A0A096MUX9_PAPAN Loading...

Coatomer subunit beta'

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins. In mammals, the coatomer can only be recruited by membranes associated to ADP-ribosylation factors (ARFs), which are small GTP-binding proteins; the complex also influences the Golgi structural integrity, as well as the processing, activity, and endocytic recycling of LDL receptors. This coatomer complex protein, essential for Golgi budding and vesicular trafficking, is a selective binding protein (RACK) for protein kinase C, epsilon type. It binds to Golgi membranes in a GTP-dependent manner.

AlphaFold DB , UniProt , Accession A0A096MUX9, Species PAPAN (Papio anubis, Olive baboon), Gene COPB2, Length 906 aa.

						>A0A096MUX9_PAPAN|A0A096MUX9|COPB2
MPLRLDIKRKLTARSDRVKSVDLHPTEPWMLASLYNGSVCVWNHETQTLVKTFEVCDLPVRAAKFVARKNWVVTGADDMQIRVFNYNTLERVHMFEAHSDYIRCIAVHPTQPFILTSSDDMLIKLWDWDKKWSCSQVFEGHTHYVMQIVINPKDNNQFASASLDRTIKVWQLGSSSPNFTLEGHEKGVNCIDYYSGGDKPYLISGADDRLVKIWDYQNKTCVQTLEGHAQNVSCASFHPELPIIITGSEDGTVRIWHSSTYRLESTLNYGMERVWCVASLRGSNNVALGYDEGSIIVKLGREEPAMSMDANGKIIWAKHSEVQQANLKAMGDAEIKDGERLPLAVKDMGSCEIYPQTIQHNPNGRFVVVCGDGEYIIYTAMALRNKSFGSAQEFAWAHDSSEYAIRESNSVVKIFKNFKEKKSFKPDFGAESIYGGFLLGVRSVNGLAFYDWDNTELIRRIEIQPKHIFWSDSGELVCIATEESFFILKYLSEKVLAAQETHEGVTEDGIEDAFEVLGEIQEIVKTGLWVGDCFIYTSSVNRLNYYVGGEIVTIAHLDRTMYLLGYIPKDNRLYLGDKELNIVSYSLLVSVLEYQTAVMRRDFSMADKVLPTIPKEQRTRVAHFLEKQGFKQQALTVSTDPEHRFELALQLGELKIAYQLAVEAESEQKWKQLAELAISKCQFGLAQECLHHAQDYGGLLLLATASGNANMVNKLAEGAERDGKNNVAFMSYFLQGKVDACLELLIRTGRLPEAAFLARTYLPSQVSRVVKLWRENLSKVNQKAAESLADPTEYENLFPGLKEAFVVEEWVKETHADLWPAKQYPLVTPNEERNVMEEAKGFQPSSSTAQQELDGKPASPTPVIVASHTANKEEKSLLELEVDLDNLELEDIDTTDINLDEDILDD
					

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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	51.3	Low	77.3	Confident	133 Å²	133	83.5 Å²	83.5	66%	0.655	38%	0.384	S	S	*	.				0	171.7	0	-73.9	-172.3	-144.6	0	0	108.8	D372	M1-D372 PolarHBondContact N-O 3.25Å
2	P	55.8	Low	78.7	Confident	97 Å²	97	82.5 Å²	82.5	63%	0.63	39%	0.388	S	S	*	.			trans	-54.9	142.1	168.5	21.5	-32.9	0	0	0	110.7	R4 E264	P2-R4 PolarHBondContact O-N 2.98Å; P2-R4 VanDerWaalsContact O-N 3.09Å; P2-E264 WeakPolarHBondContact CA-OE2 3.35Å; P2-E264 WeakPolarHBondContact CB-OE2 3.39Å
3	L	67.6	Low	79.9	Confident	9 Å²	9	76.5 Å²	76.5	5%	0.047	36%	0.362	C	S	.	.			trans	-72	105.2	-177	-166.8	145.1	0	0	0	108.3	L5 P242 E264 D372	L3-L5 HydrophobicContact CD2-CD1 4.3Å; L3-L5 HydrophobicContact CD2-CD2 3.26Å; L3-L5 HydrophobicContact CD2-CG 3.51Å; L3-L5 PolarHBondContact O-N 3.3Å; L3-P242 HydrophobicContact CD1-CG 3.73Å; L3-E264 PolarHBondContact N-OE2 3.06Å; L3-D372 VanDerWaalsContact CD1-OD1 3.22Å; L3-D372 WeakPolarHBondContact CD1-OD1 3.24Å
4	R	68.1	Low	80.9	Confident	195 Å²	195	84.4 Å²	84.4	74%	0.736	39%	0.386	S	S	*	.			trans	-77.8	90	-173	-153.2	179.4	-167.5	178.4	2.5	110.3	P2	P2-R4 PolarHBondContact O-N 2.98Å; P2-R4 VanDerWaalsContact O-N 3.09Å
5	L	75.9	Confident	81.7	Confident	31 Å²	31	80.9 Å²	80.9	16%	0.162	38%	0.376	C	S	.	.			trans	-78.3	126.9	174.2	-65.1	172	0	0	0	110.4	L3 I7 L241 I243 I255	L3-L5 HydrophobicContact CD2-CD1 4.3Å; L3-L5 HydrophobicContact CD2-CD2 3.26Å; L3-L5 HydrophobicContact CD2-CG 3.51Å; L3-L5 PolarHBondContact O-N 3.3Å; L5-I7 HydrophobicContact CB-CD1 4.28Å; L5-I7 HydrophobicContact CB-CG1 3.84Å; L5-I7 PolarHBondContact O-N 3.01Å; L5-L241 HydrophobicContact CD2-CD1 4.24Å; L5-I243 HydrophobicContact CD1-CD1 4.02Å; L5-I243 HydrophobicContact CD1-CG2 4.32Å; L5-I255 HydrophobicContact CD1-CD1 4.22Å; L5-I255 HydrophobicContact CD1-CG2 3.89Å
6	D	81.3	Confident	82.5	Confident	75 Å²	75	81.4 Å²	81.4	40%	0.401	38%	0.382	S	S	.	.			trans	-76.5	102	163.3	-177.3	18.1	0	0	0	108.3	K8 G300	D6-K8 WeakPolarHBondContact OD1-CE 3.24Å; D6-K8 WeakPolarHBondContact OD2-CE 3.2Å; D6-K8 IonicContact OD2-NZ 3.78Å; D6-K8 PolarHBondContact OD2-NZ 3.15Å; D6-G300 WeakPolarHBondContact O-CA 3Å; D6-G300 PolarHBondContact O-N 2.9Å
7	I	87.7	Confident	83.4	Confident	47 Å²	47	80.9 Å²	80.9	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	108.6	-174.7	-59.1	-179.4	0	0	0	108.6	L5 I255 L267 V297 L299	L5-I7 HydrophobicContact CB-CD1 4.28Å; L5-I7 HydrophobicContact CB-CG1 3.84Å; L5-I7 PolarHBondContact O-N 3.01Å; I7-I255 HydrophobicContact CD1-CD1 3.76Å; I7-L267 HydrophobicContact CD1-CD1 4.42Å; I7-L267 HydrophobicContact CD1-CD2 3.97Å; I7-L267 HydrophobicContact CG2-CD1 4.34Å; I7-L267 HydrophobicContact CG2-CD2 4.3Å; I7-V297 HydrophobicContact CG2-CG1 3.29Å; I7-L299 HydrophobicContact CD1-CD2 4.35Å; I7-L299 HydrophobicContact CG1-CD2 3.98Å; I7-L299 HydrophobicContact CG2-CD2 4.15Å
8	K	89.4	Confident	84.1	Confident	115 Å²	115	76.4 Å²	76.4	50%	0.5	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131	-179.4	-70.8	179.2	174	160.5	0	111.1	D6 V297 K298	D6-K8 WeakPolarHBondContact OD1-CE 3.24Å; D6-K8 WeakPolarHBondContact OD2-CE 3.2Å; D6-K8 IonicContact OD2-NZ 3.78Å; D6-K8 PolarHBondContact OD2-NZ 3.15Å; K8-V297 CarbonylContact O-C 3.57Å; K8-V297 WeakPolarHBondContact O-CA 3.38Å; K8-K298 PolarHBondContact N-O 2.69Å; K8-K298 PolarHBondContact O-N 3.14Å
9	R	90.5	Very high	84.7	Confident	167 Å²	167	74 Å²	74	63%	0.63	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	123.9	173.1	-67.4	-176.5	-70.8	-177.2	0.2	109.1	Y269	R9-Y269 HydrophobicContact CG-CE1 4.05Å
10	K	90.1	Very high	85.3	Confident	45 Å²	45	70.9 Å²	70.9	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-46.3	175.8	-81.7	-167.7	169.7	177.7	0	112.4	Q47 N285 I296 K298	K10-Q47 PolarHBondContact O-NE2 3.45Å; K10-N285 WeakPolarHBondContact CE-OD1 3.41Å; K10-N285 PolarHBondContact NZ-ND2 3.22Å; K10-N285 VanDerWaalsContact NZ-ND2 3.11Å; K10-N285 PolarHBondContact NZ-OD1 3.42Å; K10-I296 HydrophobicContact CB-CB 4.45Å; K10-I296 HydrophobicContact CB-CG2 4.2Å; K10-I296 PolarHBondContact N-O 3.48Å; K10-K298 HydrophobicContact CD-CB 4.39Å; K10-K298 HydrophobicContact CG-CB 4.29Å
11	L	92.9	Very high	85.8	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.7	-177.7	179.6	67.7	0	0	0	109.5	M30 W42 H44 Q47 I295 I296	L11-M30 HydrophobicContact CD2-CE 3.49Å; L11-M30 VanDerWaalsContact CD2-CE 3.49Å; L11-W42 HydrophobicContact CD2-CB 3.75Å; L11-W42 HydrophobicContact CD2-CG 4.2Å; L11-H44 HydrophobicContact CB-CB 4.22Å; L11-H44 HydrophobicContact CD2-CB 4.17Å; L11-Q47 HydrophobicContact CD1-CB 4.05Å; L11-Q47 HydrophobicContact CD1-CG 4.21Å; L11-I295 WeakPolarHBondContact O-CA 3.33Å; L11-I295 WeakPolarHBondContact O-CG2 3.42Å; L11-I296 HydrophobicContact CB-CB 4.12Å; L11-I296 HydrophobicContact CB-CD1 4.13Å; L11-I296 HydrophobicContact CB-CG1 4.37Å; L11-I296 HydrophobicContact CD2-CD1 3.86Å; L11-I296 PolarHBondContact N-O 3.4Å; L11-I296 PolarHBondContact O-N 2.94Å
12	T	94.4	Very high	88	Confident	71 Å²	71	62.6 Å²	62.6	44%	0.436	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	111.6	166.8	-63.6	0	0	0	0	107.1	M271 I295	T12-M271 HydrophobicContact CG2-CE 3.44Å; T12-M271 VanDerWaalsContact CG2-CE 3.44Å; T12-I295 HydrophobicContact CG2-CD1 4.41Å; T12-I295 HydrophobicContact CG2-CG1 4.15Å
13	A	93.8	Very high	89.8	Confident	5 Å²	5	58.5 Å²	58.5	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.1	-178	0	0	0	0	0	108.8	W42 G293 S294	A13-W42 HydrophobicContact CB-CD2 4.02Å; A13-W42 HydrophobicContact CB-CE3 4.24Å; A13-W42 HydrophobicContact CB-CH2 3.93Å; A13-W42 HydrophobicContact CB-CZ2 3.68Å; A13-W42 HydrophobicContact CB-CZ3 4.19Å; A13-G293 CarbonylContact O-C 3.57Å; A13-G293 VanDerWaalsContact O-CA 3.3Å; A13-G293 WeakPolarHBondContact O-CA 3.14Å; A13-S294 PolarHBondContact N-O 3.49Å; A13-S294 PolarHBondContact O-N 3.16Å
14	R	93.9	Very high	91.1	Very high	186 Å²	186	58.2 Å²	58.2	70%	0.702	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	134	173.2	-73.4	-172.1	174.1	-153.2	-7.2	110	M271 E292	R14-M271 HydrophobicContact CG-CE 3.79Å; R14-M271 HydrophobicContact CG-SD 4.27Å; R14-E292 WeakPolarHBondContact CA-O 2.97Å
15	S	93.6	Very high	92.1	Very high	33 Å²	33	52.6 Å²	52.6	23%	0.231	25%	0.251	C	S	.	.			trans	-156.3	-179.1	176.2	65.6	0	0	0	0	109.5	L34 E292 G293	S15-L34 WeakPolarHBondContact OG-CD2 3.41Å; S15-E292 PolarHBondContact N-O 2.68Å; S15-E292 CarbonylContact O-C 3.56Å; S15-G293 PolarHBondContact O-N 2.91Å; S15-G293 WeakPolarHBondContact OG-CA 3.4Å
16	D	94.3	Very high	92.7	Very high	88 Å²	88	56.5 Å²	56.5	47%	0.471	28%	0.276	S	S	.	.	S	Bend	trans	-59.1	166.4	162.7	-70.9	-24	0	0	0	111	V18 N36	D16-V18 PolarHBondContact O-N 2.96Å; D16-N36 WeakPolarHBondContact OD2-CB 3.49Å; D16-N36 PolarHBondContact OD2-ND2 3.4Å
17	R	97	Very high	93.1	Very high	74 Å²	74	57.2 Å²	57.2	28%	0.279	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-46.6	120.2	-178.9	174.9	-175.2	-62	156.9	8.2	112.2	K19 L34 Y35 D291	R17-K19 HydrophobicContact CG-CD 3.84Å; R17-L34 CarbonylContact O-C 2.96Å; R17-L34 WeakPolarHBondContact O-CA 3.39Å; R17-Y35 WeakPolarHBondContact O-CB 3.4Å; R17-Y35 PolarHBondContact O-N 3.43Å; R17-D291 WeakPolarHBondContact CA-O 3.28Å; R17-D291 WeakPolarHBondContact CD-OD1 3.4Å; R17-D291 WeakPolarHBondContact CG-OD1 3.29Å; R17-D291 IonicContact CZ-OD1 2.79Å; R17-D291 PolarHBondContact N-O 2.99Å; R17-D291 VanDerWaalsContact N-O 3.11Å; R17-D291 IonicContact NE-OD1 3.27Å; R17-D291 PolarHBondContact NE-OD1 3.09Å; R17-D291 IonicContact NH2-OD1 3.62Å; R17-D291 IonicContact NH2-OD2 2.65Å
18	V	96.9	Very high	93.3	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121	178.3	-175.3	0	0	0	0	109.2	D16 S20 V21 A32 S33 L34 W275 Y290 G293	D16-V18 PolarHBondContact O-N 2.96Å; V18-S20 WeakPolarHBondContact CG1-O 3.28Å; V18-V21 HydrophobicContact CG1-CG1 3.64Å; V18-A32 HydrophobicContact CG1-CB 3.95Å; V18-S33 CarbonylContact C-O 3.45Å; V18-S33 WeakPolarHBondContact CA-O 3.27Å; V18-L34 HydrophobicContact CB-CD2 4.46Å; V18-L34 HydrophobicContact CG2-CD2 3.7Å; V18-W275 WeakPolarHBondContact O-CB 3.3Å; V18-Y290 PolarHBondContact N-O 2.92Å; V18-G293 VanDerWaalsContact CG2-C 3.47Å; V18-G293 WeakPolarHBondContact CG2-O 3.43Å
19	K	95.9	Very high	93.5	Very high	30 Å²	30	52.2 Å²	52.2	13%	0.13	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-33.4	-177.8	-64.4	-52.2	-55.3	171.8	0	113.3	R17 S33 Y35	R17-K19 HydrophobicContact CG-CD 3.84Å; K19-S33 PolarHBondContact N-O 2.88Å; K19-Y35 HydrophobicContact CD-CD2 4.1Å; K19-Y35 HydrophobicContact CG-CD2 4.15Å
20	S	95.4	Very high	93.8	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.7	170.7	69.8	0	0	0	0	111.6	V18 S33 R61 A62 A63 C276	V18-S20 WeakPolarHBondContact CG1-O 3.28Å; S20-S33 PolarHBondContact N-OG 2.93Å; S20-S33 VanDerWaalsContact N-OG 3.13Å; S20-S33 PolarHBondContact O-N 2.94Å; S20-S33 WeakPolarHBondContact OG-CB 3.5Å; S20-S33 PolarHBondContact OG-OG 3.15Å; S20-R61 VanDerWaalsContact CB-O 3.28Å; S20-R61 WeakPolarHBondContact CB-O 3.44Å; S20-A62 WeakPolarHBondContact OG-CA 3.34Å; S20-A63 PolarHBondContact OG-N 2.95Å; S20-C276 VanDerWaalsContact C-SG 3.58Å; S20-C276 WeakPolarHBondContact CA-SG 3.44Å
21	V	96.6	Very high	94.1	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.9	170.1	-67.4	0	0	0	0	109.8	V18 L31 K64 C276 A278 A287	V18-V21 HydrophobicContact CG1-CG1 3.64Å; V21-L31 VanDerWaalsContact CA-O 3.23Å; V21-L31 WeakPolarHBondContact CA-O 3.47Å; V21-K64 PolarHBondContact O-NZ 3.32Å; V21-C276 HydrophobicContact CG2-CB 4.31Å; V21-A278 HydrophobicContact CG2-CB 3.82Å; V21-A287 HydrophobicContact CB-CB 4.18Å; V21-A287 HydrophobicContact CG2-CB 4.02Å
22	D	96.3	Very high	94.3	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.144	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.1	172.5	-152.9	39.9	0	0	0	110.2	M30 L31 K64 F65	D22-M30 WeakPolarHBondContact O-CA 3.22Å; D22-L31 HydrophobicContact CB-CB 4.12Å; D22-L31 HydrophobicContact CB-CD2 4.26Å; D22-L31 PolarHBondContact N-O 3.35Å; D22-L31 PolarHBondContact O-N 2.75Å; D22-K64 HydrophobicContact CB-CD 4.04Å; D22-K64 VanDerWaalsContact OD1-CD 3.3Å; D22-K64 WeakPolarHBondContact OD1-CD 3.31Å; D22-K64 IonicContact OD1-NZ 3.75Å; D22-K64 PolarHBondContact OD1-NZ 3.49Å; D22-K64 WeakPolarHBondContact OD2-CA 3.3Å; D22-K64 WeakPolarHBondContact OD2-CD 3.35Å; D22-F65 HydrophobicContact CB-CD2 4.36Å; D22-F65 PolarHBondContact OD2-N 2.9Å
23	L	95.1	Very high	94.4	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.058	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.8	178.8	-70.1	173.4	0	0	0	109.3	M30 L280 A287 I296	L23-M30 HydrophobicContact CD2-CB 3.86Å; L23-M30 HydrophobicContact CD2-CG 4.19Å; L23-L280 HydrophobicContact CB-CB 4.02Å; L23-L280 HydrophobicContact CD1-CB 3.7Å; L23-A287 HydrophobicContact CD1-CB 4.23Å; L23-A287 HydrophobicContact CD2-CB 4.02Å; L23-A287 HydrophobicContact CG-CB 4.07Å; L23-I296 HydrophobicContact CD2-CD1 4.35Å
24	H	94.5	Very high	94.6	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.014	19%	0.193	C	C	.	.			trans	-71.6	138.8	175.6	-168	-83.9	0	0	0	109.9	T26 E27 W29 F65 Y86	H24-T26 PolarHBondContact CE1-OG1 3.1Å; H24-T26 PolarHBondContact ND1-N 3.49Å; H24-T26 PolarHBondContact ND1-OG1 3.03Å; H24-E27 HydrophobicContact CB-CB 4.37Å; H24-E27 WeakPolarHBondContact ND1-CB 3.49Å; H24-E27 PolarHBondContact ND1-N 3.08Å; H24-W29 HydrophobicContact CB-CB 3.94Å; H24-W29 PolarHBondContact N-O 3.43Å; H24-F65 HydrophobicContact CB-CD2 3.93Å; H24-F65 HydrophobicContact CB-CE2 3.79Å; H24-F65 HydrophobicContact CB-CG 4.47Å; H24-F65 HydrophobicContact CB-CZ 4.26Å; H24-F65 AromaticContact CD2-CD1 3.78Å; H24-F65 AromaticContact CD2-CG 3.89Å; H24-Y86 AromaticContact NE2-CZ 3.6Å; H24-Y86 PolarHBondContact NE2-OH 3.17Å; H24-Y86 VanDerWaalsContact NE2-OH 3.07Å
25	P	89.3	Confident	94.7	Very high	77 Å²	77	34.6 Å²	34.6	50%	0.5	18%	0.179	S	C	.	.	S	Bend	trans	-72.2	-28.4	-173.1	25.2	-34.6	0	0	0	115	A67 L280	P25-A67 HydrophobicContact CG-CB 3.5Å; P25-L280 HydrophobicContact CB-CD1 4.47Å
26	T	87.2	Confident	94.8	Very high	113 Å²	113	36.1 Å²	36.1	69%	0.693	19%	0.185	S	C	*	.	S	Bend	trans	-113.7	-56.3	-177.8	59.1	0	0	0	0	112.5	H24	H24-T26 PolarHBondContact CE1-OG1 3.1Å; H24-T26 PolarHBondContact ND1-N 3.49Å; H24-T26 PolarHBondContact ND1-OG1 3.03Å
27	E	90.1	Very high	94.8	Very high	89 Å²	89	32 Å²	32	42%	0.416	16%	0.162	S	C	.	.	S	Bend	trans	-66.1	146.9	174.1	-58.3	-58.6	143.6	0	0	112.7	H24 W29	H24-E27 HydrophobicContact CB-CB 4.37Å; H24-E27 WeakPolarHBondContact ND1-CB 3.49Å; H24-E27 PolarHBondContact ND1-N 3.08Å; E27-W29 HydrophobicContact CB-CB 4.4Å; E27-W29 HydrophobicContact CB-CD2 3.78Å; E27-W29 HydrophobicContact CB-CE3 4.13Å; E27-W29 HydrophobicContact CB-CG 3.9Å; E27-W29 HydrophobicContact CG-CD2 4.32Å; E27-W29 HydrophobicContact CG-CE3 4.35Å; E27-W29 HydrophobicContact CG-CH2 4.43Å; E27-W29 HydrophobicContact CG-CZ2 4.4Å; E27-W29 HydrophobicContact CG-CZ3 4.4Å; E27-W29 PolarHBondContact O-N 3.3Å
28	P	91.4	Very high	94.7	Very high	23 Å²	23	29 Å²	29	15%	0.149	15%	0.153	C	C	.	.	S	Bend	trans	-76.3	48.7	177.2	33.3	-36.7	0	0	0	112.3	N43 H44 E45	P28-N43 WeakPolarHBondContact O-CA 3.48Å; P28-N43 PolarHBondContact O-OD1 2.72Å; P28-H44 VanDerWaalsContact C-CD2 3.43Å; P28-H44 VanDerWaalsContact C-NE2 3.28Å; P28-H44 VanDerWaalsContact CA-CE1 3.48Å; P28-H44 WeakPolarHBondContact CA-CE1 3.44Å; P28-H44 WeakPolarHBondContact CA-NE2 3.49Å; P28-H44 VanDerWaalsContact CB-CE1 3.43Å; P28-H44 WeakPolarHBondContact CB-CE1 3.42Å; P28-H44 PolarHBondContact O-CD2 3.23Å; P28-H44 PolarHBondContact O-N 3.17Å; P28-H44 PolarHBondContact O-NE2 3.1Å; P28-E45 HydrophobicContact CB-CB 4.29Å; P28-E45 HydrophobicContact CB-CG 3.71Å; P28-E45 HydrophobicContact CG-CG 4.43Å
29	W	95	Very high	94.7	Very high	34 Å²	34	29 Å²	29	13%	0.129	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.4	-173.4	-65.5	-7.1	0	0	0	112.7	H24 E27 V41 W42 V50 F65 Y86	H24-W29 HydrophobicContact CB-CB 3.94Å; H24-W29 PolarHBondContact N-O 3.43Å; E27-W29 HydrophobicContact CB-CB 4.4Å; E27-W29 HydrophobicContact CB-CD2 3.78Å; E27-W29 HydrophobicContact CB-CE3 4.13Å; E27-W29 HydrophobicContact CB-CG 3.9Å; E27-W29 HydrophobicContact CG-CD2 4.32Å; E27-W29 HydrophobicContact CG-CE3 4.35Å; E27-W29 HydrophobicContact CG-CH2 4.43Å; E27-W29 HydrophobicContact CG-CZ2 4.4Å; E27-W29 HydrophobicContact CG-CZ3 4.4Å; E27-W29 PolarHBondContact O-N 3.3Å; W29-V41 HydrophobicContact CB-CG1 3.97Å; W29-V41 HydrophobicContact CD2-CG1 4.05Å; W29-V41 HydrophobicContact CE3-CG1 4.1Å; W29-V41 HydrophobicContact CG-CG1 4.02Å; W29-W42 CarbonylContact C-O 3.52Å; W29-W42 VanDerWaalsContact CA-O 3.25Å; W29-W42 WeakPolarHBondContact CA-O 3.45Å; W29-V50 HydrophobicContact CZ2-CG1 4.28Å; W29-F65 HydrophobicContact CB-CZ 4.43Å; W29-Y86 HydrophobicContact CH2-CD2 4.43Å; W29-Y86 AromaticContact CZ3-CD2 3.66Å; W29-Y86 HydrophobicContact CZ3-CD2 3.66Å; W29-Y86 AromaticContact CZ3-CE2 3.82Å; W29-Y86 HydrophobicContact CZ3-CE2 3.82Å; W29-Y86 HydrophobicContact CZ3-CG 4.45Å
30	M	96.1	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.8	168.5	175	-171.1	65.4	0	0	109.8	L11 D22 L23 V41 W42 A287 S294 I296	L11-M30 HydrophobicContact CD2-CE 3.49Å; L11-M30 VanDerWaalsContact CD2-CE 3.49Å; D22-M30 WeakPolarHBondContact O-CA 3.22Å; L23-M30 HydrophobicContact CD2-CB 3.86Å; L23-M30 HydrophobicContact CD2-CG 4.19Å; M30-V41 CarbonylContact O-C 3.59Å; M30-V41 WeakPolarHBondContact O-CA 3.26Å; M30-W42 HydrophobicContact CE-CB 3.98Å; M30-W42 HydrophobicContact CE-CG 4.01Å; M30-W42 PolarHBondContact N-O 3.23Å; M30-W42 PolarHBondContact O-N 3.02Å; M30-A287 HydrophobicContact CG-CB 4.25Å; M30-A287 HydrophobicContact SD-CB 3.91Å; M30-S294 VanDerWaalsContact CE-OG 3.24Å; M30-S294 WeakPolarHBondContact CE-OG 3.39Å; M30-I296 HydrophobicContact CB-CD1 3.64Å; M30-I296 HydrophobicContact CE-CD1 4.14Å; M30-I296 HydrophobicContact CE-CG1 4.4Å; M30-I296 HydrophobicContact CG-CD1 4.07Å; M30-I296 HydrophobicContact CG-CG1 4.48Å; M30-I296 HydrophobicContact SD-CD1 3.54Å; M30-I296 VanDerWaalsContact SD-CD1 3.54Å; M30-I296 HydrophobicContact SD-CG1 3.49Å; M30-I296 WeakPolarHBondContact SD-CG1 3.28Å
31	L	96.7	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.2	169.3	-170.7	67.5	0	0	0	109.4	V21 D22 V39 C40 V41 A63 F65 V72	V21-L31 VanDerWaalsContact CA-O 3.23Å; V21-L31 WeakPolarHBondContact CA-O 3.47Å; D22-L31 HydrophobicContact CB-CB 4.12Å; D22-L31 HydrophobicContact CB-CD2 4.26Å; D22-L31 PolarHBondContact N-O 3.35Å; D22-L31 PolarHBondContact O-N 2.75Å; L31-V39 HydrophobicContact CD1-CG1 3.33Å; L31-V39 HydrophobicContact CG-CG1 4.11Å; L31-C40 CarbonylContact C-O 3.51Å; L31-C40 WeakPolarHBondContact CA-O 3.45Å; L31-V41 HydrophobicContact CD1-CG2 3.72Å; L31-A63 HydrophobicContact CD2-CB 3.62Å; L31-A63 HydrophobicContact CG-CB 4.2Å; L31-F65 HydrophobicContact CB-CD2 4.1Å; L31-F65 HydrophobicContact CB-CE2 3.5Å; L31-F65 HydrophobicContact CB-CZ 3.88Å; L31-F65 HydrophobicContact CD1-CZ 4.26Å; L31-F65 HydrophobicContact CD2-CD2 4.43Å; L31-F65 HydrophobicContact CD2-CE2 4.45Å; L31-F65 HydrophobicContact CG-CE2 4.45Å; L31-V72 HydrophobicContact CD1-CG1 4.08Å; L31-V72 HydrophobicContact CD1-CG2 4.12Å; L31-V72 HydrophobicContact CD2-CG1 3.7Å; L31-V72 HydrophobicContact CD2-CG2 4.3Å
32	A	97.2	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.5	172.8	0	0	0	0	0	109.6	V18 V39 C40	V18-A32 HydrophobicContact CG1-CB 3.95Å; A32-V39 WeakPolarHBondContact O-CA 3.33Å; A32-C40 PolarHBondContact N-O 3.19Å; A32-C40 PolarHBondContact O-N 3.14Å
33	S	96.9	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130	173.5	81.3	0	0	0	0	110.7	V18 K19 S20 V60	V18-S33 CarbonylContact C-O 3.45Å; V18-S33 WeakPolarHBondContact CA-O 3.27Å; K19-S33 PolarHBondContact N-O 2.88Å; S20-S33 PolarHBondContact N-OG 2.93Å; S20-S33 VanDerWaalsContact N-OG 3.13Å; S20-S33 PolarHBondContact O-N 2.94Å; S20-S33 WeakPolarHBondContact OG-CB 3.5Å; S20-S33 PolarHBondContact OG-OG 3.15Å; S33-V60 WeakPolarHBondContact CB-O 3.29Å; S33-V60 PolarHBondContact OG-O 2.74Å
34	L	96.9	Very high	94.4	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	154.2	-171.4	-54	-172.1	0	0	0	112	S15 R17 V18 N36 G37 S38 V60	S15-L34 WeakPolarHBondContact OG-CD2 3.41Å; R17-L34 CarbonylContact O-C 2.96Å; R17-L34 WeakPolarHBondContact O-CA 3.39Å; V18-L34 HydrophobicContact CB-CD2 4.46Å; V18-L34 HydrophobicContact CG2-CD2 3.7Å; L34-N36 VanDerWaalsContact CB-OD1 3.25Å; L34-N36 WeakPolarHBondContact CB-OD1 3.46Å; L34-N36 PolarHBondContact O-N 3.14Å; L34-G37 PolarHBondContact O-N 3.2Å; L34-S38 WeakPolarHBondContact CB-O 3.31Å; L34-S38 PolarHBondContact N-O 3.46Å; L34-V60 PolarHBondContact O-N 3.46Å
35	Y	95.8	Very high	94.1	Very high	102 Å²	102	35.5 Å²	35.5	40%	0.4	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.5	176.9	-168.6	-101	0	0	0	113.2	R17 K19 G37 P59	R17-Y35 WeakPolarHBondContact O-CB 3.4Å; R17-Y35 PolarHBondContact O-N 3.43Å; K19-Y35 HydrophobicContact CD-CD2 4.1Å; K19-Y35 HydrophobicContact CG-CD2 4.15Å; Y35-G37 PolarHBondContact O-N 2.98Å; Y35-P59 HydrophobicContact CD1-CG 4.29Å; Y35-P59 HydrophobicContact CD2-CB 3.56Å; Y35-P59 HydrophobicContact CD2-CG 3.58Å; Y35-P59 HydrophobicContact CE1-CG 4.09Å; Y35-P59 HydrophobicContact CE2-CB 3.72Å; Y35-P59 HydrophobicContact CE2-CG 3.32Å; Y35-P59 HydrophobicContact CG-CB 4.17Å; Y35-P59 HydrophobicContact CG-CG 4.05Å; Y35-P59 VanDerWaalsContact O-CA 3.25Å; Y35-P59 WeakPolarHBondContact O-CA 3.49Å; Y35-P59 WeakPolarHBondContact O-CB 3.31Å; Y35-P59 VanDerWaalsContact O-CG 3.32Å; Y35-P59 WeakPolarHBondContact O-CG 3.49Å
36	N	95.3	Very high	94.1	Very high	65 Å²	65	35.7 Å²	35.7	35%	0.348	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.1	175.5	69.4	6.6	0	0	0	113.7	D16 L34 S38	D16-N36 WeakPolarHBondContact OD2-CB 3.49Å; D16-N36 PolarHBondContact OD2-ND2 3.4Å; L34-N36 VanDerWaalsContact CB-OD1 3.25Å; L34-N36 WeakPolarHBondContact CB-OD1 3.46Å; L34-N36 PolarHBondContact O-N 3.14Å; N36-S38 VanDerWaalsContact OD1-CB 3.27Å; N36-S38 WeakPolarHBondContact OD1-CB 3.43Å; N36-S38 PolarHBondContact OD1-N 3.48Å; N36-S38 PolarHBondContact OD1-OG 3.37Å
37	G	94.6	Very high	94.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	96.3	1	179.4	0	0	0	0	0	115.9	L34 Y35 V55 C56 L58	L34-G37 PolarHBondContact O-N 3.2Å; Y35-G37 PolarHBondContact O-N 2.98Å; G37-V55 WeakPolarHBondContact O-CB 3.37Å; G37-V55 PolarHBondContact O-N 3.24Å; G37-C56 CarbonylContact C-O 3.55Å; G37-C56 VanDerWaalsContact CA-O 3.23Å; G37-C56 WeakPolarHBondContact CA-O 3.28Å; G37-C56 PolarHBondContact O-N 3.44Å; G37-L58 WeakPolarHBondContact CA-O 3.34Å
38	S	95.9	Very high	94.4	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	156.5	173.3	-61.6	0	0	0	0	112.7	L34 N36	L34-S38 WeakPolarHBondContact CB-O 3.31Å; L34-S38 PolarHBondContact N-O 3.46Å; N36-S38 VanDerWaalsContact OD1-CB 3.27Å; N36-S38 WeakPolarHBondContact OD1-CB 3.43Å; N36-S38 PolarHBondContact OD1-N 3.48Å; N36-S38 PolarHBondContact OD1-OG 3.37Å
39	V	96.3	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.5	170.8	175.4	0	0	0	0	109.4	L31 A32 T52 F53 V55 V60 T74	L31-V39 HydrophobicContact CD1-CG1 3.33Å; L31-V39 HydrophobicContact CG-CG1 4.11Å; A32-V39 WeakPolarHBondContact O-CA 3.33Å; V39-T52 WeakPolarHBondContact O-CA 3.43Å; V39-F53 HydrophobicContact CB-CE1 4.34Å; V39-F53 HydrophobicContact CB-CE2 4.05Å; V39-F53 HydrophobicContact CB-CZ 3.93Å; V39-F53 HydrophobicContact CG1-CE1 4.18Å; V39-F53 HydrophobicContact CG1-CE2 4.43Å; V39-F53 HydrophobicContact CG1-CZ 3.84Å; V39-F53 PolarHBondContact N-O 3.04Å; V39-F53 PolarHBondContact O-N 3.1Å; V39-V55 HydrophobicContact CB-CG2 4.19Å; V39-V55 HydrophobicContact CG2-CG2 3.6Å; V39-V60 HydrophobicContact CG2-CB 4.41Å; V39-V60 HydrophobicContact CG2-CG1 4.08Å; V39-V60 HydrophobicContact CG2-CG2 4.34Å; V39-T74 HydrophobicContact CG2-CG2 4.04Å
40	C	95.6	Very high	94.4	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.1	-178.2	-61.3	0	0	0	0	110.6	L31 A32 L49 K51	L31-C40 CarbonylContact C-O 3.51Å; L31-C40 WeakPolarHBondContact CA-O 3.45Å; A32-C40 PolarHBondContact N-O 3.19Å; A32-C40 PolarHBondContact O-N 3.14Å; C40-L49 HydrophobicContact CB-CD1 4.03Å; C40-K51 CarbonylContact C-O 3.57Å; C40-K51 WeakPolarHBondContact CA-O 3.24Å
41	V	96.3	Very high	94.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.6	172.2	-177	0	0	0	0	108.4	W29 M30 L31 V50 K51 F65	W29-V41 HydrophobicContact CB-CG1 3.97Å; W29-V41 HydrophobicContact CD2-CG1 4.05Å; W29-V41 HydrophobicContact CE3-CG1 4.1Å; W29-V41 HydrophobicContact CG-CG1 4.02Å; M30-V41 CarbonylContact O-C 3.59Å; M30-V41 WeakPolarHBondContact O-CA 3.26Å; L31-V41 HydrophobicContact CD1-CG2 3.72Å; V41-V50 HydrophobicContact CG1-CB 4.3Å; V41-V50 HydrophobicContact CG1-CG2 4.48Å; V41-V50 WeakPolarHBondContact O-CA 3.38Å; V41-V50 WeakPolarHBondContact O-CB 3.35Å; V41-V50 PolarHBondContact O-N 3.46Å; V41-K51 HydrophobicContact CB-CB 4.4Å; V41-K51 PolarHBondContact N-O 3.25Å; V41-K51 PolarHBondContact O-N 3.11Å; V41-F65 HydrophobicContact CG1-CZ 4.3Å
42	W	95.4	Very high	94.1	Very high	42 Å²	42	44.9 Å²	44.9	16%	0.159	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.3	-179.1	-67.8	90.8	0	0	0	110.7	L11 A13 W29 M30 L49	L11-W42 HydrophobicContact CD2-CB 3.75Å; L11-W42 HydrophobicContact CD2-CG 4.2Å; A13-W42 HydrophobicContact CB-CD2 4.02Å; A13-W42 HydrophobicContact CB-CE3 4.24Å; A13-W42 HydrophobicContact CB-CH2 3.93Å; A13-W42 HydrophobicContact CB-CZ2 3.68Å; A13-W42 HydrophobicContact CB-CZ3 4.19Å; W29-W42 CarbonylContact C-O 3.52Å; W29-W42 VanDerWaalsContact CA-O 3.25Å; W29-W42 WeakPolarHBondContact CA-O 3.45Å; M30-W42 HydrophobicContact CE-CB 3.98Å; M30-W42 HydrophobicContact CE-CG 4.01Å; M30-W42 PolarHBondContact N-O 3.23Å; M30-W42 PolarHBondContact O-N 3.02Å; W42-L49 HydrophobicContact CD2-CB 4.38Å; W42-L49 HydrophobicContact CD2-CD1 3.84Å; W42-L49 HydrophobicContact CE3-CB 3.89Å; W42-L49 HydrophobicContact CE3-CD1 4.23Å; W42-L49 HydrophobicContact CG-CD1 4.34Å; W42-L49 HydrophobicContact CH2-CB 3.93Å; W42-L49 HydrophobicContact CH2-CD1 4.18Å; W42-L49 HydrophobicContact CH2-CG 4.48Å; W42-L49 HydrophobicContact CZ2-CB 4.41Å; W42-L49 HydrophobicContact CZ2-CD1 3.78Å; W42-L49 HydrophobicContact CZ3-CB 3.66Å; W42-L49 HydrophobicContact CZ3-CD1 4.4Å
43	N	94.5	Very high	93.9	Very high	25 Å²	25	45.9 Å²	45.9	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.5	164.9	-177.6	-29.4	0	0	0	108.2	P28 E45 T46 Q47 T48 V50	P28-N43 WeakPolarHBondContact O-CA 3.48Å; P28-N43 PolarHBondContact O-OD1 2.72Å; N43-E45 PolarHBondContact OD1-N 3.07Å; N43-T46 VanDerWaalsContact CB-OG1 3.28Å; N43-T46 WeakPolarHBondContact CB-OG1 3.27Å; N43-T46 PolarHBondContact ND2-OG1 3.05Å; N43-T46 PolarHBondContact OD1-N 3.1Å; N43-T46 PolarHBondContact OD1-OG1 2.88Å; N43-Q47 CarbonylContact O-C 3.45Å; N43-Q47 WeakPolarHBondContact O-CA 3.5Å; N43-Q47 PolarHBondContact O-N 3.37Å; N43-T48 PolarHBondContact N-O 3.36Å; N43-T48 PolarHBondContact O-N 3.23Å; N43-V50 HydrophobicContact CB-CG2 3.65Å
44	H	90.6	Very high	93.8	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.046	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.9	-172.9	63	54.4	0	0	0	114.5	L11 P28 I296	L11-H44 HydrophobicContact CB-CB 4.22Å; L11-H44 HydrophobicContact CD2-CB 4.17Å; P28-H44 VanDerWaalsContact C-CD2 3.43Å; P28-H44 VanDerWaalsContact C-NE2 3.28Å; P28-H44 VanDerWaalsContact CA-CE1 3.48Å; P28-H44 WeakPolarHBondContact CA-CE1 3.44Å; P28-H44 WeakPolarHBondContact CA-NE2 3.49Å; P28-H44 VanDerWaalsContact CB-CE1 3.43Å; P28-H44 WeakPolarHBondContact CB-CE1 3.42Å; P28-H44 PolarHBondContact O-CD2 3.23Å; P28-H44 PolarHBondContact O-N 3.17Å; P28-H44 PolarHBondContact O-NE2 3.1Å; H44-I296 HydrophobicContact CB-CD1 3.23Å
45	E	87.9	Confident	93.6	Very high	132 Å²	132	53.6 Å²	53.6	62%	0.617	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-45.4	172	-70.7	-176.9	169.1	0	0	111.2	P28 N43 Q47	P28-E45 HydrophobicContact CB-CB 4.29Å; P28-E45 HydrophobicContact CB-CG 3.71Å; P28-E45 HydrophobicContact CG-CG 4.43Å; N43-E45 PolarHBondContact OD1-N 3.07Å; E45-Q47 VanDerWaalsContact C-N 3.35Å
46	T	89.8	Confident	93.5	Very high	81 Å²	81	49.7 Å²	49.7	50%	0.497	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.3	176.9	59.4	0	0	0	0	113.2	N43 T48	N43-T46 VanDerWaalsContact CB-OG1 3.28Å; N43-T46 WeakPolarHBondContact CB-OG1 3.27Å; N43-T46 PolarHBondContact ND2-OG1 3.05Å; N43-T46 PolarHBondContact OD1-N 3.1Å; N43-T46 PolarHBondContact OD1-OG1 2.88Å; T46-T48 PolarHBondContact O-N 3.43Å; T46-T48 PolarHBondContact OG1-OG1 3.1Å
47	Q	90.7	Very high	93.4	Very high	125 Å²	125	54 Å²	54	58%	0.584	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	25.6	-174	-55.9	179.5	-3.6	0	0	114.2	K10 L11 N43 E45	K10-Q47 PolarHBondContact O-NE2 3.45Å; L11-Q47 HydrophobicContact CD1-CB 4.05Å; L11-Q47 HydrophobicContact CD1-CG 4.21Å; N43-Q47 CarbonylContact O-C 3.45Å; N43-Q47 WeakPolarHBondContact O-CA 3.5Å; N43-Q47 PolarHBondContact O-N 3.37Å; E45-Q47 VanDerWaalsContact C-N 3.35Å
48	T	93	Very high	93.5	Very high	75 Å²	75	57.9 Å²	57.9	46%	0.46	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.9	-179.1	56.2	0	0	0	0	111.8	N43 T46 V50	N43-T48 PolarHBondContact N-O 3.36Å; N43-T48 PolarHBondContact O-N 3.23Å; T46-T48 PolarHBondContact O-N 3.43Å; T46-T48 PolarHBondContact OG1-OG1 3.1Å; T48-V50 PolarHBondContact O-N 3.29Å
49	L	93.6	Very high	93.5	Very high	81 Å²	81	57.9 Å²	57.9	42%	0.424	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	118.4	167.4	-179.5	67	0	0	0	108.3	C40 W42 T52	C40-L49 HydrophobicContact CB-CD1 4.03Å; W42-L49 HydrophobicContact CD2-CB 4.38Å; W42-L49 HydrophobicContact CD2-CD1 3.84Å; W42-L49 HydrophobicContact CE3-CB 3.89Å; W42-L49 HydrophobicContact CE3-CD1 4.23Å; W42-L49 HydrophobicContact CG-CD1 4.34Å; W42-L49 HydrophobicContact CH2-CB 3.93Å; W42-L49 HydrophobicContact CH2-CD1 4.18Å; W42-L49 HydrophobicContact CH2-CG 4.48Å; W42-L49 HydrophobicContact CZ2-CB 4.41Å; W42-L49 HydrophobicContact CZ2-CD1 3.78Å; W42-L49 HydrophobicContact CZ3-CB 3.66Å; W42-L49 HydrophobicContact CZ3-CD1 4.4Å; L49-T52 WeakPolarHBondContact CD2-OG1 3.43Å
50	V	93.3	Very high	93.5	Very high	54 Å²	54	57.9 Å²	57.9	33%	0.327	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-52.3	-179.6	-167.4	0	0	0	0	109.5	W29 V41 N43 T48	W29-V50 HydrophobicContact CZ2-CG1 4.28Å; V41-V50 HydrophobicContact CG1-CB 4.3Å; V41-V50 HydrophobicContact CG1-CG2 4.48Å; V41-V50 WeakPolarHBondContact O-CA 3.38Å; V41-V50 WeakPolarHBondContact O-CB 3.35Å; V41-V50 PolarHBondContact O-N 3.46Å; N43-V50 HydrophobicContact CB-CG2 3.65Å; T48-V50 PolarHBondContact O-N 3.29Å
51	K	92.3	Very high	93.5	Very high	49 Å²	49	59.2 Å²	59.2	21%	0.213	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.8	-175.5	-58.7	-172.5	179.6	-169.1	0	111.1	C40 V41 Y86 N87 L89	C40-K51 CarbonylContact C-O 3.57Å; C40-K51 WeakPolarHBondContact CA-O 3.24Å; V41-K51 HydrophobicContact CB-CB 4.4Å; V41-K51 PolarHBondContact N-O 3.25Å; V41-K51 PolarHBondContact O-N 3.11Å; K51-Y86 WeakPolarHBondContact CD-O 3.38Å; K51-Y86 WeakPolarHBondContact CE-O 3.26Å; K51-Y86 PolarHBondContact NZ-O 2.89Å; K51-N87 PolarHBondContact NZ-O 3.11Å; K51-L89 HydrophobicContact CB-CD2 4.31Å; K51-L89 HydrophobicContact CD-CD1 4.01Å; K51-L89 HydrophobicContact CD-CD2 3.69Å; K51-L89 HydrophobicContact CD-CG 3.87Å; K51-L89 HydrophobicContact CG-CD1 4.49Å
52	T	94.1	Very high	93.5	Very high	67 Å²	67	59.2 Å²	59.2	41%	0.411	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.3	166	-63.2	0	0	0	0	108	V39 L49	V39-T52 WeakPolarHBondContact O-CA 3.43Å; L49-T52 WeakPolarHBondContact CD2-OG1 3.43Å
53	F	93.8	Very high	93.6	Very high	22 Å²	22	57.3 Å²	57.3	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.6	173.7	56.9	-84.7	0	0	0	110.5	V39 V55 F84 L89	V39-F53 HydrophobicContact CB-CE1 4.34Å; V39-F53 HydrophobicContact CB-CE2 4.05Å; V39-F53 HydrophobicContact CB-CZ 3.93Å; V39-F53 HydrophobicContact CG1-CE1 4.18Å; V39-F53 HydrophobicContact CG1-CE2 4.43Å; V39-F53 HydrophobicContact CG1-CZ 3.84Å; V39-F53 PolarHBondContact N-O 3.04Å; V39-F53 PolarHBondContact O-N 3.1Å; F53-V55 HydrophobicContact CD2-CG2 3.97Å; F53-V55 HydrophobicContact CE2-CG2 3.83Å; F53-F84 HydrophobicContact CD2-CD1 4.22Å; F53-F84 HydrophobicContact CD2-CD2 4.35Å; F53-F84 HydrophobicContact CD2-CE1 4.25Å; F53-F84 HydrophobicContact CD2-CE2 4.37Å; F53-F84 HydrophobicContact CD2-CG 4.26Å; F53-F84 HydrophobicContact CD2-CZ 4.31Å; F53-F84 HydrophobicContact CE2-CB 4.19Å; F53-F84 HydrophobicContact CE2-CD1 4.12Å; F53-F84 AromaticContact CE2-CD2 3.56Å; F53-F84 HydrophobicContact CE2-CD2 3.56Å; F53-F84 HydrophobicContact CE2-CE1 4.38Å; F53-F84 AromaticContact CE2-CE2 3.86Å; F53-F84 HydrophobicContact CE2-CE2 3.86Å; F53-F84 AromaticContact CE2-CG 3.69Å; F53-F84 HydrophobicContact CE2-CG 3.69Å; F53-F84 HydrophobicContact CE2-CZ 4.25Å; F53-F84 HydrophobicContact CZ-CB 4.31Å; F53-F84 HydrophobicContact CZ-CD2 4.31Å; F53-F84 HydrophobicContact CZ-CG 4.3Å; F53-L89 HydrophobicContact CD1-CD2 3.52Å; F53-L89 HydrophobicContact CE1-CD2 3.94Å; F53-L89 HydrophobicContact CG-CD2 4.18Å
54	E	93.6	Very high	93.7	Very high	157 Å²	157	58.4 Å²	58.4	73%	0.734	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	125.3	177.9	-69.6	177	177	0	0	109.4
55	V	93.4	Very high	93.9	Very high	13 Å²	13	58.6 Å²	58.6	8%	0.079	30%	0.304	C	S	.	.			trans	-94.1	-44.8	-177.4	179	0	0	0	0	110.5	G37 V39 F53 V60 T74 R82 F84	G37-V55 WeakPolarHBondContact O-CB 3.37Å; G37-V55 PolarHBondContact O-N 3.24Å; V39-V55 HydrophobicContact CB-CG2 4.19Å; V39-V55 HydrophobicContact CG2-CG2 3.6Å; F53-V55 HydrophobicContact CD2-CG2 3.97Å; F53-V55 HydrophobicContact CE2-CG2 3.83Å; V55-V60 HydrophobicContact CB-CG2 3.82Å; V55-V60 HydrophobicContact CG1-CG2 4.04Å; V55-V60 HydrophobicContact CG2-CG2 4.23Å; V55-T74 HydrophobicContact CG2-CG2 4.31Å; V55-R82 PolarHBondContact O-NE 2.87Å; V55-F84 HydrophobicContact CG1-CE2 4.08Å; V55-F84 HydrophobicContact CG1-CZ 4.33Å; V55-F84 HydrophobicContact CG2-CE2 3.99Å; V55-F84 HydrophobicContact CG2-CZ 4.28Å
