.3	-175.8	24	0	0	111.7	I551 I554 K555 I625 K626 Y632 K633	I551-Q629 HydrophobicContact CD1-CB 4.15Å; I551-Q629 HydrophobicContact CG1-CB 4.1Å; I551-Q629 HydrophobicContact CG1-CG 4.32Å; I554-Q629 PolarHBondContact O-NE2 2.85Å; K555-Q629 PolarHBondContact O-NE2 2.75Å; I625-Q629 VanDerWaalsContact O-CB 3.24Å; I625-Q629 WeakPolarHBondContact O-CB 3.2Å; I625-Q629 PolarHBondContact O-N 2.98Å; K626-Q629 PolarHBondContact O-N 3.09Å; Q629-Y632 PolarHBondContact O-N 3.48Å; Q629-K633 HydrophobicContact CG-CD 4.37Å; Q629-K633 WeakPolarHBondContact O-CB 3.36Å; Q629-K633 VanDerWaalsContact O-CG 3.32Å; Q629-K633 WeakPolarHBondContact O-CG 3.4Å; Q629-K633 PolarHBondContact O-N 3.33Å
630	K	87.5	Confident	84.7	Confident	158 Å²	158	73.5 Å²	73.5	69%	0.687	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-45.1	174.6	-174.8	177.7	-178.7	178.2	0	110.9	K626 E627 V628 T634	K626-K630 WeakPolarHBondContact O-CB 3.28Å; K626-K630 PolarHBondContact O-N 3.43Å; E627-K630 PolarHBondContact O-N 2.97Å; V628-K630 PolarHBondContact O-N 2.8Å; K630-T634 WeakPolarHBondContact O-CB 3.39Å; K630-T634 PolarHBondContact O-N 3.02Å; K630-T634 PolarHBondContact O-OG1 2.84Å
631	R	87.1	Confident	83.5	Confident	169 Å²	169	74.2 Å²	74.2	64%	0.638	34%	0.335	S	S	*	.	H	α-helix	trans	-63.6	-44.5	178.2	-170.5	-179.8	-176.9	-171.9	0.5	112.1	E627 V628 T634 R635	E627-R631 PolarHBondContact O-N 3.3Å; V628-R631 PolarHBondContact O-N 2.81Å; R631-T634 PolarHBondContact O-N 2.79Å; R631-R635 PolarHBondContact O-N 2.82Å
632	Y	84.4	Confident	82	Confident	38 Å²	38	79.7 Å²	79.7	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-50.5	177.6	-176.9	-94	0	0	0	111.5	E536 H550 I551 A552 V628 Q629 T634 R635 E636	E536-Y632 WeakPolarHBondContact OE2-CD2 3.46Å; H550-Y632 AromaticContact CE1-CE2 3.68Å; I551-Y632 HydrophobicContact CG2-CD1 4.17Å; I551-Y632 HydrophobicContact CG2-CD2 3.7Å; I551-Y632 HydrophobicContact CG2-CE2 4.28Å; I551-Y632 HydrophobicContact CG2-CG 3.64Å; A552-Y632 HydrophobicContact CB-CE1 3.96Å; V628-Y632 WeakPolarHBondContact O-CB 3.39Å; V628-Y632 PolarHBondContact O-N 3.09Å; Q629-Y632 PolarHBondContact O-N 3.48Å; Y632-T634 VanDerWaalsContact C-N 3.29Å; Y632-T634 PolarHBondContact O-N 3.34Å; Y632-R635 PolarHBondContact O-N 2.78Å; Y632-R635 VanDerWaalsContact O-N 3.15Å; Y632-E636 WeakPolarHBondContact CE1-OE2 3.42Å; Y632-E636 WeakPolarHBondContact O-CB 3.19Å; Y632-E636 PolarHBondContact O-N 3.27Å
633	K	82.4	Confident	80.1	Confident	98 Å²	98	84.3 Å²	84.3	43%	0.426	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-39.1	177.7	-74.6	177.7	177.9	177.6	0	112.5	Q629 A637	Q629-K633 HydrophobicContact CG-CD 4.37Å; Q629-K633 WeakPolarHBondContact O-CB 3.36Å; Q629-K633 VanDerWaalsContact O-CG 3.32Å; Q629-K633 WeakPolarHBondContact O-CG 3.4Å; Q629-K633 PolarHBondContact O-N 3.33Å; K633-A637 VanDerWaalsContact O-CB 3.31Å; K633-A637 WeakPolarHBondContact O-CB 3.35Å; K633-A637 PolarHBondContact O-N 3.07Å
634	T	80.5	Confident	78.3	Confident	68 Å²	68	80.5 Å²	80.5	42%	0.417	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-45.4	176.5	-51.6	0	0	0	0	110.8	K630 R631 Y632 A637 E638	K630-T634 WeakPolarHBondContact O-CB 3.39Å; K630-T634 PolarHBondContact O-N 3.02Å; K630-T634 PolarHBondContact O-OG1 2.84Å; R631-T634 PolarHBondContact O-N 2.79Å; Y632-T634 VanDerWaalsContact C-N 3.29Å; Y632-T634 PolarHBondContact O-N 3.34Å; T634-A637 PolarHBondContact O-N 2.66Å; T634-E638 WeakPolarHBondContact O-CG 3.43Å; T634-E638 PolarHBondContact O-N 2.9Å
635	R	80.8	Confident	76.7	Confident	88 Å²	88	82.2 Å²	82.2	33%	0.332	40%	0.397	S	S	.	.	H	α-helix	trans	-66.8	-39.9	178.4	-170.3	178	66	-143.7	-8.9	112.5	E536 R631 Y632 A637 E638 E639	E536-R635 IonicContact OE1-CZ 3.61Å; E536-R635 IonicContact OE1-NH1 3.62Å; E536-R635 PolarHBondContact OE1-NH1 2.81Å; E536-R635 IonicContact OE1-NH2 3.44Å; E536-R635 PolarHBondContact OE1-NH2 2.93Å; E536-R635 IonicContact OE2-CZ 3.33Å; E536-R635 IonicContact OE2-NH1 2.78Å; E536-R635 IonicContact OE2-NH2 3.66Å; E536-R635 PolarHBondContact OE2-NH2 2.9Å; R631-R635 PolarHBondContact O-N 2.82Å; Y632-R635 PolarHBondContact O-N 2.78Å; Y632-R635 VanDerWaalsContact O-N 3.15Å; R635-A637 VanDerWaalsContact C-N 3.34Å; R635-E638 PolarHBondContact O-N 3.03Å; R635-E639 HydrophobicContact CG-CG 4.49Å; R635-E639 WeakPolarHBondContact O-CB 3.45Å; R635-E639 WeakPolarHBondContact O-CG 3.5Å; R635-E639 PolarHBondContact O-N 2.94Å
636	E	74.8	Confident	75.1	Confident	74 Å²	74	85.9 Å²	85.9	35%	0.346	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-39.9	176.5	-162.1	-170.2	178.4	0	0	110.8	Y632 E639 K640	Y632-E636 WeakPolarHBondContact CE1-OE2 3.42Å; Y632-E636 WeakPolarHBondContact O-CB 3.19Å; Y632-E636 PolarHBondContact O-N 3.27Å; E636-E639 PolarHBondContact O-N 2.75Å; E636-K640 VanDerWaalsContact O-CB 3.24Å; E636-K640 WeakPolarHBondContact O-CB 3.45Å; E636-K640 PolarHBondContact O-N 2.59Å
637	A	70.7	Confident	73.6	Confident	51 Å²	51	90.1 Å²	90.1	42%	0.421	44%	0.438	S	S	.	.	H	α-helix	trans	-63.2	-45.8	172.1	0	0	0	0	0	112	K633 T634 R635 K640 E641	K633-A637 VanDerWaalsContact O-CB 3.31Å; K633-A637 WeakPolarHBondContact O-CB 3.35Å; K633-A637 PolarHBondContact O-N 3.07Å; T634-A637 PolarHBondContact O-N 2.66Å; R635-A637 VanDerWaalsContact C-N 3.34Å; A637-K640 PolarHBondContact O-N 2.79Å; A637-E641 WeakPolarHBondContact O-CB 3.22Å; A637-E641 WeakPolarHBondContact O-CG 3.11Å; A637-E641 PolarHBondContact O-N 3.24Å
638	E	71.3	Confident	72.3	Confident	86 Å²	86	88.4 Å²	88.4	40%	0.402	43%	0.43	S	S	.	.	H	α-helix	trans	-65.3	-36.1	176.4	-73.9	178.1	-173.2	0	0	113	T634 R635 E641 K642	T634-E638 WeakPolarHBondContact O-CG 3.43Å; T634-E638 PolarHBondContact O-N 2.9Å; R635-E638 PolarHBondContact O-N 3.03Å; E638-E641 PolarHBondContact O-N 3.36Å; E638-K642 VanDerWaalsContact O-CG 3.3Å; E638-K642 WeakPolarHBondContact O-CG 3.41Å; E638-K642 PolarHBondContact O-N 3.08Å; E638-K642 VanDerWaalsContact O-N 3.09Å
639	E	69.6	Low	71.5	Confident	81 Å²	81	93.6 Å²	93.6	38%	0.379	46%	0.457	S	S	.	.	H	α-helix	trans	-68.3	-44.3	173.9	-78	-173.6	159.6	0	0	110.4	K507 R635 E636 E641 K642 E643	K507-E639 IonicContact NZ-OE1 3.64Å; R635-E639 HydrophobicContact CG-CG 4.49Å; R635-E639 WeakPolarHBondContact O-CB 3.45Å; R635-E639 WeakPolarHBondContact O-CG 3.5Å; R635-E639 PolarHBondContact O-N 2.94Å; E636-E639 PolarHBondContact O-N 2.75Å; E639-E641 PolarHBondContact O-N 2.84Å; E639-K642 CarbonylContact O-C 3.38Å; E639-K642 WeakPolarHBondContact O-CA 3.47Å; E639-K642 PolarHBondContact O-N 2.98Å; E639-E643 WeakPolarHBondContact O-CG 3.27Å; E639-E643 PolarHBondContact O-N 3.34Å
640	K	68.1	Low	71.1	Confident	116 Å²	116	97.2 Å²	97.2	50%	0.504	49%	0.485	S	S	.	.	H	α-helix	trans	-63.5	-28.3	174.6	-169.3	167.5	-176.6	161.6	0	112.9	E583 E636 A637	E583-K640 IonicContact OE1-NZ 3.58Å; E583-K640 PolarHBondContact OE1-NZ 2.93Å; E636-K640 VanDerWaalsContact O-CB 3.24Å; E636-K640 WeakPolarHBondContact O-CB 3.45Å; E636-K640 PolarHBondContact O-N 2.59Å; A637-K640 PolarHBondContact O-N 2.79Å
641	E	65.8	Low	71	Confident	74 Å²	74	90.4 Å²	90.4	35%	0.346	46%	0.456	S	S	.	.	H	α-helix	trans	-74.6	-29.2	171	-77.3	179.7	166	0	0	112.9	A637 E638 E639 K732	A637-E641 WeakPolarHBondContact O-CB 3.22Å; A637-E641 WeakPolarHBondContact O-CG 3.11Å; A637-E641 PolarHBondContact O-N 3.24Å; E638-E641 PolarHBondContact O-N 3.36Å; E639-E641 PolarHBondContact O-N 2.84Å; E641-K732 VanDerWaalsContact OE2-O 3.1Å
642	K	61.8	Low	70.9	Confident	115 Å²	115	85.9 Å²	85.9	50%	0.5	45%	0.447	S	S	.	.	H	α-helix	trans	-84.3	-24.9	176.1	-72.5	170.3	-173.7	168.2	0	113.7	E638 E639 G644 I645 M729	E638-K642 VanDerWaalsContact O-CG 3.3Å; E638-K642 WeakPolarHBondContact O-CG 3.41Å; E638-K642 PolarHBondContact O-N 3.08Å; E638-K642 VanDerWaalsContact O-N 3.09Å; E639-K642 CarbonylContact O-C 3.38Å; E639-K642 WeakPolarHBondContact O-CA 3.47Å; E639-K642 PolarHBondContact O-N 2.98Å; K642-G644 PolarHBondContact O-N 3.2Å; K642-I645 HydrophobicContact CB-CD1 4.28Å; K642-I645 HydrophobicContact CG-CD1 4.31Å; K642-I645 WeakPolarHBondContact O-CG1 3.23Å; K642-I645 PolarHBondContact O-N 3.35Å; K642-M729 HydrophobicContact CG-CE 4.31Å
643	E	53.5	Low	70.9	Confident	136 Å²	136	88.3 Å²	88.3	64%	0.636	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	124.9	174.6	-78	177.9	179.5	0	0	110.4	E639	E639-E643 WeakPolarHBondContact O-CG 3.27Å; E639-E643 PolarHBondContact O-N 3.34Å
644	G	56.1	Low	70.7	Confident	71 Å²	71	85.6 Å²	85.6	73%	0.732	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-5.3	-176.8	0	0	0	0	0	115.1	K642 V646	K642-G644 PolarHBondContact O-N 3.2Å; G644-V646 PolarHBondContact O-N 2.88Å
645	I	58.9	Low	70.4	Confident	70 Å²	70	90.1 Å²	90.1	36%	0.359	47%	0.473	S	S	.	.			trans	-69	104.9	170.8	-61.3	173	0	0	0	108.5	K642 K647 M729	K642-I645 HydrophobicContact CB-CD1 4.28Å; K642-I645 HydrophobicContact CG-CD1 4.31Å; K642-I645 WeakPolarHBondContact O-CG1 3.23Å; K642-I645 PolarHBondContact O-N 3.35Å; I645-K647 PolarHBondContact O-N 3.49Å; I645-M729 HydrophobicContact CD1-CE 4.01Å; I645-M729 HydrophobicContact CD1-CG 3.6Å; I645-M729 HydrophobicContact CD1-SD 3.79Å
646	V	60.5	Low	69.9	Low	76 Å²	76	90.9 Å²	90.9	46%	0.461	48%	0.483	S	S	.	.			trans	-66.1	119.2	166	-179.5	0	0	0	0	107.4	G644 Q648 N726	G644-V646 PolarHBondContact O-N 2.88Å; V646-Q648 PolarHBondContact O-N 2.96Å; V646-N726 HydrophobicContact CB-CB 4.28Å; V646-N726 HydrophobicContact CG2-CB 4.33Å; V646-N726 VanDerWaalsContact CG2-OD1 3.27Å; V646-N726 WeakPolarHBondContact CG2-OD1 3.08Å
647	K	59.7	Low	69.4	Low	198 Å²	198	99.7 Å²	99.7	86%	0.861	51%	0.513	S	S	*	.			trans	-61.5	112.9	178.9	-171.8	-177.9	179.6	-173.6	0	108.7	I645	I645-K647 PolarHBondContact O-N 3.49Å
648	Q	65.7	Low	69.7	Low	60 Å²	60	102.3 Å²	102.3	28%	0.28	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-83.2	156.5	178.6	-60.8	-162.4	-1.5	0	0	111.8	V646 L700 N703	V646-Q648 PolarHBondContact O-N 2.96Å; Q648-L700 HydrophobicContact CB-CD1 3.97Å; Q648-N703 PolarHBondContact NE2-ND2 3.24Å; Q648-N703 PolarHBondContact NE2-OD1 2.98Å
649	D	74.6	Confident	70.2	Confident	118 Å²	118	99.5 Å²	99.5	63%	0.631	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-67.1	165.8	171.7	-73.5	-34.5	0	0	0	111.9	L700	D649-L700 HydrophobicContact CB-CD1 3.93Å; D649-L700 WeakPolarHBondContact O-CD1 3.27Å
650	S	80.5	Confident	71.2	Confident	97 Å²	97	96.2 Å²	96.2	68%	0.678	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-81.3	141	171.9	57.7	0	0	0	0	111	V652 N685	S650-V652 PolarHBondContact O-N 2.92Å; S650-N685 PolarHBondContact O-ND2 3.31Å
651	L	85.2	Confident	72.2	Confident	15 Å²	15	94.9 Å²	94.9	8%	0.079	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-61.4	126.2	170.9	-173.4	78.2	0	0	0	111.3	I653 H683 G686 R688 D698 L700	L651-I653 PolarHBondContact O-N 3.21Å; L651-H683 HydrophobicContact CD1-CB 4.43Å; L651-G686 VanDerWaalsContact CD1-C 3.44Å; L651-R688 HydrophobicContact CD2-CB 3.72Å; L651-D698 HydrophobicContact CB-CB 4.16Å; L651-D698 HydrophobicContact CD2-CB 4.32Å; L651-L700 HydrophobicContact CB-CD2 4.29Å; L651-L700 HydrophobicContact CD1-CD2 4Å
652	V	84.9	Confident	73.5	Confident	74 Å²	74	92 Å²	92	45%	0.448	48%	0.483	S	S	.	.			trans	-88	103.6	174.9	-179.8	0	0	0	0	108.8	S650 N654 H683 V684 N685	S650-V652 PolarHBondContact O-N 2.92Å; V652-N654 PolarHBondContact O-N 3.34Å; V652-H683 WeakPolarHBondContact O-CB 3.45Å; V652-V684 HydrophobicContact CB-CB 4.19Å; V652-V684 HydrophobicContact CG1-CB 4.13Å; V652-V684 HydrophobicContact CG1-CG2 4.09Å; V652-V684 PolarHBondContact O-N 3.03Å; V652-N685 PolarHBondContact N-OD1 3.3Å
653	I	83.8	Confident	74.9	Confident	89 Å²	89	93.1 Å²	93.1	46%	0.456	49%	0.488	S	S	.	.			trans	-70.3	121.1	-178.1	-53.2	169.9	0	0	0	109.4	L651 L655	L651-I653 PolarHBondContact O-N 3.21Å; I653-L655 PolarHBondContact O-N 3.13Å
654	N	77.3	Confident	76.6	Confident	40 Å²	40	91.5 Å²	91.5	21%	0.214	48%	0.484	C	S	.	.			trans	-75	115.7	170.4	-167.8	-13.2	0	0	0	109.9	V652 N656 N659 H683 V684	V652-N654 PolarHBondContact O-N 3.34Å; N654-N656 PolarHBondContact O-N 2.97Å; N654-N656 PolarHBondContact OD1-N 2.84Å; N654-N659 PolarHBondContact ND2-OD1 3.17Å; N654-N659 PolarHBondContact O-ND2 3.36Å; N654-H683 PolarHBondContact N-ND1 3.3Å; N654-V684 HydrophobicContact CB-CG2 3.88Å
655	L	74.3	Confident	78.4	Confident	164 Å²	164	88.2 Å²	88.2	86%	0.859	45%	0.449	S	S	*	.			trans	-70.1	-13.8	-176.8	-73.5	157.6	0	0	0	113.4	I653	I653-L655 PolarHBondContact O-N 3.13Å
656	N	70.2	Confident	80	Confident	104 Å²	104	86.3 Å²	86.3	56%	0.556	44%	0.438	S	S	*	.			trans	-71.3	129.2	178.7	-72.1	-15.1	0	0	0	110.9	N654 S658 N659	N654-N656 PolarHBondContact O-N 2.97Å; N654-N656 PolarHBondContact OD1-N 2.84Å; N656-S658 PolarHBondContact O-N 3.49Å; N656-S658 VanDerWaalsContact O-N 3.13Å; N656-N659 PolarHBondContact O-ND2 3.03Å; N656-N659 VanDerWaalsContact O-ND2 3.1Å; N656-N659 PolarHBondContact O-OD1 3.28Å; N656-N659 VanDerWaalsContact O-OD1 3.12Å
657	R	65.9	Low	81.5	Confident	259 Å²	259	82.9 Å²	82.9	98%	0.977	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-3.8	-179.6	-70.7	-172.3	179.2	179.4	0.5	114.5
658	S	75.8	Confident	83	Confident	106 Å²	106	76 Å²	76	74%	0.741	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	14.7	-176	60.4	0	0	0	0	114.2	N656	N656-S658 PolarHBondContact O-N 3.49Å; N656-S658 VanDerWaalsContact O-N 3.13Å
659	N	82.7	Confident	84.1	Confident	26 Å²	26	73.8 Å²	73.8	14%	0.139	38%	0.376	C	S	.	.			trans	-62.5	145.2	-179.3	-60.8	-22.9	0	0	0	111.6	N654 N656 K661 A682	N654-N659 PolarHBondContact ND2-OD1 3.17Å; N654-N659 PolarHBondContact O-ND2 3.36Å; N656-N659 PolarHBondContact O-ND2 3.03Å; N656-N659 VanDerWaalsContact O-ND2 3.1Å; N656-N659 PolarHBondContact O-OD1 3.28Å; N656-N659 VanDerWaalsContact O-OD1 3.12Å; N659-K661 PolarHBondContact O-N 3.25Å; N659-A682 WeakPolarHBondContact CB-O 3.41Å
660	P	89.6	Confident	84.6	Confident	13 Å²	13	71.9 Å²	71.9	8%	0.084	37%	0.366	C	S	.	.			trans	-57.4	129.9	173.4	-21.9	34.4	0	0	0	110.3	A682 F783 K786 V787	P660-A682 HydrophobicContact CB-CB 4.19Å; P660-A682 HydrophobicContact CG-CB 4.35Å; P660-A682 PolarHBondContact O-N 3.03Å; P660-F783 HydrophobicContact CB-CD2 3.75Å; P660-F783 HydrophobicContact CB-CE2 3.85Å; P660-K786 HydrophobicContact CB-CB 4.03Å; P660-K786 HydrophobicContact CB-CD 4.44Å; P660-K786 HydrophobicContact CG-CB 3.61Å; P660-K786 HydrophobicContact CG-CD 4.37Å; P660-V787 HydrophobicContact CB-CG2 4.22Å
661	K	90.4	Very high	84.5	Confident	88 Å²	88	69.4 Å²	69.4	38%	0.383	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	131.7	-176.7	-178.9	171.6	-172.2	160.4	0	111.1	N659 K663 S679 L680 E681	N659-K661 PolarHBondContact O-N 3.25Å; K661-K663 HydrophobicContact CD-CG 4.47Å; K661-K663 HydrophobicContact CG-CG 4.36Å; K661-S679 WeakPolarHBondContact CE-OG 3.45Å; K661-S679 PolarHBondContact NZ-OG 2.9Å; K661-L680 CarbonylContact C-O 3.52Å; K661-L680 WeakPolarHBondContact CA-O 3.45Å; K661-E681 HydrophobicContact CB-CG 4.1Å; K661-E681 HydrophobicContact CD-CG 3.71Å; K661-E681 WeakPolarHBondContact CD-OE1 3.11Å; K661-E681 WeakPolarHBondContact CE-OE1 3.35Å; K661-E681 HydrophobicContact CG-CG 3.7Å; K661-E681 IonicContact NZ-OE1 2.8Å; K661-E681 PolarHBondContact NZ-OE1 3.46Å
662	L	92	Very high	84.1	Confident	13 Å²	13	70.3 Å²	70.3	7%	0.068	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.2	165.8	-71.8	170.2	0	0	0	109.6	L665 S679 L680 L720 F780 F783	L662-L665 HydrophobicContact CB-CD1 3.54Å; L662-L665 HydrophobicContact CB-CG 4.25Å; L662-L665 HydrophobicContact CD1-CD1 4.34Å; L662-S679 CarbonylContact O-C 3.54Å; L662-S679 WeakPolarHBondContact O-CA 3.2Å; L662-S679 VanDerWaalsContact O-CB 3.26Å; L662-S679 WeakPolarHBondContact O-CB 3.47Å; L662-L680 PolarHBondContact N-O 3.36Å; L662-L680 PolarHBondContact O-N 2.83Å; L662-L720 HydrophobicContact CD1-CD1 3.66Å; L662-F780 HydrophobicContact CD1-CD1 4.13Å; L662-F780 HydrophobicContact CD1-CD2 4.4Å; L662-F780 HydrophobicContact CD1-CE1 4.18Å; L662-F780 HydrophobicContact CD1-CE2 4.45Å; L662-F780 HydrophobicContact CD1-CG 4.26Å; L662-F780 HydrophobicContact CD1-CZ 4.36Å; L662-F780 HydrophobicContact CD2-CD2 4.19Å; L662-F780 HydrophobicContact CD2-CE2 4.42Å; L662-F783 HydrophobicContact CB-CD2 4.5Å; L662-F783 HydrophobicContact CD1-CB 3.84Å; L662-F783 HydrophobicContact CD1-CD1 3.49Å; L662-F783 VanDerWaalsContact CD1-CD1 3.49Å; L662-F783 HydrophobicContact CD1-CD2 4Å; L662-F783 HydrophobicContact CD1-CE1 3.96Å; L662-F783 HydrophobicContact CD1-CE2 4.41Å; L662-F783 HydrophobicContact CD1-CG 3.51Å; L662-F783 HydrophobicContact CD1-CZ 4.39Å; L662-F783 HydrophobicContact CD2-CB 3.94Å; L662-F783 HydrophobicContact CD2-CG 4.28Å; L662-F783 HydrophobicContact CG-CB 3.79Å; L662-F783 HydrophobicContact CG-CD1 4.07Å; L662-F783 HydrophobicContact CG-CD2 3.62Å; L662-F783 HydrophobicContact CG-CE2 4.15Å; L662-F783 HydrophobicContact CG-CG 3.56Å
663	K	90.9	Very high	83.6	Confident	138 Å²	138	76.4 Å²	76.4	60%	0.6	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	166.9	-179.5	-62.9	-177.3	-176.6	178.9	0	109.8	K661 L665	K661-K663 HydrophobicContact CD-CG 4.47Å; K661-K663 HydrophobicContact CG-CG 4.36Å; K663-L665 VanDerWaalsContact C-N 3.28Å; K663-L665 PolarHBondContact O-N 2.96Å
664	D	90.1	Very high	83.3	Confident	103 Å²	103	80.2 Å²	80.2	55%	0.551	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.6	40.3	172.8	-46.8	-41.8	0	0	0	112.5	G678 T742	D664-G678 PolarHBondContact N-O 3.35Å; D664-G678 VanDerWaalsContact N-O 3.13Å; D664-T742 PolarHBondContact O-OG1 3.07Å
665	L	93.2	Very high	83.7	Confident	1 Å²	1	85.5 Å²	85.5	1%	0.005	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.5	178.2	-61.4	176	0	0	0	110.6	L662 K663 Q677 G678 L680 F689 F740 F780	L662-L665 HydrophobicContact CB-CD1 3.54Å; L662-L665 HydrophobicContact CB-CG 4.25Å; L662-L665 HydrophobicContact CD1-CD1 4.34Å; K663-L665 VanDerWaalsContact C-N 3.28Å; K663-L665 PolarHBondContact O-N 2.96Å; L665-Q677 CarbonylContact O-C 3.42Å; L665-Q677 VanDerWaalsContact O-CA 3.31Å; L665-Q677 WeakPolarHBondContact O-CA 3.48Å; L665-G678 PolarHBondContact N-O 3.14Å; L665-G678 PolarHBondContact O-N 3.17Å; L665-L680 HydrophobicContact CD1-CB 3.72Å; L665-F689 HydrophobicContact CB-CE2 4.39Å; L665-F740 HydrophobicContact CD1-CB 4.19Å; L665-F780 HydrophobicContact CD2-CE1 4.42Å; L665-F780 HydrophobicContact CD2-CE2 4.13Å; L665-F780 HydrophobicContact CD2-CZ 3.51Å
666	Y	93.1	Very high	84.1	Confident	30 Å²	30	78.9 Å²	78.9	12%	0.118	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	153.2	164.1	-63.9	-74.7	0	0	0	110.2	R675 Q677 F740 Y741	Y666-R675 HydrophobicContact CD1-CB 4.28Å; Y666-R675 HydrophobicContact CE1-CB 4.41Å; Y666-R675 HydrophobicContact CE1-CG 4.25Å; Y666-Q677 HydrophobicContact CD1-CG 3.82Å; Y666-Q677 HydrophobicContact CE1-CB 4.47Å; Y666-Q677 HydrophobicContact CE1-CG 3.3Å; Y666-Q677 HydrophobicContact CE2-CG 4.2Å; Y666-Q677 HydrophobicContact CG-CG 4.45Å; Y666-Q677 PolarHBondContact OH-NE2 2.93Å; Y666-F740 VanDerWaalsContact O-CA 3.28Å; Y666-F740 WeakPolarHBondContact O-CA 3.28Å; Y666-Y741 HydrophobicContact CD2-CE2 4.25Å; Y666-Y741 HydrophobicContact CG-CE1 4.43Å; Y666-Y741 PolarHBondContact N-O 2.7Å; Y666-Y741 PolarHBondContact O-N 3.08Å
667	I	92.3	Very high	85	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.3	176.2	-171	176.3	0	0	0	110.3	N670 I671 F689 V697 F730 V738 Q739 F740	I667-N670 PolarHBondContact O-OD1 3.12Å; I667-I671 HydrophobicContact CD1-CD1 4.17Å; I667-I671 HydrophobicContact CD1-CG1 4.25Å; I667-I671 HydrophobicContact CG2-CD1 3.94Å; I667-I671 HydrophobicContact CG2-CG1 3.94Å; I667-F689 HydrophobicContact CB-CD1 4.49Å; I667-F689 HydrophobicContact CB-CE1 4.03Å; I667-F689 HydrophobicContact CB-CE2 4.49Å; I667-F689 HydrophobicContact CB-CZ 4.02Å; I667-F689 HydrophobicContact CD1-CD1 4.03Å; I667-F689 HydrophobicContact CD1-CE1 4.34Å; I667-F689 HydrophobicContact CD1-CG 4.44Å; I667-F689 HydrophobicContact CG2-CE1 3.8Å; I667-F689 HydrophobicContact CG2-CZ 4.04Å; I667-V697 HydrophobicContact CD1-CB 4.48Å; I667-V697 HydrophobicContact CD1-CG1 4.45Å; I667-V697 HydrophobicContact CD1-CG2 4.16Å; I667-F730 HydrophobicContact CD1-CE1 4.15Å; I667-V738 HydrophobicContact CD1-CG1 4.18Å; I667-V738 HydrophobicContact CG1-CG1 4.17Å; I667-Q739 CarbonylContact C-O 3.19Å; I667-Q739 VanDerWaalsContact CA-O 3.31Å; I667-Q739 WeakPolarHBondContact CA-O 3.47Å; I667-F740 HydrophobicContact CB-CD1 4.2Å; I667-F740 HydrophobicContact CB-CE1 4.12Å; I667-F740 HydrophobicContact CD1-CE1 3.68Å; I667-F740 HydrophobicContact CD1-CZ 4.15Å; I667-F740 HydrophobicContact CG1-CD1 4.12Å; I667-F740 HydrophobicContact CG1-CE1 3.7Å; I667-F740 HydrophobicContact CG1-CZ 4.38Å
668	R	90.9	Very high	86.3	Confident	54 Å²	54	65.3 Å²	65.3	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135	165.1	-74.8	165.8	-173.8	175.2	4.9	109.2	V738 Q739 Y741 W830	R668-V738 CarbonylContact O-C 3.53Å; R668-V738 WeakPolarHBondContact O-CA 3.39Å; R668-Q739 HydrophobicContact CB-CB 4.22Å; R668-Q739 PolarHBondContact N-O 3.37Å; R668-Q739 PolarHBondContact O-N 3.17Å; R668-Y741 HydrophobicContact CG-CD1 4.4Å; R668-Y741 HydrophobicContact CG-CE1 3.7Å; R668-Y741 VanDerWaalsContact CZ-CZ 3.43Å; R668-Y741 VanDerWaalsContact NE-CE1 3.27Å; R668-Y741 PolarHBondContact NE-OH 2.94Å; R668-Y741 VanDerWaalsContact NH2-CZ 3.28Å; R668-Y741 PolarHBondContact NH2-OH 3.29Å; R668-Y741 VanDerWaalsContact NH2-OH 3.12Å; R668-W830 HydrophobicContact CB-CD2 3.99Å; R668-W830 HydrophobicContact CB-CE3 3.54Å; R668-W830 HydrophobicContact CB-CH2 4.04Å; R668-W830 HydrophobicContact CB-CZ2 4.41Å; R668-W830 HydrophobicContact CB-CZ3 3.59Å; R668-W830 HydrophobicContact CG-CD2 4.39Å; R668-W830 HydrophobicContact CG-CE3 4.26Å
669	P	88.5	Confident	87.1	Confident	13 Å²	13	61.1 Å²	61.1	8%	0.084	29%	0.29	C	S	.	.	S	Bend	cis	-64.8	156.6	-3.8	32.9	-39.6	0	0	0	112.1	I671 F730 H735 D737 W830	P669-I671 PolarHBondContact O-N 2.98Å; P669-F730 HydrophobicContact CG-CB 4.47Å; P669-F730 HydrophobicContact CG-CD2 4.13Å; P669-F730 HydrophobicContact CG-CG 4.31Å; P669-H735 HydrophobicContact CG-CB 4.26Å; P669-D737 WeakPolarHBondContact CD-O 3.23Å; P669-W830 HydrophobicContact CB-CH2 4.46Å; P669-W830 HydrophobicContact CB-CZ2 4.01Å
670	N	85.9	Confident	87.7	Confident	78 Å²	78	59.9 Å²	59.9	42%	0.417	28%	0.283	S	S	.	.			trans	-67	131.5	178.3	-66.8	-34.6	0	0	0	110.4	I667 A672	I667-N670 PolarHBondContact O-OD1 3.12Å; N670-A672 WeakPolarHBondContact CB-O 3.39Å; N670-A672 PolarHBondContact O-N 2.91Å
671	I	78.5	Confident	87.8	Confident	45 Å²	45	61.5 Å²	61.5	23%	0.231	29%	0.289	C	S	.	.	S	Bend	trans	-64.2	-30.5	176.4	-58.8	168	0	0	0	111.2	I667 P669 F689 D695 V697	I667-I671 HydrophobicContact CD1-CD1 4.17Å; I667-I671 HydrophobicContact CD1-CG1 4.25Å; I667-I671 HydrophobicContact CG2-CD1 3.94Å; I667-I671 HydrophobicContact CG2-CG1 3.94Å; P669-I671 PolarHBondContact O-N 2.98Å; I671-F689 HydrophobicContact CD1-CD1 4.09Å; I671-F689 HydrophobicContact CD1-CE1 3.94Å; I671-D695 HydrophobicContact CD1-CB 4.43Å; I671-D695 HydrophobicContact CG2-CB 4.23Å; I671-V697 HydrophobicContact CD1-CG2 3.6Å; I671-V697 HydrophobicContact CG1-CG2 4.1Å
672	A	75	Confident	87.9	Confident	33 Å²	33	57.3 Å²	57.3	27%	0.273	27%	0.271	S	S	.	.	S	Bend	trans	-134	174.8	179.9	0	0	0	0	0	110.8	N670 K674 M676	N670-A672 WeakPolarHBondContact CB-O 3.39Å; N670-A672 PolarHBondContact O-N 2.91Å; A672-K674 PolarHBondContact O-N 3.13Å; A672-M676 HydrophobicContact CB-CE 3.83Å
673	Q	74.6	Confident	87.9	Confident	202 Å²	202	56.9 Å²	56.9	94%	0.944	27%	0.269	S	S	*	.	S	Bend	trans	-58.8	-28.2	178.9	-74.9	179.5	-33.9	0	0	114
674	K	78.4	Confident	87.7	Confident	170 Å²	170	54.1 Å²	54.1	74%	0.739	26%	0.264	S	S	*	.	S	Bend	trans	-101	142.8	176.5	-71.2	-172.8	176.9	-176.2	0	111	A672	A672-K674 PolarHBondContact O-N 3.13Å
675	R	85	Confident	87.6	Confident	151 Å²	151	51.3 Å²	51.3	57%	0.57	25%	0.249	S	C	*	.			trans	-60.4	134.3	168.4	64.9	179.8	177.4	176	-1.3	109.8	Y666 E743	Y666-R675 HydrophobicContact CD1-CB 4.28Å; Y666-R675 HydrophobicContact CE1-CB 4.41Å; Y666-R675 HydrophobicContact CE1-CG 4.25Å; R675-E743 IonicContact NH1-OE1 3.87Å
676	M	82.2	Confident	87.6	Confident	24 Å²	24	51.3 Å²	51.3	12%	0.118	25%	0.248	C	C	.	.			trans	-134.2	135.2	-179	-64.1	-171.9	-63.2	0	0	109.8	A672 R693	A672-M676 HydrophobicContact CB-CE 3.83Å; M676-R693 HydrophobicContact SD-CB 4.5Å; M676-R693 WeakPolarHBondContact SD-CD 3.48Å; M676-R693 HydrophobicContact SD-CG 3.96Å
677	Q	89.9	Confident	87.6	Confident	72 Å²	72	49.9 Å²	49.9	34%	0.336	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	156.2	171.2	-66.6	179.4	-18.8	0	0	110	L665 Y666 V692	L665-Q677 CarbonylContact O-C 3.42Å; L665-Q677 VanDerWaalsContact O-CA 3.31Å; L665-Q677 WeakPolarHBondContact O-CA 3.48Å; Y666-Q677 HydrophobicContact CD1-CG 3.82Å; Y666-Q677 HydrophobicContact CE1-CB 4.47Å; Y666-Q677 HydrophobicContact CE1-CG 3.3Å; Y666-Q677 HydrophobicContact CE2-CG 4.2Å; Y666-Q677 HydrophobicContact CG-CG 4.45Å; Y666-Q677 PolarHBondContact OH-NE2 2.93Å; Q677-V692 WeakPolarHBondContact O-CG1 3.29Å; Q677-V692 PolarHBondContact O-N 2.88Å
678	G	92.9	Very high	87.6	Confident	7 Å²	7	51.2 Å²	51.2	7%	0.072	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-168.8	175.5	0	0	0	0	0	111.4	D664 L665 T690	D664-G678 PolarHBondContact N-O 3.35Å; D664-G678 VanDerWaalsContact N-O 3.13Å; L665-G678 PolarHBondContact N-O 3.14Å; L665-G678 PolarHBondContact O-N 3.17Å; G678-T690 CarbonylContact C-O 3.36Å; G678-T690 WeakPolarHBondContact CA-O 3.31Å
679	S	93.7	Very high	87.8	Confident	17 Å²	17	48.7 Å²	48.7	12%	0.119	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.4	178.2	64.9	0	0	0	0	111.6	K661 L662 F689 T690	K661-S679 WeakPolarHBondContact CE-OG 3.45Å; K661-S679 PolarHBondContact NZ-OG 2.9Å; L662-S679 CarbonylContact O-C 3.54Å; L662-S679 WeakPolarHBondContact O-CA 3.2Å; L662-S679 VanDerWaalsContact O-CB 3.26Å; L662-S679 WeakPolarHBondContact O-CB 3.47Å; S679-F689 WeakPolarHBondContact O-CA 3.21Å; S679-T690 PolarHBondContact N-O 3.19Å; S679-T690 PolarHBondContact O-N 2.85Å
680	L	94.4	Very high	87.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.1	176.3	-172.1	69.6	0	0	0	109.4	K661 L662 L665 F687 F689 L720 F722 F740 F783	K661-L680 CarbonylContact C-O 3.52Å; K661-L680 WeakPolarHBondContact CA-O 3.45Å; L662-L680 PolarHBondContact N-O 3.36Å; L662-L680 PolarHBondContact O-N 2.83Å; L665-L680 HydrophobicContact CD1-CB 3.72Å; L680-F687 HydrophobicContact CD1-CB 3.83Å; L680-F687 HydrophobicContact CD1-CG 4.43Å; L680-F687 HydrophobicContact CG-CB 4.49Å; L680-F687 HydrophobicContact CG-CD1 4.45Å; L680-F689 HydrophobicContact CD1-CB 4.02Å; L680-L720 HydrophobicContact CD2-CD1 4.33Å; L680-F722 HydrophobicContact CD2-CE2 4.44Å; L680-F740 HydrophobicContact CD1-CD1 4.39Å; L680-F740 HydrophobicContact CD1-CD2 4.18Å; L680-F740 HydrophobicContact CD1-CE1 4.02Å; L680-F740 HydrophobicContact CD1-CE2 3.78Å; L680-F740 HydrophobicContact CD1-CG 4.46Å; L680-F740 HydrophobicContact CD1-CZ 3.69Å; L680-F740 HydrophobicContact CD2-CD2 3.89Å; L680-F740 HydrophobicContact CD2-CE2 4.24Å; L680-F740 HydrophobicContact CD2-CG 4.15Å; L680-F783 HydrophobicContact CD2-CE1 4.28Å; L680-F783 HydrophobicContact CD2-CZ 4.12Å; L680-F783 HydrophobicContact CG-CZ 4.37Å
681	E	92.9	Very high	88.2	Confident	47 Å²	47	46.2 Å²	46.2	22%	0.22	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.1	178.2	-67.9	-179	-169.4	0	0	110.3	K661 H683 F687 R688	K661-E681 HydrophobicContact CB-CG 4.1Å; K661-E681 HydrophobicContact CD-CG 3.71Å; K661-E681 WeakPolarHBondContact CD-OE1 3.11Å; K661-E681 WeakPolarHBondContact CE-OE1 3.35Å; K661-E681 HydrophobicContact CG-CG 3.7Å; K661-E681 IonicContact NZ-OE1 2.8Å; K661-E681 PolarHBondContact NZ-OE1 3.46Å; E681-H683 IonicContact OE2-CE1 3.81Å; E681-H683 IonicContact OE2-NE2 3.22Å; E681-F687 CarbonylContact O-C 3.58Å; E681-F687 VanDerWaalsContact O-CA 3.29Å; E681-F687 WeakPolarHBondContact O-CA 3.38Å; E681-R688 PolarHBondContact N-O 3.32Å; E681-R688 PolarHBondContact O-N 3.18Å