56	C	93.4	Very high	94.3	Very high	20 Å²	20	52.5 Å²	52.5	14%	0.135	28%	0.276	C	S	.	.			trans	-164.1	175.8	179.2	51.9	0	0	0	0	110	G37 L58 A76	G37-C56 CarbonylContact C-O 3.55Å; G37-C56 VanDerWaalsContact CA-O 3.23Å; G37-C56 WeakPolarHBondContact CA-O 3.28Å; G37-C56 PolarHBondContact O-N 3.44Å; C56-L58 VanDerWaalsContact C-N 3.27Å; C56-L58 PolarHBondContact SG-O 2.74Å; C56-A76 WeakPolarHBondContact SG-CB 3.45Å
57	D	93.6	Very high	94.5	Very high	155 Å²	155	50 Å²	50	83%	0.829	26%	0.263	S	S	*	.	S	Bend	trans	-85.6	0.1	174.7	-56.9	-40.5	0	0	0	113.2
58	L	95.5	Very high	94.6	Very high	81 Å²	81	48.9 Å²	48.9	42%	0.424	25%	0.253	S	S	.	.	S	Bend	trans	-109.7	159.1	-179.7	-66.3	-172.8	0	0	0	111.5	G37 C56 V60 D77 D78	G37-L58 WeakPolarHBondContact CA-O 3.34Å; C56-L58 VanDerWaalsContact C-N 3.27Å; C56-L58 PolarHBondContact SG-O 2.74Å; L58-V60 PolarHBondContact O-N 2.78Å; L58-D77 HydrophobicContact CB-CB 4.18Å; L58-D77 HydrophobicContact CD1-CB 4.4Å; L58-D78 HydrophobicContact CD1-CB 3.95Å
59	P	96.4	Very high	94.5	Very high	13 Å²	13	49.9 Å²	49.9	8%	0.084	25%	0.251	C	S	.	.			trans	-55.2	130	-179.4	-26	32.9	0	0	0	114.1	Y35 A76 D77	Y35-P59 HydrophobicContact CD1-CG 4.29Å; Y35-P59 HydrophobicContact CD2-CB 3.56Å; Y35-P59 HydrophobicContact CD2-CG 3.58Å; Y35-P59 HydrophobicContact CE1-CG 4.09Å; Y35-P59 HydrophobicContact CE2-CB 3.72Å; Y35-P59 HydrophobicContact CE2-CG 3.32Å; Y35-P59 HydrophobicContact CG-CB 4.17Å; Y35-P59 HydrophobicContact CG-CG 4.05Å; Y35-P59 VanDerWaalsContact O-CA 3.25Å; Y35-P59 WeakPolarHBondContact O-CA 3.49Å; Y35-P59 WeakPolarHBondContact O-CB 3.31Å; Y35-P59 VanDerWaalsContact O-CG 3.32Å; Y35-P59 WeakPolarHBondContact O-CG 3.49Å; P59-A76 WeakPolarHBondContact O-CA 3.27Å; P59-A76 WeakPolarHBondContact O-CB 3.48Å; P59-D77 PolarHBondContact O-N 2.87Å
60	V	96.9	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	104.5	168.4	-177.3	0	0	0	0	108.4	S33 L34 V39 V55 L58 T74 A76	S33-V60 WeakPolarHBondContact CB-O 3.29Å; S33-V60 PolarHBondContact OG-O 2.74Å; L34-V60 PolarHBondContact O-N 3.46Å; V39-V60 HydrophobicContact CG2-CB 4.41Å; V39-V60 HydrophobicContact CG2-CG1 4.08Å; V39-V60 HydrophobicContact CG2-CG2 4.34Å; V55-V60 HydrophobicContact CB-CG2 3.82Å; V55-V60 HydrophobicContact CG1-CG2 4.04Å; V55-V60 HydrophobicContact CG2-CG2 4.23Å; L58-V60 PolarHBondContact O-N 2.78Å; V60-T74 HydrophobicContact CG1-CG2 4.49Å; V60-A76 HydrophobicContact CG2-CB 4.14Å
61	R	95.6	Very high	94.8	Very high	37 Å²	37	48.3 Å²	48.3	14%	0.14	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-32	-175.4	-66.9	-169.7	-176.1	-85	-14.2	113.8	S20 G75 D77 I102	S20-R61 VanDerWaalsContact CB-O 3.28Å; S20-R61 WeakPolarHBondContact CB-O 3.44Å; R61-G75 PolarHBondContact N-O 3.48Å; R61-G75 VanDerWaalsContact N-O 3.07Å; R61-D77 VanDerWaalsContact CD-OD1 3.23Å; R61-D77 WeakPolarHBondContact CD-OD1 3.49Å; R61-D77 WeakPolarHBondContact CG-OD1 3.41Å; R61-D77 IonicContact CZ-OD1 3.95Å; R61-D77 IonicContact CZ-OD2 3.48Å; R61-D77 IonicContact NE-OD1 3.54Å; R61-D77 PolarHBondContact NE-OD1 3.49Å; R61-D77 IonicContact NE-OD2 3.14Å; R61-D77 PolarHBondContact NE-OD2 2.77Å; R61-D77 IonicContact NH2-OD1 3.48Å; R61-D77 IonicContact NH2-OD2 2.89Å; R61-D77 PolarHBondContact NH2-OD2 3.46Å; R61-I102 WeakPolarHBondContact CB-O 3.47Å; R61-I102 WeakPolarHBondContact CD-O 3.41Å
62	A	96.1	Very high	95	Very high	5 Å²	5	46 Å²	46	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.6	-176.2	0	0	0	0	0	110.5	S20 T74 G75 I105	S20-A62 WeakPolarHBondContact OG-CA 3.34Å; A62-T74 CarbonylContact O-C 3.51Å; A62-T74 WeakPolarHBondContact O-CA 3.29Å; A62-G75 PolarHBondContact N-O 2.9Å; A62-G75 PolarHBondContact O-N 2.69Å; A62-I105 HydrophobicContact CB-CB 4.17Å; A62-I105 HydrophobicContact CB-CD1 4.04Å; A62-I105 HydrophobicContact CB-CG1 3.8Å
63	A	96.7	Very high	95.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.1	170.4	0	0	0	0	0	109.7	S20 L31 V73 T74	S20-A63 PolarHBondContact OG-N 2.95Å; L31-A63 HydrophobicContact CD2-CB 3.62Å; L31-A63 HydrophobicContact CG-CB 4.2Å; A63-V73 CarbonylContact C-O 3.53Å; A63-V73 VanDerWaalsContact CA-O 3.25Å; A63-V73 WeakPolarHBondContact CA-O 3.49Å; A63-T74 HydrophobicContact CB-CG2 4.14Å
64	K	96.8	Very high	95.3	Very high	49 Å²	49	41.8 Å²	41.8	21%	0.213	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.3	-179.4	-70.1	-60.5	177.8	-160.9	0	112.3	V21 D22 V72 V73 I105 V107	V21-K64 PolarHBondContact O-NZ 3.32Å; D22-K64 HydrophobicContact CB-CD 4.04Å; D22-K64 VanDerWaalsContact OD1-CD 3.3Å; D22-K64 WeakPolarHBondContact OD1-CD 3.31Å; D22-K64 IonicContact OD1-NZ 3.75Å; D22-K64 PolarHBondContact OD1-NZ 3.49Å; D22-K64 WeakPolarHBondContact OD2-CA 3.3Å; D22-K64 WeakPolarHBondContact OD2-CD 3.35Å; K64-V72 WeakPolarHBondContact O-CA 3.46Å; K64-V73 PolarHBondContact N-O 3.29Å; K64-V73 PolarHBondContact O-N 3.29Å; K64-I105 WeakPolarHBondContact CG-O 3.39Å; K64-V107 HydrophobicContact CB-CG2 3.93Å
65	F	96.4	Very high	95.5	Very high	14 Å²	14	34.3 Å²	34.3	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.9	170.3	-78.8	-64.8	0	0	0	111.3	D22 H24 W29 L31 V41 V72 Y86	D22-F65 HydrophobicContact CB-CD2 4.36Å; D22-F65 PolarHBondContact OD2-N 2.9Å; H24-F65 HydrophobicContact CB-CD2 3.93Å; H24-F65 HydrophobicContact CB-CE2 3.79Å; H24-F65 HydrophobicContact CB-CG 4.47Å; H24-F65 HydrophobicContact CB-CZ 4.26Å; H24-F65 AromaticContact CD2-CD1 3.78Å; H24-F65 AromaticContact CD2-CG 3.89Å; W29-F65 HydrophobicContact CB-CZ 4.43Å; L31-F65 HydrophobicContact CB-CD2 4.1Å; L31-F65 HydrophobicContact CB-CE2 3.5Å; L31-F65 HydrophobicContact CB-CZ 3.88Å; L31-F65 HydrophobicContact CD1-CZ 4.26Å; L31-F65 HydrophobicContact CD2-CD2 4.43Å; L31-F65 HydrophobicContact CD2-CE2 4.45Å; L31-F65 HydrophobicContact CG-CE2 4.45Å; V41-F65 HydrophobicContact CG1-CZ 4.3Å; F65-V72 HydrophobicContact CD1-CG2 3.57Å; F65-V72 HydrophobicContact CE1-CG2 3.52Å; F65-Y86 AromaticContact CD1-CD1 3.83Å; F65-Y86 HydrophobicContact CD1-CD1 3.83Å; F65-Y86 AromaticContact CD1-CE1 3.96Å; F65-Y86 HydrophobicContact CD1-CE1 3.96Å; F65-Y86 AromaticContact CE1-CD1 3.91Å; F65-Y86 HydrophobicContact CE1-CD1 3.91Å; F65-Y86 HydrophobicContact CE1-CE1 4.31Å; F65-Y86 HydrophobicContact CE1-CG 4.39Å
66	V	96.1	Very high	95.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	75.9	166	-173.1	0	0	0	0	106.9	R68 K69 N70 W71 V73 V107 W128	V66-R68 HydrophobicContact CG1-CG 3.63Å; V66-R68 PolarHBondContact O-N 3.37Å; V66-K69 HydrophobicContact CG1-CB 4.34Å; V66-K69 PolarHBondContact O-N 3.28Å; V66-N70 PolarHBondContact O-N 3.34Å; V66-N70 VanDerWaalsContact O-N 3.16Å; V66-W71 HydrophobicContact CB-CB 4.18Å; V66-W71 PolarHBondContact N-O 3.33Å; V66-W71 PolarHBondContact O-N 2.62Å; V66-W71 VanDerWaalsContact O-N 3.1Å; V66-V73 HydrophobicContact CG2-CG2 3.71Å; V66-V107 HydrophobicContact CG2-CG1 4.03Å; V66-V107 HydrophobicContact CG2-CG2 3.92Å; V66-W128 HydrophobicContact CG1-CH2 3.7Å; V66-W128 HydrophobicContact CG1-CZ2 4.23Å
67	A	92.3	Very high	95.7	Very high	29 Å²	29	33.2 Å²	33.2	24%	0.24	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-54.9	-37.3	-174.5	0	0	0	0	0	112.7	P25 K69 N70	P25-A67 HydrophobicContact CG-CB 3.5Å; A67-K69 PolarHBondContact O-N 3.37Å; A67-N70 PolarHBondContact O-N 3.34Å; A67-N70 PolarHBondContact O-OD1 3.46Å
68	R	93	Very high	95.7	Very high	100 Å²	100	27.6 Å²	27.6	38%	0.377	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-57.2	-20.1	177.3	59.9	175.1	171.3	-168.3	-3.1	115.7	V66 H108 T110 Q111 W128	V66-R68 HydrophobicContact CG1-CG 3.63Å; V66-R68 PolarHBondContact O-N 3.37Å; R68-H108 PolarHBondContact NH2-O 3.06Å; R68-T110 VanDerWaalsContact NH1-C 3.29Å; R68-T110 PolarHBondContact NH1-O 3.04Å; R68-Q111 PolarHBondContact NH1-O 3.01Å; R68-Q111 VanDerWaalsContact NH1-O 3.16Å; R68-Q111 PolarHBondContact NH2-O 3.38Å; R68-W128 VanDerWaalsContact NE-CH2 3.3Å
69	K	92.6	Very high	95.7	Very high	96 Å²	96	26.6 Å²	26.6	42%	0.417	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-122.2	4.6	178.2	-69.6	-70.3	-173.5	174.7	0	112.4	V66 A67 W71	V66-K69 HydrophobicContact CG1-CB 4.34Å; V66-K69 PolarHBondContact O-N 3.28Å; A67-K69 PolarHBondContact O-N 3.37Å; K69-W71 VanDerWaalsContact C-N 3.31Å; K69-W71 HydrophobicContact CB-CD2 3.49Å; K69-W71 VanDerWaalsContact CB-CD2 3.49Å; K69-W71 HydrophobicContact CB-CE3 3.7Å; K69-W71 HydrophobicContact CB-CG 3.92Å; K69-W71 HydrophobicContact CB-CH2 4.23Å; K69-W71 HydrophobicContact CB-CZ2 4.03Å; K69-W71 HydrophobicContact CB-CZ3 4.07Å; K69-W71 HydrophobicContact CD-CH2 4.3Å; K69-W71 HydrophobicContact CD-CZ2 4.35Å; K69-W71 HydrophobicContact CG-CD2 4.35Å; K69-W71 HydrophobicContact CG-CE3 4.13Å; K69-W71 HydrophobicContact CG-CH2 4.12Å; K69-W71 HydrophobicContact CG-CZ2 4.32Å; K69-W71 HydrophobicContact CG-CZ3 4.02Å; K69-W71 PolarHBondContact O-N 2.92Å; K69-W71 PolarHBondContact O-NE1 3.22Å
70	N	95.1	Very high	95.6	Very high	67 Å²	67	28.4 Å²	28.4	36%	0.358	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.6	-170.4	-54.5	-33.6	0	0	0	114.3	V66 A67 N85 Y86 N87	V66-N70 PolarHBondContact O-N 3.34Å; V66-N70 VanDerWaalsContact O-N 3.16Å; A67-N70 PolarHBondContact O-N 3.34Å; A67-N70 PolarHBondContact O-OD1 3.46Å; N70-N85 WeakPolarHBondContact O-CA 3.43Å; N70-N85 PolarHBondContact O-OD1 3.45Å; N70-Y86 WeakPolarHBondContact CA-OH 3.37Å; N70-Y86 HydrophobicContact CB-CE1 4.09Å; N70-Y86 HydrophobicContact CB-CE2 3.9Å; N70-Y86 VanDerWaalsContact O-CD1 3.26Å; N70-Y86 WeakPolarHBondContact O-CD1 3.17Å; N70-Y86 PolarHBondContact O-N 3.41Å; N70-Y86 PolarHBondContact OD1-OH 3.48Å; N70-N87 PolarHBondContact ND2-ND2 3.5Å
71	W	96.3	Very high	95.6	Very high	36 Å²	36	28.4 Å²	28.4	14%	0.136	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	157.1	-177.6	-59.1	-21.8	0	0	0	114.2	V66 K69 V83 F84 V92 W128 W132	V66-W71 HydrophobicContact CB-CB 4.18Å; V66-W71 PolarHBondContact N-O 3.33Å; V66-W71 PolarHBondContact O-N 2.62Å; V66-W71 VanDerWaalsContact O-N 3.1Å; K69-W71 VanDerWaalsContact C-N 3.31Å; K69-W71 HydrophobicContact CB-CD2 3.49Å; K69-W71 VanDerWaalsContact CB-CD2 3.49Å; K69-W71 HydrophobicContact CB-CE3 3.7Å; K69-W71 HydrophobicContact CB-CG 3.92Å; K69-W71 HydrophobicContact CB-CH2 4.23Å; K69-W71 HydrophobicContact CB-CZ2 4.03Å; K69-W71 HydrophobicContact CB-CZ3 4.07Å; K69-W71 HydrophobicContact CD-CH2 4.3Å; K69-W71 HydrophobicContact CD-CZ2 4.35Å; K69-W71 HydrophobicContact CG-CD2 4.35Å; K69-W71 HydrophobicContact CG-CE3 4.13Å; K69-W71 HydrophobicContact CG-CH2 4.12Å; K69-W71 HydrophobicContact CG-CZ2 4.32Å; K69-W71 HydrophobicContact CG-CZ3 4.02Å; K69-W71 PolarHBondContact O-N 2.92Å; K69-W71 PolarHBondContact O-NE1 3.22Å; W71-V83 HydrophobicContact CB-CG1 3.81Å; W71-V83 HydrophobicContact CD2-CG1 3.73Å; W71-V83 HydrophobicContact CE3-CG1 3.81Å; W71-V83 HydrophobicContact CG-CG1 3.76Å; W71-F84 CarbonylContact C-O 3.55Å; W71-F84 WeakPolarHBondContact CA-O 3.49Å; W71-V92 HydrophobicContact CZ2-CG1 4.11Å; W71-W128 HydrophobicContact CZ3-CG 4.28Å; W71-W132 HydrophobicContact CE3-CZ2 4.45Å; W71-W132 HydrophobicContact CZ3-CZ2 4.02Å
72	V	97.1	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.9	159.2	173.5	0	0	0	0	107.8	L31 K64 F65 T74 V83 F84 Y86	L31-V72 HydrophobicContact CD1-CG1 4.08Å; L31-V72 HydrophobicContact CD1-CG2 4.12Å; L31-V72 HydrophobicContact CD2-CG1 3.7Å; L31-V72 HydrophobicContact CD2-CG2 4.3Å; K64-V72 WeakPolarHBondContact O-CA 3.46Å; F65-V72 HydrophobicContact CD1-CG2 3.57Å; F65-V72 HydrophobicContact CE1-CG2 3.52Å; V72-T74 HydrophobicContact CG1-CG2 3.82Å; V72-V83 WeakPolarHBondContact O-CA 3.14Å; V72-F84 PolarHBondContact N-O 3.08Å; V72-F84 PolarHBondContact O-N 3.26Å; V72-Y86 HydrophobicContact CG2-CD1 4.09Å
73	V	97.3	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.3	173.9	-175.3	0	0	0	0	108.2	A63 K64 V66 I81 R82 V83 I105 I114 W132	A63-V73 CarbonylContact C-O 3.53Å; A63-V73 VanDerWaalsContact CA-O 3.25Å; A63-V73 WeakPolarHBondContact CA-O 3.49Å; K64-V73 PolarHBondContact N-O 3.29Å; K64-V73 PolarHBondContact O-N 3.29Å; V66-V73 HydrophobicContact CG2-CG2 3.71Å; V73-I81 HydrophobicContact CG1-CG2 3.63Å; V73-R82 WeakPolarHBondContact CA-O 3.38Å; V73-V83 HydrophobicContact CG1-CG2 4.39Å; V73-V83 HydrophobicContact CG2-CG1 4.28Å; V73-V83 HydrophobicContact CG2-CG2 4.25Å; V73-I105 HydrophobicContact CG1-CD1 4.14Å; V73-I105 HydrophobicContact CG1-CG2 4.39Å; V73-I114 HydrophobicContact CG1-CD1 4.2Å; V73-I114 HydrophobicContact CG2-CD1 3.88Å; V73-W132 HydrophobicContact CG2-CH2 4.48Å
74	T	97.3	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139	-177.4	63.3	0	0	0	0	110.8	V39 V55 V60 A62 A63 V72 I81 R82 F84	V39-T74 HydrophobicContact CG2-CG2 4.04Å; V55-T74 HydrophobicContact CG2-CG2 4.31Å; V60-T74 HydrophobicContact CG1-CG2 4.49Å; A62-T74 CarbonylContact O-C 3.51Å; A62-T74 WeakPolarHBondContact O-CA 3.29Å; A63-T74 HydrophobicContact CB-CG2 4.14Å; V72-T74 HydrophobicContact CG1-CG2 3.82Å; T74-I81 WeakPolarHBondContact O-CA 3.45Å; T74-R82 PolarHBondContact N-O 3.47Å; T74-R82 PolarHBondContact O-N 3.3Å; T74-R82 PolarHBondContact OG1-O 2.98Å; T74-F84 HydrophobicContact CG2-CD2 4.39Å; T74-F84 HydrophobicContact CG2-CE2 4.46Å
75	G	96.8	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130	171.5	0	0	0	0	0	110.3	R61 A62 I105	R61-G75 PolarHBondContact N-O 3.48Å; R61-G75 VanDerWaalsContact N-O 3.07Å; A62-G75 PolarHBondContact N-O 2.9Å; A62-G75 PolarHBondContact O-N 2.69Å; G75-I105 VanDerWaalsContact N-CD1 3.34Å
76	A	95.8	Very high	95.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	174.1	-174.6	0	0	0	0	0	112.4	C56 P59 V60 D78 M79 Q80	C56-A76 WeakPolarHBondContact SG-CB 3.45Å; P59-A76 WeakPolarHBondContact O-CA 3.27Å; P59-A76 WeakPolarHBondContact O-CB 3.48Å; V60-A76 HydrophobicContact CG2-CB 4.14Å; A76-D78 WeakPolarHBondContact CB-OD1 3.08Å; A76-D78 PolarHBondContact O-N 3.49Å; A76-M79 PolarHBondContact O-N 2.79Å; A76-Q80 PolarHBondContact N-O 2.81Å
77	D	95.4	Very high	95.3	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.048	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.1	178.9	-75.2	2	0	0	0	113.2	L58 P59 R61 M79 Y101	L58-D77 HydrophobicContact CB-CB 4.18Å; L58-D77 HydrophobicContact CD1-CB 4.4Å; P59-D77 PolarHBondContact O-N 2.87Å; R61-D77 VanDerWaalsContact CD-OD1 3.23Å; R61-D77 WeakPolarHBondContact CD-OD1 3.49Å; R61-D77 WeakPolarHBondContact CG-OD1 3.41Å; R61-D77 IonicContact CZ-OD1 3.95Å; R61-D77 IonicContact CZ-OD2 3.48Å; R61-D77 IonicContact NE-OD1 3.54Å; R61-D77 PolarHBondContact NE-OD1 3.49Å; R61-D77 IonicContact NE-OD2 3.14Å; R61-D77 PolarHBondContact NE-OD2 2.77Å; R61-D77 IonicContact NH2-OD1 3.48Å; R61-D77 IonicContact NH2-OD2 2.89Å; R61-D77 PolarHBondContact NH2-OD2 3.46Å; D77-M79 PolarHBondContact O-N 3.34Å; D77-Y101 HydrophobicContact CB-CD1 3.63Å; D77-Y101 HydrophobicContact CB-CE1 3.84Å; D77-Y101 HydrophobicContact CB-CG 4.19Å; D77-Y101 WeakPolarHBondContact O-CD1 3.49Å; D77-Y101 WeakPolarHBondContact O-CE1 3.39Å
78	D	94.5	Very high	95.2	Very high	38 Å²	38	33 Å²	33	20%	0.203	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	11.9	170.5	72.6	-10.8	0	0	0	113.6	L58 A76 Q80 R82	L58-D78 HydrophobicContact CD1-CB 3.95Å; A76-D78 WeakPolarHBondContact CB-OD1 3.08Å; A76-D78 PolarHBondContact O-N 3.49Å; D78-Q80 PolarHBondContact O-N 3.49Å; D78-Q80 VanDerWaalsContact O-N 3.12Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.38Å; D78-Q80 PolarHBondContact OD1-N 3.35Å; D78-R82 VanDerWaalsContact CG-NH1 3.34Å; D78-R82 IonicContact OD1-NH1 3.41Å; D78-R82 PolarHBondContact OD1-NH1 2.98Å; D78-R82 VanDerWaalsContact OD1-NH1 3.13Å; D78-R82 IonicContact OD2-CZ 3.32Å; D78-R82 IonicContact OD2-NH1 2.68Å; D78-R82 PolarHBondContact OD2-NH1 3.33Å; D78-R82 IonicContact OD2-NH2 3.45Å; D78-R82 PolarHBondContact OD2-NH2 3.18Å
79	M	94.5	Very high	95	Very high	59 Å²	59	31.3 Å²	31.3	29%	0.291	16%	0.157	S	C	.	.	S	Bend	trans	68.8	6.2	175.1	-42.4	164.6	-176	0	0	114.3	A76 D77 E96 A97 H98 S99	A76-M79 PolarHBondContact O-N 2.79Å; D77-M79 PolarHBondContact O-N 3.34Å; M79-E96 HydrophobicContact CB-CG 4.48Å; M79-A97 PolarHBondContact O-N 3.43Å; M79-H98 WeakPolarHBondContact CB-O 3.38Å; M79-S99 WeakPolarHBondContact CE-O 3.31Å; M79-S99 VanDerWaalsContact SD-O 3.41Å
80	Q	95.9	Very high	95	Very high	51 Å²	51	33 Å²	33	24%	0.238	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.4	-177.6	-65.3	-174.4	0.1	0	0	112.6	A76 D78 F95	A76-Q80 PolarHBondContact N-O 2.81Å; D78-Q80 PolarHBondContact O-N 3.49Å; D78-Q80 VanDerWaalsContact O-N 3.12Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.38Å; D78-Q80 PolarHBondContact OD1-N 3.35Å; Q80-F95 WeakPolarHBondContact CA-O 3.16Å
81	I	96.8	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.1	164.4	-63.1	171.7	0	0	0	107.9	V73 T74 M94 F95 A97 I102 T116	V73-I81 HydrophobicContact CG1-CG2 3.63Å; T74-I81 WeakPolarHBondContact O-CA 3.45Å; I81-M94 WeakPolarHBondContact O-CA 3.45Å; I81-F95 HydrophobicContact CB-CE1 3.99Å; I81-F95 HydrophobicContact CB-CE2 4.27Å; I81-F95 HydrophobicContact CB-CZ 3.83Å; I81-F95 HydrophobicContact CD1-CE2 3.92Å; I81-F95 HydrophobicContact CD1-CZ 3.73Å; I81-F95 HydrophobicContact CG1-CZ 4.34Å; I81-F95 HydrophobicContact CG2-CE1 4.05Å; I81-F95 HydrophobicContact CG2-CZ 4.08Å; I81-F95 PolarHBondContact N-O 3.06Å; I81-F95 PolarHBondContact O-N 3.22Å; I81-F95 VanDerWaalsContact O-N 3.13Å; I81-A97 HydrophobicContact CB-CB 4.46Å; I81-A97 HydrophobicContact CD1-CB 3.31Å; I81-A97 HydrophobicContact CG1-CB 3.58Å; I81-I102 HydrophobicContact CG1-CD1 3.78Å; I81-T116 HydrophobicContact CD1-CG2 3.28Å; I81-T116 HydrophobicContact CG1-CG2 4.29Å
82	R	96.8	Very high	94.8	Very high	19 Å²	19	37.6 Å²	37.6	7%	0.072	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.4	173.1	-65.6	164.9	177.6	77.1	2	110	V55 V73 T74 D78 F84 H93 M94	V55-R82 PolarHBondContact O-NE 2.87Å; V73-R82 WeakPolarHBondContact CA-O 3.38Å; T74-R82 PolarHBondContact N-O 3.47Å; T74-R82 PolarHBondContact O-N 3.3Å; T74-R82 PolarHBondContact OG1-O 2.98Å; D78-R82 VanDerWaalsContact CG-NH1 3.34Å; D78-R82 IonicContact OD1-NH1 3.41Å; D78-R82 PolarHBondContact OD1-NH1 2.98Å; D78-R82 VanDerWaalsContact OD1-NH1 3.13Å; D78-R82 IonicContact OD2-CZ 3.32Å; D78-R82 IonicContact OD2-NH1 2.68Å; D78-R82 PolarHBondContact OD2-NH1 3.33Å; D78-R82 IonicContact OD2-NH2 3.45Å; D78-R82 PolarHBondContact OD2-NH2 3.18Å; R82-F84 HydrophobicContact CB-CD2 4.31Å; R82-F84 HydrophobicContact CB-CE2 3.54Å; R82-F84 HydrophobicContact CB-CZ 4.04Å; R82-H93 WeakPolarHBondContact CA-O 3.34Å; R82-M94 HydrophobicContact CG-CB 4.35Å; R82-M94 HydrophobicContact CG-CE 3.84Å; R82-M94 HydrophobicContact CG-CG 4.27Å
83	V	96.9	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.4	-179.1	-172.7	0	0	0	0	107.9	W71 V72 V73 R91 V92 H93 W132	W71-V83 HydrophobicContact CB-CG1 3.81Å; W71-V83 HydrophobicContact CD2-CG1 3.73Å; W71-V83 HydrophobicContact CE3-CG1 3.81Å; W71-V83 HydrophobicContact CG-CG1 3.76Å; V72-V83 WeakPolarHBondContact O-CA 3.14Å; V73-V83 HydrophobicContact CG1-CG2 4.39Å; V73-V83 HydrophobicContact CG2-CG1 4.28Å; V73-V83 HydrophobicContact CG2-CG2 4.25Å; V83-R91 CarbonylContact O-C 3.31Å; V83-R91 WeakPolarHBondContact O-CA 3.5Å; V83-V92 HydrophobicContact CB-CB 4.44Å; V83-V92 HydrophobicContact CG1-CB 4.34Å; V83-V92 PolarHBondContact O-N 2.94Å; V83-H93 HydrophobicContact CB-CB 4.31Å; V83-H93 HydrophobicContact CG2-CB 4.24Å; V83-H93 PolarHBondContact N-O 3.24Å; V83-H93 PolarHBondContact O-N 3.21Å; V83-W132 HydrophobicContact CB-CZ2 4.41Å; V83-W132 HydrophobicContact CG1-CZ2 4.34Å; V83-W132 HydrophobicContact CG2-CH2 3.37Å; V83-W132 HydrophobicContact CG2-CZ2 3.54Å; V83-W132 HydrophobicContact CG2-CZ3 4.09Å
84	F	96	Very high	94.5	Very high	16 Å²	16	44.8 Å²	44.8	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.9	-179.9	-62.9	-89.4	0	0	0	109.4	F53 V55 W71 V72 T74 R82 Y86 E90 R91	F53-F84 HydrophobicContact CD2-CD1 4.22Å; F53-F84 HydrophobicContact CD2-CD2 4.35Å; F53-F84 HydrophobicContact CD2-CE1 4.25Å; F53-F84 HydrophobicContact CD2-CE2 4.37Å; F53-F84 HydrophobicContact CD2-CG 4.26Å; F53-F84 HydrophobicContact CD2-CZ 4.31Å; F53-F84 HydrophobicContact CE2-CB 4.19Å; F53-F84 HydrophobicContact CE2-CD1 4.12Å; F53-F84 AromaticContact CE2-CD2 3.56Å; F53-F84 HydrophobicContact CE2-CD2 3.56Å; F53-F84 HydrophobicContact CE2-CE1 4.38Å; F53-F84 AromaticContact CE2-CE2 3.86Å; F53-F84 HydrophobicContact CE2-CE2 3.86Å; F53-F84 AromaticContact CE2-CG 3.69Å; F53-F84 HydrophobicContact CE2-CG 3.69Å; F53-F84 HydrophobicContact CE2-CZ 4.25Å; F53-F84 HydrophobicContact CZ-CB 4.31Å; F53-F84 HydrophobicContact CZ-CD2 4.31Å; F53-F84 HydrophobicContact CZ-CG 4.3Å; V55-F84 HydrophobicContact CG1-CE2 4.08Å; V55-F84 HydrophobicContact CG1-CZ 4.33Å; V55-F84 HydrophobicContact CG2-CE2 3.99Å; V55-F84 HydrophobicContact CG2-CZ 4.28Å; W71-F84 CarbonylContact C-O 3.55Å; W71-F84 WeakPolarHBondContact CA-O 3.49Å; V72-F84 PolarHBondContact N-O 3.08Å; V72-F84 PolarHBondContact O-N 3.26Å; T74-F84 HydrophobicContact CG2-CD2 4.39Å; T74-F84 HydrophobicContact CG2-CE2 4.46Å; R82-F84 HydrophobicContact CB-CD2 4.31Å; R82-F84 HydrophobicContact CB-CE2 3.54Å; R82-F84 HydrophobicContact CB-CZ 4.04Å; F84-Y86 PolarHBondContact O-N 3.16Å; F84-E90 WeakPolarHBondContact CA-O 3.47Å; F84-R91 HydrophobicContact CD1-CB 4Å; F84-R91 HydrophobicContact CD1-CG 4.39Å; F84-R91 HydrophobicContact CE1-CB 3.84Å; F84-R91 HydrophobicContact CE1-CG 4.06Å; F84-R91 HydrophobicContact CZ-CG 4.42Å
85	N	95.2	Very high	94.4	Very high	35 Å²	35	46.6 Å²	46.6	19%	0.187	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.7	165.4	-177	-37.6	0	0	0	108	N70 N87 T88 L89 E90 V92	N70-N85 WeakPolarHBondContact O-CA 3.43Å; N70-N85 PolarHBondContact O-OD1 3.45Å; N85-N87 PolarHBondContact O-N 2.89Å; N85-N87 WeakPolarHBondContact OD1-CB 3.49Å; N85-N87 PolarHBondContact OD1-N 2.96Å; N85-T88 WeakPolarHBondContact CB-OG1 3.42Å; N85-T88 PolarHBondContact O-N 3.46Å; N85-T88 PolarHBondContact OD1-N 3.45Å; N85-L89 WeakPolarHBondContact O-CA 3.5Å; N85-L89 PolarHBondContact O-N 2.96Å; N85-E90 PolarHBondContact N-O 3.39Å; N85-V92 HydrophobicContact CB-CG2 4.03Å
86	Y	93.1	Very high	94.3	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.039	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.1	-175.6	57.9	-114.7	0	0	0	113.3	H24 W29 K51 F65 N70 V72 F84	H24-Y86 AromaticContact NE2-CZ 3.6Å; H24-Y86 PolarHBondContact NE2-OH 3.17Å; H24-Y86 VanDerWaalsContact NE2-OH 3.07Å; W29-Y86 HydrophobicContact CH2-CD2 4.43Å; W29-Y86 AromaticContact CZ3-CD2 3.66Å; W29-Y86 HydrophobicContact CZ3-CD2 3.66Å; W29-Y86 AromaticContact CZ3-CE2 3.82Å; W29-Y86 HydrophobicContact CZ3-CE2 3.82Å; W29-Y86 HydrophobicContact CZ3-CG 4.45Å; K51-Y86 WeakPolarHBondContact CD-O 3.38Å; K51-Y86 WeakPolarHBondContact CE-O 3.26Å; K51-Y86 PolarHBondContact NZ-O 2.89Å; F65-Y86 AromaticContact CD1-CD1 3.83Å; F65-Y86 HydrophobicContact CD1-CD1 3.83Å; F65-Y86 AromaticContact CD1-CE1 3.96Å; F65-Y86 HydrophobicContact CD1-CE1 3.96Å; F65-Y86 AromaticContact CE1-CD1 3.91Å; F65-Y86 HydrophobicContact CE1-CD1 3.91Å; F65-Y86 HydrophobicContact CE1-CE1 4.31Å; F65-Y86 HydrophobicContact CE1-CG 4.39Å; N70-Y86 WeakPolarHBondContact CA-OH 3.37Å; N70-Y86 HydrophobicContact CB-CE1 4.09Å; N70-Y86 HydrophobicContact CB-CE2 3.9Å; N70-Y86 VanDerWaalsContact O-CD1 3.26Å; N70-Y86 WeakPolarHBondContact O-CD1 3.17Å; N70-Y86 PolarHBondContact O-N 3.41Å; N70-Y86 PolarHBondContact OD1-OH 3.48Å; V72-Y86 HydrophobicContact CG2-CD1 4.09Å; F84-Y86 PolarHBondContact O-N 3.16Å
87	N	92.2	Very high	94.3	Very high	79 Å²	79	52.9 Å²	52.9	42%	0.422	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-45.5	174.7	-68.5	-26.6	0	0	0	111.4	K51 N70 N85	K51-N87 PolarHBondContact NZ-O 3.11Å; N70-N87 PolarHBondContact ND2-ND2 3.5Å; N85-N87 PolarHBondContact O-N 2.89Å; N85-N87 WeakPolarHBondContact OD1-CB 3.49Å; N85-N87 PolarHBondContact OD1-N 2.96Å
88	T	90.9	Very high	94.3	Very high	76 Å²	76	52.6 Å²	52.6	47%	0.466	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-15.8	-177.6	62.5	0	0	0	0	114.2	N85 E90	N85-T88 WeakPolarHBondContact CB-OG1 3.42Å; N85-T88 PolarHBondContact O-N 3.46Å; N85-T88 PolarHBondContact OD1-N 3.45Å; T88-E90 PolarHBondContact O-N 3.2Å; T88-E90 WeakPolarHBondContact OG1-CB 3.48Å; T88-E90 PolarHBondContact OG1-N 2.99Å
89	L	88.8	Confident	94.3	Very high	65 Å²	65	54.7 Å²	54.7	34%	0.34	27%	0.273	S	S	.	.			trans	62.2	10.2	-168.2	-63.5	175.8	0	0	0	114.8	K51 F53 N85	K51-L89 HydrophobicContact CB-CD2 4.31Å; K51-L89 HydrophobicContact CD-CD1 4.01Å; K51-L89 HydrophobicContact CD-CD2 3.69Å; K51-L89 HydrophobicContact CD-CG 3.87Å; K51-L89 HydrophobicContact CG-CD1 4.49Å; F53-L89 HydrophobicContact CD1-CD2 3.52Å; F53-L89 HydrophobicContact CE1-CD2 3.94Å; F53-L89 HydrophobicContact CG-CD2 4.18Å; N85-L89 WeakPolarHBondContact O-CA 3.5Å; N85-L89 PolarHBondContact O-N 2.96Å
90	E	92.1	Very high	94.3	Very high	133 Å²	133	54.2 Å²	54.2	62%	0.621	27%	0.271	S	S	*	.			trans	-74.6	139.2	177	-66.7	176.4	158.3	0	0	111.1	F84 N85 T88 V92	F84-E90 WeakPolarHBondContact CA-O 3.47Å; N85-E90 PolarHBondContact N-O 3.39Å; T88-E90 PolarHBondContact O-N 3.2Å; T88-E90 WeakPolarHBondContact OG1-CB 3.48Å; T88-E90 PolarHBondContact OG1-N 2.99Å; E90-V92 PolarHBondContact O-N 3.44Å
91	R	93.9	Very high	94.4	Very high	144 Å²	144	56.3 Å²	56.3	54%	0.543	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.2	173.6	-172.5	-177.4	69.9	-167.7	3.3	109.3	V83 F84 M94	V83-R91 CarbonylContact O-C 3.31Å; V83-R91 WeakPolarHBondContact O-CA 3.5Å; F84-R91 HydrophobicContact CD1-CB 4Å; F84-R91 HydrophobicContact CD1-CG 4.39Å; F84-R91 HydrophobicContact CE1-CB 3.84Å; F84-R91 HydrophobicContact CE1-CG 4.06Å; F84-R91 HydrophobicContact CZ-CG 4.42Å; R91-M94 PolarHBondContact NH1-SD 2.95Å
92	V	92.8	Very high	94.4	Very high	54 Å²	54	56.3 Å²	56.3	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-47.9	-179.6	-170.9	0	0	0	0	110.6	W71 V83 N85 E90	W71-V92 HydrophobicContact CZ2-CG1 4.11Å; V83-V92 HydrophobicContact CB-CB 4.44Å; V83-V92 HydrophobicContact CG1-CB 4.34Å; V83-V92 PolarHBondContact O-N 2.94Å; N85-V92 HydrophobicContact CB-CG2 4.03Å; E90-V92 PolarHBondContact O-N 3.44Å
93	H	93.4	Very high	94.3	Very high	84 Å²	84	57.9 Å²	57.9	39%	0.389	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.4	-177.7	-77.1	-68.2	0	0	0	112.4	R82 V83 W132	R82-H93 WeakPolarHBondContact CA-O 3.34Å; V83-H93 HydrophobicContact CB-CB 4.31Å; V83-H93 HydrophobicContact CG2-CB 4.24Å; V83-H93 PolarHBondContact N-O 3.24Å; V83-H93 PolarHBondContact O-N 3.21Å; H93-W132 AromaticContact CD2-CD1 3.58Å; H93-W132 AromaticContact CD2-CE2 3.97Å; H93-W132 AromaticContact CD2-NE1 3.02Å; H93-W132 PolarHBondContact CD2-NE1 3.33Å; H93-W132 AromaticContact CG-CD1 3.7Å; H93-W132 AromaticContact CG-NE1 3.46Å; H93-W132 AromaticContact ND1-CD1 3.97Å; H93-W132 AromaticContact NE2-CD1 3.78Å; H93-W132 AromaticContact NE2-NE1 3.53Å
94	M	94.7	Very high	94.3	Very high	67 Å²	67	58.8 Å²	58.8	33%	0.33	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	130.6	176.5	168.4	-174	-94.4	0	0	108.5	I81 R82 R91	I81-M94 WeakPolarHBondContact O-CA 3.45Å; R82-M94 HydrophobicContact CG-CB 4.35Å; R82-M94 HydrophobicContact CG-CE 3.84Å; R82-M94 HydrophobicContact CG-CG 4.27Å; R91-M94 PolarHBondContact NH1-SD 2.95Å
95	F	95.6	Very high	94.4	Very high	39 Å²	39	58.1 Å²	58.1	17%	0.171	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.7	173.2	62	-82.1	0	0	0	110.9	Q80 I81 A97 W126 W132	Q80-F95 WeakPolarHBondContact CA-O 3.16Å; I81-F95 HydrophobicContact CB-CE1 3.99Å; I81-F95 HydrophobicContact CB-CE2 4.27Å; I81-F95 HydrophobicContact CB-CZ 3.83Å; I81-F95 HydrophobicContact CD1-CE2 3.92Å; I81-F95 HydrophobicContact CD1-CZ 3.73Å; I81-F95 HydrophobicContact CG1-CZ 4.34Å; I81-F95 HydrophobicContact CG2-CE1 4.05Å; I81-F95 HydrophobicContact CG2-CZ 4.08Å; I81-F95 PolarHBondContact N-O 3.06Å; I81-F95 PolarHBondContact O-N 3.22Å; I81-F95 VanDerWaalsContact O-N 3.13Å; F95-A97 HydrophobicContact CD2-CB 4.23Å; F95-A97 HydrophobicContact CE2-CB 3.83Å; F95-W126 HydrophobicContact CD2-CE3 4.34Å; F95-W126 HydrophobicContact CD2-CH2 4.1Å; F95-W126 AromaticContact CD2-CZ3 3.95Å; F95-W126 HydrophobicContact CD2-CZ3 3.95Å; F95-W126 AromaticContact CE2-CD2 3.67Å; F95-W126 HydrophobicContact CE2-CD2 3.67Å; F95-W126 AromaticContact CE2-CE2 3.83Å; F95-W126 AromaticContact CE2-CE3 3.52Å; F95-W126 HydrophobicContact CE2-CE3 3.52Å; F95-W126 HydrophobicContact CE2-CG 4.43Å; F95-W126 AromaticContact CE2-CH2 3.72Å; F95-W126 HydrophobicContact CE2-CH2 3.72Å; F95-W126 AromaticContact CE2-CZ2 3.89Å; F95-W126 HydrophobicContact CE2-CZ2 3.89Å; F95-W126 AromaticContact CE2-CZ3 3.53Å; F95-W126 HydrophobicContact CE2-CZ3 3.53Å; F95-W126 AromaticContact CZ-CD2 4Å; F95-W126 HydrophobicContact CZ-CD2 4Å; F95-W126 HydrophobicContact CZ-CE3 4.02Å; F95-W126 HydrophobicContact CZ-CG 4.32Å; F95-W126 HydrophobicContact CZ-CZ3 4.44Å; F95-W132 HydrophobicContact CD1-CB 4.33Å; F95-W132 HydrophobicContact CD1-CE3 4.47Å; F95-W132 HydrophobicContact CE1-CB 4.04Å; F95-W132 AromaticContact CE1-CD2 3.78Å; F95-W132 HydrophobicContact CE1-CD2 3.78Å; F95-W132 AromaticContact CE1-CE3 3.32Å; F95-W132 HydrophobicContact CE1-CE3 3.32Å; F95-W132 HydrophobicContact CE1-CG 4.09Å; F95-W132 AromaticContact CE1-CZ3 3.97Å; F95-W132 HydrophobicContact CE1-CZ3 3.97Å; F95-W132 HydrophobicContact CZ-CB 4.45Å; F95-W132 HydrophobicContact CZ-CD2 4.39Å; F95-W132 AromaticContact CZ-CE3 3.58Å; F95-W132 HydrophobicContact CZ-CE3 3.58Å; F95-W132 HydrophobicContact CZ-CZ3 4.19Å
96	E	95.8	Very high	94.4	Very high	129 Å²	129	57 Å²	57	60%	0.603	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.4	171.5	-172.3	178.9	161	0	0	109.1	M79	M79-E96 HydrophobicContact CB-CG 4.48Å
97	A	94.1	Very high	94.5	Very high	3 Å²	3	58.3 Å²	58.3	3%	0.025	29%	0.291	C	S	.	.			trans	-98.9	-38.1	-173.1	0	0	0	0	0	112.3	M79 I81 F95 I102 K124 W126	M79-A97 PolarHBondContact O-N 3.43Å; I81-A97 HydrophobicContact CB-CB 4.46Å; I81-A97 HydrophobicContact CD1-CB 3.31Å; I81-A97 HydrophobicContact CG1-CB 3.58Å; F95-A97 HydrophobicContact CD2-CB 4.23Å; F95-A97 HydrophobicContact CE2-CB 3.83Å; A97-I102 HydrophobicContact CB-CD1 4.24Å; A97-K124 VanDerWaalsContact O-CD 3.26Å; A97-K124 WeakPolarHBondContact O-CD 3.25Å; A97-K124 PolarHBondContact O-NZ 2.84Å; A97-W126 HydrophobicContact CB-CH2 4.31Å; A97-W126 HydrophobicContact CB-CZ2 3.63Å; A97-W126 WeakPolarHBondContact O-CZ2 3.29Å
98	H	95.8	Very high	94.6	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.019	27%	0.272	C	S	.	.			trans	-132.6	171.4	-174.7	-73.4	-89.9	0	0	0	110.2	M79 I102 T116 S118 D120	M79-H98 WeakPolarHBondContact CB-O 3.38Å; H98-I102 HydrophobicContact CB-CG1 4.46Å; H98-T116 WeakPolarHBondContact NE2-CB 3.17Å; H98-T116 PolarHBondContact NE2-OG1 2.97Å; H98-S118 WeakPolarHBondContact CB-OG 3.36Å; H98-S118 WeakPolarHBondContact ND1-CB 3.23Å; H98-D120 WeakPolarHBondContact CB-OD2 3.48Å; H98-D120 IonicContact CE1-OD1 3.73Å; H98-D120 IonicContact CE1-OD2 2.89Å; H98-D120 IonicContact CG-OD2 3.71Å; H98-D120 VanDerWaalsContact ND1-CG 3.31Å; H98-D120 IonicContact ND1-OD1 2.75Å; H98-D120 PolarHBondContact ND1-OD1 2.86Å; H98-D120 VanDerWaalsContact ND1-OD1 3.14Å; H98-D120 IonicContact ND1-OD2 3.68Å; H98-D120 PolarHBondContact ND1-OD2 2.61Å
99	S	94.4	Very high	94.6	Very high	82 Å²	82	54.5 Å²	54.5	57%	0.573	27%	0.272	S	S	*	.	S	Bend	trans	-98.2	3.9	174.5	57.1	0	0	0	0	113.3	M79 D120	M79-S99 WeakPolarHBondContact CE-O 3.31Å; M79-S99 VanDerWaalsContact SD-O 3.41Å; S99-D120 PolarHBondContact N-OD2 3.45Å; S99-D120 WeakPolarHBondContact OG-CB 3.44Å
100	D	96.2	Very high	94.7	Very high	49 Å²	49	55.8 Å²	55.8	26%	0.262	28%	0.283	S	S	.	.	S	Bend	trans	-151.1	-179.2	-179.9	-149.5	-22.9	0	0	0	110.3	I102 S118 D119 D120	D100-I102 PolarHBondContact O-N 2.73Å; D100-S118 PolarHBondContact O-OG 3.47Å; D100-D119 HydrophobicContact CB-CB 3.91Å; D100-D120 HydrophobicContact CB-CB 4.14Å
101	Y	96.6	Very high	94.8	Very high	94 Å²	94	53.5 Å²	53.5	37%	0.369	27%	0.272	S	S	.	.			trans	-54.3	134.4	-173	-59.2	-21.2	0	0	0	113	D77 S118 D119	D77-Y101 HydrophobicContact CB-CD1 3.63Å; D77-Y101 HydrophobicContact CB-CE1 3.84Å; D77-Y101 HydrophobicContact CB-CG 4.19Å; D77-Y101 WeakPolarHBondContact O-CD1 3.49Å; D77-Y101 WeakPolarHBondContact O-CE1 3.39Å; Y101-S118 CarbonylContact O-C 3.56Å; Y101-S118 WeakPolarHBondContact O-CA 3.29Å; Y101-S118 VanDerWaalsContact O-CB 3.3Å; Y101-S118 WeakPolarHBondContact O-CB 3.5Å; Y101-S118 PolarHBondContact O-OG 3.2Å; Y101-D119 PolarHBondContact O-N 2.93Å
102	I	97	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.1	176.5	-58.7	174.7	0	0	0	108.5	R61 I81 A97 H98 D100 I105	R61-I102 WeakPolarHBondContact CB-O 3.47Å; R61-I102 WeakPolarHBondContact CD-O 3.41Å; I81-I102 HydrophobicContact CG1-CD1 3.78Å; A97-I102 HydrophobicContact CB-CD1 4.24Å; H98-I102 HydrophobicContact CB-CG1 4.46Å; D100-I102 PolarHBondContact O-N 2.73Å; I102-I105 HydrophobicContact CG2-CG1 4.32Å
103	R	95.6	Very high	94.9	Very high	53 Å²	53	47 Å²	47	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-44.9	-174.2	-67.3	-67.8	179	165.4	-4.7	113.4	S117 D119 V145 M146	R103-S117 PolarHBondContact N-O 3.31Å; R103-D119 VanDerWaalsContact CG-OD1 3.31Å; R103-D119 WeakPolarHBondContact CG-OD1 3.39Å; R103-D119 IonicContact CZ-OD1 3.94Å; R103-D119 IonicContact CZ-OD2 3.66Å; R103-D119 IonicContact NE-OD1 3.22Å; R103-D119 PolarHBondContact NE-OD1 3.49Å; R103-D119 IonicContact NE-OD2 3.69Å; R103-D119 PolarHBondContact NE-OD2 3.43Å; R103-D119 IonicContact NH2-OD1 3.77Å; R103-D119 PolarHBondContact NH2-OD1 2.81Å; R103-D119 IonicContact NH2-OD2 2.84Å; R103-D119 PolarHBondContact NH2-OD2 2.93Å; R103-V145 VanDerWaalsContact CB-O 3.24Å; R103-V145 WeakPolarHBondContact CB-O 3.46Å; R103-V145 WeakPolarHBondContact CG-O 3.32Å; R103-M146 WeakPolarHBondContact CB-O 3.15Å