682	A	92.1	Very high	88.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.9	173.5	0	0	0	0	0	110.8	N659 P660 F687 F783 V787	N659-A682 WeakPolarHBondContact CB-O 3.41Å; P660-A682 HydrophobicContact CB-CB 4.19Å; P660-A682 HydrophobicContact CG-CB 4.35Å; P660-A682 PolarHBondContact O-N 3.03Å; A682-F687 HydrophobicContact CB-CD1 3.93Å; A682-F687 HydrophobicContact CB-CE1 3.87Å; A682-F783 HydrophobicContact CB-CE2 4.48Å; A682-F783 HydrophobicContact CB-CZ 4.4Å; A682-V787 HydrophobicContact CB-CG2 3.7Å
683	H	91.6	Very high	89.1	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.019	27%	0.267	C	S	.	.			trans	-121.2	-165.3	178.9	-62.8	-72.8	0	0	0	111	L651 V652 N654 E681 N685 G686 Y701 L790	L651-H683 HydrophobicContact CD1-CB 4.43Å; V652-H683 WeakPolarHBondContact O-CB 3.45Å; N654-H683 PolarHBondContact N-ND1 3.3Å; E681-H683 IonicContact OE2-CE1 3.81Å; E681-H683 IonicContact OE2-NE2 3.22Å; H683-N685 PolarHBondContact O-N 2.8Å; H683-G686 WeakPolarHBondContact CA-O 3.47Å; H683-G686 WeakPolarHBondContact CB-O 3.4Å; H683-G686 PolarHBondContact N-O 2.79Å; H683-Y701 PolarHBondContact O-OH 2.94Å; H683-L790 WeakPolarHBondContact O-CD2 3.44Å
684	V	86.4	Confident	89.6	Confident	81 Å²	81	48.8 Å²	48.8	49%	0.491	24%	0.242	S	C	.	.	S	Bend	trans	-65.3	-42.7	-170	-176.5	0	0	0	0	112.2	V652 N654	V652-V684 HydrophobicContact CB-CB 4.19Å; V652-V684 HydrophobicContact CG1-CB 4.13Å; V652-V684 HydrophobicContact CG1-CG2 4.09Å; V652-V684 PolarHBondContact O-N 3.03Å; N654-V684 HydrophobicContact CB-CG2 3.88Å
685	N	89.1	Confident	90	Very high	44 Å²	44	43.3 Å²	43.3	24%	0.235	22%	0.221	C	C	.	.	S	Bend	trans	-127.5	12.5	-174.5	70	-27.5	0	0	0	114	S650 V652 H683 L700 Y701	S650-N685 PolarHBondContact O-ND2 3.31Å; V652-N685 PolarHBondContact N-OD1 3.3Å; H683-N685 PolarHBondContact O-N 2.8Å; N685-L700 WeakPolarHBondContact O-CA 3.1Å; N685-Y701 PolarHBondContact O-N 3.17Å
686	G	92	Very high	90.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	179.1	-179.2	0	0	0	0	0	114.2	L651 H683 I699 Y701	L651-G686 VanDerWaalsContact CD1-C 3.44Å; H683-G686 WeakPolarHBondContact CA-O 3.47Å; H683-G686 WeakPolarHBondContact CB-O 3.4Å; H683-G686 PolarHBondContact N-O 2.79Å; G686-I699 CarbonylContact C-O 3.49Å; G686-I699 WeakPolarHBondContact CA-O 3.1Å; G686-Y701 VanDerWaalsContact CA-CE1 3.43Å; G686-Y701 VanDerWaalsContact N-CE2 3.26Å; G686-Y701 PolarHBondContact O-OH 2.89Å
687	F	94.1	Very high	90.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	149.9	172	-57.5	-74.3	0	0	0	111.8	L680 E681 A682 D698 I699 Y701 I704 F722 F783 V787 L795 F797	L680-F687 HydrophobicContact CD1-CB 3.83Å; L680-F687 HydrophobicContact CD1-CG 4.43Å; L680-F687 HydrophobicContact CG-CB 4.49Å; L680-F687 HydrophobicContact CG-CD1 4.45Å; E681-F687 CarbonylContact O-C 3.58Å; E681-F687 VanDerWaalsContact O-CA 3.29Å; E681-F687 WeakPolarHBondContact O-CA 3.38Å; A682-F687 HydrophobicContact CB-CD1 3.93Å; A682-F687 HydrophobicContact CB-CE1 3.87Å; F687-D698 WeakPolarHBondContact O-CA 3.33Å; F687-I699 PolarHBondContact N-O 2.84Å; F687-I699 PolarHBondContact O-N 2.92Å; F687-Y701 HydrophobicContact CD1-CE1 4.23Å; F687-Y701 HydrophobicContact CD2-CD1 4.14Å; F687-Y701 AromaticContact CD2-CE1 3.78Å; F687-Y701 HydrophobicContact CD2-CE1 3.78Å; F687-Y701 AromaticContact CE1-CE1 3.97Å; F687-Y701 HydrophobicContact CE1-CE1 3.97Å; F687-Y701 AromaticContact CE2-CD1 3.82Å; F687-Y701 HydrophobicContact CE2-CD1 3.82Å; F687-Y701 AromaticContact CE2-CE1 3.51Å; F687-Y701 HydrophobicContact CE2-CE1 3.51Å; F687-Y701 HydrophobicContact CG-CE1 4.14Å; F687-Y701 HydrophobicContact CZ-CD1 4.28Å; F687-Y701 AromaticContact CZ-CE1 3.61Å; F687-Y701 HydrophobicContact CZ-CE1 3.61Å; F687-I704 HydrophobicContact CD2-CD1 4.01Å; F687-I704 HydrophobicContact CE2-CD1 3.73Å; F687-F722 HydrophobicContact CD2-CE1 4.42Å; F687-F722 HydrophobicContact CD2-CE2 4.27Å; F687-F722 AromaticContact CD2-CZ 3.94Å; F687-F722 HydrophobicContact CD2-CZ 3.94Å; F687-F722 AromaticContact CE2-CE1 3.76Å; F687-F722 HydrophobicContact CE2-CE1 3.76Å; F687-F722 HydrophobicContact CE2-CE2 4.33Å; F687-F722 AromaticContact CE2-CZ 3.56Å; F687-F722 HydrophobicContact CE2-CZ 3.56Å; F687-F722 HydrophobicContact CZ-CE1 4.33Å; F687-F722 HydrophobicContact CZ-CZ 4.01Å; F687-F783 HydrophobicContact CD1-CZ 4.27Å; F687-F783 HydrophobicContact CE1-CE1 4.18Å; F687-F783 AromaticContact CE1-CZ 3.98Å; F687-F783 HydrophobicContact CE1-CZ 3.98Å; F687-V787 HydrophobicContact CE1-CG1 3.94Å; F687-V787 HydrophobicContact CE1-CG2 4Å; F687-V787 HydrophobicContact CZ-CG1 3.8Å; F687-L795 HydrophobicContact CE2-CD2 3.63Å; F687-L795 HydrophobicContact CZ-CD2 3.58Å; F687-F797 AromaticContact CZ-CZ 3.95Å; F687-F797 HydrophobicContact CZ-CZ 3.95Å
688	R	92.6	Very high	90.4	Very high	33 Å²	33	41.4 Å²	41.4	13%	0.125	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.7	165	175.9	164.9	-76.1	163.9	1.6	110	L651 E681 V697 D698	L651-R688 HydrophobicContact CD2-CB 3.72Å; E681-R688 PolarHBondContact N-O 3.32Å; E681-R688 PolarHBondContact O-N 3.18Å; R688-V697 CarbonylContact C-O 3.55Å; R688-V697 WeakPolarHBondContact CA-O 3.4Å; R688-D698 WeakPolarHBondContact CG-OD1 3.41Å; R688-D698 IonicContact CZ-OD1 3.04Å; R688-D698 IonicContact CZ-OD2 2.55Å; R688-D698 IonicContact NE-OD1 3.36Å; R688-D698 PolarHBondContact NE-OD1 2.78Å; R688-D698 IonicContact NE-OD2 2.68Å; R688-D698 IonicContact NH2-OD1 3.67Å; R688-D698 PolarHBondContact NH2-OD1 3.18Å; R688-D698 IonicContact NH2-OD2 3.33Å; R688-D698 PolarHBondContact NH2-OD2 3.17Å
689	F	93.2	Very high	90.4	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133	164.3	178.5	-98	0	0	0	109.8	L665 I667 I671 S679 L680 K696 V697 F740	L665-F689 HydrophobicContact CB-CE2 4.39Å; I667-F689 HydrophobicContact CB-CD1 4.49Å; I667-F689 HydrophobicContact CB-CE1 4.03Å; I667-F689 HydrophobicContact CB-CE2 4.49Å; I667-F689 HydrophobicContact CB-CZ 4.02Å; I667-F689 HydrophobicContact CD1-CD1 4.03Å; I667-F689 HydrophobicContact CD1-CE1 4.34Å; I667-F689 HydrophobicContact CD1-CG 4.44Å; I667-F689 HydrophobicContact CG2-CE1 3.8Å; I667-F689 HydrophobicContact CG2-CZ 4.04Å; I671-F689 HydrophobicContact CD1-CD1 4.09Å; I671-F689 HydrophobicContact CD1-CE1 3.94Å; S679-F689 WeakPolarHBondContact O-CA 3.21Å; L680-F689 HydrophobicContact CD1-CB 4.02Å; F689-K696 VanDerWaalsContact O-CA 3.31Å; F689-K696 WeakPolarHBondContact O-CA 3.13Å; F689-V697 HydrophobicContact CB-CB 4.26Å; F689-V697 PolarHBondContact N-O 3.12Å; F689-V697 PolarHBondContact O-N 2.82Å; F689-F740 HydrophobicContact CB-CE1 3.53Å; F689-F740 HydrophobicContact CB-CZ 3.91Å; F689-F740 HydrophobicContact CD1-CE1 4.31Å; F689-F740 AromaticContact CD2-CD1 3.65Å; F689-F740 HydrophobicContact CD2-CD1 3.65Å; F689-F740 AromaticContact CD2-CE1 3.4Å; F689-F740 HydrophobicContact CD2-CE1 3.4Å; F689-F740 VanDerWaalsContact CD2-CE1 3.4Å; F689-F740 HydrophobicContact CD2-CZ 4.5Å; F689-F740 HydrophobicContact CE2-CD1 4.05Å; F689-F740 HydrophobicContact CE2-CE1 4.13Å; F689-F740 HydrophobicContact CG-CD1 4.22Å; F689-F740 AromaticContact CG-CE1 3.5Å; F689-F740 HydrophobicContact CG-CE1 3.5Å; F689-F740 VanDerWaalsContact CG-CE1 3.5Å; F689-F740 HydrophobicContact CG-CZ 4.36Å
690	T	92.3	Very high	90.3	Very high	34 Å²	34	40.4 Å²	40.4	21%	0.209	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.7	174.3	-54.8	0	0	0	0	109.2	G678 S679 D695 K696	G678-T690 CarbonylContact C-O 3.36Å; G678-T690 WeakPolarHBondContact CA-O 3.31Å; S679-T690 PolarHBondContact N-O 3.19Å; S679-T690 PolarHBondContact O-N 2.85Å; T690-D695 WeakPolarHBondContact CA-O 3.3Å; T690-K696 HydrophobicContact CG2-CG 4.43Å
691	S	90.7	Very high	90.1	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.035	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	160.6	175.1	85.5	0	0	0	0	110.9	R693 G694 D695	S691-R693 PolarHBondContact O-N 2.77Å; S691-R693 VanDerWaalsContact O-N 3.13Å; S691-R693 PolarHBondContact OG-N 2.75Å; S691-R693 VanDerWaalsContact OG-N 3.14Å; S691-G694 PolarHBondContact O-N 2.85Å; S691-G694 PolarHBondContact OG-N 2.84Å; S691-D695 PolarHBondContact N-O 3.33Å; S691-D695 WeakPolarHBondContact OG-CB 3.47Å; S691-D695 PolarHBondContact OG-N 3.49Å; S691-D695 VanDerWaalsContact OG-N 3.07Å; S691-D695 PolarHBondContact OG-OD2 2.85Å
692	V	87.9	Confident	89.9	Confident	114 Å²	114	43.6 Å²	43.6	69%	0.691	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.8	170.8	-71.5	0	0	0	0	113.8	Q677	Q677-V692 WeakPolarHBondContact O-CG1 3.29Å; Q677-V692 PolarHBondContact O-N 2.88Å
693	R	85.6	Confident	89.8	Confident	178 Å²	178	43.8 Å²	43.8	67%	0.672	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.5	173.9	-75	177.2	67.9	-173.2	-6.1	113.6	M676 S691	M676-R693 HydrophobicContact SD-CB 4.5Å; M676-R693 WeakPolarHBondContact SD-CD 3.48Å; M676-R693 HydrophobicContact SD-CG 3.96Å; S691-R693 PolarHBondContact O-N 2.77Å; S691-R693 VanDerWaalsContact O-N 3.13Å; S691-R693 PolarHBondContact OG-N 2.75Å; S691-R693 VanDerWaalsContact OG-N 3.14Å
694	G	84.5	Confident	89.8	Confident	42 Å²	42	44 Å²	44	43%	0.433	23%	0.23	S	C	.	.			trans	91.8	7.8	-177.4	0	0	0	0	0	114.8	S691	S691-G694 PolarHBondContact O-N 2.85Å; S691-G694 PolarHBondContact OG-N 2.84Å
695	D	86.5	Confident	90.1	Very high	56 Å²	56	43 Å²	43	30%	0.299	22%	0.219	S	C	.	.			trans	-66.6	134.1	171.3	-51.5	-62.1	0	0	0	109.1	I671 T690 S691	I671-D695 HydrophobicContact CD1-CB 4.43Å; I671-D695 HydrophobicContact CG2-CB 4.23Å; T690-D695 WeakPolarHBondContact CA-O 3.3Å; S691-D695 PolarHBondContact N-O 3.33Å; S691-D695 WeakPolarHBondContact OG-CB 3.47Å; S691-D695 PolarHBondContact OG-N 3.49Å; S691-D695 VanDerWaalsContact OG-N 3.07Å; S691-D695 PolarHBondContact OG-OD2 2.85Å
696	K	87.2	Confident	90.3	Very high	136 Å²	136	41.5 Å²	41.5	59%	0.591	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	136	-176.5	-65.3	176.1	-175.5	176.6	0	110.7	F689 T690	F689-K696 VanDerWaalsContact O-CA 3.31Å; F689-K696 WeakPolarHBondContact O-CA 3.13Å; T690-K696 HydrophobicContact CG2-CG 4.43Å
697	V	88.8	Confident	90.4	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.2	173.8	173.3	0	0	0	0	107.3	I667 I671 R688 F689 I699 F730	I667-V697 HydrophobicContact CD1-CB 4.48Å; I667-V697 HydrophobicContact CD1-CG1 4.45Å; I667-V697 HydrophobicContact CD1-CG2 4.16Å; I671-V697 HydrophobicContact CD1-CG2 3.6Å; I671-V697 HydrophobicContact CG1-CG2 4.1Å; R688-V697 CarbonylContact C-O 3.55Å; R688-V697 WeakPolarHBondContact CA-O 3.4Å; F689-V697 HydrophobicContact CB-CB 4.26Å; F689-V697 PolarHBondContact N-O 3.12Å; F689-V697 PolarHBondContact O-N 2.82Å; V697-I699 HydrophobicContact CG1-CG1 4.16Å; V697-F730 HydrophobicContact CB-CE1 4.04Å; V697-F730 HydrophobicContact CG1-CD1 4.39Å; V697-F730 HydrophobicContact CG1-CE1 3.25Å; V697-F730 HydrophobicContact CG1-CZ 3.59Å; V697-F730 HydrophobicContact CG2-CD1 4.1Å; V697-F730 HydrophobicContact CG2-CE1 3.58Å
698	D	91.1	Very high	90.4	Very high	57 Å²	57	41.8 Å²	41.8	31%	0.305	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.2	178.4	-65.2	-15.3	0	0	0	109.4	L651 F687 R688	L651-D698 HydrophobicContact CB-CB 4.16Å; L651-D698 HydrophobicContact CD2-CB 4.32Å; F687-D698 WeakPolarHBondContact O-CA 3.33Å; R688-D698 WeakPolarHBondContact CG-OD1 3.41Å; R688-D698 IonicContact CZ-OD1 3.04Å; R688-D698 IonicContact CZ-OD2 2.55Å; R688-D698 IonicContact NE-OD1 3.36Å; R688-D698 PolarHBondContact NE-OD1 2.78Å; R688-D698 IonicContact NE-OD2 2.68Å; R688-D698 IonicContact NH2-OD1 3.67Å; R688-D698 PolarHBondContact NH2-OD1 3.18Å; R688-D698 IonicContact NH2-OD2 3.33Å; R688-D698 PolarHBondContact NH2-OD2 3.17Å
699	I	91.7	Very high	90.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.2	178.6	-54.8	173.5	0	0	0	107.6	G686 F687 V697 I704 F722 L724 I728 V738 F740	G686-I699 CarbonylContact C-O 3.49Å; G686-I699 WeakPolarHBondContact CA-O 3.1Å; F687-I699 PolarHBondContact N-O 2.84Å; F687-I699 PolarHBondContact O-N 2.92Å; V697-I699 HydrophobicContact CG1-CG1 4.16Å; I699-I704 HydrophobicContact CG2-CD1 4.01Å; I699-I704 HydrophobicContact CG2-CG1 3.86Å; I699-F722 HydrophobicContact CD1-CD2 4.22Å; I699-L724 HydrophobicContact CG2-CD2 3.81Å; I699-I728 HydrophobicContact CG1-CD1 4.38Å; I699-V738 HydrophobicContact CD1-CB 4.07Å; I699-V738 HydrophobicContact CD1-CG1 3.81Å; I699-V738 HydrophobicContact CD1-CG2 4.3Å; I699-F740 HydrophobicContact CD1-CE2 3.69Å; I699-F740 HydrophobicContact CD1-CZ 3.75Å
700	L	91.2	Very high	90.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.5	-179.4	-58.3	-178.6	0	0	0	111.9	Q648 D649 L651 N685 N702 N703 I704	Q648-L700 HydrophobicContact CB-CD1 3.97Å; D649-L700 HydrophobicContact CB-CD1 3.93Å; D649-L700 WeakPolarHBondContact O-CD1 3.27Å; L651-L700 HydrophobicContact CB-CD2 4.29Å; L651-L700 HydrophobicContact CD1-CD2 4Å; N685-L700 WeakPolarHBondContact O-CA 3.1Å; L700-N702 VanDerWaalsContact C-N 3.31Å; L700-N702 WeakPolarHBondContact CB-OD1 3.45Å; L700-N702 PolarHBondContact O-N 3.32Å; L700-N703 PolarHBondContact O-N 3.09Å; L700-I704 PolarHBondContact O-N 3.17Å
701	Y	90.9	Very high	90.3	Very high	19 Å²	19	40.2 Å²	40.2	8%	0.075	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.1	-40.6	179	-57.7	-35.2	0	0	0	112.3	H683 N685 G686 F687 N703 I704 L790 T791 L795	H683-Y701 PolarHBondContact O-OH 2.94Å; N685-Y701 PolarHBondContact O-N 3.17Å; G686-Y701 VanDerWaalsContact CA-CE1 3.43Å; G686-Y701 VanDerWaalsContact N-CE2 3.26Å; G686-Y701 PolarHBondContact O-OH 2.89Å; F687-Y701 HydrophobicContact CD1-CE1 4.23Å; F687-Y701 HydrophobicContact CD2-CD1 4.14Å; F687-Y701 AromaticContact CD2-CE1 3.78Å; F687-Y701 HydrophobicContact CD2-CE1 3.78Å; F687-Y701 AromaticContact CE1-CE1 3.97Å; F687-Y701 HydrophobicContact CE1-CE1 3.97Å; F687-Y701 AromaticContact CE2-CD1 3.82Å; F687-Y701 HydrophobicContact CE2-CD1 3.82Å; F687-Y701 AromaticContact CE2-CE1 3.51Å; F687-Y701 HydrophobicContact CE2-CE1 3.51Å; F687-Y701 HydrophobicContact CG-CE1 4.14Å; F687-Y701 HydrophobicContact CZ-CD1 4.28Å; F687-Y701 AromaticContact CZ-CE1 3.61Å; F687-Y701 HydrophobicContact CZ-CE1 3.61Å; Y701-N703 PolarHBondContact O-N 3.37Å; Y701-N703 VanDerWaalsContact O-N 3.17Å; Y701-I704 HydrophobicContact CD1-CD1 4.43Å; Y701-I704 PolarHBondContact O-N 3.41Å; Y701-I704 VanDerWaalsContact O-N 3.09Å; Y701-L790 HydrophobicContact CE2-CD2 4.46Å; Y701-T791 HydrophobicContact CD2-CG2 3.71Å; Y701-T791 HydrophobicContact CE1-CG2 4.35Å; Y701-T791 HydrophobicContact CE2-CG2 3.45Å; Y701-T791 VanDerWaalsContact CE2-CG2 3.45Å; Y701-T791 HydrophobicContact CG-CG2 4.3Å; Y701-L795 HydrophobicContact CD1-CD2 3.85Å; Y701-L795 HydrophobicContact CE1-CD2 4.14Å
702	N	88	Confident	89.9	Confident	94 Å²	94	40.1 Å²	40.1	50%	0.503	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.3	-25.3	-178.8	65	-5.2	0	0	0	113.9	L700 K725	L700-N702 VanDerWaalsContact C-N 3.31Å; L700-N702 WeakPolarHBondContact CB-OD1 3.45Å; L700-N702 PolarHBondContact O-N 3.32Å; N702-K725 PolarHBondContact O-NZ 2.88Å
703	N	90.5	Very high	89.6	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.027	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-93.1	-8	179.6	-167.2	60.4	0	0	0	113.1	Q648 L700 Y701 L724 K725 N726	Q648-N703 PolarHBondContact NE2-ND2 3.24Å; Q648-N703 PolarHBondContact NE2-OD1 2.98Å; L700-N703 PolarHBondContact O-N 3.09Å; Y701-N703 PolarHBondContact O-N 3.37Å; Y701-N703 VanDerWaalsContact O-N 3.17Å; N703-L724 CarbonylContact O-C 3.54Å; N703-L724 VanDerWaalsContact O-CA 3.29Å; N703-L724 WeakPolarHBondContact O-CA 3.3Å; N703-K725 PolarHBondContact O-N 2.85Å; N703-N726 PolarHBondContact ND2-O 3.26Å; N703-N726 WeakPolarHBondContact OD1-CB 3.43Å; N703-N726 PolarHBondContact OD1-N 2.93Å; N703-N726 PolarHBondContact OD1-ND2 2.9Å; N703-N726 VanDerWaalsContact OD1-ND2 3.17Å
704	I	92.1	Very high	89.3	Confident	9 Å²	9	32.8 Å²	32.8	5%	0.046	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.2	172.7	-60.8	169	0	0	0	107.6	F687 I699 L700 Y701 H706 A707 F722 L724 K725 L795	F687-I704 HydrophobicContact CD2-CD1 4.01Å; F687-I704 HydrophobicContact CE2-CD1 3.73Å; I699-I704 HydrophobicContact CG2-CD1 4.01Å; I699-I704 HydrophobicContact CG2-CG1 3.86Å; L700-I704 PolarHBondContact O-N 3.17Å; Y701-I704 HydrophobicContact CD1-CD1 4.43Å; Y701-I704 PolarHBondContact O-N 3.41Å; Y701-I704 VanDerWaalsContact O-N 3.09Å; I704-H706 WeakPolarHBondContact CG2-O 3.42Å; I704-A707 HydrophobicContact CG2-CB 4.11Å; I704-F722 HydrophobicContact CD1-CD1 3.81Å; I704-F722 HydrophobicContact CD1-CE1 4.09Å; I704-F722 HydrophobicContact CD1-CG 4.32Å; I704-F722 HydrophobicContact CG1-CD1 4.35Å; I704-F722 HydrophobicContact CG2-CD1 4.06Å; I704-L724 HydrophobicContact CG1-CD2 3.99Å; I704-K725 WeakPolarHBondContact O-CE 3.35Å; I704-L795 HydrophobicContact CB-CD1 4.05Å; I704-L795 HydrophobicContact CD1-CD1 3.99Å; I704-L795 HydrophobicContact CD1-CD2 4.33Å; I704-L795 HydrophobicContact CG2-CD1 3.9Å
705	K	91.4	Very high	89.1	Confident	59 Å²	59	32.5 Å²	32.5	26%	0.257	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-53.1	172.1	-165.1	-178.2	-177.3	-164.9	0	109.9	H723 K725 T836 E839	K705-H723 WeakPolarHBondContact CA-O 3.31Å; K705-H723 WeakPolarHBondContact CB-O 3.29Å; K705-H723 PolarHBondContact N-O 3.11Å; K705-K725 HydrophobicContact CB-CG 3.71Å; K705-K725 HydrophobicContact CG-CG 4.15Å; K705-T836 VanDerWaalsContact NZ-CB 3.33Å; K705-T836 PolarHBondContact NZ-OG1 2.89Å; K705-E839 IonicContact NZ-OE1 2.72Å; K705-E839 PolarHBondContact NZ-OE1 3.15Å; K705-E839 IonicContact NZ-OE2 3.93Å
706	H	93.1	Very high	88.9	Confident	13 Å²	13	34.6 Å²	34.6	6%	0.06	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.6	177.6	-58.2	-57.6	0	0	0	110.2	I704 L708 F722 H723 S822 T836	I704-H706 WeakPolarHBondContact CG2-O 3.42Å; H706-L708 HydrophobicContact CB-CD2 4.34Å; H706-F722 WeakPolarHBondContact O-CA 3.4Å; H706-H723 HydrophobicContact CB-CB 4.02Å; H706-H723 PolarHBondContact N-O 2.97Å; H706-H723 VanDerWaalsContact N-O 3.12Å; H706-H723 PolarHBondContact O-N 2.85Å; H706-S822 PolarHBondContact CE1-OG 2.93Å; H706-S822 PolarHBondContact ND1-OG 2.93Å; H706-T836 WeakPolarHBondContact NE2-CG2 3.4Å; H706-T836 PolarHBondContact NE2-OG1 2.97Å
707	A	94.6	Very high	89	Confident	4 Å²	4	29 Å²	29	3%	0.033	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.9	169.5	0	0	0	0	0	108.1	I704 F722 L795 F797 E798	I704-A707 HydrophobicContact CG2-CB 4.11Å; A707-F722 HydrophobicContact CB-CD1 3.88Å; A707-F722 HydrophobicContact CB-CE1 3.88Å; A707-L795 HydrophobicContact CB-CD1 4Å; A707-L795 HydrophobicContact CB-CG 4.38Å; A707-F797 HydrophobicContact CB-CD1 3.84Å; A707-F797 HydrophobicContact CB-CE1 3.98Å; A707-F797 HydrophobicContact CB-CG 4.25Å; A707-F797 CarbonylContact O-C 3.59Å; A707-F797 WeakPolarHBondContact O-CA 3.42Å; A707-E798 PolarHBondContact O-N 2.84Å
708	L	94.1	Very high	89.2	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134	-175.9	-50.8	174.8	0	0	0	109.9	H706 L720 H721 E798 T820 V825	H706-L708 HydrophobicContact CB-CD2 4.34Å; L708-L720 CarbonylContact O-C 3.42Å; L708-L720 WeakPolarHBondContact O-CA 3.45Å; L708-H721 HydrophobicContact CB-CB 4.17Å; L708-H721 HydrophobicContact CD1-CB 4.44Å; L708-H721 PolarHBondContact N-O 2.92Å; L708-H721 PolarHBondContact O-N 2.83Å; L708-E798 CarbonylContact C-O 3.54Å; L708-E798 WeakPolarHBondContact CA-O 3.4Å; L708-E798 HydrophobicContact CD2-CB 4Å; L708-T820 HydrophobicContact CD2-CG2 4.01Å; L708-V825 HydrophobicContact CD1-CB 3.92Å; L708-V825 HydrophobicContact CD1-CG1 3.69Å; L708-V825 HydrophobicContact CD1-CG2 4.05Å; L708-V825 HydrophobicContact CD2-CG1 4.46Å
709	F	94.5	Very high	89.3	Confident	16 Å²	16	25.8 Å²	25.8	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107.8	169.3	171.5	-127.3	0	0	0	110	P711 I718 L720 F780 I784 F797 E798 V799	F709-P711 HydrophobicContact CE1-CB 4.48Å; F709-P711 HydrophobicContact CZ-CB 4.37Å; F709-P711 WeakPolarHBondContact O-CD 3.49Å; F709-I718 HydrophobicContact CE2-CD1 3.85Å; F709-I718 HydrophobicContact CE2-CG1 3.82Å; F709-I718 HydrophobicContact CZ-CD1 4.14Å; F709-I718 HydrophobicContact CZ-CG1 4.49Å; F709-L720 HydrophobicContact CB-CD2 4.07Å; F709-L720 HydrophobicContact CD2-CD2 3.83Å; F709-L720 HydrophobicContact CG-CD2 4.33Å; F709-F780 HydrophobicContact CD2-CB 4.44Å; F709-F780 HydrophobicContact CD2-CD1 4.17Å; F709-F780 HydrophobicContact CE2-CB 3.55Å; F709-F780 AromaticContact CE2-CD1 3.77Å; F709-F780 HydrophobicContact CE2-CD1 3.77Å; F709-F780 HydrophobicContact CE2-CG 4.01Å; F709-F780 HydrophobicContact CZ-CB 3.87Å; F709-I784 HydrophobicContact CB-CD1 3.6Å; F709-I784 HydrophobicContact CD1-CD1 3.44Å; F709-I784 VanDerWaalsContact CD1-CD1 3.44Å; F709-I784 HydrophobicContact CD2-CD1 3.67Å; F709-I784 HydrophobicContact CE1-CD1 3.99Å; F709-I784 HydrophobicContact CE2-CD1 4.2Å; F709-I784 HydrophobicContact CG-CD1 3.26Å; F709-I784 HydrophobicContact CZ-CD1 4.34Å; F709-F797 HydrophobicContact CB-CB 4.46Å; F709-E798 PolarHBondContact N-O 2.94Å; F709-V799 HydrophobicContact CB-CG2 4.38Å; F709-V799 HydrophobicContact CD1-CG2 3.87Å
710	Q	91.9	Very high	89.5	Confident	5 Å²	5	25.7 Å²	25.7	2%	0.023	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.5	173.6	-172.2	70.8	27.1	0	0	109.5	I718 V719	Q710-I718 WeakPolarHBondContact O-CG1 3.33Å; Q710-V719 HydrophobicContact CB-CB 4.01Å; Q710-V719 HydrophobicContact CB-CG2 4.5Å; Q710-V719 PolarHBondContact N-O 2.65Å; Q710-V719 PolarHBondContact O-N 3.44Å
711	P	89.9	Confident	89.7	Confident	15 Å²	15	25.6 Å²	25.6	10%	0.097	14%	0.144	C	C	.	.			trans	-70.2	155.8	172.4	30.8	-34.7	0	0	0	111.2	F709 D713 V799	F709-P711 HydrophobicContact CE1-CB 4.48Å; F709-P711 HydrophobicContact CZ-CB 4.37Å; F709-P711 WeakPolarHBondContact O-CD 3.49Å; P711-D713 WeakPolarHBondContact CB-OD2 3.44Å; P711-D713 PolarHBondContact O-N 2.62Å; P711-V799 HydrophobicContact CG-CG1 4.38Å
712	C	83.5	Confident	89.9	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.014	14%	0.141	C	C	.	.			trans	-80.4	37.7	175.5	61	0	0	0	0	113.2	G714 I718 V744 R773	C712-G714 PolarHBondContact O-N 3.42Å; C712-I718 HydrophobicContact CB-CB 4.13Å; C712-V744 HydrophobicContact CB-CG2 3.77Å; C712-R773 PolarHBondContact O-NH1 2.9Å
713	D	81.6	Confident	90.3	Very high	75 Å²	75	21.6 Å²	21.6	40%	0.401	12%	0.123	S	C	.	.	S	Bend	trans	-88.1	104.9	177.9	-60.4	-42.7	0	0	0	108.6	P711 E715 K777 R802	P711-D713 WeakPolarHBondContact CB-OD2 3.44Å; P711-D713 PolarHBondContact O-N 2.62Å; D713-E715 PolarHBondContact O-N 3.07Å; D713-K777 IonicContact OD1-NZ 2.7Å; D713-K777 PolarHBondContact OD1-NZ 2.77Å; D713-K777 IonicContact OD2-NZ 3.47Å; D713-K777 PolarHBondContact OD2-NZ 2.92Å; D713-R802 PolarHBondContact O-NH1 2.85Å
714	G	77.2	Confident	90.4	Very high	63 Å²	63	21.4 Å²	21.4	65%	0.649	12%	0.122	S	C	*	.	S	Bend	trans	79.6	-5	-173	0	0	0	0	0	114.8	C712	C712-G714 PolarHBondContact O-N 3.42Å
715	E	81.8	Confident	90.2	Very high	36 Å²	36	26.9 Å²	26.9	17%	0.168	15%	0.146	C	C	.	.	S	Bend	trans	-112	154.8	179.5	-55.9	-55.4	151.1	0	0	111.7	D713 I717 R773 R802 T828	D713-E715 PolarHBondContact O-N 3.07Å; E715-I717 VanDerWaalsContact C-N 3.34Å; E715-R773 PolarHBondContact O-NH1 2.74Å; E715-R802 IonicContact OE1-CZ 2.73Å; E715-R802 IonicContact OE1-NH1 2.7Å; E715-R802 PolarHBondContact OE1-NH1 3.16Å; E715-R802 IonicContact OE1-NH2 2.83Å; E715-T828 HydrophobicContact CG-CG2 4.38Å; E715-T828 WeakPolarHBondContact OE2-CG2 3.31Å
716	M	82.6	Confident	89.8	Confident	101 Å²	101	26.8 Å²	26.8	50%	0.498	15%	0.148	S	C	.	.	S	Bend	trans	-84.6	-8.8	177.6	-68.3	-62.8	-172	0	0	113.7	V744	M716-V744 PolarHBondContact O-N 3.31Å
717	I	89.4	Confident	89.4	Confident	19 Å²	19	27.4 Å²	27.4	10%	0.097	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.8	-177.1	60.4	175	0	0	0	110.4	E715 V719 Y741 T742 E743 T828	E715-I717 VanDerWaalsContact C-N 3.34Å; I717-V719 HydrophobicContact CB-CG2 4.33Å; I717-V719 HydrophobicContact CD1-CG2 3.57Å; I717-V719 HydrophobicContact CG1-CG2 3.77Å; I717-Y741 HydrophobicContact CB-CD2 4.48Å; I717-Y741 HydrophobicContact CG2-CD2 4.19Å; I717-T742 WeakPolarHBondContact CA-O 3.31Å; I717-E743 HydrophobicContact CG2-CG 3.96Å; I717-T828 HydrophobicContact CD1-CG2 4.01Å; I717-T828 WeakPolarHBondContact CD1-O 3.38Å; I717-T828 HydrophobicContact CG1-CG2 4.11Å
718	I	92.4	Very high	88.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.1	167.2	-172.9	169.6	0	0	0	107.6	F709 Q710 C712 Y741 T742 V744 L776 F780	F709-I718 HydrophobicContact CE2-CD1 3.85Å; F709-I718 HydrophobicContact CE2-CG1 3.82Å; F709-I718 HydrophobicContact CZ-CD1 4.14Å; F709-I718 HydrophobicContact CZ-CG1 4.49Å; Q710-I718 WeakPolarHBondContact O-CG1 3.33Å; C712-I718 HydrophobicContact CB-CB 4.13Å; I718-Y741 WeakPolarHBondContact O-CA 3.43Å; I718-Y741 WeakPolarHBondContact O-CB 3.19Å; I718-T742 HydrophobicContact CG2-CG2 3.3Å; I718-T742 PolarHBondContact N-O 3.14Å; I718-T742 VanDerWaalsContact N-O 3.1Å; I718-T742 PolarHBondContact O-N 3.01Å; I718-T742 VanDerWaalsContact O-N 3.15Å; I718-V744 HydrophobicContact CG2-CG2 4.4Å; I718-L776 HydrophobicContact CD1-CB 4.37Å; I718-L776 HydrophobicContact CG2-CD1 4.49Å; I718-F780 HydrophobicContact CD1-CB 3.88Å; I718-F780 HydrophobicContact CD1-CD1 4.06Å; I718-F780 HydrophobicContact CD1-CD2 3.71Å; I718-F780 HydrophobicContact CD1-CE1 4.5Å; I718-F780 HydrophobicContact CD1-CE2 4.2Å; I718-F780 HydrophobicContact CD1-CG 3.62Å; I718-F780 HydrophobicContact CG1-CD1 4.01Å; I718-F780 HydrophobicContact CG1-CD2 4.33Å; I718-F780 HydrophobicContact CG1-CE1 4.13Å; I718-F780 HydrophobicContact CG1-CE2 4.45Å; I718-F780 HydrophobicContact CG1-CG 4.1Å; I718-F780 HydrophobicContact CG1-CZ 4.33Å; I718-F780 HydrophobicContact CG2-CD2 4.39Å; I718-F780 HydrophobicContact CG2-CE1 4.34Å; I718-F780 HydrophobicContact CG2-CE2 3.81Å; I718-F780 HydrophobicContact CG2-CZ 3.77Å
719	V	93.3	Very high	87.9	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.6	-167.5	-169.9	0	0	0	0	111	Q710 I717 H721 Q739	Q710-V719 HydrophobicContact CB-CB 4.01Å; Q710-V719 HydrophobicContact CB-CG2 4.5Å; Q710-V719 PolarHBondContact N-O 2.65Å; Q710-V719 PolarHBondContact O-N 3.44Å; I717-V719 HydrophobicContact CB-CG2 4.33Å; I717-V719 HydrophobicContact CD1-CG2 3.57Å; I717-V719 HydrophobicContact CG1-CG2 3.77Å; V719-H721 HydrophobicContact CG1-CB 4.26Å; V719-Q739 HydrophobicContact CG1-CB 4.16Å; V719-Q739 HydrophobicContact CG1-CG 4.1Å
720	L	95	Very high	86.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.4	157.4	-70.1	170.2	0	0	0	107.6	L662 L680 L708 F709 Q739 F740 F780 F783 I784 F797	L662-L720 HydrophobicContact CD1-CD1 3.66Å; L680-L720 HydrophobicContact CD2-CD1 4.33Å; L708-L720 CarbonylContact O-C 3.42Å; L708-L720 WeakPolarHBondContact O-CA 3.45Å; F709-L720 HydrophobicContact CB-CD2 4.07Å; F709-L720 HydrophobicContact CD2-CD2 3.83Å; F709-L720 HydrophobicContact CG-CD2 4.33Å; L720-Q739 CarbonylContact O-C 3.55Å; L720-Q739 WeakPolarHBondContact O-CA 3.43Å; L720-F740 HydrophobicContact CB-CB 4.44Å; L720-F740 PolarHBondContact N-O 3.39Å; L720-F740 PolarHBondContact O-N 2.73Å; L720-F780 HydrophobicContact CD1-CD1 3.84Å; L720-F780 HydrophobicContact CD1-CE1 3.82Å; L720-F780 HydrophobicContact CD2-CD1 4.21Å; L720-F780 HydrophobicContact CG-CD1 3.71Å; L720-F780 HydrophobicContact CG-CE1 3.7Å; L720-F783 HydrophobicContact CD1-CD1 4.21Å; L720-F783 HydrophobicContact CD1-CE1 4.14Å; L720-I784 HydrophobicContact CD2-CD1 4.13Å; L720-I784 HydrophobicContact CD2-CG1 4.29Å; L720-F797 HydrophobicContact CD2-CD1 3.97Å; L720-F797 HydrophobicContact CD2-CE1 3.8Å
721	H	95.7	Very high	85.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	179.4	172.1	94.2	0	0	0	110	L708 V719 D737 Q739 A827 V834	L708-H721 HydrophobicContact CB-CB 4.17Å; L708-H721 HydrophobicContact CD1-CB 4.44Å; L708-H721 PolarHBondContact N-O 2.92Å; L708-H721 PolarHBondContact O-N 2.83Å; V719-H721 HydrophobicContact CG1-CB 4.26Å; H721-D737 IonicContact CE1-OD1 2.77Å; H721-D737 PolarHBondContact CE1-OD1 3.32Å; H721-D737 IonicContact NE2-OD1 3.07Å; H721-D737 PolarHBondContact NE2-OD1 2.76Å; H721-Q739 HydrophobicContact CB-CG 3.8Å; H721-Q739 WeakPolarHBondContact ND1-CG 3.47Å; H721-Q739 PolarHBondContact ND1-NE2 2.89Å; H721-Q739 VanDerWaalsContact ND1-NE2 3.18Å; H721-A827 HydrophobicContact CB-CB 4.08Å; H721-V834 WeakPolarHBondContact NE2-CG2 3.17Å
722	F	95.8	Very high	84.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.5	174.9	-59	-63.6	0	0	0	109.2	L680 F687 I699 I704 H706 A707 L724 V738 F740 F797	L680-F722 HydrophobicContact CD2-CE2 4.44Å; F687-F722 HydrophobicContact CD2-CE1 4.42Å; F687-F722 HydrophobicContact CD2-CE2 4.27Å; F687-F722 AromaticContact CD2-CZ 3.94Å; F687-F722 HydrophobicContact CD2-CZ 3.94Å; F687-F722 AromaticContact CE2-CE1 3.76Å; F687-F722 HydrophobicContact CE2-CE1 3.76Å; F687-F722 HydrophobicContact CE2-CE2 4.33Å; F687-F722 AromaticContact CE2-CZ 3.56Å; F687-F722 HydrophobicContact CE2-CZ 3.56Å; F687-F722 HydrophobicContact CZ-CE1 4.33Å; F687-F722 HydrophobicContact CZ-CZ 4.01Å; I699-F722 HydrophobicContact CD1-CD2 4.22Å; I704-F722 HydrophobicContact CD1-CD1 3.81Å; I704-F722 HydrophobicContact CD1-CE1 4.09Å; I704-F722 HydrophobicContact CD1-CG 4.32Å; I704-F722 HydrophobicContact CG1-CD1 4.35Å; I704-F722 HydrophobicContact CG2-CD1 4.06Å; H706-F722 WeakPolarHBondContact O-CA 3.4Å; A707-F722 HydrophobicContact CB-CD1 3.88Å; A707-F722 HydrophobicContact CB-CE1 3.88Å; F722-L724 HydrophobicContact CB-CD2 4.41Å; F722-V738 PolarHBondContact N-O 3.46Å; F722-V738 PolarHBondContact O-N 3.32Å; F722-F740 AromaticContact CD2-CD2 3.89Å; F722-F740 HydrophobicContact CD2-CD2 3.89Å; F722-F740 AromaticContact CD2-CE2 3.68Å; F722-F740 HydrophobicContact CD2-CE2 3.68Å; F722-F740 AromaticContact CE2-CD2 3.6Å; F722-F740 HydrophobicContact CE2-CD2 3.6Å; F722-F740 AromaticContact CE2-CE2 3.58Å; F722-F740 HydrophobicContact CE2-CE2 3.58Å; F722-F797 AromaticContact CE1-CE1 3.66Å; F722-F797 HydrophobicContact CE1-CE1 3.66Å; F722-F797 HydrophobicContact CE1-CZ 4.03Å; F722-F797 AromaticContact CZ-CE1 3.99Å; F722-F797 HydrophobicContact CZ-CE1 3.99Å; F722-F797 HydrophobicContact CZ-CZ 4.25Å
723	H	95.1	Very high	84.1	Confident	29 Å²	29	49.4 Å²	49.4	13%	0.134	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.5	168.4	-169.2	73.3	0	0	0	108.5	K705 H706 D737 V834	K705-H723 WeakPolarHBondContact CA-O 3.31Å; K705-H723 WeakPolarHBondContact CB-O 3.29Å; K705-H723 PolarHBondContact N-O 3.11Å; H706-H723 HydrophobicContact CB-CB 4.02Å; H706-H723 PolarHBondContact N-O 2.97Å; H706-H723 VanDerWaalsContact N-O 3.12Å; H706-H723 PolarHBondContact O-N 2.85Å; H723-D737 IonicContact CE1-OD1 2.85Å; H723-D737 IonicContact CG-OD1 3.83Å; H723-D737 IonicContact ND1-OD1 2.68Å; H723-D737 PolarHBondContact ND1-OD1 3.41Å; H723-D737 IonicContact ND1-OD2 3.37Å; H723-V834 HydrophobicContact CB-CG1 4.19Å
724	L	92.8	Very high	84.1	Confident	2 Å²	2	53 Å²	53	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144.1	-170.8	-57.1	178.5	0	0	0	112	I699 N703 I704 F722 N726 I728 T736 V738	I699-L724 HydrophobicContact CG2-CD2 3.81Å; N703-L724 CarbonylContact O-C 3.54Å; N703-L724 VanDerWaalsContact O-CA 3.29Å; N703-L724 WeakPolarHBondContact O-CA 3.3Å; I704-L724 HydrophobicContact CG1-CD2 3.99Å; F722-L724 HydrophobicContact CB-CD2 4.41Å; L724-N726 WeakPolarHBondContact CB-O 3.47Å; L724-I728 HydrophobicContact CD1-CB 4.33Å; L724-I728 HydrophobicContact CD1-CD1 3.59Å; L724-I728 HydrophobicContact CD1-CG1 3.57Å; L724-I728 HydrophobicContact CD1-CG2 3.96Å; L724-T736 WeakPolarHBondContact CB-O 3.48Å; L724-T736 VanDerWaalsContact CG-O 3.23Å; L724-T736 WeakPolarHBondContact CG-O 3.38Å; L724-T736 PolarHBondContact N-O 3.24Å; L724-V738 HydrophobicContact CD1-CG2 4.09Å
725	K	88	Confident	84.5	Confident	123 Å²	123	52 Å²	52	54%	0.535	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-47.7	173.6	-62.3	177.3	-174.5	164.8	0	111.2	N702 N703 I704 K705	N702-K725 PolarHBondContact O-NZ 2.88Å; N703-K725 PolarHBondContact O-N 2.85Å; I704-K725 WeakPolarHBondContact O-CE 3.35Å; K705-K725 HydrophobicContact CB-CG 3.71Å; K705-K725 HydrophobicContact CG-CG 4.15Å
726	N	84.6	Confident	84.9	Confident	57 Å²	57	53 Å²	53	31%	0.305	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136	175	-55.6	-75.5	0	0	0	109.8	V646 N703 L724	V646-N726 HydrophobicContact CB-CB 4.28Å; V646-N726 HydrophobicContact CG2-CB 4.33Å; V646-N726 VanDerWaalsContact CG2-OD1 3.27Å; V646-N726 WeakPolarHBondContact CG2-OD1 3.08Å; N703-N726 PolarHBondContact ND2-O 3.26Å; N703-N726 WeakPolarHBondContact OD1-CB 3.43Å; N703-N726 PolarHBondContact OD1-N 2.93Å; N703-N726 PolarHBondContact OD1-ND2 2.9Å; N703-N726 VanDerWaalsContact OD1-ND2 3.17Å; L724-N726 WeakPolarHBondContact CB-O 3.47Å
727	A	83.5	Confident	85.4	Confident	27 Å²	27	49.3 Å²	49.3	22%	0.223	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	139.4	177	0	0	0	0	0	111.2	R734 H735 T736	A727-R734 HydrophobicContact CB-CB 4.05Å; A727-H735 WeakPolarHBondContact CA-O 3.44Å; A727-T736 HydrophobicContact CB-CG2 3.91Å
728	I	82.9	Confident	85.6	Confident	23 Å²	23	48.4 Å²	48.4	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	153.7	172.3	61.7	176.5	0	0	0	109.6	I699 L724 F730 H735 V738	I699-I728 HydrophobicContact CG1-CD1 4.38Å; L724-I728 HydrophobicContact CD1-CB 4.33Å; L724-I728 HydrophobicContact CD1-CD1 3.59Å; L724-I728 HydrophobicContact CD1-CG1 3.57Å; L724-I728 HydrophobicContact CD1-CG2 3.96Å; I728-F730 HydrophobicContact CD1-CD2 4.35Å; I728-F730 HydrophobicContact CD1-CE2 3.36Å; I728-F730 HydrophobicContact CD1-CZ 3.46Å; I728-F730 VanDerWaalsContact CD1-CZ 3.46Å; I728-F730 HydrophobicContact CG1-CD2 4.02Å; I728-F730 HydrophobicContact CG1-CE2 3.39Å; I728-F730 HydrophobicContact CG1-CZ 4.03Å; I728-H735 PolarHBondContact N-O 2.77Å; I728-H735 PolarHBondContact O-N 2.83Å; I728-V738 HydrophobicContact CD1-CG2 4.07Å
729	M	75	Confident	85.7	Confident	87 Å²	87	48.4 Å²	48.4	43%	0.429	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.2	178.6	-74.2	-144.2	-58.5	0	0	111.8	K642 I645	K642-M729 HydrophobicContact CG-CE 4.31Å; I645-M729 HydrophobicContact CD1-CE 4.01Å; I645-M729 HydrophobicContact CD1-CG 3.6Å; I645-M729 HydrophobicContact CD1-SD 3.79Å
730	F	71.1	Confident	85.7	Confident	17 Å²	17	48.4 Å²	48.4	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.2	165.9	-67.5	-87.3	0	0	0	109.1	I667 P669 V697 I728 K732 K733 H735 V738	I667-F730 HydrophobicContact CD1-CE1 4.15Å; P669-F730 HydrophobicContact CG-CB 4.47Å; P669-F730 HydrophobicContact CG-CD2 4.13Å; P669-F730 HydrophobicContact CG-CG 4.31Å; V697-F730 HydrophobicContact CB-CE1 4.04Å; V697-F730 HydrophobicContact CG1-CD1 4.39Å; V697-F730 HydrophobicContact CG1-CE1 3.25Å; V697-F730 HydrophobicContact CG1-CZ 3.59Å; V697-F730 HydrophobicContact CG2-CD1 4.1Å; V697-F730 HydrophobicContact CG2-CE1 3.58Å; I728-F730 HydrophobicContact CD1-CD2 4.35Å; I728-F730 HydrophobicContact CD1-CE2 3.36Å; I728-F730 HydrophobicContact CD1-CZ 3.46Å; I728-F730 VanDerWaalsContact CD1-CZ 3.46Å; I728-F730 HydrophobicContact CG1-CD2 4.02Å; I728-F730 HydrophobicContact CG1-CE2 3.39Å; I728-F730 HydrophobicContact CG1-CZ 4.03Å; F730-K732 PolarHBondContact O-N 2.8Å; F730-K733 PolarHBondContact N-O 2.8Å; F730-K733 PolarHBondContact O-N 2.93Å; F730-K733 VanDerWaalsContact O-N 3.1Å; F730-H735 HydrophobicContact CD2-CB 3.91Å; F730-H735 AromaticContact CD2-CD2 3.88Å; F730-H735 HydrophobicContact CE2-CB 4.27Å; F730-V738 HydrophobicContact CE2-CG2 3.54Å; F730-V738 HydrophobicContact CZ-CG1 4.06Å; F730-V738 HydrophobicContact CZ-CG2 3.61Å
731	G	67.4	Low	85.7	Confident	69 Å²	69	48.7 Å²	48.7	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	-107.3	-177.2	0	0	0	0	0	111.6
732	K	69.3	Low	85.5	Confident	170 Å²	170	49.6 Å²	49.6	74%	0.739	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	1.3	179.9	-62.6	-173.3	179.8	-175.1	0	114.1	E641 F730	E641-K732 VanDerWaalsContact OE2-O 3.1Å; F730-K732 PolarHBondContact O-N 2.8Å
733	K	72.7	Confident	85	Confident	139 Å²	139	53 Å²	53	60%	0.604	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.8	-176.7	-69.7	-174.3	179.8	-176.9	0	110.9	F730 H735	F730-K733 PolarHBondContact N-O 2.8Å; F730-K733 PolarHBondContact O-N 2.93Å; F730-K733 VanDerWaalsContact O-N 3.1Å; K733-H735 WeakPolarHBondContact CB-NE2 3.1Å; K733-H735 PolarHBondContact O-CD2 2.94Å
734	R	79.7	Confident	84.2	Confident	149 Å²	149	51.8 Å²	51.8	56%	0.562	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.1	171.4	67.5	-173.4	-179	-156.1	1.9	109.9	A727	A727-R734 HydrophobicContact CB-CB 4.05Å
735	H	86.1	Confident	83.1	Confident	44 Å²	44	52.9 Å²	52.9	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.8	178.4	-63.3	-88.2	0	0	0	110.4	P669 A727 I728 F730 K733	P669-H735 HydrophobicContact CG-CB 4.26Å; A727-H735 WeakPolarHBondContact CA-O 3.44Å; I728-H735 PolarHBondContact N-O 2.77Å; I728-H735 PolarHBondContact O-N 2.83Å; F730-H735 HydrophobicContact CD2-CB 3.91Å; F730-H735 AromaticContact CD2-CD2 3.88Å; F730-H735 HydrophobicContact CE2-CB 4.27Å; K733-H735 WeakPolarHBondContact CB-NE2 3.1Å; K733-H735 PolarHBondContact O-CD2 2.94Å
736	T	90.5	Very high	81.7	Confident	55 Å²	55	54.9 Å²	54.9	34%	0.337	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-23.2	170.7	40.9	0	0	0	0	111.8	L724 A727	L724-T736 WeakPolarHBondContact CB-O 3.48Å; L724-T736 VanDerWaalsContact CG-O 3.23Å; L724-T736 WeakPolarHBondContact CG-O 3.38Å; L724-T736 PolarHBondContact N-O 3.24Å; A727-T736 HydrophobicContact CB-CG2 3.91Å
737	D	93.7	Very high	80.4	Confident	25 Å²	25	59.7 Å²	59.7	13%	0.134	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.4	-170.6	-63.4	-83.4	0	0	0	110.5	P669 H721 H723 W830 P832	P669-D737 WeakPolarHBondContact CD-O 3.23Å; H721-D737 IonicContact CE1-OD1 2.77Å; H721-D737 PolarHBondContact CE1-OD1 3.32Å; H721-D737 IonicContact NE2-OD1 3.07Å; H721-D737 PolarHBondContact NE2-OD1 2.76Å; H723-D737 IonicContact CE1-OD1 2.85Å; H723-D737 IonicContact CG-OD1 3.83Å; H723-D737 IonicContact ND1-OD1 2.68Å; H723-D737 PolarHBondContact ND1-OD1 3.41Å; H723-D737 IonicContact ND1-OD2 3.37Å; D737-W830 HydrophobicContact CB-CH2 4.48Å; D737-P832 HydrophobicContact CB-CG 3.72Å
738	V	93.4	Very high	78.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.9	176.1	-169.3	0	0	0	0	109.4	I667 R668 I699 F722 L724 I728 F730 F740	I667-V738 HydrophobicContact CD1-CG1 4.18Å; I667-V738 HydrophobicContact CG1-CG1 4.17Å; R668-V738 CarbonylContact O-C 3.53Å; R668-V738 WeakPolarHBondContact O-CA 3.39Å; I699-V738 HydrophobicContact CD1-CB 4.07Å; I699-V738 HydrophobicContact CD1-CG1 3.81Å; I699-V738 HydrophobicContact CD1-CG2 4.3Å; F722-V738 PolarHBondContact N-O 3.46Å; F722-V738 PolarHBondContact O-N 3.32Å; L724-V738 HydrophobicContact CD1-CG2 4.09Å; I728-V738 HydrophobicContact CD1-CG2 4.07Å; F730-V738 HydrophobicContact CE2-CG2 3.54Å; F730-V738 HydrophobicContact CZ-CG1 4.06Å; F730-V738 HydrophobicContact CZ-CG2 3.61Å; V738-F740 HydrophobicContact CG1-CE2 3.95Å; V738-F740 HydrophobicContact CG1-CZ 3.87Å
739	Q	93.8	Very high	77.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.1	178.3	-71.2	-176.1	-21.3	0	0	111.4	I667 R668 V719 L720 H721 A827 W830	I667-Q739 CarbonylContact C-O 3.19Å; I667-Q739 VanDerWaalsContact CA-O 3.31Å; I667-Q739 WeakPolarHBondContact CA-O 3.47Å; R668-Q739 HydrophobicContact CB-CB 4.22Å; R668-Q739 PolarHBondContact N-O 3.37Å; R668-Q739 PolarHBondContact O-N 3.17Å; V719-Q739 HydrophobicContact CG1-CB 4.16Å; V719-Q739 HydrophobicContact CG1-CG 4.1Å; L720-Q739 CarbonylContact O-C 3.55Å; L720-Q739 WeakPolarHBondContact O-CA 3.43Å; H721-Q739 HydrophobicContact CB-CG 3.8Å; H721-Q739 WeakPolarHBondContact ND1-CG 3.47Å; H721-Q739 PolarHBondContact ND1-NE2 2.89Å; H721-Q739 VanDerWaalsContact ND1-NE2 3.18Å; Q739-A827 PolarHBondContact NE2-O 3.23Å; Q739-W830 HydrophobicContact CB-CZ3 4.41Å; Q739-W830 HydrophobicContact CG-CE3 4.49Å; Q739-W830 HydrophobicContact CG-CZ3 4.07Å
740	F	94.7	Very high	76.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.8	167.1	-57.3	-78.2	0	0	0	108.9	L665 Y666 I667 L680 F689 I699 L720 F722 V738	L665-F740 HydrophobicContact CD1-CB 4.19Å; Y666-F740 VanDerWaalsContact O-CA 3.28Å; Y666-F740 WeakPolarHBondContact O-CA 3.28Å; I667-F740 HydrophobicContact CB-CD1 4.2Å; I667-F740 HydrophobicContact CB-CE1 4.12Å; I667-F740 HydrophobicContact CD1-CE1 3.68Å; I667-F740 HydrophobicContact CD1-CZ 4.15Å; I667-F740 HydrophobicContact CG1-CD1 4.12Å; I667-F740 HydrophobicContact CG1-CE1 3.7Å; I667-F740 HydrophobicContact CG1-CZ 4.38Å; L680-F740 HydrophobicContact CD1-CD1 4.39Å; L680-F740 HydrophobicContact CD1-CD2 4.18Å; L680-F740 HydrophobicContact CD1-CE1 4.02Å; L680-F740 HydrophobicContact CD1-CE2 3.78Å; L680-F740 HydrophobicContact CD1-CG 4.46Å; L680-F740 HydrophobicContact CD1-CZ 3.69Å; L680-F740 HydrophobicContact CD2-CD2 3.89Å; L680-F740 HydrophobicContact CD2-CE2 4.24Å; L680-F740 HydrophobicContact CD2-CG 4.15Å; F689-F740 HydrophobicContact CB-CE1 3.53Å; F689-F740 HydrophobicContact CB-CZ 3.91Å; F689-F740 HydrophobicContact CD1-CE1 4.31Å; F689-F740 AromaticContact CD2-CD1 3.65Å; F689-F740 HydrophobicContact CD2-CD1 3.65Å; F689-F740 AromaticContact CD2-CE1 3.4Å; F689-F740 HydrophobicContact CD2-CE1 3.4Å; F689-F740 VanDerWaalsContact CD2-CE1 3.4Å; F689-F740 HydrophobicContact CD2-CZ 4.5Å; F689-F740 HydrophobicContact CE2-CD1 4.05Å; F689-F740 HydrophobicContact CE2-CE1 4.13Å; F689-F740 HydrophobicContact CG-CD1 4.22Å; F689-F740 AromaticContact CG-CE1 3.5Å; F689-F740 HydrophobicContact CG-CE1 3.5Å; F689-F740 VanDerWaalsContact CG-CE1 3.5Å; F689-F740 HydrophobicContact CG-CZ 4.36Å; I699-F740 HydrophobicContact CD1-CE2 3.69Å; I699-F740 HydrophobicContact CD1-CZ 3.75Å; L720-F740 HydrophobicContact CB-CB 4.44Å; L720-F740 PolarHBondContact N-O 3.39Å; L720-F740 PolarHBondContact O-N 2.73Å; F722-F740 AromaticContact CD2-CD2 3.89Å; F722-F740 HydrophobicContact CD2-CD2 3.89Å; F722-F740 AromaticContact CD2-CE2 3.68Å; F722-F740 HydrophobicContact CD2-CE2 3.68Å; F722-F740 AromaticContact CE2-CD2 3.6Å; F722-F740 HydrophobicContact CE2-CD2 3.6Å; F722-F740 AromaticContact CE2-CE2 3.58Å; F722-F740 HydrophobicContact CE2-CE2 3.58Å; V738-F740 HydrophobicContact CG1-CE2 3.95Å; V738-F740 HydrophobicContact CG1-CZ 3.87Å
741	Y	93.9	Very high	75.4	Confident	7 Å²	7	77.1 Å²	77.1	3%	0.027	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.1	-175.2	72.6	-73.2	0	0	0	112	Y666 R668 I717 I718 E743	Y666-Y741 HydrophobicContact CD2-CE2 4.25Å; Y666-Y741 HydrophobicContact CG-CE1 4.43Å; Y666-Y741 PolarHBondContact N-O 2.7Å; Y666-Y741 PolarHBondContact O-N 3.08Å; R668-Y741 HydrophobicContact CG-CD1 4.4Å; R668-Y741 HydrophobicContact CG-CE1 3.7Å; R668-Y741 VanDerWaalsContact CZ-CZ 3.43Å; R668-Y741 VanDerWaalsContact NE-CE1 3.27Å; R668-Y741 PolarHBondContact NE-OH 2.94Å; R668-Y741 VanDerWaalsContact NH2-CZ 3.28Å; R668-Y741 PolarHBondContact NH2-OH 3.29Å; R668-Y741 VanDerWaalsContact NH2-OH 3.12Å; I717-Y741 HydrophobicContact CB-CD2 4.48Å; I717-Y741 HydrophobicContact CG2-CD2 4.19Å; I718-Y741 WeakPolarHBondContact O-CA 3.43Å; I718-Y741 WeakPolarHBondContact O-CB 3.19Å; Y741-E743 HydrophobicContact CE2-CG 4.26Å
742	T	91.1	Very high	74.7	Confident	18 Å²	18	77.1 Å²	77.1	11%	0.11	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.5	167.2	-163.7	0	0	0	0	109.7	D664 I717 I718 L776 F780	D664-T742 PolarHBondContact O-OG1 3.07Å; I717-T742 WeakPolarHBondContact CA-O 3.31Å; I718-T742 HydrophobicContact CG2-CG2 3.3Å; I718-T742 PolarHBondContact N-O 3.14Å; I718-T742 VanDerWaalsContact N-O 3.1Å; I718-T742 PolarHBondContact O-N 3.01Å; I718-T742 VanDerWaalsContact O-N 3.15Å; T742-L776 HydrophobicContact CG2-CD1 3.98Å; T742-L776 HydrophobicContact CG2-CD2 3.88Å; T742-F780 HydrophobicContact CG2-CE2 4.11Å; T742-F780 HydrophobicContact CG2-CZ 4.23Å
743	E	86.7	Confident	73.6	Confident	72 Å²	72	76.2 Å²	76.2	34%	0.336	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.4	-176.7	-68	166.3	-175.9	0	0	108.5	R675 I717 Y741	R675-E743 IonicContact NH1-OE1 3.87Å; I717-E743 HydrophobicContact CG2-CG 3.96Å; Y741-E743 HydrophobicContact CE2-CG 4.26Å
744	V	77.8	Confident	72.5	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.018	41%	0.409	C	S	.	.	S	Bend	trans	-96.3	-15.7	-175.5	-165	0	0	0	0	112.6	C712 M716 I718 M772 R773 L776	C712-V744 HydrophobicContact CB-CG2 3.77Å; M716-V744 PolarHBondContact O-N 3.31Å; I718-V744 HydrophobicContact CG2-CG2 4.4Å; V744-M772 HydrophobicContact CG1-CB 4.49Å; V744-M772 HydrophobicContact CG1-CG 4.26Å; V744-R773 HydrophobicContact CB-CG 4.35Å; V744-R773 HydrophobicContact CG1-CB 4.12Å; V744-R773 HydrophobicContact CG1-CG 3.3Å; V744-L776 HydrophobicContact CB-CD1 4.27Å; V744-L776 HydrophobicContact CG1-CD1 4Å; V744-L776 HydrophobicContact CG2-CD1 3.73Å
745	G	68.3	Low	71.1	Confident	26 Å²	26	78.3 Å²	78.3	27%	0.268	42%	0.422	S	S	.	.	S	Bend	trans	-152.7	165.7	177.5	0	0	0	0	0	112.8
746	E	60.4	Low	69.5	Low	164 Å²	164	84.4 Å²	84.4	77%	0.766	45%	0.45	S	S	*	.			trans	-89.7	132.7	173.2	-73.1	-175.6	166.3	0	0	110.4	T748	E746-T748 PolarHBondContact O-N 2.7Å
747	I	56.5	Low	67.4	Low	158 Å²	158	89.5 Å²	89.5	81%	0.81	47%	0.472	S	S	*	.	S	Bend	trans	-63.3	-28.9	175.6	-65.9	168.4	0	0	0	110.9	T749	I747-T749 PolarHBondContact O-N 2.83Å
748	T	52.3	Low	65.6	Low	107 Å²	107	91.6 Å²	91.6	66%	0.656	48%	0.481	S	S	*	.			trans	-87.8	83.8	-175.9	50.9	0	0	0	0	111.1	E746	E746-T748 PolarHBondContact O-N 2.7Å
749	T	54.3	Low	64.3	Low	112 Å²	112	97.4 Å²	97.4	69%	0.687	51%	0.512	S	S	*	.			trans	-77.9	112.5	146.9	36.8	0	0	0	0	106.5	I747 L751	I747-T749 PolarHBondContact O-N 2.83Å; T749-L751 VanDerWaalsContact C-N 3.28Å; T749-L751 PolarHBondContact O-N 3.18Å
750	D	47.8	Very low	62.8	Low	133 Å²	133	107.9 Å²	107.9	71%	0.711	55%	0.551	S	S	*	*			trans	-68.9	85.2	-177	-158.6	1.9	0	0	0	109.1	G752	D750-G752 PolarHBondContact O-N 2.93Å
751	L	54	Low	61.7	Low	169 Å²	169	112.2 Å²	112.2	89%	0.885	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-9.3	-175.8	-71.9	167.3	0	0	0	113.5	T749	T749-L751 VanDerWaalsContact C-N 3.28Å; T749-L751 PolarHBondContact O-N 3.18Å
752	G	52	Low	60.7	Low	68 Å²	68	116.8 Å²	116.8	70%	0.701	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-11.8	-173.6	0	0	0	0	0	115.8	D750	D750-G752 PolarHBondContact O-N 2.93Å
753	K	45.7	Very low	59.9	Low	152 Å²	152	121.1 Å²	121.1	66%	0.661	62%	0.621	S	S	*	*	S	Bend	trans	-139.9	134.7	-177.7	-66.8	178.2	-176	165.9	0	110.1
754	H	49.9	Very low	59.4	Low	152 Å²	152	125.1 Å²	125.1	70%	0.704	63%	0.634	S	S	*	*			trans	119.6	78.1	161.3	-54.9	-59.2	0	0	0	116.1	H756	H754-H756 PolarHBondContact O-N 2.73Å
755	Q	51.2	Low	59.3	Low	179 Å²	179	127.7 Å²	127.7	84%	0.836	66%	0.656	S	S	*	*	S	Bend	trans	-64.9	109.9	151.8	-99.8	170.1	-23.2	0	0	110	M757	Q755-M757 PolarHBondContact O-N 3.3Å
756	H	50.7	Low	59.7	Low	173 Å²	173	130.5 Å²	130.5	80%	0.801	66%	0.662	S	S	*	*	S	Bend	trans	66.8	15.1	147.4	-65.4	-60.5	0	0	0	121.7	H754	H754-H756 PolarHBondContact O-N 2.73Å
757	M	47.6	Very low	60.5	Low	161 Å²	161	127 Å²	127	79%	0.793	65%	0.646	S	S	*	*	S	Bend	trans	-123.5	13.6	178.5	-143.3	160.3	81.1	0	0	117.1	Q755	Q755-M757 PolarHBondContact O-N 3.3Å
758	H	55.2	Low	61.5	Low	70 Å²	70	123.9 Å²	123.9	32%	0.324	63%	0.629	S	S	.	*			trans	-137.1	19.1	-175	-71.3	-73.8	0	0	0	116.5	R760 D761 D762	H758-R760 PolarHBondContact O-N 3.46Å; H758-D761 HydrophobicContact CB-CB 4.22Å; H758-D761 IonicContact CE1-OD2 2.73Å; H758-D761 PolarHBondContact CE1-OD2 3.44Å; H758-D761 IonicContact CG-OD2 2.89Å; H758-D761 IonicContact ND1-OD2 3.88Å; H758-D761 PolarHBondContact ND1-OD2 2.7Å; H758-D761 WeakPolarHBondContact O-CA 3.25Å; H758-D761 PolarHBondContact O-N 3.35Å; H758-D762 PolarHBondContact O-N 3.42Å
759	D	66.9	Low	62.7	Low	122 Å²	122	121.9 Å²	121.9	65%	0.652	61%	0.612	S	S	*	*	H	α-helix	trans	-48.3	-29.5	172.6	-67.2	13.5	0	0	0	112.8	L763	D759-L763 WeakPolarHBondContact O-CB 3.45Å; D759-L763 PolarHBondContact O-N 3.39Å
760	R	60.8	Low	64	Low	219 Å²	219	123.1 Å²	123.1	83%	0.826	60%	0.604	S	S	*	*	H	α-helix	trans	-73.7	-35.9	176.9	-143.5	-167.3	-167.6	-161.2	2.8	113.8	H758 Y764	H758-R760 PolarHBondContact O-N 3.46Å; R760-Y764 WeakPolarHBondContact O-CB 3.44Å; R760-Y764 PolarHBondContact O-N 2.84Å; R760-Y764 VanDerWaalsContact O-N 3.13Å
761	D	72.2	Confident	65.7	Low	91 Å²	91	122.2 Å²	122.2	49%	0.487	60%	0.596	S	S	.	*	H	α-helix	trans	-79.8	-35.6	177.7	-66.6	-18.6	0	0	0	110.3	H758 Y764 A765	H758-D761 HydrophobicContact CB-CB 4.22Å; H758-D761 IonicContact CE1-OD2 2.73Å; H758-D761 PolarHBondContact CE1-OD2 3.44Å; H758-D761 IonicContact CG-OD2 2.89Å; H758-D761 IonicContact ND1-OD2 3.88Å; H758-D761 PolarHBondContact ND1-OD2 2.7Å; H758-D761 WeakPolarHBondContact O-CA 3.25Å; H758-D761 PolarHBondContact O-N 3.35Å; D761-Y764 PolarHBondContact O-N 2.99Å; D761-A765 WeakPolarHBondContact O-CB 3.21Å; D761-A765 PolarHBondContact O-N 3.46Å
762	D	72.7	Confident	66.9	Low	104 Å²	104	118.5 Å²	118.5	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-62.7	-45.8	172.7	-65.6	-22	0	0	0	110.8	H758 Y764 A765 E766	H758-D762 PolarHBondContact O-N 3.42Å; D762-Y764 VanDerWaalsContact C-N 3.29Å; D762-Y764 PolarHBondContact O-N 3.27Å; D762-A765 PolarHBondContact O-N 3Å; D762-E766 WeakPolarHBondContact O-CB 3.28Å; D762-E766 PolarHBondContact O-N 2.91Å
763	L	74.8	Confident	68.4	Low	109 Å²	109	117.7 Å²	117.7	57%	0.571	55%	0.551	S	S	*	*	H	α-helix	trans	-66.8	-32.3	176.6	-161.3	133.9	0	0	0	111.9	D759 Q767	D759-L763 WeakPolarHBondContact O-CB 3.45Å; D759-L763 PolarHBondContact O-N 3.39Å; L763-Q767 WeakPolarHBondContact O-CB 3.37Å; L763-Q767 PolarHBondContact O-N 2.77Å
764	Y	76.2	Confident	70.3	Confident	155 Å²	155	116.7 Å²	116.7	61%	0.608	55%	0.548	S	S	*	.	H	α-helix	trans	-69.9	-40.5	172.8	-171.2	-92.8	0	0	0	111.9	R760 D761 D762 Q767 M768	R760-Y764 WeakPolarHBondContact O-CB 3.44Å; R760-Y764 PolarHBondContact O-N 2.84Å; R760-Y764 VanDerWaalsContact O-N 3.13Å; D761-Y764 PolarHBondContact O-N 2.99Å; D762-Y764 VanDerWaalsContact C-N 3.29Å; D762-Y764 PolarHBondContact O-N 3.27Å; Y764-Q767 PolarHBondContact O-N 3.35Å; Y764-M768 HydrophobicContact CD1-CG 3.89Å; Y764-M768 HydrophobicContact CE1-CG 3.56Å; Y764-M768 HydrophobicContact CE1-SD 4.07Å; Y764-M768 WeakPolarHBondContact O-CB 3.26Å; Y764-M768 VanDerWaalsContact O-CG 3.25Å; Y764-M768 WeakPolarHBondContact O-CG 3.46Å; Y764-M768 PolarHBondContact O-N 2.99Å
765	A	76.1	Confident	72.1	Confident	57 Å²	57	117.1 Å²	117.1	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-63.9	-44.4	175.6	0	0	0	0	0	111.4	D761 D762 Q767 M768 E769	D761-A765 WeakPolarHBondContact O-CB 3.21Å; D761-A765 PolarHBondContact O-N 3.46Å; D762-A765 PolarHBondContact O-N 3Å; A765-Q767 VanDerWaalsContact C-N 3.34Å; A765-Q767 PolarHBondContact O-N 2.71Å; A765-M768 PolarHBondContact O-N 3.48Å; A765-E769 WeakPolarHBondContact O-CB 3.44Å; A765-E769 PolarHBondContact O-N 2.81Å
766	E	76.3	Confident	73.8	Confident	85 Å²	85	110 Å²	110	40%	0.397	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-40.8	175.1	-169.7	-172.1	168.8	0	0	111.7	D762 E769 R770	D762-E766 WeakPolarHBondContact O-CB 3.28Å; D762-E766 PolarHBondContact O-N 2.91Å; E766-E769 PolarHBondContact O-N 2.75Å; E766-R770 WeakPolarHBondContact O-CG 3.23Å; E766-R770 PolarHBondContact O-N 3.38Å; E766-R770 IonicContact OE1-CZ 2.77Å; E766-R770 IonicContact OE1-NE 2.65Å; E766-R770 IonicContact OE1-NH1 3.21Å; E766-R770 IonicContact OE1-NH2 3Å; E766-R770 PolarHBondContact OE1-NH2 2.81Å
767	Q	77.5	Confident	75.5	Confident	90 Å²	90	105.2 Å²	105.2	42%	0.421	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-45.2	175.9	-163.6	81	22.8	0	0	111.4	L763 Y764 A765 E769 R770 E771	L763-Q767 WeakPolarHBondContact O-CB 3.37Å; L763-Q767 PolarHBondContact O-N 2.77Å; Y764-Q767 PolarHBondContact O-N 3.35Å; A765-Q767 VanDerWaalsContact C-N 3.34Å; A765-Q767 PolarHBondContact O-N 2.71Å; Q767-E769 VanDerWaalsContact C-N 3.32Å; Q767-E769 PolarHBondContact O-N 2.88Å; Q767-R770 PolarHBondContact O-N 2.95Å; Q767-E771 WeakPolarHBondContact O-CG 3.11Å; Q767-E771 PolarHBondContact O-N 2.97Å
768	M	76.7	Confident	77.5	Confident	93 Å²	93	100.2 Å²	100.2	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-39.3	176.5	-76.1	-72.6	-64.4	0	0	111.7	Y764 A765 E771 M772	Y764-M768 HydrophobicContact CD1-CG 3.89Å; Y764-M768 HydrophobicContact CE1-CG 3.56Å; Y764-M768 HydrophobicContact CE1-SD 4.07Å; Y764-M768 WeakPolarHBondContact O-CB 3.26Å; Y764-M768 VanDerWaalsContact O-CG 3.25Å; Y764-M768 WeakPolarHBondContact O-CG 3.46Å; Y764-M768 PolarHBondContact O-N 2.99Å; A765-M768 PolarHBondContact O-N 3.48Å; M768-E771 PolarHBondContact O-N 3.22Å; M768-M772 WeakPolarHBondContact O-CB 3.44Å; M768-M772 PolarHBondContact O-N 3.37Å
769	E	78.9	Confident	79.2	Confident	65 Å²	65	98.8 Å²	98.8	30%	0.304	47%	0.472	S	S	.	.	H	α-helix	trans	-64.7	-45.5	175.4	-166.9	-166.3	143.9	0	0	111.3	A765 E766 Q767 E771 M772 R773	A765-E769 WeakPolarHBondContact O-CB 3.44Å; A765-E769 PolarHBondContact O-N 2.81Å; E766-E769 PolarHBondContact O-N 2.75Å; Q767-E769 VanDerWaalsContact C-N 3.32Å; Q767-E769 PolarHBondContact O-N 2.88Å; E769-E771 VanDerWaalsContact C-N 3.35Å; E769-E771 PolarHBondContact O-N 2.97Å; E769-M772 PolarHBondContact O-N 2.96Å; E769-R773 WeakPolarHBondContact O-CG 3.37Å; E769-R773 PolarHBondContact O-N 2.79Å; E769-R773 IonicContact OE1-CZ 2.9Å; E769-R773 VanDerWaalsContact OE1-CZ 3.22Å; E769-R773 IonicContact OE1-NE 3.74Å; E769-R773 PolarHBondContact OE1-NE 2.77Å; E769-R773 IonicContact OE1-NH2 3.36Å; E769-R773 PolarHBondContact OE1-NH2 3.12Å
770	R	81.2	Confident	80.4	Confident	139 Å²	139	93.1 Å²	93.1	53%	0.525	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-43	175.3	-76.1	177.6	177.2	155.1	3.1	112.3	E766 Q767 M772 R773 H774	E766-R770 WeakPolarHBondContact O-CG 3.23Å; E766-R770 PolarHBondContact O-N 3.38Å; E766-R770 IonicContact OE1-CZ 2.77Å; E766-R770 IonicContact OE1-NE 2.65Å; E766-R770 IonicContact OE1-NH1 3.21Å; E766-R770 IonicContact OE1-NH2 3Å; E766-R770 PolarHBondContact OE1-NH2 2.81Å; Q767-R770 PolarHBondContact O-N 2.95Å; R770-M772 VanDerWaalsContact C-N 3.33Å; R770-R773 PolarHBondContact O-N 3.06Å; R770-H774 WeakPolarHBondContact O-CB 3.44Å; R770-H774 PolarHBondContact O-N 2.89Å
771	E	82.7	Confident	81.8	Confident	114 Å²	114	88.4 Å²	88.4	53%	0.533	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-39.6	175.6	-74.1	-178	-173.6	0	0	111.7	Q767 M768 E769 H774 K775	Q767-E771 WeakPolarHBondContact O-CG 3.11Å; Q767-E771 PolarHBondContact O-N 2.97Å; M768-E771 PolarHBondContact O-N 3.22Å; E769-E771 VanDerWaalsContact C-N 3.35Å; E769-E771 PolarHBondContact O-N 2.97Å; E771-H774 PolarHBondContact O-N 3.37Å; E771-K775 VanDerWaalsContact O-CB 3.26Å; E771-K775 WeakPolarHBondContact O-CB 3.37Å; E771-K775 PolarHBondContact O-N 2.74Å
772	M	79.8	Confident	82.7	Confident	90 Å²	90	87.5 Å²	87.5	44%	0.443	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-45	175.8	-170	168.8	176	0	0	112	V744 M768 E769 R770 H774 K775 L776	V744-M772 HydrophobicContact CG1-CB 4.49Å; V744-M772 HydrophobicContact CG1-CG 4.26Å; M768-M772 WeakPolarHBondContact O-CB 3.44Å; M768-M772 PolarHBondContact O-N 3.37Å; E769-M772 PolarHBondContact O-N 2.96Å; R770-M772 VanDerWaalsContact C-N 3.33Å; M772-H774 PolarHBondContact O-N 2.83Å; M772-K775 PolarHBondContact O-N 2.55Å; M772-L776 HydrophobicContact CE-CD1 4.28Å; M772-L776 HydrophobicContact CG-CD1 4.12Å; M772-L776 WeakPolarHBondContact O-CB 3.22Å; M772-L776 WeakPolarHBondContact O-CG 3.48Å; M772-L776 PolarHBondContact O-N 2.82Å
773	R	84.2	Confident	83.6	Confident	51 Å²	51	82.9 Å²	82.9	19%	0.192	40%	0.397	C	S	.	.	H	α-helix	trans	-54.3	-50.4	171.9	-74.1	175.6	-177.1	-93.1	-1.2	110.9	C712 E715 V744 E769 R770 K775 L776 K777	C712-R773 PolarHBondContact O-NH1 2.9Å; E715-R773 PolarHBondContact O-NH1 2.74Å; V744-R773 HydrophobicContact CB-CG 4.35Å; V744-R773 HydrophobicContact CG1-CB 4.12Å; V744-R773 HydrophobicContact CG1-CG 3.3Å; E769-R773 WeakPolarHBondContact O-CG 3.37Å; E769-R773 PolarHBondContact O-N 2.79Å; E769-R773 IonicContact OE1-CZ 2.9Å; E769-R773 VanDerWaalsContact OE1-CZ 3.22Å; E769-R773 IonicContact OE1-NE 3.74Å; E769-R773 PolarHBondContact OE1-NE 2.77Å; E769-R773 IonicContact OE1-NH2 3.36Å; E769-R773 PolarHBondContact OE1-NH2 3.12Å; R770-R773 PolarHBondContact O-N 3.06Å; R773-K775 PolarHBondContact O-N 2.88Å; R773-L776 PolarHBondContact O-N 3.02Å; R773-K777 VanDerWaalsContact O-CB 3.29Å; R773-K777 WeakPolarHBondContact O-CB 3.29Å; R773-K777 PolarHBondContact O-N 2.8Å