104	C	96.2	Very high	95.1	Very high	18 Å²	18	43 Å²	43	12%	0.122	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.9	-176.1	-173.2	0	0	0	0	111.6	S117 Q147 I148	C104-S117 VanDerWaalsContact CB-OG 3.3Å; C104-S117 WeakPolarHBondContact CB-OG 3.49Å; C104-S117 PolarHBondContact N-OG 2.96Å; C104-S117 PolarHBondContact O-N 3.41Å; C104-S117 PolarHBondContact O-OG 3.41Å; C104-S117 VanDerWaalsContact O-OG 3.04Å; C104-Q147 HydrophobicContact CB-CG 4.47Å; C104-I148 HydrophobicContact CB-CG1 3.98Å
105	I	97.3	Very high	95.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.3	175.5	-63.7	176.4	0	0	0	107.4	A62 K64 V73 G75 I102 I114 L115 T116	A62-I105 HydrophobicContact CB-CB 4.17Å; A62-I105 HydrophobicContact CB-CD1 4.04Å; A62-I105 HydrophobicContact CB-CG1 3.8Å; K64-I105 WeakPolarHBondContact CG-O 3.39Å; V73-I105 HydrophobicContact CG1-CD1 4.14Å; V73-I105 HydrophobicContact CG1-CG2 4.39Å; G75-I105 VanDerWaalsContact N-CD1 3.34Å; I102-I105 HydrophobicContact CG2-CG1 4.32Å; I105-I114 HydrophobicContact CG2-CG2 3.6Å; I105-L115 WeakPolarHBondContact CA-O 3.46Å; I105-T116 HydrophobicContact CG1-CG2 3.98Å
106	A	96	Very high	95.2	Very high	12 Å²	12	38.1 Å²	38.1	10%	0.099	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.6	171	0	0	0	0	0	109.8	L115 I148 I150	A106-L115 HydrophobicContact CB-CB 4.34Å; A106-L115 PolarHBondContact N-O 2.78Å; A106-L115 PolarHBondContact O-N 3.18Å; A106-I148 HydrophobicContact CB-CD1 3.89Å; A106-I148 HydrophobicContact CB-CG1 4.05Å; A106-I150 HydrophobicContact CB-CD1 4.36Å; A106-I150 HydrophobicContact CB-CG1 4.29Å
107	V	95.8	Very high	95.3	Very high	37 Å²	37	32 Å²	32	22%	0.224	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.9	177.7	-178.9	0	0	0	0	108.5	K64 V66 W128	K64-V107 HydrophobicContact CB-CG2 3.93Å; V66-V107 HydrophobicContact CG2-CG1 4.03Å; V66-V107 HydrophobicContact CG2-CG2 3.92Å; V107-W128 HydrophobicContact CG1-CH2 4.3Å; V107-W128 HydrophobicContact CG1-CZ3 4.39Å
108	H	94.7	Very high	95.4	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.019	18%	0.175	C	C	.	.			trans	-71.8	132.5	176.6	-172.9	-77.4	0	0	0	111	R68 T110 Q111 F113 I150 N155	R68-H108 PolarHBondContact NH2-O 3.06Å; H108-T110 PolarHBondContact CE1-OG1 3.44Å; H108-T110 PolarHBondContact ND1-N 3.28Å; H108-T110 PolarHBondContact O-N 3.49Å; H108-Q111 PolarHBondContact CE1-N 3.31Å; H108-Q111 VanDerWaalsContact CE1-N 3.33Å; H108-Q111 WeakPolarHBondContact ND1-CB 3.37Å; H108-Q111 PolarHBondContact ND1-N 3.31Å; H108-Q111 PolarHBondContact ND1-O 3.42Å; H108-F113 HydrophobicContact CB-CB 3.79Å; H108-F113 WeakPolarHBondContact CB-O 3.48Å; H108-F113 PolarHBondContact N-O 2.64Å; H108-I150 HydrophobicContact CB-CD1 3.94Å; H108-N155 PolarHBondContact NE2-O 3.12Å
109	P	90.6	Very high	95.4	Very high	72 Å²	72	31.9 Å²	31.9	47%	0.468	18%	0.175	S	C	.	.	S	Bend	trans	-67.9	-32.8	-170.1	24.5	-34.2	0	0	0	114.2	N155	P109-N155 HydrophobicContact CG-CB 4.29Å; P109-N155 VanDerWaalsContact CG-CG 3.49Å; P109-N155 WeakPolarHBondContact CG-OD1 3.32Å
110	T	90.8	Very high	95.4	Very high	92 Å²	92	29.2 Å²	29.2	56%	0.564	15%	0.154	S	C	*	.	S	Bend	trans	-114.3	-54.4	-175.1	61.4	0	0	0	0	113.8	R68 H108	R68-T110 VanDerWaalsContact NH1-C 3.29Å; R68-T110 PolarHBondContact NH1-O 3.04Å; H108-T110 PolarHBondContact CE1-OG1 3.44Å; H108-T110 PolarHBondContact ND1-N 3.28Å; H108-T110 PolarHBondContact O-N 3.49Å
111	Q	92.9	Very high	95.3	Very high	85 Å²	85	30.7 Å²	30.7	40%	0.397	16%	0.161	S	C	.	.	S	Bend	trans	-74.2	154.6	176.1	-63.5	174.2	-11.6	0	0	113	R68 H108 F113	R68-Q111 PolarHBondContact NH1-O 3.01Å; R68-Q111 VanDerWaalsContact NH1-O 3.16Å; R68-Q111 PolarHBondContact NH2-O 3.38Å; H108-Q111 PolarHBondContact CE1-N 3.31Å; H108-Q111 VanDerWaalsContact CE1-N 3.33Å; H108-Q111 WeakPolarHBondContact ND1-CB 3.37Å; H108-Q111 PolarHBondContact ND1-N 3.31Å; H108-Q111 PolarHBondContact ND1-O 3.42Å; Q111-F113 HydrophobicContact CB-CD2 3.83Å; Q111-F113 HydrophobicContact CB-CE2 4.01Å; Q111-F113 HydrophobicContact CB-CG 4.26Å; Q111-F113 PolarHBondContact O-N 3.11Å; Q111-F113 VanDerWaalsContact OE1-CD2 3.3Å
112	P	94.9	Very high	95.3	Very high	27 Å²	27	28 Å²	28	18%	0.175	15%	0.153	C	C	.	.	S	Bend	trans	-75.9	45.8	-176.4	34.9	-40.6	0	0	0	113.8	W128 D129	P112-W128 VanDerWaalsContact C-CE3 3.46Å; P112-W128 HydrophobicContact CB-CD2 3.85Å; P112-W128 HydrophobicContact CB-CG 4.15Å; P112-W128 HydrophobicContact CB-CZ2 3.93Å; P112-W128 PolarHBondContact O-N 3.1Å; P112-D129 HydrophobicContact CB-CB 4.29Å; P112-D129 WeakPolarHBondContact CB-OD2 3.36Å; P112-D129 HydrophobicContact CG-CB 4.18Å; P112-D129 VanDerWaalsContact CG-OD2 3.3Å; P112-D129 WeakPolarHBondContact CG-OD2 3.43Å
113	F	94.9	Very high	95.3	Very high	34 Å²	34	28.1 Å²	28.1	15%	0.149	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147	-173	-62.2	-25.6	0	0	0	113.7	H108 Q111 L125 W126 D127 L172	H108-F113 HydrophobicContact CB-CB 3.79Å; H108-F113 WeakPolarHBondContact CB-O 3.48Å; H108-F113 PolarHBondContact N-O 2.64Å; Q111-F113 HydrophobicContact CB-CD2 3.83Å; Q111-F113 HydrophobicContact CB-CE2 4.01Å; Q111-F113 HydrophobicContact CB-CG 4.26Å; Q111-F113 PolarHBondContact O-N 3.11Å; Q111-F113 VanDerWaalsContact OE1-CD2 3.3Å; F113-L125 HydrophobicContact CB-CD1 3.77Å; F113-L125 HydrophobicContact CD2-CD1 4.2Å; F113-L125 HydrophobicContact CD2-CD2 4.49Å; F113-L125 HydrophobicContact CG-CD1 4.02Å; F113-W126 WeakPolarHBondContact CA-O 3.09Å; F113-D127 HydrophobicContact CD1-CB 3.97Å; F113-D127 HydrophobicContact CE1-CB 3.89Å; F113-L172 HydrophobicContact CD2-CD1 4.34Å
114	I	96.4	Very high	95.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130	169.1	-65	164.3	0	0	0	108.3	V73 I105 T116 W126 W128 W132	V73-I114 HydrophobicContact CG1-CD1 4.2Å; V73-I114 HydrophobicContact CG2-CD1 3.88Å; I105-I114 HydrophobicContact CG2-CG2 3.6Å; I114-T116 HydrophobicContact CG2-CG2 3.96Å; I114-W126 PolarHBondContact N-O 2.88Å; I114-W126 PolarHBondContact O-N 3.39Å; I114-W128 HydrophobicContact CD1-CE3 3.58Å; I114-W128 HydrophobicContact CD1-CZ3 3.6Å; I114-W128 HydrophobicContact CG1-CE3 3.7Å; I114-W128 HydrophobicContact CG1-CZ3 3.46Å; I114-W128 VanDerWaalsContact CG1-CZ3 3.46Å; I114-W132 HydrophobicContact CD1-CH2 3.34Å; I114-W132 HydrophobicContact CD1-CZ3 3.34Å
115	L	96.8	Very high	95.3	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136	168	-71.8	166.4	0	0	0	108.6	I105 A106 I123 K124 L125 F138 I148 I150 F158 L172	I105-L115 WeakPolarHBondContact CA-O 3.46Å; A106-L115 HydrophobicContact CB-CB 4.34Å; A106-L115 PolarHBondContact N-O 2.78Å; A106-L115 PolarHBondContact O-N 3.18Å; L115-I123 HydrophobicContact CD2-CG2 4.2Å; L115-K124 WeakPolarHBondContact CA-O 3.32Å; L115-L125 HydrophobicContact CD2-CB 3.98Å; L115-L125 HydrophobicContact CD2-CD1 3.51Å; L115-L125 HydrophobicContact CD2-CG 4.37Å; L115-L125 HydrophobicContact CG-CD1 3.86Å; L115-F138 HydrophobicContact CD2-CE2 3.88Å; L115-I148 HydrophobicContact CB-CD1 3.53Å; L115-I148 WeakPolarHBondContact O-CD1 3.41Å; L115-I150 HydrophobicContact CD1-CD1 4.13Å; L115-I150 HydrophobicContact CD1-CG1 3.9Å; L115-F158 HydrophobicContact CD1-CB 4.04Å; L115-F158 HydrophobicContact CD1-CD1 3.78Å; L115-F158 HydrophobicContact CD1-CD2 4.04Å; L115-F158 HydrophobicContact CD1-CE1 4.2Å; L115-F158 HydrophobicContact CD1-CE2 4.45Å; L115-F158 HydrophobicContact CD1-CG 3.69Å; L115-F158 HydrophobicContact CD2-CE1 4.25Å; L115-F158 HydrophobicContact CD2-CZ 4.26Å; L115-L172 HydrophobicContact CD2-CD2 4.44Å
116	T	97.4	Very high	95.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.7	172.7	57.9	0	0	0	0	110.8	I81 H98 I105 I114 I123 K124 W126	I81-T116 HydrophobicContact CD1-CG2 3.28Å; I81-T116 HydrophobicContact CG1-CG2 4.29Å; H98-T116 WeakPolarHBondContact NE2-CB 3.17Å; H98-T116 PolarHBondContact NE2-OG1 2.97Å; I105-T116 HydrophobicContact CG1-CG2 3.98Å; I114-T116 HydrophobicContact CG2-CG2 3.96Å; T116-I123 CarbonylContact O-C 3.55Å; T116-I123 VanDerWaalsContact O-CA 3.26Å; T116-I123 WeakPolarHBondContact O-CA 3.47Å; T116-I123 WeakPolarHBondContact O-CG2 3.13Å; T116-K124 PolarHBondContact N-O 3.17Å; T116-K124 PolarHBondContact O-N 3.41Å; T116-W126 PolarHBondContact OG1-NE1 2.83Å
117	S	96.4	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.5	179.3	52.4	0	0	0	0	110	R103 C104	R103-S117 PolarHBondContact N-O 3.31Å; C104-S117 VanDerWaalsContact CB-OG 3.3Å; C104-S117 WeakPolarHBondContact CB-OG 3.49Å; C104-S117 PolarHBondContact N-OG 2.96Å; C104-S117 PolarHBondContact O-N 3.41Å; C104-S117 PolarHBondContact O-OG 3.41Å; C104-S117 VanDerWaalsContact O-OG 3.04Å
118	S	96.7	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	168.8	-172.1	175.1	0	0	0	0	112.9	H98 D100 Y101 D120 M121 L122 V145	H98-S118 WeakPolarHBondContact CB-OG 3.36Å; H98-S118 WeakPolarHBondContact ND1-CB 3.23Å; D100-S118 PolarHBondContact O-OG 3.47Å; Y101-S118 CarbonylContact O-C 3.56Å; Y101-S118 WeakPolarHBondContact O-CA 3.29Å; Y101-S118 VanDerWaalsContact O-CB 3.3Å; Y101-S118 WeakPolarHBondContact O-CB 3.5Å; Y101-S118 PolarHBondContact O-OG 3.2Å; S118-D120 WeakPolarHBondContact CB-OD1 3.43Å; S118-D120 PolarHBondContact O-N 3.06Å; S118-D120 PolarHBondContact OG-N 2.93Å; S118-M121 PolarHBondContact O-N 2.97Å; S118-L122 PolarHBondContact N-O 3.25Å; S118-V145 PolarHBondContact O-N 3.21Å
119	D	96.2	Very high	95.1	Very high	5 Å²	5	31 Å²	31	3%	0.027	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.5	170.6	-72.9	4.2	0	0	0	112.5	D100 Y101 R103 M121 Y144	D100-D119 HydrophobicContact CB-CB 3.91Å; Y101-D119 PolarHBondContact O-N 2.93Å; R103-D119 VanDerWaalsContact CG-OD1 3.31Å; R103-D119 WeakPolarHBondContact CG-OD1 3.39Å; R103-D119 IonicContact CZ-OD1 3.94Å; R103-D119 IonicContact CZ-OD2 3.66Å; R103-D119 IonicContact NE-OD1 3.22Å; R103-D119 PolarHBondContact NE-OD1 3.49Å; R103-D119 IonicContact NE-OD2 3.69Å; R103-D119 PolarHBondContact NE-OD2 3.43Å; R103-D119 IonicContact NH2-OD1 3.77Å; R103-D119 PolarHBondContact NH2-OD1 2.81Å; R103-D119 IonicContact NH2-OD2 2.84Å; R103-D119 PolarHBondContact NH2-OD2 2.93Å; D119-M121 PolarHBondContact O-N 3.39Å; D119-Y144 HydrophobicContact CB-CD1 3.65Å; D119-Y144 HydrophobicContact CB-CE1 3.9Å; D119-Y144 HydrophobicContact CB-CG 3.99Å; D119-Y144 VanDerWaalsContact O-CD1 3.27Å; D119-Y144 WeakPolarHBondContact O-CD1 3.22Å; D119-Y144 WeakPolarHBondContact OD1-CB 3.16Å
120	D	94.7	Very high	95.2	Very high	25 Å²	25	33.8 Å²	33.8	13%	0.134	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	4.7	171.6	74.5	0.4	0	0	0	114.1	H98 S99 D100 S118 L122	H98-D120 WeakPolarHBondContact CB-OD2 3.48Å; H98-D120 IonicContact CE1-OD1 3.73Å; H98-D120 IonicContact CE1-OD2 2.89Å; H98-D120 IonicContact CG-OD2 3.71Å; H98-D120 VanDerWaalsContact ND1-CG 3.31Å; H98-D120 IonicContact ND1-OD1 2.75Å; H98-D120 PolarHBondContact ND1-OD1 2.86Å; H98-D120 VanDerWaalsContact ND1-OD1 3.14Å; H98-D120 IonicContact ND1-OD2 3.68Å; H98-D120 PolarHBondContact ND1-OD2 2.61Å; S99-D120 PolarHBondContact N-OD2 3.45Å; S99-D120 WeakPolarHBondContact OG-CB 3.44Å; D100-D120 HydrophobicContact CB-CB 4.14Å; S118-D120 WeakPolarHBondContact CB-OD1 3.43Å; S118-D120 PolarHBondContact O-N 3.06Å; S118-D120 PolarHBondContact OG-N 2.93Å; D120-L122 PolarHBondContact O-N 3.39Å; D120-L122 VanDerWaalsContact OD1-CB 3.27Å; D120-L122 WeakPolarHBondContact OD1-CB 3.47Å; D120-L122 PolarHBondContact OD1-N 3.35Å
121	M	94.6	Very high	95.3	Very high	80 Å²	80	38.5 Å²	38.5	39%	0.394	18%	0.182	S	C	.	.	S	Bend	trans	70.5	5.2	179.5	-44.4	175	-171.5	0	0	114.1	S118 D119	S118-M121 PolarHBondContact O-N 2.97Å; D119-M121 PolarHBondContact O-N 3.39Å
122	L	95.3	Very high	95.3	Very high	39 Å²	39	35.2 Å²	35.2	20%	0.204	17%	0.166	C	C	.	.			trans	-104.2	152.9	-177.3	-54.4	178	0	0	0	111.7	S118 D120 V137 E139	S118-L122 PolarHBondContact N-O 3.25Å; D120-L122 PolarHBondContact O-N 3.39Å; D120-L122 VanDerWaalsContact OD1-CB 3.27Å; D120-L122 WeakPolarHBondContact OD1-CB 3.47Å; D120-L122 PolarHBondContact OD1-N 3.35Å; L122-V137 HydrophobicContact CB-CG1 4.26Å; L122-V137 HydrophobicContact CD1-CG1 4.12Å; L122-V137 HydrophobicContact CD2-CG1 4.14Å; L122-V137 HydrophobicContact CG-CG1 4.42Å; L122-E139 HydrophobicContact CD2-CG 3.45Å; L122-E139 VanDerWaalsContact CD2-CG 3.45Å
123	I	96.8	Very high	95.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.6	163.7	-52.9	167.1	0	0	0	106.8	L115 T116 F138 V145 I148 F158 W170	L115-I123 HydrophobicContact CD2-CG2 4.2Å; T116-I123 CarbonylContact O-C 3.55Å; T116-I123 VanDerWaalsContact O-CA 3.26Å; T116-I123 WeakPolarHBondContact O-CA 3.47Å; T116-I123 WeakPolarHBondContact O-CG2 3.13Å; I123-F138 HydrophobicContact CB-CB 4.14Å; I123-F138 HydrophobicContact CB-CD2 4.16Å; I123-F138 HydrophobicContact CG2-CD2 4.11Å; I123-F138 PolarHBondContact N-O 3.03Å; I123-F138 WeakPolarHBondContact O-CD2 3.43Å; I123-F138 PolarHBondContact O-N 2.9Å; I123-V145 HydrophobicContact CD1-CG1 3.97Å; I123-V145 HydrophobicContact CG1-CB 4.45Å; I123-V145 HydrophobicContact CG1-CG1 3.91Å; I123-V145 HydrophobicContact CG1-CG2 4.24Å; I123-I148 HydrophobicContact CD1-CG2 3.98Å; I123-I148 HydrophobicContact CG1-CG2 4.31Å; I123-I148 HydrophobicContact CG2-CG2 4.26Å; I123-F158 HydrophobicContact CD1-CE2 4Å; I123-F158 HydrophobicContact CG2-CE2 4.04Å; I123-F158 HydrophobicContact CG2-CZ 4.33Å; I123-W170 HydrophobicContact CD1-CZ2 4.49Å
124	K	96.5	Very high	95.2	Very high	35 Å²	35	37.1 Å²	37.1	15%	0.152	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.9	-178.5	-65.8	-178.3	-173.8	174.8	0	110.8	A97 L115 T116 W126 V137	A97-K124 VanDerWaalsContact O-CD 3.26Å; A97-K124 WeakPolarHBondContact O-CD 3.25Å; A97-K124 PolarHBondContact O-NZ 2.84Å; L115-K124 WeakPolarHBondContact CA-O 3.32Å; T116-K124 PolarHBondContact N-O 3.17Å; T116-K124 PolarHBondContact O-N 3.41Å; K124-W126 HydrophobicContact CB-CZ2 3.99Å; K124-W126 HydrophobicContact CD-CH2 4.44Å; K124-W126 HydrophobicContact CD-CZ2 3.71Å; K124-V137 HydrophobicContact CG-CG1 4.33Å; K124-V137 HydrophobicContact CG-CG2 4.26Å
125	L	96.6	Very high	95	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.6	174.2	-176.5	74.3	0	0	0	109.6	F113 L115 C134 S135 Q136 F138 L172	F113-L125 HydrophobicContact CB-CD1 3.77Å; F113-L125 HydrophobicContact CD2-CD1 4.2Å; F113-L125 HydrophobicContact CD2-CD2 4.49Å; F113-L125 HydrophobicContact CG-CD1 4.02Å; L115-L125 HydrophobicContact CD2-CB 3.98Å; L115-L125 HydrophobicContact CD2-CD1 3.51Å; L115-L125 HydrophobicContact CD2-CG 4.37Å; L115-L125 HydrophobicContact CG-CD1 3.86Å; L125-C134 CarbonylContact O-C 3.52Å; L125-C134 WeakPolarHBondContact O-CA 3.31Å; L125-S135 PolarHBondContact O-N 3.48Å; L125-Q136 HydrophobicContact CB-CB 4.09Å; L125-Q136 HydrophobicContact CD2-CB 4.21Å; L125-Q136 PolarHBondContact N-O 3.35Å; L125-F138 HydrophobicContact CB-CE2 4.09Å; L125-L172 HydrophobicContact CD1-CD2 3.93Å; L125-L172 HydrophobicContact CD2-CD2 4.13Å
126	W	96.3	Very high	94.9	Very high	19 Å²	19	41.1 Å²	41.1	7%	0.072	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.6	179.9	-54.5	92.4	0	0	0	110.1	F95 A97 F113 I114 T116 K124 W132 C134	F95-W126 HydrophobicContact CD2-CE3 4.34Å; F95-W126 HydrophobicContact CD2-CH2 4.1Å; F95-W126 AromaticContact CD2-CZ3 3.95Å; F95-W126 HydrophobicContact CD2-CZ3 3.95Å; F95-W126 AromaticContact CE2-CD2 3.67Å; F95-W126 HydrophobicContact CE2-CD2 3.67Å; F95-W126 AromaticContact CE2-CE2 3.83Å; F95-W126 AromaticContact CE2-CE3 3.52Å; F95-W126 HydrophobicContact CE2-CE3 3.52Å; F95-W126 HydrophobicContact CE2-CG 4.43Å; F95-W126 AromaticContact CE2-CH2 3.72Å; F95-W126 HydrophobicContact CE2-CH2 3.72Å; F95-W126 AromaticContact CE2-CZ2 3.89Å; F95-W126 HydrophobicContact CE2-CZ2 3.89Å; F95-W126 AromaticContact CE2-CZ3 3.53Å; F95-W126 HydrophobicContact CE2-CZ3 3.53Å; F95-W126 AromaticContact CZ-CD2 4Å; F95-W126 HydrophobicContact CZ-CD2 4Å; F95-W126 HydrophobicContact CZ-CE3 4.02Å; F95-W126 HydrophobicContact CZ-CG 4.32Å; F95-W126 HydrophobicContact CZ-CZ3 4.44Å; A97-W126 HydrophobicContact CB-CH2 4.31Å; A97-W126 HydrophobicContact CB-CZ2 3.63Å; A97-W126 WeakPolarHBondContact O-CZ2 3.29Å; F113-W126 WeakPolarHBondContact CA-O 3.09Å; I114-W126 PolarHBondContact N-O 2.88Å; I114-W126 PolarHBondContact O-N 3.39Å; T116-W126 PolarHBondContact OG1-NE1 2.83Å; K124-W126 HydrophobicContact CB-CZ2 3.99Å; K124-W126 HydrophobicContact CD-CH2 4.44Å; K124-W126 HydrophobicContact CD-CZ2 3.71Å; W126-W132 HydrophobicContact CB-CE3 4.45Å; W126-C134 HydrophobicContact CE3-CB 3.89Å; W126-C134 HydrophobicContact CH2-CB 3.94Å; W126-C134 HydrophobicContact CZ3-CB 3.58Å
127	D	95.2	Very high	94.8	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.3	175.4	-178.2	-18.8	0	0	0	109.1	F113 D129 K130 W132 S133 S135	F113-D127 HydrophobicContact CD1-CB 3.97Å; F113-D127 HydrophobicContact CE1-CB 3.89Å; D127-D129 PolarHBondContact OD1-N 3.22Å; D127-K130 HydrophobicContact CB-CB 4.14Å; D127-K130 HydrophobicContact CB-CD 4.43Å; D127-K130 HydrophobicContact CB-CG 4.46Å; D127-K130 CarbonylContact O-C 3.56Å; D127-K130 PolarHBondContact O-N 3.48Å; D127-K130 PolarHBondContact OD1-N 3.4Å; D127-K130 VanDerWaalsContact OD1-N 3.13Å; D127-K130 WeakPolarHBondContact OD2-CD 3.3Å; D127-K130 WeakPolarHBondContact OD2-CE 3.17Å; D127-K130 WeakPolarHBondContact OD2-CG 3.45Å; D127-K130 IonicContact OD2-NZ 3.55Å; D127-W132 WeakPolarHBondContact O-CA 3.17Å; D127-W132 PolarHBondContact O-N 3.28Å; D127-S133 PolarHBondContact N-O 3.47Å; D127-S133 VanDerWaalsContact N-O 3.12Å; D127-S133 PolarHBondContact O-N 3.02Å; D127-S135 WeakPolarHBondContact CB-OG 3.24Å
128	W	94.2	Very high	94.7	Very high	15 Å²	15	43.6 Å²	43.6	6%	0.057	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-22.8	-176.9	64.6	67.2	0	0	0	113.4	V66 R68 W71 V107 P112 I114 K130 K131 W132	V66-W128 HydrophobicContact CG1-CH2 3.7Å; V66-W128 HydrophobicContact CG1-CZ2 4.23Å; R68-W128 VanDerWaalsContact NE-CH2 3.3Å; W71-W128 HydrophobicContact CZ3-CG 4.28Å; V107-W128 HydrophobicContact CG1-CH2 4.3Å; V107-W128 HydrophobicContact CG1-CZ3 4.39Å; P112-W128 VanDerWaalsContact C-CE3 3.46Å; P112-W128 HydrophobicContact CB-CD2 3.85Å; P112-W128 HydrophobicContact CB-CG 4.15Å; P112-W128 HydrophobicContact CB-CZ2 3.93Å; P112-W128 PolarHBondContact O-N 3.1Å; I114-W128 HydrophobicContact CD1-CE3 3.58Å; I114-W128 HydrophobicContact CD1-CZ3 3.6Å; I114-W128 HydrophobicContact CG1-CE3 3.7Å; I114-W128 HydrophobicContact CG1-CZ3 3.46Å; I114-W128 VanDerWaalsContact CG1-CZ3 3.46Å; W128-K130 VanDerWaalsContact C-N 3.27Å; W128-K131 PolarHBondContact O-N 3.15Å; W128-W132 HydrophobicContact CB-CD2 3.82Å; W128-W132 VanDerWaalsContact CB-CE2 3.43Å; W128-W132 HydrophobicContact CB-CE3 4.29Å; W128-W132 HydrophobicContact CB-CG 4.35Å; W128-W132 HydrophobicContact CB-CH2 4.11Å; W128-W132 HydrophobicContact CB-CZ2 3.56Å; W128-W132 HydrophobicContact CB-CZ3 4.46Å; W128-W132 HydrophobicContact CG-CZ2 4.44Å
129	D	93.6	Very high	94.6	Very high	104 Å²	104	49.8 Å²	49.8	56%	0.556	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-28.1	175.1	-76.2	-14.7	0	0	0	110	P112 D127 K131	P112-D129 HydrophobicContact CB-CB 4.29Å; P112-D129 WeakPolarHBondContact CB-OD2 3.36Å; P112-D129 HydrophobicContact CG-CB 4.18Å; P112-D129 VanDerWaalsContact CG-OD2 3.3Å; P112-D129 WeakPolarHBondContact CG-OD2 3.43Å; D127-D129 PolarHBondContact OD1-N 3.22Å; D129-K131 PolarHBondContact O-N 3.38Å
130	K	92.9	Very high	94.3	Very high	130 Å²	130	51.4 Å²	51.4	57%	0.565	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	39.5	169.4	-63.3	-179.2	-167.6	162.5	0	113.2	D127 W128 W132 S133	D127-K130 HydrophobicContact CB-CB 4.14Å; D127-K130 HydrophobicContact CB-CD 4.43Å; D127-K130 HydrophobicContact CB-CG 4.46Å; D127-K130 CarbonylContact O-C 3.56Å; D127-K130 PolarHBondContact O-N 3.48Å; D127-K130 PolarHBondContact OD1-N 3.4Å; D127-K130 VanDerWaalsContact OD1-N 3.13Å; D127-K130 WeakPolarHBondContact OD2-CD 3.3Å; D127-K130 WeakPolarHBondContact OD2-CE 3.17Å; D127-K130 WeakPolarHBondContact OD2-CG 3.45Å; D127-K130 IonicContact OD2-NZ 3.55Å; W128-K130 VanDerWaalsContact C-N 3.27Å; K130-W132 VanDerWaalsContact C-N 3.29Å; K130-W132 PolarHBondContact O-N 3.37Å; K130-S133 WeakPolarHBondContact CB-OG 3.22Å; K130-S133 WeakPolarHBondContact O-CB 3.36Å; K130-S133 PolarHBondContact O-N 2.87Å; K130-S133 PolarHBondContact O-OG 3.08Å
131	K	91.8	Very high	94.3	Very high	190 Å²	190	50.8 Å²	50.8	83%	0.826	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	41.8	177.5	-57.8	-178.7	176.9	-179.6	0	113.2	W128 D129 S133	W128-K131 PolarHBondContact O-N 3.15Å; D129-K131 PolarHBondContact O-N 3.38Å; K131-S133 VanDerWaalsContact C-N 3.27Å; K131-S133 PolarHBondContact O-N 3.02Å
132	W	93.3	Very high	94.4	Very high	16 Å²	16	52 Å²	52	6%	0.061	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	34.3	179.5	-61.4	85.7	0	0	0	113.6	W71 V73 V83 H93 F95 I114 W126 D127 W128 K130	W71-W132 HydrophobicContact CE3-CZ2 4.45Å; W71-W132 HydrophobicContact CZ3-CZ2 4.02Å; V73-W132 HydrophobicContact CG2-CH2 4.48Å; V83-W132 HydrophobicContact CB-CZ2 4.41Å; V83-W132 HydrophobicContact CG1-CZ2 4.34Å; V83-W132 HydrophobicContact CG2-CH2 3.37Å; V83-W132 HydrophobicContact CG2-CZ2 3.54Å; V83-W132 HydrophobicContact CG2-CZ3 4.09Å; H93-W132 AromaticContact CD2-CD1 3.58Å; H93-W132 AromaticContact CD2-CE2 3.97Å; H93-W132 AromaticContact CD2-NE1 3.02Å; H93-W132 PolarHBondContact CD2-NE1 3.33Å; H93-W132 AromaticContact CG-CD1 3.7Å; H93-W132 AromaticContact CG-NE1 3.46Å; H93-W132 AromaticContact ND1-CD1 3.97Å; H93-W132 AromaticContact NE2-CD1 3.78Å; H93-W132 AromaticContact NE2-NE1 3.53Å; F95-W132 HydrophobicContact CD1-CB 4.33Å; F95-W132 HydrophobicContact CD1-CE3 4.47Å; F95-W132 HydrophobicContact CE1-CB 4.04Å; F95-W132 AromaticContact CE1-CD2 3.78Å; F95-W132 HydrophobicContact CE1-CD2 3.78Å; F95-W132 AromaticContact CE1-CE3 3.32Å; F95-W132 HydrophobicContact CE1-CE3 3.32Å; F95-W132 HydrophobicContact CE1-CG 4.09Å; F95-W132 AromaticContact CE1-CZ3 3.97Å; F95-W132 HydrophobicContact CE1-CZ3 3.97Å; F95-W132 HydrophobicContact CZ-CB 4.45Å; F95-W132 HydrophobicContact CZ-CD2 4.39Å; F95-W132 AromaticContact CZ-CE3 3.58Å; F95-W132 HydrophobicContact CZ-CE3 3.58Å; F95-W132 HydrophobicContact CZ-CZ3 4.19Å; I114-W132 HydrophobicContact CD1-CH2 3.34Å; I114-W132 HydrophobicContact CD1-CZ3 3.34Å; W126-W132 HydrophobicContact CB-CE3 4.45Å; D127-W132 WeakPolarHBondContact O-CA 3.17Å; D127-W132 PolarHBondContact O-N 3.28Å; W128-W132 HydrophobicContact CB-CD2 3.82Å; W128-W132 VanDerWaalsContact CB-CE2 3.43Å; W128-W132 HydrophobicContact CB-CE3 4.29Å; W128-W132 HydrophobicContact CB-CG 4.35Å; W128-W132 HydrophobicContact CB-CH2 4.11Å; W128-W132 HydrophobicContact CB-CZ2 3.56Å; W128-W132 HydrophobicContact CB-CZ3 4.46Å; W128-W132 HydrophobicContact CG-CZ2 4.44Å; K130-W132 VanDerWaalsContact C-N 3.29Å; K130-W132 PolarHBondContact O-N 3.37Å
133	S	94.2	Very high	94.4	Very high	46 Å²	46	53.7 Å²	53.7	32%	0.322	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.1	173.7	64.5	0	0	0	0	111.1	D127 K130 K131 S135	D127-S133 PolarHBondContact N-O 3.47Å; D127-S133 VanDerWaalsContact N-O 3.12Å; D127-S133 PolarHBondContact O-N 3.02Å; K130-S133 WeakPolarHBondContact CB-OG 3.22Å; K130-S133 WeakPolarHBondContact O-CB 3.36Å; K130-S133 PolarHBondContact O-N 2.87Å; K130-S133 PolarHBondContact O-OG 3.08Å; K131-S133 VanDerWaalsContact C-N 3.27Å; K131-S133 PolarHBondContact O-N 3.02Å; S133-S135 PolarHBondContact O-N 2.86Å; S133-S135 VanDerWaalsContact O-N 3.11Å
134	C	94.1	Very high	94.4	Very high	55 Å²	55	57.3 Å²	57.3	37%	0.372	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	104.1	168.5	-171.3	0	0	0	0	108.9	L125 W126	L125-C134 CarbonylContact O-C 3.52Å; L125-C134 WeakPolarHBondContact O-CA 3.31Å; W126-C134 HydrophobicContact CE3-CB 3.89Å; W126-C134 HydrophobicContact CH2-CB 3.94Å; W126-C134 HydrophobicContact CZ3-CB 3.58Å
135	S	92.3	Very high	94.4	Very high	56 Å²	56	55.7 Å²	55.7	39%	0.392	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-35.8	-177.6	-69.8	0	0	0	0	111.9	L125 D127 S133	L125-S135 PolarHBondContact O-N 3.48Å; D127-S135 WeakPolarHBondContact CB-OG 3.24Å; S133-S135 PolarHBondContact O-N 2.86Å; S133-S135 VanDerWaalsContact O-N 3.11Å
136	Q	93.1	Very high	94.4	Very high	33 Å²	33	57 Å²	57	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	145.1	-175.7	-167.1	174.1	-10.3	0	0	111.2	L125 F138 S174	L125-Q136 HydrophobicContact CB-CB 4.09Å; L125-Q136 HydrophobicContact CD2-CB 4.21Å; L125-Q136 PolarHBondContact N-O 3.35Å; Q136-F138 HydrophobicContact CB-CE2 4.37Å; Q136-F138 HydrophobicContact CB-CZ 4.35Å; Q136-F138 VanDerWaalsContact CD-CZ 3.46Å; Q136-F138 HydrophobicContact CG-CE1 4.23Å; Q136-F138 HydrophobicContact CG-CE2 4.25Å; Q136-F138 HydrophobicContact CG-CZ 3.98Å; Q136-S174 PolarHBondContact NE2-O 3.16Å
137	V	95.5	Very high	94.4	Very high	51 Å²	51	58.5 Å²	58.5	31%	0.309	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133	170.5	-173.5	0	0	0	0	107.8	L122 K124 E139	L122-V137 HydrophobicContact CB-CG1 4.26Å; L122-V137 HydrophobicContact CD1-CG1 4.12Å; L122-V137 HydrophobicContact CD2-CG1 4.14Å; L122-V137 HydrophobicContact CG-CG1 4.42Å; K124-V137 HydrophobicContact CG-CG1 4.33Å; K124-V137 HydrophobicContact CG-CG2 4.26Å; V137-E139 HydrophobicContact CG1-CG 4.25Å
138	F	95.3	Very high	94.4	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.3	176.6	-54	-92.1	0	0	0	109	L115 I123 L125 Q136 F158 W170 L172 S174	L115-F138 HydrophobicContact CD2-CE2 3.88Å; I123-F138 HydrophobicContact CB-CB 4.14Å; I123-F138 HydrophobicContact CB-CD2 4.16Å; I123-F138 HydrophobicContact CG2-CD2 4.11Å; I123-F138 PolarHBondContact N-O 3.03Å; I123-F138 WeakPolarHBondContact O-CD2 3.43Å; I123-F138 PolarHBondContact O-N 2.9Å; L125-F138 HydrophobicContact CB-CE2 4.09Å; Q136-F138 HydrophobicContact CB-CE2 4.37Å; Q136-F138 HydrophobicContact CB-CZ 4.35Å; Q136-F138 VanDerWaalsContact CD-CZ 3.46Å; Q136-F138 HydrophobicContact CG-CE1 4.23Å; Q136-F138 HydrophobicContact CG-CE2 4.25Å; Q136-F138 HydrophobicContact CG-CZ 3.98Å; F138-F158 HydrophobicContact CD1-CE1 4.28Å; F138-F158 AromaticContact CD1-CZ 3.9Å; F138-F158 HydrophobicContact CD1-CZ 3.9Å; F138-F158 HydrophobicContact CD2-CE1 4.35Å; F138-F158 AromaticContact CD2-CZ 3.71Å; F138-F158 HydrophobicContact CD2-CZ 3.71Å; F138-F158 AromaticContact CE1-CE1 3.74Å; F138-F158 HydrophobicContact CE1-CE1 3.74Å; F138-F158 AromaticContact CE1-CZ 3.83Å; F138-F158 HydrophobicContact CE1-CZ 3.83Å; F138-F158 AromaticContact CE2-CE1 3.85Å; F138-F158 HydrophobicContact CE2-CE1 3.85Å; F138-F158 AromaticContact CE2-CZ 3.66Å; F138-F158 HydrophobicContact CE2-CZ 3.66Å; F138-F158 AromaticContact CG-CZ 3.85Å; F138-F158 HydrophobicContact CG-CZ 3.85Å; F138-F158 AromaticContact CZ-CE1 3.53Å; F138-F158 HydrophobicContact CZ-CE1 3.53Å; F138-F158 AromaticContact CZ-CZ 3.74Å; F138-F158 HydrophobicContact CZ-CZ 3.74Å; F138-W170 HydrophobicContact CB-CD2 4.25Å; F138-W170 HydrophobicContact CB-CE3 3.83Å; F138-W170 HydrophobicContact CB-CH2 4.16Å; F138-W170 HydrophobicContact CB-CZ3 3.77Å; F138-W170 HydrophobicContact CD1-CB 4.41Å; F138-W170 HydrophobicContact CD1-CD2 4.23Å; F138-W170 AromaticContact CD1-CE3 3.71Å; F138-W170 HydrophobicContact CD1-CE3 3.71Å; F138-W170 HydrophobicContact CD1-CZ3 4.35Å; F138-W170 HydrophobicContact CG-CE3 4.18Å; F138-L172 HydrophobicContact CZ-CD2 4.07Å; F138-S174 WeakPolarHBondContact CE1-O 3.45Å
139	E	93.4	Very high	94.5	Very high	130 Å²	130	58.8 Å²	58.8	61%	0.607	31%	0.309	S	S	*	.			trans	-113.8	134	-177.3	-75.2	175.7	-166.7	0	0	109.6	L122 V137	L122-E139 HydrophobicContact CD2-CG 3.45Å; L122-E139 VanDerWaalsContact CD2-CG 3.45Å; V137-E139 HydrophobicContact CG1-CG 4.25Å
140	G	91.3	Very high	94.6	Very high	38 Å²	38	54.7 Å²	54.7	39%	0.392	29%	0.287	S	S	.	.			trans	158.1	-14.2	175	0	0	0	0	0	116	K168	G140-K168 VanDerWaalsContact O-CE 3.22Å; G140-K168 WeakPolarHBondContact O-CE 3.49Å
141	H	95.1	Very high	94.6	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.06	26%	0.261	C	S	.	.			trans	-77.7	149.4	167	-81.6	-60.8	0	0	0	110.8	V145 S160 S162 D164 T166	H141-V145 HydrophobicContact CB-CG2 4Å; H141-S160 PolarHBondContact CD2-OG 3.07Å; H141-S160 PolarHBondContact NE2-OG 2.9Å; H141-S162 WeakPolarHBondContact CE1-CB 3.27Å; H141-S162 WeakPolarHBondContact ND1-CB 3.36Å; H141-D164 WeakPolarHBondContact CA-OD2 3.48Å; H141-D164 IonicContact CE1-OD1 3.47Å; H141-D164 IonicContact CE1-OD2 3.02Å; H141-D164 IonicContact CG-OD2 2.64Å; H141-D164 IonicContact ND1-OD1 3.52Å; H141-D164 PolarHBondContact ND1-OD1 3.4Å; H141-D164 IonicContact ND1-OD2 3.44Å; H141-D164 PolarHBondContact ND1-OD2 3.33Å; H141-T166 PolarHBondContact CE1-OG1 3.27Å; H141-T166 PolarHBondContact ND1-OG1 3.43Å
142	T	94.8	Very high	94.4	Very high	106 Å²	106	40.9 Å²	40.9	65%	0.65	23%	0.23	S	C	*	.	S	Bend	trans	-108.8	3.6	-179.4	63.7	0	0	0	0	113.2	D164	T142-D164 PolarHBondContact N-OD2 3.29Å; T142-D164 VanDerWaalsContact N-OD2 3.11Å; T142-D164 VanDerWaalsContact OG1-CB 3.28Å; T142-D164 WeakPolarHBondContact OG1-CB 3.46Å
143	H	96	Very high	94.1	Very high	73 Å²	73	44.1 Å²	44.1	34%	0.338	25%	0.245	S	C	.	.	S	Bend	trans	-151.3	-171	177.2	-150.1	-34	0	0	0	109.9	V145 S162 L163 D164	H143-V145 PolarHBondContact O-N 2.72Å; H143-S162 PolarHBondContact O-OG 2.89Å; H143-L163 HydrophobicContact CB-CB 4.15Å; H143-D164 HydrophobicContact CB-CB 3.97Å
144	Y	96.2	Very high	93.9	Very high	78 Å²	78	44.8 Å²	44.8	31%	0.306	24%	0.244	S	C	.	.			trans	-62.9	132.9	-169.6	-56.8	-18.2	0	0	0	110	D119 M146 S162 L163	D119-Y144 HydrophobicContact CB-CD1 3.65Å; D119-Y144 HydrophobicContact CB-CE1 3.9Å; D119-Y144 HydrophobicContact CB-CG 3.99Å; D119-Y144 VanDerWaalsContact O-CD1 3.27Å; D119-Y144 WeakPolarHBondContact O-CD1 3.22Å; D119-Y144 WeakPolarHBondContact OD1-CB 3.16Å; Y144-M146 PolarHBondContact O-N 3.47Å; Y144-S162 WeakPolarHBondContact O-CA 3.47Å; Y144-S162 WeakPolarHBondContact O-CB 3.4Å; Y144-S162 PolarHBondContact O-OG 3.34Å; Y144-L163 HydrophobicContact CD2-CD1 3.69Å; Y144-L163 HydrophobicContact CG-CD1 4.23Å; Y144-L163 PolarHBondContact O-N 3.46Å
145	V	97.2	Very high	93.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.5	176.6	-173.4	0	0	0	0	107.6	R103 S118 I123 H141 H143 I148 A161	R103-V145 VanDerWaalsContact CB-O 3.24Å; R103-V145 WeakPolarHBondContact CB-O 3.46Å; R103-V145 WeakPolarHBondContact CG-O 3.32Å; S118-V145 PolarHBondContact O-N 3.21Å; I123-V145 HydrophobicContact CD1-CG1 3.97Å; I123-V145 HydrophobicContact CG1-CB 4.45Å; I123-V145 HydrophobicContact CG1-CG1 3.91Å; I123-V145 HydrophobicContact CG1-CG2 4.24Å; H141-V145 HydrophobicContact CB-CG2 4Å; H143-V145 PolarHBondContact O-N 2.72Å; V145-I148 HydrophobicContact CG1-CG2 4.18Å; V145-A161 CarbonylContact C-O 3.55Å
146	M	96.1	Very high	93.6	Very high	37 Å²	37	44.5 Å²	44.5	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-41.2	-168.5	-65.4	-63.5	-70.6	0	0	112.6	R103 Y144 A161 L163 N189	R103-M146 WeakPolarHBondContact CB-O 3.15Å; Y144-M146 PolarHBondContact O-N 3.47Å; M146-A161 PolarHBondContact N-O 3.4Å; M146-L163 HydrophobicContact CG-CD1 4.5Å; M146-L163 HydrophobicContact CG-CD2 3.75Å; M146-L163 HydrophobicContact CG-CG 3.72Å; M146-L163 HydrophobicContact SD-CD1 4.02Å; M146-L163 HydrophobicContact SD-CD2 4.14Å; M146-L163 HydrophobicContact SD-CG 3.9Å; M146-N189 VanDerWaalsContact CB-O 3.24Å; M146-N189 WeakPolarHBondContact CB-O 3.33Å
147	Q	96.1	Very high	93.6	Very high	49 Å²	49	44.8 Å²	44.8	23%	0.229	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.3	-178.6	-170.5	173.6	-5.4	0	0	111.4	C104 V149 S160 A161 I191	C104-Q147 HydrophobicContact CB-CG 4.47Å; Q147-V149 HydrophobicContact CG-CG2 4.24Å; Q147-S160 WeakPolarHBondContact O-CA 3.22Å; Q147-A161 PolarHBondContact O-N 3.23Å; Q147-I191 HydrophobicContact CB-CG2 4.27Å; Q147-I191 HydrophobicContact CG-CG2 4.29Å; Q147-I191 PolarHBondContact NE2-O 3.38Å; Q147-I191 VanDerWaalsContact NE2-O 3.15Å
148	I	96.9	Very high	93.7	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.6	173.9	47.7	166.6	0	0	0	109.6	C104 A106 L115 I123 V145 A159	C104-I148 HydrophobicContact CB-CG1 3.98Å; A106-I148 HydrophobicContact CB-CD1 3.89Å; A106-I148 HydrophobicContact CB-CG1 4.05Å; L115-I148 HydrophobicContact CB-CD1 3.53Å; L115-I148 WeakPolarHBondContact O-CD1 3.41Å; I123-I148 HydrophobicContact CD1-CG2 3.98Å; I123-I148 HydrophobicContact CG1-CG2 4.31Å; I123-I148 HydrophobicContact CG2-CG2 4.26Å; V145-I148 HydrophobicContact CG1-CG2 4.18Å; I148-A159 WeakPolarHBondContact CA-O 3.48Å
149	V	95.6	Very high	93.7	Very high	24 Å²	24	42.3 Å²	42.3	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.8	176.7	-178.6	0	0	0	0	109.7	Q147 F158 A159 I191 Y193	Q147-V149 HydrophobicContact CG-CG2 4.24Å; V149-F158 CarbonylContact O-C 3.58Å; V149-F158 WeakPolarHBondContact O-CA 3.48Å; V149-F158 WeakPolarHBondContact O-CB 3.5Å; V149-A159 PolarHBondContact N-O 3.01Å; V149-A159 PolarHBondContact O-N 3.04Å; V149-I191 HydrophobicContact CG2-CG2 4.25Å; V149-I191 WeakPolarHBondContact CG2-O 3.26Å; V149-Y193 HydrophobicContact CB-CD2 4.44Å; V149-Y193 HydrophobicContact CG1-CD2 4.09Å
150	I	94.9	Very high	93.9	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.6	175.6	-63.1	171.9	0	0	0	108.9	A106 H108 L115 P152 F158	A106-I150 HydrophobicContact CB-CD1 4.36Å; A106-I150 HydrophobicContact CB-CG1 4.29Å; H108-I150 HydrophobicContact CB-CD1 3.94Å; L115-I150 HydrophobicContact CD1-CD1 4.13Å; L115-I150 HydrophobicContact CD1-CG1 3.9Å; I150-P152 WeakPolarHBondContact O-CD 3.33Å; I150-F158 HydrophobicContact CG1-CB 4.14Å
151	N	92.9	Very high	94.1	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.174	C	C	.	.			trans	-65.7	120.3	177	178.2	-6.1	0	0	0	109.6	K153 D154 N155 Q157 Y193	N151-K153 PolarHBondContact O-N 3.46Å; N151-K153 PolarHBondContact OD1-N 3.44Å; N151-D154 WeakPolarHBondContact CB-O 3.3Å; N151-D154 CarbonylContact O-C 3.59Å; N151-D154 VanDerWaalsContact O-C 3.27Å; N151-D154 PolarHBondContact OD1-N 3.01Å; N151-N155 PolarHBondContact O-OD1 3.3Å; N151-Q157 HydrophobicContact CB-CB 4.15Å; N151-Q157 WeakPolarHBondContact CB-O 3.37Å; N151-Q157 PolarHBondContact N-O 2.86Å; N151-Y193 HydrophobicContact CB-CD1 4.2Å; N151-Y193 HydrophobicContact CB-CD2 4.17Å; N151-Y193 HydrophobicContact CB-CE1 3.91Å; N151-Y193 HydrophobicContact CB-CE2 3.86Å; N151-Y193 HydrophobicContact CB-CG 4.33Å