774	H	85.2	Confident	84.4	Confident	132 Å²	132	78.3 Å²	78.3	61%	0.611	37%	0.373	S	S	*	.	H	α-helix	trans	-62.1	-46.9	179.6	-170.3	64.6	0	0	0	111.6	R770 E771 M772 L776 K777 T778	R770-H774 WeakPolarHBondContact O-CB 3.44Å; R770-H774 PolarHBondContact O-N 2.89Å; E771-H774 PolarHBondContact O-N 3.37Å; M772-H774 PolarHBondContact O-N 2.83Å; H774-L776 PolarHBondContact O-N 2.68Å; H774-K777 PolarHBondContact O-N 3.04Å; H774-T778 WeakPolarHBondContact O-CB 3.38Å; H774-T778 PolarHBondContact O-N 3.09Å; H774-T778 PolarHBondContact O-OG1 3.24Å
775	K	86.8	Confident	85.1	Confident	160 Å²	160	75.6 Å²	75.6	70%	0.696	37%	0.365	S	S	*	.	H	α-helix	trans	-61	-43.7	179.4	-174.5	-179.9	179.7	-176.6	0	112.5	E771 M772 R773 A779	E771-K775 VanDerWaalsContact O-CB 3.26Å; E771-K775 WeakPolarHBondContact O-CB 3.37Å; E771-K775 PolarHBondContact O-N 2.74Å; M772-K775 PolarHBondContact O-N 2.55Å; R773-K775 PolarHBondContact O-N 2.88Å; K775-A779 WeakPolarHBondContact O-CB 3.41Å; K775-A779 PolarHBondContact O-N 2.91Å
776	L	87.1	Confident	85.7	Confident	31 Å²	31	78.9 Å²	78.9	16%	0.162	37%	0.369	C	S	.	.	H	α-helix	trans	-67.1	-45.4	177.4	-74	174.4	0	0	0	111.4	I718 T742 V744 M772 R773 H774 T778 A779 F780	I718-L776 HydrophobicContact CD1-CB 4.37Å; I718-L776 HydrophobicContact CG2-CD1 4.49Å; T742-L776 HydrophobicContact CG2-CD1 3.98Å; T742-L776 HydrophobicContact CG2-CD2 3.88Å; V744-L776 HydrophobicContact CB-CD1 4.27Å; V744-L776 HydrophobicContact CG1-CD1 4Å; V744-L776 HydrophobicContact CG2-CD1 3.73Å; M772-L776 HydrophobicContact CE-CD1 4.28Å; M772-L776 HydrophobicContact CG-CD1 4.12Å; M772-L776 WeakPolarHBondContact O-CB 3.22Å; M772-L776 WeakPolarHBondContact O-CG 3.48Å; M772-L776 PolarHBondContact O-N 2.82Å; R773-L776 PolarHBondContact O-N 3.02Å; H774-L776 PolarHBondContact O-N 2.68Å; L776-T778 VanDerWaalsContact C-N 3.33Å; L776-T778 PolarHBondContact O-N 3.21Å; L776-A779 PolarHBondContact O-N 3.33Å; L776-A779 VanDerWaalsContact O-N 3.11Å; L776-F780 WeakPolarHBondContact O-CD2 3.31Å; L776-F780 PolarHBondContact O-N 3.36Å
777	K	87.2	Confident	86.3	Confident	71 Å²	71	74.9 Å²	74.9	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-57.9	-45.6	175.9	-167.1	173.9	-169.3	169.8	0	111.4	D713 R773 H774 K781	D713-K777 IonicContact OD1-NZ 2.7Å; D713-K777 PolarHBondContact OD1-NZ 2.77Å; D713-K777 IonicContact OD2-NZ 3.47Å; D713-K777 PolarHBondContact OD2-NZ 2.92Å; R773-K777 VanDerWaalsContact O-CB 3.29Å; R773-K777 WeakPolarHBondContact O-CB 3.29Å; R773-K777 PolarHBondContact O-N 2.8Å; H774-K777 PolarHBondContact O-N 3.04Å; K777-K781 VanDerWaalsContact O-CB 3.23Å; K777-K781 WeakPolarHBondContact O-CB 3.46Å; K777-K781 PolarHBondContact O-N 2.98Å
778	T	90.1	Very high	86.8	Confident	57 Å²	57	73.2 Å²	73.2	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-40.9	174.8	-56.8	0	0	0	0	112	H774 L776 N782	H774-T778 WeakPolarHBondContact O-CB 3.38Å; H774-T778 PolarHBondContact O-N 3.09Å; H774-T778 PolarHBondContact O-OG1 3.24Å; L776-T778 VanDerWaalsContact C-N 3.33Å; L776-T778 PolarHBondContact O-N 3.21Å; T778-N782 VanDerWaalsContact O-CB 3.25Å; T778-N782 WeakPolarHBondContact O-CB 3.41Å; T778-N782 PolarHBondContact O-N 3.2Å; T778-N782 PolarHBondContact O-ND2 3.25Å; T778-N782 VanDerWaalsContact O-ND2 3.16Å
779	A	90	Very high	87.2	Confident	40 Å²	40	72.4 Å²	72.4	33%	0.331	35%	0.351	S	S	.	.	H	α-helix	trans	-64.8	-45.5	179.2	0	0	0	0	0	112.5	K775 L776 F783	K775-A779 WeakPolarHBondContact O-CB 3.41Å; K775-A779 PolarHBondContact O-N 2.91Å; L776-A779 PolarHBondContact O-N 3.33Å; L776-A779 VanDerWaalsContact O-N 3.11Å; A779-F783 PolarHBondContact O-N 3.29Å
780	F	92.2	Very high	87.4	Confident	3 Å²	3	72.1 Å²	72.1	1%	0.013	35%	0.351	C	S	.	.	H	α-helix	trans	-67.3	-44.3	177.2	-85.5	-116.2	0	0	0	111.5	L662 L665 F709 I718 L720 T742 L776 N782 F783 I784	L662-F780 HydrophobicContact CD1-CD1 4.13Å; L662-F780 HydrophobicContact CD1-CD2 4.4Å; L662-F780 HydrophobicContact CD1-CE1 4.18Å; L662-F780 HydrophobicContact CD1-CE2 4.45Å; L662-F780 HydrophobicContact CD1-CG 4.26Å; L662-F780 HydrophobicContact CD1-CZ 4.36Å; L662-F780 HydrophobicContact CD2-CD2 4.19Å; L662-F780 HydrophobicContact CD2-CE2 4.42Å; L665-F780 HydrophobicContact CD2-CE1 4.42Å; L665-F780 HydrophobicContact CD2-CE2 4.13Å; L665-F780 HydrophobicContact CD2-CZ 3.51Å; F709-F780 HydrophobicContact CD2-CB 4.44Å; F709-F780 HydrophobicContact CD2-CD1 4.17Å; F709-F780 HydrophobicContact CE2-CB 3.55Å; F709-F780 AromaticContact CE2-CD1 3.77Å; F709-F780 HydrophobicContact CE2-CD1 3.77Å; F709-F780 HydrophobicContact CE2-CG 4.01Å; F709-F780 HydrophobicContact CZ-CB 3.87Å; I718-F780 HydrophobicContact CD1-CB 3.88Å; I718-F780 HydrophobicContact CD1-CD1 4.06Å; I718-F780 HydrophobicContact CD1-CD2 3.71Å; I718-F780 HydrophobicContact CD1-CE1 4.5Å; I718-F780 HydrophobicContact CD1-CE2 4.2Å; I718-F780 HydrophobicContact CD1-CG 3.62Å; I718-F780 HydrophobicContact CG1-CD1 4.01Å; I718-F780 HydrophobicContact CG1-CD2 4.33Å; I718-F780 HydrophobicContact CG1-CE1 4.13Å; I718-F780 HydrophobicContact CG1-CE2 4.45Å; I718-F780 HydrophobicContact CG1-CG 4.1Å; I718-F780 HydrophobicContact CG1-CZ 4.33Å; I718-F780 HydrophobicContact CG2-CD2 4.39Å; I718-F780 HydrophobicContact CG2-CE1 4.34Å; I718-F780 HydrophobicContact CG2-CE2 3.81Å; I718-F780 HydrophobicContact CG2-CZ 3.77Å; L720-F780 HydrophobicContact CD1-CD1 3.84Å; L720-F780 HydrophobicContact CD1-CE1 3.82Å; L720-F780 HydrophobicContact CD2-CD1 4.21Å; L720-F780 HydrophobicContact CG-CD1 3.71Å; L720-F780 HydrophobicContact CG-CE1 3.7Å; T742-F780 HydrophobicContact CG2-CE2 4.11Å; T742-F780 HydrophobicContact CG2-CZ 4.23Å; L776-F780 WeakPolarHBondContact O-CD2 3.31Å; L776-F780 PolarHBondContact O-N 3.36Å; F780-N782 PolarHBondContact O-N 3.25Å; F780-F783 WeakPolarHBondContact O-CA 3.45Å; F780-F783 WeakPolarHBondContact O-CB 3.18Å; F780-F783 PolarHBondContact O-N 2.99Å; F780-I784 WeakPolarHBondContact O-CG1 3.27Å; F780-I784 PolarHBondContact O-N 3.33Å
781	K	89.8	Confident	87.4	Confident	119 Å²	119	66 Å²	66	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-46.3	176	-171.6	174.7	-179.7	176.7	0	111.9	K777 F783 I784 E785	K777-K781 VanDerWaalsContact O-CB 3.23Å; K777-K781 WeakPolarHBondContact O-CB 3.46Å; K777-K781 PolarHBondContact O-N 2.98Å; K781-F783 PolarHBondContact O-N 2.98Å; K781-I784 PolarHBondContact O-N 3.24Å; K781-E785 WeakPolarHBondContact CE-OE1 3.29Å; K781-E785 WeakPolarHBondContact O-CG 3.48Å; K781-E785 PolarHBondContact O-N 2.97Å
782	N	91.8	Very high	87.2	Confident	73 Å²	73	69 Å²	69	39%	0.39	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-30.8	174.6	-74.7	-23.3	0	0	0	113	T778 F780 K786	T778-N782 VanDerWaalsContact O-CB 3.25Å; T778-N782 WeakPolarHBondContact O-CB 3.41Å; T778-N782 PolarHBondContact O-N 3.2Å; T778-N782 PolarHBondContact O-ND2 3.25Å; T778-N782 VanDerWaalsContact O-ND2 3.16Å; F780-N782 PolarHBondContact O-N 3.25Å; N782-K786 WeakPolarHBondContact O-CD 3.22Å; N782-K786 WeakPolarHBondContact O-CG 3.26Å; N782-K786 PolarHBondContact O-N 2.92Å
783	F	91.8	Very high	87	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-71.1	-48.9	175	175.7	-95.8	0	0	0	110.6	P660 L662 L680 A682 F687 L720 A779 F780 K781 K786 V787	P660-F783 HydrophobicContact CB-CD2 3.75Å; P660-F783 HydrophobicContact CB-CE2 3.85Å; L662-F783 HydrophobicContact CB-CD2 4.5Å; L662-F783 HydrophobicContact CD1-CB 3.84Å; L662-F783 HydrophobicContact CD1-CD1 3.49Å; L662-F783 VanDerWaalsContact CD1-CD1 3.49Å; L662-F783 HydrophobicContact CD1-CD2 4Å; L662-F783 HydrophobicContact CD1-CE1 3.96Å; L662-F783 HydrophobicContact CD1-CE2 4.41Å; L662-F783 HydrophobicContact CD1-CG 3.51Å; L662-F783 HydrophobicContact CD1-CZ 4.39Å; L662-F783 HydrophobicContact CD2-CB 3.94Å; L662-F783 HydrophobicContact CD2-CG 4.28Å; L662-F783 HydrophobicContact CG-CB 3.79Å; L662-F783 HydrophobicContact CG-CD1 4.07Å; L662-F783 HydrophobicContact CG-CD2 3.62Å; L662-F783 HydrophobicContact CG-CE2 4.15Å; L662-F783 HydrophobicContact CG-CG 3.56Å; L680-F783 HydrophobicContact CD2-CE1 4.28Å; L680-F783 HydrophobicContact CD2-CZ 4.12Å; L680-F783 HydrophobicContact CG-CZ 4.37Å; A682-F783 HydrophobicContact CB-CE2 4.48Å; A682-F783 HydrophobicContact CB-CZ 4.4Å; F687-F783 HydrophobicContact CD1-CZ 4.27Å; F687-F783 HydrophobicContact CE1-CE1 4.18Å; F687-F783 AromaticContact CE1-CZ 3.98Å; F687-F783 HydrophobicContact CE1-CZ 3.98Å; L720-F783 HydrophobicContact CD1-CD1 4.21Å; L720-F783 HydrophobicContact CD1-CE1 4.14Å; A779-F783 PolarHBondContact O-N 3.29Å; F780-F783 WeakPolarHBondContact O-CA 3.45Å; F780-F783 WeakPolarHBondContact O-CB 3.18Å; F780-F783 PolarHBondContact O-N 2.99Å; K781-F783 PolarHBondContact O-N 2.98Å; F783-K786 PolarHBondContact O-N 3.36Å; F783-V787 HydrophobicContact CD1-CG2 4.12Å; F783-V787 HydrophobicContact CD2-CG2 4.47Å; F783-V787 HydrophobicContact CE1-CG2 3.8Å; F783-V787 HydrophobicContact CE2-CG2 4.19Å; F783-V787 HydrophobicContact CG-CG2 4.45Å; F783-V787 HydrophobicContact CZ-CG2 3.85Å; F783-V787 VanDerWaalsContact O-CG2 3.28Å; F783-V787 WeakPolarHBondContact O-CG2 3.34Å; F783-V787 PolarHBondContact O-N 3.2Å
784	I	91.3	Very high	86.6	Confident	14 Å²	14	74.6 Å²	74.6	7%	0.072	37%	0.367	C	S	.	.	H	α-helix	trans	-56.1	-53	177.7	-69.6	163.7	0	0	0	110.8	F709 L720 F780 K781 K786 V787 E788 F797	F709-I784 HydrophobicContact CB-CD1 3.6Å; F709-I784 HydrophobicContact CD1-CD1 3.44Å; F709-I784 VanDerWaalsContact CD1-CD1 3.44Å; F709-I784 HydrophobicContact CD2-CD1 3.67Å; F709-I784 HydrophobicContact CE1-CD1 3.99Å; F709-I784 HydrophobicContact CE2-CD1 4.2Å; F709-I784 HydrophobicContact CG-CD1 3.26Å; F709-I784 HydrophobicContact CZ-CD1 4.34Å; L720-I784 HydrophobicContact CD2-CD1 4.13Å; L720-I784 HydrophobicContact CD2-CG1 4.29Å; F780-I784 WeakPolarHBondContact O-CG1 3.27Å; F780-I784 PolarHBondContact O-N 3.33Å; K781-I784 PolarHBondContact O-N 3.24Å; I784-K786 PolarHBondContact O-N 3.4Å; I784-V787 WeakPolarHBondContact O-CA 3.39Å; I784-V787 PolarHBondContact O-N 3.1Å; I784-E788 HydrophobicContact CG2-CG 4.25Å; I784-E788 WeakPolarHBondContact O-CG 3.19Å; I784-E788 PolarHBondContact O-N 3.35Å; I784-F797 HydrophobicContact CB-CD2 4.35Å; I784-F797 HydrophobicContact CD1-CB 4.5Å; I784-F797 HydrophobicContact CD1-CG 4.47Å; I784-F797 HydrophobicContact CG1-CB 4.48Å; I784-F797 HydrophobicContact CG1-CD1 4.2Å; I784-F797 HydrophobicContact CG1-CD2 4.21Å; I784-F797 HydrophobicContact CG1-CE1 4.49Å; I784-F797 HydrophobicContact CG1-CE2 4.48Å; I784-F797 HydrophobicContact CG1-CG 4.05Å; I784-F797 HydrophobicContact CG2-CB 3.83Å; I784-F797 HydrophobicContact CG2-CD2 3.67Å; I784-F797 HydrophobicContact CG2-CE2 4.43Å; I784-F797 HydrophobicContact CG2-CG 3.87Å
785	E	89.7	Confident	86.5	Confident	97 Å²	97	68.8 Å²	68.8	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-57.4	-38.4	-179.6	-72.6	174.4	-175.1	0	0	112.2	K781 A789	K781-E785 WeakPolarHBondContact CE-OE1 3.29Å; K781-E785 WeakPolarHBondContact O-CG 3.48Å; K781-E785 PolarHBondContact O-N 2.97Å; E785-A789 VanDerWaalsContact O-CB 3.29Å; E785-A789 WeakPolarHBondContact O-CB 3.49Å; E785-A789 PolarHBondContact O-N 3.1Å; E785-A789 VanDerWaalsContact O-N 3.08Å
786	K	89.4	Confident	86.5	Confident	127 Å²	127	65.4 Å²	65.4	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-72.4	-33	176.8	-72	174.6	-177.2	178	0	113	P660 N782 F783 I784 L790	P660-K786 HydrophobicContact CB-CB 4.03Å; P660-K786 HydrophobicContact CB-CD 4.44Å; P660-K786 HydrophobicContact CG-CB 3.61Å; P660-K786 HydrophobicContact CG-CD 4.37Å; N782-K786 WeakPolarHBondContact O-CD 3.22Å; N782-K786 WeakPolarHBondContact O-CG 3.26Å; N782-K786 PolarHBondContact O-N 2.92Å; F783-K786 PolarHBondContact O-N 3.36Å; I784-K786 PolarHBondContact O-N 3.4Å; K786-L790 WeakPolarHBondContact O-CB 3.1Å; K786-L790 PolarHBondContact O-N 2.96Å; K786-L790 VanDerWaalsContact O-N 3.1Å
787	V	88.7	Confident	86.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71	-48.4	176.8	172.3	0	0	0	0	109.9	P660 A682 F687 F783 I784 A789 L790 T791 L795 F797	P660-V787 HydrophobicContact CB-CG2 4.22Å; A682-V787 HydrophobicContact CB-CG2 3.7Å; F687-V787 HydrophobicContact CE1-CG1 3.94Å; F687-V787 HydrophobicContact CE1-CG2 4Å; F687-V787 HydrophobicContact CZ-CG1 3.8Å; F783-V787 HydrophobicContact CD1-CG2 4.12Å; F783-V787 HydrophobicContact CD2-CG2 4.47Å; F783-V787 HydrophobicContact CE1-CG2 3.8Å; F783-V787 HydrophobicContact CE2-CG2 4.19Å; F783-V787 HydrophobicContact CG-CG2 4.45Å; F783-V787 HydrophobicContact CZ-CG2 3.85Å; F783-V787 VanDerWaalsContact O-CG2 3.28Å; F783-V787 WeakPolarHBondContact O-CG2 3.34Å; F783-V787 PolarHBondContact O-N 3.2Å; I784-V787 WeakPolarHBondContact O-CA 3.39Å; I784-V787 PolarHBondContact O-N 3.1Å; V787-A789 VanDerWaalsContact C-N 3.26Å; V787-A789 PolarHBondContact O-N 3.23Å; V787-L790 CarbonylContact O-C 3.6Å; V787-L790 WeakPolarHBondContact O-CA 3.38Å; V787-L790 WeakPolarHBondContact O-CB 3.48Å; V787-L790 PolarHBondContact O-N 3.33Å; V787-T791 HydrophobicContact CG1-CG2 4.26Å; V787-T791 PolarHBondContact O-N 2.93Å; V787-T791 PolarHBondContact O-OG1 2.83Å; V787-T791 VanDerWaalsContact O-OG1 3.09Å; V787-L795 HydrophobicContact CG1-CD2 4.15Å; V787-F797 HydrophobicContact CB-CE2 4.24Å; V787-F797 HydrophobicContact CG1-CE2 3.87Å; V787-F797 HydrophobicContact CG1-CZ 4.39Å
788	E	87.3	Confident	86.9	Confident	56 Å²	56	63 Å²	63	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-39.4	176.4	-69	-179	157.4	0	0	111.6	I784 L790 T791 K792 E793 F797	I784-E788 HydrophobicContact CG2-CG 4.25Å; I784-E788 WeakPolarHBondContact O-CG 3.19Å; I784-E788 PolarHBondContact O-N 3.35Å; E788-L790 VanDerWaalsContact C-N 3.35Å; E788-L790 PolarHBondContact O-N 2.89Å; E788-T791 PolarHBondContact O-OG1 3.02Å; E788-K792 PolarHBondContact O-N 2.77Å; E788-E793 PolarHBondContact O-N 3.17Å; E788-F797 HydrophobicContact CG-CD2 4.21Å; E788-F797 PolarHBondContact OE1-N 3.04Å
789	A	85.2	Confident	86.9	Confident	76 Å²	76	63.6 Å²	63.6	63%	0.628	32%	0.32	S	S	*	.	H	α-helix	trans	-65.5	-35.1	173	0	0	0	0	0	113.1	E785 V787	E785-A789 VanDerWaalsContact O-CB 3.29Å; E785-A789 WeakPolarHBondContact O-CB 3.49Å; E785-A789 PolarHBondContact O-N 3.1Å; E785-A789 VanDerWaalsContact O-N 3.08Å; V787-A789 VanDerWaalsContact C-N 3.26Å; V787-A789 PolarHBondContact O-N 3.23Å
790	L	84	Confident	87	Confident	59 Å²	59	62.1 Å²	62.1	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-75.8	-37.1	179.5	-175.1	143.4	0	0	0	112.2	H683 Y701 K786 V787 E788 K792	H683-L790 WeakPolarHBondContact O-CD2 3.44Å; Y701-L790 HydrophobicContact CE2-CD2 4.46Å; K786-L790 WeakPolarHBondContact O-CB 3.1Å; K786-L790 PolarHBondContact O-N 2.96Å; K786-L790 VanDerWaalsContact O-N 3.1Å; V787-L790 CarbonylContact O-C 3.6Å; V787-L790 WeakPolarHBondContact O-CA 3.38Å; V787-L790 WeakPolarHBondContact O-CB 3.48Å; V787-L790 PolarHBondContact O-N 3.33Å; E788-L790 VanDerWaalsContact C-N 3.35Å; E788-L790 PolarHBondContact O-N 2.89Å; L790-K792 VanDerWaalsContact C-N 3.3Å
791	T	80.8	Confident	86.9	Confident	9 Å²	9	66.9 Å²	66.9	6%	0.055	33%	0.328	C	S	.	.	H	α-helix	trans	-84.5	-2	177.5	58.9	0	0	0	0	113.1	Y701 V787 E788 E793 E794 L795	Y701-T791 HydrophobicContact CD2-CG2 3.71Å; Y701-T791 HydrophobicContact CE1-CG2 4.35Å; Y701-T791 HydrophobicContact CE2-CG2 3.45Å; Y701-T791 VanDerWaalsContact CE2-CG2 3.45Å; Y701-T791 HydrophobicContact CG-CG2 4.3Å; V787-T791 HydrophobicContact CG1-CG2 4.26Å; V787-T791 PolarHBondContact O-N 2.93Å; V787-T791 PolarHBondContact O-OG1 2.83Å; V787-T791 VanDerWaalsContact O-OG1 3.09Å; E788-T791 PolarHBondContact O-OG1 3.02Å; T791-E793 PolarHBondContact O-N 3.33Å; T791-E794 WeakPolarHBondContact O-CB 3.24Å; T791-E794 WeakPolarHBondContact O-CG 3.18Å; T791-E794 PolarHBondContact O-N 3.06Å; T791-L795 HydrophobicContact CG2-CB 4.17Å
792	K	79.6	Confident	86.7	Confident	178 Å²	178	66.1 Å²	66.1	77%	0.774	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	41.3	-175.2	-54.8	176.8	-179.7	175.5	0	112.4	E788 L790 E794	E788-K792 PolarHBondContact O-N 2.77Å; L790-K792 VanDerWaalsContact C-N 3.3Å; K792-E794 PolarHBondContact O-N 3.17Å
793	E	75.2	Confident	86.4	Confident	87 Å²	87	70.5 Å²	70.5	41%	0.407	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	16.7	-176.9	-47.8	177.1	163.5	0	0	114.9	K424 E788 T791 L795	K424-E793 WeakPolarHBondContact CE-OE2 3.49Å; K424-E793 IonicContact NZ-OE2 2.73Å; K424-E793 PolarHBondContact NZ-OE2 2.93Å; E788-E793 PolarHBondContact O-N 3.17Å; T791-E793 PolarHBondContact O-N 3.33Å; E793-L795 PolarHBondContact O-N 2.99Å
794	E	76.3	Confident	86.2	Confident	171 Å²	171	75.3 Å²	75.3	80%	0.799	37%	0.37	S	S	*	.	S	Bend	trans	-68.5	-25.7	169.6	-75.5	-176.2	176.9	0	0	112.7	T791 K792	T791-E794 WeakPolarHBondContact O-CB 3.24Å; T791-E794 WeakPolarHBondContact O-CG 3.18Å; T791-E794 PolarHBondContact O-N 3.06Å; K792-E794 PolarHBondContact O-N 3.17Å
795	L	83.2	Confident	86.2	Confident	11 Å²	11	75.7 Å²	75.7	6%	0.058	38%	0.378	C	S	.	.	S	Bend	trans	-120.2	108.5	175.8	-176.8	75.8	0	0	0	108	F687 Y701 I704 A707 V787 T791 E793 F797	F687-L795 HydrophobicContact CE2-CD2 3.63Å; F687-L795 HydrophobicContact CZ-CD2 3.58Å; Y701-L795 HydrophobicContact CD1-CD2 3.85Å; Y701-L795 HydrophobicContact CE1-CD2 4.14Å; I704-L795 HydrophobicContact CB-CD1 4.05Å; I704-L795 HydrophobicContact CD1-CD1 3.99Å; I704-L795 HydrophobicContact CD1-CD2 4.33Å; I704-L795 HydrophobicContact CG2-CD1 3.9Å; A707-L795 HydrophobicContact CB-CD1 4Å; A707-L795 HydrophobicContact CB-CG 4.38Å; V787-L795 HydrophobicContact CG1-CD2 4.15Å; T791-L795 HydrophobicContact CG2-CB 4.17Å; E793-L795 PolarHBondContact O-N 2.99Å; L795-F797 HydrophobicContact CD2-CE2 3.96Å; L795-F797 HydrophobicContact CD2-CZ 4.1Å; L795-F797 HydrophobicContact CG-CE2 4.4Å
796	E	85.4	Confident	86.4	Confident	89 Å²	89	71.5 Å²	71.5	42%	0.416	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-101	134.1	176.7	-63.1	-173.7	172.1	0	0	109.3	K426	K426-E796 IonicContact NZ-OE1 3.62Å; K426-E796 PolarHBondContact NZ-OE1 3.15Å; K426-E796 IonicContact NZ-OE2 2.83Å; K426-E796 PolarHBondContact NZ-OE2 3.22Å
797	F	91.2	Very high	86.7	Confident	19 Å²	19	69.3 Å²	69.3	8%	0.083	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.5	175	-74	-97.6	0	0	0	110.4	F687 A707 F709 L720 F722 I784 V787 E788 L795	F687-F797 AromaticContact CZ-CZ 3.95Å; F687-F797 HydrophobicContact CZ-CZ 3.95Å; A707-F797 HydrophobicContact CB-CD1 3.84Å; A707-F797 HydrophobicContact CB-CE1 3.98Å; A707-F797 HydrophobicContact CB-CG 4.25Å; A707-F797 CarbonylContact O-C 3.59Å; A707-F797 WeakPolarHBondContact O-CA 3.42Å; F709-F797 HydrophobicContact CB-CB 4.46Å; L720-F797 HydrophobicContact CD2-CD1 3.97Å; L720-F797 HydrophobicContact CD2-CE1 3.8Å; F722-F797 AromaticContact CE1-CE1 3.66Å; F722-F797 HydrophobicContact CE1-CE1 3.66Å; F722-F797 HydrophobicContact CE1-CZ 4.03Å; F722-F797 AromaticContact CZ-CE1 3.99Å; F722-F797 HydrophobicContact CZ-CE1 3.99Å; F722-F797 HydrophobicContact CZ-CZ 4.25Å; I784-F797 HydrophobicContact CB-CD2 4.35Å; I784-F797 HydrophobicContact CD1-CB 4.5Å; I784-F797 HydrophobicContact CD1-CG 4.47Å; I784-F797 HydrophobicContact CG1-CB 4.48Å; I784-F797 HydrophobicContact CG1-CD1 4.2Å; I784-F797 HydrophobicContact CG1-CD2 4.21Å; I784-F797 HydrophobicContact CG1-CE1 4.49Å; I784-F797 HydrophobicContact CG1-CE2 4.48Å; I784-F797 HydrophobicContact CG1-CG 4.05Å; I784-F797 HydrophobicContact CG2-CB 3.83Å; I784-F797 HydrophobicContact CG2-CD2 3.67Å; I784-F797 HydrophobicContact CG2-CE2 4.43Å; I784-F797 HydrophobicContact CG2-CG 3.87Å; V787-F797 HydrophobicContact CB-CE2 4.24Å; V787-F797 HydrophobicContact CG1-CE2 3.87Å; V787-F797 HydrophobicContact CG1-CZ 4.39Å; E788-F797 HydrophobicContact CG-CD2 4.21Å; E788-F797 PolarHBondContact OE1-N 3.04Å; L795-F797 HydrophobicContact CD2-CE2 3.96Å; L795-F797 HydrophobicContact CD2-CZ 4.1Å; L795-F797 HydrophobicContact CG-CE2 4.4Å
798	E	91.3	Very high	86.9	Confident	32 Å²	32	69.3 Å²	69.3	15%	0.15	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.1	176.1	-55.1	-171.6	160	0	0	110.7	A707 L708 F709 T820 S821 S822	A707-E798 PolarHBondContact O-N 2.84Å; L708-E798 CarbonylContact C-O 3.54Å; L708-E798 WeakPolarHBondContact CA-O 3.4Å; L708-E798 HydrophobicContact CD2-CB 4Å; F709-E798 PolarHBondContact N-O 2.94Å; E798-T820 HydrophobicContact CB-CG2 4.4Å; E798-T820 WeakPolarHBondContact OE2-CB 3.43Å; E798-T820 PolarHBondContact OE2-OG1 3.41Å; E798-S821 PolarHBondContact OE1-OG 3.16Å; E798-S822 WeakPolarHBondContact OE1-CB 3.42Å; E798-S822 PolarHBondContact OE1-OG 3.15Å; E798-S822 PolarHBondContact OE2-OG 3.45Å
799	V	91.7	Very high	87.2	Confident	69 Å²	69	67.1 Å²	67.1	42%	0.418	34%	0.344	S	S	.	.			trans	-111.1	120.9	173.8	-179.3	0	0	0	0	107.7	F709 P711	F709-V799 HydrophobicContact CB-CG2 4.38Å; F709-V799 HydrophobicContact CD1-CG2 3.87Å; P711-V799 HydrophobicContact CG-CG1 4.38Å
800	P	91.1	Very high	87.5	Confident	9 Å²	9	64.2 Å²	64.2	6%	0.058	32%	0.319	C	S	.	.			trans	-63.1	137.4	180	-23.4	35.1	0	0	0	112.7	R802 Q818 T820 V825	P800-R802 PolarHBondContact O-N 3.02Å; P800-Q818 HydrophobicContact CB-CB 3.54Å; P800-Q818 HydrophobicContact CB-CG 4.38Å; P800-T820 HydrophobicContact CB-CG2 4Å; P800-T820 HydrophobicContact CG-CG2 3.83Å; P800-V825 HydrophobicContact CB-CG2 4.12Å; P800-V825 HydrophobicContact CG-CG2 3.72Å
801	F	90.1	Very high	87.8	Confident	104 Å²	104	66.8 Å²	66.8	46%	0.456	33%	0.325	S	S	.	.			trans	-77.7	105.7	179.3	-57.2	-70.3	0	0	0	109.3	L804 P819	F801-L804 HydrophobicContact CB-CB 4.23Å; F801-L804 HydrophobicContact CB-CD1 4.08Å; F801-L804 HydrophobicContact CB-CG 4.28Å; F801-L804 HydrophobicContact CG-CD1 4.4Å; F801-P819 VanDerWaalsContact CD2-O 3.27Å; F801-P819 WeakPolarHBondContact CD2-O 3.48Å; F801-P819 PolarHBondContact N-O 3.34Å
802	R	86.5	Confident	87.9	Confident	103 Å²	103	78.2 Å²	78.2	39%	0.389	37%	0.367	S	S	.	.	S	Bend	trans	-68.4	-36.1	-177.7	-167.7	175.3	179.3	93.9	1	112.9	D713 E715 P800 L804 G805 L816	D713-R802 PolarHBondContact O-NH1 2.85Å; E715-R802 IonicContact OE1-CZ 2.73Å; E715-R802 IonicContact OE1-NH1 2.7Å; E715-R802 PolarHBondContact OE1-NH1 3.16Å; E715-R802 IonicContact OE1-NH2 2.83Å; P800-R802 PolarHBondContact O-N 3.02Å; R802-L804 VanDerWaalsContact C-N 3.26Å; R802-L804 PolarHBondContact O-N 3.38Å; R802-G805 PolarHBondContact O-N 2.88Å; R802-L816 HydrophobicContact CG-CD2 4.35Å
803	D	85	Confident	88.4	Confident	165 Å²	165	72.1 Å²	72.1	88%	0.882	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.5	-176.2	-55.8	-38.5	0	0	0	112.7
804	L	87.8	Confident	89.1	Confident	106 Å²	106	72.2 Å²	72.2	56%	0.555	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	4.1	173	-59.1	177.8	0	0	0	112.7	F801 R802 P819	F801-L804 HydrophobicContact CB-CB 4.23Å; F801-L804 HydrophobicContact CB-CD1 4.08Å; F801-L804 HydrophobicContact CB-CG 4.28Å; F801-L804 HydrophobicContact CG-CD1 4.4Å; R802-L804 VanDerWaalsContact C-N 3.26Å; R802-L804 PolarHBondContact O-N 3.38Å; L804-P819 HydrophobicContact CB-CG 3.54Å; L804-P819 HydrophobicContact CD1-CG 4.34Å; L804-P819 WeakPolarHBondContact O-CD 3.37Å
805	G	90.9	Very high	89.9	Confident	23 Å²	23	64.4 Å²	64.4	24%	0.237	32%	0.318	C	S	.	.			trans	-78	148.2	-177.2	0	0	0	0	0	112.9	R802 L817	R802-G805 PolarHBondContact O-N 2.88Å; G805-L817 CarbonylContact C-O 3.5Å; G805-L817 WeakPolarHBondContact CA-O 3.24Å
806	F	94.2	Very high	90.4	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.039	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.5	177.2	59.3	-90.2	0	0	0	111.2	L817 L824 M857 I874 I882 W885	F806-L817 HydrophobicContact CD2-CB 4.39Å; F806-L817 HydrophobicContact CD2-CD1 4.29Å; F806-L817 HydrophobicContact CE2-CB 4.1Å; F806-L817 HydrophobicContact CE2-CD1 3.67Å; F806-L817 HydrophobicContact CZ-CB 4.21Å; F806-L817 HydrophobicContact CZ-CD1 4.27Å; F806-L817 PolarHBondContact N-O 3.07Å; F806-L817 PolarHBondContact O-N 3.24Å; F806-L824 HydrophobicContact CE1-CD1 4.07Å; F806-L824 HydrophobicContact CZ-CD1 4.18Å; F806-L824 HydrophobicContact CZ-CD2 4.03Å; F806-M857 HydrophobicContact CE2-CE 4.39Å; F806-M857 HydrophobicContact CZ-CE 4.11Å; F806-I874 HydrophobicContact CD2-CD1 4.48Å; F806-I874 HydrophobicContact CD2-CG2 3.97Å; F806-I874 HydrophobicContact CE2-CD1 3.97Å; F806-I874 HydrophobicContact CE2-CG1 4.4Å; F806-I874 HydrophobicContact CE2-CG2 4.45Å; F806-I882 HydrophobicContact CB-CD1 4.31Å; F806-I882 HydrophobicContact CD1-CD1 3.79Å; F806-I882 HydrophobicContact CD1-CG1 3.71Å; F806-I882 HydrophobicContact CD2-CD1 3.65Å; F806-I882 HydrophobicContact CD2-CG1 4.49Å; F806-I882 HydrophobicContact CE1-CD1 3.92Å; F806-I882 HydrophobicContact CE1-CG1 3.79Å; F806-I882 HydrophobicContact CE2-CD1 3.78Å; F806-I882 HydrophobicContact CG-CD1 3.65Å; F806-I882 HydrophobicContact CG-CG1 4.07Å; F806-I882 HydrophobicContact CZ-CD1 3.9Å; F806-I882 HydrophobicContact CZ-CG1 4.22Å; F806-W885 HydrophobicContact CE1-CE3 4.5Å; F806-W885 HydrophobicContact CE1-CZ3 4.23Å
807	N	94.5	Very high	90.8	Very high	80 Å²	80	61.3 Å²	61.3	43%	0.428	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.3	178.9	-68.6	-56.4	0	0	0	110.5	T814 P875	N807-T814 HydrophobicContact CB-CG2 3.98Å; N807-P875 WeakPolarHBondContact O-CD 3.41Å
808	G	93.9	Very high	90.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	166	175.2	0	0	0	0	0	111.8	P810 T814 C815	G808-P810 VanDerWaalsContact O-CD 3.27Å; G808-P810 WeakPolarHBondContact O-CD 3.5Å; G808-T814 CarbonylContact O-C 3.48Å; G808-T814 WeakPolarHBondContact O-CA 3.37Å; G808-C815 PolarHBondContact N-O 2.67Å; G808-C815 PolarHBondContact O-N 2.91Å; G808-C815 VanDerWaalsContact O-O 3.08Å
809	A	93.7	Very high	90.9	Very high	11 Å²	11	59 Å²	59	9%	0.091	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-115.7	83.3	-178.2	0	0	0	0	0	110.8	Y811 S813 N872	A809-Y811 PolarHBondContact O-N 3.41Å; A809-S813 WeakPolarHBondContact CA-O 3.34Å; A809-N872 HydrophobicContact CB-CB 4.35Å; A809-N872 WeakPolarHBondContact CB-O 3.45Å; A809-N872 PolarHBondContact N-O 3.02Å; A809-N872 PolarHBondContact O-N 3.29Å
810	P	91.2	Very high	90.8	Very high	14 Å²	14	56 Å²	56	9%	0.091	28%	0.276	C	S	.	.	S	Bend	trans	-69	-23.1	176.5	28.5	-35.4	0	0	0	113.1	G808 C815 L817 F833 I871	G808-P810 VanDerWaalsContact O-CD 3.27Å; G808-P810 WeakPolarHBondContact O-CD 3.5Å; P810-C815 VanDerWaalsContact CD-SG 3.56Å; P810-L817 HydrophobicContact CG-CD2 4.29Å; P810-F833 HydrophobicContact CB-CD1 4.42Å; P810-F833 HydrophobicContact CB-CD2 3.36Å; P810-F833 HydrophobicContact CB-CE1 4.48Å; P810-F833 HydrophobicContact CB-CE2 3.43Å; P810-F833 VanDerWaalsContact CB-CE2 3.43Å; P810-F833 HydrophobicContact CB-CG 3.87Å; P810-F833 HydrophobicContact CB-CZ 4.01Å; P810-F833 HydrophobicContact CG-CB 4.26Å; P810-F833 HydrophobicContact CG-CD2 3.99Å; P810-F833 HydrophobicContact CG-CE2 4.47Å; P810-F833 HydrophobicContact CG-CG 4.05Å; P810-I871 HydrophobicContact CB-CG1 4.33Å
811	Y	89.7	Confident	90.6	Very high	113 Å²	113	59.9 Å²	59.9	44%	0.443	30%	0.303	S	S	.	.	S	Bend	trans	-122	-105.8	177.9	-57.6	-61.4	0	0	0	110.5	A809 P831 P832 F833	A809-Y811 PolarHBondContact O-N 3.41Å; Y811-P831 HydrophobicContact CD2-CG 4.12Å; Y811-P831 HydrophobicContact CE2-CB 4.5Å; Y811-P831 HydrophobicContact CE2-CG 3.86Å; Y811-P831 WeakPolarHBondContact CE2-O 3.25Å; Y811-P832 PolarHBondContact OH-O 3.12Å; Y811-F833 HydrophobicContact CE2-CB 4.19Å; Y811-F833 HydrophobicContact CE2-CD2 4.28Å
812	R	84.4	Confident	90.4	Very high	249 Å²	249	56 Å²	56	94%	0.94	29%	0.289	S	S	*	.	S	Bend	trans	-121.6	-14.7	179.5	-63.8	-173.9	-177.1	-175.3	-0.5	113.5
813	S	88.8	Confident	90.6	Very high	51 Å²	51	51.1 Å²	51.1	36%	0.357	27%	0.27	S	S	.	.	S	Bend	trans	-106.8	144.6	176	46.8	0	0	0	0	109.9	A809 E829	A809-S813 WeakPolarHBondContact CA-O 3.34Å; S813-E829 PolarHBondContact OG-OE2 3.01Å
814	T	91.2	Very high	91.1	Very high	88 Å²	88	43.3 Å²	43.3	54%	0.54	23%	0.229	S	C	.	.			trans	-74.9	124.2	165	-56.8	0	0	0	0	108.3	N807 G808	N807-T814 HydrophobicContact CB-CG2 3.98Å; G808-T814 CarbonylContact O-C 3.48Å; G808-T814 WeakPolarHBondContact O-CA 3.37Å