152	P	89	Confident	94.2	Very high	27 Å²	27	33.7 Å²	33.7	18%	0.175	17%	0.171	C	C	.	.	S	Bend	trans	-68	-21.2	-177.5	29.4	-38	0	0	0	114.1	I150 R281	I150-P152 WeakPolarHBondContact O-CD 3.33Å; P152-R281 VanDerWaalsContact CB-NH2 3.27Å
153	K	86.7	Confident	94.3	Very high	84 Å²	84	30.4 Å²	30.4	37%	0.365	15%	0.149	S	C	.	.	S	Bend	trans	-90.9	-36	-178.5	-60	-177.7	-175.6	-175.1	0	111.9	N151 Y194 G196 G197 K199	N151-K153 PolarHBondContact O-N 3.46Å; N151-K153 PolarHBondContact OD1-N 3.44Å; K153-Y194 WeakPolarHBondContact CE-O 3.5Å; K153-G196 WeakPolarHBondContact CE-O 3.35Å; K153-G196 PolarHBondContact NZ-O 3.29Å; K153-G197 WeakPolarHBondContact CE-O 3.4Å; K153-G197 PolarHBondContact NZ-O 2.84Å; K153-K199 PolarHBondContact NZ-O 2.9Å
154	D	88.8	Confident	94.2	Very high	59 Å²	59	28.1 Å²	28.1	32%	0.316	14%	0.139	S	C	.	.			trans	-130	97.2	174.8	179	8	0	0	0	109.5	N151 N156 Q157	N151-D154 WeakPolarHBondContact CB-O 3.3Å; N151-D154 CarbonylContact O-C 3.59Å; N151-D154 VanDerWaalsContact O-C 3.27Å; N151-D154 PolarHBondContact OD1-N 3.01Å; D154-N156 PolarHBondContact O-N 3.25Å; D154-N156 VanDerWaalsContact OD1-CB 3.24Å; D154-N156 WeakPolarHBondContact OD1-CB 3.29Å; D154-N156 PolarHBondContact OD1-N 3.22Å; D154-Q157 PolarHBondContact O-N 3.4Å; D154-Q157 PolarHBondContact OD2-NE2 2.95Å
155	N	89.6	Confident	94.2	Very high	46 Å²	46	31.4 Å²	31.4	25%	0.246	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.8	-176.5	-62.1	-30.4	0	0	0	113.4	H108 P109 N151 Q157	H108-N155 PolarHBondContact NE2-O 3.12Å; P109-N155 HydrophobicContact CG-CB 4.29Å; P109-N155 VanDerWaalsContact CG-CG 3.49Å; P109-N155 WeakPolarHBondContact CG-OD1 3.32Å; N151-N155 PolarHBondContact O-OD1 3.3Å; N155-Q157 VanDerWaalsContact C-N 3.28Å
156	N	91.9	Very high	94.1	Very high	59 Å²	59	32 Å²	32	32%	0.316	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.2	176.2	-160.9	28.1	0	0	0	113.1	D154 Q171 L172	D154-N156 PolarHBondContact O-N 3.25Å; D154-N156 VanDerWaalsContact OD1-CB 3.24Å; D154-N156 WeakPolarHBondContact OD1-CB 3.29Å; D154-N156 PolarHBondContact OD1-N 3.22Å; N156-Q171 PolarHBondContact ND2-NE2 3.34Å; N156-Q171 VanDerWaalsContact ND2-NE2 3.15Å; N156-Q171 WeakPolarHBondContact O-CA 3.23Å; N156-L172 PolarHBondContact O-N 3.17Å; N156-L172 WeakPolarHBondContact OD1-CB 3.25Å
157	Q	93.3	Very high	94.1	Very high	39 Å²	39	30.3 Å²	30.3	18%	0.182	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.2	179.9	-65.6	-179.6	46.9	0	0	111.5	N151 D154 N155 W170	N151-Q157 HydrophobicContact CB-CB 4.15Å; N151-Q157 WeakPolarHBondContact CB-O 3.37Å; N151-Q157 PolarHBondContact N-O 2.86Å; D154-Q157 PolarHBondContact O-N 3.4Å; D154-Q157 PolarHBondContact OD2-NE2 2.95Å; N155-Q157 VanDerWaalsContact C-N 3.28Å; Q157-W170 VanDerWaalsContact CA-O 3.29Å; Q157-W170 WeakPolarHBondContact CA-O 3.44Å
158	F	96	Very high	94.1	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.9	171.7	70.3	-87.6	0	0	0	110.7	L115 I123 F138 V149 I150 V169 W170 L172	L115-F158 HydrophobicContact CD1-CB 4.04Å; L115-F158 HydrophobicContact CD1-CD1 3.78Å; L115-F158 HydrophobicContact CD1-CD2 4.04Å; L115-F158 HydrophobicContact CD1-CE1 4.2Å; L115-F158 HydrophobicContact CD1-CE2 4.45Å; L115-F158 HydrophobicContact CD1-CG 3.69Å; L115-F158 HydrophobicContact CD2-CE1 4.25Å; L115-F158 HydrophobicContact CD2-CZ 4.26Å; I123-F158 HydrophobicContact CD1-CE2 4Å; I123-F158 HydrophobicContact CG2-CE2 4.04Å; I123-F158 HydrophobicContact CG2-CZ 4.33Å; F138-F158 HydrophobicContact CD1-CE1 4.28Å; F138-F158 AromaticContact CD1-CZ 3.9Å; F138-F158 HydrophobicContact CD1-CZ 3.9Å; F138-F158 HydrophobicContact CD2-CE1 4.35Å; F138-F158 AromaticContact CD2-CZ 3.71Å; F138-F158 HydrophobicContact CD2-CZ 3.71Å; F138-F158 AromaticContact CE1-CE1 3.74Å; F138-F158 HydrophobicContact CE1-CE1 3.74Å; F138-F158 AromaticContact CE1-CZ 3.83Å; F138-F158 HydrophobicContact CE1-CZ 3.83Å; F138-F158 AromaticContact CE2-CE1 3.85Å; F138-F158 HydrophobicContact CE2-CE1 3.85Å; F138-F158 AromaticContact CE2-CZ 3.66Å; F138-F158 HydrophobicContact CE2-CZ 3.66Å; F138-F158 AromaticContact CG-CZ 3.85Å; F138-F158 HydrophobicContact CG-CZ 3.85Å; F138-F158 AromaticContact CZ-CE1 3.53Å; F138-F158 HydrophobicContact CZ-CE1 3.53Å; F138-F158 AromaticContact CZ-CZ 3.74Å; F138-F158 HydrophobicContact CZ-CZ 3.74Å; V149-F158 CarbonylContact O-C 3.58Å; V149-F158 WeakPolarHBondContact O-CA 3.48Å; V149-F158 WeakPolarHBondContact O-CB 3.5Å; I150-F158 HydrophobicContact CG1-CB 4.14Å; F158-V169 WeakPolarHBondContact O-CA 3.42Å; F158-W170 HydrophobicContact CD1-CB 3.9Å; F158-W170 HydrophobicContact CD2-CB 4.2Å; F158-W170 AromaticContact CD2-CD1 3.82Å; F158-W170 HydrophobicContact CD2-CG 4.29Å; F158-W170 HydrophobicContact CE1-CB 3.4Å; F158-W170 HydrophobicContact CE1-CG 4.14Å; F158-W170 HydrophobicContact CE2-CB 3.72Å; F158-W170 AromaticContact CE2-CD1 3.32Å; F158-W170 HydrophobicContact CE2-CD2 4.49Å; F158-W170 AromaticContact CE2-CG 3.59Å; F158-W170 HydrophobicContact CE2-CG 3.59Å; F158-W170 HydrophobicContact CG-CB 4.27Å; F158-W170 HydrophobicContact CZ-CB 3.3Å; F158-W170 AromaticContact CZ-CD1 3.77Å; F158-W170 HydrophobicContact CZ-CD2 4.31Å; F158-W170 AromaticContact CZ-CG 3.52Å; F158-W170 HydrophobicContact CZ-CG 3.52Å; F158-W170 PolarHBondContact N-O 3.3Å; F158-W170 PolarHBondContact O-N 3.08Å; F158-L172 HydrophobicContact CD1-CD2 4.01Å; F158-L172 HydrophobicContact CE1-CD2 3.92Å
159	A	96.4	Very high	94	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	149.3	175.3	0	0	0	0	0	110.5	I148 V149 K168 V169 I191 Y193 L202	I148-A159 WeakPolarHBondContact CA-O 3.48Å; V149-A159 PolarHBondContact N-O 3.01Å; V149-A159 PolarHBondContact O-N 3.04Å; A159-K168 CarbonylContact C-O 3.58Å; A159-K168 WeakPolarHBondContact CA-O 3.36Å; A159-V169 HydrophobicContact CB-CG2 4.15Å; A159-I191 HydrophobicContact CB-CD1 3.56Å; A159-I191 HydrophobicContact CB-CG1 4.34Å; A159-Y193 HydrophobicContact CB-CE2 3.57Å; A159-L202 HydrophobicContact CB-CD1 4.49Å; A159-L202 HydrophobicContact CB-CD2 4.29Å
160	S	96.9	Very high	94	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.8	173.1	59.2	0	0	0	0	111	H141 Q147 I167 K168 W170	H141-S160 PolarHBondContact CD2-OG 3.07Å; H141-S160 PolarHBondContact NE2-OG 2.9Å; Q147-S160 WeakPolarHBondContact O-CA 3.22Å; S160-I167 VanDerWaalsContact O-CA 3.3Å; S160-I167 WeakPolarHBondContact O-CA 3.32Å; S160-K168 PolarHBondContact N-O 3.44Å; S160-K168 PolarHBondContact O-N 2.93Å; S160-K168 PolarHBondContact OG-O 3.11Å; S160-W170 PolarHBondContact OG-NE1 3.43Å
161	A	96.5	Very high	94	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.3	171.7	0	0	0	0	0	109.8	V145 M146 Q147 V188 I191	V145-A161 CarbonylContact C-O 3.55Å; M146-A161 PolarHBondContact N-O 3.4Å; Q147-A161 PolarHBondContact O-N 3.23Å; A161-V188 HydrophobicContact CB-CB 4.04Å; A161-V188 HydrophobicContact CB-CG1 3.64Å; A161-I191 HydrophobicContact CB-CB 3.97Å; A161-I191 HydrophobicContact CB-CG2 3.83Å
162	S	96.9	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.9	179.9	178	0	0	0	0	112.7	H141 H143 Y144 D164 R165 T166 V188	H141-S162 WeakPolarHBondContact CE1-CB 3.27Å; H141-S162 WeakPolarHBondContact ND1-CB 3.36Å; H143-S162 PolarHBondContact O-OG 2.89Å; Y144-S162 WeakPolarHBondContact O-CA 3.47Å; Y144-S162 WeakPolarHBondContact O-CB 3.4Å; Y144-S162 PolarHBondContact O-OG 3.34Å; S162-D164 WeakPolarHBondContact CB-OD1 3.39Å; S162-D164 PolarHBondContact O-N 2.94Å; S162-D164 PolarHBondContact OG-N 2.9Å; S162-R165 PolarHBondContact O-N 3.02Å; S162-T166 PolarHBondContact N-O 3.48Å; S162-V188 CarbonylContact C-O 3.52Å; S162-V188 PolarHBondContact O-N 3.04Å
163	L	96.1	Very high	93.9	Very high	37 Å²	37	33.1 Å²	33.1	19%	0.194	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7	170.9	-62.7	-174.6	0	0	0	113.5	H143 Y144 M146 R165	H143-L163 HydrophobicContact CB-CB 4.15Å; Y144-L163 HydrophobicContact CD2-CD1 3.69Å; Y144-L163 HydrophobicContact CG-CD1 4.23Å; Y144-L163 PolarHBondContact O-N 3.46Å; M146-L163 HydrophobicContact CG-CD1 4.5Å; M146-L163 HydrophobicContact CG-CD2 3.75Å; M146-L163 HydrophobicContact CG-CG 3.72Å; M146-L163 HydrophobicContact SD-CD1 4.02Å; M146-L163 HydrophobicContact SD-CD2 4.14Å; M146-L163 HydrophobicContact SD-CG 3.9Å; L163-R165 PolarHBondContact O-N 3.48Å; L163-R165 VanDerWaalsContact O-N 3.14Å
164	D	94.4	Very high	94.1	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.134	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	6.3	170.2	70.9	11.4	0	0	0	114	H141 T142 H143 S162 T166	H141-D164 WeakPolarHBondContact CA-OD2 3.48Å; H141-D164 IonicContact CE1-OD1 3.47Å; H141-D164 IonicContact CE1-OD2 3.02Å; H141-D164 IonicContact CG-OD2 2.64Å; H141-D164 IonicContact ND1-OD1 3.52Å; H141-D164 PolarHBondContact ND1-OD1 3.4Å; H141-D164 IonicContact ND1-OD2 3.44Å; H141-D164 PolarHBondContact ND1-OD2 3.33Å; T142-D164 PolarHBondContact N-OD2 3.29Å; T142-D164 VanDerWaalsContact N-OD2 3.11Å; T142-D164 VanDerWaalsContact OG1-CB 3.28Å; T142-D164 WeakPolarHBondContact OG1-CB 3.46Å; H143-D164 HydrophobicContact CB-CB 3.97Å; S162-D164 WeakPolarHBondContact CB-OD1 3.39Å; S162-D164 PolarHBondContact O-N 2.94Å; S162-D164 PolarHBondContact OG-N 2.9Å; D164-T166 VanDerWaalsContact CG-OG1 3.28Å; D164-T166 PolarHBondContact O-N 3.03Å; D164-T166 WeakPolarHBondContact OD1-CA 3.44Å; D164-T166 VanDerWaalsContact OD1-CB 3.27Å; D164-T166 WeakPolarHBondContact OD1-CB 3.48Å; D164-T166 PolarHBondContact OD1-N 3.09Å; D164-T166 PolarHBondContact OD1-OG1 2.96Å; D164-T166 PolarHBondContact OD2-OG1 3.28Å
165	R	95.3	Very high	94	Very high	146 Å²	146	31.8 Å²	31.8	55%	0.551	18%	0.18	S	C	*	.	S	Bend	trans	74	5.9	179.7	-43.6	173.3	-171.8	175.5	-0.8	113.8	S162 L163 E185	S162-R165 PolarHBondContact O-N 3.02Å; L163-R165 PolarHBondContact O-N 3.48Å; L163-R165 VanDerWaalsContact O-N 3.14Å; R165-E185 WeakPolarHBondContact CD-O 3.45Å; R165-E185 PolarHBondContact NE-O 2.95Å
166	T	95.3	Very high	94	Very high	12 Å²	12	32.8 Å²	32.8	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	152.3	-177	79.9	0	0	0	0	111.9	H141 S162 D164 T180 L181 E182	H141-T166 PolarHBondContact CE1-OG1 3.27Å; H141-T166 PolarHBondContact ND1-OG1 3.43Å; S162-T166 PolarHBondContact N-O 3.48Å; D164-T166 VanDerWaalsContact CG-OG1 3.28Å; D164-T166 PolarHBondContact O-N 3.03Å; D164-T166 WeakPolarHBondContact OD1-CA 3.44Å; D164-T166 VanDerWaalsContact OD1-CB 3.27Å; D164-T166 WeakPolarHBondContact OD1-CB 3.48Å; D164-T166 PolarHBondContact OD1-N 3.09Å; D164-T166 PolarHBondContact OD1-OG1 2.96Å; D164-T166 PolarHBondContact OD2-OG1 3.28Å; T166-T180 HydrophobicContact CG2-CG2 3.97Å; T166-L181 WeakPolarHBondContact CA-O 3.47Å; T166-E182 HydrophobicContact CG2-CG 3.97Å
167	I	96.7	Very high	94.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	165.9	-65	159.7	0	0	0	106.8	S160 T180 L181 V188 I191 S204	S160-I167 VanDerWaalsContact O-CA 3.3Å; S160-I167 WeakPolarHBondContact O-CA 3.32Å; I167-T180 CarbonylContact O-C 3.59Å; I167-T180 WeakPolarHBondContact O-CA 3.29Å; I167-L181 HydrophobicContact CB-CB 4.2Å; I167-L181 HydrophobicContact CG2-CD1 4.32Å; I167-L181 PolarHBondContact N-O 3.41Å; I167-L181 PolarHBondContact O-N 3.5Å; I167-V188 HydrophobicContact CD1-CG1 4.45Å; I167-V188 HydrophobicContact CG1-CG1 4.22Å; I167-V188 HydrophobicContact CG1-CG2 4.38Å; I167-I191 HydrophobicContact CB-CD1 4.26Å; I167-I191 HydrophobicContact CD1-CD1 4.28Å; I167-I191 HydrophobicContact CG1-CD1 4.13Å; I167-I191 HydrophobicContact CG2-CD1 3.2Å; I167-S204 VanDerWaalsContact CD1-CB 3.43Å
168	K	96.1	Very high	94.1	Very high	24 Å²	24	33 Å²	33	10%	0.104	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.1	177.7	-68.2	179	-170.5	-75.8	0	109.6	G140 A159 S160 W170 P177 T180	G140-K168 VanDerWaalsContact O-CE 3.22Å; G140-K168 WeakPolarHBondContact O-CE 3.49Å; A159-K168 CarbonylContact C-O 3.58Å; A159-K168 WeakPolarHBondContact CA-O 3.36Å; S160-K168 PolarHBondContact N-O 3.44Å; S160-K168 PolarHBondContact O-N 2.93Å; S160-K168 PolarHBondContact OG-O 3.11Å; K168-W170 HydrophobicContact CB-CZ2 3.82Å; K168-W170 HydrophobicContact CD-CH2 4.26Å; K168-W170 HydrophobicContact CD-CZ2 3.7Å; K168-W170 HydrophobicContact CG-CZ2 4.4Å; K168-W170 PolarHBondContact O-NE1 3.12Å; K168-P177 HydrophobicContact CB-CB 4.16Å; K168-P177 HydrophobicContact CD-CB 4.42Å; K168-P177 HydrophobicContact CD-CG 4.35Å; K168-P177 HydrophobicContact CG-CB 4.47Å; K168-T180 HydrophobicContact CG-CG2 4.01Å; K168-T180 PolarHBondContact NZ-OG1 3.34Å
169	V	96	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.1	172.3	-179.9	0	0	0	0	108.2	F158 A159 P177 N178 F179 L202	F158-V169 WeakPolarHBondContact O-CA 3.42Å; A159-V169 HydrophobicContact CB-CG2 4.15Å; V169-P177 CarbonylContact O-C 3.56Å; V169-N178 PolarHBondContact O-N 2.9Å; V169-F179 HydrophobicContact CB-CD1 4.43Å; V169-F179 HydrophobicContact CB-CD2 4.36Å; V169-F179 HydrophobicContact CB-CE1 3.92Å; V169-F179 HydrophobicContact CB-CE2 3.84Å; V169-F179 HydrophobicContact CB-CZ 3.59Å; V169-F179 HydrophobicContact CG1-CE1 4.06Å; V169-F179 HydrophobicContact CG1-CZ 3.92Å; V169-F179 HydrophobicContact CG2-CD2 4.28Å; V169-F179 HydrophobicContact CG2-CE1 4.35Å; V169-F179 HydrophobicContact CG2-CE2 3.48Å; V169-F179 VanDerWaalsContact CG2-CE2 3.48Å; V169-F179 HydrophobicContact CG2-CZ 3.51Å; V169-F179 PolarHBondContact N-O 3.42Å; V169-F179 VanDerWaalsContact N-O 3.08Å; V169-L202 HydrophobicContact CG2-CD1 4.08Å
170	W	95.6	Very high	93.9	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	162	-173.5	-52.1	85.5	0	0	0	110	I123 F138 Q157 F158 S160 K168 P177	I123-W170 HydrophobicContact CD1-CZ2 4.49Å; F138-W170 HydrophobicContact CB-CD2 4.25Å; F138-W170 HydrophobicContact CB-CE3 3.83Å; F138-W170 HydrophobicContact CB-CH2 4.16Å; F138-W170 HydrophobicContact CB-CZ3 3.77Å; F138-W170 HydrophobicContact CD1-CB 4.41Å; F138-W170 HydrophobicContact CD1-CD2 4.23Å; F138-W170 AromaticContact CD1-CE3 3.71Å; F138-W170 HydrophobicContact CD1-CE3 3.71Å; F138-W170 HydrophobicContact CD1-CZ3 4.35Å; F138-W170 HydrophobicContact CG-CE3 4.18Å; Q157-W170 VanDerWaalsContact CA-O 3.29Å; Q157-W170 WeakPolarHBondContact CA-O 3.44Å; F158-W170 HydrophobicContact CD1-CB 3.9Å; F158-W170 HydrophobicContact CD2-CB 4.2Å; F158-W170 AromaticContact CD2-CD1 3.82Å; F158-W170 HydrophobicContact CD2-CG 4.29Å; F158-W170 HydrophobicContact CE1-CB 3.4Å; F158-W170 HydrophobicContact CE1-CG 4.14Å; F158-W170 HydrophobicContact CE2-CB 3.72Å; F158-W170 AromaticContact CE2-CD1 3.32Å; F158-W170 HydrophobicContact CE2-CD2 4.49Å; F158-W170 AromaticContact CE2-CG 3.59Å; F158-W170 HydrophobicContact CE2-CG 3.59Å; F158-W170 HydrophobicContact CG-CB 4.27Å; F158-W170 HydrophobicContact CZ-CB 3.3Å; F158-W170 AromaticContact CZ-CD1 3.77Å; F158-W170 HydrophobicContact CZ-CD2 4.31Å; F158-W170 AromaticContact CZ-CG 3.52Å; F158-W170 HydrophobicContact CZ-CG 3.52Å; F158-W170 PolarHBondContact N-O 3.3Å; F158-W170 PolarHBondContact O-N 3.08Å; S160-W170 PolarHBondContact OG-NE1 3.43Å; K168-W170 HydrophobicContact CB-CZ2 3.82Å; K168-W170 HydrophobicContact CD-CH2 4.26Å; K168-W170 HydrophobicContact CD-CZ2 3.7Å; K168-W170 HydrophobicContact CG-CZ2 4.4Å; K168-W170 PolarHBondContact O-NE1 3.12Å; W170-P177 HydrophobicContact CD2-CB 3.99Å; W170-P177 HydrophobicContact CE3-CB 3.8Å; W170-P177 HydrophobicContact CE3-CG 4.49Å; W170-P177 HydrophobicContact CH2-CB 4.1Å; W170-P177 HydrophobicContact CH2-CG 4.19Å; W170-P177 HydrophobicContact CZ2-CB 4.26Å; W170-P177 HydrophobicContact CZ3-CB 3.87Å; W170-P177 VanDerWaalsContact CZ3-CD 3.48Å; W170-P177 HydrophobicContact CZ3-CG 4.09Å
171	Q	94.3	Very high	93.8	Very high	68 Å²	68	37 Å²	37	32%	0.318	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.2	172.4	-175.9	167.9	15.5	0	0	109.2	N156 G173 S174	N156-Q171 PolarHBondContact ND2-NE2 3.34Å; N156-Q171 VanDerWaalsContact ND2-NE2 3.15Å; N156-Q171 WeakPolarHBondContact O-CA 3.23Å; Q171-G173 PolarHBondContact O-N 3.29Å; Q171-S174 PolarHBondContact O-N 3.23Å; Q171-S174 VanDerWaalsContact O-N 3.09Å
172	L	92	Very high	93.6	Very high	22 Å²	22	43.8 Å²	43.8	12%	0.115	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	132.2	175.6	-55.7	172.9	0	0	0	109	F113 L115 L125 F138 N156 F158	F113-L172 HydrophobicContact CD2-CD1 4.34Å; L115-L172 HydrophobicContact CD2-CD2 4.44Å; L125-L172 HydrophobicContact CD1-CD2 3.93Å; L125-L172 HydrophobicContact CD2-CD2 4.13Å; F138-L172 HydrophobicContact CZ-CD2 4.07Å; N156-L172 PolarHBondContact O-N 3.17Å; N156-L172 WeakPolarHBondContact OD1-CB 3.25Å; F158-L172 HydrophobicContact CD1-CD2 4.01Å; F158-L172 HydrophobicContact CE1-CD2 3.92Å
173	G	87.9	Confident	93.1	Very high	70 Å²	70	45.9 Å²	45.9	72%	0.722	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-12.9	-173.7	0	0	0	0	0	115.4	Q171	Q171-G173 PolarHBondContact O-N 3.29Å
174	S	91	Very high	92.9	Very high	30 Å²	30	44.6 Å²	44.6	21%	0.21	26%	0.263	C	S	.	.			trans	-105.1	127.3	172.3	176.5	0	0	0	0	111	Q136 F138 Q171 S176	Q136-S174 PolarHBondContact NE2-O 3.16Å; F138-S174 WeakPolarHBondContact CE1-O 3.45Å; Q171-S174 PolarHBondContact O-N 3.23Å; Q171-S174 VanDerWaalsContact O-N 3.09Å; S174-S176 VanDerWaalsContact C-N 3.32Å; S174-S176 PolarHBondContact OG-N 3.36Å; S174-S176 PolarHBondContact OG-O 2.86Å; S174-S176 PolarHBondContact OG-OG 2.91Å
175	S	86.5	Confident	92.9	Very high	86 Å²	86	50.7 Å²	50.7	60%	0.601	29%	0.29	S	S	*	.	S	Bend	trans	-77.7	-17.2	176.6	58.9	0	0	0	0	113.4
176	S	89.6	Confident	92.8	Very high	67 Å²	67	48.6 Å²	48.6	47%	0.469	29%	0.285	S	S	.	.	S	Bend	trans	-101.3	146.7	176.2	56.2	0	0	0	0	111.8	S174	S174-S176 VanDerWaalsContact C-N 3.32Å; S174-S176 PolarHBondContact OG-N 3.36Å; S174-S176 PolarHBondContact OG-O 2.86Å; S174-S176 PolarHBondContact OG-OG 2.91Å
177	P	93.8	Very high	92.7	Very high	36 Å²	36	48.4 Å²	48.4	23%	0.234	29%	0.286	C	S	.	.			trans	-67.7	143.2	174.8	29.8	-33.9	0	0	0	110.5	K168 V169 W170	K168-P177 HydrophobicContact CB-CB 4.16Å; K168-P177 HydrophobicContact CD-CB 4.42Å; K168-P177 HydrophobicContact CD-CG 4.35Å; K168-P177 HydrophobicContact CG-CB 4.47Å; V169-P177 CarbonylContact O-C 3.56Å; W170-P177 HydrophobicContact CD2-CB 3.99Å; W170-P177 HydrophobicContact CE3-CB 3.8Å; W170-P177 HydrophobicContact CE3-CG 4.49Å; W170-P177 HydrophobicContact CH2-CB 4.1Å; W170-P177 HydrophobicContact CH2-CG 4.19Å; W170-P177 HydrophobicContact CZ2-CB 4.26Å; W170-P177 HydrophobicContact CZ3-CB 3.87Å; W170-P177 VanDerWaalsContact CZ3-CD 3.48Å; W170-P177 HydrophobicContact CZ3-CG 4.09Å
178	N	93.2	Very high	92.7	Very high	66 Å²	66	48.3 Å²	48.3	35%	0.353	29%	0.285	S	S	.	.	S	Bend	trans	-65.7	-42.6	177.4	-73.9	-1.3	0	0	0	111.2	V169	V169-N178 PolarHBondContact O-N 2.9Å
179	F	93.8	Very high	92.7	Very high	33 Å²	33	48.1 Å²	48.1	15%	0.145	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	163.8	172.5	54.8	-89	0	0	0	110.9	V169 L181 Y216 K219	V169-F179 HydrophobicContact CB-CD1 4.43Å; V169-F179 HydrophobicContact CB-CD2 4.36Å; V169-F179 HydrophobicContact CB-CE1 3.92Å; V169-F179 HydrophobicContact CB-CE2 3.84Å; V169-F179 HydrophobicContact CB-CZ 3.59Å; V169-F179 HydrophobicContact CG1-CE1 4.06Å; V169-F179 HydrophobicContact CG1-CZ 3.92Å; V169-F179 HydrophobicContact CG2-CD2 4.28Å; V169-F179 HydrophobicContact CG2-CE1 4.35Å; V169-F179 HydrophobicContact CG2-CE2 3.48Å; V169-F179 VanDerWaalsContact CG2-CE2 3.48Å; V169-F179 HydrophobicContact CG2-CZ 3.51Å; V169-F179 PolarHBondContact N-O 3.42Å; V169-F179 VanDerWaalsContact N-O 3.08Å; F179-L181 HydrophobicContact CD2-CD2 4.09Å; F179-L181 HydrophobicContact CD2-CG 4.17Å; F179-L181 HydrophobicContact CE2-CD1 4.34Å; F179-L181 HydrophobicContact CE2-CD2 4.17Å; F179-L181 HydrophobicContact CE2-CG 4.15Å; F179-Y216 HydrophobicContact CZ-CD2 4.31Å; F179-Y216 HydrophobicContact CZ-CG 4.5Å; F179-Y216 WeakPolarHBondContact CZ-O 3.46Å; F179-K219 HydrophobicContact CB-CD 4.4Å; F179-K219 HydrophobicContact CD2-CG 4.39Å; F179-K219 HydrophobicContact CG-CD 4.48Å
180	T	94.6	Very high	92.7	Very high	47 Å²	47	48.1 Å²	48.1	29%	0.288	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.3	175.9	-56.5	0	0	0	0	108.7	T166 I167 K168 E182	T166-T180 HydrophobicContact CG2-CG2 3.97Å; I167-T180 CarbonylContact O-C 3.59Å; I167-T180 WeakPolarHBondContact O-CA 3.29Å; K168-T180 HydrophobicContact CG-CG2 4.01Å; K168-T180 PolarHBondContact NZ-OG1 3.34Å; T180-E182 HydrophobicContact CG2-CG 4.08Å
181	L	93.9	Very high	92.7	Very high	4 Å²	4	48 Å²	48	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132	171.8	-55.7	171	0	0	0	108.7	T166 I167 F179 L202 W214 K219	T166-L181 WeakPolarHBondContact CA-O 3.47Å; I167-L181 HydrophobicContact CB-CB 4.2Å; I167-L181 HydrophobicContact CG2-CD1 4.32Å; I167-L181 PolarHBondContact N-O 3.41Å; I167-L181 PolarHBondContact O-N 3.5Å; F179-L181 HydrophobicContact CD2-CD2 4.09Å; F179-L181 HydrophobicContact CD2-CG 4.17Å; F179-L181 HydrophobicContact CE2-CD1 4.34Å; F179-L181 HydrophobicContact CE2-CD2 4.17Å; F179-L181 HydrophobicContact CE2-CG 4.15Å; L181-L202 HydrophobicContact CD1-CD1 4.16Å; L181-W214 HydrophobicContact CB-CE3 4.3Å; L181-W214 HydrophobicContact CB-CZ3 4.48Å; L181-W214 HydrophobicContact CD1-CB 3.96Å; L181-W214 HydrophobicContact CD1-CD2 4.31Å; L181-W214 HydrophobicContact CD1-CE3 4.46Å; L181-W214 HydrophobicContact CD1-CG 4.1Å; L181-K219 HydrophobicContact CD2-CB 3.78Å; L181-K219 HydrophobicContact CD2-CG 4.24Å
182	E	92.1	Very high	92.8	Very high	144 Å²	144	46.2 Å²	46.2	67%	0.673	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.2	-177.8	-59.6	-175.6	176.9	0	0	109.7	T166 T180	T166-E182 HydrophobicContact CG2-CG 3.97Å; T180-E182 HydrophobicContact CG2-CG 4.08Å
183	G	86.8	Confident	92.9	Very high	43 Å²	43	45.3 Å²	45.3	44%	0.443	27%	0.272	S	S	.	.			trans	159.1	-1.4	173.4	0	0	0	0	0	116.2	K212	G183-K212 WeakPolarHBondContact O-CE 3.35Å
184	H	92.8	Very high	93	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.046	24%	0.242	C	C	.	.			trans	-79.3	144.3	162	-79.3	-73.6	0	0	0	110.5	K186 V188 S204 A206 D208	H184-K186 WeakPolarHBondContact CB-O 3.33Å; H184-V188 HydrophobicContact CB-CG2 4.15Å; H184-S204 PolarHBondContact NE2-OG 3.04Å; H184-A206 HydrophobicContact CB-CB 4.21Å; H184-A206 VanDerWaalsContact ND1-CB 3.33Å; H184-A206 WeakPolarHBondContact ND1-CB 3.49Å; H184-D208 IonicContact CE1-OD1 3.81Å; H184-D208 IonicContact CE1-OD2 3.95Å; H184-D208 IonicContact CG-OD2 3.15Å; H184-D208 IonicContact ND1-OD1 3.08Å; H184-D208 PolarHBondContact ND1-OD1 2.88Å; H184-D208 IonicContact ND1-OD2 3.39Å; H184-D208 PolarHBondContact ND1-OD2 3.14Å
185	E	92.8	Very high	92.5	Very high	153 Å²	153	43.4 Å²	43.4	72%	0.715	24%	0.244	S	C	*	.	S	Bend	trans	-82.9	-23.1	179.6	-65.8	-171.8	170.5	0	0	112.4	R165 D208	R165-E185 WeakPolarHBondContact CD-O 3.45Å; R165-E185 PolarHBondContact NE-O 2.95Å; E185-D208 HydrophobicContact CB-CB 4.49Å; E185-D208 PolarHBondContact N-OD2 3.33Å
186	K	94.9	Very high	91.8	Very high	103 Å²	103	39.3 Å²	39.3	45%	0.448	22%	0.216	S	C	.	.	S	Bend	trans	-125.1	179.3	177.5	-66	-177.3	-178.1	175.7	0	111.1	H184 D207 D208	H184-K186 WeakPolarHBondContact CB-O 3.33Å; K186-D207 HydrophobicContact CB-CB 3.86Å; K186-D207 HydrophobicContact CD-CB 3.85Å; K186-D207 VanDerWaalsContact CD-O 3.29Å; K186-D207 WeakPolarHBondContact CD-O 3.3Å; K186-D207 PolarHBondContact NZ-O 3.02Å; K186-D208 HydrophobicContact CB-CB 4.27Å; K186-D208 HydrophobicContact CD-CB 4.5Å; K186-D208 HydrophobicContact CG-CB 4.4Å
187	G	93.2	Very high	90.8	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	21%	0.212	C	C	.	.			trans	-60.3	142.8	-177.2	0	0	0	0	0	113.2	A206 D207	G187-A206 WeakPolarHBondContact O-CA 3.3Å; G187-A206 WeakPolarHBondContact O-CB 3.43Å; G187-D207 PolarHBondContact O-N 3Å; G187-D207 VanDerWaalsContact O-N 3.15Å
188	V	97	Very high	89.7	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.1	178.1	-169.9	0	0	0	0	108.6	A161 S162 I167 H184	A161-V188 HydrophobicContact CB-CB 4.04Å; A161-V188 HydrophobicContact CB-CG1 3.64Å; S162-V188 CarbonylContact C-O 3.52Å; S162-V188 PolarHBondContact O-N 3.04Å; I167-V188 HydrophobicContact CD1-CG1 4.45Å; I167-V188 HydrophobicContact CG1-CG1 4.22Å; I167-V188 HydrophobicContact CG1-CG2 4.38Å; H184-V188 HydrophobicContact CB-CG2 4.15Å
189	N	96.1	Very high	89.2	Confident	19 Å²	19	43.7 Å²	43.7	10%	0.102	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-39.1	-177	-68.1	-39	0	0	0	112.2	M146 G205 D207 V232	M146-N189 VanDerWaalsContact CB-O 3.24Å; M146-N189 WeakPolarHBondContact CB-O 3.33Å; N189-G205 PolarHBondContact N-O 3.13Å; N189-D207 PolarHBondContact ND2-OD1 2.87Å; N189-V232 PolarHBondContact ND2-O 3.01Å
190	C	94.9	Very high	89	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.3	-170.6	58.3	0	0	0	0	112.5	S204 G205 S233 C234 A235	C190-S204 VanDerWaalsContact O-CA 3.27Å; C190-S204 WeakPolarHBondContact O-CA 3.41Å; C190-G205 PolarHBondContact N-O 2.76Å; C190-G205 PolarHBondContact O-N 3.37Å; C190-G205 VanDerWaalsContact O-N 3.13Å; C190-G205 WeakPolarHBondContact SG-CA 3.4Å; C190-G205 PolarHBondContact SG-N 3.16Å; C190-G205 VanDerWaalsContact SG-N 3.4Å; C190-S233 WeakPolarHBondContact CB-O 3.2Å; C190-C234 WeakPolarHBondContact SG-CA 3.5Å; C190-A235 PolarHBondContact SG-N 2.86Å
191	I	96.4	Very high	88.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.1	177.5	-174.1	157.9	0	0	0	110.2	Q147 V149 A159 A161 I167 L202 I203	Q147-I191 HydrophobicContact CB-CG2 4.27Å; Q147-I191 HydrophobicContact CG-CG2 4.29Å; Q147-I191 PolarHBondContact NE2-O 3.38Å; Q147-I191 VanDerWaalsContact NE2-O 3.15Å; V149-I191 HydrophobicContact CG2-CG2 4.25Å; V149-I191 WeakPolarHBondContact CG2-O 3.26Å; A159-I191 HydrophobicContact CB-CD1 3.56Å; A159-I191 HydrophobicContact CB-CG1 4.34Å; A161-I191 HydrophobicContact CB-CB 3.97Å; A161-I191 HydrophobicContact CB-CG2 3.83Å; I167-I191 HydrophobicContact CB-CD1 4.26Å; I167-I191 HydrophobicContact CD1-CD1 4.28Å; I167-I191 HydrophobicContact CG1-CD1 4.13Å; I167-I191 HydrophobicContact CG2-CD1 3.2Å; I191-L202 HydrophobicContact CD1-CD1 4.47Å; I191-L202 HydrophobicContact CD1-CD2 4.09Å; I191-L202 HydrophobicContact CG1-CD2 4.04Å; I191-I203 CarbonylContact C-O 3.59Å; I191-I203 VanDerWaalsContact CA-O 3.24Å; I191-I203 WeakPolarHBondContact CA-O 3.44Å
192	D	95.5	Very high	89	Confident	29 Å²	29	42.7 Å²	42.7	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.7	170.7	-164.4	17.5	0	0	0	111.4	L202 I203 S236 F237	D192-L202 WeakPolarHBondContact O-CA 3.49Å; D192-L202 WeakPolarHBondContact O-CD2 3.49Å; D192-I203 HydrophobicContact CB-CG2 3.78Å; D192-I203 PolarHBondContact N-O 3.42Å; D192-I203 PolarHBondContact O-N 3.11Å; D192-S236 WeakPolarHBondContact OD2-CA 3.46Å; D192-S236 VanDerWaalsContact OD2-CB 3.29Å; D192-S236 WeakPolarHBondContact OD2-CB 3.27Å; D192-S236 PolarHBondContact OD2-OG 3.35Å; D192-F237 PolarHBondContact OD2-N 3.08Å
193	Y	93.4	Very high	89.2	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.8	175.8	-85.8	-84.2	0	0	0	111	V149 N151 A159 S195 L202 Y216	V149-Y193 HydrophobicContact CB-CD2 4.44Å; V149-Y193 HydrophobicContact CG1-CD2 4.09Å; N151-Y193 HydrophobicContact CB-CD1 4.2Å; N151-Y193 HydrophobicContact CB-CD2 4.17Å; N151-Y193 HydrophobicContact CB-CE1 3.91Å; N151-Y193 HydrophobicContact CB-CE2 3.86Å; N151-Y193 HydrophobicContact CB-CG 4.33Å; A159-Y193 HydrophobicContact CB-CE2 3.57Å; Y193-S195 PolarHBondContact O-N 3.48Å; Y193-L202 HydrophobicContact CD1-CD2 3.39Å; Y193-L202 HydrophobicContact CD1-CG 3.96Å; Y193-L202 HydrophobicContact CD2-CD2 3.7Å; Y193-L202 HydrophobicContact CE1-CD1 4.2Å; Y193-L202 HydrophobicContact CE1-CD2 3.42Å; Y193-L202 VanDerWaalsContact CE1-CD2 3.42Å; Y193-L202 HydrophobicContact CE1-CG 3.78Å; Y193-L202 HydrophobicContact CE2-CD2 3.74Å; Y193-L202 HydrophobicContact CG-CD2 3.54Å; Y193-Y216 HydrophobicContact CD1-CE1 4.24Å; Y193-Y216 HydrophobicContact CE1-CD1 4.12Å; Y193-Y216 HydrophobicContact CE1-CE1 4.03Å
194	Y	90.3	Very high	89.6	Confident	23 Å²	23	33.8 Å²	33.8	9%	0.09	18%	0.176	C	C	.	.			trans	-70.3	118	168.3	-176.5	-120.4	0	0	0	110.4	K153 G196 K199 Y201 F237	K153-Y194 WeakPolarHBondContact CE-O 3.5Å; Y194-G196 WeakPolarHBondContact CD1-O 3.37Å; Y194-G196 WeakPolarHBondContact CE1-O 3.4Å; Y194-K199 HydrophobicContact CD1-CB 3.83Å; Y194-K199 HydrophobicContact CE1-CB 3.83Å; Y194-K199 HydrophobicContact CE1-CD 4.22Å; Y194-K199 HydrophobicContact CE1-CG 4.36Å; Y194-Y201 WeakPolarHBondContact CB-O 3.39Å; Y194-Y201 PolarHBondContact N-O 3.25Å; Y194-F237 HydrophobicContact CD2-CB 4.1Å; Y194-F237 AromaticContact CD2-CD1 3.63Å; Y194-F237 HydrophobicContact CD2-CD1 3.63Å; Y194-F237 HydrophobicContact CD2-CD2 4.33Å; Y194-F237 HydrophobicContact CD2-CE1 4.07Å; Y194-F237 AromaticContact CD2-CG 3.77Å; Y194-F237 HydrophobicContact CD2-CG 3.77Å; Y194-F237 HydrophobicContact CE2-CD1 4.35Å; Y194-F237 HydrophobicContact CG-CD1 4.49Å; Y194-F237 HydrophobicContact CG-CG 4.48Å
195	S	81.8	Confident	89.8	Confident	36 Å²	36	33.3 Å²	33.3	25%	0.252	17%	0.174	S	C	.	.			trans	-88.6	-14.8	-179.2	57.6	0	0	0	0	114.3	Y193 P239	Y193-S195 PolarHBondContact O-N 3.48Å; S195-P239 VanDerWaalsContact OG-CA 3.29Å; S195-P239 WeakPolarHBondContact OG-CA 3.45Å
196	G	70.7	Confident	89.9	Confident	1 Å²	1	26 Å²	26	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	-86.1	161.3	-178.9	0	0	0	0	0	113.9	K153 Y194	K153-G196 WeakPolarHBondContact CE-O 3.35Å; K153-G196 PolarHBondContact NZ-O 3.29Å; Y194-G196 WeakPolarHBondContact CD1-O 3.37Å; Y194-G196 WeakPolarHBondContact CE1-O 3.4Å
197	G	69.1	Low	90	Very high	36 Å²	36	22.9 Å²	22.9	37%	0.371	13%	0.128	S	C	.	.	S	Bend	trans	42.2	-154.5	168.1	0	0	0	0	0	117.3	K153	K153-G197 WeakPolarHBondContact CE-O 3.4Å; K153-G197 PolarHBondContact NZ-O 2.84Å
198	D	69.8	Low	90	Very high	144 Å²	144	23.6 Å²	23.6	77%	0.77	13%	0.13	S	C	*	.	S	Bend	trans	-95.5	-0.7	178.7	-158.9	20.4	0	0	0	113.8	P200	D198-P200 WeakPolarHBondContact O-CD 3.39Å
199	K	83.3	Confident	89.9	Confident	80 Å²	80	29.2 Å²	29.2	35%	0.348	15%	0.151	S	C	.	.			trans	-69.4	126.6	-175.7	-60.9	174.9	-176.6	174.2	0	111.4	K153 Y194 Y201	K153-K199 PolarHBondContact NZ-O 2.9Å; Y194-K199 HydrophobicContact CD1-CB 3.83Å; Y194-K199 HydrophobicContact CE1-CB 3.83Å; Y194-K199 HydrophobicContact CE1-CD 4.22Å; Y194-K199 HydrophobicContact CE1-CG 4.36Å; K199-Y201 VanDerWaalsContact C-N 3.31Å; K199-Y201 HydrophobicContact CB-CD1 4.45Å; K199-Y201 HydrophobicContact CB-CD2 4.01Å; K199-Y201 HydrophobicContact CB-CE1 4.48Å; K199-Y201 HydrophobicContact CB-CE2 4.08Å; K199-Y201 HydrophobicContact CB-CG 4.2Å; K199-Y201 HydrophobicContact CD-CD2 4.26Å; K199-Y201 HydrophobicContact CD-CE2 3.79Å; K199-Y201 HydrophobicContact CG-CE2 4.32Å; K199-Y201 PolarHBondContact O-N 3.47Å; K199-Y201 VanDerWaalsContact O-N 3.14Å
200	P	90.1	Very high	89.8	Confident	17 Å²	17	30.1 Å²	30.1	11%	0.11	16%	0.156	C	C	.	.			trans	-89.3	63.2	179.6	36.4	-36.4	0	0	0	111.2	D198 Y216 Q217	D198-P200 WeakPolarHBondContact O-CD 3.39Å; P200-Y216 HydrophobicContact CB-CD1 4.1Å; P200-Y216 HydrophobicContact CB-CD2 4.41Å; P200-Y216 HydrophobicContact CB-CE1 3.54Å; P200-Y216 HydrophobicContact CB-CE2 3.87Å; P200-Y216 HydrophobicContact CB-CG 4.49Å; P200-Y216 WeakPolarHBondContact O-CD1 3.45Å; P200-Y216 VanDerWaalsContact O-CE1 3.26Å; P200-Y216 WeakPolarHBondContact O-CE1 3.49Å; P200-Y216 PolarHBondContact O-N 3.13Å; P200-Q217 HydrophobicContact CB-CG 3.77Å; P200-Q217 HydrophobicContact CG-CB 4.36Å; P200-Q217 HydrophobicContact CG-CG 3.9Å
201	Y	93.1	Very high	89.9	Confident	46 Å²	46	30.1 Å²	30.1	18%	0.18	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.6	-174.2	-65.1	-14.3	0	0	0	114.1	Y194 K199 I213 W214 D215 V222	Y194-Y201 WeakPolarHBondContact CB-O 3.39Å; Y194-Y201 PolarHBondContact N-O 3.25Å; K199-Y201 VanDerWaalsContact C-N 3.31Å; K199-Y201 HydrophobicContact CB-CD1 4.45Å; K199-Y201 HydrophobicContact CB-CD2 4.01Å; K199-Y201 HydrophobicContact CB-CE1 4.48Å; K199-Y201 HydrophobicContact CB-CE2 4.08Å; K199-Y201 HydrophobicContact CB-CG 4.2Å; K199-Y201 HydrophobicContact CD-CD2 4.26Å; K199-Y201 HydrophobicContact CD-CE2 3.79Å; K199-Y201 HydrophobicContact CG-CE2 4.32Å; K199-Y201 PolarHBondContact O-N 3.47Å; K199-Y201 VanDerWaalsContact O-N 3.14Å; Y201-I213 HydrophobicContact CD2-CG2 4.25Å; Y201-I213 HydrophobicContact CG-CG2 4.28Å; Y201-W214 CarbonylContact C-O 3.59Å; Y201-W214 VanDerWaalsContact CA-O 3.29Å; Y201-W214 WeakPolarHBondContact CA-O 3.48Å; Y201-D215 HydrophobicContact CD1-CB 4.37Å; Y201-D215 HydrophobicContact CE1-CB 4.3Å; Y201-V222 HydrophobicContact CD1-CG2 4.49Å; Y201-V222 HydrophobicContact CE1-CG2 4.04Å
202	L	94.4	Very high	89.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.3	167.8	-83.9	172.7	0	0	0	108.9	A159 V169 L181 I191 D192 Y193 I213 W214 Y216	A159-L202 HydrophobicContact CB-CD1 4.49Å; A159-L202 HydrophobicContact CB-CD2 4.29Å; V169-L202 HydrophobicContact CG2-CD1 4.08Å; L181-L202 HydrophobicContact CD1-CD1 4.16Å; I191-L202 HydrophobicContact CD1-CD1 4.47Å; I191-L202 HydrophobicContact CD1-CD2 4.09Å; I191-L202 HydrophobicContact CG1-CD2 4.04Å; D192-L202 WeakPolarHBondContact O-CA 3.49Å; D192-L202 WeakPolarHBondContact O-CD2 3.49Å; Y193-L202 HydrophobicContact CD1-CD2 3.39Å; Y193-L202 HydrophobicContact CD1-CG 3.96Å; Y193-L202 HydrophobicContact CD2-CD2 3.7Å; Y193-L202 HydrophobicContact CE1-CD1 4.2Å; Y193-L202 HydrophobicContact CE1-CD2 3.42Å; Y193-L202 VanDerWaalsContact CE1-CD2 3.42Å; Y193-L202 HydrophobicContact CE1-CG 3.78Å; Y193-L202 HydrophobicContact CE2-CD2 3.74Å; Y193-L202 HydrophobicContact CG-CD2 3.54Å; L202-I213 CarbonylContact O-C 3.46Å; L202-I213 WeakPolarHBondContact O-CA 3.44Å; L202-W214 HydrophobicContact CB-CB 4.14Å; L202-W214 PolarHBondContact N-O 3.03Å; L202-W214 PolarHBondContact O-N 3.4Å; L202-Y216 HydrophobicContact CD1-CD1 4.37Å; L202-Y216 HydrophobicContact CG-CD1 4.08Å