815	C	91.8	Very high	91.4	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.8	178.9	67.3	0	0	0	0	110.4	G808 P810 L817 N826 E829	G808-C815 PolarHBondContact N-O 2.67Å; G808-C815 PolarHBondContact O-N 2.91Å; G808-C815 VanDerWaalsContact O-O 3.08Å; P810-C815 VanDerWaalsContact CD-SG 3.56Å; C815-L817 PolarHBondContact O-N 3.37Å; C815-N826 WeakPolarHBondContact CB-ND2 3.5Å; C815-E829 WeakPolarHBondContact CB-OE1 3.15Å
816	L	93.4	Very high	91.5	Very high	35 Å²	35	37.5 Å²	37.5	18%	0.183	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.6	175.2	-177.8	66.1	0	0	0	109.9	R802 Q818 N826	R802-L816 HydrophobicContact CG-CD2 4.35Å; L816-Q818 HydrophobicContact CD2-CG 4.1Å; L816-Q818 HydrophobicContact CG-CG 3.91Å; L816-N826 PolarHBondContact O-ND2 2.95Å
817	L	94.5	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128	173.9	-65	164.4	0	0	0	108.5	G805 F806 P810 C815 L824 N826 F833 I871	G805-L817 CarbonylContact C-O 3.5Å; G805-L817 WeakPolarHBondContact CA-O 3.24Å; F806-L817 HydrophobicContact CD2-CB 4.39Å; F806-L817 HydrophobicContact CD2-CD1 4.29Å; F806-L817 HydrophobicContact CE2-CB 4.1Å; F806-L817 HydrophobicContact CE2-CD1 3.67Å; F806-L817 HydrophobicContact CZ-CB 4.21Å; F806-L817 HydrophobicContact CZ-CD1 4.27Å; F806-L817 PolarHBondContact N-O 3.07Å; F806-L817 PolarHBondContact O-N 3.24Å; P810-L817 HydrophobicContact CG-CD2 4.29Å; C815-L817 PolarHBondContact O-N 3.37Å; L817-L824 HydrophobicContact CB-CD1 4.11Å; L817-N826 HydrophobicContact CD2-CB 4.19Å; L817-F833 HydrophobicContact CD2-CD1 3.41Å; L817-F833 VanDerWaalsContact CD2-CD1 3.41Å; L817-F833 HydrophobicContact CD2-CE1 3.84Å; L817-F833 HydrophobicContact CD2-CG 4.16Å; L817-I871 HydrophobicContact CD1-CD1 3.58Å; L817-I871 HydrophobicContact CD1-CG1 4.49Å; L817-I871 HydrophobicContact CD1-CG2 3.43Å; L817-I871 VanDerWaalsContact CD1-CG2 3.43Å; L817-I871 HydrophobicContact CD2-CD1 4.47Å
818	Q	92.9	Very high	91.2	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.9	-174.1	-58.6	-175.1	-103.8	0	0	109.6	P800 L816 V825	P800-Q818 HydrophobicContact CB-CB 3.54Å; P800-Q818 HydrophobicContact CB-CG 4.38Å; L816-Q818 HydrophobicContact CD2-CG 4.1Å; L816-Q818 HydrophobicContact CG-CG 3.91Å; Q818-V825 PolarHBondContact N-O 3.28Å; Q818-V825 WeakPolarHBondContact O-CG2 3.44Å; Q818-V825 PolarHBondContact O-N 3.01Å
819	P	92.3	Very high	90.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.3	172	29.6	-32.4	0	0	0	110.6	F801 L804 A823 W885	F801-P819 VanDerWaalsContact CD2-O 3.27Å; F801-P819 WeakPolarHBondContact CD2-O 3.48Å; F801-P819 PolarHBondContact N-O 3.34Å; L804-P819 HydrophobicContact CB-CG 3.54Å; L804-P819 HydrophobicContact CD1-CG 4.34Å; L804-P819 WeakPolarHBondContact O-CD 3.37Å; P819-A823 CarbonylContact C-O 3.52Å; P819-W885 HydrophobicContact CB-CD2 4.49Å; P819-W885 HydrophobicContact CB-CZ2 3.71Å
820	T	90.1	Very high	90.6	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.037	21%	0.208	C	C	.	.			trans	-116.3	-173.6	165.6	71.7	0	0	0	0	108.7	L708 E798 P800 S822 A823 V825	L708-T820 HydrophobicContact CD2-CG2 4.01Å; E798-T820 HydrophobicContact CB-CG2 4.4Å; E798-T820 WeakPolarHBondContact OE2-CB 3.43Å; E798-T820 PolarHBondContact OE2-OG1 3.41Å; P800-T820 HydrophobicContact CB-CG2 4Å; P800-T820 HydrophobicContact CG-CG2 3.83Å; T820-S822 PolarHBondContact O-N 3.46Å; T820-S822 PolarHBondContact OG1-N 3.44Å; T820-A823 PolarHBondContact N-O 3.36Å; T820-A823 PolarHBondContact OG1-N 2.98Å; T820-A823 PolarHBondContact OG1-O 2.78Å; T820-A823 VanDerWaalsContact OG1-O 3.08Å; T820-V825 HydrophobicContact CG2-CG1 4.36Å; T820-V825 HydrophobicContact CG2-CG2 3.74Å
821	S	85.4	Confident	90.6	Very high	90 Å²	90	44.7 Å²	44.7	63%	0.629	22%	0.224	S	C	*	.	S	Bend	trans	-62.2	-22.9	174.7	37.7	0	0	0	0	114.3	E798	E798-S821 PolarHBondContact OE1-OG 3.16Å
822	S	86.6	Confident	90.7	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.154	21%	0.206	C	C	.	.	S	Bend	trans	-140.5	-3.3	-173.2	68.5	0	0	0	0	114.8	H706 E798 T820 L837	H706-S822 PolarHBondContact CE1-OG 2.93Å; H706-S822 PolarHBondContact ND1-OG 2.93Å; E798-S822 WeakPolarHBondContact OE1-CB 3.42Å; E798-S822 PolarHBondContact OE1-OG 3.15Å; E798-S822 PolarHBondContact OE2-OG 3.45Å; T820-S822 PolarHBondContact O-N 3.46Å; T820-S822 PolarHBondContact OG1-N 3.44Å; S822-L837 PolarHBondContact O-N 2.92Å
823	A	91.3	Very high	91.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.4	-175.1	0	0	0	0	0	113.2	P819 T820 V825 V835	P819-A823 CarbonylContact C-O 3.52Å; T820-A823 PolarHBondContact N-O 3.36Å; T820-A823 PolarHBondContact OG1-N 2.98Å; T820-A823 PolarHBondContact OG1-O 2.78Å; T820-A823 VanDerWaalsContact OG1-O 3.08Å; A823-V825 HydrophobicContact CB-CG1 3.68Å; A823-V835 CarbonylContact C-O 3.59Å; A823-V835 WeakPolarHBondContact CA-O 3.39Å; A823-V835 VanDerWaalsContact CB-O 3.23Å; A823-V835 WeakPolarHBondContact CB-O 3.47Å
824	L	94.2	Very high	91.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.6	163.1	-178.8	65.7	0	0	0	108.7	F806 L817 F833 V835 M857 I871 W885	F806-L824 HydrophobicContact CE1-CD1 4.07Å; F806-L824 HydrophobicContact CZ-CD1 4.18Å; F806-L824 HydrophobicContact CZ-CD2 4.03Å; L817-L824 HydrophobicContact CB-CD1 4.11Å; L824-F833 HydrophobicContact CD2-CE1 4.31Å; L824-F833 HydrophobicContact CG-CE1 4.47Å; L824-V835 HydrophobicContact CB-CB 4.41Å; L824-V835 PolarHBondContact N-O 3.05Å; L824-V835 PolarHBondContact O-N 3.37Å; L824-M857 HydrophobicContact CD2-CE 3.98Å; L824-I871 HydrophobicContact CD2-CD1 3.98Å; L824-W885 HydrophobicContact CB-CH2 4.03Å; L824-W885 HydrophobicContact CD1-CH2 3.88Å; L824-W885 HydrophobicContact CD1-CZ3 4.38Å; L824-W885 HydrophobicContact CD2-CH2 4.15Å; L824-W885 HydrophobicContact CD2-CZ3 4.46Å; L824-W885 HydrophobicContact CG-CH2 4.24Å
825	V	94.4	Very high	91.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.7	-167.2	-52.8	0	0	0	0	113.9	L708 P800 Q818 T820 A823 F833 V834	L708-V825 HydrophobicContact CD1-CB 3.92Å; L708-V825 HydrophobicContact CD1-CG1 3.69Å; L708-V825 HydrophobicContact CD1-CG2 4.05Å; L708-V825 HydrophobicContact CD2-CG1 4.46Å; P800-V825 HydrophobicContact CB-CG2 4.12Å; P800-V825 HydrophobicContact CG-CG2 3.72Å; Q818-V825 PolarHBondContact N-O 3.28Å; Q818-V825 WeakPolarHBondContact O-CG2 3.44Å; Q818-V825 PolarHBondContact O-N 3.01Å; T820-V825 HydrophobicContact CG2-CG1 4.36Å; T820-V825 HydrophobicContact CG2-CG2 3.74Å; A823-V825 HydrophobicContact CB-CG1 3.68Å; V825-F833 CarbonylContact C-O 3.6Å; V825-F833 WeakPolarHBondContact CA-O 3.47Å; V825-V834 HydrophobicContact CG1-CB 4.49Å; V825-V834 HydrophobicContact CG1-CG1 4.13Å; V825-V834 HydrophobicContact CG1-CG2 4.28Å
826	N	94.1	Very high	91.7	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.032	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	109.6	155.4	-179.2	-69.5	0	0	0	107.8	C815 L816 L817 T828 E829 P832 F833	C815-N826 WeakPolarHBondContact CB-ND2 3.5Å; L816-N826 PolarHBondContact O-ND2 2.95Å; L817-N826 HydrophobicContact CD2-CB 4.19Å; N826-T828 PolarHBondContact OD1-N 3.37Å; N826-E829 PolarHBondContact OD1-N 3.06Å; N826-P832 WeakPolarHBondContact O-CA 3.29Å; N826-F833 HydrophobicContact CB-CB 4.1Å; N826-F833 PolarHBondContact N-O 3.22Å; N826-F833 PolarHBondContact O-N 2.62Å
827	A	91.3	Very high	91.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	12%	0.121	C	C	.	.			trans	-101	-7.3	178.4	0	0	0	0	0	113.1	H721 Q739	H721-A827 HydrophobicContact CB-CB 4.08Å; Q739-A827 PolarHBondContact NE2-O 3.23Å
828	T	89.9	Confident	91.2	Very high	24 Å²	24	27.1 Å²	27.1	15%	0.147	15%	0.15	C	C	.	.	S	Bend	trans	-76.7	-42.2	-175.3	-49.9	0	0	0	0	111.5	E715 I717 N826	E715-T828 HydrophobicContact CG-CG2 4.38Å; E715-T828 WeakPolarHBondContact OE2-CG2 3.31Å; I717-T828 HydrophobicContact CD1-CG2 4.01Å; I717-T828 WeakPolarHBondContact CD1-O 3.38Å; I717-T828 HydrophobicContact CG1-CG2 4.11Å; N826-T828 PolarHBondContact OD1-N 3.37Å
829	E	88.1	Confident	91	Very high	75 Å²	75	30.3 Å²	30.3	35%	0.35	17%	0.165	S	C	.	.	S	Bend	trans	-92.3	155.5	178.3	-70.9	-175.1	-148.3	0	0	111.9	S813 C815 N826 P831	S813-E829 PolarHBondContact OG-OE2 3.01Å; C815-E829 WeakPolarHBondContact CB-OE1 3.15Å; N826-E829 PolarHBondContact OD1-N 3.06Å; E829-P831 CarbonylContact O-C 3.57Å
830	W	87.6	Confident	91	Very high	97 Å²	97	30.4 Å²	30.4	37%	0.367	17%	0.166	S	C	.	.	S	Bend	trans	-117.4	128.7	175	-173.7	-87.6	0	0	0	109.8	R668 P669 D737 Q739 P832	R668-W830 HydrophobicContact CB-CD2 3.99Å; R668-W830 HydrophobicContact CB-CE3 3.54Å; R668-W830 HydrophobicContact CB-CH2 4.04Å; R668-W830 HydrophobicContact CB-CZ2 4.41Å; R668-W830 HydrophobicContact CB-CZ3 3.59Å; R668-W830 HydrophobicContact CG-CD2 4.39Å; R668-W830 HydrophobicContact CG-CE3 4.26Å; P669-W830 HydrophobicContact CB-CH2 4.46Å; P669-W830 HydrophobicContact CB-CZ2 4.01Å; D737-W830 HydrophobicContact CB-CH2 4.48Å; Q739-W830 HydrophobicContact CB-CZ3 4.41Å; Q739-W830 HydrophobicContact CG-CE3 4.49Å; Q739-W830 HydrophobicContact CG-CZ3 4.07Å; W830-P832 VanDerWaalsContact CE3-CD 3.47Å; W830-P832 HydrophobicContact CE3-CG 4.18Å; W830-P832 HydrophobicContact CH2-CG 4.49Å; W830-P832 HydrophobicContact CZ3-CG 3.89Å
831	P	90.7	Very high	90.9	Very high	67 Å²	67	30.6 Å²	30.6	44%	0.435	17%	0.166	S	C	.	.	S	Bend	cis	-69.9	147.3	3.1	30.1	-35	0	0	0	112.9	Y811 E829	Y811-P831 HydrophobicContact CD2-CG 4.12Å; Y811-P831 HydrophobicContact CE2-CB 4.5Å; Y811-P831 HydrophobicContact CE2-CG 3.86Å; Y811-P831 WeakPolarHBondContact CE2-O 3.25Å; E829-P831 CarbonylContact O-C 3.57Å
832	P	92.8	Very high	91.1	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.058	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-71.9	147.3	179	30.1	-31.6	0	0	0	109.8	D737 Y811 N826 W830	D737-P832 HydrophobicContact CB-CG 3.72Å; Y811-P832 PolarHBondContact OH-O 3.12Å; N826-P832 WeakPolarHBondContact O-CA 3.29Å; W830-P832 VanDerWaalsContact CE3-CD 3.47Å; W830-P832 HydrophobicContact CE3-CG 4.18Å; W830-P832 HydrophobicContact CH2-CG 4.49Å; W830-P832 HydrophobicContact CZ3-CG 3.89Å
833	F	94.6	Very high	91.5	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	172.9	-174.5	-103.1	0	0	0	108.9	P810 Y811 L817 L824 V825 N826 V835 T869 I871	P810-F833 HydrophobicContact CB-CD1 4.42Å; P810-F833 HydrophobicContact CB-CD2 3.36Å; P810-F833 HydrophobicContact CB-CE1 4.48Å; P810-F833 HydrophobicContact CB-CE2 3.43Å; P810-F833 VanDerWaalsContact CB-CE2 3.43Å; P810-F833 HydrophobicContact CB-CG 3.87Å; P810-F833 HydrophobicContact CB-CZ 4.01Å; P810-F833 HydrophobicContact CG-CB 4.26Å; P810-F833 HydrophobicContact CG-CD2 3.99Å; P810-F833 HydrophobicContact CG-CE2 4.47Å; P810-F833 HydrophobicContact CG-CG 4.05Å; Y811-F833 HydrophobicContact CE2-CB 4.19Å; Y811-F833 HydrophobicContact CE2-CD2 4.28Å; L817-F833 HydrophobicContact CD2-CD1 3.41Å; L817-F833 VanDerWaalsContact CD2-CD1 3.41Å; L817-F833 HydrophobicContact CD2-CE1 3.84Å; L817-F833 HydrophobicContact CD2-CG 4.16Å; L824-F833 HydrophobicContact CD2-CE1 4.31Å; L824-F833 HydrophobicContact CG-CE1 4.47Å; V825-F833 CarbonylContact C-O 3.6Å; V825-F833 WeakPolarHBondContact CA-O 3.47Å; N826-F833 HydrophobicContact CB-CB 4.1Å; N826-F833 PolarHBondContact N-O 3.22Å; N826-F833 PolarHBondContact O-N 2.62Å; F833-V835 HydrophobicContact CD1-CG2 4.44Å; F833-V835 HydrophobicContact CE1-CB 4.5Å; F833-V835 HydrophobicContact CE1-CG2 3.58Å; F833-V835 HydrophobicContact CE2-CG2 4.12Å; F833-V835 HydrophobicContact CZ-CG2 3.4Å; F833-V835 VanDerWaalsContact CZ-CG2 3.4Å; F833-T869 HydrophobicContact CE2-CG2 3.41Å; F833-T869 VanDerWaalsContact CE2-CG2 3.41Å; F833-T869 HydrophobicContact CZ-CG2 3.63Å; F833-I871 HydrophobicContact CE1-CD1 3.52Å; F833-I871 HydrophobicContact CE1-CG1 4.4Å; F833-I871 HydrophobicContact CE2-CD1 4.49Å; F833-I871 HydrophobicContact CZ-CD1 3.44Å; F833-I871 VanDerWaalsContact CZ-CD1 3.44Å; F833-I871 HydrophobicContact CZ-CG1 3.84Å
834	V	94.3	Very high	91.6	Very high	23 Å²	23	25.7 Å²	25.7	14%	0.139	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	121.3	177.1	-179.5	0	0	0	0	108.9	H721 H723 V825	H721-V834 WeakPolarHBondContact NE2-CG2 3.17Å; H723-V834 HydrophobicContact CB-CG1 4.19Å; V825-V834 HydrophobicContact CG1-CB 4.49Å; V825-V834 HydrophobicContact CG1-CG1 4.13Å; V825-V834 HydrophobicContact CG1-CG2 4.28Å
835	V	93.9	Very high	91.6	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.024	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120	173.2	174.9	0	0	0	0	107.9	A823 L824 F833 V840 I859 Y861	A823-V835 CarbonylContact C-O 3.59Å; A823-V835 WeakPolarHBondContact CA-O 3.39Å; A823-V835 VanDerWaalsContact CB-O 3.23Å; A823-V835 WeakPolarHBondContact CB-O 3.47Å; L824-V835 HydrophobicContact CB-CB 4.41Å; L824-V835 PolarHBondContact N-O 3.05Å; L824-V835 PolarHBondContact O-N 3.37Å; F833-V835 HydrophobicContact CD1-CG2 4.44Å; F833-V835 HydrophobicContact CE1-CB 4.5Å; F833-V835 HydrophobicContact CE1-CG2 3.58Å; F833-V835 HydrophobicContact CE2-CG2 4.12Å; F833-V835 HydrophobicContact CZ-CG2 3.4Å; F833-V835 VanDerWaalsContact CZ-CG2 3.4Å; V835-V840 HydrophobicContact CG1-CG2 3.71Å; V835-I859 HydrophobicContact CB-CD1 4.45Å; V835-I859 HydrophobicContact CG1-CD1 4.06Å; V835-I859 HydrophobicContact CG1-CG2 4.1Å; V835-I859 HydrophobicContact CG2-CD1 4Å; V835-Y861 HydrophobicContact CG1-CE1 4.15Å
836	T	93.4	Very high	91.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.8	173.6	-51	0	0	0	0	109.4	K705 H706 D838 E839	K705-T836 VanDerWaalsContact NZ-CB 3.33Å; K705-T836 PolarHBondContact NZ-OG1 2.89Å; H706-T836 WeakPolarHBondContact NE2-CG2 3.4Å; H706-T836 PolarHBondContact NE2-OG1 2.97Å; T836-D838 VanDerWaalsContact C-N 3.34Å; T836-D838 HydrophobicContact CG2-CB 4.26Å; T836-D838 PolarHBondContact O-N 3.26Å; T836-E839 HydrophobicContact CG2-CG 4.36Å; T836-E839 PolarHBondContact O-N 3.3Å; T836-E839 VanDerWaalsContact O-N 3.16Å
837	L	89.9	Confident	91.4	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.068	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-62.9	-40.2	-176.2	-61.1	176.7	0	0	0	111.7	S822 E839 V840 W885 L891	S822-L837 PolarHBondContact O-N 2.92Å; L837-E839 PolarHBondContact O-N 3.44Å; L837-E839 VanDerWaalsContact O-N 3.07Å; L837-V840 VanDerWaalsContact O-CB 3.31Å; L837-V840 WeakPolarHBondContact O-CB 3.3Å; L837-V840 PolarHBondContact O-N 3Å; L837-W885 HydrophobicContact CD1-CZ2 4.06Å; L837-W885 HydrophobicContact CD2-CH2 4.03Å; L837-W885 HydrophobicContact CD2-CZ2 3.86Å; L837-L891 HydrophobicContact CB-CD1 4.36Å; L837-L891 HydrophobicContact CD2-CD1 4.01Å
838	D	87.3	Confident	91.2	Very high	115 Å²	115	31 Å²	31	62%	0.615	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-61.5	-20.3	177.9	-57.4	9.4	0	0	0	114.4	T836 K862	T836-D838 VanDerWaalsContact C-N 3.34Å; T836-D838 HydrophobicContact CG2-CB 4.26Å; T836-D838 PolarHBondContact O-N 3.26Å; D838-K862 WeakPolarHBondContact O-CD 3.38Å; D838-K862 WeakPolarHBondContact O-CE 3.38Å; D838-K862 PolarHBondContact O-NZ 3.12Å
839	E	89.1	Confident	90.9	Very high	69 Å²	69	32.4 Å²	32.4	32%	0.322	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-91.6	-7.5	176.1	-66.4	-172.1	173.9	0	0	113.3	K705 T836 L837 Y861 K862 K866	K705-E839 IonicContact NZ-OE1 2.72Å; K705-E839 PolarHBondContact NZ-OE1 3.15Å; K705-E839 IonicContact NZ-OE2 3.93Å; T836-E839 HydrophobicContact CG2-CG 4.36Å; T836-E839 PolarHBondContact O-N 3.3Å; T836-E839 VanDerWaalsContact O-N 3.16Å; L837-E839 PolarHBondContact O-N 3.44Å; L837-E839 VanDerWaalsContact O-N 3.07Å; E839-Y861 HydrophobicContact CB-CD1 4.27Å; E839-Y861 CarbonylContact O-C 3.46Å; E839-Y861 VanDerWaalsContact O-CA 3.29Å; E839-Y861 WeakPolarHBondContact O-CA 3.33Å; E839-Y861 WeakPolarHBondContact O-CD1 3.37Å; E839-K862 WeakPolarHBondContact O-CG 3.27Å; E839-K862 PolarHBondContact O-N 2.98Å; E839-K866 IonicContact OE2-NZ 3.47Å; E839-K866 PolarHBondContact OE2-NZ 2.92Å
840	V	91.7	Very high	90.5	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.2	176.7	-178.7	0	0	0	0	108.3	V835 L837 I843 I859 K862 L891	V835-V840 HydrophobicContact CG1-CG2 3.71Å; L837-V840 VanDerWaalsContact O-CB 3.31Å; L837-V840 WeakPolarHBondContact O-CB 3.3Å; L837-V840 PolarHBondContact O-N 3Å; V840-I843 HydrophobicContact CG1-CD1 4.2Å; V840-I843 HydrophobicContact CG1-CG1 3.8Å; V840-I859 HydrophobicContact CB-CG2 4.33Å; V840-I859 HydrophobicContact CG1-CG2 3.85Å; V840-I859 HydrophobicContact CG2-CG2 3.62Å; V840-K862 VanDerWaalsContact O-CE 3.26Å; V840-K862 WeakPolarHBondContact O-CE 3.48Å; V840-L891 HydrophobicContact CB-CD2 4.11Å; V840-L891 HydrophobicContact CG1-CD2 4.24Å
841	E	88.4	Confident	90.3	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-54.7	171	-171.4	78.1	-168.4	0	0	109.1	L485 A489 R492 V860 K862 Y864	L485-E841 HydrophobicContact CD1-CG 4.35Å; L485-E841 WeakPolarHBondContact CD1-O 3.29Å; L485-E841 HydrophobicContact CD2-CG 4.06Å; L485-E841 WeakPolarHBondContact CD2-OE1 3.49Å; L485-E841 HydrophobicContact CG-CG 4.26Å; L485-E841 WeakPolarHBondContact CG-OE1 3.19Å; A489-E841 WeakPolarHBondContact CB-OE1 3.23Å; R492-E841 IonicContact CZ-OE2 2.96Å; R492-E841 IonicContact NH1-OE2 2.68Å; R492-E841 PolarHBondContact NH1-OE2 3Å; R492-E841 IonicContact NH2-OE1 2.82Å; R492-E841 IonicContact NH2-OE2 2.88Å; R492-E841 PolarHBondContact NH2-OE2 3.44Å; E841-V860 PolarHBondContact N-O 3.25Å; E841-K862 HydrophobicContact CB-CG 4.25Å; E841-K862 WeakPolarHBondContact OE2-CA 3.29Å; E841-K862 WeakPolarHBondContact OE2-CG 3.3Å; E841-Y864 HydrophobicContact CG-CE1 4.26Å
842	L	90.4	Very high	90.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.3	-171.7	172.3	74.3	0	0	0	109.8	V860 K892 T894 W922 L925	L842-V860 HydrophobicContact CB-CB 4.34Å; L842-V860 PolarHBondContact N-O 3.39Å; L842-V860 PolarHBondContact O-N 2.84Å; L842-K892 HydrophobicContact CD1-CB 4.04Å; L842-K892 HydrophobicContact CD1-CG 3.56Å; L842-K892 WeakPolarHBondContact CD1-O 3.34Å; L842-T894 HydrophobicContact CD1-CG2 4.22Å; L842-W922 HydrophobicContact CD2-CB 4.32Å; L842-W922 HydrophobicContact CD2-CD2 3.78Å; L842-W922 HydrophobicContact CD2-CE3 3.68Å; L842-W922 HydrophobicContact CD2-CG 4.1Å; L842-W922 HydrophobicContact CD2-CZ3 4.29Å; L842-L925 HydrophobicContact CD2-CD1 3.44Å; L842-L925 VanDerWaalsContact CD2-CD1 3.44Å
843	I	93.6	Very high	90	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.9	167.9	-66.8	172.2	0	0	0	110.2	V840 F845 M857 V858 I859 L886 L891 K892 Y893 T894	V840-I843 HydrophobicContact CG1-CD1 4.2Å; V840-I843 HydrophobicContact CG1-CG1 3.8Å; I843-F845 HydrophobicContact CG2-CD1 4.42Å; I843-F845 HydrophobicContact CG2-CE1 3.97Å; I843-F845 HydrophobicContact CG2-CZ 4.16Å; I843-M857 HydrophobicContact CG2-CG 3.41Å; I843-M857 VanDerWaalsContact CG2-CG 3.41Å; I843-M857 HydrophobicContact CG2-SD 3.77Å; I843-V858 CarbonylContact C-O 3.55Å; I843-V858 VanDerWaalsContact CA-O 3.3Å; I843-V858 WeakPolarHBondContact CA-O 3.24Å; I843-I859 HydrophobicContact CG1-CG1 4.38Å; I843-L886 HydrophobicContact CB-CD1 4.08Å; I843-L886 HydrophobicContact CD1-CD1 3.64Å; I843-L886 HydrophobicContact CD1-CD2 3.36Å; I843-L886 HydrophobicContact CD1-CG 4.13Å; I843-L886 HydrophobicContact CG1-CD1 4.45Å; I843-L886 HydrophobicContact CG2-CD1 3.93Å; I843-L891 HydrophobicContact CD1-CD1 4.35Å; I843-K892 PolarHBondContact N-O 2.96Å; I843-K892 VanDerWaalsContact N-O 3.11Å; I843-Y893 CarbonylContact O-C 3.53Å; I843-Y893 WeakPolarHBondContact O-CA 3.43Å; I843-Y893 WeakPolarHBondContact O-CB 3.42Å; I843-T894 PolarHBondContact O-N 3.33Å
844	H	94	Very high	89.9	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.3	175.4	-174.3	67.4	0	0	0	110.6	E846 V858 T894 W902	H844-E846 VanDerWaalsContact CD2-CG 3.49Å; H844-E846 WeakPolarHBondContact CD2-CG 3.45Å; H844-V858 HydrophobicContact CB-CB 4.31Å; H844-V858 PolarHBondContact N-O 2.94Å; H844-V858 PolarHBondContact O-N 3.32Å; H844-T894 CarbonylContact C-O 3.37Å; H844-T894 WeakPolarHBondContact CA-O 3.26Å; H844-T894 PolarHBondContact ND1-OG1 3.34Å; H844-W902 HydrophobicContact CB-CH2 3.94Å; H844-W902 HydrophobicContact CB-CZ2 3.77Å; H844-W902 AromaticContact CD2-CZ2 3.64Å; H844-W902 AromaticContact CG-CZ2 3.88Å
845	F	94.9	Very high	89.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.6	173.6	-59	-58	0	0	0	110.2	I843 V848 F855 D856 M857 L879 I882 K883 L886 Y893 T894 E895 G896	I843-F845 HydrophobicContact CG2-CD1 4.42Å; I843-F845 HydrophobicContact CG2-CE1 3.97Å; I843-F845 HydrophobicContact CG2-CZ 4.16Å; F845-V848 HydrophobicContact CB-CG2 3.54Å; F845-F855 HydrophobicContact CB-CD2 4.29Å; F845-F855 AromaticContact CD1-CD2 3.9Å; F845-F855 HydrophobicContact CD1-CD2 3.9Å; F845-F855 AromaticContact CD1-CE2 3.5Å; F845-F855 HydrophobicContact CD1-CE2 3.5Å; F845-F855 VanDerWaalsContact CD1-CE2 3.5Å; F845-F855 AromaticContact CE1-CE2 3.86Å; F845-F855 HydrophobicContact CE1-CE2 3.86Å; F845-F855 HydrophobicContact CG-CD2 4.39Å; F845-F855 HydrophobicContact CG-CE2 4.26Å; F845-D856 CarbonylContact C-O 3.45Å; F845-D856 VanDerWaalsContact CA-O 3.29Å; F845-D856 WeakPolarHBondContact CA-O 3.35Å; F845-M857 HydrophobicContact CD1-CB 4.01Å; F845-M857 HydrophobicContact CD1-CG 3.95Å; F845-M857 HydrophobicContact CE1-CB 4.12Å; F845-M857 HydrophobicContact CE1-CG 3.71Å; F845-M857 HydrophobicContact CE1-SD 3.79Å; F845-L879 HydrophobicContact CD1-CD1 4.5Å; F845-L879 HydrophobicContact CD2-CD1 4.2Å; F845-L879 HydrophobicContact CE2-CD1 4.44Å; F845-L879 HydrophobicContact CG-CD1 4.22Å; F845-I882 HydrophobicContact CE1-CG2 3.98Å; F845-I882 HydrophobicContact CZ-CG2 3.76Å; F845-K883 HydrophobicContact CE2-CG 3.93Å; F845-L886 HydrophobicContact CE1-CD1 4.46Å; F845-L886 HydrophobicContact CE2-CD1 4.32Å; F845-L886 HydrophobicContact CZ-CD1 3.63Å; F845-Y893 HydrophobicContact CD2-CD2 4.16Å; F845-Y893 AromaticContact CE2-CD2 3.73Å; F845-Y893 HydrophobicContact CE2-CD2 3.73Å; F845-Y893 AromaticContact CE2-CG 3.87Å; F845-Y893 HydrophobicContact CE2-CG 3.87Å; F845-T894 PolarHBondContact N-O 3.14Å; F845-E895 HydrophobicContact CB-CB 4.31Å; F845-E895 CarbonylContact O-C 3.57Å; F845-E895 WeakPolarHBondContact O-CA 3.35Å; F845-G896 PolarHBondContact O-N 2.74Å
846	E	92.8	Very high	90	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	154.5	176.4	-65.2	-173.4	165.5	0	0	111.3	H844 V848 F855 D856 V858 G896 S899 L900 W902	H844-E846 VanDerWaalsContact CD2-CG 3.49Å; H844-E846 WeakPolarHBondContact CD2-CG 3.45Å; E846-V848 PolarHBondContact O-N 3.37Å; E846-F855 WeakPolarHBondContact O-CB 3.46Å; E846-D856 HydrophobicContact CB-CB 4.36Å; E846-D856 PolarHBondContact N-O 2.81Å; E846-D856 PolarHBondContact O-N 3.34Å; E846-V858 HydrophobicContact CG-CG2 3.9Å; E846-G896 CarbonylContact C-O 3.3Å; E846-G896 WeakPolarHBondContact CA-O 3.38Å; E846-S899 VanDerWaalsContact CD-CA 3.49Å; E846-S899 VanDerWaalsContact OE2-CA 3.27Å; E846-S899 WeakPolarHBondContact OE2-CA 3.47Å; E846-S899 WeakPolarHBondContact OE2-CB 3.47Å; E846-S899 PolarHBondContact OE2-OG 2.96Å; E846-L900 PolarHBondContact OE1-N 3.12Å; E846-W902 PolarHBondContact OE1-NE1 3.42Å
847	R	90.2	Very high	90.1	Very high	84 Å²	84	51.2 Å²	51.2	32%	0.317	24%	0.24	S	C	.	.			trans	60.8	31	176.9	-49	-171.1	-67.8	153.5	-5.4	112.9	Q849 L852 D856 G896	R847-Q849 PolarHBondContact O-N 3.23Å; R847-L852 HydrophobicContact CB-CD1 3.84Å; R847-L852 WeakPolarHBondContact O-CD1 3.43Å; R847-D856 IonicContact CZ-OD1 2.99Å; R847-D856 IonicContact CZ-OD2 3.78Å; R847-D856 IonicContact NE-OD1 2.71Å; R847-D856 IonicContact NE-OD2 2.75Å; R847-D856 PolarHBondContact NE-OD2 3.09Å; R847-D856 IonicContact NH2-OD1 3Å; R847-D856 PolarHBondContact NH2-OD1 3.44Å; R847-D856 IonicContact NH2-OD2 3.66Å; R847-D856 PolarHBondContact NH2-OD2 2.98Å; R847-G896 PolarHBondContact N-O 3.11Å
848	V	87.8	Confident	90.3	Very high	35 Å²	35	50.6 Å²	50.6	21%	0.212	24%	0.237	C	C	.	.			trans	-75.8	93.5	172.3	-175.3	0	0	0	0	108.1	F845 E846 F855 L879 E895 G896	F845-V848 HydrophobicContact CB-CG2 3.54Å; E846-V848 PolarHBondContact O-N 3.37Å; V848-F855 HydrophobicContact CG2-CB 4.09Å; V848-F855 HydrophobicContact CG2-CG 4.49Å; V848-L879 HydrophobicContact CG1-CD2 3.82Å; V848-E895 HydrophobicContact CG2-CB 4.34Å; V848-G896 PolarHBondContact N-O 3.07Å
849	Q	84.4	Confident	90.7	Very high	53 Å²	53	45.2 Å²	45.2	25%	0.248	21%	0.208	C	C	.	.			trans	-136.3	139.1	-179.4	-65.1	173.8	15.9	0	0	109.8	R847 H851 L852 V897	R847-Q849 PolarHBondContact O-N 3.23Å; Q849-H851 PolarHBondContact O-N 3.33Å; Q849-H851 PolarHBondContact OE1-CE1 3.33Å; Q849-H851 PolarHBondContact OE1-NE2 3.41Å; Q849-L852 HydrophobicContact CB-CB 4.36Å; Q849-L852 HydrophobicContact CB-CD1 4Å; Q849-L852 HydrophobicContact CB-CG 4.04Å; Q849-L852 HydrophobicContact CG-CD1 4.2Å; Q849-L852 PolarHBondContact O-N 3.13Å; Q849-V897 HydrophobicContact CG-CG1 3.74Å; Q849-V897 PolarHBondContact NE2-O 3.26Å
850	F	78.7	Confident	90.8	Very high	221 Å²	221	42 Å²	42	97%	0.969	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.1	-176.3	-175.4	-98.9	0	0	0	114.2
851	H	84.3	Confident	90.9	Very high	144 Å²	144	42.2 Å²	42.2	67%	0.667	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.1	179.9	64.7	69.1	0	0	0	114.3	Q849	Q849-H851 PolarHBondContact O-N 3.33Å; Q849-H851 PolarHBondContact OE1-CE1 3.33Å; Q849-H851 PolarHBondContact OE1-NE2 3.41Å
852	L	86.4	Confident	90.9	Very high	57 Å²	57	45.3 Å²	45.3	30%	0.298	21%	0.207	S	C	.	.			trans	-90.2	137.8	175.4	-68	178.5	0	0	0	109.5	R847 Q849 V876	R847-L852 HydrophobicContact CB-CD1 3.84Å; R847-L852 WeakPolarHBondContact O-CD1 3.43Å; Q849-L852 HydrophobicContact CB-CB 4.36Å; Q849-L852 HydrophobicContact CB-CD1 4Å; Q849-L852 HydrophobicContact CB-CG 4.04Å; Q849-L852 HydrophobicContact CG-CD1 4.2Å; Q849-L852 PolarHBondContact O-N 3.13Å; L852-V876 WeakPolarHBondContact O-CG2 3.37Å
853	K	90.2	Very high	90.6	Very high	184 Å²	184	49.3 Å²	49.3	80%	0.8	23%	0.228	S	C	*	.	S	Bend	trans	-81	-22.4	177.3	-67.3	-174.2	178.8	-177.9	0	112.8	V876	K853-V876 WeakPolarHBondContact O-CG2 3.43Å; K853-V876 PolarHBondContact O-N 3.34Å
854	N	93.1	Very high	90.2	Very high	68 Å²	68	49.8 Å²	49.8	36%	0.364	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147	-175.1	-53.2	-13.1	0	0	0	109.7	I874	N854-I874 CarbonylContact C-O 3.49Å; N854-I874 WeakPolarHBondContact CA-O 3.49Å; N854-I874 WeakPolarHBondContact CB-O 3.35Å
855	F	94.6	Very high	89.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	171.7	171.5	68.9	-84.4	0	0	0	109.7	F845 E846 V848 A873 I874 P875 V876 L879 I882	F845-F855 HydrophobicContact CB-CD2 4.29Å; F845-F855 AromaticContact CD1-CD2 3.9Å; F845-F855 HydrophobicContact CD1-CD2 3.9Å; F845-F855 AromaticContact CD1-CE2 3.5Å; F845-F855 HydrophobicContact CD1-CE2 3.5Å; F845-F855 VanDerWaalsContact CD1-CE2 3.5Å; F845-F855 AromaticContact CE1-CE2 3.86Å; F845-F855 HydrophobicContact CE1-CE2 3.86Å; F845-F855 HydrophobicContact CG-CD2 4.39Å; F845-F855 HydrophobicContact CG-CE2 4.26Å; E846-F855 WeakPolarHBondContact O-CB 3.46Å; V848-F855 HydrophobicContact CG2-CB 4.09Å; V848-F855 HydrophobicContact CG2-CG 4.49Å; F855-A873 PolarHBondContact O-N 3.43Å; F855-I874 HydrophobicContact CD1-CB 4.27Å; F855-I874 HydrophobicContact CD1-CG2 4.41Å; F855-I874 WeakPolarHBondContact CD1-O 3.31Å; F855-I874 HydrophobicContact CD2-CB 4.43Å; F855-I874 HydrophobicContact CE1-CB 3.9Å; F855-I874 HydrophobicContact CE1-CG2 3.59Å; F855-I874 HydrophobicContact CE2-CB 4.06Å; F855-I874 HydrophobicContact CE2-CD1 4Å; F855-I874 HydrophobicContact CE2-CG2 4.12Å; F855-I874 HydrophobicContact CZ-CB 3.8Å; F855-I874 HydrophobicContact CZ-CD1 4.33Å; F855-I874 HydrophobicContact CZ-CG2 3.42Å; F855-I874 VanDerWaalsContact CZ-CG2 3.42Å; F855-I874 PolarHBondContact N-O 2.84Å; F855-I874 PolarHBondContact O-N 2.72Å; F855-P875 WeakPolarHBondContact CE1-O 3.44Å; F855-V876 HydrophobicContact CD1-CG2 3.99Å; F855-L879 HydrophobicContact CD1-CB 4.39Å; F855-L879 HydrophobicContact CD1-CD1 4.25Å; F855-L879 HydrophobicContact CD2-CD1 4.12Å; F855-L879 HydrophobicContact CE1-CB 3.72Å; F855-L879 HydrophobicContact CE1-CD1 3.86Å; F855-L879 HydrophobicContact CE1-CG 4.37Å; F855-L879 HydrophobicContact CE2-CD1 3.74Å; F855-L879 HydrophobicContact CG-CD1 4.36Å; F855-L879 HydrophobicContact CZ-CB 4.06Å; F855-L879 HydrophobicContact CZ-CD1 3.58Å; F855-L879 HydrophobicContact CZ-CG 4.45Å; F855-I882 HydrophobicContact CZ-CD1 4.05Å