203	I	95.9	Very high	89.9	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.5	171	-170	169.4	0	0	0	109.8	I191 D192 V211 K212 I213 A235 F237 I244	I191-I203 CarbonylContact C-O 3.59Å; I191-I203 VanDerWaalsContact CA-O 3.24Å; I191-I203 WeakPolarHBondContact CA-O 3.44Å; D192-I203 HydrophobicContact CB-CG2 3.78Å; D192-I203 PolarHBondContact N-O 3.42Å; D192-I203 PolarHBondContact O-N 3.11Å; I203-V211 HydrophobicContact CD1-CG1 3.52Å; I203-V211 HydrophobicContact CG1-CG1 3.47Å; I203-V211 VanDerWaalsContact CG1-CG1 3.47Å; I203-K212 CarbonylContact C-O 3.54Å; I203-K212 WeakPolarHBondContact CA-O 3.42Å; I203-I213 HydrophobicContact CD1-CG1 4.37Å; I203-I213 HydrophobicContact CG1-CG1 4.23Å; I203-A235 HydrophobicContact CD1-CB 4.16Å; I203-A235 HydrophobicContact CG1-CB 4.19Å; I203-A235 HydrophobicContact CG2-CB 4.5Å; I203-F237 HydrophobicContact CB-CD2 4.14Å; I203-F237 HydrophobicContact CB-CE2 3.45Å; I203-F237 VanDerWaalsContact CB-CE2 3.45Å; I203-F237 HydrophobicContact CB-CZ 3.84Å; I203-F237 HydrophobicContact CD1-CZ 4.49Å; I203-F237 HydrophobicContact CG2-CD2 3.61Å; I203-F237 HydrophobicContact CG2-CE2 3.46Å; I203-F237 VanDerWaalsContact CG2-CE2 3.46Å; I203-F237 HydrophobicContact CG2-CZ 4.23Å; I203-I244 HydrophobicContact CD1-CB 4.47Å; I203-I244 HydrophobicContact CD1-CD1 4.27Å; I203-I244 HydrophobicContact CD1-CG2 3.21Å
204	S	96.6	Very high	89.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.8	175.6	60.8	0	0	0	0	112.3	I167 H184 C190 V211 K212 W214	I167-S204 VanDerWaalsContact CD1-CB 3.43Å; H184-S204 PolarHBondContact NE2-OG 3.04Å; C190-S204 VanDerWaalsContact O-CA 3.27Å; C190-S204 WeakPolarHBondContact O-CA 3.41Å; S204-V211 CarbonylContact O-C 3.44Å; S204-V211 VanDerWaalsContact O-CA 3.24Å; S204-V211 WeakPolarHBondContact O-CA 3.42Å; S204-V211 WeakPolarHBondContact O-CG1 3.45Å; S204-K212 PolarHBondContact N-O 3.43Å; S204-K212 PolarHBondContact O-N 3.36Å; S204-W214 PolarHBondContact OG-NE1 3.23Å
205	G	96.3	Very high	90.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.5	172.9	0	0	0	0	0	110.9	N189 C190	N189-G205 PolarHBondContact N-O 3.13Å; C190-G205 PolarHBondContact N-O 2.76Å; C190-G205 PolarHBondContact O-N 3.37Å; C190-G205 VanDerWaalsContact O-N 3.13Å; C190-G205 WeakPolarHBondContact SG-CA 3.4Å; C190-G205 PolarHBondContact SG-N 3.16Å; C190-G205 VanDerWaalsContact SG-N 3.4Å
206	A	96.2	Very high	90.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	172.1	-170.9	0	0	0	0	0	113.1	H184 G187 D208 R209 L210 V232	H184-A206 HydrophobicContact CB-CB 4.21Å; H184-A206 VanDerWaalsContact ND1-CB 3.33Å; H184-A206 WeakPolarHBondContact ND1-CB 3.49Å; G187-A206 WeakPolarHBondContact O-CA 3.3Å; G187-A206 WeakPolarHBondContact O-CB 3.43Å; A206-D208 WeakPolarHBondContact CB-OD1 3.24Å; A206-D208 PolarHBondContact O-N 3.11Å; A206-R209 PolarHBondContact O-N 3.11Å; A206-L210 PolarHBondContact N-O 2.89Å; A206-V232 PolarHBondContact O-N 3.01Å
207	D	95.3	Very high	91.4	Very high	37 Å²	37	36.1 Å²	36.1	20%	0.198	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.2	176.3	-72.3	-19.7	0	0	0	113.8	K186 G187 N189 R209 N231	K186-D207 HydrophobicContact CB-CB 3.86Å; K186-D207 HydrophobicContact CD-CB 3.85Å; K186-D207 VanDerWaalsContact CD-O 3.29Å; K186-D207 WeakPolarHBondContact CD-O 3.3Å; K186-D207 PolarHBondContact NZ-O 3.02Å; G187-D207 PolarHBondContact O-N 3Å; G187-D207 VanDerWaalsContact O-N 3.15Å; N189-D207 PolarHBondContact ND2-OD1 2.87Å; D207-R209 PolarHBondContact O-N 3.45Å; D207-N231 PolarHBondContact O-OD1 2.75Å; D207-N231 WeakPolarHBondContact OD1-CB 3.33Å; D207-N231 VanDerWaalsContact OD1-CG 3.23Å; D207-N231 PolarHBondContact OD1-ND2 2.82Å; D207-N231 VanDerWaalsContact OD1-ND2 3.13Å
208	D	93.4	Very high	92.4	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.123	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	1.6	171.4	63.6	9.9	0	0	0	112.4	H184 E185 K186 A206 L210	H184-D208 IonicContact CE1-OD1 3.81Å; H184-D208 IonicContact CE1-OD2 3.95Å; H184-D208 IonicContact CG-OD2 3.15Å; H184-D208 IonicContact ND1-OD1 3.08Å; H184-D208 PolarHBondContact ND1-OD1 2.88Å; H184-D208 IonicContact ND1-OD2 3.39Å; H184-D208 PolarHBondContact ND1-OD2 3.14Å; E185-D208 HydrophobicContact CB-CB 4.49Å; E185-D208 PolarHBondContact N-OD2 3.33Å; K186-D208 HydrophobicContact CB-CB 4.27Å; K186-D208 HydrophobicContact CD-CB 4.5Å; K186-D208 HydrophobicContact CG-CB 4.4Å; A206-D208 WeakPolarHBondContact CB-OD1 3.24Å; A206-D208 PolarHBondContact O-N 3.11Å; D208-L210 HydrophobicContact CB-CG 4.48Å; D208-L210 PolarHBondContact O-N 3.21Å; D208-L210 VanDerWaalsContact OD1-CB 3.29Å; D208-L210 WeakPolarHBondContact OD1-CB 3.27Å; D208-L210 PolarHBondContact OD1-N 2.51Å
209	R	94.6	Very high	93.5	Very high	119 Å²	119	38.4 Å²	38.4	45%	0.449	18%	0.176	S	C	.	.	S	Bend	trans	71.1	7.1	-179.3	-44.5	169.1	-177.1	166.1	-1.6	113.5	A206 D207 A229	A206-R209 PolarHBondContact O-N 3.11Å; D207-R209 PolarHBondContact O-N 3.45Å; R209-A229 WeakPolarHBondContact CD-O 3.18Å; R209-A229 PolarHBondContact NE-O 2.82Å
210	L	95	Very high	94	Very high	37 Å²	37	38 Å²	38	19%	0.194	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	149.1	-179.4	-53.7	176.6	0	0	0	110	A206 D208 T224 E226	A206-L210 PolarHBondContact N-O 2.89Å; D208-L210 HydrophobicContact CB-CG 4.48Å; D208-L210 PolarHBondContact O-N 3.21Å; D208-L210 VanDerWaalsContact OD1-CB 3.29Å; D208-L210 WeakPolarHBondContact OD1-CB 3.27Å; D208-L210 PolarHBondContact OD1-N 2.51Å; L210-T224 HydrophobicContact CB-CG2 4.07Å; L210-T224 HydrophobicContact CD1-CG2 4.11Å; L210-T224 HydrophobicContact CD2-CG2 4.01Å; L210-T224 HydrophobicContact CG-CG2 4.3Å; L210-E226 HydrophobicContact CD2-CG 3.75Å
211	V	96.6	Very high	94.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.6	165.8	-176.8	0	0	0	0	107.9	I203 S204 L225 V232 A235 T246	I203-V211 HydrophobicContact CD1-CG1 3.52Å; I203-V211 HydrophobicContact CG1-CG1 3.47Å; I203-V211 VanDerWaalsContact CG1-CG1 3.47Å; S204-V211 CarbonylContact O-C 3.44Å; S204-V211 VanDerWaalsContact O-CA 3.24Å; S204-V211 WeakPolarHBondContact O-CA 3.42Å; S204-V211 WeakPolarHBondContact O-CG1 3.45Å; V211-L225 HydrophobicContact CB-CB 4.14Å; V211-L225 HydrophobicContact CB-CD1 4.24Å; V211-L225 HydrophobicContact CB-CG 4.48Å; V211-L225 HydrophobicContact CG1-CD1 4.13Å; V211-L225 PolarHBondContact N-O 3.27Å; V211-L225 VanDerWaalsContact N-O 3.16Å; V211-L225 PolarHBondContact O-N 3.15Å; V211-V232 HydrophobicContact CG2-CB 4.2Å; V211-V232 HydrophobicContact CG2-CG1 3.74Å; V211-V232 HydrophobicContact CG2-CG2 3.77Å; V211-A235 HydrophobicContact CG1-CB 4.11Å; V211-T246 HydrophobicContact CB-CG2 4.44Å; V211-T246 HydrophobicContact CG1-CG2 4.11Å; V211-T246 HydrophobicContact CG2-CG2 3.92Å
212	K	95.9	Very high	94.1	Very high	27 Å²	27	40 Å²	40	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.1	-178	-70.8	-179	-179.6	-74.6	0	110.4	G183 I203 S204 W214 Q223 T224	G183-K212 WeakPolarHBondContact O-CE 3.35Å; I203-K212 CarbonylContact C-O 3.54Å; I203-K212 WeakPolarHBondContact CA-O 3.42Å; S204-K212 PolarHBondContact N-O 3.43Å; S204-K212 PolarHBondContact O-N 3.36Å; K212-W214 HydrophobicContact CB-CZ2 3.93Å; K212-W214 HydrophobicContact CD-CH2 4.17Å; K212-W214 HydrophobicContact CD-CZ2 3.64Å; K212-W214 HydrophobicContact CG-CZ2 4.44Å; K212-Q223 WeakPolarHBondContact CA-O 3.25Å; K212-T224 HydrophobicContact CG-CG2 4.25Å; K212-T224 PolarHBondContact NZ-OG1 3.13Å
213	I	95.6	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.4	174.2	-59.3	175	0	0	0	107.3	Y201 L202 I203 C221 V222 Q223 L225 F237 I244 Y261	Y201-I213 HydrophobicContact CD2-CG2 4.25Å; Y201-I213 HydrophobicContact CG-CG2 4.28Å; L202-I213 CarbonylContact O-C 3.46Å; L202-I213 WeakPolarHBondContact O-CA 3.44Å; I203-I213 HydrophobicContact CD1-CG1 4.37Å; I203-I213 HydrophobicContact CG1-CG1 4.23Å; I213-C221 CarbonylContact O-C 3.59Å; I213-V222 HydrophobicContact CG2-CB 4.34Å; I213-V222 PolarHBondContact O-N 3.16Å; I213-Q223 PolarHBondContact N-O 3.37Å; I213-Q223 PolarHBondContact O-N 3.23Å; I213-L225 HydrophobicContact CD1-CD1 4.36Å; I213-F237 HydrophobicContact CG2-CZ 4.44Å; I213-I244 HydrophobicContact CD1-CD1 3.59Å; I213-Y261 HydrophobicContact CD1-CD1 3.39Å; I213-Y261 HydrophobicContact CD1-CE1 3.09Å; I213-Y261 HydrophobicContact CD1-CG 4.45Å; I213-Y261 HydrophobicContact CG1-CE1 4.49Å
214	W	94.9	Very high	94	Very high	9 Å²	9	45.7 Å²	45.7	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.2	-174.4	-54.7	89.4	0	0	0	110	L181 Y201 L202 S204 K212 T220 C221	L181-W214 HydrophobicContact CB-CE3 4.3Å; L181-W214 HydrophobicContact CB-CZ3 4.48Å; L181-W214 HydrophobicContact CD1-CB 3.96Å; L181-W214 HydrophobicContact CD1-CD2 4.31Å; L181-W214 HydrophobicContact CD1-CE3 4.46Å; L181-W214 HydrophobicContact CD1-CG 4.1Å; Y201-W214 CarbonylContact C-O 3.59Å; Y201-W214 VanDerWaalsContact CA-O 3.29Å; Y201-W214 WeakPolarHBondContact CA-O 3.48Å; L202-W214 HydrophobicContact CB-CB 4.14Å; L202-W214 PolarHBondContact N-O 3.03Å; L202-W214 PolarHBondContact O-N 3.4Å; S204-W214 PolarHBondContact OG-NE1 3.23Å; K212-W214 HydrophobicContact CB-CZ2 3.93Å; K212-W214 HydrophobicContact CD-CH2 4.17Å; K212-W214 HydrophobicContact CD-CZ2 3.64Å; K212-W214 HydrophobicContact CG-CZ2 4.44Å; W214-T220 WeakPolarHBondContact CA-O 3.39Å; W214-C221 HydrophobicContact CE3-CB 3.98Å; W214-C221 HydrophobicContact CH2-CB 4.3Å; W214-C221 HydrophobicContact CZ3-CB 3.83Å
215	D	93.4	Very high	93.9	Very high	18 Å²	18	46 Å²	46	10%	0.096	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.7	161.1	-178.5	-28.5	0	0	0	107.1	Y201 Q217 N218 K219 T220 V222	Y201-D215 HydrophobicContact CD1-CB 4.37Å; Y201-D215 HydrophobicContact CE1-CB 4.3Å; D215-Q217 VanDerWaalsContact C-N 3.32Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.47Å; D215-Q217 PolarHBondContact OD1-N 2.94Å; D215-N218 HydrophobicContact CB-CB 4.23Å; D215-N218 PolarHBondContact OD1-N 3.5Å; D215-N218 PolarHBondContact OD2-ND2 2.74Å; D215-K219 WeakPolarHBondContact O-CA 3.43Å; D215-K219 PolarHBondContact O-N 3.23Å; D215-T220 PolarHBondContact N-O 3.02Å; D215-T220 PolarHBondContact O-N 2.93Å; D215-V222 HydrophobicContact CB-CG2 3.65Å
216	Y	89.8	Confident	93.7	Very high	33 Å²	33	52.6 Å²	52.6	13%	0.129	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.8	-175.1	69.4	-108.3	0	0	0	113.3	F179 Y193 P200 L202	F179-Y216 HydrophobicContact CZ-CD2 4.31Å; F179-Y216 HydrophobicContact CZ-CG 4.5Å; F179-Y216 WeakPolarHBondContact CZ-O 3.46Å; Y193-Y216 HydrophobicContact CD1-CE1 4.24Å; Y193-Y216 HydrophobicContact CE1-CD1 4.12Å; Y193-Y216 HydrophobicContact CE1-CE1 4.03Å; P200-Y216 HydrophobicContact CB-CD1 4.1Å; P200-Y216 HydrophobicContact CB-CD2 4.41Å; P200-Y216 HydrophobicContact CB-CE1 3.54Å; P200-Y216 HydrophobicContact CB-CE2 3.87Å; P200-Y216 HydrophobicContact CB-CG 4.49Å; P200-Y216 WeakPolarHBondContact O-CD1 3.45Å; P200-Y216 VanDerWaalsContact O-CE1 3.26Å; P200-Y216 WeakPolarHBondContact O-CE1 3.49Å; P200-Y216 PolarHBondContact O-N 3.13Å; L202-Y216 HydrophobicContact CD1-CD1 4.37Å; L202-Y216 HydrophobicContact CG-CD1 4.08Å
217	Q	90.1	Very high	93.4	Very high	131 Å²	131	54.4 Å²	54.4	61%	0.612	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-48.9	172.2	-69.6	-179.8	-4.5	0	0	110.2	P200 D215 K219	P200-Q217 HydrophobicContact CB-CG 3.77Å; P200-Q217 HydrophobicContact CG-CB 4.36Å; P200-Q217 HydrophobicContact CG-CG 3.9Å; D215-Q217 VanDerWaalsContact C-N 3.32Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.47Å; D215-Q217 PolarHBondContact OD1-N 2.94Å; Q217-K219 VanDerWaalsContact C-N 3.34Å
218	N	90.4	Very high	93.4	Very high	110 Å²	110	53.2 Å²	53.2	59%	0.588	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-16	179.2	-68.7	-43.6	0	0	0	113.1	D215 T220	D215-N218 HydrophobicContact CB-CB 4.23Å; D215-N218 PolarHBondContact OD1-N 3.5Å; D215-N218 PolarHBondContact OD2-ND2 2.74Å; N218-T220 PolarHBondContact O-N 3.07Å
219	K	92.6	Very high	93.4	Very high	118 Å²	118	54.8 Å²	54.8	51%	0.513	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	33.5	-179.2	-50.9	172.8	-173.1	178.9	0	112.7	F179 L181 D215 Q217	F179-K219 HydrophobicContact CB-CD 4.4Å; F179-K219 HydrophobicContact CD2-CG 4.39Å; F179-K219 HydrophobicContact CG-CD 4.48Å; L181-K219 HydrophobicContact CD2-CB 3.78Å; L181-K219 HydrophobicContact CD2-CG 4.24Å; D215-K219 WeakPolarHBondContact O-CA 3.43Å; D215-K219 PolarHBondContact O-N 3.23Å; Q217-K219 VanDerWaalsContact C-N 3.34Å
220	T	92.8	Very high	93.4	Very high	73 Å²	73	53.4 Å²	53.4	45%	0.448	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.7	-178.3	55	0	0	0	0	111.2	W214 D215 N218 V222	W214-T220 WeakPolarHBondContact CA-O 3.39Å; D215-T220 PolarHBondContact N-O 3.02Å; D215-T220 PolarHBondContact O-N 2.93Å; N218-T220 PolarHBondContact O-N 3.07Å; T220-V222 PolarHBondContact O-N 3.13Å
221	C	93.4	Very high	93.4	Very high	51 Å²	51	53.3 Å²	53.3	35%	0.345	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	109.8	168.7	179.4	0	0	0	0	108.4	I213 W214	I213-C221 CarbonylContact O-C 3.59Å; W214-C221 HydrophobicContact CE3-CB 3.98Å; W214-C221 HydrophobicContact CH2-CB 4.3Å; W214-C221 HydrophobicContact CZ3-CB 3.83Å
222	V	92.6	Very high	93.4	Very high	54 Å²	54	53.2 Å²	53.2	33%	0.327	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-46.4	177.9	177.8	0	0	0	0	110.4	Y201 I213 D215 T220	Y201-V222 HydrophobicContact CD1-CG2 4.49Å; Y201-V222 HydrophobicContact CE1-CG2 4.04Å; I213-V222 HydrophobicContact CG2-CB 4.34Å; I213-V222 PolarHBondContact O-N 3.16Å; D215-V222 HydrophobicContact CB-CG2 3.65Å; T220-V222 PolarHBondContact O-N 3.13Å
223	Q	93.9	Very high	93.4	Very high	83 Å²	83	52.7 Å²	52.7	39%	0.388	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	149.9	-178.3	-174.2	61	-52.8	0	0	112.3	K212 I213 L225 Y261	K212-Q223 WeakPolarHBondContact CA-O 3.25Å; I213-Q223 PolarHBondContact N-O 3.37Å; I213-Q223 PolarHBondContact O-N 3.23Å; Q223-L225 HydrophobicContact CG-CD2 4.18Å; Q223-Y261 HydrophobicContact CB-CD2 3.93Å; Q223-Y261 HydrophobicContact CB-CE2 4.01Å; Q223-Y261 HydrophobicContact CB-CG 4.25Å; Q223-Y261 HydrophobicContact CG-CD2 3.71Å; Q223-Y261 HydrophobicContact CG-CE2 4.31Å; Q223-Y261 HydrophobicContact CG-CG 3.81Å
224	T	94.9	Very high	93.3	Very high	36 Å²	36	53 Å²	53	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123	168.6	-58.5	0	0	0	0	109.4	L210 K212 E226	L210-T224 HydrophobicContact CB-CG2 4.07Å; L210-T224 HydrophobicContact CD1-CG2 4.11Å; L210-T224 HydrophobicContact CD2-CG2 4.01Å; L210-T224 HydrophobicContact CG-CG2 4.3Å; K212-T224 HydrophobicContact CG-CG2 4.25Å; K212-T224 PolarHBondContact NZ-OG1 3.13Å; T224-E226 HydrophobicContact CG2-CG 4.15Å
225	L	94.3	Very high	93.4	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123	174.3	-47.6	176.5	0	0	0	108.7	V211 I213 Q223 I244 W256 Y261	V211-L225 HydrophobicContact CB-CB 4.14Å; V211-L225 HydrophobicContact CB-CD1 4.24Å; V211-L225 HydrophobicContact CB-CG 4.48Å; V211-L225 HydrophobicContact CG1-CD1 4.13Å; V211-L225 PolarHBondContact N-O 3.27Å; V211-L225 VanDerWaalsContact N-O 3.16Å; V211-L225 PolarHBondContact O-N 3.15Å; I213-L225 HydrophobicContact CD1-CD1 4.36Å; Q223-L225 HydrophobicContact CG-CD2 4.18Å; L225-I244 HydrophobicContact CD1-CD1 4.38Å; L225-W256 HydrophobicContact CB-CD2 4.47Å; L225-W256 HydrophobicContact CB-CE3 4.33Å; L225-W256 HydrophobicContact CB-CH2 4.3Å; L225-W256 HydrophobicContact CB-CZ2 4.43Å; L225-W256 HydrophobicContact CB-CZ3 4.23Å; L225-W256 HydrophobicContact CD1-CB 4.47Å; L225-W256 HydrophobicContact CD1-CD2 4.08Å; L225-W256 HydrophobicContact CD1-CE3 4.47Å; L225-W256 HydrophobicContact CD1-CG 4.05Å; L225-W256 HydrophobicContact CD2-CE3 4.25Å; L225-Y261 HydrophobicContact CD2-CD1 4.21Å; L225-Y261 HydrophobicContact CD2-CG 4.22Å
226	E	92.6	Very high	93.4	Very high	140 Å²	140	52.5 Å²	52.5	65%	0.654	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.4	-179.1	-57.6	-169.2	170.6	0	0	110.3	L210 T224 W256	L210-E226 HydrophobicContact CD2-CG 3.75Å; T224-E226 HydrophobicContact CG2-CG 4.15Å; E226-W256 WeakPolarHBondContact O-CH2 3.46Å
227	G	89.3	Confident	93.5	Very high	38 Å²	38	51.3 Å²	51.3	39%	0.392	28%	0.283	S	S	.	.			trans	165.7	-24	168.4	0	0	0	0	0	115.8	R254	G227-R254 VanDerWaalsContact CA-NH1 3.26Å; G227-R254 PolarHBondContact O-NH1 3.32Å; G227-R254 PolarHBondContact O-NH2 3.31Å
228	H	94.3	Very high	93.6	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	25%	0.254	C	S	.	.			trans	-66.2	145	177.9	-80.4	-66.6	0	0	0	112	V232 T246 S248 D250 T252	H228-V232 HydrophobicContact CB-CG2 4.25Å; H228-T246 PolarHBondContact NE2-OG1 3.49Å; H228-S248 VanDerWaalsContact CE1-CB 3.49Å; H228-S248 WeakPolarHBondContact CE1-CB 3.4Å; H228-S248 WeakPolarHBondContact ND1-CB 3.35Å; H228-D250 IonicContact CG-OD2 3.98Å; H228-D250 IonicContact ND1-OD1 3.93Å; H228-D250 IonicContact ND1-OD2 3.13Å; H228-D250 PolarHBondContact ND1-OD2 2.96Å; H228-D250 VanDerWaalsContact ND1-OD2 3.08Å; H228-T252 PolarHBondContact CE1-OG1 3.33Å; H228-T252 PolarHBondContact ND1-OG1 3.48Å
229	A	93.5	Very high	93.4	Very high	55 Å²	55	40.4 Å²	40.4	46%	0.455	23%	0.229	S	C	.	.	S	Bend	trans	-86.3	-24.9	-179.1	0	0	0	0	0	112.7	R209 D250	R209-A229 WeakPolarHBondContact CD-O 3.18Å; R209-A229 PolarHBondContact NE-O 2.82Å; A229-D250 HydrophobicContact CB-CB 4.05Å; A229-D250 PolarHBondContact N-OD2 3.03Å
230	Q	95.4	Very high	92.9	Very high	90 Å²	90	37.2 Å²	37.2	42%	0.421	22%	0.216	S	C	.	.	S	Bend	trans	-129.2	-177	-178.1	-64	-64.6	-9.8	0	0	110.9	S248 E249 D250	Q230-S248 PolarHBondContact O-OG 2.92Å; Q230-E249 HydrophobicContact CB-CB 3.98Å; Q230-D250 HydrophobicContact CB-CB 4.12Å; Q230-D250 HydrophobicContact CG-CB 4.1Å
231	N	95.4	Very high	92.5	Very high	35 Å²	35	34.6 Å²	34.6	19%	0.187	20%	0.199	C	C	.	.			trans	-53.4	141.5	-179.6	-60	-9.6	0	0	0	111.3	D207 S248 E249	D207-N231 PolarHBondContact O-OD1 2.75Å; D207-N231 WeakPolarHBondContact OD1-CB 3.33Å; D207-N231 VanDerWaalsContact OD1-CG 3.23Å; D207-N231 PolarHBondContact OD1-ND2 2.82Å; D207-N231 VanDerWaalsContact OD1-ND2 3.13Å; N231-S248 VanDerWaalsContact O-CA 3.31Å; N231-S248 WeakPolarHBondContact O-CA 3.42Å; N231-S248 WeakPolarHBondContact O-CB 3.4Å; N231-S248 PolarHBondContact O-OG 3.34Å; N231-E249 HydrophobicContact CB-CG 4.38Å; N231-E249 PolarHBondContact O-N 2.95Å
232	V	96.4	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.4	174.4	-176.8	0	0	0	0	107.7	N189 A206 V211 H228 G247	N189-V232 PolarHBondContact ND2-O 3.01Å; A206-V232 PolarHBondContact O-N 3.01Å; V211-V232 HydrophobicContact CG2-CB 4.2Å; V211-V232 HydrophobicContact CG2-CG1 3.74Å; V211-V232 HydrophobicContact CG2-CG2 3.77Å; H228-V232 HydrophobicContact CB-CG2 4.25Å; V232-G247 WeakPolarHBondContact CG1-O 3.49Å
233	S	95.3	Very high	92.1	Very high	15 Å²	15	30.1 Å²	30.1	11%	0.105	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-36.8	-176.5	61.6	0	0	0	0	111.9	C190 G247 V274	C190-S233 WeakPolarHBondContact CB-O 3.2Å; S233-G247 PolarHBondContact N-O 2.94Å; S233-G247 PolarHBondContact OG-O 3.09Å; S233-G247 VanDerWaalsContact OG-O 3.1Å; S233-V274 WeakPolarHBondContact CB-O 3.3Å; S233-V274 PolarHBondContact OG-O 2.95Å
234	C	94.3	Very high	92.1	Very high	7 Å²	7	26.1 Å²	26.1	5%	0.047	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	142.5	-176.4	62.3	0	0	0	0	111.5	C190 T246 G247 V277	C190-C234 WeakPolarHBondContact SG-CA 3.5Å; C234-T246 CarbonylContact O-C 3.5Å; C234-T246 WeakPolarHBondContact O-CA 3.34Å; C234-G247 PolarHBondContact N-O 3.4Å; C234-G247 PolarHBondContact O-N 3.44Å; C234-V277 HydrophobicContact CB-CG1 3.91Å
235	A	95.8	Very high	92.1	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	135	174.7	0	0	0	0	0	108	C190 I203 V211 I245 T246	C190-A235 PolarHBondContact SG-N 2.86Å; I203-A235 HydrophobicContact CD1-CB 4.16Å; I203-A235 HydrophobicContact CG1-CB 4.19Å; I203-A235 HydrophobicContact CG2-CB 4.5Å; V211-A235 HydrophobicContact CG1-CB 4.11Å; A235-I245 CarbonylContact C-O 3.49Å; A235-I245 WeakPolarHBondContact CA-O 3.26Å; A235-T246 HydrophobicContact CB-CG2 4.16Å
236	S	93.9	Very high	92.2	Very high	14 Å²	14	24.4 Å²	24.4	10%	0.098	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.9	-178.9	178.2	0	0	0	0	111.4	D192 I245	D192-S236 WeakPolarHBondContact OD2-CA 3.46Å; D192-S236 VanDerWaalsContact OD2-CB 3.29Å; D192-S236 WeakPolarHBondContact OD2-CB 3.27Å; D192-S236 PolarHBondContact OD2-OG 3.35Å; S236-I245 PolarHBondContact N-O 2.94Å; S236-I245 PolarHBondContact O-N 3.35Å
237	F	92.6	Very high	92.4	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.035	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.2	166.4	-73.8	-75.3	0	0	0	109.1	D192 Y194 I203 I213 I244	D192-F237 PolarHBondContact OD2-N 3.08Å; Y194-F237 HydrophobicContact CD2-CB 4.1Å; Y194-F237 AromaticContact CD2-CD1 3.63Å; Y194-F237 HydrophobicContact CD2-CD1 3.63Å; Y194-F237 HydrophobicContact CD2-CD2 4.33Å; Y194-F237 HydrophobicContact CD2-CE1 4.07Å; Y194-F237 AromaticContact CD2-CG 3.77Å; Y194-F237 HydrophobicContact CD2-CG 3.77Å; Y194-F237 HydrophobicContact CE2-CD1 4.35Å; Y194-F237 HydrophobicContact CG-CD1 4.49Å; Y194-F237 HydrophobicContact CG-CG 4.48Å; I203-F237 HydrophobicContact CB-CD2 4.14Å; I203-F237 HydrophobicContact CB-CE2 3.45Å; I203-F237 VanDerWaalsContact CB-CE2 3.45Å; I203-F237 HydrophobicContact CB-CZ 3.84Å; I203-F237 HydrophobicContact CD1-CZ 4.49Å; I203-F237 HydrophobicContact CG2-CD2 3.61Å; I203-F237 HydrophobicContact CG2-CE2 3.46Å; I203-F237 VanDerWaalsContact CG2-CE2 3.46Å; I203-F237 HydrophobicContact CG2-CZ 4.23Å; I213-F237 HydrophobicContact CG2-CZ 4.44Å; F237-I244 HydrophobicContact CD1-CD1 4.25Å; F237-I244 HydrophobicContact CD1-CG1 3.66Å; F237-I244 HydrophobicContact CE1-CD1 3.65Å; F237-I244 HydrophobicContact CE1-CG1 3.61Å; F237-I244 HydrophobicContact CZ-CD1 4.45Å
238	H	90.9	Very high	92.7	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.092	C	C	.	.			trans	-68.4	135.3	170.5	-170.6	-71.1	0	0	0	109.3	E240 L241 I243 I245	H238-E240 PolarHBondContact ND1-N 3.4Å; H238-E240 VanDerWaalsContact ND1-N 3.15Å; H238-L241 HydrophobicContact CB-CB 4.34Å; H238-L241 PolarHBondContact ND1-N 3.15Å; H238-I243 HydrophobicContact CB-CD1 4.14Å; H238-I243 HydrophobicContact CB-CG1 3.45Å; H238-I243 VanDerWaalsContact CB-CG1 3.45Å; H238-I243 PolarHBondContact N-O 2.99Å; H238-I245 HydrophobicContact CB-CD1 4.34Å
239	P	86.5	Confident	92.8	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.071	10%	0.101	C	C	.	.	S	Bend	trans	-68.9	-39.3	-172.1	22.3	-32.4	0	0	0	114.1	S195 L280 R281 H319	S195-P239 VanDerWaalsContact OG-CA 3.29Å; S195-P239 WeakPolarHBondContact OG-CA 3.45Å; P239-L280 WeakPolarHBondContact CG-O 3.34Å; P239-R281 HydrophobicContact CB-CB 4.48Å; P239-R281 HydrophobicContact CB-CG 3.95Å; P239-R281 HydrophobicContact CG-CG 4.33Å; P239-H319 PolarHBondContact O-NE2 2.85Å
240	E	82.7	Confident	92.8	Very high	51 Å²	51	17.1 Å²	17.1	24%	0.238	9%	0.089	C	C	.	.	S	Bend	trans	-99.4	-54.9	-177.8	-54.5	-54	147.7	0	0	113.1	H238 G282 H319 Y354	H238-E240 PolarHBondContact ND1-N 3.4Å; H238-E240 VanDerWaalsContact ND1-N 3.15Å; E240-G282 PolarHBondContact OE1-N 2.84Å; E240-G282 VanDerWaalsContact OE1-N 3.07Å; E240-H319 PolarHBondContact O-CD2 3.06Å; E240-H319 PolarHBondContact O-NE2 2.89Å; E240-Y354 PolarHBondContact O-OH 3.42Å
241	L	85.4	Confident	92.7	Very high	18 Å²	18	13 Å²	13	9%	0.094	7%	0.072	C	C	.	.	S	Bend	trans	-70.5	150.1	-179.8	-59	176.1	0	0	0	112.6	L5 H238 I243 N284 L299	L5-L241 HydrophobicContact CD2-CD1 4.24Å; H238-L241 HydrophobicContact CB-CB 4.34Å; H238-L241 PolarHBondContact ND1-N 3.15Å; L241-I243 HydrophobicContact CB-CD1 4.02Å; L241-I243 HydrophobicContact CB-CG1 3.87Å; L241-I243 HydrophobicContact CD1-CD1 3.9Å; L241-I243 PolarHBondContact O-N 3.47Å; L241-N284 HydrophobicContact CD1-CB 4.36Å; L241-L299 HydrophobicContact CD1-CB 3.65Å; L241-L299 WeakPolarHBondContact CD1-O 3.27Å
242	P	85.9	Confident	92.7	Very high	8 Å²	8	12.2 Å²	12.2	5%	0.052	7%	0.068	C	C	.	.	S	Bend	trans	-83.1	50	-177	40.2	-39	0	0	0	110.2	L3 S258 Y354	L3-P242 HydrophobicContact CD1-CG 3.73Å; P242-S258 VanDerWaalsContact C-CB 3.49Å; P242-S258 WeakPolarHBondContact CA-OG 3.31Å; P242-S258 WeakPolarHBondContact CB-OG 3.39Å; P242-S258 WeakPolarHBondContact O-CB 3.38Å; P242-S258 PolarHBondContact O-N 3.3Å; P242-S258 PolarHBondContact O-OG 3.07Å; P242-Y354 HydrophobicContact CB-CD2 3.71Å; P242-Y354 HydrophobicContact CB-CE2 4.01Å; P242-Y354 HydrophobicContact CB-CG 4.24Å; P242-Y354 VanDerWaalsContact CD-CE2 3.45Å; P242-Y354 VanDerWaalsContact CD-CZ 3.5Å; P242-Y354 HydrophobicContact CG-CD1 3.93Å; P242-Y354 HydrophobicContact CG-CD2 3.46Å; P242-Y354 VanDerWaalsContact CG-CD2 3.46Å; P242-Y354 HydrophobicContact CG-CE1 4.24Å; P242-Y354 HydrophobicContact CG-CE2 3.77Å; P242-Y354 HydrophobicContact CG-CG 3.53Å
243	I	90.4	Very high	92.7	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	157.5	-173.3	67.6	-179.9	0	0	0	112	L5 H238 L241 I255 W256 L299	L5-I243 HydrophobicContact CD1-CD1 4.02Å; L5-I243 HydrophobicContact CD1-CG2 4.32Å; H238-I243 HydrophobicContact CB-CD1 4.14Å; H238-I243 HydrophobicContact CB-CG1 3.45Å; H238-I243 VanDerWaalsContact CB-CG1 3.45Å; H238-I243 PolarHBondContact N-O 2.99Å; L241-I243 HydrophobicContact CB-CD1 4.02Å; L241-I243 HydrophobicContact CB-CG1 3.87Å; L241-I243 HydrophobicContact CD1-CD1 3.9Å; L241-I243 PolarHBondContact O-N 3.47Å; I243-I255 HydrophobicContact CB-CG2 3.99Å; I243-I255 HydrophobicContact CD1-CG2 4.05Å; I243-I255 HydrophobicContact CG1-CG2 4.48Å; I243-I255 HydrophobicContact CG2-CG2 4.22Å; I243-W256 CarbonylContact C-O 3.53Å; I243-W256 VanDerWaalsContact CA-O 3.24Å; I243-W256 WeakPolarHBondContact CA-O 3.42Å; I243-W256 WeakPolarHBondContact CB-O 3.4Å; I243-L299 HydrophobicContact CD1-CD1 3.62Å
244	I	93.9	Very high	92.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.1	175	-58.8	172.5	0	0	0	107.2	I203 I213 L225 F237 T246 I255 W256 Y261	I203-I244 HydrophobicContact CD1-CB 4.47Å; I203-I244 HydrophobicContact CD1-CD1 4.27Å; I203-I244 HydrophobicContact CD1-CG2 3.21Å; I213-I244 HydrophobicContact CD1-CD1 3.59Å; L225-I244 HydrophobicContact CD1-CD1 4.38Å; F237-I244 HydrophobicContact CD1-CD1 4.25Å; F237-I244 HydrophobicContact CD1-CG1 3.66Å; F237-I244 HydrophobicContact CE1-CD1 3.65Å; F237-I244 HydrophobicContact CE1-CG1 3.61Å; F237-I244 HydrophobicContact CZ-CD1 4.45Å; I244-T246 HydrophobicContact CG2-CG2 4.08Å; I244-I255 WeakPolarHBondContact O-CA 3.46Å; I244-W256 HydrophobicContact CB-CB 4.16Å; I244-W256 PolarHBondContact N-O 2.88Å; I244-W256 PolarHBondContact O-N 3.17Å; I244-Y261 HydrophobicContact CD1-CD1 4.27Å; I244-Y261 HydrophobicContact CD1-CE1 4.35Å
245	I	95.4	Very high	92.7	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.021	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.3	-180	-58.9	158.7	0	0	0	108	A235 S236 H238 V253 R254 V277 V286 L299	A235-I245 CarbonylContact C-O 3.49Å; A235-I245 WeakPolarHBondContact CA-O 3.26Å; S236-I245 PolarHBondContact N-O 2.94Å; S236-I245 PolarHBondContact O-N 3.35Å; H238-I245 HydrophobicContact CB-CD1 4.34Å; I245-V253 HydrophobicContact CG2-CG1 3.7Å; I245-R254 WeakPolarHBondContact CA-O 3.36Å; I245-V277 HydrophobicContact CG2-CG2 4.05Å; I245-V286 HydrophobicContact CD1-CB 4.45Å; I245-V286 HydrophobicContact CD1-CG1 3.97Å; I245-V286 HydrophobicContact CD1-CG2 3.74Å; I245-L299 HydrophobicContact CD1-CD1 3.85Å
246	T	96.6	Very high	92.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.7	178.2	64	0	0	0	0	109.9	V211 H228 C234 A235 I244 V253 R254 W256	V211-T246 HydrophobicContact CB-CG2 4.44Å; V211-T246 HydrophobicContact CG1-CG2 4.11Å; V211-T246 HydrophobicContact CG2-CG2 3.92Å; H228-T246 PolarHBondContact NE2-OG1 3.49Å; C234-T246 CarbonylContact O-C 3.5Å; C234-T246 WeakPolarHBondContact O-CA 3.34Å; A235-T246 HydrophobicContact CB-CG2 4.16Å; I244-T246 HydrophobicContact CG2-CG2 4.08Å; T246-V253 CarbonylContact O-C 3.58Å; T246-V253 VanDerWaalsContact O-CA 3.28Å; T246-V253 WeakPolarHBondContact O-CA 3.28Å; T246-R254 PolarHBondContact N-O 3.36Å; T246-R254 PolarHBondContact O-N 3.09Å; T246-W256 PolarHBondContact OG1-NE1 3.14Å
247	G	96.2	Very high	92.3	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.4	176.1	0	0	0	0	0	110.4	V232 S233 C234	V232-G247 WeakPolarHBondContact CG1-O 3.49Å; S233-G247 PolarHBondContact N-O 2.94Å; S233-G247 PolarHBondContact OG-O 3.09Å; S233-G247 VanDerWaalsContact OG-O 3.1Å; C234-G247 PolarHBondContact N-O 3.4Å; C234-G247 PolarHBondContact O-N 3.44Å
248	S	96.5	Very high	92	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	160	-176.7	177.1	0	0	0	0	112.5	H228 Q230 N231 D250 G251 T252 V274	H228-S248 VanDerWaalsContact CE1-CB 3.49Å; H228-S248 WeakPolarHBondContact CE1-CB 3.4Å; H228-S248 WeakPolarHBondContact ND1-CB 3.35Å; Q230-S248 PolarHBondContact O-OG 2.92Å; N231-S248 VanDerWaalsContact O-CA 3.31Å; N231-S248 WeakPolarHBondContact O-CA 3.42Å; N231-S248 WeakPolarHBondContact O-CB 3.4Å; N231-S248 PolarHBondContact O-OG 3.34Å; S248-D250 WeakPolarHBondContact CB-OD1 3.3Å; S248-D250 PolarHBondContact O-N 3.23Å; S248-D250 PolarHBondContact OG-N 3.27Å; S248-G251 PolarHBondContact O-N 3.09Å; S248-G251 VanDerWaalsContact O-N 3.12Å; S248-T252 PolarHBondContact N-O 3.47Å; S248-V274 PolarHBondContact O-N 2.94Å
249	E	95.8	Very high	91.6	Very high	52 Å²	52	16.5 Å²	16.5	24%	0.243	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	1.1	168.4	-63.4	-168.2	-133.5	0	0	113.6	Q230 N231 R273	Q230-E249 HydrophobicContact CB-CB 3.98Å; N231-E249 HydrophobicContact CB-CG 4.38Å; N231-E249 PolarHBondContact O-N 2.95Å; E249-R273 HydrophobicContact CB-CG 4.1Å; E249-R273 WeakPolarHBondContact O-CG 2.96Å; E249-R273 IonicContact OE2-NH1 3.13Å
250	D	94.2	Very high	91.5	Very high	39 Å²	39	19.4 Å²	19.4	21%	0.209	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.9	166.4	65.9	17.5	0	0	0	112.9	H228 A229 Q230 S248 T252	H228-D250 IonicContact CG-OD2 3.98Å; H228-D250 IonicContact ND1-OD1 3.93Å; H228-D250 IonicContact ND1-OD2 3.13Å; H228-D250 PolarHBondContact ND1-OD2 2.96Å; H228-D250 VanDerWaalsContact ND1-OD2 3.08Å; A229-D250 HydrophobicContact CB-CB 4.05Å; A229-D250 PolarHBondContact N-OD2 3.03Å; Q230-D250 HydrophobicContact CB-CB 4.12Å; Q230-D250 HydrophobicContact CG-CB 4.1Å; S248-D250 WeakPolarHBondContact CB-OD1 3.3Å; S248-D250 PolarHBondContact O-N 3.23Å; S248-D250 PolarHBondContact OG-N 3.27Å; D250-T252 VanDerWaalsContact CG-OG1 3.26Å; D250-T252 PolarHBondContact O-N 3.36Å; D250-T252 WeakPolarHBondContact OD1-CA 3.35Å; D250-T252 VanDerWaalsContact OD1-CB 3.27Å; D250-T252 WeakPolarHBondContact OD1-CB 3.46Å; D250-T252 PolarHBondContact OD1-N 3.35Å; D250-T252 PolarHBondContact OD1-OG1 3.46Å; D250-T252 PolarHBondContact OD2-OG1 3.35Å
251	G	93.4	Very high	91.8	Very high	5 Å²	5	18.8 Å²	18.8	5%	0.052	10%	0.103	C	C	.	.	S	Bend	trans	78.5	4.7	-178.6	0	0	0	0	0	114.4	S248 E272	S248-G251 PolarHBondContact O-N 3.09Å; S248-G251 VanDerWaalsContact O-N 3.12Å; G251-E272 WeakPolarHBondContact CA-O 3.26Å
252	T	95.4	Very high	91.9	Very high	18 Å²	18	26.5 Å²	26.5	11%	0.11	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.8	178.4	74.3	0	0	0	0	112	H228 S248 D250 T266 L267 N268	H228-T252 PolarHBondContact CE1-OG1 3.33Å; H228-T252 PolarHBondContact ND1-OG1 3.48Å; S248-T252 PolarHBondContact N-O 3.47Å; D250-T252 VanDerWaalsContact CG-OG1 3.26Å; D250-T252 PolarHBondContact O-N 3.36Å; D250-T252 WeakPolarHBondContact OD1-CA 3.35Å; D250-T252 VanDerWaalsContact OD1-CB 3.27Å; D250-T252 WeakPolarHBondContact OD1-CB 3.46Å; D250-T252 PolarHBondContact OD1-N 3.35Å; D250-T252 PolarHBondContact OD1-OG1 3.46Å; D250-T252 PolarHBondContact OD2-OG1 3.35Å; T252-T266 HydrophobicContact CG2-CG2 4.11Å; T252-L267 WeakPolarHBondContact CA-O 3.32Å; T252-N268 HydrophobicContact CG2-CB 4.46Å
253	V	95.9	Very high	92.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.4	165.7	176.9	0	0	0	0	107.7	I245 T246 L267 V274 L288 Y290	I245-V253 HydrophobicContact CG2-CG1 3.7Å; T246-V253 CarbonylContact O-C 3.58Å; T246-V253 VanDerWaalsContact O-CA 3.28Å; T246-V253 WeakPolarHBondContact O-CA 3.28Å; V253-L267 HydrophobicContact CB-CB 4.29Å; V253-L267 PolarHBondContact N-O 3.37Å; V253-L267 PolarHBondContact O-N 3.12Å; V253-V274 HydrophobicContact CG2-CG1 4.13Å; V253-V274 HydrophobicContact CG2-CG2 3.61Å; V253-L288 HydrophobicContact CG1-CD1 4.35Å; V253-L288 HydrophobicContact CG1-CD2 4.15Å; V253-L288 HydrophobicContact CG2-CD1 4.06Å; V253-L288 HydrophobicContact CG2-CD2 4.08Å; V253-Y290 VanDerWaalsContact CG2-OH 3.32Å; V253-Y290 WeakPolarHBondContact CG2-OH 3.47Å
254	R	95.2	Very high	91.9	Very high	37 Å²	37	31.7 Å²	31.7	14%	0.14	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	-179	-68.5	-176.8	-172.1	-151.8	6.5	110.5	G227 I245 T246 W256 L263 T266	G227-R254 VanDerWaalsContact CA-NH1 3.26Å; G227-R254 PolarHBondContact O-NH1 3.32Å; G227-R254 PolarHBondContact O-NH2 3.31Å; I245-R254 WeakPolarHBondContact CA-O 3.36Å; T246-R254 PolarHBondContact N-O 3.36Å; T246-R254 PolarHBondContact O-N 3.09Å; R254-W256 HydrophobicContact CB-CZ2 4.18Å; R254-L263 HydrophobicContact CB-CD1 3.68Å; R254-L263 HydrophobicContact CG-CD1 3.93Å; R254-T266 HydrophobicContact CG-CG2 4.05Å
255	I	94.1	Very high	91.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.8	176.1	-57.7	176.1	0	0	0	107.4	L5 I7 I243 I244 E264 S265 L267 L299	L5-I255 HydrophobicContact CD1-CD1 4.22Å; L5-I255 HydrophobicContact CD1-CG2 3.89Å; I7-I255 HydrophobicContact CD1-CD1 3.76Å; I243-I255 HydrophobicContact CB-CG2 3.99Å; I243-I255 HydrophobicContact CD1-CG2 4.05Å; I243-I255 HydrophobicContact CG1-CG2 4.48Å; I243-I255 HydrophobicContact CG2-CG2 4.22Å; I244-I255 WeakPolarHBondContact O-CA 3.46Å; I255-E264 PolarHBondContact O-N 3.48Å; I255-S265 PolarHBondContact N-O 2.93Å; I255-S265 PolarHBondContact O-N 3.37Å; I255-L267 HydrophobicContact CD1-CD1 3.93Å; I255-L299 HydrophobicContact CD1-CD2 3.98Å
256	W	92.4	Very high	91.5	Very high	11 Å²	11	36.5 Å²	36.5	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.5	178.5	-44.6	75.9	0	0	0	109.8	L225 E226 I243 I244 T246 R254 R262 L263	L225-W256 HydrophobicContact CB-CD2 4.47Å; L225-W256 HydrophobicContact CB-CE3 4.33Å; L225-W256 HydrophobicContact CB-CH2 4.3Å; L225-W256 HydrophobicContact CB-CZ2 4.43Å; L225-W256 HydrophobicContact CB-CZ3 4.23Å; L225-W256 HydrophobicContact CD1-CB 4.47Å; L225-W256 HydrophobicContact CD1-CD2 4.08Å; L225-W256 HydrophobicContact CD1-CE3 4.47Å; L225-W256 HydrophobicContact CD1-CG 4.05Å; L225-W256 HydrophobicContact CD2-CE3 4.25Å; E226-W256 WeakPolarHBondContact O-CH2 3.46Å; I243-W256 CarbonylContact C-O 3.53Å; I243-W256 VanDerWaalsContact CA-O 3.24Å; I243-W256 WeakPolarHBondContact CA-O 3.42Å; I243-W256 WeakPolarHBondContact CB-O 3.4Å; I244-W256 HydrophobicContact CB-CB 4.16Å; I244-W256 PolarHBondContact N-O 2.88Å; I244-W256 PolarHBondContact O-N 3.17Å; T246-W256 PolarHBondContact OG1-NE1 3.14Å; R254-W256 HydrophobicContact CB-CZ2 4.18Å; W256-R262 VanDerWaalsContact CA-O 3.29Å; W256-R262 WeakPolarHBondContact CA-O 3.35Å; W256-L263 HydrophobicContact CD2-CD1 4.1Å; W256-L263 HydrophobicContact CE3-CB 3.86Å; W256-L263 HydrophobicContact CE3-CD1 4.26Å; W256-L263 HydrophobicContact CH2-CB 4.29Å; W256-L263 HydrophobicContact CH2-CD1 4.25Å; W256-L263 HydrophobicContact CZ2-CD1 4.1Å; W256-L263 HydrophobicContact CZ3-CB 3.74Å; W256-L263 HydrophobicContact CZ3-CD1 4.34Å
257	H	88.6	Confident	91.3	Very high	17 Å²	17	37.4 Å²	37.4	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.5	172.1	-169.3	-61	0	0	0	110.6	S259 T260 Y261 R262 E264	H257-S259 PolarHBondContact ND1-N 3.5Å; H257-S259 PolarHBondContact O-N 3.27Å; H257-T260 VanDerWaalsContact CB-OG1 3.27Å; H257-T260 WeakPolarHBondContact CB-OG1 3.49Å; H257-T260 PolarHBondContact ND1-N 3.17Å; H257-Y261 WeakPolarHBondContact O-CA 3.16Å; H257-Y261 PolarHBondContact O-N 3.17Å; H257-R262 PolarHBondContact N-O 3.22Å; H257-E264 HydrophobicContact CB-CG 4.03Å; H257-E264 IonicContact CD2-OE1 2.76Å
258	S	85.5	Confident	91.2	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.063	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.3	-175.8	63.7	0	0	0	0	115	P242 Y261	P242-S258 VanDerWaalsContact C-CB 3.49Å; P242-S258 WeakPolarHBondContact CA-OG 3.31Å; P242-S258 WeakPolarHBondContact CB-OG 3.39Å; P242-S258 WeakPolarHBondContact O-CB 3.38Å; P242-S258 PolarHBondContact O-N 3.3Å; P242-S258 PolarHBondContact O-OG 3.07Å; S258-Y261 WeakPolarHBondContact O-CE1 3.42Å
259	S	82.9	Confident	90.9	Very high	60 Å²	60	44.6 Å²	44.6	42%	0.42	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-44.8	176.9	-55.2	0	0	0	0	114.2	H257	H257-S259 PolarHBondContact ND1-N 3.5Å; H257-S259 PolarHBondContact O-N 3.27Å
260	T	84.4	Confident	90.6	Very high	71 Å²	71	44.3 Å²	44.3	44%	0.436	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-14.9	-175.5	68.7	0	0	0	0	113.3	H257 R262	H257-T260 VanDerWaalsContact CB-OG1 3.27Å; H257-T260 WeakPolarHBondContact CB-OG1 3.49Å; H257-T260 PolarHBondContact ND1-N 3.17Å; T260-R262 PolarHBondContact O-N 2.98Å; T260-R262 VanDerWaalsContact O-N 3.11Å
261	Y	89.3	Confident	90.5	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.153	23%	0.229	C	C	.	.			trans	59	18	-178.6	-54.7	-56.2	0	0	0	114.7	I213 Q223 L225 I244 H257 S258	I213-Y261 HydrophobicContact CD1-CD1 3.39Å; I213-Y261 HydrophobicContact CD1-CE1 3.09Å; I213-Y261 HydrophobicContact CD1-CG 4.45Å; I213-Y261 HydrophobicContact CG1-CE1 4.49Å; Q223-Y261 HydrophobicContact CB-CD2 3.93Å; Q223-Y261 HydrophobicContact CB-CE2 4.01Å; Q223-Y261 HydrophobicContact CB-CG 4.25Å; Q223-Y261 HydrophobicContact CG-CD2 3.71Å; Q223-Y261 HydrophobicContact CG-CE2 4.31Å; Q223-Y261 HydrophobicContact CG-CG 3.81Å; L225-Y261 HydrophobicContact CD2-CD1 4.21Å; L225-Y261 HydrophobicContact CD2-CG 4.22Å; I244-Y261 HydrophobicContact CD1-CD1 4.27Å; I244-Y261 HydrophobicContact CD1-CE1 4.35Å; H257-Y261 WeakPolarHBondContact O-CA 3.16Å; H257-Y261 PolarHBondContact O-N 3.17Å; S258-Y261 WeakPolarHBondContact O-CE1 3.42Å
262	R	88.8	Confident	90.5	Very high	180 Å²	180	48.2 Å²	48.2	68%	0.679	25%	0.253	S	S	*	.			trans	-82.9	147.9	176.4	-66.2	-178.9	179	172.5	0.2	110.4	W256 H257 T260 E264	W256-R262 VanDerWaalsContact CA-O 3.29Å; W256-R262 WeakPolarHBondContact CA-O 3.35Å; H257-R262 PolarHBondContact N-O 3.22Å; T260-R262 PolarHBondContact O-N 2.98Å; T260-R262 VanDerWaalsContact O-N 3.11Å; R262-E264 PolarHBondContact O-N 3.13Å
263	L	89.6	Confident	90.5	Very high	72 Å²	72	50.6 Å²	50.6	38%	0.377	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	117.3	171.7	-179.3	62.9	0	0	0	109.1	R254 W256	R254-L263 HydrophobicContact CB-CD1 3.68Å; R254-L263 HydrophobicContact CG-CD1 3.93Å; W256-L263 HydrophobicContact CD2-CD1 4.1Å; W256-L263 HydrophobicContact CE3-CB 3.86Å; W256-L263 HydrophobicContact CE3-CD1 4.26Å; W256-L263 HydrophobicContact CH2-CB 4.29Å; W256-L263 HydrophobicContact CH2-CD1 4.25Å; W256-L263 HydrophobicContact CZ2-CD1 4.1Å; W256-L263 HydrophobicContact CZ3-CB 3.74Å; W256-L263 HydrophobicContact CZ3-CD1 4.34Å
264	E	86.5	Confident	90.5	Very high	47 Å²	47	50.5 Å²	50.5	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-49.4	-179.5	-67	-66.6	158.2	0	0	111	P2 L3 I255 H257 R262	P2-E264 WeakPolarHBondContact CA-OE2 3.35Å; P2-E264 WeakPolarHBondContact CB-OE2 3.39Å; L3-E264 PolarHBondContact N-OE2 3.06Å; I255-E264 PolarHBondContact O-N 3.48Å; H257-E264 HydrophobicContact CB-CG 4.03Å; H257-E264 IonicContact CD2-OE1 2.76Å; R262-E264 PolarHBondContact O-N 3.13Å
265	S	88.9	Confident	90.6	Very high	38 Å²	38	51 Å²	51	27%	0.266	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.2	-177.6	-172.7	0	0	0	0	111.7	I255	I255-S265 PolarHBondContact N-O 2.93Å; I255-S265 PolarHBondContact O-N 3.37Å
266	T	92.3	Very high	90.6	Very high	66 Å²	66	51.6 Å²	51.6	41%	0.405	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.6	171.3	-58.5	0	0	0	0	108.3	T252 R254	T252-T266 HydrophobicContact CG2-CG2 4.11Å; R254-T266 HydrophobicContact CG-CG2 4.05Å
267	L	92.2	Very high	90.7	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.9	179.6	-56.5	175.5	0	0	0	108.9	I7 T252 V253 I255 Y269	I7-L267 HydrophobicContact CD1-CD1 4.42Å; I7-L267 HydrophobicContact CD1-CD2 3.97Å; I7-L267 HydrophobicContact CG2-CD1 4.34Å; I7-L267 HydrophobicContact CG2-CD2 4.3Å; T252-L267 WeakPolarHBondContact CA-O 3.32Å; V253-L267 HydrophobicContact CB-CB 4.29Å; V253-L267 PolarHBondContact N-O 3.37Å; V253-L267 PolarHBondContact O-N 3.12Å; I255-L267 HydrophobicContact CD1-CD1 3.93Å; L267-Y269 HydrophobicContact CB-CE2 4.15Å; L267-Y269 HydrophobicContact CD1-CE2 4.4Å
268	N	92.8	Very high	91	Very high	101 Å²	101	52 Å²	52	54%	0.54	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118.9	169.8	-174.6	-16.3	0	0	0	108.1	T252 G270	T252-N268 HydrophobicContact CG2-CB 4.46Å; N268-G270 PolarHBondContact OD1-N 3.24Å
269	Y	89.9	Confident	91.2	Very high	51 Å²	51	52.9 Å²	52.9	20%	0.2	28%	0.278	C	S	.	.			trans	-105.7	3.6	-178.2	-62.7	-59.3	0	0	0	113.5	R9 L267 M271 L288 Y290 I295 V297	R9-Y269 HydrophobicContact CG-CE1 4.05Å; L267-Y269 HydrophobicContact CB-CE2 4.15Å; L267-Y269 HydrophobicContact CD1-CE2 4.4Å; Y269-M271 PolarHBondContact O-N 3.43Å; Y269-L288 HydrophobicContact CE2-CD1 4.37Å; Y269-Y290 WeakPolarHBondContact CD2-OH 3.45Å; Y269-I295 VanDerWaalsContact CB-CD1 3.47Å; Y269-I295 HydrophobicContact CD2-CD1 3.59Å; Y269-I295 HydrophobicContact CD2-CG2 4.42Å; Y269-I295 HydrophobicContact CE2-CD1 4.46Å; Y269-I295 HydrophobicContact CE2-CG2 4.32Å; Y269-I295 HydrophobicContact CG-CD1 3.63Å; Y269-V297 HydrophobicContact CE2-CG2 4Å
270	G	90.8	Very high	91.3	Very high	46 Å²	46	51.6 Å²	51.6	47%	0.474	27%	0.266	S	S	.	.	S	Bend	trans	67.1	30.7	177	0	0	0	0	0	114.6	N268	N268-G270 PolarHBondContact OD1-N 3.24Å
271	M	90.8	Very high	91	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.025	27%	0.272	C	S	.	.	S	Bend	trans	-103.7	23.6	176.2	-63.4	-71.1	-147.3	0	0	111.9	T12 R14 Y269 Y290 D291 E292 I295	T12-M271 HydrophobicContact CG2-CE 3.44Å; T12-M271 VanDerWaalsContact CG2-CE 3.44Å; R14-M271 HydrophobicContact CG-CE 3.79Å; R14-M271 HydrophobicContact CG-SD 4.27Å; Y269-M271 PolarHBondContact O-N 3.43Å; M271-Y290 HydrophobicContact CB-CD1 3.66Å; M271-Y290 HydrophobicContact CB-CD2 4.2Å; M271-Y290 HydrophobicContact CB-CE1 4.36Å; M271-Y290 HydrophobicContact CB-CG 3.57Å; M271-Y290 HydrophobicContact CG-CG 4.43Å; M271-Y290 WeakPolarHBondContact O-CB 3.33Å; M271-D291 PolarHBondContact O-N 3.5Å; M271-E292 HydrophobicContact CB-CB 4.38Å; M271-E292 PolarHBondContact O-N 3.09Å; M271-E292 HydrophobicContact SD-CB 4.03Å; M271-I295 HydrophobicContact CE-CD1 4.4Å; M271-I295 HydrophobicContact CG-CD1 4.07Å
272	E	94.3	Very high	90.5	Very high	120 Å²	120	54.6 Å²	54.6	56%	0.561	28%	0.276	S	S	*	.			trans	59.6	-143.9	-173.5	-60.8	-62.6	153.5	0	0	112.5	G251 D291	G251-E272 WeakPolarHBondContact CA-O 3.26Å; E272-D291 HydrophobicContact CB-CB 3.78Å
273	R	95.8	Very high	90.2	Very high	68 Å²	68	46.6 Å²	46.6	26%	0.257	25%	0.247	S	C	.	.			trans	-65.8	142.3	-169.6	-62.8	-179.5	-69.6	177.2	-3.5	113	E249 Y290 D291	E249-R273 HydrophobicContact CB-CG 4.1Å; E249-R273 WeakPolarHBondContact O-CG 2.96Å; E249-R273 IonicContact OE2-NH1 3.13Å; R273-Y290 CarbonylContact O-C 3.5Å; R273-Y290 WeakPolarHBondContact O-CA 3.17Å; R273-D291 IonicContact CZ-OD2 3.91Å; R273-D291 VanDerWaalsContact CZ-OD2 3.27Å; R273-D291 IonicContact NE-OD1 3.99Å; R273-D291 IonicContact NE-OD2 2.81Å; R273-D291 PolarHBondContact NE-OD2 3.05Å; R273-D291 IonicContact NH2-OD1 2.85Å; R273-D291 PolarHBondContact NH2-OD1 3.28Å; R273-D291 IonicContact NH2-OD2 2.76Å; R273-D291 PolarHBondContact NH2-OD2 3.4Å; R273-D291 PolarHBondContact O-N 2.89Å
274	V	96.7	Very high	90.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	142	169.9	-170.6	0	0	0	0	108.8	S233 S248 V253 Y290	S233-V274 WeakPolarHBondContact CB-O 3.3Å; S233-V274 PolarHBondContact OG-O 2.95Å; S248-V274 PolarHBondContact O-N 2.94Å; V253-V274 HydrophobicContact CG2-CG1 4.13Å; V253-V274 HydrophobicContact CG2-CG2 3.61Å; V274-Y290 HydrophobicContact CB-CE1 4.45Å; V274-Y290 HydrophobicContact CG2-CD1 3.94Å; V274-Y290 HydrophobicContact CG2-CE1 3.44Å; V274-Y290 VanDerWaalsContact CG2-CE1 3.44Å
275	W	95.9	Very high	90.3	Very high	48 Å²	48	41.5 Å²	41.5	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-38.8	177.5	-68.1	109	0	0	0	113.8	V18 G289 D291	V18-W275 WeakPolarHBondContact O-CB 3.3Å; W275-G289 PolarHBondContact N-O 3.39Å; W275-D291 PolarHBondContact NE1-OD1 3.22Å
276	C	94.3	Very high	90.6	Very high	15 Å²	15	39.8 Å²	39.8	10%	0.101	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.4	-171.9	54.5	0	0	0	0	111.8	S20 V21 G289	S20-C276 VanDerWaalsContact C-SG 3.58Å; S20-C276 WeakPolarHBondContact CA-SG 3.44Å; V21-C276 HydrophobicContact CG2-CB 4.31Å; C276-G289 PolarHBondContact O-N 3.08Å
277	V	95.6	Very high	90.7	Very high	25 Å²	25	36.7 Å²	36.7	15%	0.152	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.8	174.3	64.1	0	0	0	0	108.5	C234 I245 V286 A287 L288	C234-V277 HydrophobicContact CB-CG1 3.91Å; I245-V277 HydrophobicContact CG2-CG2 4.05Å; V277-V286 HydrophobicContact CG2-CG1 3.59Å; V277-A287 CarbonylContact C-O 3.12Å; V277-A287 WeakPolarHBondContact CA-O 3.35Å; V277-L288 HydrophobicContact CB-CD2 4.12Å; V277-L288 HydrophobicContact CG2-CD2 3.76Å
278	A	93.9	Very high	90.9	Very high	10 Å²	10	35.9 Å²	35.9	8%	0.083	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.6	168.5	0	0	0	0	0	109.6	V21 V286 A287	V21-A278 HydrophobicContact CG2-CB 3.82Å; A278-V286 CarbonylContact O-C 3.55Å; A278-V286 WeakPolarHBondContact O-CA 3.43Å; A278-A287 HydrophobicContact CB-CB 4.44Å; A278-A287 PolarHBondContact N-O 2.96Å; A278-A287 PolarHBondContact O-N 3.27Å
279	S	90.6	Very high	91.1	Very high	28 Å²	28	31.1 Å²	31.1	20%	0.196	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.6	175.9	-54.5	0	0	0	0	108.6
280	L	83.5	Confident	91.4	Very high	33 Å²	33	28.7 Å²	28.7	17%	0.173	15%	0.152	C	C	.	.			trans	-87.3	130.4	178.7	176.5	61.5	0	0	0	110.3	L23 P25 P239 S283 N285	L23-L280 HydrophobicContact CB-CB 4.02Å; L23-L280 HydrophobicContact CD1-CB 3.7Å; P25-L280 HydrophobicContact CB-CD1 4.47Å; P239-L280 WeakPolarHBondContact CG-O 3.34Å; L280-S283 PolarHBondContact O-N 3.4Å; L280-N285 PolarHBondContact N-O 2.89Å
281	R	78.8	Confident	91.6	Very high	152 Å²	152	27.7 Å²	27.7	57%	0.574	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	140.3	172.3	-62.6	-168	-170.7	171	12.8	110.2	P152 P239 S283	P152-R281 VanDerWaalsContact CB-NH2 3.27Å; P239-R281 HydrophobicContact CB-CB 4.48Å; P239-R281 HydrophobicContact CB-CG 3.95Å; P239-R281 HydrophobicContact CG-CG 4.33Å; R281-S283 PolarHBondContact O-N 2.83Å
282	G	78	Confident	91.8	Very high	22 Å²	22	31.4 Å²	31.4	23%	0.227	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-7.3	-174.3	0	0	0	0	0	114.7	E240 K578	E240-G282 PolarHBondContact OE1-N 2.84Å; E240-G282 VanDerWaalsContact OE1-N 3.07Å; G282-K578 WeakPolarHBondContact O-CD 3.17Å; G282-K578 WeakPolarHBondContact O-CE 3.49Å; G282-K578 PolarHBondContact O-NZ 3.45Å
283	S	84.1	Confident	91.9	Very high	11 Å²	11	25.7 Å²	25.7	8%	0.077	13%	0.126	C	C	.	.			trans	-119.6	160	171.5	-175.2	0	0	0	0	111	L280 R281 N285 E302	L280-S283 PolarHBondContact O-N 3.4Å; R281-S283 PolarHBondContact O-N 2.83Å; S283-N285 VanDerWaalsContact C-N 3.35Å; S283-N285 WeakPolarHBondContact OG-CB 3.48Å; S283-N285 VanDerWaalsContact OG-CG 3.23Å; S283-N285 PolarHBondContact OG-N 3.15Å; S283-N285 VanDerWaalsContact OG-N 3.14Å; S283-N285 PolarHBondContact OG-ND2 3.35Å; S283-E302 PolarHBondContact OG-OE1 3.35Å
284	N	87.5	Confident	91.8	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.114	C	C	.	.			trans	-101.2	14	169.3	-57.4	-2.5	0	0	0	111.7	L241 L299 R301 E302 K578	L241-N284 HydrophobicContact CD1-CB 4.36Å; N284-L299 WeakPolarHBondContact CB-O 3.4Å; N284-L299 PolarHBondContact ND2-O 3.21Å; N284-L299 PolarHBondContact O-N 2.85Å; N284-R301 PolarHBondContact ND2-O 3.02Å; N284-E302 HydrophobicContact CB-CG 4.35Å; N284-K578 PolarHBondContact OD1-NZ 3.46Å
285	N	90.9	Very high	91.8	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.043	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.1	174.4	-60.5	-35.7	0	0	0	109.2	K10 L280 S283 I296 V297	K10-N285 WeakPolarHBondContact CE-OD1 3.41Å; K10-N285 PolarHBondContact NZ-ND2 3.22Å; K10-N285 VanDerWaalsContact NZ-ND2 3.11Å; K10-N285 PolarHBondContact NZ-OD1 3.42Å; L280-N285 PolarHBondContact N-O 2.89Å; S283-N285 VanDerWaalsContact C-N 3.35Å; S283-N285 WeakPolarHBondContact OG-CB 3.48Å; S283-N285 VanDerWaalsContact OG-CG 3.23Å; S283-N285 PolarHBondContact OG-N 3.15Å; S283-N285 VanDerWaalsContact OG-N 3.14Å; S283-N285 PolarHBondContact OG-ND2 3.35Å; N285-I296 HydrophobicContact CB-CG2 4.19Å; N285-V297 WeakPolarHBondContact CA-O 3.49Å
286	V	93.6	Very high	91.7	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.7	176.3	179.2	0	0	0	0	108.2	I245 V277 A278 L288 I296 V297 L299	I245-V286 HydrophobicContact CD1-CB 4.45Å; I245-V286 HydrophobicContact CD1-CG1 3.97Å; I245-V286 HydrophobicContact CD1-CG2 3.74Å; V277-V286 HydrophobicContact CG2-CG1 3.59Å; A278-V286 CarbonylContact O-C 3.55Å; A278-V286 WeakPolarHBondContact O-CA 3.43Å; V286-L288 HydrophobicContact CG1-CD2 4.2Å; V286-L288 HydrophobicContact CG1-CG 4.43Å; V286-I296 WeakPolarHBondContact O-CA 3.48Å; V286-V297 PolarHBondContact N-O 2.89Å; V286-V297 PolarHBondContact O-N 3.13Å; V286-L299 HydrophobicContact CB-CD1 4.37Å; V286-L299 HydrophobicContact CG2-CD1 3.55Å; V286-L299 HydrophobicContact CG2-CG 4.19Å
287	A	95.6	Very high	91.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.6	172.1	0	0	0	0	0	110.4	V21 L23 M30 V277 A278 I295 I296	V21-A287 HydrophobicContact CB-CB 4.18Å; V21-A287 HydrophobicContact CG2-CB 4.02Å; L23-A287 HydrophobicContact CD1-CB 4.23Å; L23-A287 HydrophobicContact CD2-CB 4.02Å; L23-A287 HydrophobicContact CG-CB 4.07Å; M30-A287 HydrophobicContact CG-CB 4.25Å; M30-A287 HydrophobicContact SD-CB 3.91Å; V277-A287 CarbonylContact C-O 3.12Å; V277-A287 WeakPolarHBondContact CA-O 3.35Å; A278-A287 HydrophobicContact CB-CB 4.44Å; A278-A287 PolarHBondContact N-O 2.96Å; A278-A287 PolarHBondContact O-N 3.27Å; A287-I295 CarbonylContact C-O 3.55Å; A287-I295 WeakPolarHBondContact CA-O 3.36Å; A287-I296 HydrophobicContact CB-CG1 4.06Å
288	L	96.1	Very high	91.5	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.1	-178.8	-61.2	168.5	0	0	0	108.8	V253 Y269 V277 V286 Y290 S294 I295 V297	V253-L288 HydrophobicContact CG1-CD1 4.35Å; V253-L288 HydrophobicContact CG1-CD2 4.15Å; V253-L288 HydrophobicContact CG2-CD1 4.06Å; V253-L288 HydrophobicContact CG2-CD2 4.08Å; Y269-L288 HydrophobicContact CE2-CD1 4.37Å; V277-L288 HydrophobicContact CB-CD2 4.12Å; V277-L288 HydrophobicContact CG2-CD2 3.76Å; V286-L288 HydrophobicContact CG1-CD2 4.2Å; V286-L288 HydrophobicContact CG1-CG 4.43Å; L288-Y290 HydrophobicContact CB-CD2 4.36Å; L288-Y290 HydrophobicContact CB-CE2 3.65Å; L288-Y290 HydrophobicContact CD1-CE2 4.43Å; L288-S294 CarbonylContact O-C 3.55Å; L288-S294 VanDerWaalsContact O-CA 3.26Å; L288-S294 WeakPolarHBondContact O-CA 3.21Å; L288-I295 PolarHBondContact N-O 2.91Å; L288-I295 PolarHBondContact O-N 3.5Å; L288-V297 HydrophobicContact CD1-CG2 4.07Å
289	G	96.2	Very high	91.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.3	174.8	0	0	0	0	0	112	W275 C276	W275-G289 PolarHBondContact N-O 3.39Å; C276-G289 PolarHBondContact O-N 3.08Å
290	Y	96.9	Very high	90.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	174.2	-174.5	-70.7	-91.8	0	0	0	112.1	V18 V253 Y269 M271 R273 V274 L288 G293 I295	V18-Y290 PolarHBondContact N-O 2.92Å; V253-Y290 VanDerWaalsContact CG2-OH 3.32Å; V253-Y290 WeakPolarHBondContact CG2-OH 3.47Å; Y269-Y290 WeakPolarHBondContact CD2-OH 3.45Å; M271-Y290 HydrophobicContact CB-CD1 3.66Å; M271-Y290 HydrophobicContact CB-CD2 4.2Å; M271-Y290 HydrophobicContact CB-CE1 4.36Å; M271-Y290 HydrophobicContact CB-CG 3.57Å; M271-Y290 HydrophobicContact CG-CG 4.43Å; M271-Y290 WeakPolarHBondContact O-CB 3.33Å; R273-Y290 CarbonylContact O-C 3.5Å; R273-Y290 WeakPolarHBondContact O-CA 3.17Å; V274-Y290 HydrophobicContact CB-CE1 4.45Å; V274-Y290 HydrophobicContact CG2-CD1 3.94Å; V274-Y290 HydrophobicContact CG2-CE1 3.44Å; V274-Y290 VanDerWaalsContact CG2-CE1 3.44Å; L288-Y290 HydrophobicContact CB-CD2 4.36Å; L288-Y290 HydrophobicContact CB-CE2 3.65Å; L288-Y290 HydrophobicContact CD1-CE2 4.43Å; Y290-G293 WeakPolarHBondContact CA-O 3.2Å; Y290-G293 WeakPolarHBondContact CB-O 3.43Å; Y290-G293 PolarHBondContact N-O 3.36Å; Y290-I295 HydrophobicContact CD2-CD1 4.36Å; Y290-I295 HydrophobicContact CD2-CG1 4.36Å; Y290-I295 HydrophobicContact CE2-CB 4.23Å; Y290-I295 HydrophobicContact CE2-CD1 3.93Å; Y290-I295 HydrophobicContact CE2-CG1 4.15Å
291	D	95.6	Very high	90.4	Very high	25 Å²	25	25.7 Å²	25.7	13%	0.134	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-37.3	169.8	-98.9	-8.9	0	0	0	113.1	R17 M271 E272 R273 W275	R17-D291 WeakPolarHBondContact CA-O 3.28Å; R17-D291 WeakPolarHBondContact CD-OD1 3.4Å; R17-D291 WeakPolarHBondContact CG-OD1 3.29Å; R17-D291 IonicContact CZ-OD1 2.79Å; R17-D291 PolarHBondContact N-O 2.99Å; R17-D291 VanDerWaalsContact N-O 3.11Å; R17-D291 IonicContact NE-OD1 3.27Å; R17-D291 PolarHBondContact NE-OD1 3.09Å; R17-D291 IonicContact NH2-OD1 3.62Å; R17-D291 IonicContact NH2-OD2 2.65Å; M271-D291 PolarHBondContact O-N 3.5Å; E272-D291 HydrophobicContact CB-CB 3.78Å; R273-D291 IonicContact CZ-OD2 3.91Å; R273-D291 VanDerWaalsContact CZ-OD2 3.27Å; R273-D291 IonicContact NE-OD1 3.99Å; R273-D291 IonicContact NE-OD2 2.81Å; R273-D291 PolarHBondContact NE-OD2 3.05Å; R273-D291 IonicContact NH2-OD1 2.85Å; R273-D291 PolarHBondContact NH2-OD1 3.28Å; R273-D291 IonicContact NH2-OD2 2.76Å; R273-D291 PolarHBondContact NH2-OD2 3.4Å; R273-D291 PolarHBondContact O-N 2.89Å; W275-D291 PolarHBondContact NE1-OD1 3.22Å
292	E	95.2	Very high	90.3	Very high	83 Å²	83	20.5 Å²	20.5	39%	0.388	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	16.9	-178.9	-61.4	-162.5	160.3	0	0	114.3	R14 S15 M271	R14-E292 WeakPolarHBondContact CA-O 2.97Å; S15-E292 PolarHBondContact N-O 2.68Å; S15-E292 CarbonylContact O-C 3.56Å; M271-E292 HydrophobicContact CB-CB 4.38Å; M271-E292 PolarHBondContact O-N 3.09Å; M271-E292 HydrophobicContact SD-CB 4.03Å
293	G	94.6	Very high	90.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.7	-149.4	172.1	0	0	0	0	0	115.3	A13 S15 V18 Y290	A13-G293 CarbonylContact O-C 3.57Å; A13-G293 VanDerWaalsContact O-CA 3.3Å; A13-G293 WeakPolarHBondContact O-CA 3.14Å; S15-G293 PolarHBondContact O-N 2.91Å; S15-G293 WeakPolarHBondContact OG-CA 3.4Å; V18-G293 VanDerWaalsContact CG2-C 3.47Å; V18-G293 WeakPolarHBondContact CG2-O 3.43Å; Y290-G293 WeakPolarHBondContact CA-O 3.2Å; Y290-G293 WeakPolarHBondContact CB-O 3.43Å; Y290-G293 PolarHBondContact N-O 3.36Å
294	S	95.1	Very high	90.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150	-177.4	52.9	0	0	0	0	112.3	A13 M30 L288	A13-S294 PolarHBondContact N-O 3.49Å; A13-S294 PolarHBondContact O-N 3.16Å; M30-S294 VanDerWaalsContact CE-OG 3.24Å; M30-S294 WeakPolarHBondContact CE-OG 3.39Å; L288-S294 CarbonylContact O-C 3.55Å; L288-S294 VanDerWaalsContact O-CA 3.26Å; L288-S294 WeakPolarHBondContact O-CA 3.21Å
295	I	95.3	Very high	90.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.1	-179.4	-62.5	-179.9	0	0	0	108.7	L11 T12 Y269 M271 A287 L288 Y290 V297	L11-I295 WeakPolarHBondContact O-CA 3.33Å; L11-I295 WeakPolarHBondContact O-CG2 3.42Å; T12-I295 HydrophobicContact CG2-CD1 4.41Å; T12-I295 HydrophobicContact CG2-CG1 4.15Å; Y269-I295 VanDerWaalsContact CB-CD1 3.47Å; Y269-I295 HydrophobicContact CD2-CD1 3.59Å; Y269-I295 HydrophobicContact CD2-CG2 4.42Å; Y269-I295 HydrophobicContact CE2-CD1 4.46Å; Y269-I295 HydrophobicContact CE2-CG2 4.32Å; Y269-I295 HydrophobicContact CG-CD1 3.63Å; M271-I295 HydrophobicContact CE-CD1 4.4Å; M271-I295 HydrophobicContact CG-CD1 4.07Å; A287-I295 CarbonylContact C-O 3.55Å; A287-I295 WeakPolarHBondContact CA-O 3.36Å; L288-I295 PolarHBondContact N-O 2.91Å; L288-I295 PolarHBondContact O-N 3.5Å; Y290-I295 HydrophobicContact CD2-CD1 4.36Å; Y290-I295 HydrophobicContact CD2-CG1 4.36Å; Y290-I295 HydrophobicContact CE2-CB 4.23Å; Y290-I295 HydrophobicContact CE2-CD1 3.93Å; Y290-I295 HydrophobicContact CE2-CG1 4.15Å; I295-V297 HydrophobicContact CG2-CG2 3.77Å
296	I	95.2	Very high	90.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130	166.6	-62.8	165.3	0	0	0	109.1	K10 L11 L23 M30 H44 N285 V286 A287	K10-I296 HydrophobicContact CB-CB 4.45Å; K10-I296 HydrophobicContact CB-CG2 4.2Å; K10-I296 PolarHBondContact N-O 3.48Å; L11-I296 HydrophobicContact CB-CB 4.12Å; L11-I296 HydrophobicContact CB-CD1 4.13Å; L11-I296 HydrophobicContact CB-CG1 4.37Å; L11-I296 HydrophobicContact CD2-CD1 3.86Å; L11-I296 PolarHBondContact N-O 3.4Å; L11-I296 PolarHBondContact O-N 2.94Å; L23-I296 HydrophobicContact CD2-CD1 4.35Å; M30-I296 HydrophobicContact CB-CD1 3.64Å; M30-I296 HydrophobicContact CE-CD1 4.14Å; M30-I296 HydrophobicContact CE-CG1 4.4Å; M30-I296 HydrophobicContact CG-CD1 4.07Å; M30-I296 HydrophobicContact CG-CG1 4.48Å; M30-I296 HydrophobicContact SD-CD1 3.54Å; M30-I296 VanDerWaalsContact SD-CD1 3.54Å; M30-I296 HydrophobicContact SD-CG1 3.49Å; M30-I296 WeakPolarHBondContact SD-CG1 3.28Å; H44-I296 HydrophobicContact CB-CD1 3.23Å; N285-I296 HydrophobicContact CB-CG2 4.19Å; V286-I296 WeakPolarHBondContact O-CA 3.48Å; A287-I296 HydrophobicContact CB-CG1 4.06Å
297	V	93.3	Very high	90.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.5	179.8	-174.5	0	0	0	0	108.6	I7 K8 Y269 N285 V286 L288 I295 L299	I7-V297 HydrophobicContact CG2-CG1 3.29Å; K8-V297 CarbonylContact O-C 3.57Å; K8-V297 WeakPolarHBondContact O-CA 3.38Å; Y269-V297 HydrophobicContact CE2-CG2 4Å; N285-V297 WeakPolarHBondContact CA-O 3.49Å; V286-V297 PolarHBondContact N-O 2.89Å; V286-V297 PolarHBondContact O-N 3.13Å; L288-V297 HydrophobicContact CD1-CG2 4.07Å; I295-V297 HydrophobicContact CG2-CG2 3.77Å; V297-L299 HydrophobicContact CG1-CD2 3.82Å
298	K	90.9	Very high	90.3	Very high	49 Å²	49	25.9 Å²	25.9	21%	0.213	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.6	168	-175.3	-178.1	-172.9	162.7	0	108.6	K8 K10 E302	K8-K298 PolarHBondContact N-O 2.69Å; K8-K298 PolarHBondContact O-N 3.14Å; K10-K298 HydrophobicContact CD-CB 4.39Å; K10-K298 HydrophobicContact CG-CB 4.29Å; K298-E302 VanDerWaalsContact CE-CD 3.4Å; K298-E302 WeakPolarHBondContact CE-OE2 3.32Å; K298-E302 IonicContact NZ-OE2 2.7Å; K298-E302 PolarHBondContact NZ-OE2 3.36Å
299	L	87.6	Confident	90	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108	178.7	-59.4	178.4	0	0	0	109.9	I7 L241 I243 I245 I255 N284 V286 V297	I7-L299 HydrophobicContact CD1-CD2 4.35Å; I7-L299 HydrophobicContact CG1-CD2 3.98Å; I7-L299 HydrophobicContact CG2-CD2 4.15Å; L241-L299 HydrophobicContact CD1-CB 3.65Å; L241-L299 WeakPolarHBondContact CD1-O 3.27Å; I243-L299 HydrophobicContact CD1-CD1 3.62Å; I245-L299 HydrophobicContact CD1-CD1 3.85Å; I255-L299 HydrophobicContact CD1-CD2 3.98Å; N284-L299 WeakPolarHBondContact CB-O 3.4Å; N284-L299 PolarHBondContact ND2-O 3.21Å; N284-L299 PolarHBondContact O-N 2.85Å; V286-L299 HydrophobicContact CB-CD1 4.37Å; V286-L299 HydrophobicContact CG2-CD1 3.55Å; V286-L299 HydrophobicContact CG2-CG 4.19Å; V297-L299 HydrophobicContact CG1-CD2 3.82Å
300	G	81.2	Confident	89.4	Confident	12 Å²	12	30 Å²	30	12%	0.124	16%	0.158	C	C	.	.	S	Bend	trans	68.8	-169.3	176.5	0	0	0	0	0	115.2	D6	D6-G300 WeakPolarHBondContact O-CA 3Å; D6-G300 PolarHBondContact O-N 2.9Å
301	R	76.9	Confident	88.8	Confident	159 Å²	159	33.8 Å²	33.8	60%	0.6	18%	0.178	S	C	*	.			trans	-81.2	144.9	-178.8	-60.5	-176.2	-176	-178.7	2.7	110.6	N284	N284-R301 PolarHBondContact ND2-O 3.02Å
302	E	76	Confident	88.3	Confident	43 Å²	43	32.6 Å²	32.6	20%	0.201	17%	0.172	C	C	.	.			trans	-94.3	3.4	176	-81.1	174.4	153.1	0	0	112.9	S283 N284 K298 Y562	S283-E302 PolarHBondContact OG-OE1 3.35Å; N284-E302 HydrophobicContact CB-CG 4.35Å; K298-E302 VanDerWaalsContact CE-CD 3.4Å; K298-E302 WeakPolarHBondContact CE-OE2 3.32Å; K298-E302 IonicContact NZ-OE2 2.7Å; K298-E302 PolarHBondContact NZ-OE2 3.36Å; E302-Y562 PolarHBondContact O-OH 3.25Å
303	E	82.6	Confident	88	Confident	65 Å²	65	31.6 Å²	31.6	30%	0.304	17%	0.166	S	C	.	.			trans	-66.7	128.9	174.5	-76.6	159.2	-154	0	0	110.4	Y562	E303-Y562 HydrophobicContact CB-CE1 4.26Å; E303-Y562 HydrophobicContact CG-CD1 4.21Å; E303-Y562 HydrophobicContact CG-CE1 3.52Å
304	P	86.1	Confident	87.9	Confident	21 Å²	21	31.6 Å²	31.6	14%	0.136	17%	0.166	C	C	.	.			trans	-71	141.8	174.9	26.9	-31.5	0	0	0	111.1	M306 Y562	P304-M306 VanDerWaalsContact C-N 3.27Å; P304-M306 HydrophobicContact CB-CE 3.63Å; P304-M306 HydrophobicContact CB-CG 4.01Å; P304-M306 HydrophobicContact CB-SD 4.26Å; P304-M306 HydrophobicContact CG-CE 3.71Å; P304-M306 HydrophobicContact CG-CG 3.87Å; P304-M306 HydrophobicContact CG-SD 3.84Å; P304-M306 PolarHBondContact O-N 3.35Å; P304-Y562 HydrophobicContact CG-CD2 3.64Å; P304-Y562 HydrophobicContact CG-CE2 4.14Å; P304-Y562 HydrophobicContact CG-CG 4.02Å
305	A	87.8	Confident	87.7	Confident	14 Å²	14	31.7 Å²	31.7	12%	0.116	17%	0.167	C	C	.	.			trans	-77.8	78.8	172.9	0	0	0	0	0	109.7	W316 A317 I358	A305-W316 CarbonylContact O-C 3.59Å; A305-W316 WeakPolarHBondContact O-CA 3.4Å; A305-A317 HydrophobicContact CB-CB 4.42Å; A305-A317 PolarHBondContact O-N 2.94Å; A305-I358 HydrophobicContact CB-CD1 4.31Å; A305-I358 HydrophobicContact CB-CG1 4.16Å
306	M	90.7	Very high	87.5	Confident	20 Å²	20	32.1 Å²	32.1	10%	0.099	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.4	-179.8	59.3	172.4	61.3	0	0	111.7	P304 I315 W316 L564 D577 L580	P304-M306 VanDerWaalsContact C-N 3.27Å; P304-M306 HydrophobicContact CB-CE 3.63Å; P304-M306 HydrophobicContact CB-CG 4.01Å; P304-M306 HydrophobicContact CB-SD 4.26Å; P304-M306 HydrophobicContact CG-CE 3.71Å; P304-M306 HydrophobicContact CG-CG 3.87Å; P304-M306 HydrophobicContact CG-SD 3.84Å; P304-M306 PolarHBondContact O-N 3.35Å; M306-I315 WeakPolarHBondContact CA-O 3.48Å; M306-W316 HydrophobicContact CB-CB 3.79Å; M306-L564 HydrophobicContact CB-CD2 4.14Å; M306-L564 HydrophobicContact CG-CD2 3.65Å; M306-L564 HydrophobicContact SD-CD1 4.1Å; M306-L564 HydrophobicContact SD-CD2 3.47Å; M306-L564 WeakPolarHBondContact SD-CD2 3.34Å; M306-L564 HydrophobicContact SD-CG 3.96Å; M306-D577 WeakPolarHBondContact CE-O 3.4Å; M306-L580 HydrophobicContact CE-CD2 3.65Å
307	S	91.4	Very high	87.2	Confident	21 Å²	21	32.7 Å²	32.7	15%	0.147	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.6	174.2	-178.6	0	0	0	0	110.3	I314 I315 I358 H360	S307-I314 WeakPolarHBondContact O-CA 3.47Å; S307-I315 PolarHBondContact N-O 2.9Å; S307-I315 PolarHBondContact O-N 3.22Å; S307-I358 WeakPolarHBondContact CB-O 3.44Å; S307-H360 VanDerWaalsContact CB-ND1 3.31Å; S307-H360 WeakPolarHBondContact CB-ND1 3.29Å; S307-H360 PolarHBondContact O-CE1 3.14Å; S307-H360 PolarHBondContact O-ND1 3.08Å; S307-H360 PolarHBondContact OG-N 3.18Å; S307-H360 PolarHBondContact OG-ND1 3.27Å
308	M	91.2	Very high	86.6	Confident	21 Å²	21	37.6 Å²	37.6	10%	0.103	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.6	177.4	-174.6	170.1	74.1	0	0	110.6	K313 I314 L327 L564 G565 I567 Y574	M308-K313 CarbonylContact C-O 3.58Å; M308-K313 WeakPolarHBondContact CA-O 3.23Å; M308-I314 HydrophobicContact CB-CG1 4.04Å; M308-I314 HydrophobicContact CG-CG1 3.7Å; M308-I314 HydrophobicContact SD-CD1 4.04Å; M308-I314 HydrophobicContact SD-CG1 3.8Å; M308-L327 HydrophobicContact SD-CD1 3.59Å; M308-L327 VanDerWaalsContact SD-CD1 3.59Å; M308-L564 HydrophobicContact CB-CB 4.09Å; M308-L564 HydrophobicContact CE-CB 4.28Å; M308-L564 HydrophobicContact SD-CB 4.41Å; M308-G565 VanDerWaalsContact CE-C 3.44Å; M308-I567 HydrophobicContact CE-CG1 4.38Å; M308-Y574 HydrophobicContact CE-CD2 4.21Å; M308-Y574 HydrophobicContact SD-CD2 4.41Å; M308-Y574 HydrophobicContact SD-CG 4.49Å
309	D	89.6	Confident	86	Confident	9 Å²	9	36.5 Å²	36.5	5%	0.048	19%	0.19	C	C	.	.			trans	-82.1	164.5	170.2	82.7	-4.4	0	0	0	111.8	N311 G312 K313	D309-N311 PolarHBondContact O-N 2.97Å; D309-N311 VanDerWaalsContact OD1-CA 3.28Å; D309-N311 WeakPolarHBondContact OD1-CA 3.34Å; D309-N311 WeakPolarHBondContact OD1-CB 3.47Å; D309-N311 PolarHBondContact OD1-N 3.41Å; D309-G312 PolarHBondContact O-N 3.39Å; D309-G312 VanDerWaalsContact O-N 3.07Å; D309-G312 PolarHBondContact OD1-N 3.07Å; D309-K313 PolarHBondContact N-O 3.45Å; D309-K313 WeakPolarHBondContact OD1-CB 3.48Å; D309-K313 PolarHBondContact OD1-N 3.4Å; D309-K313 WeakPolarHBondContact OD2-CD 3.45Å
310	A	83.8	Confident	85.6	Confident	81 Å²	81	38.4 Å²	38.4	67%	0.669	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.7	177	0	0	0	0	0	114.3
311	N	84.5	Confident	85.7	Confident	80 Å²	80	41 Å²	41	43%	0.428	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	1.3	178.6	-72.7	-58.3	0	0	0	113.3	D309 K328	D309-N311 PolarHBondContact O-N 2.97Å; D309-N311 VanDerWaalsContact OD1-CA 3.28Å; D309-N311 WeakPolarHBondContact OD1-CA 3.34Å; D309-N311 WeakPolarHBondContact OD1-CB 3.47Å; D309-N311 PolarHBondContact OD1-N 3.41Å; N311-K328 WeakPolarHBondContact O-CE 3.49Å
312	G	85	Confident	86.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	81.6	22.6	-179	0	0	0	0	0	115.4	D309 L327	D309-G312 PolarHBondContact O-N 3.39Å; D309-G312 VanDerWaalsContact O-N 3.07Å; D309-G312 PolarHBondContact OD1-N 3.07Å; G312-L327 WeakPolarHBondContact O-CB 3.15Å; G312-L327 VanDerWaalsContact O-CG 3.28Å; G312-L327 WeakPolarHBondContact O-CG 3.42Å; G312-L327 PolarHBondContact O-N 3.27Å
313	K	89.3	Confident	86.8	Confident	62 Å²	62	33.2 Å²	33.2	27%	0.27	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.6	164.6	-63.5	176.9	-176.5	168.1	0	108.7	M308 D309	M308-K313 CarbonylContact C-O 3.58Å; M308-K313 WeakPolarHBondContact CA-O 3.23Å; D309-K313 PolarHBondContact N-O 3.45Å; D309-K313 WeakPolarHBondContact OD1-CB 3.48Å; D309-K313 PolarHBondContact OD1-N 3.4Å; D309-K313 WeakPolarHBondContact OD2-CD 3.45Å
314	I	91.5	Very high	87.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.3	-179.8	-50.1	171.2	0	0	0	107.2	S307 M308 W316 Q324 A325 L327 L343 L564 I582	S307-I314 WeakPolarHBondContact O-CA 3.47Å; M308-I314 HydrophobicContact CB-CG1 4.04Å; M308-I314 HydrophobicContact CG-CG1 3.7Å; M308-I314 HydrophobicContact SD-CD1 4.04Å; M308-I314 HydrophobicContact SD-CG1 3.8Å; I314-W316 HydrophobicContact CB-CE3 4.15Å; I314-W316 HydrophobicContact CB-CZ3 3.96Å; I314-W316 HydrophobicContact CG2-CE3 3.52Å; I314-W316 HydrophobicContact CG2-CZ3 3.74Å; I314-Q324 WeakPolarHBondContact O-CA 3.48Å; I314-A325 PolarHBondContact N-O 3.48Å; I314-A325 PolarHBondContact O-N 3.41Å; I314-L327 HydrophobicContact CD1-CD1 3.99Å; I314-L327 HydrophobicContact CD1-CD2 3.9Å; I314-L327 HydrophobicContact CD1-CG 3.89Å; I314-L327 HydrophobicContact CG1-CD1 4.45Å; I314-L327 HydrophobicContact CG1-CG 4.41Å; I314-L343 HydrophobicContact CD1-CD1 4.42Å; I314-L564 HydrophobicContact CD1-CD1 4.11Å; I314-L564 HydrophobicContact CG2-CD1 4.2Å; I314-I582 HydrophobicContact CD1-CD1 3.39Å; I314-I582 HydrophobicContact CD1-CG1 4.34Å; I314-I582 HydrophobicContact CD1-CG2 4.36Å; I314-I582 HydrophobicContact CG2-CD1 4.33Å
315	I	92.1	Very high	87.2	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.4	173.4	-65.7	175.7	0	0	0	107	M306 S307 V322 Q323 Q324 I358 V367 A380	M306-I315 WeakPolarHBondContact CA-O 3.48Å; S307-I315 PolarHBondContact N-O 2.9Å; S307-I315 PolarHBondContact O-N 3.22Å; I315-V322 HydrophobicContact CG2-CG1 3.47Å; I315-V322 VanDerWaalsContact CG2-CG1 3.47Å; I315-Q323 WeakPolarHBondContact CA-O 3.28Å; I315-Q324 HydrophobicContact CG1-CB 4.34Å; I315-Q324 HydrophobicContact CG1-CG 4.16Å; I315-I358 HydrophobicContact CG2-CG2 4.37Å; I315-V367 HydrophobicContact CD1-CG2 3.76Å; I315-A380 HydrophobicContact CD1-CB 4.35Å