856	D	94.6	Very high	89	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.043	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.8	174.4	-60.7	-22.3	0	0	0	110.7	F845 E846 R847 I871 N872 A873	F845-D856 CarbonylContact C-O 3.45Å; F845-D856 VanDerWaalsContact CA-O 3.29Å; F845-D856 WeakPolarHBondContact CA-O 3.35Å; E846-D856 HydrophobicContact CB-CB 4.36Å; E846-D856 PolarHBondContact N-O 2.81Å; E846-D856 PolarHBondContact O-N 3.34Å; R847-D856 IonicContact CZ-OD1 2.99Å; R847-D856 IonicContact CZ-OD2 3.78Å; R847-D856 IonicContact NE-OD1 2.71Å; R847-D856 IonicContact NE-OD2 2.75Å; R847-D856 PolarHBondContact NE-OD2 3.09Å; R847-D856 IonicContact NH2-OD1 3Å; R847-D856 PolarHBondContact NH2-OD1 3.44Å; R847-D856 IonicContact NH2-OD2 3.66Å; R847-D856 PolarHBondContact NH2-OD2 2.98Å; D856-I871 CarbonylContact C-O 3.55Å; D856-I871 WeakPolarHBondContact CA-O 3.37Å; D856-N872 WeakPolarHBondContact OD1-CA 3.37Å; D856-A873 PolarHBondContact OD1-N 3.15Å
857	M	94.9	Very high	88.7	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.5	176.7	-178.1	177.7	63.7	0	0	109.8	F806 L824 I843 F845 I859 M870 I871 I874 I882	F806-M857 HydrophobicContact CE2-CE 4.39Å; F806-M857 HydrophobicContact CZ-CE 4.11Å; L824-M857 HydrophobicContact CD2-CE 3.98Å; I843-M857 HydrophobicContact CG2-CG 3.41Å; I843-M857 VanDerWaalsContact CG2-CG 3.41Å; I843-M857 HydrophobicContact CG2-SD 3.77Å; F845-M857 HydrophobicContact CD1-CB 4.01Å; F845-M857 HydrophobicContact CD1-CG 3.95Å; F845-M857 HydrophobicContact CE1-CB 4.12Å; F845-M857 HydrophobicContact CE1-CG 3.71Å; F845-M857 HydrophobicContact CE1-SD 3.79Å; M857-I859 HydrophobicContact CE-CD1 4.18Å; M857-I859 HydrophobicContact CE-CG1 4.47Å; M857-M870 CarbonylContact O-C 3.53Å; M857-I871 HydrophobicContact CB-CB 4.38Å; M857-I871 HydrophobicContact CE-CB 4.22Å; M857-I871 HydrophobicContact CE-CD1 3.39Å; M857-I871 HydrophobicContact CE-CG1 4.01Å; M857-I871 PolarHBondContact N-O 3.35Å; M857-I871 PolarHBondContact O-N 3.1Å; M857-I874 HydrophobicContact CB-CD1 3.54Å; M857-I874 HydrophobicContact CE-CD1 4.32Å; M857-I882 HydrophobicContact SD-CG2 4.42Å
858	V	94.9	Very high	88.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.1	178.3	-171.3	0	0	0	0	109.1	I843 H844 E846 V868 M870 W902	I843-V858 CarbonylContact C-O 3.55Å; I843-V858 VanDerWaalsContact CA-O 3.3Å; I843-V858 WeakPolarHBondContact CA-O 3.24Å; H844-V858 HydrophobicContact CB-CB 4.31Å; H844-V858 PolarHBondContact N-O 2.94Å; H844-V858 PolarHBondContact O-N 3.32Å; E846-V858 HydrophobicContact CG-CG2 3.9Å; V858-V868 HydrophobicContact CG1-CB 4.03Å; V858-V868 HydrophobicContact CG1-CG2 4.17Å; V858-M870 HydrophobicContact CB-SD 3.83Å; V858-M870 HydrophobicContact CG1-SD 3.46Å; V858-M870 WeakPolarHBondContact CG1-SD 3.47Å; V858-M870 HydrophobicContact CG2-CE 3.4Å; V858-M870 HydrophobicContact CG2-SD 3.31Å; V858-M870 WeakPolarHBondContact CG2-SD 3.45Å; V858-W902 HydrophobicContact CB-CZ2 4.2Å; V858-W902 HydrophobicContact CG1-CD2 3.99Å; V858-W902 HydrophobicContact CG1-CG 4.26Å; V858-W902 HydrophobicContact CG1-CZ2 4.03Å; V858-W902 HydrophobicContact CG2-CZ2 4.39Å
859	I	95	Very high	89.1	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.3	-179.2	-54.7	177.6	0	0	0	108.2	V835 V840 I843 M857 Y861 V868 T869 I871	V835-I859 HydrophobicContact CB-CD1 4.45Å; V835-I859 HydrophobicContact CG1-CD1 4.06Å; V835-I859 HydrophobicContact CG1-CG2 4.1Å; V835-I859 HydrophobicContact CG2-CD1 4Å; V840-I859 HydrophobicContact CB-CG2 4.33Å; V840-I859 HydrophobicContact CG1-CG2 3.85Å; V840-I859 HydrophobicContact CG2-CG2 3.62Å; I843-I859 HydrophobicContact CG1-CG1 4.38Å; M857-I859 HydrophobicContact CE-CD1 4.18Å; M857-I859 HydrophobicContact CE-CG1 4.47Å; I859-Y861 HydrophobicContact CG2-CE1 4.15Å; I859-V868 WeakPolarHBondContact O-CA 3.01Å; I859-T869 PolarHBondContact N-O 3.48Å; I859-T869 PolarHBondContact O-N 3.33Å; I859-I871 HydrophobicContact CD1-CD1 4.25Å
860	V	92.7	Very high	89.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.7	174.1	-174.6	0	0	0	0	108.6	E841 L842 V868 W902 M906 W922	E841-V860 PolarHBondContact N-O 3.25Å; L842-V860 HydrophobicContact CB-CB 4.34Å; L842-V860 PolarHBondContact N-O 3.39Å; L842-V860 PolarHBondContact O-N 2.84Å; V860-V868 HydrophobicContact CG2-CG1 4.1Å; V860-W902 HydrophobicContact CG2-CE3 4.22Å; V860-W902 HydrophobicContact CG2-CH2 4.14Å; V860-W902 HydrophobicContact CG2-CZ3 3.7Å; V860-M906 HydrophobicContact CG1-CE 4.21Å; V860-M906 HydrophobicContact CG1-SD 4.12Å; V860-W922 HydrophobicContact CG1-CH2 3.75Å; V860-W922 HydrophobicContact CG1-CZ2 3.85Å; V860-W922 HydrophobicContact CG2-CH2 4.47Å
861	Y	93.4	Very high	90.3	Very high	9 Å²	9	53.3 Å²	53.3	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	155	-177.4	-63.8	-74.6	0	0	0	112.1	V835 E839 I859 D863 Y864 K866 K867 T869	V835-Y861 HydrophobicContact CG1-CE1 4.15Å; E839-Y861 HydrophobicContact CB-CD1 4.27Å; E839-Y861 CarbonylContact O-C 3.46Å; E839-Y861 VanDerWaalsContact O-CA 3.29Å; E839-Y861 WeakPolarHBondContact O-CA 3.33Å; E839-Y861 WeakPolarHBondContact O-CD1 3.37Å; I859-Y861 HydrophobicContact CG2-CE1 4.15Å; Y861-D863 PolarHBondContact O-N 3.28Å; Y861-Y864 WeakPolarHBondContact O-CD1 3.47Å; Y861-K866 HydrophobicContact CD1-CD 4.12Å; Y861-K866 HydrophobicContact CD2-CB 4.23Å; Y861-K866 HydrophobicContact CD2-CD 3.54Å; Y861-K866 HydrophobicContact CD2-CG 3.72Å; Y861-K866 VanDerWaalsContact CE1-NZ 3.29Å; Y861-K866 HydrophobicContact CE2-CD 4.01Å; Y861-K866 HydrophobicContact CE2-CG 4.21Å; Y861-K866 HydrophobicContact CG-CD 3.6Å; Y861-K866 HydrophobicContact CG-CG 4.22Å; Y861-K867 WeakPolarHBondContact CD2-O 3.33Å; Y861-K867 WeakPolarHBondContact CE2-O 3.35Å; Y861-T869 WeakPolarHBondContact CE2-OG1 3.31Å; Y861-T869 WeakPolarHBondContact OH-CB 3.48Å; Y861-T869 PolarHBondContact OH-OG1 3Å
862	K	88.1	Confident	90.7	Very high	74 Å²	74	49.1 Å²	49.1	32%	0.322	25%	0.245	S	C	.	.	S	Bend	trans	-57.3	-31.4	174.2	-59.8	-163.9	168.1	169.9	0	113.1	R492 D838 E839 V840 E841	R492-K862 PolarHBondContact NH2-O 2.88Å; D838-K862 WeakPolarHBondContact O-CD 3.38Å; D838-K862 WeakPolarHBondContact O-CE 3.38Å; D838-K862 PolarHBondContact O-NZ 3.12Å; E839-K862 WeakPolarHBondContact O-CG 3.27Å; E839-K862 PolarHBondContact O-N 2.98Å; V840-K862 VanDerWaalsContact O-CE 3.26Å; V840-K862 WeakPolarHBondContact O-CE 3.48Å; E841-K862 HydrophobicContact CB-CG 4.25Å; E841-K862 WeakPolarHBondContact OE2-CA 3.29Å; E841-K862 WeakPolarHBondContact OE2-CG 3.3Å
863	D	85	Confident	91	Very high	87 Å²	87	47.8 Å²	47.8	47%	0.465	24%	0.242	S	C	.	.	S	Bend	trans	-86.8	102	170.2	177.8	3.2	0	0	0	109.9	Y861 S865 K866	Y861-D863 PolarHBondContact O-N 3.28Å; D863-S865 VanDerWaalsContact CG-OG 3.27Å; D863-S865 PolarHBondContact O-N 3.45Å; D863-S865 VanDerWaalsContact O-N 3.15Å; D863-S865 VanDerWaalsContact OD1-CB 3.3Å; D863-S865 WeakPolarHBondContact OD1-CB 3.33Å; D863-S865 PolarHBondContact OD1-N 2.92Å; D863-S865 PolarHBondContact OD1-OG 3.22Å; D863-S865 PolarHBondContact OD2-OG 3.42Å; D863-K866 HydrophobicContact CB-CB 4.31Å; D863-K866 VanDerWaalsContact O-CB 3.24Å; D863-K866 WeakPolarHBondContact O-CB 3.41Å; D863-K866 PolarHBondContact O-N 3.21Å
864	Y	83.8	Confident	91.2	Very high	14 Å²	14	39 Å²	39	6%	0.055	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.4	-178.5	-63.8	-10.1	0	0	0	113.9	L493 E841 Y861 K866 M906 I909 V910 W922	L493-Y864 HydrophobicContact CD1-CD2 3.95Å; L493-Y864 HydrophobicContact CD1-CE2 3.58Å; E841-Y864 HydrophobicContact CG-CE1 4.26Å; Y861-Y864 WeakPolarHBondContact O-CD1 3.47Å; Y864-K866 VanDerWaalsContact C-N 3.31Å; Y864-M906 HydrophobicContact CD1-CE 3.97Å; Y864-M906 HydrophobicContact CG-CE 4.01Å; Y864-M906 WeakPolarHBondContact O-CE 3.27Å; Y864-I909 HydrophobicContact CD2-CG2 3.45Å; Y864-I909 VanDerWaalsContact CD2-CG2 3.45Å; Y864-I909 HydrophobicContact CE2-CG2 3.63Å; Y864-I909 HydrophobicContact CG-CG2 4.36Å; Y864-V910 WeakPolarHBondContact O-CG2 3.4Å; Y864-W922 HydrophobicContact CE1-CZ2 4Å; Y864-W922 AromaticContact CZ-CZ2 3.93Å; Y864-W922 PolarHBondContact OH-NE1 3.2Å; Y864-W922 VanDerWaalsContact OH-NE1 3.16Å
865	S	78.9	Confident	91.2	Very high	94 Å²	94	37.8 Å²	37.8	66%	0.657	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.5	171.9	79.1	0	0	0	0	112.8	D863	D863-S865 VanDerWaalsContact CG-OG 3.27Å; D863-S865 PolarHBondContact O-N 3.45Å; D863-S865 VanDerWaalsContact O-N 3.15Å; D863-S865 VanDerWaalsContact OD1-CB 3.3Å; D863-S865 WeakPolarHBondContact OD1-CB 3.33Å; D863-S865 PolarHBondContact OD1-N 2.92Å; D863-S865 PolarHBondContact OD1-OG 3.22Å; D863-S865 PolarHBondContact OD2-OG 3.42Å
866	K	84.4	Confident	91	Very high	73 Å²	73	40.4 Å²	40.4	32%	0.317	22%	0.215	S	C	.	.	S	Bend	trans	-77.3	132.6	175.2	-169.1	174.8	172.5	-168.9	0	109.2	E839 Y861 D863 Y864	E839-K866 IonicContact OE2-NZ 3.47Å; E839-K866 PolarHBondContact OE2-NZ 2.92Å; Y861-K866 HydrophobicContact CD1-CD 4.12Å; Y861-K866 HydrophobicContact CD2-CB 4.23Å; Y861-K866 HydrophobicContact CD2-CD 3.54Å; Y861-K866 HydrophobicContact CD2-CG 3.72Å; Y861-K866 VanDerWaalsContact CE1-NZ 3.29Å; Y861-K866 HydrophobicContact CE2-CD 4.01Å; Y861-K866 HydrophobicContact CE2-CG 4.21Å; Y861-K866 HydrophobicContact CG-CD 3.6Å; Y861-K866 HydrophobicContact CG-CG 4.22Å; D863-K866 HydrophobicContact CB-CB 4.31Å; D863-K866 VanDerWaalsContact O-CB 3.24Å; D863-K866 WeakPolarHBondContact O-CB 3.41Å; D863-K866 PolarHBondContact O-N 3.21Å; Y864-K866 VanDerWaalsContact C-N 3.31Å
867	K	87.7	Confident	90.9	Very high	185 Å²	185	44.2 Å²	44.2	80%	0.804	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-62.6	141.6	175.5	-66.8	-173.7	177.1	-171.3	0	110.3	Y861	Y861-K867 WeakPolarHBondContact CD2-O 3.33Å; Y861-K867 WeakPolarHBondContact CE2-O 3.35Å
868	V	92.1	Very high	90.7	Very high	32 Å²	32	45.6 Å²	45.6	19%	0.194	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.9	150.1	172.3	-58.2	0	0	0	0	110.9	V858 I859 V860 M870 W902 M906	V858-V868 HydrophobicContact CG1-CB 4.03Å; V858-V868 HydrophobicContact CG1-CG2 4.17Å; I859-V868 WeakPolarHBondContact O-CA 3.01Å; V860-V868 HydrophobicContact CG2-CG1 4.1Å; V868-M870 HydrophobicContact CG2-SD 4.46Å; V868-W902 HydrophobicContact CG1-CB 4.37Å; V868-W902 HydrophobicContact CG1-CE3 4.24Å; V868-W902 HydrophobicContact CG2-CB 3.6Å; V868-W902 HydrophobicContact CG2-CG 3.97Å; V868-M906 HydrophobicContact CG1-CG 3.93Å; V868-M906 HydrophobicContact CG1-SD 4.23Å
869	T	93.7	Very high	90.5	Very high	33 Å²	33	46.2 Å²	46.2	20%	0.202	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.4	176.6	-67.3	0	0	0	0	109.2	F833 I859 Y861	F833-T869 HydrophobicContact CE2-CG2 3.41Å; F833-T869 VanDerWaalsContact CE2-CG2 3.41Å; F833-T869 HydrophobicContact CZ-CG2 3.63Å; I859-T869 PolarHBondContact N-O 3.48Å; I859-T869 PolarHBondContact O-N 3.33Å; Y861-T869 WeakPolarHBondContact CE2-OG1 3.31Å; Y861-T869 WeakPolarHBondContact OH-CB 3.48Å; Y861-T869 PolarHBondContact OH-OG1 3Å
870	M	93	Very high	90.2	Very high	55 Å²	55	50.5 Å²	50.5	27%	0.271	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.9	179.7	-55.4	-70.3	-69.1	0	0	109.8	M857 V858 V868	M857-M870 CarbonylContact O-C 3.53Å; V858-M870 HydrophobicContact CB-SD 3.83Å; V858-M870 HydrophobicContact CG1-SD 3.46Å; V858-M870 WeakPolarHBondContact CG1-SD 3.47Å; V858-M870 HydrophobicContact CG2-CE 3.4Å; V858-M870 HydrophobicContact CG2-SD 3.31Å; V858-M870 WeakPolarHBondContact CG2-SD 3.45Å; V868-M870 HydrophobicContact CG2-SD 4.46Å
871	I	95.1	Very high	90.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	111.1	168.6	-52.4	-166.9	0	0	0	107.8	P810 L817 L824 F833 D856 M857 I859 I874	P810-I871 HydrophobicContact CB-CG1 4.33Å; L817-I871 HydrophobicContact CD1-CD1 3.58Å; L817-I871 HydrophobicContact CD1-CG1 4.49Å; L817-I871 HydrophobicContact CD1-CG2 3.43Å; L817-I871 VanDerWaalsContact CD1-CG2 3.43Å; L817-I871 HydrophobicContact CD2-CD1 4.47Å; L824-I871 HydrophobicContact CD2-CD1 3.98Å; F833-I871 HydrophobicContact CE1-CD1 3.52Å; F833-I871 HydrophobicContact CE1-CG1 4.4Å; F833-I871 HydrophobicContact CE2-CD1 4.49Å; F833-I871 HydrophobicContact CZ-CD1 3.44Å; F833-I871 VanDerWaalsContact CZ-CD1 3.44Å; F833-I871 HydrophobicContact CZ-CG1 3.84Å; D856-I871 CarbonylContact C-O 3.55Å; D856-I871 WeakPolarHBondContact CA-O 3.37Å; M857-I871 HydrophobicContact CB-CB 4.38Å; M857-I871 HydrophobicContact CE-CB 4.22Å; M857-I871 HydrophobicContact CE-CD1 3.39Å; M857-I871 HydrophobicContact CE-CG1 4.01Å; M857-I871 PolarHBondContact N-O 3.35Å; M857-I871 PolarHBondContact O-N 3.1Å; I859-I871 HydrophobicContact CD1-CD1 4.25Å; I871-I874 HydrophobicContact CB-CD1 4.24Å; I871-I874 HydrophobicContact CG2-CD1 3.88Å; I871-I874 HydrophobicContact CG2-CG1 3.97Å
872	N	93.9	Very high	89.9	Confident	56 Å²	56	53.9 Å²	53.9	30%	0.299	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	161.8	-173.4	-57.2	-38	0	0	0	112.1	A809 D856 I874	A809-N872 HydrophobicContact CB-CB 4.35Å; A809-N872 WeakPolarHBondContact CB-O 3.45Å; A809-N872 PolarHBondContact N-O 3.02Å; A809-N872 PolarHBondContact O-N 3.29Å; D856-N872 WeakPolarHBondContact OD1-CA 3.37Å; N872-I874 PolarHBondContact O-N 2.98Å
873	A	92.1	Very high	90	Very high	30 Å²	30	51 Å²	51	25%	0.248	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	57.7	42.1	166.7	0	0	0	0	0	114.7	F855 D856	F855-A873 PolarHBondContact O-N 3.43Å; D856-A873 PolarHBondContact OD1-N 3.15Å
874	I	94.6	Very high	90.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.7	173.4	-56.7	172	0	0	0	108.5	F806 N854 F855 M857 I871 N872 V876 I882	F806-I874 HydrophobicContact CD2-CD1 4.48Å; F806-I874 HydrophobicContact CD2-CG2 3.97Å; F806-I874 HydrophobicContact CE2-CD1 3.97Å; F806-I874 HydrophobicContact CE2-CG1 4.4Å; F806-I874 HydrophobicContact CE2-CG2 4.45Å; N854-I874 CarbonylContact C-O 3.49Å; N854-I874 WeakPolarHBondContact CA-O 3.49Å; N854-I874 WeakPolarHBondContact CB-O 3.35Å; F855-I874 HydrophobicContact CD1-CB 4.27Å; F855-I874 HydrophobicContact CD1-CG2 4.41Å; F855-I874 WeakPolarHBondContact CD1-O 3.31Å; F855-I874 HydrophobicContact CD2-CB 4.43Å; F855-I874 HydrophobicContact CE1-CB 3.9Å; F855-I874 HydrophobicContact CE1-CG2 3.59Å; F855-I874 HydrophobicContact CE2-CB 4.06Å; F855-I874 HydrophobicContact CE2-CD1 4Å; F855-I874 HydrophobicContact CE2-CG2 4.12Å; F855-I874 HydrophobicContact CZ-CB 3.8Å; F855-I874 HydrophobicContact CZ-CD1 4.33Å; F855-I874 HydrophobicContact CZ-CG2 3.42Å; F855-I874 VanDerWaalsContact CZ-CG2 3.42Å; F855-I874 PolarHBondContact N-O 2.84Å; F855-I874 PolarHBondContact O-N 2.72Å; M857-I874 HydrophobicContact CB-CD1 3.54Å; M857-I874 HydrophobicContact CE-CD1 4.32Å; I871-I874 HydrophobicContact CB-CD1 4.24Å; I871-I874 HydrophobicContact CG2-CD1 3.88Å; I871-I874 HydrophobicContact CG2-CG1 3.97Å; N872-I874 PolarHBondContact O-N 2.98Å; I874-V876 PolarHBondContact O-N 3.33Å; I874-I882 HydrophobicContact CG2-CD1 3.8Å
875	P	93.3	Very high	90.3	Very high	42 Å²	42	51 Å²	51	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	134.7	176.9	-22.7	33.1	0	0	0	111.6	N807 F855 A877 S878	N807-P875 WeakPolarHBondContact O-CD 3.41Å; F855-P875 WeakPolarHBondContact CE1-O 3.44Å; P875-A877 PolarHBondContact O-N 2.88Å; P875-A877 VanDerWaalsContact O-N 3.11Å; P875-S878 WeakPolarHBondContact O-CB 3.26Å; P875-S878 PolarHBondContact O-N 3.33Å
876	V	90.6	Very high	90.8	Very high	54 Å²	54	46.5 Å²	46.5	33%	0.327	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-59	-26.8	179	168.5	0	0	0	0	112.8	L852 K853 F855 I874 S878 L879	L852-V876 WeakPolarHBondContact O-CG2 3.37Å; K853-V876 WeakPolarHBondContact O-CG2 3.43Å; K853-V876 PolarHBondContact O-N 3.34Å; F855-V876 HydrophobicContact CD1-CG2 3.99Å; I874-V876 PolarHBondContact O-N 3.33Å; V876-S878 PolarHBondContact O-N 3.39Å; V876-S878 VanDerWaalsContact O-N 3.12Å; V876-L879 WeakPolarHBondContact O-CB 3.24Å; V876-L879 PolarHBondContact O-N 2.92Å
877	A	90.7	Very high	90.8	Very high	89 Å²	89	43.7 Å²	43.7	74%	0.736	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-62.1	-17.6	173.4	0	0	0	0	0	113.9	P875	P875-A877 PolarHBondContact O-N 2.88Å; P875-A877 VanDerWaalsContact O-N 3.11Å
878	S	91.3	Very high	90.6	Very high	28 Å²	28	37.8 Å²	37.8	20%	0.196	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-94	-3.2	175.3	-62.3	0	0	0	0	113.1	P875 V876 I882	P875-S878 WeakPolarHBondContact O-CB 3.26Å; P875-S878 PolarHBondContact O-N 3.33Å; V876-S878 PolarHBondContact O-N 3.39Å; V876-S878 VanDerWaalsContact O-N 3.12Å; S878-I882 VanDerWaalsContact O-CB 3.31Å; S878-I882 WeakPolarHBondContact O-CB 3.32Å; S878-I882 WeakPolarHBondContact O-CD1 3.49Å; S878-I882 WeakPolarHBondContact O-CG1 3.4Å; S878-I882 PolarHBondContact O-N 3.47Å
879	L	90.2	Very high	90.2	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-54.1	-176.5	-176.5	65.6	0	0	0	112.4	F845 V848 F855 V876 I882 K883	F845-L879 HydrophobicContact CD1-CD1 4.5Å; F845-L879 HydrophobicContact CD2-CD1 4.2Å; F845-L879 HydrophobicContact CE2-CD1 4.44Å; F845-L879 HydrophobicContact CG-CD1 4.22Å; V848-L879 HydrophobicContact CG1-CD2 3.82Å; F855-L879 HydrophobicContact CD1-CB 4.39Å; F855-L879 HydrophobicContact CD1-CD1 4.25Å; F855-L879 HydrophobicContact CD2-CD1 4.12Å; F855-L879 HydrophobicContact CE1-CB 3.72Å; F855-L879 HydrophobicContact CE1-CD1 3.86Å; F855-L879 HydrophobicContact CE1-CG 4.37Å; F855-L879 HydrophobicContact CE2-CD1 3.74Å; F855-L879 HydrophobicContact CG-CD1 4.36Å; F855-L879 HydrophobicContact CZ-CB 4.06Å; F855-L879 HydrophobicContact CZ-CD1 3.58Å; F855-L879 HydrophobicContact CZ-CG 4.45Å; V876-L879 WeakPolarHBondContact O-CB 3.24Å; V876-L879 PolarHBondContact O-N 2.92Å; L879-I882 PolarHBondContact O-N 3.48Å; L879-K883 HydrophobicContact CG-CD 4.36Å; L879-K883 WeakPolarHBondContact O-CG 3.39Å; L879-K883 PolarHBondContact O-N 2.8Å
880	D	90.3	Very high	89.7	Confident	92 Å²	92	41.7 Å²	41.7	49%	0.492	25%	0.252	S	S	.	.	H	α-helix	trans	-66.4	-44.7	-177	-53.8	-45.1	0	0	0	112.5	I882 K883 E884	D880-I882 VanDerWaalsContact C-N 3.26Å; D880-I882 PolarHBondContact O-N 2.88Å; D880-K883 PolarHBondContact O-N 2.85Å; D880-K883 VanDerWaalsContact O-N 3.17Å; D880-E884 PolarHBondContact O-N 2.68Å
881	P	89.2	Confident	89.4	Confident	78 Å²	78	39.8 Å²	39.8	51%	0.506	24%	0.242	S	C	.	.	H	α-helix	trans	-57	-37.3	171.8	-27.1	34.7	0	0	0	113.7	W885	P881-W885 WeakPolarHBondContact O-CB 3.24Å; P881-W885 PolarHBondContact O-N 2.52Å
882	I	90.8	Very high	89	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-43.7	177.3	-69.3	165.2	0	0	0	110.3	F806 F845 F855 M857 I874 S878 L879 D880 E884 W885 L886	F806-I882 HydrophobicContact CB-CD1 4.31Å; F806-I882 HydrophobicContact CD1-CD1 3.79Å; F806-I882 HydrophobicContact CD1-CG1 3.71Å; F806-I882 HydrophobicContact CD2-CD1 3.65Å; F806-I882 HydrophobicContact CD2-CG1 4.49Å; F806-I882 HydrophobicContact CE1-CD1 3.92Å; F806-I882 HydrophobicContact CE1-CG1 3.79Å; F806-I882 HydrophobicContact CE2-CD1 3.78Å; F806-I882 HydrophobicContact CG-CD1 3.65Å; F806-I882 HydrophobicContact CG-CG1 4.07Å; F806-I882 HydrophobicContact CZ-CD1 3.9Å; F806-I882 HydrophobicContact CZ-CG1 4.22Å; F845-I882 HydrophobicContact CE1-CG2 3.98Å; F845-I882 HydrophobicContact CZ-CG2 3.76Å; F855-I882 HydrophobicContact CZ-CD1 4.05Å; M857-I882 HydrophobicContact SD-CG2 4.42Å; I874-I882 HydrophobicContact CG2-CD1 3.8Å; S878-I882 VanDerWaalsContact O-CB 3.31Å; S878-I882 WeakPolarHBondContact O-CB 3.32Å; S878-I882 WeakPolarHBondContact O-CD1 3.49Å; S878-I882 WeakPolarHBondContact O-CG1 3.4Å; S878-I882 PolarHBondContact O-N 3.47Å; L879-I882 PolarHBondContact O-N 3.48Å; D880-I882 VanDerWaalsContact C-N 3.26Å; D880-I882 PolarHBondContact O-N 2.88Å; I882-E884 VanDerWaalsContact C-N 3.31Å; I882-E884 PolarHBondContact O-N 2.85Å; I882-W885 HydrophobicContact CG2-CE3 4.25Å; I882-W885 PolarHBondContact O-N 3.28Å; I882-L886 HydrophobicContact CG2-CD1 4.13Å; I882-L886 HydrophobicContact CG2-CG 4.24Å; I882-L886 VanDerWaalsContact O-CG 3.29Å; I882-L886 WeakPolarHBondContact O-CG 3.39Å; I882-L886 PolarHBondContact O-N 2.69Å
883	K	90.1	Very high	88.9	Confident	13 Å²	13	39 Å²	39	6%	0.057	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-45.9	176.7	-76	178.5	173.5	-176.6	0	111.5	F845 L879 D880 L886 N887 Y893 E895	F845-K883 HydrophobicContact CE2-CG 3.93Å; L879-K883 HydrophobicContact CG-CD 4.36Å; L879-K883 WeakPolarHBondContact O-CG 3.39Å; L879-K883 PolarHBondContact O-N 2.8Å; D880-K883 PolarHBondContact O-N 2.85Å; D880-K883 VanDerWaalsContact O-N 3.17Å; K883-L886 PolarHBondContact O-N 2.98Å; K883-N887 WeakPolarHBondContact O-CB 3.44Å; K883-N887 PolarHBondContact O-N 2.97Å; K883-Y893 HydrophobicContact CB-CE1 4.14Å; K883-Y893 HydrophobicContact CB-CE2 4.33Å; K883-Y893 HydrophobicContact CD-CE2 3.94Å; K883-Y893 HydrophobicContact CG-CD2 4.3Å; K883-Y893 HydrophobicContact CG-CE1 4.35Å; K883-Y893 HydrophobicContact CG-CE2 3.75Å; K883-E895 WeakPolarHBondContact CE-OE2 3.37Å; K883-E895 IonicContact NZ-OE2 3.22Å; K883-E895 PolarHBondContact NZ-OE2 3.01Å
884	E	87.3	Confident	88.9	Confident	71 Å²	71	38 Å²	38	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-65.1	-42.2	178.6	-160.1	-155.1	133.1	0	0	111.8	K433 D880 I882 N887 S888	K433-E884 IonicContact NZ-OE1 2.65Å; K433-E884 PolarHBondContact NZ-OE1 3.05Å; D880-E884 PolarHBondContact O-N 2.68Å; I882-E884 VanDerWaalsContact C-N 3.31Å; I882-E884 PolarHBondContact O-N 2.85Å; E884-N887 PolarHBondContact O-N 3.22Å; E884-S888 PolarHBondContact O-N 2.95Å
885	W	88.1	Confident	88.7	Confident	29 Å²	29	41.7 Å²	41.7	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174	167.2	53.9	0	0	0	111.9	F806 P819 L824 L837 P881 I882 N887 S888 C889	F806-W885 HydrophobicContact CE1-CE3 4.5Å; F806-W885 HydrophobicContact CE1-CZ3 4.23Å; P819-W885 HydrophobicContact CB-CD2 4.49Å; P819-W885 HydrophobicContact CB-CZ2 3.71Å; L824-W885 HydrophobicContact CB-CH2 4.03Å; L824-W885 HydrophobicContact CD1-CH2 3.88Å; L824-W885 HydrophobicContact CD1-CZ3 4.38Å; L824-W885 HydrophobicContact CD2-CH2 4.15Å; L824-W885 HydrophobicContact CD2-CZ3 4.46Å; L824-W885 HydrophobicContact CG-CH2 4.24Å; L837-W885 HydrophobicContact CD1-CZ2 4.06Å; L837-W885 HydrophobicContact CD2-CH2 4.03Å; L837-W885 HydrophobicContact CD2-CZ2 3.86Å; P881-W885 WeakPolarHBondContact O-CB 3.24Å; P881-W885 PolarHBondContact O-N 2.52Å; I882-W885 HydrophobicContact CG2-CE3 4.25Å; I882-W885 PolarHBondContact O-N 3.28Å; W885-N887 VanDerWaalsContact C-N 3.32Å; W885-N887 PolarHBondContact O-N 3.07Å; W885-S888 PolarHBondContact O-N 3.48Å; W885-S888 VanDerWaalsContact O-N 3.15Å; W885-S888 PolarHBondContact O-OG 3.15Å; W885-C889 PolarHBondContact O-N 3.02Å; W885-C889 PolarHBondContact O-SG 3.23Å
886	L	87.7	Confident	88.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-39.5	177.9	-67.4	-177.1	0	0	0	112.3	I843 F845 I882 K883 S888 C889 D890 L891 Y893	I843-L886 HydrophobicContact CB-CD1 4.08Å; I843-L886 HydrophobicContact CD1-CD1 3.64Å; I843-L886 HydrophobicContact CD1-CD2 3.36Å; I843-L886 HydrophobicContact CD1-CG 4.13Å; I843-L886 HydrophobicContact CG1-CD1 4.45Å; I843-L886 HydrophobicContact CG2-CD1 3.93Å; F845-L886 HydrophobicContact CE1-CD1 4.46Å; F845-L886 HydrophobicContact CE2-CD1 4.32Å; F845-L886 HydrophobicContact CZ-CD1 3.63Å; I882-L886 HydrophobicContact CG2-CD1 4.13Å; I882-L886 HydrophobicContact CG2-CG 4.24Å; I882-L886 VanDerWaalsContact O-CG 3.29Å; I882-L886 WeakPolarHBondContact O-CG 3.39Å; I882-L886 PolarHBondContact O-N 2.69Å; K883-L886 PolarHBondContact O-N 2.98Å; L886-S888 VanDerWaalsContact C-N 3.31Å; L886-S888 PolarHBondContact O-N 2.82Å; L886-C889 CarbonylContact O-C 3.56Å; L886-C889 PolarHBondContact O-N 3.39Å; L886-C889 VanDerWaalsContact O-N 3.1Å; L886-D890 PolarHBondContact O-N 3.42Å; L886-L891 HydrophobicContact CB-CB 4.43Å; L886-L891 HydrophobicContact CD2-CB 4.47Å; L886-L891 HydrophobicContact CD2-CD1 4.01Å; L886-L891 PolarHBondContact O-N 3.01Å; L886-Y893 HydrophobicContact CB-CD1 4Å; L886-Y893 HydrophobicContact CD1-CD1 4.26Å; L886-Y893 HydrophobicContact CD1-CG 4.43Å
887	N	85.7	Confident	88.2	Confident	15 Å²	15	42.1 Å²	42.1	8%	0.08	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-41.3	174.4	-165.2	52.5	0	0	0	111.4	R474 H477 Q478 K883 E884 W885 C889 D890	R474-N887 HydrophobicContact CG-CB 4.49Å; H477-N887 PolarHBondContact ND1-OD1 3.31Å; Q478-N887 PolarHBondContact NE2-OD1 3.33Å; K883-N887 WeakPolarHBondContact O-CB 3.44Å; K883-N887 PolarHBondContact O-N 2.97Å; E884-N887 PolarHBondContact O-N 3.22Å; W885-N887 VanDerWaalsContact C-N 3.32Å; W885-N887 PolarHBondContact O-N 3.07Å; N887-C889 PolarHBondContact O-N 2.72Å; N887-D890 PolarHBondContact O-N 2.77Å; N887-D890 VanDerWaalsContact O-N 3.13Å
888	S	83.6	Confident	88	Confident	60 Å²	60	44.9 Å²	44.9	42%	0.42	25%	0.247	S	C	.	.	H	α-helix	trans	-69	-13.5	176.3	77.4	0	0	0	0	114.5	E884 W885 L886	E884-S888 PolarHBondContact O-N 2.95Å; W885-S888 PolarHBondContact O-N 3.48Å; W885-S888 VanDerWaalsContact O-N 3.15Å; W885-S888 PolarHBondContact O-OG 3.15Å; L886-S888 VanDerWaalsContact C-N 3.31Å; L886-S888 PolarHBondContact O-N 2.82Å
889	C	82.6	Confident	87.8	Confident	45 Å²	45	46.9 Å²	46.9	30%	0.304	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	9.4	174.6	-66.3	0	0	0	0	112.7	W885 L886 N887 L891	W885-C889 PolarHBondContact O-N 3.02Å; W885-C889 PolarHBondContact O-SG 3.23Å; L886-C889 CarbonylContact O-C 3.56Å; L886-C889 PolarHBondContact O-N 3.39Å; L886-C889 VanDerWaalsContact O-N 3.1Å; N887-C889 PolarHBondContact O-N 2.72Å; C889-L891 HydrophobicContact CB-CD1 4.16Å; C889-L891 HydrophobicContact CB-CG 4.18Å; C889-L891 PolarHBondContact O-N 2.81Å
890	D	84	Confident	87.7	Confident	103 Å²	103	48.9 Å²	48.9	55%	0.551	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	32.1	-175.6	-56.4	-38.7	0	0	0	113.3	H477 L481 L886 N887	H477-D890 IonicContact CE1-OD1 3.3Å; H477-D890 PolarHBondContact CE1-OD1 3.11Å; H477-D890 IonicContact NE2-OD1 2.7Å; L481-D890 HydrophobicContact CD2-CB 4.1Å; L886-D890 PolarHBondContact O-N 3.42Å; N887-D890 PolarHBondContact O-N 2.77Å; N887-D890 VanDerWaalsContact O-N 3.13Å
891	L	85.8	Confident	87.7	Confident	14 Å²	14	49.4 Å²	49.4	7%	0.073	27%	0.274	C	S	.	.			trans	-97	122.4	177.7	-70.1	175.1	0	0	0	110	Q478 L837 V840 I843 L886 C889 Y893	Q478-L891 PolarHBondContact NE2-O 3.26Å; L837-L891 HydrophobicContact CB-CD1 4.36Å; L837-L891 HydrophobicContact CD2-CD1 4.01Å; V840-L891 HydrophobicContact CB-CD2 4.11Å; V840-L891 HydrophobicContact CG1-CD2 4.24Å; I843-L891 HydrophobicContact CD1-CD1 4.35Å; L886-L891 HydrophobicContact CB-CB 4.43Å; L886-L891 HydrophobicContact CD2-CB 4.47Å; L886-L891 HydrophobicContact CD2-CD1 4.01Å; L886-L891 PolarHBondContact O-N 3.01Å; C889-L891 HydrophobicContact CB-CD1 4.16Å; C889-L891 HydrophobicContact CB-CG 4.18Å; C889-L891 PolarHBondContact O-N 2.81Å; L891-Y893 PolarHBondContact O-N 2.7Å
892	K	87.7	Confident	87.7	Confident	19 Å²	19	46.2 Å²	46.2	8%	0.083	25%	0.252	C	S	.	.			trans	-64.3	135.1	170.9	178.3	64.6	178.5	-177.5	0	109.3	Q478 L481 A482 L485 L842 I843 E926	Q478-K892 HydrophobicContact CB-CD 4.46Å; Q478-K892 VanDerWaalsContact O-CD 3.23Å; Q478-K892 WeakPolarHBondContact O-CD 3.23Å; Q478-K892 PolarHBondContact O-NZ 3.34Å; L481-K892 HydrophobicContact CB-CB 4.45Å; A482-K892 HydrophobicContact CB-CD 4.03Å; L485-K892 HydrophobicContact CD1-CB 3.81Å; L485-K892 HydrophobicContact CD1-CG 4.38Å; L842-K892 HydrophobicContact CD1-CB 4.04Å; L842-K892 HydrophobicContact CD1-CG 3.56Å; L842-K892 WeakPolarHBondContact CD1-O 3.34Å; I843-K892 PolarHBondContact N-O 2.96Å; I843-K892 VanDerWaalsContact N-O 3.11Å; K892-E926 WeakPolarHBondContact CE-OE1 2.99Å; K892-E926 IonicContact NZ-OE1 3.75Å; K892-E926 PolarHBondContact NZ-OE1 3.36Å