316	W	91.6	Very high	87.1	Confident	9 Å²	9	32.2 Å²	32.2	3%	0.034	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161.3	174.5	58.8	72.2	0	0	0	110.2	A305 M306 I314 Q323 A325 V345 L580 I582	A305-W316 CarbonylContact O-C 3.59Å; A305-W316 WeakPolarHBondContact O-CA 3.4Å; M306-W316 HydrophobicContact CB-CB 3.79Å; I314-W316 HydrophobicContact CB-CE3 4.15Å; I314-W316 HydrophobicContact CB-CZ3 3.96Å; I314-W316 HydrophobicContact CG2-CE3 3.52Å; I314-W316 HydrophobicContact CG2-CZ3 3.74Å; W316-Q323 PolarHBondContact N-O 3.21Å; W316-Q323 VanDerWaalsContact NE1-OE1 3.14Å; W316-Q323 PolarHBondContact O-N 3.5Å; W316-A325 HydrophobicContact CH2-CB 3.24Å; W316-A325 HydrophobicContact CZ2-CB 4.18Å; W316-A325 HydrophobicContact CZ3-CB 3.54Å; W316-V345 HydrophobicContact CH2-CG2 4.32Å; W316-V345 HydrophobicContact CZ2-CG1 4.05Å; W316-V345 HydrophobicContact CZ2-CG2 3.81Å; W316-L580 HydrophobicContact CB-CD2 4Å; W316-L580 HydrophobicContact CG-CD1 4.24Å; W316-L580 HydrophobicContact CG-CD2 4Å; W316-I582 HydrophobicContact CE3-CD1 4.22Å; W316-I582 HydrophobicContact CH2-CD1 3.96Å; W316-I582 HydrophobicContact CZ3-CD1 3.38Å
317	A	87.1	Confident	86.7	Confident	12 Å²	12	31.8 Å²	31.8	10%	0.099	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.2	169.7	0	0	0	0	0	111.5	A305 E321 V322 P355 I358	A305-A317 HydrophobicContact CB-CB 4.42Å; A305-A317 PolarHBondContact O-N 2.94Å; A317-E321 WeakPolarHBondContact CA-O 3.46Å; A317-V322 HydrophobicContact CB-CG2 4.42Å; A317-P355 HydrophobicContact CB-CB 3.7Å; A317-P355 HydrophobicContact CB-CG 3.15Å; A317-I358 HydrophobicContact CB-CD1 3.54Å
318	K	80.9	Confident	85.8	Confident	106 Å²	106	37.2 Å²	37.2	46%	0.461	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.3	166.8	-171.8	177	-177.8	178.1	0	107.4	S320 E321 L580	K318-S320 PolarHBondContact O-N 3.49Å; K318-S320 VanDerWaalsContact O-N 3.11Å; K318-E321 PolarHBondContact N-O 2.87Å; K318-E321 PolarHBondContact O-N 3.4Å; K318-L580 HydrophobicContact CB-CD1 4.1Å; K318-L580 HydrophobicContact CD-CD1 4.47Å; K318-L580 HydrophobicContact CG-CD1 4.4Å
319	H	79.3	Confident	84.7	Confident	25 Å²	25	39.8 Å²	39.8	12%	0.116	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-114.9	-168.8	-56.5	86	0	0	0	111.2	P239 E240 P355	P239-H319 PolarHBondContact O-NE2 2.85Å; E240-H319 PolarHBondContact O-CD2 3.06Å; E240-H319 PolarHBondContact O-NE2 2.89Å; H319-P355 WeakPolarHBondContact O-CD 3.5Å; H319-P355 WeakPolarHBondContact O-CG 3.49Å
320	S	78.5	Confident	83.4	Confident	45 Å²	45	41.7 Å²	41.7	32%	0.315	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.1	178	-60.2	0	0	0	0	113.6	K318 S350 C351	K318-S320 PolarHBondContact O-N 3.49Å; K318-S320 VanDerWaalsContact O-N 3.11Å; S320-S350 CarbonylContact O-C 3.57Å; S320-S350 WeakPolarHBondContact O-CA 3.41Å; S320-C351 PolarHBondContact O-N 2.7Å
321	E	83.1	Confident	82.4	Confident	65 Å²	65	40.5 Å²	40.5	30%	0.304	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.8	-178.5	-68.5	168.9	-165.1	0	0	109.9	A317 K318	A317-E321 WeakPolarHBondContact CA-O 3.46Å; K318-E321 PolarHBondContact N-O 2.87Å; K318-E321 PolarHBondContact O-N 3.4Å
322	V	87.4	Confident	81.2	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.2	176.1	179.8	0	0	0	0	108.7	I315 A317 M348 G349 C351 L383	I315-V322 HydrophobicContact CG2-CG1 3.47Å; I315-V322 VanDerWaalsContact CG2-CG1 3.47Å; A317-V322 HydrophobicContact CB-CG2 4.42Å; V322-M348 WeakPolarHBondContact O-CB 3.28Å; V322-M348 PolarHBondContact O-N 3.39Å; V322-G349 PolarHBondContact N-O 3.49Å; V322-C351 HydrophobicContact CG2-CB 4.41Å; V322-C351 WeakPolarHBondContact CG2-SG 3.46Å; V322-L383 HydrophobicContact CB-CD2 4.13Å; V322-L383 HydrophobicContact CG1-CD1 4.14Å; V322-L383 HydrophobicContact CG2-CD2 4.44Å
323	Q	89.3	Confident	80.2	Confident	38 Å²	38	47.9 Å²	47.9	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.9	-178.8	-68.6	178.3	-15.6	0	0	109.9	I315 W316 V345	I315-Q323 WeakPolarHBondContact CA-O 3.28Å; W316-Q323 PolarHBondContact N-O 3.21Å; W316-Q323 VanDerWaalsContact NE1-OE1 3.14Å; W316-Q323 PolarHBondContact O-N 3.5Å; Q323-V345 HydrophobicContact CB-CG1 3.71Å; Q323-V345 HydrophobicContact CG-CG1 4.02Å
324	Q	89.9	Confident	79.1	Confident	24 Å²	24	54.3 Å²	54.3	11%	0.112	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.8	178.1	-178.5	178.6	10.5	0	0	109.9	I314 I315 K346 M348	I314-Q324 WeakPolarHBondContact O-CA 3.48Å; I315-Q324 HydrophobicContact CG1-CB 4.34Å; I315-Q324 HydrophobicContact CG1-CG 4.16Å; Q324-K346 PolarHBondContact N-O 3.3Å; Q324-K346 PolarHBondContact O-N 2.86Å; Q324-M348 HydrophobicContact CB-CG 3.68Å; Q324-M348 HydrophobicContact CB-SD 4.23Å; Q324-M348 PolarHBondContact OE1-SD 3.47Å
325	A	87.8	Confident	78.3	Confident	2 Å²	2	55.8 Å²	55.8	2%	0.017	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.4	164	0	0	0	0	0	110.5	I314 W316 L343	I314-A325 PolarHBondContact N-O 3.48Å; I314-A325 PolarHBondContact O-N 3.41Å; W316-A325 HydrophobicContact CH2-CB 3.24Å; W316-A325 HydrophobicContact CZ2-CB 4.18Å; W316-A325 HydrophobicContact CZ3-CB 3.54Å; A325-L343 HydrophobicContact CB-CB 4.04Å; A325-L343 HydrophobicContact CB-CD1 4.14Å
326	N	85.9	Confident	77.8	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.283	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.4	179.6	-174.4	2.4	0	0	0	109.8	K328 A329	N326-K328 VanDerWaalsContact C-N 3.25Å; N326-K328 PolarHBondContact O-N 3.04Å; N326-K328 WeakPolarHBondContact OD1-CB 3.39Å; N326-K328 PolarHBondContact OD1-N 2.97Å; N326-K328 VanDerWaalsContact OD1-N 3.09Å; N326-A329 PolarHBondContact O-N 3.45Å
327	L	80.8	Confident	77.4	Confident	12 Å²	12	66 Å²	66	6%	0.063	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-64.8	-30.3	179	-64.6	174.4	0	0	0	111.9	M308 G312 I314 A329 M330 L341 L343 I567 Y574	M308-L327 HydrophobicContact SD-CD1 3.59Å; M308-L327 VanDerWaalsContact SD-CD1 3.59Å; G312-L327 WeakPolarHBondContact O-CB 3.15Å; G312-L327 VanDerWaalsContact O-CG 3.28Å; G312-L327 WeakPolarHBondContact O-CG 3.42Å; G312-L327 PolarHBondContact O-N 3.27Å; I314-L327 HydrophobicContact CD1-CD1 3.99Å; I314-L327 HydrophobicContact CD1-CD2 3.9Å; I314-L327 HydrophobicContact CD1-CG 3.89Å; I314-L327 HydrophobicContact CG1-CD1 4.45Å; I314-L327 HydrophobicContact CG1-CG 4.41Å; L327-A329 PolarHBondContact O-N 2.94Å; L327-A329 VanDerWaalsContact O-N 3.09Å; L327-M330 WeakPolarHBondContact O-CB 3.12Å; L327-M330 PolarHBondContact O-N 3.33Å; L327-L341 HydrophobicContact CD2-CD1 4.09Å; L327-L343 HydrophobicContact CD2-CD1 3.84Å; L327-L343 HydrophobicContact CD2-CD2 3.74Å; L327-L343 HydrophobicContact CD2-CG 4.44Å; L327-I567 HydrophobicContact CD1-CD1 3.75Å; L327-Y574 HydrophobicContact CD1-CD1 3.8Å; L327-Y574 HydrophobicContact CD1-CD2 3.86Å; L327-Y574 HydrophobicContact CD1-CE1 3.73Å; L327-Y574 HydrophobicContact CD1-CE2 3.81Å; L327-Y574 HydrophobicContact CD1-CG 3.85Å; L327-Y574 HydrophobicContact CD2-CD1 4.03Å; L327-Y574 HydrophobicContact CD2-CE1 3.84Å; L327-Y574 HydrophobicContact CG-CE1 4.36Å
328	K	74.1	Confident	77.1	Confident	134 Å²	134	67 Å²	67	58%	0.583	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-63.1	-19.4	179	-63.5	-172.3	-178.3	179.5	0	114.3	N311 N326 M330	N311-K328 WeakPolarHBondContact O-CE 3.49Å; N326-K328 VanDerWaalsContact C-N 3.25Å; N326-K328 PolarHBondContact O-N 3.04Å; N326-K328 WeakPolarHBondContact OD1-CB 3.39Å; N326-K328 PolarHBondContact OD1-N 2.97Å; N326-K328 VanDerWaalsContact OD1-N 3.09Å; K328-M330 PolarHBondContact O-N 3.4Å
329	A	66.9	Low	77.2	Confident	75 Å²	75	67.4 Å²	67.4	62%	0.62	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-74.6	-10.1	-179.6	0	0	0	0	0	113.1	N326 L327	N326-A329 PolarHBondContact O-N 3.45Å; L327-A329 PolarHBondContact O-N 2.94Å; L327-A329 VanDerWaalsContact O-N 3.09Å
330	M	63.3	Low	77.5	Confident	49 Å²	49	71.7 Å²	71.7	24%	0.241	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-79.3	-18.3	-175.5	-68.9	-66.4	-74.8	0	0	114.6	L327 K328 L341 P342 L343	L327-M330 WeakPolarHBondContact O-CB 3.12Å; L327-M330 PolarHBondContact O-N 3.33Å; K328-M330 PolarHBondContact O-N 3.4Å; M330-L341 HydrophobicContact CE-CD2 4.5Å; M330-P342 HydrophobicContact CE-CG 3.79Å; M330-L343 HydrophobicContact CG-CD2 3.62Å; M330-L343 HydrophobicContact SD-CD2 3.86Å
331	G	61.9	Low	77.8	Confident	57 Å²	57	70.4 Å²	70.4	59%	0.588	38%	0.378	S	S	*	.			trans	63.6	-164.6	-174.5	0	0	0	0	0	113.4	A333	G331-A333 PolarHBondContact O-N 3.06Å; G331-A333 VanDerWaalsContact O-N 3.12Å
332	D	60.2	Low	77.7	Confident	177 Å²	177	72.3 Å²	72.3	95%	0.947	40%	0.397	S	S	*	.	S	Bend	trans	-83.1	38.6	180	-64.8	-29.2	0	0	0	112.8	E334	D332-E334 PolarHBondContact O-N 3.1Å
333	A	63.8	Low	77.4	Confident	57 Å²	57	73.5 Å²	73.5	47%	0.471	40%	0.403	S	S	.	.			trans	-65.9	133.2	175.4	0	0	0	0	0	110.1	G331 I335	G331-A333 PolarHBondContact O-N 3.06Å; G331-A333 VanDerWaalsContact O-N 3.12Å; A333-I335 PolarHBondContact O-N 3.48Å
334	E	65.8	Low	77.1	Confident	197 Å²	197	75.4 Å²	75.4	92%	0.921	43%	0.425	S	S	*	.			trans	-65.3	99.5	171.7	-76.2	-172.1	168.1	0	0	109.5	D332	D332-E334 PolarHBondContact O-N 3.1Å
335	I	75.7	Confident	76.9	Confident	32 Å²	32	77.9 Å²	77.9	16%	0.164	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-83.1	125.2	177.2	-62.3	158.6	0	0	0	108.4	A333 L341 R572 S584	A333-I335 PolarHBondContact O-N 3.48Å; I335-L341 HydrophobicContact CB-CD2 4.35Å; I335-L341 HydrophobicContact CD1-CD2 3.84Å; I335-L341 HydrophobicContact CG1-CD2 3.86Å; I335-L341 HydrophobicContact CG2-CD2 3.5Å; I335-L341 VanDerWaalsContact CG2-CD2 3.5Å; I335-R572 VanDerWaalsContact CG2-NH1 3.3Å; I335-R572 PolarHBondContact O-NH1 2.81Å; I335-R572 PolarHBondContact O-NH2 3.21Å; I335-S584 VanDerWaalsContact CG2-OG 3.26Å; I335-S584 WeakPolarHBondContact CG2-OG 3.39Å
336	K	79.6	Confident	76.9	Confident	155 Å²	155	84 Å²	84	67%	0.674	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-78.2	142.1	169	-70.2	-178.5	179.3	178.3	0	110.7	G338 E339	K336-G338 PolarHBondContact O-N 2.95Å; K336-E339 HydrophobicContact CB-CB 4.33Å; K336-E339 PolarHBondContact O-N 3.07Å
337	D	83.8	Confident	76.8	Confident	69 Å²	69	86 Å²	86	37%	0.369	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	133.3	177.7	-76.3	1.2	0	0	0	110.4	E339 R572 Y585 S586	D337-E339 VanDerWaalsContact C-N 3.31Å; D337-E339 PolarHBondContact O-N 3.48Å; D337-R572 IonicContact OD1-CZ 3.49Å; D337-R572 IonicContact OD1-NH1 2.61Å; D337-R572 PolarHBondContact OD1-NH1 2.82Å; D337-R572 VanDerWaalsContact OD1-NH1 3.15Å; D337-R572 IonicContact OD1-NH2 3.72Å; D337-Y585 HydrophobicContact CB-CD1 3.94Å; D337-Y585 HydrophobicContact CB-CE1 4.38Å; D337-S586 VanDerWaalsContact CG-N 3.31Å; D337-S586 PolarHBondContact OD1-N 2.94Å; D337-S586 WeakPolarHBondContact OD2-CB 3.4Å; D337-S586 PolarHBondContact OD2-N 3.24Å; D337-S586 PolarHBondContact OD2-OG 3.07Å
338	G	80.3	Confident	76.9	Confident	33 Å²	33	86.9 Å²	86.9	34%	0.34	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-9.8	-177.8	0	0	0	0	0	115.5	K336 V583 S584	K336-G338 PolarHBondContact O-N 2.95Å; G338-V583 VanDerWaalsContact C-CG1 3.45Å; G338-S584 PolarHBondContact N-O 3.44Å; G338-S584 VanDerWaalsContact N-O 3.09Å
339	E	84.6	Confident	77.3	Confident	115 Å²	115	81.9 Å²	81.9	54%	0.537	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-81.4	148.1	179.5	-165.1	171.7	177.6	0	0	112.3	K336 D337 L341	K336-E339 HydrophobicContact CB-CB 4.33Å; K336-E339 PolarHBondContact O-N 3.07Å; D337-E339 VanDerWaalsContact C-N 3.31Å; D337-E339 PolarHBondContact O-N 3.48Å; E339-L341 PolarHBondContact O-N 3.19Å
340	R	84.3	Confident	77.9	Confident	116 Å²	116	82.6 Å²	82.6	44%	0.438	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-71	128.1	176.5	-64.1	-177	-178.2	-168.4	-1	110.2	P342 R559 E579 N581	R340-P342 WeakPolarHBondContact O-CD 3.19Å; R340-R559 VanDerWaalsContact NH2-NH2 3.14Å; R340-E579 IonicContact NH2-OE2 3.6Å; R340-N581 HydrophobicContact CG-CB 4.32Å; R340-N581 PolarHBondContact NH1-ND2 3.47Å; R340-N581 PolarHBondContact NH1-OD1 3.47Å
341	L	84.3	Confident	78.7	Confident	18 Å²	18	80.6 Å²	80.6	9%	0.094	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-78.5	123.1	177	-63	-179.2	0	0	0	111	L327 M330 I335 E339 L343 Y574 I582	L327-L341 HydrophobicContact CD2-CD1 4.09Å; M330-L341 HydrophobicContact CE-CD2 4.5Å; I335-L341 HydrophobicContact CB-CD2 4.35Å; I335-L341 HydrophobicContact CD1-CD2 3.84Å; I335-L341 HydrophobicContact CG1-CD2 3.86Å; I335-L341 HydrophobicContact CG2-CD2 3.5Å; I335-L341 VanDerWaalsContact CG2-CD2 3.5Å; E339-L341 PolarHBondContact O-N 3.19Å; L341-L343 VanDerWaalsContact C-N 3.34Å; L341-L343 HydrophobicContact CB-CD1 4.44Å; L341-L343 HydrophobicContact CB-CD2 4.24Å; L341-L343 HydrophobicContact CB-CG 4Å; L341-L343 PolarHBondContact O-N 3.42Å; L341-Y574 HydrophobicContact CD1-CD1 3.82Å; L341-Y574 HydrophobicContact CD1-CE1 3.69Å; L341-I582 HydrophobicContact CD1-CG2 3.94Å; L341-I582 PolarHBondContact N-O 3.22Å
342	P	80.9	Confident	79.5	Confident	105 Å²	105	86.1 Å²	86.1	68%	0.682	47%	0.471	S	S	*	.			trans	-77.9	83	174.5	31.3	-34.6	0	0	0	110.5	M330 R340	M330-P342 HydrophobicContact CE-CG 3.79Å; R340-P342 WeakPolarHBondContact O-CD 3.19Å
343	L	82.8	Confident	80.6	Confident	26 Å²	26	78.1 Å²	78.1	14%	0.136	43%	0.428	C	S	.	.			trans	-87.1	136.8	-178.5	-61	173.7	0	0	0	112.3	I314 A325 L327 M330 L341 V345 I582	I314-L343 HydrophobicContact CD1-CD1 4.42Å; A325-L343 HydrophobicContact CB-CB 4.04Å; A325-L343 HydrophobicContact CB-CD1 4.14Å; L327-L343 HydrophobicContact CD2-CD1 3.84Å; L327-L343 HydrophobicContact CD2-CD2 3.74Å; L327-L343 HydrophobicContact CD2-CG 4.44Å; M330-L343 HydrophobicContact CG-CD2 3.62Å; M330-L343 HydrophobicContact SD-CD2 3.86Å; L341-L343 VanDerWaalsContact C-N 3.34Å; L341-L343 HydrophobicContact CB-CD1 4.44Å; L341-L343 HydrophobicContact CB-CD2 4.24Å; L341-L343 HydrophobicContact CB-CG 4Å; L341-L343 PolarHBondContact O-N 3.42Å; L343-V345 PolarHBondContact O-N 2.83Å; L343-I582 HydrophobicContact CD1-CB 4.07Å; L343-I582 HydrophobicContact CD1-CD1 3.36Å; L343-I582 HydrophobicContact CD1-CG1 4.3Å; L343-I582 HydrophobicContact CD1-CG2 4.37Å
344	A	83.1	Confident	81.5	Confident	78 Å²	78	77 Å²	77	65%	0.645	41%	0.412	S	S	*	.			trans	-71.9	112.6	170.7	0	0	0	0	0	110
345	V	84.9	Confident	82.4	Confident	76 Å²	76	67.9 Å²	67.9	46%	0.461	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128	180	-172.9	0	0	0	0	109.7	W316 Q323 L343	W316-V345 HydrophobicContact CH2-CG2 4.32Å; W316-V345 HydrophobicContact CZ2-CG1 4.05Å; W316-V345 HydrophobicContact CZ2-CG2 3.81Å; Q323-V345 HydrophobicContact CB-CG1 3.71Å; Q323-V345 HydrophobicContact CG-CG1 4.02Å; L343-V345 PolarHBondContact O-N 2.83Å
346	K	86.8	Confident	82.8	Confident	130 Å²	130	70.6 Å²	70.6	57%	0.565	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	127	173.5	-177.3	-175.8	175.2	-169.8	0	109.4	Q324 M348	Q324-K346 PolarHBondContact N-O 3.3Å; Q324-K346 PolarHBondContact O-N 2.86Å; K346-M348 HydrophobicContact CD-SD 4.47Å
347	D	85.1	Confident	83.2	Confident	94 Å²	94	65.5 Å²	65.5	50%	0.503	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.3	172.7	-166.6	-2.5	0	0	0	110.8	G349	D347-G349 PolarHBondContact OD1-N 3.12Å
348	M	81.8	Confident	83.6	Confident	32 Å²	32	62.5 Å²	62.5	16%	0.158	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-15.4	-179.7	-66.7	-68.9	-73.1	0	0	112.3	V322 Q324 K346 M381 L383	V322-M348 WeakPolarHBondContact O-CB 3.28Å; V322-M348 PolarHBondContact O-N 3.39Å; Q324-M348 HydrophobicContact CB-CG 3.68Å; Q324-M348 HydrophobicContact CB-SD 4.23Å; Q324-M348 PolarHBondContact OE1-SD 3.47Å; K346-M348 HydrophobicContact CD-SD 4.47Å; M348-M381 WeakPolarHBondContact CE-O 3.26Å; M348-L383 HydrophobicContact CB-CD2 4.39Å; M348-L383 HydrophobicContact CE-CB 4.47Å
349	G	82.7	Confident	84.1	Confident	28 Å²	28	64.7 Å²	64.7	29%	0.289	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	121.2	178	-179.3	0	0	0	0	0	113.6	V322 D347	V322-G349 PolarHBondContact N-O 3.49Å; D347-G349 PolarHBondContact OD1-N 3.12Å
350	S	81.1	Confident	84.4	Confident	90 Å²	90	60.1 Å²	60.1	63%	0.629	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.1	-178.7	58.5	0	0	0	0	112.5	S320	S320-S350 CarbonylContact O-C 3.57Å; S320-S350 WeakPolarHBondContact O-CA 3.41Å
351	C	79.9	Confident	84.7	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.054	31%	0.307	C	S	.	.			trans	-82.3	150.5	165.6	-78.3	0	0	0	0	111.5	S320 V322	S320-C351 PolarHBondContact O-N 2.7Å; V322-C351 HydrophobicContact CG2-CB 4.41Å; V322-C351 WeakPolarHBondContact CG2-SG 3.46Å
352	E	78	Confident	84.8	Confident	173 Å²	173	56.8 Å²	56.8	81%	0.808	32%	0.321	S	S	*	.	S	Bend	trans	-73.5	-31.6	177	-65.3	178.8	-178	0	0	112.2
353	I	83.4	Confident	85.1	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.041	31%	0.31	C	S	.	.	S	Bend	trans	-100.9	158.8	178.6	59.5	171.8	0	0	0	110.9	P355 V369 E374 I376	I353-P355 VanDerWaalsContact O-CD 3.22Å; I353-P355 WeakPolarHBondContact O-CD 3.33Å; I353-V369 HydrophobicContact CD1-CG1 4.17Å; I353-V369 HydrophobicContact CG1-CG1 4.35Å; I353-E374 HydrophobicContact CG2-CB 4.32Å; I353-E374 WeakPolarHBondContact CG2-OE2 3.49Å; I353-I376 HydrophobicContact CD1-CD1 4.14Å; I353-I376 HydrophobicContact CD1-CG1 4.13Å; I353-I376 HydrophobicContact CG1-CD1 4.05Å; I353-I376 HydrophobicContact CG2-CD1 4.34Å
354	Y	82.8	Confident	85.2	Confident	35 Å²	35	55 Å²	55	14%	0.137	31%	0.308	C	S	.	.			trans	-78	111.8	169.9	-178.4	-95.8	0	0	0	110.4	E240 P242 Q356 G371 D372	E240-Y354 PolarHBondContact O-OH 3.42Å; P242-Y354 HydrophobicContact CB-CD2 3.71Å; P242-Y354 HydrophobicContact CB-CE2 4.01Å; P242-Y354 HydrophobicContact CB-CG 4.24Å; P242-Y354 VanDerWaalsContact CD-CE2 3.45Å; P242-Y354 VanDerWaalsContact CD-CZ 3.5Å; P242-Y354 HydrophobicContact CG-CD1 3.93Å; P242-Y354 HydrophobicContact CG-CD2 3.46Å; P242-Y354 VanDerWaalsContact CG-CD2 3.46Å; P242-Y354 HydrophobicContact CG-CE1 4.24Å; P242-Y354 HydrophobicContact CG-CE2 3.77Å; P242-Y354 HydrophobicContact CG-CG 3.53Å; Y354-Q356 HydrophobicContact CD1-CG 4.25Å; Y354-Q356 PolarHBondContact O-N 3.33Å; Y354-G371 VanDerWaalsContact O-CA 3.27Å; Y354-G371 WeakPolarHBondContact O-CA 3.38Å; Y354-D372 PolarHBondContact N-OD2 2.96Å
355	P	84.3	Confident	85.5	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.032	31%	0.307	C	S	.	.			trans	-66.8	114.9	-177.1	27.1	-32.9	0	0	0	111.1	A317 H319 I353 I358 V369	A317-P355 HydrophobicContact CB-CB 3.7Å; A317-P355 HydrophobicContact CB-CG 3.15Å; H319-P355 WeakPolarHBondContact O-CD 3.5Å; H319-P355 WeakPolarHBondContact O-CG 3.49Å; I353-P355 VanDerWaalsContact O-CD 3.22Å; I353-P355 WeakPolarHBondContact O-CD 3.33Å; P355-I358 HydrophobicContact CB-CD1 4.31Å; P355-I358 HydrophobicContact CB-CG1 4.38Å; P355-V369 HydrophobicContact CB-CG1 3.51Å
356	Q	84.9	Confident	85.8	Confident	89 Å²	89	56.2 Å²	56.2	42%	0.416	29%	0.288	S	S	.	.	S	Bend	trans	-93.5	-38.8	171.2	-64.9	-175.5	1.8	0	0	111.5	Y354 C370	Y354-Q356 HydrophobicContact CD1-CG 4.25Å; Y354-Q356 PolarHBondContact O-N 3.33Å; Q356-C370 PolarHBondContact N-O 3.37Å
357	T	87.8	Confident	86.1	Confident	47 Å²	47	50.1 Å²	50.1	29%	0.288	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.3	175.7	63.9	0	0	0	0	110.4	C370	T357-C370 PolarHBondContact N-O 2.97Å; T357-C370 PolarHBondContact O-N 3.21Å; T357-C370 WeakPolarHBondContact OG1-CB 3.46Å
358	I	91.2	Very high	86.4	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.5	173.7	-66.8	-175.9	0	0	0	107.1	A305 S307 I315 A317 P355 V367 V368 V369	A305-I358 HydrophobicContact CB-CD1 4.31Å; A305-I358 HydrophobicContact CB-CG1 4.16Å; S307-I358 WeakPolarHBondContact CB-O 3.44Å; I315-I358 HydrophobicContact CG2-CG2 4.37Å; A317-I358 HydrophobicContact CB-CD1 3.54Å; P355-I358 HydrophobicContact CB-CD1 4.31Å; P355-I358 HydrophobicContact CB-CG1 4.38Å; I358-V367 HydrophobicContact CG2-CG1 3.58Å; I358-V368 WeakPolarHBondContact CA-O 3.4Å; I358-V369 HydrophobicContact CD1-CG2 4.5Å; I358-V369 HydrophobicContact CG1-CG2 4.24Å
359	Q	91	Very high	86.9	Confident	80 Å²	80	44.1 Å²	44.1	37%	0.374	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	128.2	177.4	-65.7	-179.7	-9.8	0	0	110.3	V367 V368	Q359-V367 WeakPolarHBondContact O-CA 3.33Å; Q359-V368 HydrophobicContact CB-CG1 3.88Å; Q359-V368 PolarHBondContact N-O 3.46Å; Q359-V368 VanDerWaalsContact N-O 3.09Å; Q359-V368 PolarHBondContact O-N 3.14Å
360	H	91.9	Very high	87.2	Confident	18 Å²	18	43.4 Å²	43.4	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	147	163.4	-72.1	86.9	0	0	0	109.6	S307 F366 V367	S307-H360 VanDerWaalsContact CB-ND1 3.31Å; S307-H360 WeakPolarHBondContact CB-ND1 3.29Å; S307-H360 PolarHBondContact O-CE1 3.14Å; S307-H360 PolarHBondContact O-ND1 3.08Å; S307-H360 PolarHBondContact OG-N 3.18Å; S307-H360 PolarHBondContact OG-ND1 3.27Å; H360-F366 WeakPolarHBondContact CA-O 3.24Å; H360-V367 VanDerWaalsContact CD2-CG2 3.49Å; H360-V367 WeakPolarHBondContact CD2-CG2 3.47Å
361	N	91.2	Very high	87.4	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	19%	0.193	C	C	.	.			trans	-70.7	162.1	162.1	76.7	-34.2	0	0	0	109.9	N363 G364 R365 F366 W396	N361-N363 PolarHBondContact ND2-OD1 3.12Å; N361-N363 PolarHBondContact O-N 3.25Å; N361-N363 PolarHBondContact OD1-OD1 3.03Å; N361-G364 PolarHBondContact O-N 3.12Å; N361-G364 WeakPolarHBondContact OD1-CA 3.35Å; N361-G364 PolarHBondContact OD1-N 3.47Å; N361-R365 PolarHBondContact OD1-N 3.47Å; N361-F366 HydrophobicContact CB-CB 4.34Å; N361-F366 PolarHBondContact N-O 3.29Å; N361-F366 WeakPolarHBondContact ND2-CD2 3.38Å; N361-F366 PolarHBondContact OD1-N 2.75Å; N361-F366 PolarHBondContact OD1-O 3.47Å; N361-F366 VanDerWaalsContact OD1-O 3.05Å; N361-W396 HydrophobicContact CB-CD2 3.74Å; N361-W396 HydrophobicContact CB-CE3 3.97Å; N361-W396 HydrophobicContact CB-CG 4.31Å; N361-W396 HydrophobicContact CB-CH2 4.12Å; N361-W396 HydrophobicContact CB-CZ2 3.89Å; N361-W396 HydrophobicContact CB-CZ3 4.16Å
362	P	86.4	Confident	87.3	Confident	62 Å²	62	40 Å²	40	40%	0.403	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.3	-173.3	-28.2	34.4	0	0	0	115	A397	P362-A397 VanDerWaalsContact CG-O 3.25Å; P362-A397 WeakPolarHBondContact CG-O 3.43Å
363	N	85.3	Confident	87.5	Confident	83 Å²	83	32.7 Å²	32.7	44%	0.444	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1	176.7	72.7	21.7	0	0	0	115.2	N361 R365 S400	N361-N363 PolarHBondContact ND2-OD1 3.12Å; N361-N363 PolarHBondContact O-N 3.25Å; N361-N363 PolarHBondContact OD1-OD1 3.03Å; N363-R365 PolarHBondContact O-N 2.94Å; N363-R365 WeakPolarHBondContact OD1-CB 3.28Å; N363-R365 PolarHBondContact OD1-N 3.25Å; N363-S400 WeakPolarHBondContact CB-OG 3.47Å; N363-S400 PolarHBondContact N-OG 3.36Å; N363-S400 WeakPolarHBondContact ND2-CB 3.41Å; N363-S400 PolarHBondContact ND2-OG 2.94Å
364	G	85.6	Confident	87.8	Confident	9 Å²	9	36 Å²	36	9%	0.093	18%	0.182	C	C	.	.	S	Bend	trans	70.5	7.3	179.6	0	0	0	0	0	116.1	N361 A380	N361-G364 PolarHBondContact O-N 3.12Å; N361-G364 WeakPolarHBondContact OD1-CA 3.35Å; N361-G364 PolarHBondContact OD1-N 3.47Å; G364-A380 VanDerWaalsContact O-CB 3.28Å; G364-A380 WeakPolarHBondContact O-CB 3.15Å
365	R	88.9	Confident	88.2	Confident	165 Å²	165	34.7 Å²	34.7	62%	0.623	18%	0.177	S	C	*	.	S	Bend	trans	-76.7	-34.8	-179.7	-174.1	178.4	-179.1	-179.9	1.9	112.9	N361 N363 A380	N361-R365 PolarHBondContact OD1-N 3.47Å; N363-R365 PolarHBondContact O-N 2.94Å; N363-R365 WeakPolarHBondContact OD1-CB 3.28Å; N363-R365 PolarHBondContact OD1-N 3.25Å; R365-A380 PolarHBondContact O-N 2.92Å
366	F	92	Very high	88.6	Confident	16 Å²	16	34.7 Å²	34.7	7%	0.07	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151	-176.3	-57.4	-63.7	0	0	0	110.3	H360 N361 I377 Y378 T379 K386 W396 F418	H360-F366 WeakPolarHBondContact CA-O 3.24Å; N361-F366 HydrophobicContact CB-CB 4.34Å; N361-F366 PolarHBondContact N-O 3.29Å; N361-F366 WeakPolarHBondContact ND2-CD2 3.38Å; N361-F366 PolarHBondContact OD1-N 2.75Å; N361-F366 PolarHBondContact OD1-O 3.47Å; N361-F366 VanDerWaalsContact OD1-O 3.05Å; F366-I377 HydrophobicContact CB-CG2 3.93Å; F366-I377 HydrophobicContact CG-CG2 4.4Å; F366-Y378 CarbonylContact C-O 3.58Å; F366-Y378 VanDerWaalsContact CA-O 3.27Å; F366-Y378 WeakPolarHBondContact CA-O 3.31Å; F366-T379 HydrophobicContact CD1-CG2 4.28Å; F366-T379 HydrophobicContact CE1-CG2 4.11Å; F366-K386 HydrophobicContact CD1-CG 4.24Å; F366-K386 HydrophobicContact CE1-CG 3.96Å; F366-W396 HydrophobicContact CB-CH2 4.36Å; F366-W396 HydrophobicContact CB-CZ2 4.45Å; F366-F418 HydrophobicContact CD1-CZ 4.28Å; F366-F418 AromaticContact CD2-CZ 3.95Å; F366-F418 HydrophobicContact CD2-CZ 3.95Å; F366-F418 AromaticContact CE1-CZ 3.98Å; F366-F418 HydrophobicContact CE1-CZ 3.98Å; F366-F418 HydrophobicContact CE2-CE2 4.26Å; F366-F418 AromaticContact CE2-CZ 3.63Å; F366-F418 HydrophobicContact CE2-CZ 3.63Å; F366-F418 HydrophobicContact CG-CZ 4.28Å; F366-F418 HydrophobicContact CZ-CE2 4.04Å; F366-F418 AromaticContact CZ-CZ 3.65Å; F366-F418 HydrophobicContact CZ-CZ 3.65Å
367	V	92.3	Very high	89	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.3	174.3	176.9	0	0	0	0	107	I315 I358 Q359 H360 V369 I377 Y378 A380	I315-V367 HydrophobicContact CD1-CG2 3.76Å; I358-V367 HydrophobicContact CG2-CG1 3.58Å; Q359-V367 WeakPolarHBondContact O-CA 3.33Å; H360-V367 VanDerWaalsContact CD2-CG2 3.49Å; H360-V367 WeakPolarHBondContact CD2-CG2 3.47Å; V367-V369 HydrophobicContact CG1-CG2 4.48Å; V367-I377 WeakPolarHBondContact O-CA 3.21Å; V367-Y378 PolarHBondContact N-O 3.14Å; V367-Y378 PolarHBondContact O-N 3.26Å; V367-A380 HydrophobicContact CG2-CB 3.82Å
368	V	92.6	Very high	89.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.4	168.2	69	0	0	0	0	109.1	I358 Q359 Y375 I376 I377 F394 W396	I358-V368 WeakPolarHBondContact CA-O 3.4Å; Q359-V368 HydrophobicContact CB-CG1 3.88Å; Q359-V368 PolarHBondContact N-O 3.46Å; Q359-V368 VanDerWaalsContact N-O 3.09Å; Q359-V368 PolarHBondContact O-N 3.14Å; V368-Y375 HydrophobicContact CG2-CD2 4.32Å; V368-I376 WeakPolarHBondContact CA-O 3.2Å; V368-I377 HydrophobicContact CB-CG1 4.44Å; V368-I377 HydrophobicContact CG2-CG1 4.12Å; V368-F394 HydrophobicContact CB-CD1 4.18Å; V368-F394 HydrophobicContact CB-CE1 4.04Å; V368-F394 HydrophobicContact CB-CZ 4.19Å; V368-F394 HydrophobicContact CG1-CD1 3.65Å; V368-F394 HydrophobicContact CG1-CE1 3.76Å; V368-F394 HydrophobicContact CG1-CG 4.28Å; V368-F394 HydrophobicContact CG1-CZ 4.41Å; V368-F394 HydrophobicContact CG2-CD1 4.01Å; V368-F394 HydrophobicContact CG2-CD2 3.79Å; V368-F394 HydrophobicContact CG2-CE1 4.14Å; V368-F394 HydrophobicContact CG2-CE2 3.89Å; V368-F394 HydrophobicContact CG2-CG 3.86Å; V368-F394 HydrophobicContact CG2-CZ 4.07Å; V368-W396 HydrophobicContact CB-CZ2 4.05Å; V368-W396 HydrophobicContact CG1-CZ2 4.43Å
369	V	91.3	Very high	89.1	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.4	168.9	-179.1	0	0	0	0	106.7	I353 P355 I358 V367 Y375 I376 Y378	I353-V369 HydrophobicContact CD1-CG1 4.17Å; I353-V369 HydrophobicContact CG1-CG1 4.35Å; P355-V369 HydrophobicContact CB-CG1 3.51Å; I358-V369 HydrophobicContact CD1-CG2 4.5Å; I358-V369 HydrophobicContact CG1-CG2 4.24Å; V367-V369 HydrophobicContact CG1-CG2 4.48Å; V369-Y375 WeakPolarHBondContact O-CA 3.14Å; V369-I376 PolarHBondContact N-O 3.23Å; V369-I376 PolarHBondContact O-N 2.91Å; V369-Y378 HydrophobicContact CB-CD2 4.49Å; V369-Y378 HydrophobicContact CB-CE2 4.23Å; V369-Y378 HydrophobicContact CG2-CD2 3.87Å; V369-Y378 HydrophobicContact CG2-CE2 3.93Å
370	C	88.8	Confident	88.8	Confident	12 Å²	12	26.1 Å²	26.1	8%	0.081	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.1	175.2	-51.6	0	0	0	0	110.3	Q356 T357 E374 F394	Q356-C370 PolarHBondContact N-O 3.37Å; T357-C370 PolarHBondContact N-O 2.97Å; T357-C370 PolarHBondContact O-N 3.21Å; T357-C370 WeakPolarHBondContact OG1-CB 3.46Å; C370-E374 WeakPolarHBondContact CA-O 3.08Å; C370-F394 WeakPolarHBondContact SG-CB 3.44Å
371	G	85.6	Confident	88.3	Confident	4 Å²	4	32.4 Å²	32.4	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	149.4	-176.1	0	0	0	0	0	111.6	Y354 G373 E374	Y354-G371 VanDerWaalsContact O-CA 3.27Å; Y354-G371 WeakPolarHBondContact O-CA 3.38Å; G371-G373 PolarHBondContact O-N 3.44Å; G371-E374 PolarHBondContact N-O 3.01Å; G371-E374 CarbonylContact O-C 3.59Å; G371-E374 WeakPolarHBondContact O-CA 3.41Å; G371-E374 PolarHBondContact O-N 3.21Å
372	D	78.1	Confident	87.8	Confident	24 Å²	24	34.5 Å²	34.5	13%	0.128	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	23.6	172	-53.4	-29.6	0	0	0	116.7	M1 L3 Y354	M1-D372 PolarHBondContact N-O 3.25Å; L3-D372 VanDerWaalsContact CD1-OD1 3.22Å; L3-D372 WeakPolarHBondContact CD1-OD1 3.24Å; Y354-D372 PolarHBondContact N-OD2 2.96Å
373	G	82.1	Confident	87.7	Confident	18 Å²	18	32.6 Å²	32.6	19%	0.186	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	17.5	-176	0	0	0	0	0	113.9	G371 S390 A391	G371-G373 PolarHBondContact O-N 3.44Å; G373-S390 CarbonylContact O-C 3.53Å; G373-S390 WeakPolarHBondContact O-CA 3.5Å; G373-A391 CarbonylContact C-O 3.58Å; G373-A391 WeakPolarHBondContact CA-O 3.47Å; G373-A391 CarbonylContact O-C 3.5Å; G373-A391 PolarHBondContact O-N 3.16Å; G373-A391 VanDerWaalsContact O-O 3.06Å
374	E	89.1	Confident	87.8	Confident	78 Å²	78	37.1 Å²	37.1	36%	0.364	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.9	-179.2	-64.2	176	-171.1	0	0	110.2	I353 C370 G371 G389 A391	I353-E374 HydrophobicContact CG2-CB 4.32Å; I353-E374 WeakPolarHBondContact CG2-OE2 3.49Å; C370-E374 WeakPolarHBondContact CA-O 3.08Å; G371-E374 PolarHBondContact N-O 3.01Å; G371-E374 CarbonylContact O-C 3.59Å; G371-E374 WeakPolarHBondContact O-CA 3.41Å; G371-E374 PolarHBondContact O-N 3.21Å; E374-G389 CarbonylContact C-O 3.57Å; E374-G389 WeakPolarHBondContact CA-O 3.28Å; E374-A391 PolarHBondContact N-O 3.14Å
375	Y	92	Very high	88	Confident	7 Å²	7	40.1 Å²	40.1	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144	171.4	76	-80.8	0	0	0	109.7	V368 V369 I377 F388 G389 A391 F394 Y403 I405	V368-Y375 HydrophobicContact CG2-CD2 4.32Å; V369-Y375 WeakPolarHBondContact O-CA 3.14Å; Y375-I377 HydrophobicContact CD2-CD1 4.4Å; Y375-I377 HydrophobicContact CD2-CG1 3.99Å; Y375-I377 HydrophobicContact CE2-CD1 4.12Å; Y375-I377 HydrophobicContact CE2-CG1 4.1Å; Y375-F388 VanDerWaalsContact O-CA 3.24Å; Y375-F388 WeakPolarHBondContact O-CA 3.16Å; Y375-G389 WeakPolarHBondContact CD1-O 3.4Å; Y375-G389 PolarHBondContact N-O 3.36Å; Y375-G389 PolarHBondContact O-N 3.15Å; Y375-A391 HydrophobicContact CD1-CB 3.39Å; Y375-A391 HydrophobicContact CE1-CB 3.99Å; Y375-A391 HydrophobicContact CG-CB 4.24Å; Y375-F394 AromaticContact CD2-CD2 3.7Å; Y375-F394 HydrophobicContact CD2-CD2 3.7Å; Y375-F394 AromaticContact CD2-CE2 3.8Å; Y375-F394 HydrophobicContact CD2-CE2 3.8Å; Y375-F394 HydrophobicContact CE2-CD2 4.23Å; Y375-F394 HydrophobicContact CE2-CE2 4.03Å; Y375-F394 HydrophobicContact CG-CD2 4Å; Y375-Y403 HydrophobicContact CE2-CE2 4.02Å; Y375-I405 HydrophobicContact CD1-CG2 4.27Å; Y375-I405 HydrophobicContact CE1-CD1 3.66Å; Y375-I405 HydrophobicContact CE1-CG2 3.94Å; Y375-I405 HydrophobicContact CE2-CG2 4.43Å
376	I	92.3	Very high	88.1	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.1	174.8	-51.4	176	0	0	0	108.3	I353 V368 V369 Y378 F388	I353-I376 HydrophobicContact CD1-CD1 4.14Å; I353-I376 HydrophobicContact CD1-CG1 4.13Å; I353-I376 HydrophobicContact CG1-CD1 4.05Å; I353-I376 HydrophobicContact CG2-CD1 4.34Å; V368-I376 WeakPolarHBondContact CA-O 3.2Å; V369-I376 PolarHBondContact N-O 3.23Å; V369-I376 PolarHBondContact O-N 2.91Å; I376-Y378 HydrophobicContact CB-CD2 4.43Å; I376-Y378 HydrophobicContact CB-CE2 3.77Å; I376-Y378 HydrophobicContact CG2-CD1 4.27Å; I376-Y378 HydrophobicContact CG2-CD2 4.05Å; I376-Y378 HydrophobicContact CG2-CE1 3.76Å; I376-Y378 HydrophobicContact CG2-CE2 3.51Å; I376-Y378 HydrophobicContact CG2-CG 4.42Å; I376-F388 HydrophobicContact CG1-CB 4.17Å; I376-F388 HydrophobicContact CG2-CB 4.41Å
377	I	92.9	Very high	88	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.6	175	-50.3	-175.4	0	0	0	108.8	F366 V367 V368 Y375 K386 S387 F394 W396 Y403 F418	F366-I377 HydrophobicContact CB-CG2 3.93Å; F366-I377 HydrophobicContact CG-CG2 4.4Å; V367-I377 WeakPolarHBondContact O-CA 3.21Å; V368-I377 HydrophobicContact CB-CG1 4.44Å; V368-I377 HydrophobicContact CG2-CG1 4.12Å; Y375-I377 HydrophobicContact CD2-CD1 4.4Å; Y375-I377 HydrophobicContact CD2-CG1 3.99Å; Y375-I377 HydrophobicContact CE2-CD1 4.12Å; Y375-I377 HydrophobicContact CE2-CG1 4.1Å; I377-K386 PolarHBondContact O-N 2.96Å; I377-S387 VanDerWaalsContact CD1-OG 3.24Å; I377-S387 WeakPolarHBondContact CD1-OG 3.37Å; I377-S387 WeakPolarHBondContact CG1-OG 3.48Å; I377-S387 PolarHBondContact N-O 2.94Å; I377-F394 HydrophobicContact CD1-CE2 3.85Å; I377-F394 HydrophobicContact CD1-CZ 3.99Å; I377-F394 HydrophobicContact CG1-CE2 4.32Å; I377-W396 HydrophobicContact CD1-CH2 3.83Å; I377-W396 HydrophobicContact CD1-CZ2 4.32Å; I377-W396 HydrophobicContact CG2-CH2 4.08Å; I377-W396 HydrophobicContact CG2-CZ2 4.24Å; I377-Y403 HydrophobicContact CD1-CD1 4.25Å; I377-Y403 HydrophobicContact CD1-CE1 3.8Å; I377-Y403 HydrophobicContact CD1-CE2 4.25Å; I377-F418 HydrophobicContact CD1-CD1 4.1Å; I377-F418 HydrophobicContact CD1-CE1 4.06Å; I377-F418 HydrophobicContact CG2-CE1 4.06Å