893	Y	92.1	Very high	87.5	Confident	22 Å²	22	51.7 Å²	51.7	9%	0.086	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.7	166.3	64.1	-95	0	0	0	112.5	R474 Q478 I843 F845 K883 L886 L891	R474-Y893 WeakPolarHBondContact CD-OH 3.45Å; Q478-Y893 VanDerWaalsContact CD-CE1 3.46Å; Q478-Y893 HydrophobicContact CG-CE1 3.96Å; I843-Y893 CarbonylContact O-C 3.53Å; I843-Y893 WeakPolarHBondContact O-CA 3.43Å; I843-Y893 WeakPolarHBondContact O-CB 3.42Å; F845-Y893 HydrophobicContact CD2-CD2 4.16Å; F845-Y893 AromaticContact CE2-CD2 3.73Å; F845-Y893 HydrophobicContact CE2-CD2 3.73Å; F845-Y893 AromaticContact CE2-CG 3.87Å; F845-Y893 HydrophobicContact CE2-CG 3.87Å; K883-Y893 HydrophobicContact CB-CE1 4.14Å; K883-Y893 HydrophobicContact CB-CE2 4.33Å; K883-Y893 HydrophobicContact CD-CE2 3.94Å; K883-Y893 HydrophobicContact CG-CD2 4.3Å; K883-Y893 HydrophobicContact CG-CE1 4.35Å; K883-Y893 HydrophobicContact CG-CE2 3.75Å; L886-Y893 HydrophobicContact CB-CD1 4Å; L886-Y893 HydrophobicContact CD1-CD1 4.26Å; L886-Y893 HydrophobicContact CD1-CG 4.43Å; L891-Y893 PolarHBondContact O-N 2.7Å
894	T	91	Very high	87.3	Confident	9 Å²	9	58.1 Å²	58.1	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.7	172.3	52.2	0	0	0	0	109.7	L842 I843 H844 F845 L925 E926	L842-T894 HydrophobicContact CD1-CG2 4.22Å; I843-T894 PolarHBondContact O-N 3.33Å; H844-T894 CarbonylContact C-O 3.37Å; H844-T894 WeakPolarHBondContact CA-O 3.26Å; H844-T894 PolarHBondContact ND1-OG1 3.34Å; F845-T894 PolarHBondContact N-O 3.14Å; T894-L925 HydrophobicContact CG2-CB 4.08Å; T894-E926 HydrophobicContact CG2-CG 4.17Å
895	E	89.8	Confident	87.3	Confident	77 Å²	77	56.4 Å²	56.4	36%	0.36	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.1	-179.6	61.3	-175.9	-164.9	0	0	111.1	F845 V848 K883	F845-E895 HydrophobicContact CB-CB 4.31Å; F845-E895 CarbonylContact O-C 3.57Å; F845-E895 WeakPolarHBondContact O-CA 3.35Å; V848-E895 HydrophobicContact CG2-CB 4.34Å; K883-E895 WeakPolarHBondContact CE-OE2 3.37Å; K883-E895 IonicContact NZ-OE2 3.22Å; K883-E895 PolarHBondContact NZ-OE2 3.01Å
896	G	88.3	Confident	87.2	Confident	17 Å²	17	55.8 Å²	55.8	18%	0.175	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145.1	-173.2	0	0	0	0	0	112.2	F845 E846 R847 V848	F845-G896 PolarHBondContact O-N 2.74Å; E846-G896 CarbonylContact C-O 3.3Å; E846-G896 WeakPolarHBondContact CA-O 3.38Å; R847-G896 PolarHBondContact N-O 3.11Å; V848-G896 PolarHBondContact N-O 3.07Å
897	V	86.6	Confident	87	Confident	88 Å²	88	62 Å²	62	53%	0.533	33%	0.332	S	S	.	.	S	Bend	trans	-79.6	-31	-179.1	178	0	0	0	0	111.2	Q849	Q849-V897 HydrophobicContact CG-CG1 3.74Å; Q849-V897 PolarHBondContact NE2-O 3.26Å
898	Q	85.4	Confident	87	Confident	147 Å²	147	65.5 Å²	65.5	69%	0.687	35%	0.354	S	S	*	.	S	Bend	trans	-103.8	157.4	-174.8	-60.9	-174.8	3.9	0	0	111.3
899	S	87.2	Confident	87	Confident	70 Å²	70	62.9 Å²	62.9	49%	0.49	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-90.1	129	169.2	-74.8	0	0	0	0	110.7	E846	E846-S899 VanDerWaalsContact CD-CA 3.49Å; E846-S899 VanDerWaalsContact OE2-CA 3.27Å; E846-S899 WeakPolarHBondContact OE2-CA 3.47Å; E846-S899 WeakPolarHBondContact OE2-CB 3.47Å; E846-S899 PolarHBondContact OE2-OG 2.96Å
900	L	88.4	Confident	87	Confident	54 Å²	54	64 Å²	64	28%	0.283	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-95.1	151.3	-174	-61.1	176.9	0	0	0	111.7	E846 W902 I905 F924 L925	E846-L900 PolarHBondContact OE1-N 3.12Å; L900-W902 VanDerWaalsContact C-N 3.32Å; L900-W902 HydrophobicContact CB-CZ2 4.44Å; L900-W902 HydrophobicContact CD1-CH2 4.42Å; L900-W902 HydrophobicContact CD1-CZ2 3.99Å; L900-W902 VanDerWaalsContact O-CD1 3.24Å; L900-W902 PolarHBondContact O-N 3.48Å; L900-I905 HydrophobicContact CB-CD1 3.85Å; L900-I905 HydrophobicContact CD1-CD1 4.26Å; L900-F924 HydrophobicContact CD1-CE2 4.45Å; L900-L925 HydrophobicContact CD1-CD2 3.3Å
901	N	89.7	Confident	87	Confident	103 Å²	103	64.5 Å²	64.5	55%	0.551	34%	0.343	S	S	*	.			trans	-83.7	78.1	172.4	-169.4	-23.3	0	0	0	110.9	T903 K904 I905	N901-T903 PolarHBondContact O-N 2.88Å; N901-T903 VanDerWaalsContact O-N 3.12Å; N901-T903 PolarHBondContact OD1-N 3.43Å; N901-K904 HydrophobicContact CB-CB 4.34Å; N901-K904 PolarHBondContact O-N 3.25Å; N901-K904 PolarHBondContact OD1-N 2.96Å; N901-I905 WeakPolarHBondContact O-CG1 3.34Å; N901-I905 PolarHBondContact O-N 3.1Å
902	W	90.1	Very high	86.9	Confident	12 Å²	12	67.9 Å²	67.9	5%	0.045	36%	0.361	C	S	.	.	H	α-helix	trans	-56.4	-28.7	-179.7	-67.2	98.3	0	0	0	114.4	H844 E846 V858 V860 V868 L900 K904 M906 W922 L925	H844-W902 HydrophobicContact CB-CH2 3.94Å; H844-W902 HydrophobicContact CB-CZ2 3.77Å; H844-W902 AromaticContact CD2-CZ2 3.64Å; H844-W902 AromaticContact CG-CZ2 3.88Å; E846-W902 PolarHBondContact OE1-NE1 3.42Å; V858-W902 HydrophobicContact CB-CZ2 4.2Å; V858-W902 HydrophobicContact CG1-CD2 3.99Å; V858-W902 HydrophobicContact CG1-CG 4.26Å; V858-W902 HydrophobicContact CG1-CZ2 4.03Å; V858-W902 HydrophobicContact CG2-CZ2 4.39Å; V860-W902 HydrophobicContact CG2-CE3 4.22Å; V860-W902 HydrophobicContact CG2-CH2 4.14Å; V860-W902 HydrophobicContact CG2-CZ3 3.7Å; V868-W902 HydrophobicContact CG1-CB 4.37Å; V868-W902 HydrophobicContact CG1-CE3 4.24Å; V868-W902 HydrophobicContact CG2-CB 3.6Å; V868-W902 HydrophobicContact CG2-CG 3.97Å; L900-W902 VanDerWaalsContact C-N 3.32Å; L900-W902 HydrophobicContact CB-CZ2 4.44Å; L900-W902 HydrophobicContact CD1-CH2 4.42Å; L900-W902 HydrophobicContact CD1-CZ2 3.99Å; L900-W902 VanDerWaalsContact O-CD1 3.24Å; L900-W902 PolarHBondContact O-N 3.48Å; W902-K904 VanDerWaalsContact C-N 3.34Å; W902-M906 VanDerWaalsContact O-CB 3.29Å; W902-M906 WeakPolarHBondContact O-CB 3.49Å; W902-M906 VanDerWaalsContact O-CG 3.23Å; W902-M906 WeakPolarHBondContact O-CG 3.49Å; W902-M906 PolarHBondContact O-N 3.44Å; W902-W922 HydrophobicContact CZ3-CZ3 4.06Å; W902-L925 HydrophobicContact CH2-CD1 3.97Å; W902-L925 HydrophobicContact CH2-CD2 4.17Å
903	T	86.7	Confident	86.4	Confident	117 Å²	117	68.2 Å²	68.2	72%	0.718	37%	0.365	S	S	*	.	H	α-helix	trans	-66.8	-39.3	177.3	-58.4	0	0	0	0	111.2	N901 K907	N901-T903 PolarHBondContact O-N 2.88Å; N901-T903 VanDerWaalsContact O-N 3.12Å; N901-T903 PolarHBondContact OD1-N 3.43Å; T903-K907 VanDerWaalsContact O-CB 3.29Å; T903-K907 WeakPolarHBondContact O-CB 3.13Å; T903-K907 PolarHBondContact O-N 3.05Å
904	K	86.3	Confident	85.7	Confident	148 Å²	148	72.2 Å²	72.2	64%	0.643	39%	0.385	S	S	*	.	H	α-helix	trans	-71.8	-47.4	175.6	-169.1	178.4	178.9	-175.5	0	110.5	N901 W902 K907 T908	N901-K904 HydrophobicContact CB-CB 4.34Å; N901-K904 PolarHBondContact O-N 3.25Å; N901-K904 PolarHBondContact OD1-N 2.96Å; W902-K904 VanDerWaalsContact C-N 3.34Å; K904-K907 PolarHBondContact O-N 2.81Å; K904-T908 PolarHBondContact O-N 2.83Å; K904-T908 PolarHBondContact O-OG1 3.5Å
905	I	86.1	Confident	85.2	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.179	39%	0.387	C	S	.	.	H	α-helix	trans	-58.6	-55.4	-179.3	-65.2	169.1	0	0	0	111.1	L900 N901 K907 T908 I909 F924	L900-I905 HydrophobicContact CB-CD1 3.85Å; L900-I905 HydrophobicContact CD1-CD1 4.26Å; N901-I905 WeakPolarHBondContact O-CG1 3.34Å; N901-I905 PolarHBondContact O-N 3.1Å; I905-K907 PolarHBondContact O-N 2.65Å; I905-T908 WeakPolarHBondContact O-CB 3.34Å; I905-T908 PolarHBondContact O-N 2.93Å; I905-T908 VanDerWaalsContact O-N 3.12Å; I905-I909 HydrophobicContact CG2-CD1 3.79Å; I905-I909 HydrophobicContact CG2-CG1 4.45Å; I905-I909 WeakPolarHBondContact O-CG1 3.29Å; I905-I909 PolarHBondContact O-N 3.34Å; I905-F924 HydrophobicContact CD1-CE2 4.35Å; I905-F924 HydrophobicContact CD1-CZ 4.39Å; I905-F924 HydrophobicContact CG2-CZ 4.04Å
906	M	86	Confident	84.8	Confident	17 Å²	17	69.7 Å²	69.7	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-34.3	-178.4	-66.9	-56.1	-62.2	0	0	112.1	V860 Y864 V868 W902 I909 V910 W922	V860-M906 HydrophobicContact CG1-CE 4.21Å; V860-M906 HydrophobicContact CG1-SD 4.12Å; Y864-M906 HydrophobicContact CD1-CE 3.97Å; Y864-M906 HydrophobicContact CG-CE 4.01Å; Y864-M906 WeakPolarHBondContact O-CE 3.27Å; V868-M906 HydrophobicContact CG1-CG 3.93Å; V868-M906 HydrophobicContact CG1-SD 4.23Å; W902-M906 VanDerWaalsContact O-CB 3.29Å; W902-M906 WeakPolarHBondContact O-CB 3.49Å; W902-M906 VanDerWaalsContact O-CG 3.23Å; W902-M906 WeakPolarHBondContact O-CG 3.49Å; W902-M906 PolarHBondContact O-N 3.44Å; M906-I909 PolarHBondContact O-N 2.68Å; M906-I909 HydrophobicContact SD-CD1 4.28Å; M906-V910 WeakPolarHBondContact O-CB 3.22Å; M906-V910 VanDerWaalsContact O-CG2 3.24Å; M906-V910 WeakPolarHBondContact O-CG2 3.33Å; M906-V910 PolarHBondContact O-N 2.98Å; M906-W922 HydrophobicContact SD-CH2 4.05Å
907	K	84.6	Confident	84.4	Confident	131 Å²	131	70.1 Å²	70.1	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-65.1	-45.5	175.7	-173.4	-176.9	170.5	-167.3	0	111.1	T903 K904 I905 I909 V910 D911	T903-K907 VanDerWaalsContact O-CB 3.29Å; T903-K907 WeakPolarHBondContact O-CB 3.13Å; T903-K907 PolarHBondContact O-N 3.05Å; K904-K907 PolarHBondContact O-N 2.81Å; I905-K907 PolarHBondContact O-N 2.65Å; K907-I909 VanDerWaalsContact C-N 3.33Å; K907-I909 PolarHBondContact O-N 3.18Å; K907-V910 PolarHBondContact O-N 3.31Å; K907-D911 WeakPolarHBondContact CE-OD2 3.23Å; K907-D911 WeakPolarHBondContact O-CB 3.41Å; K907-D911 PolarHBondContact O-N 3.36Å
908	T	84.7	Confident	84.1	Confident	88 Å²	88	73.7 Å²	73.7	54%	0.54	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-43.6	175.5	-59.7	0	0	0	0	111.7	K904 I905 V910 D911 D912	K904-T908 PolarHBondContact O-N 2.83Å; K904-T908 PolarHBondContact O-OG1 3.5Å; I905-T908 WeakPolarHBondContact O-CB 3.34Å; I905-T908 PolarHBondContact O-N 2.93Å; I905-T908 VanDerWaalsContact O-N 3.12Å; T908-V910 PolarHBondContact O-N 3.43Å; T908-D911 PolarHBondContact O-N 3.11Å; T908-D912 PolarHBondContact O-N 2.69Å
909	I	84.1	Confident	83.8	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-64	-40.5	178.1	-62.7	170.6	0	0	0	111.5	Y864 I905 M906 K907 D912 P913 F916 W922	Y864-I909 HydrophobicContact CD2-CG2 3.45Å; Y864-I909 VanDerWaalsContact CD2-CG2 3.45Å; Y864-I909 HydrophobicContact CE2-CG2 3.63Å; Y864-I909 HydrophobicContact CG-CG2 4.36Å; I905-I909 HydrophobicContact CG2-CD1 3.79Å; I905-I909 HydrophobicContact CG2-CG1 4.45Å; I905-I909 WeakPolarHBondContact O-CG1 3.29Å; I905-I909 PolarHBondContact O-N 3.34Å; M906-I909 PolarHBondContact O-N 2.68Å; M906-I909 HydrophobicContact SD-CD1 4.28Å; K907-I909 VanDerWaalsContact C-N 3.33Å; K907-I909 PolarHBondContact O-N 3.18Å; I909-D912 CarbonylContact O-C 3.59Å; I909-P913 VanDerWaalsContact O-CA 3.31Å; I909-P913 WeakPolarHBondContact O-CA 3.2Å; I909-P913 WeakPolarHBondContact O-CD 3.25Å; I909-P913 WeakPolarHBondContact O-CG 3.28Å; I909-P913 VanDerWaalsContact O-N 3.12Å; I909-F916 HydrophobicContact CD1-CD2 4.06Å; I909-F916 HydrophobicContact CD1-CE1 4.35Å; I909-F916 HydrophobicContact CD1-CE2 3.68Å; I909-F916 HydrophobicContact CD1-CZ 3.83Å; I909-F916 HydrophobicContact CG1-CD1 4.42Å; I909-F916 HydrophobicContact CG1-CD2 3.67Å; I909-F916 HydrophobicContact CG1-CE2 3.85Å; I909-F916 HydrophobicContact CG1-CG 3.96Å; I909-F916 HydrophobicContact CG1-CZ 4.3Å; I909-F916 HydrophobicContact CG2-CD1 3.97Å; I909-F916 HydrophobicContact CG2-CE1 4.34Å; I909-F916 HydrophobicContact CG2-CG 4.12Å; I909-W922 HydrophobicContact CD1-CH2 3.64Å; I909-W922 HydrophobicContact CD1-CZ2 4.23Å; I909-W922 HydrophobicContact CD1-CZ3 4.02Å
910	V	82.8	Confident	83.2	Confident	68 Å²	68	71.5 Å²	71.5	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-71.2	-35.3	178.2	171.2	0	0	0	0	111.8	Y864 M906 K907 T908	Y864-V910 WeakPolarHBondContact O-CG2 3.4Å; M906-V910 WeakPolarHBondContact O-CB 3.22Å; M906-V910 VanDerWaalsContact O-CG2 3.24Å; M906-V910 WeakPolarHBondContact O-CG2 3.33Å; M906-V910 PolarHBondContact O-N 2.98Å; K907-V910 PolarHBondContact O-N 3.31Å; T908-V910 PolarHBondContact O-N 3.43Å
911	D	83.5	Confident	82.9	Confident	115 Å²	115	69 Å²	69	62%	0.615	36%	0.36	S	S	*	.	H	α-helix	trans	-73.1	-37.9	179.5	-71.9	-18	0	0	0	111.6	K907 T908	K907-D911 WeakPolarHBondContact CE-OD2 3.23Å; K907-D911 WeakPolarHBondContact O-CB 3.41Å; K907-D911 PolarHBondContact O-N 3.36Å; T908-D911 PolarHBondContact O-N 3.11Å
912	D	83.5	Confident	82.7	Confident	84 Å²	84	64.8 Å²	64.8	45%	0.449	34%	0.336	S	S	.	.			trans	-137	81.7	174.7	-175.2	15.2	0	0	0	113.3	T908 I909 E914 G915 F916	T908-D912 PolarHBondContact O-N 2.69Å; I909-D912 CarbonylContact O-C 3.59Å; D912-E914 VanDerWaalsContact C-N 3.3Å; D912-E914 PolarHBondContact O-N 3.06Å; D912-E914 PolarHBondContact OD1-N 3.26Å; D912-G915 PolarHBondContact OD1-N 3.25Å; D912-G915 WeakPolarHBondContact OD2-CA 3.37Å; D912-F916 PolarHBondContact O-N 3.4Å
913	P	78	Confident	82.2	Confident	26 Å²	26	66.6 Å²	66.6	17%	0.169	35%	0.351	C	S	.	.	H	α-helix	trans	-67.5	-28.9	177.4	-18.5	29.7	0	0	0	113.3	L493 I909 F917	L493-P913 HydrophobicContact CD1-CB 4.37Å; I909-P913 VanDerWaalsContact O-CA 3.31Å; I909-P913 WeakPolarHBondContact O-CA 3.2Å; I909-P913 WeakPolarHBondContact O-CD 3.25Å; I909-P913 WeakPolarHBondContact O-CG 3.28Å; I909-P913 VanDerWaalsContact O-N 3.12Å; P913-F917 WeakPolarHBondContact O-CD2 3.37Å; P913-F917 PolarHBondContact O-N 3.36Å
914	E	77.5	Confident	82	Confident	107 Å²	107	65.8 Å²	65.8	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-73.1	-48.5	-176.3	-76.6	170.8	-155.7	0	0	110.2	K497 D912 F916 F917 E918	K497-E914 IonicContact NZ-OE1 3.68Å; K497-E914 PolarHBondContact NZ-OE1 2.84Å; D912-E914 VanDerWaalsContact C-N 3.3Å; D912-E914 PolarHBondContact O-N 3.06Å; D912-E914 PolarHBondContact OD1-N 3.26Å; E914-F916 VanDerWaalsContact C-N 3.26Å; E914-F916 PolarHBondContact O-N 3.15Å; E914-F917 PolarHBondContact O-N 3.07Å; E914-E918 PolarHBondContact O-N 2.74Å; E914-E918 VanDerWaalsContact O-N 3.1Å
915	G	79.7	Confident	81.8	Confident	10 Å²	10	59.2 Å²	59.2	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-35	175	0	0	0	0	0	113.2	D912 E918 Q919	D912-G915 PolarHBondContact OD1-N 3.25Å; D912-G915 WeakPolarHBondContact OD2-CA 3.37Å; G915-E918 PolarHBondContact O-N 3.48Å; G915-Q919 WeakPolarHBondContact O-CG 3.47Å; G915-Q919 PolarHBondContact O-N 3.44Å; G915-Q919 VanDerWaalsContact O-N 3.13Å
916	F	81.5	Confident	81.3	Confident	22 Å²	22	61.3 Å²	61.3	10%	0.096	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-47.7	175.2	176.5	-111.1	0	0	0	112.7	I909 D912 E914 Q919 G921 W922 F924	I909-F916 HydrophobicContact CD1-CD2 4.06Å; I909-F916 HydrophobicContact CD1-CE1 4.35Å; I909-F916 HydrophobicContact CD1-CE2 3.68Å; I909-F916 HydrophobicContact CD1-CZ 3.83Å; I909-F916 HydrophobicContact CG1-CD1 4.42Å; I909-F916 HydrophobicContact CG1-CD2 3.67Å; I909-F916 HydrophobicContact CG1-CE2 3.85Å; I909-F916 HydrophobicContact CG1-CG 3.96Å; I909-F916 HydrophobicContact CG1-CZ 4.3Å; I909-F916 HydrophobicContact CG2-CD1 3.97Å; I909-F916 HydrophobicContact CG2-CE1 4.34Å; I909-F916 HydrophobicContact CG2-CG 4.12Å; D912-F916 PolarHBondContact O-N 3.4Å; E914-F916 VanDerWaalsContact C-N 3.26Å; E914-F916 PolarHBondContact O-N 3.15Å; F916-Q919 PolarHBondContact O-N 3.42Å; F916-G921 WeakPolarHBondContact CE2-O 3.27Å; F916-G921 VanDerWaalsContact CZ-O 3.31Å; F916-G921 WeakPolarHBondContact CZ-O 3.1Å; F916-G921 VanDerWaalsContact O-CA 3.25Å; F916-G921 WeakPolarHBondContact O-CA 3.34Å; F916-G921 PolarHBondContact O-N 3Å; F916-W922 HydrophobicContact CE1-CD2 4.31Å; F916-W922 HydrophobicContact CE1-CG 4.48Å; F916-W922 HydrophobicContact CE1-CZ2 4.46Å; F916-W922 AromaticContact CZ-CD2 3.67Å; F916-W922 HydrophobicContact CZ-CD2 3.67Å; F916-W922 AromaticContact CZ-CE2 3.8Å; F916-W922 AromaticContact CZ-CE3 3.92Å; F916-W922 HydrophobicContact CZ-CE3 3.92Å; F916-W922 HydrophobicContact CZ-CG 4Å; F916-W922 HydrophobicContact CZ-CH2 4.43Å; F916-W922 HydrophobicContact CZ-CZ2 4.21Å; F916-W922 HydrophobicContact CZ-CZ3 4.3Å; F916-F924 HydrophobicContact CE2-CD1 4.3Å; F916-F924 HydrophobicContact CE2-CE1 4.01Å
917	F	81.1	Confident	80.1	Confident	27 Å²	27	65.2 Å²	65.2	12%	0.118	35%	0.345	C	S	.	.	H	α-helix	trans	-74.3	-26.5	178.9	-67.2	-65.7	0	0	0	113.3	A489 K490 L493 P913 E914 Q919 G920	A489-F917 HydrophobicContact CB-CE1 3.7Å; A489-F917 HydrophobicContact CB-CZ 3.55Å; K490-F917 HydrophobicContact CB-CD1 4.35Å; K490-F917 HydrophobicContact CB-CD2 4.24Å; K490-F917 HydrophobicContact CB-CE1 4.48Å; K490-F917 HydrophobicContact CB-CE2 4.39Å; K490-F917 HydrophobicContact CB-CG 4.25Å; K490-F917 HydrophobicContact CD-CB 4.41Å; K490-F917 HydrophobicContact CG-CD2 4.33Å; K490-F917 HydrophobicContact CG-CG 4.43Å; L493-F917 HydrophobicContact CD1-CE2 3.49Å; L493-F917 VanDerWaalsContact CD1-CE2 3.49Å; L493-F917 HydrophobicContact CD1-CZ 3.67Å; P913-F917 WeakPolarHBondContact O-CD2 3.37Å; P913-F917 PolarHBondContact O-N 3.36Å; E914-F917 PolarHBondContact O-N 3.07Å; F917-Q919 VanDerWaalsContact C-N 3.29Å; F917-G920 PolarHBondContact O-N 2.85Å
918	E	78.9	Confident	78.2	Confident	162 Å²	162	68.6 Å²	68.6	76%	0.757	36%	0.363	S	S	*	.	H	α-helix	trans	-67.5	-31.3	173.6	-73.8	-175.6	172.9	0	0	112.2	E914 G915 G920	E914-E918 PolarHBondContact O-N 2.74Å; E914-E918 VanDerWaalsContact O-N 3.1Å; G915-E918 PolarHBondContact O-N 3.48Å; E918-G920 PolarHBondContact O-N 3.28Å
919	Q	78.8	Confident	76.2	Confident	143 Å²	143	67.8 Å²	67.8	67%	0.668	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	12	176.1	-66.3	172.6	18.3	0	0	113.8	G915 F916 F917	G915-Q919 WeakPolarHBondContact O-CG 3.47Å; G915-Q919 PolarHBondContact O-N 3.44Å; G915-Q919 VanDerWaalsContact O-N 3.13Å; F916-Q919 PolarHBondContact O-N 3.42Å; F917-Q919 VanDerWaalsContact C-N 3.29Å
920	G	75.9	Confident	73.8	Confident	28 Å²	28	73.4 Å²	73.4	29%	0.289	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	3.3	-180	0	0	0	0	0	115	N486 F917 E918 W922 S923	N486-G920 PolarHBondContact ND2-O 3Å; F917-G920 PolarHBondContact O-N 2.85Å; E918-G920 PolarHBondContact O-N 3.28Å; G920-W922 PolarHBondContact O-N 3.3Å; G920-S923 VanDerWaalsContact C-OG 3.27Å; G920-S923 WeakPolarHBondContact CA-OG 3.39Å; G920-S923 WeakPolarHBondContact O-CB 3.38Å; G920-S923 PolarHBondContact O-N 3.09Å; G920-S923 PolarHBondContact O-OG 2.86Å; G920-S923 VanDerWaalsContact O-OG 3.07Å
921	G	82	Confident	71.3	Confident	3 Å²	3	74 Å²	74	3%	0.031	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	64.4	-121.5	176.5	0	0	0	0	0	111.4	F916 S923 F924	F916-G921 WeakPolarHBondContact CE2-O 3.27Å; F916-G921 VanDerWaalsContact CZ-O 3.31Å; F916-G921 WeakPolarHBondContact CZ-O 3.1Å; F916-G921 VanDerWaalsContact O-CA 3.25Å; F916-G921 WeakPolarHBondContact O-CA 3.34Å; F916-G921 PolarHBondContact O-N 3Å; G921-S923 PolarHBondContact O-N 3.1Å; G921-F924 WeakPolarHBondContact O-CD1 3.46Å
922	W	84.2	Confident	68.7	Low	13 Å²	13	73.6 Å²	73.6	5%	0.049	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-76.4	2.2	-178.3	-64.8	107.3	0	0	0	115	L485 N486 L842 V860 Y864 W902 M906 I909 F916 G920 F924 L925	L485-W922 HydrophobicContact CD2-CG 4.35Å; N486-W922 PolarHBondContact OD1-N 2.89Å; L842-W922 HydrophobicContact CD2-CB 4.32Å; L842-W922 HydrophobicContact CD2-CD2 3.78Å; L842-W922 HydrophobicContact CD2-CE3 3.68Å; L842-W922 HydrophobicContact CD2-CG 4.1Å; L842-W922 HydrophobicContact CD2-CZ3 4.29Å; V860-W922 HydrophobicContact CG1-CH2 3.75Å; V860-W922 HydrophobicContact CG1-CZ2 3.85Å; V860-W922 HydrophobicContact CG2-CH2 4.47Å; Y864-W922 HydrophobicContact CE1-CZ2 4Å; Y864-W922 AromaticContact CZ-CZ2 3.93Å; Y864-W922 PolarHBondContact OH-NE1 3.2Å; Y864-W922 VanDerWaalsContact OH-NE1 3.16Å; W902-W922 HydrophobicContact CZ3-CZ3 4.06Å; M906-W922 HydrophobicContact SD-CH2 4.05Å; I909-W922 HydrophobicContact CD1-CH2 3.64Å; I909-W922 HydrophobicContact CD1-CZ2 4.23Å; I909-W922 HydrophobicContact CD1-CZ3 4.02Å; F916-W922 HydrophobicContact CE1-CD2 4.31Å; F916-W922 HydrophobicContact CE1-CG 4.48Å; F916-W922 HydrophobicContact CE1-CZ2 4.46Å; F916-W922 AromaticContact CZ-CD2 3.67Å; F916-W922 HydrophobicContact CZ-CD2 3.67Å; F916-W922 AromaticContact CZ-CE2 3.8Å; F916-W922 AromaticContact CZ-CE3 3.92Å; F916-W922 HydrophobicContact CZ-CE3 3.92Å; F916-W922 HydrophobicContact CZ-CG 4Å; F916-W922 HydrophobicContact CZ-CH2 4.43Å; F916-W922 HydrophobicContact CZ-CZ2 4.21Å; F916-W922 HydrophobicContact CZ-CZ3 4.3Å; G920-W922 PolarHBondContact O-N 3.3Å; W922-F924 AromaticContact CE3-CE1 3.98Å; W922-F924 HydrophobicContact CE3-CE1 3.98Å; W922-F924 HydrophobicContact CZ3-CE1 4.26Å; W922-F924 PolarHBondContact O-N 2.82Å; W922-L925 HydrophobicContact CE3-CD1 3.61Å; W922-L925 HydrophobicContact CZ3-CD1 4.12Å; W922-L925 PolarHBondContact O-N 2.85Å
923	S	80.4	Confident	66.2	Low	50 Å²	50	78.2 Å²	78.2	35%	0.35	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.7	-179.1	57.5	0	0	0	0	114	G920 G921 L925 E926	G920-S923 VanDerWaalsContact C-OG 3.27Å; G920-S923 WeakPolarHBondContact CA-OG 3.39Å; G920-S923 WeakPolarHBondContact O-CB 3.38Å; G920-S923 PolarHBondContact O-N 3.09Å; G920-S923 PolarHBondContact O-OG 2.86Å; G920-S923 VanDerWaalsContact O-OG 3.07Å; G921-S923 PolarHBondContact O-N 3.1Å; S923-L925 PolarHBondContact O-N 3.45Å; S923-L925 VanDerWaalsContact O-N 3.09Å; S923-E926 WeakPolarHBondContact O-CB 3.28Å; S923-E926 PolarHBondContact O-N 3.47Å
924	F	82.7	Confident	64	Low	100 Å²	100	81.2 Å²	81.2	44%	0.439	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-63.7	-15	178.2	83.8	-86.9	0	0	0	113.8	L900 I905 F916 G921 W922	L900-F924 HydrophobicContact CD1-CE2 4.45Å; I905-F924 HydrophobicContact CD1-CE2 4.35Å; I905-F924 HydrophobicContact CD1-CZ 4.39Å; I905-F924 HydrophobicContact CG2-CZ 4.04Å; F916-F924 HydrophobicContact CE2-CD1 4.3Å; F916-F924 HydrophobicContact CE2-CE1 4.01Å; G921-F924 WeakPolarHBondContact O-CD1 3.46Å; W922-F924 AromaticContact CE3-CE1 3.98Å; W922-F924 HydrophobicContact CE3-CE1 3.98Å; W922-F924 HydrophobicContact CZ3-CE1 4.26Å; W922-F924 PolarHBondContact O-N 2.82Å
925	L	82.3	Confident	61.7	Low	11 Å²	11	85.1 Å²	85.1	6%	0.058	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-87.6	-9.5	175.6	-64.8	173.9	0	0	0	112.9	L842 T894 L900 W902 W922 S923	L842-L925 HydrophobicContact CD2-CD1 3.44Å; L842-L925 VanDerWaalsContact CD2-CD1 3.44Å; T894-L925 HydrophobicContact CG2-CB 4.08Å; L900-L925 HydrophobicContact CD1-CD2 3.3Å; W902-L925 HydrophobicContact CH2-CD1 3.97Å; W902-L925 HydrophobicContact CH2-CD2 4.17Å; W922-L925 HydrophobicContact CE3-CD1 3.61Å; W922-L925 HydrophobicContact CZ3-CD1 4.12Å; W922-L925 PolarHBondContact O-N 2.85Å; S923-L925 PolarHBondContact O-N 3.45Å; S923-L925 VanDerWaalsContact O-N 3.09Å
926	E	75.2	Confident	59.2	Low	79 Å²	79	94.6 Å²	94.6	37%	0.369	54%	0.535	S	S	.	.	S	Bend	trans	-84.7	136.9	177	-59.9	-169.3	150.8	0	0	109.4	K892 T894 S923 E928	K892-E926 WeakPolarHBondContact CE-OE1 2.99Å; K892-E926 IonicContact NZ-OE1 3.75Å; K892-E926 PolarHBondContact NZ-OE1 3.36Å; T894-E926 HydrophobicContact CG2-CG 4.17Å; S923-E926 WeakPolarHBondContact O-CB 3.28Å; S923-E926 PolarHBondContact O-N 3.47Å; E926-E928 PolarHBondContact O-N 2.96Å
927	P	60.3	Low	56.6	Low	99 Å²	99	96.6 Å²	96.6	64%	0.643	56%	0.563	S	S	*	*			trans	-59.8	127.6	178.2	-19.7	30.7	0	0	0	110.7	G929	P927-G929 PolarHBondContact O-N 3.02Å
928	E	44.3	Very low	54	Low	202 Å²	202	103.8 Å²	103.8	94%	0.944	60%	0.602	S	S	*	*	S	Bend	trans	-58.9	104.7	175.9	-69.4	-175.4	168.1	0	0	110.1	E926	E926-E928 PolarHBondContact O-N 2.96Å
929	G	42.7	Very low	51.5	Low	70 Å²	70	100.7 Å²	100.7	72%	0.722	60%	0.598	S	S	*	*			trans	-178.3	-6	179.2	0	0	0	0	0	116.8	P927	P927-G929 PolarHBondContact O-N 3.02Å
930	E	34.4	Very low	49	Very low	122 Å²	122	103.9 Å²	103.9	57%	0.57	61%	0.613	S	S	*	*	S	Bend	trans	-133.4	50.3	-171.8	-65.7	-169.2	-179.8	0	0	114.2	R475	R475-E930 IonicContact CZ-OE1 3.61Å; R475-E930 IonicContact NH1-OE1 3.38Å; R475-E930 PolarHBondContact NH1-OE1 3.13Å
931	G	29.8	Very low	46.6	Very low	80 Å²	80	106.1 Å²	106.1	83%	0.825	63%	0.625	S	S	*	*	S	Bend	trans	-144	-2.2	-177.2	0	0	0	0	0	119.3
932	S	28.9	Very low	44	Very low	108 Å²	108	115.4 Å²	115.4	76%	0.755	67%	0.667	S	S	*	*			trans	-125.1	62.9	-175.2	67.6	0	0	0	0	114	A934	S932-A934 PolarHBondContact O-N 2.93Å
933	D	31.9	Very low	41.3	Very low	180 Å²	180	121.4 Å²	121.4	96%	0.963	70%	0.699	S	S	*	*			trans	-86.6	55.2	157.1	-81.2	-26.3	0	0	0	109.8
934	A	32	Very low	38.9	Very low	90 Å²	90	127.7 Å²	127.7	74%	0.744	72%	0.723	S	S	*	*			trans	-100.3	103.1	171.7	0	0	0	0	0	109.2	S932	S932-A934 PolarHBondContact O-N 2.93Å
935	E	29.1	Very low	36.4	Very low	189 Å²	189	129.8 Å²	129.8	88%	0.883	74%	0.738	S	S	*	*			trans	4.6	119.1	165.3	-66	-178.7	160.3	0	0	118.2	G937	E935-G937 PolarHBondContact O-N 2.74Å
936	E	26.9	Very low	33.8	Very low	208 Å²	208	138.5 Å²	138.5	97%	0.972	78%	0.779	S	S	*	*			trans	-36.6	100.9	162.9	-66.2	174.4	158.8	0	0	112.7
937	G	27.3	Very low	31.8	Very low	65 Å²	65	140 Å²	140	67%	0.67	79%	0.793	S	S	*	*			trans	-127.7	95.7	165.6	0	0	0	0	0	109	E935 S939	E935-G937 PolarHBondContact O-N 2.74Å; G937-S939 PolarHBondContact O-N 2.77Å
938	D	25	Very low	30.6	Very low	177 Å²	177	143 Å²	143	95%	0.947	80%	0.797	S	S	*	*			trans	-48.4	104.2	173.6	-76.7	-39.3	0	0	0	111.9
939	S	26.8	Very low	29.9	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	79%	0.786	S	S	*	*			trans	-148.6	103.1	147.9	62	0	0	0	0	109	G937 S941	G937-S939 PolarHBondContact O-N 2.77Å; S939-S941 PolarHBondContact O-N 3.21Å
940	E	26	Very low	29.4	Very low	210 Å²	210	140.9 Å²	140.9	98%	0.981	78%	0.781	S	S	*	*			trans	-52.4	99.5	164.5	-68.2	-179.8	156	0	0	109.8
941	S	26.1	Very low	29.2	Very low	76 Å²	76	140.5 Å²	140.5	53%	0.531	79%	0.792	S	S	.	*			trans	-144.6	110.5	153.7	57.1	0	0	0	0	106.6	S939 I943	S939-S941 PolarHBondContact O-N 3.21Å; S941-I943 PolarHBondContact O-N 2.89Å
942	E	27	Very low	29.1	Very low	198 Å²	198	142.6 Å²	142.6	93%	0.925	78%	0.78	S	S	*	*			trans	-48.3	100.7	170.9	-65.7	172.1	157.3	0	0	108.9
943	I	27.7	Very low	29	Very low	139 Å²	139	144.5 Å²	144.5	71%	0.713	78%	0.782	S	S	*	*			trans	-100.1	96.7	168.8	-67.1	165.8	0	0	0	104.5	S941 D945	S941-I943 PolarHBondContact O-N 2.89Å; I943-D945 PolarHBondContact O-N 3.29Å
944	E	29.9	Very low	28.8	Very low	181 Å²	181	143.2 Å²	143.2	85%	0.846	78%	0.775	S	S	*	*			trans	-64.7	122.4	166.8	-70.9	179.8	153.6	0	0	108.5	E946	E944-E946 PolarHBondContact O-N 2.94Å
945	D	30	Very low	28.7	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	77%	0.774	S	S	*	*			trans	-17.7	114.4	174.5	-71	-43.9	0	0	0	116.4	I943 T947	I943-D945 PolarHBondContact O-N 3.29Å; D945-T947 PolarHBondContact O-N 3.02Å
946	E	29.5	Very low	28.7	Very low	195 Å²	195	147.3 Å²	147.3	91%	0.911	77%	0.772	S	S	*	*			trans	-69	71.5	160.8	-70.2	-167.6	169.9	0	0	109.8	E944 F948	E944-E946 PolarHBondContact O-N 2.94Å; E946-F948 PolarHBondContact O-N 3.21Å
947	T	32.4	Very low	28.8	Very low	109 Å²	109	146 Å²	146	67%	0.669	77%	0.766	S	S	*	*			trans	-66.6	121.4	162.5	-53.1	0	0	0	0	107.4	D945 N949	D945-T947 PolarHBondContact O-N 3.02Å; T947-N949 PolarHBondContact O-N 2.92Å
948	F	35.8	Very low	28.9	Very low	162 Å²	162	152.1 Å²	152.1	71%	0.711	78%	0.777	S	S	*	*			trans	-41.2	97.1	178.7	-180	-99.9	0	0	0	112.8	E946 P950	E946-F948 PolarHBondContact O-N 3.21Å; F948-P950 WeakPolarHBondContact O-CD 3.44Å
949	N	28.9	Very low	29	Very low	134 Å²	134	151.5 Å²	151.5	72%	0.717	77%	0.768	S	S	*	*			trans	-85.4	112.2	171.2	-93.8	-11.4	0	0	0	108.5	T947 S951	T947-N949 PolarHBondContact O-N 2.92Å; N949-S951 PolarHBondContact O-N 3.19Å
950	P	32.1	Very low	28.8	Very low	95 Å²	95	155.9 Å²	155.9	62%	0.617	78%	0.778	S	S	*	*			trans	-62.2	114.9	169.6	25	-29.5	0	0	0	108.1	F948 E952	F948-P950 WeakPolarHBondContact O-CD 3.44Å; P950-E952 PolarHBondContact O-N 3.12Å; P950-E952 VanDerWaalsContact O-N 3.15Å
951	S	30.4	Very low	28.9	Very low	114 Å²	114	153 Å²	153	80%	0.797	77%	0.77	S	S	*	*			trans	-9.8	101.9	172.6	53.8	0	0	0	0	114.2	N949 D953	N949-S951 PolarHBondContact O-N 3.19Å; S951-D953 PolarHBondContact O-N 2.68Å
952	E	27.6	Very low	29	Very low	123 Å²	123	154.5 Å²	154.5	58%	0.575	78%	0.78	S	S	*	*			trans	-62.3	108.2	161.6	-74.8	-177.9	145.3	0	0	108.6	P950 Y955	P950-E952 PolarHBondContact O-N 3.12Å; P950-E952 VanDerWaalsContact O-N 3.15Å; E952-Y955 HydrophobicContact CB-CE2 4.29Å; E952-Y955 HydrophobicContact CG-CE2 3.83Å; E952-Y955 VanDerWaalsContact OE1-CE2 3.26Å; E952-Y955 WeakPolarHBondContact OE1-CE2 3.48Å; E952-Y955 VanDerWaalsContact OE1-CZ 3.28Å; E952-Y955 PolarHBondContact OE1-OH 3.44Å
953	D	26.8	Very low	29.1	Very low	149 Å²	149	152 Å²	152	80%	0.797	77%	0.773	S	S	*	*			trans	-145.4	132.1	144	-87.9	-38	0	0	0	106.5	S951	S951-D953 PolarHBondContact O-N 2.68Å
954	D	28.2	Very low	29	Very low	153 Å²	153	154.3 Å²	154.3	82%	0.818	78%	0.78	S	S	*	*			trans	85.8	67.2	175.6	-54.1	-26.3	0	0	0	117.8	E956	D954-E956 PolarHBondContact O-N 3.39Å
955	Y	29.5	Very low	28.8	Very low	184 Å²	184	152.6 Å²	152.6	72%	0.722	78%	0.777	S	S	*	*			trans	-70.8	91.7	147.1	-64.6	-79.8	0	0	0	109.5	E952	E952-Y955 HydrophobicContact CB-CE2 4.29Å; E952-Y955 HydrophobicContact CG-CE2 3.83Å; E952-Y955 VanDerWaalsContact OE1-CE2 3.26Å; E952-Y955 WeakPolarHBondContact OE1-CE2 3.48Å; E952-Y955 VanDerWaalsContact OE1-CZ 3.28Å; E952-Y955 PolarHBondContact OE1-OH 3.44Å
956	E	29.7	Very low	28.8	Very low	180 Å²	180	157.7 Å²	157.7	84%	0.841	79%	0.788	S	S	*	*			trans	-94.6	113.7	153.5	-76.1	-171	167.5	0	0	107.8	D954 E958	D954-E956 PolarHBondContact O-N 3.39Å; E956-E958 PolarHBondContact O-N 2.96Å; E956-E958 VanDerWaalsContact O-N 3.07Å
957	E	27.7	Very low	28.7	Very low	181 Å²	181	152.8 Å²	152.8	85%	0.846	78%	0.775	S	S	*	*			trans	-47.8	105.1	-179.4	-68.1	168.2	153.3	0	0	111.7	E959	E957-E959 VanDerWaalsContact C-N 3.32Å; E957-E959 PolarHBondContact O-N 2.89Å; E957-E959 VanDerWaalsContact O-N 3.11Å
958	E	29.1	Very low	28.4	Very low	193 Å²	193	152.6 Å²	152.6	90%	0.902	78%	0.778	S	S	*	*			trans	-75.1	89.9	161	-72.5	-167.7	170	0	0	108	E956 E960	E956-E958 PolarHBondContact O-N 2.96Å; E956-E958 VanDerWaalsContact O-N 3.07Å; E958-E960 PolarHBondContact O-N 3.08Å
959	E	27.2	Very low	28	Very low	165 Å²	165	154.3 Å²	154.3	77%	0.771	79%	0.788	S	S	*	*			trans	-54.3	122.3	163.4	-77.9	-84.5	177.5	0	0	109.6	E957 D961	E957-E959 VanDerWaalsContact C-N 3.32Å; E957-E959 PolarHBondContact O-N 2.89Å; E957-E959 VanDerWaalsContact O-N 3.11Å; E959-D961 PolarHBondContact O-N 3.4Å; E959-D961 VanDerWaalsContact O-N 3.14Å
960	E	23.8	Very low	28	Very low	188 Å²	188	152 Å²	152	88%	0.879	79%	0.788	S	S	*	*			trans	-60	106.5	165.8	-68.1	179.6	160.7	0	0	109.3	E958	E958-E960 PolarHBondContact O-N 3.08Å
961	D	28.5	Very low	27.7	Very low	151 Å²	151	156.9 Å²	156.9	81%	0.807	80%	0.802	S	S	*	*			trans	-126.4	99.7	154.9	-110	-24.3	0	0	0	109.4	E959 D963	E959-D961 PolarHBondContact O-N 3.4Å; E959-D961 VanDerWaalsContact O-N 3.14Å; D961-D963 PolarHBondContact O-N 3Å
962	S	27.2	Very low	27.7	Very low	106 Å²	106	160.2 Å²	160.2	74%	0.741	81%	0.805	S	S	*	*			trans	-55.6	115.6	162.1	120.7	0	0	0	0	108.2
963	D	28.1	Very low	27.5	Very low	145 Å²	145	159 Å²	159	78%	0.775	81%	0.81	S	S	*	*			trans	-146	106.2	155.3	-89.4	-31.5	0	0	0	110.2	D961 D965	D961-D963 PolarHBondContact O-N 3Å; D963-D965 PolarHBondContact O-N 3.01Å
964	E	25.7	Very low	27.4	Very low	188 Å²	188	157.1 Å²	157.1	88%	0.879	80%	0.8	S	S	*	*			trans	-53.7	115.8	159.7	-65.6	176	148.4	0	0	109.6
965	D	27.2	Very low	27.3	Very low	146 Å²	146	158.9 Å²	158.9	78%	0.781	80%	0.796	S	S	*	*			trans	-146.9	67.9	161	-99.6	-27.1	0	0	0	110.8	D963 S967	D963-D965 PolarHBondContact O-N 3.01Å; D965-S967 PolarHBondContact O-N 3Å; D965-S967 VanDerWaalsContact O-N 3.11Å
966	Y	30.1	Very low	27.3	Very low	251 Å²	251	155.5 Å²	155.5	98%	0.984	80%	0.8	S	S	*	*			trans	-76	75.3	153.4	-83.3	-86.6	0	0	0	108.6
967	S	26.3	Very low	27.1	Very low	92 Å²	92	156.7 Å²	156.7	64%	0.643	80%	0.802	S	S	*	*			trans	-102.5	110	169.5	175.1	0	0	0	0	110.4	D965 E969	D965-S967 PolarHBondContact O-N 3Å; D965-S967 VanDerWaalsContact O-N 3.11Å; S967-E969 PolarHBondContact O-N 3.05Å
968	S	26	Very low	27.1	Very low	105 Å²	105	157.2 Å²	157.2	73%	0.734	81%	0.805	S	S	*	*			trans	-40.7	119.7	166.2	53.7	0	0	0	0	113.9
969	E	28.3	Very low	26.9	Very low	197 Å²	197	153 Å²	153	92%	0.921	80%	0.797	S	S	*	*			trans	-96.8	111.1	149.9	-79.2	-167	160.6	0	0	108.5	S967	S967-E969 PolarHBondContact O-N 3.05Å
970	A	29.1	Very low	27	Very low	86 Å²	86	153.5 Å²	153.5	71%	0.711	80%	0.804	S	S	*	*			trans	-61.3	135.4	-175.7	0	0	0	0	0	111.7	E972	A970-E972 PolarHBondContact O-N 3.45Å
971	E	25.8	Very low	27.1	Very low	198 Å²	198	148.3 Å²	148.3	93%	0.925	80%	0.8	S	S	*	*			trans	-60	102.4	158.1	-64	-165.1	161.9	0	0	109.2	S973	E971-S973 PolarHBondContact O-N 3.49Å
972	E	30.2	Very low	27.2	Very low	184 Å²	184	146.2 Å²	146.2	86%	0.86	80%	0.798	S	S	*	*			trans	-76.5	105.7	157.7	-80.7	-159.3	160.2	0	0	109.1	A970	A970-E972 PolarHBondContact O-N 3.45Å
973	S	23.9	Very low	27.3	Very low	96 Å²	96	150.6 Å²	150.6	67%	0.671	81%	0.806	S	S	*	*			trans	-20	142.3	144.2	57.8	0	0	0	0	113	E971	E971-S973 PolarHBondContact O-N 3.49Å
974	D	23.3	Very low	27.4	Very low	110 Å²	110	152.3 Å²	152.3	59%	0.588	81%	0.81	S	S	*	*				171.8	163.6	63.2	-156.8	-5.6	0	0	0	109.1
975	Y	27.2	Very low	27.8	Very low	190 Å²	190	153 Å²	153	75%	0.745	81%	0.813	S	S	*	*			trans	94.4	105.9	162.9	-55.7	-70.5	0	0	0	122.2
976	S	29.2	Very low	28.3	Very low	113 Å²	113	151.5 Å²	151.5	79%	0.79	81%	0.814	S	S	*	*			trans	97.3	79.5	130.7	70.1	0	0	0	0	118.9
977	K	24.8	Very low	28.8	Very low	205 Å²	205	142.8 Å²	142.8	89%	0.891	80%	0.8	S	S	*	*			trans	-22.6	130.6	139.6	-73	172.2	171.2	170.8	0	114.4
978	E	27.7	Very low	30.2	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	79%	0.79	S	S	*	*			trans	-157.9	102.6	131.8	-117.9	176.3	-169.1	0	0	112.1
979	S	25.2	Very low	31.4	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	78%	0.778	S	S	*	*			trans	48.3	91	134.1	-168.6	0	0	0	0	119.3
980	L	30.3	Very low	33	Very low	175 Å²	175	143.6 Å²	143.6	92%	0.916	77%	0.774	S	S	*	*			trans	-135.1	94.7	139.9	-76.6	177.4	0	0	0	108.5	S982	L980-S982 PolarHBondContact O-N 3.49Å
981	G	25.5	Very low	35.2	Very low	78 Å²	78	145 Å²	145	80%	0.804	77%	0.769	S	S	*	*			trans	-66.4	122.4	167.8	0	0	0	0	0	110.1
982	S	30.8	Very low	37.7	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	75%	0.75	S	S	*	*			trans	-137.8	94.5	152.6	62.3	0	0	0	0	106.1	L980 E984	L980-S982 PolarHBondContact O-N 3.49Å; S982-E984 VanDerWaalsContact C-N 3.34Å; S982-E984 PolarHBondContact O-N 2.86Å
983	E	29.6	Very low	40.1	Very low	198 Å²	198	135.9 Å²	135.9	93%	0.925	73%	0.729	S	S	*	*			trans	-57.6	93.5	169.4	-63.3	170.8	167.5	0	0	108.5
984	E	29.1	Very low	42.6	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	73%	0.725	S	S	*	*			trans	-118	105.8	155.7	-76.5	-164.5	168.4	0	0	106	S982 S986	S982-E984 VanDerWaalsContact C-N 3.34Å; S982-E984 PolarHBondContact O-N 2.86Å; E984-S986 VanDerWaalsContact C-N 3.3Å; E984-S986 PolarHBondContact O-N 3.25Å
985	E	34.9	Very low	45.1	Very low	203 Å²	203	136.8 Å²	136.8	95%	0.949	72%	0.719	S	S	*	*			trans	-27.3	87.3	165.1	-77.5	170.8	137.5	0	0	112	G987	E985-G987 PolarHBondContact O-N 3.08Å
986	S	38	Very low	47.7	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	71%	0.705	S	S	*	*			trans	-67.6	111.3	162.9	176.8	0	0	0	0	105.6	E984 K988	E984-S986 VanDerWaalsContact C-N 3.3Å; E984-S986 PolarHBondContact O-N 3.25Å; S986-K988 PolarHBondContact O-N 2.85Å
987	G	39.9	Very low	50	Low	67 Å²	67	129.4 Å²	129.4	69%	0.691	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-48.2	134.2	176.4	0	0	0	0	0	110.4	E985 D989	E985-G987 PolarHBondContact O-N 3.08Å; G987-D989 PolarHBondContact O-N 2.78Å
988	K	55.8	Low	52.4	Low	102 Å²	102	125.9 Å²	125.9	44%	0.443	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-48.8	131.9	176.7	-64.3	176.2	173.2	173.8	0	109.2	S986 E992 L993 E996	S986-K988 PolarHBondContact O-N 2.85Å; K988-E992 WeakPolarHBondContact CA-OE2 3.44Å; K988-E992 HydrophobicContact CB-CB 3.99Å; K988-E992 WeakPolarHBondContact CB-OE2 3.49Å; K988-E992 WeakPolarHBondContact CG-OE2 3.38Å; K988-L993 HydrophobicContact CB-CD2 4.35Å; K988-L993 HydrophobicContact CB-CG 4.13Å; K988-L993 HydrophobicContact CD-CD2 4.4Å; K988-E996 IonicContact NZ-OE1 3.84Å; K988-E996 PolarHBondContact NZ-OE1 3.41Å; K988-E996 IonicContact NZ-OE2 2.96Å; K988-E996 PolarHBondContact NZ-OE2 2.91Å
989	D	50.7	Low	54.8	Low	90 Å²	90	122.9 Å²	122.9	48%	0.481	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-66.7	165.7	176	68.5	33.6	0	0	0	110.5	G987 D991 E992 L993	G987-D989 PolarHBondContact O-N 2.78Å; D989-D991 PolarHBondContact O-N 3.28Å; D989-D991 WeakPolarHBondContact OD1-CB 3.03Å; D989-D991 PolarHBondContact OD1-N 2.83Å; D989-D991 VanDerWaalsContact OD1-N 3.1Å; D989-E992 PolarHBondContact O-N 2.99Å; D989-E992 VanDerWaalsContact O-N 3.17Å; D989-E992 PolarHBondContact OD1-N 2.8Å; D989-L993 PolarHBondContact O-N 2.81Å
990	W	62.6	Low	57.3	Low	220 Å²	220	120.4 Å²	120.4	83%	0.833	64%	0.639	S	S	*	*	H	α-helix	trans	-59.8	-30.8	-176.7	-80.6	88.6	0	0	0	112.4	L993 E994	W990-L993 PolarHBondContact O-N 3.01Å; W990-E994 VanDerWaalsContact O-CB 3.26Å; W990-E994 WeakPolarHBondContact O-CB 3.29Å; W990-E994 PolarHBondContact O-N 2.82Å
991	D	75.5	Confident	59.6	Low	114 Å²	114	117.3 Å²	117.3	61%	0.61	62%	0.623	S	S	*	*	H	α-helix	trans	-73.1	-38.8	179.1	-64.1	-18.2	0	0	0	110.6	D989 E994 E995	D989-D991 PolarHBondContact O-N 3.28Å; D989-D991 WeakPolarHBondContact OD1-CB 3.03Å; D989-D991 PolarHBondContact OD1-N 2.83Å; D989-D991 VanDerWaalsContact OD1-N 3.1Å; D991-E994 PolarHBondContact O-N 2.94Å; D991-E995 VanDerWaalsContact O-CB 3.25Å; D991-E995 WeakPolarHBondContact O-CB 3.04Å; D991-E995 PolarHBondContact O-N 2.78Å
992	E	78	Confident	62	Low	109 Å²	109	122.2 Å²	122.2	51%	0.509	62%	0.617	S	S	.	*	H	α-helix	trans	-65	-40	172.2	-84.8	-169.1	155.4	0	0	112.1	K988 D989 E996	K988-E992 WeakPolarHBondContact CA-OE2 3.44Å; K988-E992 HydrophobicContact CB-CB 3.99Å; K988-E992 WeakPolarHBondContact CB-OE2 3.49Å; K988-E992 WeakPolarHBondContact CG-OE2 3.38Å; D989-E992 PolarHBondContact O-N 2.99Å; D989-E992 VanDerWaalsContact O-N 3.17Å; D989-E992 PolarHBondContact OD1-N 2.8Å; E992-E996 WeakPolarHBondContact O-CB 2.95Å; E992-E996 PolarHBondContact O-N 2.82Å
993	L	80.5	Confident	64.1	Low	83 Å²	83	122.5 Å²	122.5	44%	0.435	61%	0.607	S	S	.	*	H	α-helix	trans	-67.6	-38.7	174.9	-74.4	171.7	0	0	0	111.7	K988 D989 W990 E996 A997	K988-L993 HydrophobicContact CB-CD2 4.35Å; K988-L993 HydrophobicContact CB-CG 4.13Å; K988-L993 HydrophobicContact CD-CD2 4.4Å; D989-L993 PolarHBondContact O-N 2.81Å; W990-L993 PolarHBondContact O-N 3.01Å; L993-E996 PolarHBondContact O-N 2.9Å; L993-A997 VanDerWaalsContact O-CB 3.28Å; L993-A997 WeakPolarHBondContact O-CB 3.27Å; L993-A997 PolarHBondContact O-N 3.49Å
994	E	76.3	Confident	66.2	Low	122 Å²	122	115.4 Å²	115.4	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-73.2	-33.5	178	-167.1	162.3	-146.5	0	0	111.8	W990 D991 R998	W990-E994 VanDerWaalsContact O-CB 3.26Å; W990-E994 WeakPolarHBondContact O-CB 3.29Å; W990-E994 PolarHBondContact O-N 2.82Å; D991-E994 PolarHBondContact O-N 2.94Å; E994-R998 WeakPolarHBondContact O-CB 3.29Å; E994-R998 PolarHBondContact O-N 3.36Å
995	E	76.6	Confident	68	Low	102 Å²	102	115.6 Å²	115.6	48%	0.477	57%	0.572	S	S	.	*	H	α-helix	trans	-69.7	-40.9	170.9	-164.4	80.7	-142.7	0	0	111	D991 R998 K999	D991-E995 VanDerWaalsContact O-CB 3.25Å; D991-E995 WeakPolarHBondContact O-CB 3.04Å; D991-E995 PolarHBondContact O-N 2.78Å; E995-R998 VanDerWaalsContact CD-NH1 3.26Å; E995-R998 PolarHBondContact O-N 2.8Å; E995-R998 IonicContact OE1-CZ 2.71Å; E995-R998 IonicContact OE1-NH1 2.85Å; E995-R998 PolarHBondContact OE1-NH1 3.13Å; E995-R998 IonicContact OE2-CZ 3.95Å; E995-R998 IonicContact OE2-NH1 2.67Å; E995-R998 PolarHBondContact OE2-NH1 3.33Å; E995-R998 IonicContact OE2-NH2 2.67Å; E995-R998 PolarHBondContact OE2-NH2 3.45Å; E995-K999 WeakPolarHBondContact O-CB 3.41Å; E995-K999 PolarHBondContact O-N 3.26Å
996	E	81.2	Confident	69.5	Low	97 Å²	97	113.6 Å²	113.6	45%	0.453	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-39.5	175.4	-166.5	169.4	-142.8	0	0	111.1	K988 E992 L993 K999 A1000	K988-E996 IonicContact NZ-OE1 3.84Å; K988-E996 PolarHBondContact NZ-OE1 3.41Å; K988-E996 IonicContact NZ-OE2 2.96Å; K988-E996 PolarHBondContact NZ-OE2 2.91Å; E992-E996 WeakPolarHBondContact O-CB 2.95Å; E992-E996 PolarHBondContact O-N 2.82Å; L993-E996 PolarHBondContact O-N 2.9Å; E996-K999 PolarHBondContact O-N 3Å; E996-A1000 VanDerWaalsContact O-CB 3.3Å; E996-A1000 WeakPolarHBondContact O-CB 3.31Å; E996-A1000 PolarHBondContact O-N 3.2Å
997	A	76.6	Confident	70.7	Confident	51 Å²	51	114.9 Å²	114.9	42%	0.421	55%	0.55	S	S	.	*	H	α-helix	trans	-64.2	-46.1	171.3	0	0	0	0	0	111.6	L993 K999 A1000 D1001	L993-A997 VanDerWaalsContact O-CB 3.28Å; L993-A997 WeakPolarHBondContact O-CB 3.27Å; L993-A997 PolarHBondContact O-N 3.49Å; A997-K999 PolarHBondContact O-N 3.11Å; A997-A1000 PolarHBondContact O-N 3.22Å; A997-D1001 WeakPolarHBondContact O-CB 3.19Å; A997-D1001 PolarHBondContact O-N 3.23Å
998	R	75.6	Confident	71.7	Confident	132 Å²	132	117.5 Å²	117.5	50%	0.498	55%	0.545	S	S	.	.	H	α-helix	trans	-59.7	-36.1	173.6	-101.7	-169	-72.7	128.8	-2.2	112.2	E994 E995 R1002	E994-R998 WeakPolarHBondContact O-CB 3.29Å; E994-R998 PolarHBondContact O-N 3.36Å; E995-R998 VanDerWaalsContact CD-NH1 3.26Å; E995-R998 PolarHBondContact O-N 2.8Å; E995-R998 IonicContact OE1-CZ 2.71Å; E995-R998 IonicContact OE1-NH1 2.85Å; E995-R998 PolarHBondContact OE1-NH1 3.13Å; E995-R998 IonicContact OE2-CZ 3.95Å; E995-R998 IonicContact OE2-NH1 2.67Å; E995-R998 PolarHBondContact OE2-NH1 3.33Å; E995-R998 IonicContact OE2-NH2 2.67Å; E995-R998 PolarHBondContact OE2-NH2 3.45Å; R998-R1002 WeakPolarHBondContact O-CB 3.04Å; R998-R1002 PolarHBondContact O-N 3.33Å
999	K	78	Confident	72.1	Confident	130 Å²	130	118.6 Å²	118.6	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-74.6	-41.5	179.8	-162.8	177.9	-179.3	-174.7	0	111.1	E995 E996 A997 R1002 E1003	E995-K999 WeakPolarHBondContact O-CB 3.41Å; E995-K999 PolarHBondContact O-N 3.26Å; E996-K999 PolarHBondContact O-N 3Å; A997-K999 PolarHBondContact O-N 3.11Å; K999-R1002 PolarHBondContact O-N 3.38Å; K999-E1003 WeakPolarHBondContact O-CB 3.45Å; K999-E1003 WeakPolarHBondContact O-CG 3.4Å; K999-E1003 PolarHBondContact O-N 3.25Å
1000	A	78.1	Confident	72.6	Confident	52 Å²	52	119.2 Å²	119.2	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-39.9	172.8	0	0	0	0	0	111.8	E996 A997 E1003 S1004	E996-A1000 VanDerWaalsContact O-CB 3.3Å; E996-A1000 WeakPolarHBondContact O-CB 3.31Å; E996-A1000 PolarHBondContact O-N 3.2Å; A997-A1000 PolarHBondContact O-N 3.22Å; A1000-E1003 PolarHBondContact O-N 2.68Å; A1000-S1004 WeakPolarHBondContact O-CB 3.16Å; A1000-S1004 PolarHBondContact O-N 3.43Å; A1000-S1004 PolarHBondContact O-OG 2.88Å
1001	D	78.6	Confident	72.3	Confident	111 Å²	111	115.8 Å²	115.8	59%	0.594	54%	0.544	S	S	*	.	H	α-helix	trans	-67.6	-34.3	173.6	-85.8	-6.2	0	0	0	112.5	A997 S1004 R1005	A997-D1001 WeakPolarHBondContact O-CB 3.19Å; A997-D1001 PolarHBondContact O-N 3.23Å; D1001-S1004 PolarHBondContact O-OG 3.24Å; D1001-S1004 VanDerWaalsContact O-OG 3.09Å; D1001-R1005 WeakPolarHBondContact O-CB 3.44Å; D1001-R1005 PolarHBondContact O-N 3.07Å; D1001-R1005 VanDerWaalsContact O-N 3.11Å
1002	R	76.4	Confident	71.4	Confident	181 Å²	181	116.6 Å²	116.6	68%	0.683	55%	0.545	S	S	*	.	H	α-helix	trans	-68.3	-45.9	171.4	-102.6	-178.5	175.8	170.7	1.3	111.4	R998 K999 R1005 Y1006	R998-R1002 WeakPolarHBondContact O-CB 3.04Å; R998-R1002 PolarHBondContact O-N 3.33Å; K999-R1002 PolarHBondContact O-N 3.38Å; R1002-R1005 PolarHBondContact O-N 3.11Å; R1002-Y1006 WeakPolarHBondContact O-CD2 3.37Å; R1002-Y1006 PolarHBondContact O-N 3Å
1003	E	74.6	Confident	70.4	Confident	113 Å²	113	114.8 Å²	114.8	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-40.3	179.4	-78.9	176.9	-175.9	0	0	111	K999 A1000 R1005 Y1006 E1007	K999-E1003 WeakPolarHBondContact O-CB 3.45Å; K999-E1003 WeakPolarHBondContact O-CG 3.4Å; K999-E1003 PolarHBondContact O-N 3.25Å; A1000-E1003 PolarHBondContact O-N 2.68Å; E1003-R1005 PolarHBondContact O-N 3.43Å; E1003-Y1006 CarbonylContact O-C 3.46Å; E1003-Y1006 PolarHBondContact O-N 3Å; E1003-E1007 WeakPolarHBondContact O-CG 3.22Å; E1003-E1007 PolarHBondContact O-N 3.34Å
1004	S	72.7	Confident	69.3	Low	50 Å²	50	118.3 Å²	118.3	35%	0.35	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-39.7	174.7	76.6	0	0	0	0	112	A1000 D1001 E1007 E1008	A1000-S1004 WeakPolarHBondContact O-CB 3.16Å; A1000-S1004 PolarHBondContact O-N 3.43Å; A1000-S1004 PolarHBondContact O-OG 2.88Å; D1001-S1004 PolarHBondContact O-OG 3.24Å; D1001-S1004 VanDerWaalsContact O-OG 3.09Å; S1004-E1007 PolarHBondContact O-N 2.98Å; S1004-E1008 WeakPolarHBondContact O-CB 3.28Å; S1004-E1008 WeakPolarHBondContact O-CG 3.3Å; S1004-E1008 PolarHBondContact O-N 3.45Å
1005	R	66.7	Low	68.3	Low	185 Å²	185	115.7 Å²	115.7	70%	0.698	55%	0.547	S	S	*	.	H	α-helix	trans	-63.5	-40.6	171.5	-93	-174.5	172.3	178.9	1.1	112.8	D1001 R1002 E1003 E1008 E1009	D1001-R1005 WeakPolarHBondContact O-CB 3.44Å; D1001-R1005 PolarHBondContact O-N 3.07Å; D1001-R1005 VanDerWaalsContact O-N 3.11Å; R1002-R1005 PolarHBondContact O-N 3.11Å; E1003-R1005 PolarHBondContact O-N 3.43Å; R1005-E1008 PolarHBondContact O-N 3.2Å; R1005-E1009 WeakPolarHBondContact O-CB 3.49Å; R1005-E1009 WeakPolarHBondContact O-CG 3.34Å; R1005-E1009 PolarHBondContact O-N 3Å
1006	Y	67.4	Low	67.1	Low	160 Å²	160	116.8 Å²	116.8	63%	0.627	55%	0.553	S	S	*	*	H	α-helix	trans	-67.9	-36.8	175.8	-87.3	-70.2	0	0	0	112	R1002 E1003 E1009 E1010	R1002-Y1006 WeakPolarHBondContact O-CD2 3.37Å; R1002-Y1006 PolarHBondContact O-N 3Å; E1003-Y1006 CarbonylContact O-C 3.46Å; E1003-Y1006 PolarHBondContact O-N 3Å; Y1006-E1009 PolarHBondContact O-N 3.32Å; Y1006-E1010 WeakPolarHBondContact O-CB 2.79Å; Y1006-E1010 PolarHBondContact O-N 2.95Å
1007	E	63.5	Low	65.9	Low	141 Å²	141	115.4 Å²	115.4	66%	0.659	55%	0.554	S	S	*	*	H	α-helix	trans	-68	-41.2	173.9	-75.5	-169.5	164.7	0	0	111.7	E1003 S1004 E1010 E1011	E1003-E1007 WeakPolarHBondContact O-CG 3.22Å; E1003-E1007 PolarHBondContact O-N 3.34Å; S1004-E1007 PolarHBondContact O-N 2.98Å; E1007-E1010 PolarHBondContact O-N 2.96Å; E1007-E1011 WeakPolarHBondContact O-CB 3.48Å; E1007-E1011 WeakPolarHBondContact O-CG 3.25Å; E1007-E1011 PolarHBondContact O-N 2.6Å
1008	E	61.3	Low	64.7	Low	123 Å²	123	123 Å²	123	58%	0.575	57%	0.572	S	S	*	*	H	α-helix	trans	-63.6	-40.1	173.4	-78.4	-171.7	168.4	0	0	112	S1004 R1005 E1011 Q1012	S1004-E1008 WeakPolarHBondContact O-CB 3.28Å; S1004-E1008 WeakPolarHBondContact O-CG 3.3Å; S1004-E1008 PolarHBondContact O-N 3.45Å; R1005-E1008 PolarHBondContact O-N 3.2Å; E1008-E1011 PolarHBondContact O-N 2.85Å; E1008-Q1012 WeakPolarHBondContact O-CB 3.47Å; E1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; E1008-Q1012 PolarHBondContact O-N 3.16Å
1009	E	62.9	Low	63.4	Low	125 Å²	125	124.7 Å²	124.7	58%	0.584	58%	0.583	S	S	*	*	H	α-helix	trans	-69.5	-37.3	174.6	-76	-173.7	179.4	0	0	112.3	R1005 Y1006 S1013	R1005-E1009 WeakPolarHBondContact O-CB 3.49Å; R1005-E1009 WeakPolarHBondContact O-CG 3.34Å; R1005-E1009 PolarHBondContact O-N 3Å; Y1006-E1009 PolarHBondContact O-N 3.32Å; E1009-S1013 WeakPolarHBondContact O-CB 3.49Å; E1009-S1013 PolarHBondContact O-N 3.4Å; E1009-S1013 PolarHBondContact O-OG 3.24Å
1010	E	61.6	Low	62	Low	103 Å²	103	128.5 Å²	128.5	48%	0.481	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-41.3	172.1	-92.1	-147.4	-173.8	0	0	111.9	Y1006 E1007 S1013 R1014	Y1006-E1010 WeakPolarHBondContact O-CB 2.79Å; Y1006-E1010 PolarHBondContact O-N 2.95Å; E1007-E1010 PolarHBondContact O-N 2.96Å; E1010-S1013 WeakPolarHBondContact CA-OG 3.45Å; E1010-S1013 PolarHBondContact O-N 3.02Å; E1010-S1013 PolarHBondContact O-OG 3.4Å; E1010-R1014 WeakPolarHBondContact O-CB 3.37Å; E1010-R1014 VanDerWaalsContact O-CG 3.27Å; E1010-R1014 WeakPolarHBondContact O-CG 3.42Å; E1010-R1014 PolarHBondContact O-N 3.45Å; E1010-R1014 IonicContact OE2-CZ 3.77Å; E1010-R1014 IonicContact OE2-NE 3.14Å; E1010-R1014 IonicContact OE2-NH2 2.62Å; E1010-R1014 PolarHBondContact OE2-NH2 3.23Å
1011	E	56.7	Low	60.5	Low	147 Å²	147	135.2 Å²	135.2	69%	0.687	61%	0.614	S	S	*	*	H	α-helix	trans	-67.7	-40.6	176.3	-77.5	-157.4	148.8	0	0	111.9	E1007 E1008 R1014 S1015	E1007-E1011 WeakPolarHBondContact O-CB 3.48Å; E1007-E1011 WeakPolarHBondContact O-CG 3.25Å; E1007-E1011 PolarHBondContact O-N 2.6Å; E1008-E1011 PolarHBondContact O-N 2.85Å; E1011-R1014 PolarHBondContact O-N 3.05Å; E1011-S1015 WeakPolarHBondContact O-CB 3.35Å; E1011-S1015 PolarHBondContact O-N 3.03Å
1012	Q	57.1	Low	58.8	Low	132 Å²	132	134.1 Å²	134.1	62%	0.617	62%	0.62	S	S	*	*	H	α-helix	trans	-63.6	-42.1	173.6	-76.5	-173.2	21.7	0	0	111.6	E1008 S1015 M1016	E1008-Q1012 WeakPolarHBondContact O-CB 3.47Å; E1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; E1008-Q1012 PolarHBondContact O-N 3.16Å; Q1012-S1015 PolarHBondContact O-N 3.03Å; Q1012-S1015 PolarHBondContact O-OG 3.2Å; Q1012-M1016 WeakPolarHBondContact O-CG 3Å; Q1012-M1016 PolarHBondContact O-N 3.05Å
1013	S	56.6	Low	57.1	Low	70 Å²	70	130 Å²	130	49%	0.49	62%	0.619	S	S	.	*	H	α-helix	trans	-68.3	-35.8	176.6	74.4	0	0	0	0	112.7	E1009 E1010 M1016 S1017	E1009-S1013 WeakPolarHBondContact O-CB 3.49Å; E1009-S1013 PolarHBondContact O-N 3.4Å; E1009-S1013 PolarHBondContact O-OG 3.24Å; E1010-S1013 WeakPolarHBondContact CA-OG 3.45Å; E1010-S1013 PolarHBondContact O-N 3.02Å; E1010-S1013 PolarHBondContact O-OG 3.4Å; S1013-M1016 PolarHBondContact O-N 2.79Å; S1013-S1017 PolarHBondContact O-N 3.27Å
1014	R	56.2	Low	55.2	Low	157 Å²	157	130.3 Å²	130.3	59%	0.592	63%	0.628	S	S	*	*	H	α-helix	trans	-68.1	-37.1	172.5	-75	178.8	-172.6	-172.2	8.8	112	E1010 E1011 S1017 R1018	E1010-R1014 WeakPolarHBondContact O-CB 3.37Å; E1010-R1014 VanDerWaalsContact O-CG 3.27Å; E1010-R1014 WeakPolarHBondContact O-CG 3.42Å; E1010-R1014 PolarHBondContact O-N 3.45Å; E1010-R1014 IonicContact OE2-CZ 3.77Å; E1010-R1014 IonicContact OE2-NE 3.14Å; E1010-R1014 IonicContact OE2-NH2 2.62Å; E1010-R1014 PolarHBondContact OE2-NH2 3.23Å; E1011-R1014 PolarHBondContact O-N 3.05Å; R1014-S1017 PolarHBondContact O-N 2.89Å; R1014-S1017 PolarHBondContact O-OG 2.69Å; R1014-R1018 PolarHBondContact O-N 3.39Å
1015	S	55.8	Low	53.3	Low	67 Å²	67	136.1 Å²	136.1	47%	0.469	65%	0.649	S	S	.	*	H	α-helix	trans	-65.7	-38.9	174.8	90.2	0	0	0	0	111.7	E1011 Q1012 R1018 K1019	E1011-S1015 WeakPolarHBondContact O-CB 3.35Å; E1011-S1015 PolarHBondContact O-N 3.03Å; Q1012-S1015 PolarHBondContact O-N 3.03Å; Q1012-S1015 PolarHBondContact O-OG 3.2Å; S1015-R1018 PolarHBondContact O-N 3.33Å; S1015-K1019 PolarHBondContact O-N 2.83Å
1016	M	52.8	Low	51.8	Low	126 Å²	126	133.1 Å²	133.1	62%	0.621	66%	0.656	S	S	*	*	H	α-helix	trans	-70.4	-36.5	176.1	-79.3	-84.3	-87.6	0	0	112.2	Q1012 S1013 K1019 R1020	Q1012-M1016 WeakPolarHBondContact O-CG 3Å; Q1012-M1016 PolarHBondContact O-N 3.05Å; S1013-M1016 PolarHBondContact O-N 2.79Å; M1016-K1019 PolarHBondContact O-N 3.45Å; M1016-R1020 PolarHBondContact O-N 2.94Å; M1016-R1020 VanDerWaalsContact O-N 3.11Å
1017	S	54	Low	50.1	Low	68 Å²	68	131.7 Å²	131.7	48%	0.476	67%	0.67	S	S	.	*	H	α-helix	trans	-71.7	-34.6	175.5	91.8	0	0	0	0	112.6	S1013 R1014 R1020 K1021	S1013-S1017 PolarHBondContact O-N 3.27Å; R1014-S1017 PolarHBondContact O-N 2.89Å; R1014-S1017 PolarHBondContact O-OG 2.69Å; S1017-R1020 PolarHBondContact O-N 3.23Å; S1017-K1021 PolarHBondContact O-N 3.14Å
1018	R	52.1	Low	48.7	Very low	209 Å²	209	128.5 Å²	128.5	79%	0.789	68%	0.675	S	S	*	*	H	α-helix	trans	-67.1	-36.6	172.7	-82.6	-176.3	171.9	171.6	-0.5	112.2	R1014 S1015 R1020 K1021	R1014-R1018 PolarHBondContact O-N 3.39Å; S1015-R1018 PolarHBondContact O-N 3.33Å; R1018-R1020 VanDerWaalsContact C-N 3.34Å; R1018-R1020 PolarHBondContact O-N 3.4Å; R1018-K1021 PolarHBondContact O-N 3.29Å
1019	K	48.9	Very low	47.2	Very low	169 Å²	169	135 Å²	135	74%	0.735	69%	0.694	S	S	*	*	H	α-helix	trans	-67.7	-30.7	172.2	-89.5	-179.4	176.6	171.8	0	113.3	S1015 M1016	S1015-K1019 PolarHBondContact O-N 2.83Å; M1016-K1019 PolarHBondContact O-N 3.45Å
1020	R	48.4	Very low	45.7	Very low	209 Å²	209	132.2 Å²	132.2	79%	0.789	70%	0.699	S	S	*	*	H	α-helix	trans	-78	-19.5	177	-83.6	-176	166	176.9	-2.6	115	M1016 S1017 R1018	M1016-R1020 PolarHBondContact O-N 2.94Å; M1016-R1020 VanDerWaalsContact O-N 3.11Å; S1017-R1020 PolarHBondContact O-N 3.23Å; R1018-R1020 VanDerWaalsContact C-N 3.34Å; R1018-R1020 PolarHBondContact O-N 3.4Å
1021	K	46.7	Very low	44.3	Very low	194 Å²	194	132.7 Å²	132.7	84%	0.843	71%	0.714	S	S	*	*	H	α-helix	trans	-90.4	-6.5	175.6	-81.8	-172.2	176.2	178.4	0	115.2	S1017 R1018	S1017-K1021 PolarHBondContact O-N 3.14Å; R1018-K1021 PolarHBondContact O-N 3.29Å
1022	A	43.7	Very low	43.1	Very low	88 Å²	88	133.5 Å²	133.5	73%	0.727	72%	0.723	S	S	*	*	S	Bend	trans	-97.8	2	178.1	0	0	0	0	0	114.7
1023	S	38.9	Very low	42.1	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	74%	0.739	S	S	*	*			trans	-101.4	16.6	-174.5	62.6	0	0	0	0	115.9
1024	V	36.5	Very low	40.9	Very low	118 Å²	118	139.1 Å²	139.1	72%	0.715	75%	0.75	S	S	*	*	S	Bend	trans	-120.3	78.6	172.2	-174.4	0	0	0	0	109.4
1025	H	32.1	Very low	39.6	Very low	173 Å²	173	136.6 Å²	136.6	80%	0.801	76%	0.756	S	S	*	*	S	Bend	trans	162.5	100.5	143.4	-90.5	30	0	0	0	110.3
1026	S	35	Very low	38.4	Very low	121 Å²	121	144 Å²	144	85%	0.846	77%	0.774	S	S	*	*				160.8	112.1	120.6	54.4	0	0	0	0	110.3	G1028	S1026-G1028 PolarHBondContact O-N 3.1Å
1027	S	31.6	Very low	37.5	Very low	130 Å²	130	147.1 Å²	147.1	91%	0.909	79%	0.786	S	S	*	*			trans	-59.7	123.3	164.4	48.4	0	0	0	0	110.6
1028	G	34	Very low	36.6	Very low	75 Å²	75	149.6 Å²	149.6	77%	0.773	80%	0.804	S	S	*	*			trans	-153.7	83.4	179.8	0	0	0	0	0	112.2	S1026	S1026-G1028 PolarHBondContact O-N 3.1Å
1029	R	30.5	Very low	35.7	Very low	258 Å²	258	145.2 Å²	145.2	97%	0.974	81%	0.805	S	S	*	*			trans	-35.7	140.6	161.8	-116.5	168.5	162.6	176.2	-4.8	113.2
1030	G	30.7	Very low	35	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	81%	0.808	S	S	*	*			trans	149.5	99.7	144.4	0	0	0	0	0	118.5
1031	S	33	Very low	34.5	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	81%	0.808	S	S	*	*			trans	60.7	104.8	141.2	67.5	0	0	0	0	121
1032	N	31	Very low	34.3	Very low	163 Å²	163	133.9 Å²	133.9	87%	0.872	80%	0.804	S	S	*	*				9.3	113.5	115.8	-101.9	-1.5	0	0	0	116.6
1033	R	35.7	Very low	33.8	Very low	251 Å²	251	139.5 Å²	139.5	95%	0.947	81%	0.812	S	S	*	*			trans	-151.6	110.2	141.4	-105	176.3	-177.4	-178.1	0.6	108.6
1034	G	30.6	Very low	33.6	Very low	70 Å²	70	144.6 Å²	144.6	72%	0.722	82%	0.822	S	S	*	*			trans	-75.4	153.2	158.8	0	0	0	0	0	109.6
1035	S	30.2	Very low	33.3	Very low	103 Å²	103	148.6 Å²	148.6	72%	0.72	83%	0.83	S	S	*	*				169.3	136.4	117.8	72.4	0	0	0	0	110.3
1036	R	30.9	Very low	33.3	Very low	224 Å²	224	151.8 Å²	151.8	85%	0.845	84%	0.835	S	S	*	*			trans	78.9	109.6	137.1	-76.2	171.9	169.9	-173.2	-4.2	119.5
1037	H	32.8	Very low	33.3	Very low	190 Å²	190	159.6 Å²	159.6	88%	0.88	85%	0.854	S	S	*	*				46.4	111.8	120.7	-75.2	-56.3	0	0	0	118.2
1038	S	35.4	Very low	33.4	Very low	121 Å²	121	161.1 Å²	161.1	85%	0.846	85%	0.851	S	S	*	*			trans	-135.6	115.4	140.8	60.7	0	0	0	0	109.7
1039	S	33.9	Very low	33.4	Very low	116 Å²	116	165.6 Å²	165.6	81%	0.811	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-50.6	129.7	175.2	44.5	0	0	0	0	114.5
1040	A	32.5	Very low	33.5	Very low	97 Å²	97	160.4 Å²	160.4	80%	0.802	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-79.6	127.7	161.4	0	0	0	0	0	110.3
1041	P	38.3	Very low	33.7	Very low	120 Å²	120	165.9 Å²	165.9	78%	0.779	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-88.6	154.4	168.7	33.5	-28.1	0	0	0	111.1
1042	P	42.1	Very low	33.8	Very low	117 Å²	117	169.2 Å²	169.2	76%	0.76	86%	0.861	S	S	*	*			trans	-106.2	156.8	-146.4	36.5	-28.6	0	0	0	115.2	K1044	P1042-K1044 PolarHBondContact O-N 3.1Å
1043	K	35.1	Very low	33.9	Very low	207 Å²	207	169.6 Å²	169.6	90%	0.9	86%	0.861	S	S	*	*			trans	-19.6	112	157.4	-69.8	175.2	173.5	177.2	0	114.1
1044	K	32.9	Very low	33.8	Very low	202 Å²	202	163.8 Å²	163.8	88%	0.878	85%	0.854	S	S	*	*			trans	-98.4	97.6	154.2	-93.1	-179.6	174.9	174.8	0	108.8	P1042	P1042-K1044 PolarHBondContact O-N 3.1Å
1045	K	30.7	Very low	34.1	Very low	202 Å²	202	171 Å²	171	88%	0.878	87%	0.865	S	S	*	*			trans	-62.4	126.4	147.1	-79.6	-179.1	170	-174.9	0	107.2
1046	R	32.9	Very low	34.4	Very low	239 Å²	239	176.7 Å²	176.7	90%	0.902	88%	0.877	S	S	*	*			trans	-130.1	138.9	150.3	-104.3	-177.9	160	-176.9	-8.3	106.6
1047	K	35.3	Very low	34.7	Very low	285 Å²	285	172.4 Å²	172.4	100%	1.239	88%	0.88	S	S	*	*			trans	-43.1	0	-174.8	-75.1	175.4	166.4	-174.8	0	112.9

Retrieved 1,047 of 1,047 residues in 1037.9 ms (Link to these results)

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