378	Y	91.5	Very high	88	Confident	13 Å²	13	44.7 Å²	44.7	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	158.8	177.3	-64.6	-74.9	0	0	0	111.7	F366 V367 V369 I376 L383 R384 N385	F366-Y378 CarbonylContact C-O 3.58Å; F366-Y378 VanDerWaalsContact CA-O 3.27Å; F366-Y378 WeakPolarHBondContact CA-O 3.31Å; V367-Y378 PolarHBondContact N-O 3.14Å; V367-Y378 PolarHBondContact O-N 3.26Å; V369-Y378 HydrophobicContact CB-CD2 4.49Å; V369-Y378 HydrophobicContact CB-CE2 4.23Å; V369-Y378 HydrophobicContact CG2-CD2 3.87Å; V369-Y378 HydrophobicContact CG2-CE2 3.93Å; I376-Y378 HydrophobicContact CB-CD2 4.43Å; I376-Y378 HydrophobicContact CB-CE2 3.77Å; I376-Y378 HydrophobicContact CG2-CD1 4.27Å; I376-Y378 HydrophobicContact CG2-CD2 4.05Å; I376-Y378 HydrophobicContact CG2-CE1 3.76Å; I376-Y378 HydrophobicContact CG2-CE2 3.51Å; I376-Y378 HydrophobicContact CG2-CG 4.42Å; Y378-L383 HydrophobicContact CD1-CD1 4.43Å; Y378-L383 HydrophobicContact CD1-CG 3.92Å; Y378-L383 WeakPolarHBondContact CD1-O 3.35Å; Y378-L383 HydrophobicContact CD2-CD1 4.09Å; Y378-L383 HydrophobicContact CD2-CG 4.33Å; Y378-L383 HydrophobicContact CE1-CG 4.34Å; Y378-L383 HydrophobicContact CG-CD1 3.88Å; Y378-L383 HydrophobicContact CG-CG 3.89Å; Y378-R384 CarbonylContact C-O 3.51Å; Y378-R384 WeakPolarHBondContact CA-O 3.44Å; Y378-N385 HydrophobicContact CD1-CB 4.29Å; Y378-N385 HydrophobicContact CE1-CB 4.16Å
379	T	90.4	Very high	87.9	Confident	24 Å²	24	45.8 Å²	45.8	15%	0.147	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.6	162.9	61.9	0	0	0	0	110.3	F366 M381 A382 L383 R384 K386	F366-T379 HydrophobicContact CD1-CG2 4.28Å; F366-T379 HydrophobicContact CE1-CG2 4.11Å; T379-M381 PolarHBondContact O-N 3.03Å; T379-M381 VanDerWaalsContact O-N 3.13Å; T379-A382 PolarHBondContact O-N 2.84Å; T379-L383 VanDerWaalsContact O-CA 3.32Å; T379-L383 WeakPolarHBondContact O-CA 3.44Å; T379-L383 PolarHBondContact O-N 3.12Å; T379-R384 HydrophobicContact CG2-CB 4.43Å; T379-R384 PolarHBondContact N-O 3Å; T379-R384 PolarHBondContact OG1-N 3.42Å; T379-R384 VanDerWaalsContact OG1-N 3.17Å; T379-K386 HydrophobicContact CG2-CD 4.23Å; T379-K386 HydrophobicContact CG2-CG 3.86Å
380	A	84	Confident	87.7	Confident	6 Å²	6	48.6 Å²	48.6	5%	0.05	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.1	-175.1	0	0	0	0	0	113.6	I315 G364 R365 V367	I315-A380 HydrophobicContact CD1-CB 4.35Å; G364-A380 VanDerWaalsContact O-CB 3.28Å; G364-A380 WeakPolarHBondContact O-CB 3.15Å; R365-A380 PolarHBondContact O-N 2.92Å; V367-A380 HydrophobicContact CG2-CB 3.82Å
381	M	81.4	Confident	87.6	Confident	150 Å²	150	48.3 Å²	48.3	74%	0.739	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-26.4	-175	-70.6	-174	67.5	0	0	115.4	M348 T379	M348-M381 WeakPolarHBondContact CE-O 3.26Å; T379-M381 PolarHBondContact O-N 3.03Å; T379-M381 VanDerWaalsContact O-N 3.13Å
382	A	81.7	Confident	87.6	Confident	46 Å²	46	51.3 Å²	51.3	38%	0.38	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	11.8	-168.9	0	0	0	0	0	113.1	T379 R384	T379-A382 PolarHBondContact O-N 2.84Å; A382-R384 HydrophobicContact CB-CG 4.28Å; A382-R384 PolarHBondContact O-N 3.44Å
383	L	84.3	Confident	88	Confident	22 Å²	22	52.1 Å²	52.1	12%	0.115	27%	0.267	C	S	.	.			trans	46.7	38.1	-178.2	-148	74.1	0	0	0	113.5	V322 M348 Y378 T379	V322-L383 HydrophobicContact CB-CD2 4.13Å; V322-L383 HydrophobicContact CG1-CD1 4.14Å; V322-L383 HydrophobicContact CG2-CD2 4.44Å; M348-L383 HydrophobicContact CB-CD2 4.39Å; M348-L383 HydrophobicContact CE-CB 4.47Å; Y378-L383 HydrophobicContact CD1-CD1 4.43Å; Y378-L383 HydrophobicContact CD1-CG 3.92Å; Y378-L383 WeakPolarHBondContact CD1-O 3.35Å; Y378-L383 HydrophobicContact CD2-CD1 4.09Å; Y378-L383 HydrophobicContact CD2-CG 4.33Å; Y378-L383 HydrophobicContact CE1-CG 4.34Å; Y378-L383 HydrophobicContact CG-CD1 3.88Å; Y378-L383 HydrophobicContact CG-CG 3.89Å; T379-L383 VanDerWaalsContact O-CA 3.32Å; T379-L383 WeakPolarHBondContact O-CA 3.44Å; T379-L383 PolarHBondContact O-N 3.12Å
384	R	86.9	Confident	88.5	Confident	178 Å²	178	52 Å²	52	67%	0.672	26%	0.262	S	S	*	.			trans	-84.9	125.8	179.1	-73.5	-173.9	-101.1	177.2	-7.3	110.3	Y378 T379 A382 K386	Y378-R384 CarbonylContact C-O 3.51Å; Y378-R384 WeakPolarHBondContact CA-O 3.44Å; T379-R384 HydrophobicContact CG2-CB 4.43Å; T379-R384 PolarHBondContact N-O 3Å; T379-R384 PolarHBondContact OG1-N 3.42Å; T379-R384 VanDerWaalsContact OG1-N 3.17Å; A382-R384 HydrophobicContact CB-CG 4.28Å; A382-R384 PolarHBondContact O-N 3.44Å; R384-K386 PolarHBondContact O-N 2.82Å
385	N	90.1	Very high	88.7	Confident	73 Å²	73	48.5 Å²	48.5	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	131	179.1	-171.3	-35.1	0	0	0	110.7	Y378 S387	Y378-N385 HydrophobicContact CD1-CB 4.29Å; Y378-N385 HydrophobicContact CE1-CB 4.16Å; N385-S387 PolarHBondContact OD1-N 3.37Å; N385-S387 PolarHBondContact OD1-O 3.31Å
386	K	90.6	Very high	88.8	Confident	113 Å²	113	48.9 Å²	48.9	49%	0.491	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-46.3	176.1	-76.2	-57.1	-157.1	175.9	0	112.6	F366 I377 T379 R384 F418	F366-K386 HydrophobicContact CD1-CG 4.24Å; F366-K386 HydrophobicContact CE1-CG 3.96Å; I377-K386 PolarHBondContact O-N 2.96Å; T379-K386 HydrophobicContact CG2-CD 4.23Å; T379-K386 HydrophobicContact CG2-CG 3.86Å; R384-K386 PolarHBondContact O-N 2.82Å; K386-F418 HydrophobicContact CB-CE1 4.49Å
387	S	90.8	Very high	88.8	Confident	16 Å²	16	48.8 Å²	48.8	11%	0.112	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	156.6	176.2	61.5	0	0	0	0	109.4	I377 N385	I377-S387 VanDerWaalsContact CD1-OG 3.24Å; I377-S387 WeakPolarHBondContact CD1-OG 3.37Å; I377-S387 WeakPolarHBondContact CG1-OG 3.48Å; I377-S387 PolarHBondContact N-O 2.94Å; N385-S387 PolarHBondContact OD1-N 3.37Å; N385-S387 PolarHBondContact OD1-O 3.31Å
388	F	91.2	Very high	88.5	Confident	149 Å²	149	52.8 Å²	52.8	65%	0.654	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	159	175.9	61.6	-86.9	0	0	0	108.9	Y375 I376	Y375-F388 VanDerWaalsContact O-CA 3.24Å; Y375-F388 WeakPolarHBondContact O-CA 3.16Å; I376-F388 HydrophobicContact CG1-CB 4.17Å; I376-F388 HydrophobicContact CG2-CB 4.41Å
389	G	90.2	Very high	88.1	Confident	22 Å²	22	55.9 Å²	55.9	23%	0.227	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	177.9	174.3	0	0	0	0	0	112.3	E374 Y375	E374-G389 CarbonylContact C-O 3.57Å; E374-G389 WeakPolarHBondContact CA-O 3.28Å; Y375-G389 WeakPolarHBondContact CD1-O 3.4Å; Y375-G389 PolarHBondContact N-O 3.36Å; Y375-G389 PolarHBondContact O-N 3.15Å
390	S	88.6	Confident	87.8	Confident	61 Å²	61	55.9 Å²	55.9	43%	0.427	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.2	175.5	-49.9	0	0	0	0	110.2	G373	G373-S390 CarbonylContact O-C 3.53Å; G373-S390 WeakPolarHBondContact O-CA 3.5Å
391	A	86.8	Confident	87.9	Confident	6 Å²	6	56.9 Å²	56.9	5%	0.05	29%	0.291	C	S	.	.			trans	-153.1	139.2	172.8	0	0	0	0	0	110.1	G373 E374 Y375 I405	G373-A391 CarbonylContact C-O 3.58Å; G373-A391 WeakPolarHBondContact CA-O 3.47Å; G373-A391 CarbonylContact O-C 3.5Å; G373-A391 PolarHBondContact O-N 3.16Å; G373-A391 VanDerWaalsContact O-O 3.06Å; E374-A391 PolarHBondContact N-O 3.14Å; Y375-A391 HydrophobicContact CD1-CB 3.39Å; Y375-A391 HydrophobicContact CE1-CB 3.99Å; Y375-A391 HydrophobicContact CG-CB 4.24Å; A391-I405 HydrophobicContact CB-CB 3.84Å; A391-I405 HydrophobicContact CB-CD1 4.41Å; A391-I405 HydrophobicContact CB-CG2 4.2Å
392	Q	84.3	Confident	88.4	Confident	67 Å²	67	50 Å²	50	31%	0.313	26%	0.256	S	S	.	.	S	Bend	trans	-76.6	-35.6	169.9	-61.6	-172.6	21.2	0	0	111.1	R406 N409	Q392-R406 PolarHBondContact N-O 2.64Å; Q392-N409 PolarHBondContact OE1-OD1 2.83Å
393	E	87.5	Confident	89	Confident	40 Å²	40	47.8 Å²	47.8	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.3	179.1	-73.9	172.7	-162	0	0	110.6	I405 R406 S432 I433	E393-I405 WeakPolarHBondContact O-CA 3.37Å; E393-R406 HydrophobicContact CB-CB 4.21Å; E393-R406 PolarHBondContact O-N 3.17Å; E393-R406 IonicContact OE1-CZ 3.54Å; E393-R406 IonicContact OE1-NE 2.97Å; E393-R406 IonicContact OE1-NH2 3.85Å; E393-R406 PolarHBondContact OE1-NH2 3.38Å; E393-R406 IonicContact OE2-CZ 3.98Å; E393-R406 IonicContact OE2-NE 2.75Å; E393-R406 PolarHBondContact OE2-NE 3.3Å; E393-R406 IonicContact OE2-NH2 3.86Å; E393-S432 PolarHBondContact OE1-OG 2.98Å; E393-S432 VanDerWaalsContact OE1-OG 3.04Å; E393-S432 WeakPolarHBondContact OE2-CA 3.36Å; E393-S432 WeakPolarHBondContact OE2-CB 3.39Å; E393-I433 HydrophobicContact CB-CD1 4.31Å; E393-I433 HydrophobicContact CB-CG1 3.89Å; E393-I433 PolarHBondContact OE2-N 3.46Å
394	F	92.8	Very high	89.4	Confident	16 Å²	16	46.8 Å²	46.8	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.5	-177.5	-176.5	-76.3	0	0	0	109.1	V368 C370 Y375 I377 W396 Y403 I405	V368-F394 HydrophobicContact CB-CD1 4.18Å; V368-F394 HydrophobicContact CB-CE1 4.04Å; V368-F394 HydrophobicContact CB-CZ 4.19Å; V368-F394 HydrophobicContact CG1-CD1 3.65Å; V368-F394 HydrophobicContact CG1-CE1 3.76Å; V368-F394 HydrophobicContact CG1-CG 4.28Å; V368-F394 HydrophobicContact CG1-CZ 4.41Å; V368-F394 HydrophobicContact CG2-CD1 4.01Å; V368-F394 HydrophobicContact CG2-CD2 3.79Å; V368-F394 HydrophobicContact CG2-CE1 4.14Å; V368-F394 HydrophobicContact CG2-CE2 3.89Å; V368-F394 HydrophobicContact CG2-CG 3.86Å; V368-F394 HydrophobicContact CG2-CZ 4.07Å; C370-F394 WeakPolarHBondContact SG-CB 3.44Å; Y375-F394 AromaticContact CD2-CD2 3.7Å; Y375-F394 HydrophobicContact CD2-CD2 3.7Å; Y375-F394 AromaticContact CD2-CE2 3.8Å; Y375-F394 HydrophobicContact CD2-CE2 3.8Å; Y375-F394 HydrophobicContact CE2-CD2 4.23Å; Y375-F394 HydrophobicContact CE2-CE2 4.03Å; Y375-F394 HydrophobicContact CG-CD2 4Å; I377-F394 HydrophobicContact CD1-CE2 3.85Å; I377-F394 HydrophobicContact CD1-CZ 3.99Å; I377-F394 HydrophobicContact CG1-CE2 4.32Å; F394-W396 AromaticContact CE1-CD1 3.72Å; F394-W396 AromaticContact CE1-CD2 3.53Å; F394-W396 HydrophobicContact CE1-CD2 3.53Å; F394-W396 AromaticContact CE1-CE2 3.35Å; F394-W396 HydrophobicContact CE1-CE3 4.15Å; F394-W396 AromaticContact CE1-CG 3.75Å; F394-W396 HydrophobicContact CE1-CG 3.75Å; F394-W396 HydrophobicContact CE1-CH2 4.42Å; F394-W396 AromaticContact CE1-CZ2 3.84Å; F394-W396 HydrophobicContact CE1-CZ2 3.84Å; F394-W396 AromaticContact CE1-NE1 3.48Å; F394-W396 AromaticContact CZ-CD2 3.89Å; F394-W396 HydrophobicContact CZ-CD2 3.89Å; F394-W396 AromaticContact CZ-CE2 3.65Å; F394-W396 HydrophobicContact CZ-CE3 4.09Å; F394-W396 AromaticContact CZ-CH2 3.87Å; F394-W396 HydrophobicContact CZ-CH2 3.87Å; F394-W396 AromaticContact CZ-CZ2 3.65Å; F394-W396 HydrophobicContact CZ-CZ2 3.65Å; F394-W396 HydrophobicContact CZ-CZ3 4.08Å; F394-Y403 HydrophobicContact CD2-CD2 4.15Å; F394-Y403 AromaticContact CE2-CD2 3.25Å; F394-Y403 HydrophobicContact CE2-CD2 3.25Å; F394-Y403 AromaticContact CE2-CE2 3.74Å; F394-Y403 HydrophobicContact CE2-CE2 3.74Å; F394-Y403 AromaticContact CE2-CG 3.74Å; F394-Y403 HydrophobicContact CE2-CG 3.74Å; F394-Y403 VanDerWaalsContact CZ-CB 3.47Å; F394-Y403 HydrophobicContact CZ-CD1 4.3Å; F394-Y403 AromaticContact CZ-CD2 3.59Å; F394-Y403 HydrophobicContact CZ-CD2 3.59Å; F394-Y403 HydrophobicContact CZ-CE2 4.37Å; F394-Y403 AromaticContact CZ-CG 3.55Å; F394-Y403 HydrophobicContact CZ-CG 3.55Å; F394-I405 HydrophobicContact CD2-CG2 3.58Å; F394-I405 HydrophobicContact CE2-CG2 4.08Å; F394-I405 HydrophobicContact CG-CG2 4.44Å
395	A	93	Very high	89.7	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.3	175.4	0	0	0	0	0	111.2	Y403 A404 I433	A395-Y403 WeakPolarHBondContact O-CA 3.32Å; A395-Y403 WeakPolarHBondContact O-CB 3.37Å; A395-A404 PolarHBondContact N-O 3.2Å; A395-A404 PolarHBondContact O-N 3.05Å; A395-I433 HydrophobicContact CB-CD1 3.95Å; A395-I433 HydrophobicContact CB-CG1 4.12Å
396	W	93.9	Very high	89.8	Confident	16 Å²	16	35.7 Å²	35.7	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	140.2	171.5	-71.7	111.5	0	0	0	111.3	N361 F366 V368 I377 F394 Y403 G435 G436	N361-W396 HydrophobicContact CB-CD2 3.74Å; N361-W396 HydrophobicContact CB-CE3 3.97Å; N361-W396 HydrophobicContact CB-CG 4.31Å; N361-W396 HydrophobicContact CB-CH2 4.12Å; N361-W396 HydrophobicContact CB-CZ2 3.89Å; N361-W396 HydrophobicContact CB-CZ3 4.16Å; F366-W396 HydrophobicContact CB-CH2 4.36Å; F366-W396 HydrophobicContact CB-CZ2 4.45Å; V368-W396 HydrophobicContact CB-CZ2 4.05Å; V368-W396 HydrophobicContact CG1-CZ2 4.43Å; I377-W396 HydrophobicContact CD1-CH2 3.83Å; I377-W396 HydrophobicContact CD1-CZ2 4.32Å; I377-W396 HydrophobicContact CG2-CH2 4.08Å; I377-W396 HydrophobicContact CG2-CZ2 4.24Å; F394-W396 AromaticContact CE1-CD1 3.72Å; F394-W396 AromaticContact CE1-CD2 3.53Å; F394-W396 HydrophobicContact CE1-CD2 3.53Å; F394-W396 AromaticContact CE1-CE2 3.35Å; F394-W396 HydrophobicContact CE1-CE3 4.15Å; F394-W396 AromaticContact CE1-CG 3.75Å; F394-W396 HydrophobicContact CE1-CG 3.75Å; F394-W396 HydrophobicContact CE1-CH2 4.42Å; F394-W396 AromaticContact CE1-CZ2 3.84Å; F394-W396 HydrophobicContact CE1-CZ2 3.84Å; F394-W396 AromaticContact CE1-NE1 3.48Å; F394-W396 AromaticContact CZ-CD2 3.89Å; F394-W396 HydrophobicContact CZ-CD2 3.89Å; F394-W396 AromaticContact CZ-CE2 3.65Å; F394-W396 HydrophobicContact CZ-CE3 4.09Å; F394-W396 AromaticContact CZ-CH2 3.87Å; F394-W396 HydrophobicContact CZ-CH2 3.87Å; F394-W396 AromaticContact CZ-CZ2 3.65Å; F394-W396 HydrophobicContact CZ-CZ2 3.65Å; F394-W396 HydrophobicContact CZ-CZ3 4.08Å; W396-Y403 HydrophobicContact CE3-CD1 4.46Å; W396-Y403 HydrophobicContact CE3-CG 4.48Å; W396-Y403 HydrophobicContact CH2-CD1 4.4Å; W396-Y403 AromaticContact CZ3-CD1 3.8Å; W396-Y403 HydrophobicContact CZ3-CD1 3.8Å; W396-Y403 HydrophobicContact CZ3-CG 4.19Å; W396-G435 WeakPolarHBondContact O-CA 3.37Å; W396-G436 PolarHBondContact O-N 3.28Å
397	A	92.6	Very high	89.6	Confident	3 Å²	3	34 Å²	34	3%	0.025	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-74.1	163.3	161.8	0	0	0	0	0	109.9	P362 D399 E402 W452	P362-A397 VanDerWaalsContact CG-O 3.25Å; P362-A397 WeakPolarHBondContact CG-O 3.43Å; A397-D399 VanDerWaalsContact C-N 3.25Å; A397-E402 HydrophobicContact CB-CB 3.8Å; A397-E402 WeakPolarHBondContact CB-O 3.25Å; A397-E402 PolarHBondContact N-O 3.02Å; A397-E402 VanDerWaalsContact N-O 3.1Å; A397-W452 HydrophobicContact CB-CD2 3.76Å; A397-W452 HydrophobicContact CB-CE3 3.97Å; A397-W452 HydrophobicContact CB-CG 4.37Å; A397-W452 HydrophobicContact CB-CH2 3.92Å; A397-W452 HydrophobicContact CB-CZ2 3.7Å; A397-W452 HydrophobicContact CB-CZ3 4.04Å
398	H	85.7	Confident	89.3	Confident	84 Å²	84	35 Å²	35	39%	0.389	19%	0.187	S	C	.	.	S	Bend	trans	-62.7	-36.2	168.3	-176.2	82.7	0	0	0	111.2	S400 G436 F437	H398-S400 PolarHBondContact O-N 3.38Å; H398-S400 VanDerWaalsContact O-N 3.13Å; H398-G436 PolarHBondContact N-O 3.38Å; H398-F437 HydrophobicContact CB-CD1 4.49Å; H398-F437 HydrophobicContact CB-CD2 4.23Å; H398-F437 HydrophobicContact CB-CE2 4.24Å; H398-F437 HydrophobicContact CB-CG 4.35Å; H398-F437 HydrophobicContact CB-CZ 4.4Å; H398-F437 AromaticContact CD2-CE1 3.77Å; H398-F437 AromaticContact CD2-CZ 3.6Å; H398-F437 AromaticContact CE1-CE2 3.79Å; H398-F437 AromaticContact CE1-CZ 3.5Å; H398-F437 VanDerWaalsContact CE1-CZ 3.5Å; H398-F437 WeakPolarHBondContact CE1-CZ 3.39Å; H398-F437 AromaticContact CG-CE1 3.99Å; H398-F437 AromaticContact CG-CE2 3.71Å; H398-F437 AromaticContact CG-CZ 3.6Å; H398-F437 AromaticContact ND1-CE2 3.45Å; H398-F437 WeakPolarHBondContact ND1-CE2 3.39Å; H398-F437 AromaticContact ND1-CZ 3.55Å; H398-F437 AromaticContact NE2-CZ 3.56Å
399	D	84.4	Confident	88.9	Confident	77 Å²	77	32.2 Å²	32.2	41%	0.412	18%	0.179	S	C	.	.	S	Bend	trans	-65.2	114.4	165.3	-178.2	10.6	0	0	0	109	A397 S401 E402	A397-D399 VanDerWaalsContact C-N 3.25Å; D399-S401 PolarHBondContact O-N 3.28Å; D399-S401 PolarHBondContact OD1-N 2.92Å; D399-S401 PolarHBondContact OD1-OG 3.37Å; D399-S401 PolarHBondContact OD2-OG 3.46Å; D399-E402 PolarHBondContact O-N 2.68Å
400	S	83.2	Confident	88.6	Confident	24 Å²	24	34 Å²	34	17%	0.168	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.6	-177.2	-64.3	0	0	0	0	114.5	N363 H398	N363-S400 WeakPolarHBondContact CB-OG 3.47Å; N363-S400 PolarHBondContact N-OG 3.36Å; N363-S400 WeakPolarHBondContact ND2-CB 3.41Å; N363-S400 PolarHBondContact ND2-OG 2.94Å; H398-S400 PolarHBondContact O-N 3.38Å; H398-S400 VanDerWaalsContact O-N 3.13Å
401	S	86.3	Confident	88.7	Confident	27 Å²	27	32 Å²	32	19%	0.189	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-14.7	177.8	87.4	0	0	0	0	114.3	D399 N417	D399-S401 PolarHBondContact O-N 3.28Å; D399-S401 PolarHBondContact OD1-N 2.92Å; D399-S401 PolarHBondContact OD1-OG 3.37Å; D399-S401 PolarHBondContact OD2-OG 3.46Å; S401-N417 PolarHBondContact O-N 3.46Å
402	E	91.4	Very high	88.9	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.023	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.1	-173.7	-65.3	-167.4	168.4	0	0	112.8	A397 D399 F415 K416 K421	A397-E402 HydrophobicContact CB-CB 3.8Å; A397-E402 WeakPolarHBondContact CB-O 3.25Å; A397-E402 PolarHBondContact N-O 3.02Å; A397-E402 VanDerWaalsContact N-O 3.1Å; D399-E402 PolarHBondContact O-N 2.68Å; E402-F415 VanDerWaalsContact CA-O 3.25Å; E402-F415 WeakPolarHBondContact CA-O 3.47Å; E402-K416 HydrophobicContact CG-CB 3.92Å; E402-K416 HydrophobicContact CG-CD 4.21Å; E402-K416 HydrophobicContact CG-CG 3.72Å; E402-K416 WeakPolarHBondContact OE1-CD 3.44Å; E402-K416 VanDerWaalsContact OE1-CE 3.27Å; E402-K416 WeakPolarHBondContact OE1-CE 3.44Å; E402-K416 IonicContact OE1-NZ 2.76Å; E402-K416 PolarHBondContact OE1-NZ 2.79Å; E402-K421 IonicContact OE1-NZ 3.55Å; E402-K421 PolarHBondContact OE1-NZ 3.02Å; E402-K421 IonicContact OE2-NZ 3.15Å
403	Y	93.9	Very high	89.3	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.7	174.4	61.9	-90.2	0	0	0	111.3	Y375 I377 F394 A395 W396 I405 I414 F415 F418	Y375-Y403 HydrophobicContact CE2-CE2 4.02Å; I377-Y403 HydrophobicContact CD1-CD1 4.25Å; I377-Y403 HydrophobicContact CD1-CE1 3.8Å; I377-Y403 HydrophobicContact CD1-CE2 4.25Å; F394-Y403 HydrophobicContact CD2-CD2 4.15Å; F394-Y403 AromaticContact CE2-CD2 3.25Å; F394-Y403 HydrophobicContact CE2-CD2 3.25Å; F394-Y403 AromaticContact CE2-CE2 3.74Å; F394-Y403 HydrophobicContact CE2-CE2 3.74Å; F394-Y403 AromaticContact CE2-CG 3.74Å; F394-Y403 HydrophobicContact CE2-CG 3.74Å; F394-Y403 VanDerWaalsContact CZ-CB 3.47Å; F394-Y403 HydrophobicContact CZ-CD1 4.3Å; F394-Y403 AromaticContact CZ-CD2 3.59Å; F394-Y403 HydrophobicContact CZ-CD2 3.59Å; F394-Y403 HydrophobicContact CZ-CE2 4.37Å; F394-Y403 AromaticContact CZ-CG 3.55Å; F394-Y403 HydrophobicContact CZ-CG 3.55Å; A395-Y403 WeakPolarHBondContact O-CA 3.32Å; A395-Y403 WeakPolarHBondContact O-CB 3.37Å; W396-Y403 HydrophobicContact CE3-CD1 4.46Å; W396-Y403 HydrophobicContact CE3-CG 4.48Å; W396-Y403 HydrophobicContact CH2-CD1 4.4Å; W396-Y403 AromaticContact CZ3-CD1 3.8Å; W396-Y403 HydrophobicContact CZ3-CD1 3.8Å; W396-Y403 HydrophobicContact CZ3-CG 4.19Å; Y403-I405 HydrophobicContact CD2-CG2 3.92Å; Y403-I405 HydrophobicContact CE2-CG2 4.02Å; Y403-I414 WeakPolarHBondContact O-CA 3.49Å; Y403-F415 HydrophobicContact CD1-CB 3.97Å; Y403-F415 HydrophobicContact CD2-CB 3.93Å; Y403-F415 HydrophobicContact CD2-CD2 4.14Å; Y403-F415 HydrophobicContact CD2-CG 4.26Å; Y403-F415 HydrophobicContact CE1-CB 3.52Å; Y403-F415 HydrophobicContact CE1-CG 4.31Å; Y403-F415 HydrophobicContact CE2-CB 3.48Å; Y403-F415 VanDerWaalsContact CE2-CB 3.48Å; Y403-F415 HydrophobicContact CE2-CD1 4.25Å; Y403-F415 AromaticContact CE2-CD2 3.58Å; Y403-F415 HydrophobicContact CE2-CD2 3.58Å; Y403-F415 HydrophobicContact CE2-CE2 4.43Å; Y403-F415 AromaticContact CE2-CG 3.5Å; Y403-F415 HydrophobicContact CE2-CG 3.5Å; Y403-F415 VanDerWaalsContact CE2-CG 3.5Å; Y403-F415 HydrophobicContact CG-CB 4.16Å; Y403-F415 AromaticContact CZ-CD1 4Å; Y403-F415 AromaticContact CZ-CG 3.53Å; Y403-F415 PolarHBondContact N-O 3.16Å; Y403-F415 PolarHBondContact O-N 3.13Å; Y403-F415 WeakPolarHBondContact OH-CD1 3.35Å; Y403-F418 AromaticContact CE1-CD1 3.93Å; Y403-F418 HydrophobicContact CE1-CD1 3.93Å; Y403-F418 HydrophobicContact CE1-CE1 4.47Å
404	A	93.8	Very high	89.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.5	173.2	0	0	0	0	0	110.4	A395 V412 K413 I414 I433 L439 W452	A395-A404 PolarHBondContact N-O 3.2Å; A395-A404 PolarHBondContact O-N 3.05Å; A404-V412 HydrophobicContact CB-CG1 4.27Å; A404-K413 CarbonylContact C-O 3.59Å; A404-K413 VanDerWaalsContact CA-O 3.31Å; A404-K413 WeakPolarHBondContact CA-O 3.25Å; A404-I414 HydrophobicContact CB-CG1 4.47Å; A404-I433 HydrophobicContact CB-CD1 4.29Å; A404-L439 HydrophobicContact CB-CD1 3.66Å; A404-L439 HydrophobicContact CB-CD2 4.19Å; A404-W452 HydrophobicContact CB-CH2 3.69Å; A404-W452 HydrophobicContact CB-CZ3 3.55Å
405	I	93.7	Very high	89.6	Confident	5 Å²	5	28.5 Å²	28.5	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.4	169.8	67.1	175.6	0	0	0	110.3	Y375 A391 E393 F394 Y403 V412 K413 F415	Y375-I405 HydrophobicContact CD1-CG2 4.27Å; Y375-I405 HydrophobicContact CE1-CD1 3.66Å; Y375-I405 HydrophobicContact CE1-CG2 3.94Å; Y375-I405 HydrophobicContact CE2-CG2 4.43Å; A391-I405 HydrophobicContact CB-CB 3.84Å; A391-I405 HydrophobicContact CB-CD1 4.41Å; A391-I405 HydrophobicContact CB-CG2 4.2Å; E393-I405 WeakPolarHBondContact O-CA 3.37Å; F394-I405 HydrophobicContact CD2-CG2 3.58Å; F394-I405 HydrophobicContact CE2-CG2 4.08Å; F394-I405 HydrophobicContact CG-CG2 4.44Å; Y403-I405 HydrophobicContact CD2-CG2 3.92Å; Y403-I405 HydrophobicContact CE2-CG2 4.02Å; I405-V412 WeakPolarHBondContact O-CA 3.28Å; I405-K413 HydrophobicContact CD1-CB 4.45Å; I405-K413 HydrophobicContact CG1-CB 3.91Å; I405-K413 PolarHBondContact N-O 3.39Å; I405-K413 PolarHBondContact O-N 2.67Å; I405-F415 HydrophobicContact CD1-CD2 4.36Å; I405-F415 HydrophobicContact CD1-CE2 3.44Å; I405-F415 VanDerWaalsContact CD1-CE2 3.44Å; I405-F415 HydrophobicContact CD1-CZ 3.94Å; I405-F415 HydrophobicContact CG1-CD2 4.3Å; I405-F415 HydrophobicContact CG1-CE2 3.68Å
406	R	91.5	Very high	89.5	Confident	13 Å²	13	31.8 Å²	31.8	5%	0.049	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	103.6	171.5	-169.6	170.9	63	75.6	-2.5	108.7	Q392 E393 S408 N409 A430 E431 I433	Q392-R406 PolarHBondContact N-O 2.64Å; E393-R406 HydrophobicContact CB-CB 4.21Å; E393-R406 PolarHBondContact O-N 3.17Å; E393-R406 IonicContact OE1-CZ 3.54Å; E393-R406 IonicContact OE1-NE 2.97Å; E393-R406 IonicContact OE1-NH2 3.85Å; E393-R406 PolarHBondContact OE1-NH2 3.38Å; E393-R406 IonicContact OE2-CZ 3.98Å; E393-R406 IonicContact OE2-NE 2.75Å; E393-R406 PolarHBondContact OE2-NE 3.3Å; E393-R406 IonicContact OE2-NH2 3.86Å; R406-S408 VanDerWaalsContact CG-O 3.27Å; R406-S408 WeakPolarHBondContact CG-O 3.35Å; R406-N409 PolarHBondContact NH1-OD1 2.95Å; R406-A430 WeakPolarHBondContact CD-O 3.43Å; R406-A430 HydrophobicContact CG-CB 4.46Å; R406-E431 PolarHBondContact NE-O 3.01Å; R406-E431 PolarHBondContact NH2-O 3.38Å; R406-E431 VanDerWaalsContact NH2-O 3.11Å; R406-I433 HydrophobicContact CB-CD1 4.07Å; R406-I433 HydrophobicContact CB-CG1 4.32Å; R406-I433 HydrophobicContact CB-CG2 4.26Å
407	E	86.4	Confident	89.3	Confident	77 Å²	77	36 Å²	36	36%	0.36	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-40	179.6	-175.9	176.8	-131.4	0	0	111	V411 K413	E407-V411 PolarHBondContact N-O 3.42Å; E407-K413 IonicContact OE1-NZ 3.62Å; E407-K413 PolarHBondContact OE1-NZ 2.91Å; E407-K413 WeakPolarHBondContact OE2-CE 3.37Å; E407-K413 IonicContact OE2-NZ 2.83Å; E407-K413 PolarHBondContact OE2-NZ 3.46Å
408	S	84.2	Confident	89.2	Confident	37 Å²	37	39 Å²	39	26%	0.259	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	174.4	177.9	67.2	0	0	0	0	110.7	R406 S410 V411	R406-S408 VanDerWaalsContact CG-O 3.27Å; R406-S408 WeakPolarHBondContact CG-O 3.35Å; S408-S410 PolarHBondContact O-N 3.15Å; S408-V411 PolarHBondContact O-N 3.03Å; S408-V411 PolarHBondContact OG-N 3.39Å
409	N	82.4	Confident	89.4	Confident	92 Å²	92	42.8 Å²	42.8	49%	0.492	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.9	-179.8	-66.7	7.4	0	0	0	114.2	Q392 R406 A430	Q392-N409 PolarHBondContact OE1-OD1 2.83Å; R406-N409 PolarHBondContact NH1-OD1 2.95Å; N409-A430 CarbonylContact C-O 3.59Å; N409-A430 VanDerWaalsContact CA-O 3.3Å; N409-A430 WeakPolarHBondContact CA-O 3.48Å; N409-A430 PolarHBondContact O-N 3.39Å
410	S	84.6	Confident	89.7	Confident	58 Å²	58	44.1 Å²	44.1	41%	0.406	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-5.2	-177.4	58.9	0	0	0	0	114.2	S408 K425	S408-S410 PolarHBondContact O-N 3.15Å; S410-K425 WeakPolarHBondContact O-CA 3.42Å; S410-K425 WeakPolarHBondContact O-CB 3.39Å; S410-K425 WeakPolarHBondContact O-CG 3.29Å
411	V	89.9	Confident	89.9	Confident	19 Å²	19	46.5 Å²	46.5	12%	0.115	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.2	-174.1	-177.3	0	0	0	0	110.2	E407 S408 K413 S423 K425	E407-V411 PolarHBondContact N-O 3.42Å; S408-V411 PolarHBondContact O-N 3.03Å; S408-V411 PolarHBondContact OG-N 3.39Å; V411-K413 HydrophobicContact CG1-CG 4.3Å; V411-S423 WeakPolarHBondContact CG1-OG 3.42Å; V411-K425 HydrophobicContact CG2-CG 4.25Å
412	V	92.3	Very high	90	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130	172.5	-176.9	0	0	0	0	108.5	A404 I405 F424 P426 A430 I433 L439	A404-V412 HydrophobicContact CB-CG1 4.27Å; I405-V412 WeakPolarHBondContact O-CA 3.28Å; V412-F424 HydrophobicContact CB-CE1 4.04Å; V412-F424 HydrophobicContact CB-CZ 4.25Å; V412-F424 HydrophobicContact CG1-CE1 4.08Å; V412-F424 HydrophobicContact CG1-CZ 4.41Å; V412-F424 PolarHBondContact N-O 2.83Å; V412-F424 VanDerWaalsContact N-O 3.09Å; V412-F424 PolarHBondContact O-N 3.3Å; V412-P426 HydrophobicContact CG2-CG 4.06Å; V412-A430 HydrophobicContact CG2-CB 3.89Å; V412-I433 HydrophobicContact CG1-CG2 4.48Å; V412-I433 HydrophobicContact CG2-CG2 4.19Å; V412-L439 HydrophobicContact CG1-CD2 4.15Å
413	K	92.6	Very high	89.9	Confident	34 Å²	34	51.6 Å²	51.6	15%	0.148	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.6	178.7	-65.7	-177.8	178.9	169.9	0	109.8	A404 I405 E407 V411 F415	A404-K413 CarbonylContact C-O 3.59Å; A404-K413 VanDerWaalsContact CA-O 3.31Å; A404-K413 WeakPolarHBondContact CA-O 3.25Å; I405-K413 HydrophobicContact CD1-CB 4.45Å; I405-K413 HydrophobicContact CG1-CB 3.91Å; I405-K413 PolarHBondContact N-O 3.39Å; I405-K413 PolarHBondContact O-N 2.67Å; E407-K413 IonicContact OE1-NZ 3.62Å; E407-K413 PolarHBondContact OE1-NZ 2.91Å; E407-K413 WeakPolarHBondContact OE2-CE 3.37Å; E407-K413 IonicContact OE2-NZ 2.83Å; E407-K413 PolarHBondContact OE2-NZ 3.46Å; V411-K413 HydrophobicContact CG1-CG 4.3Å; K413-F415 HydrophobicContact CB-CD2 4.37Å; K413-F415 HydrophobicContact CB-CE2 3.63Å; K413-F415 HydrophobicContact CB-CZ 4.41Å; K413-F415 HydrophobicContact CD-CE2 4.46Å
414	I	93.2	Very high	89.7	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133	176.6	-58.1	-179.7	0	0	0	108.9	Y403 A404 K421 K422 F424 L439 W452 T455	Y403-I414 WeakPolarHBondContact O-CA 3.49Å; A404-I414 HydrophobicContact CB-CG1 4.47Å; I414-K421 PolarHBondContact O-N 2.66Å; I414-K422 PolarHBondContact N-O 3.08Å; I414-K422 PolarHBondContact O-N 2.96Å; I414-F424 HydrophobicContact CD1-CE1 4.06Å; I414-F424 HydrophobicContact CG1-CE1 4.35Å; I414-L439 HydrophobicContact CD1-CD2 4.03Å; I414-L439 HydrophobicContact CG1-CD2 4.36Å; I414-W452 HydrophobicContact CD1-CE3 4.29Å; I414-W452 HydrophobicContact CG2-CE3 4.11Å; I414-W452 HydrophobicContact CG2-CZ3 4.42Å; I414-T455 HydrophobicContact CD1-CG2 3.53Å
415	F	93.1	Very high	89.4	Confident	22 Å²	22	60.3 Å²	60.3	10%	0.096	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.7	179.1	-69	-104.1	0	0	0	109.7	E402 Y403 I405 K413 K419 E420	E402-F415 VanDerWaalsContact CA-O 3.25Å; E402-F415 WeakPolarHBondContact CA-O 3.47Å; Y403-F415 HydrophobicContact CD1-CB 3.97Å; Y403-F415 HydrophobicContact CD2-CB 3.93Å; Y403-F415 HydrophobicContact CD2-CD2 4.14Å; Y403-F415 HydrophobicContact CD2-CG 4.26Å; Y403-F415 HydrophobicContact CE1-CB 3.52Å; Y403-F415 HydrophobicContact CE1-CG 4.31Å; Y403-F415 HydrophobicContact CE2-CB 3.48Å; Y403-F415 VanDerWaalsContact CE2-CB 3.48Å; Y403-F415 HydrophobicContact CE2-CD1 4.25Å; Y403-F415 AromaticContact CE2-CD2 3.58Å; Y403-F415 HydrophobicContact CE2-CD2 3.58Å; Y403-F415 HydrophobicContact CE2-CE2 4.43Å; Y403-F415 AromaticContact CE2-CG 3.5Å; Y403-F415 HydrophobicContact CE2-CG 3.5Å; Y403-F415 VanDerWaalsContact CE2-CG 3.5Å; Y403-F415 HydrophobicContact CG-CB 4.16Å; Y403-F415 AromaticContact CZ-CD1 4Å; Y403-F415 AromaticContact CZ-CG 3.53Å; Y403-F415 PolarHBondContact N-O 3.16Å; Y403-F415 PolarHBondContact O-N 3.13Å; Y403-F415 WeakPolarHBondContact OH-CD1 3.35Å; I405-F415 HydrophobicContact CD1-CD2 4.36Å; I405-F415 HydrophobicContact CD1-CE2 3.44Å; I405-F415 VanDerWaalsContact CD1-CE2 3.44Å; I405-F415 HydrophobicContact CD1-CZ 3.94Å; I405-F415 HydrophobicContact CG1-CD2 4.3Å; I405-F415 HydrophobicContact CG1-CE2 3.68Å; K413-F415 HydrophobicContact CB-CD2 4.37Å; K413-F415 HydrophobicContact CB-CE2 3.63Å; K413-F415 HydrophobicContact CB-CZ 4.41Å; K413-F415 HydrophobicContact CD-CE2 4.46Å; F415-K419 CarbonylContact C-O 3.52Å; F415-K419 WeakPolarHBondContact CA-O 3.34Å; F415-E420 HydrophobicContact CD1-CB 4.11Å; F415-E420 HydrophobicContact CE1-CB 3.73Å; F415-E420 HydrophobicContact CE1-CG 4.36Å; F415-E420 HydrophobicContact CZ-CB 4.11Å; F415-E420 HydrophobicContact CZ-CG 4.25Å
416	K	91.5	Very high	89	Confident	74 Å²	74	60.6 Å²	60.6	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.2	170.1	-173.7	175.3	-157.6	127.9	0	108.8	E402 F418 K419 K421	E402-K416 HydrophobicContact CG-CB 3.92Å; E402-K416 HydrophobicContact CG-CD 4.21Å; E402-K416 HydrophobicContact CG-CG 3.72Å; E402-K416 WeakPolarHBondContact OE1-CD 3.44Å; E402-K416 VanDerWaalsContact OE1-CE 3.27Å; E402-K416 WeakPolarHBondContact OE1-CE 3.44Å; E402-K416 IonicContact OE1-NZ 2.76Å; E402-K416 PolarHBondContact OE1-NZ 2.79Å; K416-F418 PolarHBondContact O-N 3.4Å; K416-K419 PolarHBondContact N-O 3.45Å; K416-K419 PolarHBondContact O-N 3.26Å; K416-K421 HydrophobicContact CB-CB 4.48Å; K416-K421 HydrophobicContact CB-CD 4.23Å
417	N	89.4	Confident	88.5	Confident	104 Å²	104	65.3 Å²	65.3	56%	0.556	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.1	-176	-65.8	-50.6	0	0	0	113	S401 K419	S401-N417 PolarHBondContact O-N 3.46Å; N417-K419 PolarHBondContact O-N 3.2Å
418	F	89	Confident	88.3	Confident	67 Å²	67	66.3 Å²	66.3	29%	0.294	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	15.6	-179.5	-41.7	-71.7	0	0	0	115.3	F366 I377 K386 Y403 K416	F366-F418 HydrophobicContact CD1-CZ 4.28Å; F366-F418 AromaticContact CD2-CZ 3.95Å; F366-F418 HydrophobicContact CD2-CZ 3.95Å; F366-F418 AromaticContact CE1-CZ 3.98Å; F366-F418 HydrophobicContact CE1-CZ 3.98Å; F366-F418 HydrophobicContact CE2-CE2 4.26Å; F366-F418 AromaticContact CE2-CZ 3.63Å; F366-F418 HydrophobicContact CE2-CZ 3.63Å; F366-F418 HydrophobicContact CG-CZ 4.28Å; F366-F418 HydrophobicContact CZ-CE2 4.04Å; F366-F418 AromaticContact CZ-CZ 3.65Å; F366-F418 HydrophobicContact CZ-CZ 3.65Å; I377-F418 HydrophobicContact CD1-CD1 4.1Å; I377-F418 HydrophobicContact CD1-CE1 4.06Å; I377-F418 HydrophobicContact CG2-CE1 4.06Å; K386-F418 HydrophobicContact CB-CE1 4.49Å; Y403-F418 AromaticContact CE1-CD1 3.93Å; Y403-F418 HydrophobicContact CE1-CD1 3.93Å; Y403-F418 HydrophobicContact CE1-CE1 4.47Å; K416-F418 PolarHBondContact O-N 3.4Å
419	K	89.9	Confident	88.3	Confident	163 Å²	163	65.4 Å²	65.4	71%	0.709	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.4	173.1	-66.2	-176.9	179.6	-179	0	109.9	F415 K416 N417 K421	F415-K419 CarbonylContact C-O 3.52Å; F415-K419 WeakPolarHBondContact CA-O 3.34Å; K416-K419 PolarHBondContact N-O 3.45Å; K416-K419 PolarHBondContact O-N 3.26Å; N417-K419 PolarHBondContact O-N 3.2Å; K419-K421 PolarHBondContact O-N 3.44Å
420	E	90.7	Very high	88.4	Confident	105 Å²	105	61.1 Å²	61.1	49%	0.491	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.5	176.5	-169.7	175.2	155.8	0	0	109.5	F415	F415-E420 HydrophobicContact CD1-CB 4.11Å; F415-E420 HydrophobicContact CE1-CB 3.73Å; F415-E420 HydrophobicContact CE1-CG 4.36Å; F415-E420 HydrophobicContact CZ-CB 4.11Å; F415-E420 HydrophobicContact CZ-CG 4.25Å
421	K	88.9	Confident	88.5	Confident	74 Å²	74	61.9 Å²	61.9	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-52.1	179.7	-177	-174.1	-179.6	-174.6	0	109.8	E402 I414 K416 K419 D453	E402-K421 IonicContact OE1-NZ 3.55Å; E402-K421 PolarHBondContact OE1-NZ 3.02Å; E402-K421 IonicContact OE2-NZ 3.15Å; I414-K421 PolarHBondContact O-N 2.66Å; K416-K421 HydrophobicContact CB-CB 4.48Å; K416-K421 HydrophobicContact CB-CD 4.23Å; K419-K421 PolarHBondContact O-N 3.44Å; K421-D453 IonicContact NZ-OD1 3.8Å; K421-D453 PolarHBondContact NZ-OD1 3.19Å
422	K	87.7	Confident	88.5	Confident	78 Å²	78	62 Å²	62	34%	0.339	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.3	-177.9	-75.9	-179.5	178	173	0	110.4	I414 D453 N454 T455	I414-K422 PolarHBondContact N-O 3.08Å; I414-K422 PolarHBondContact O-N 2.96Å; K422-D453 PolarHBondContact NZ-O 2.89Å; K422-N454 PolarHBondContact NZ-O 3.18Å; K422-T455 HydrophobicContact CD-CG2 4.07Å
423	S	89	Confident	88.5	Confident	60 Å²	60	62.6 Å²	62.6	42%	0.42	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.8	168	177.1	0	0	0	0	107.5	V411	V411-S423 WeakPolarHBondContact CG1-OG 3.42Å
424	F	89.9	Confident	88.6	Confident	30 Å²	30	62.4 Å²	62.4	13%	0.132	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.9	179.4	75.7	-78.9	0	0	0	111.5	V412 I414 P426 L439 Y450 T455	V412-F424 HydrophobicContact CB-CE1 4.04Å; V412-F424 HydrophobicContact CB-CZ 4.25Å; V412-F424 HydrophobicContact CG1-CE1 4.08Å; V412-F424 HydrophobicContact CG1-CZ 4.41Å; V412-F424 PolarHBondContact N-O 2.83Å; V412-F424 VanDerWaalsContact N-O 3.09Å; V412-F424 PolarHBondContact O-N 3.3Å; I414-F424 HydrophobicContact CD1-CE1 4.06Å; I414-F424 HydrophobicContact CG1-CE1 4.35Å; F424-P426 HydrophobicContact CD2-CG 4.33Å; F424-P426 HydrophobicContact CE2-CG 3.86Å; F424-L439 HydrophobicContact CE1-CD2 4.07Å; F424-L439 HydrophobicContact CZ-CD2 4Å; F424-Y450 HydrophobicContact CE2-CD1 4.02Å; F424-Y450 HydrophobicContact CE2-CD2 4.32Å; F424-Y450 HydrophobicContact CE2-CE1 4.03Å; F424-Y450 HydrophobicContact CE2-CE2 4.31Å; F424-Y450 HydrophobicContact CE2-CG 4.17Å; F424-Y450 HydrophobicContact CZ-CD1 4.43Å; F424-Y450 HydrophobicContact CZ-CD2 4.35Å; F424-Y450 HydrophobicContact CZ-CG 4.19Å; F424-T455 HydrophobicContact CD1-CG2 3.74Å; F424-T455 HydrophobicContact CE1-CG2 3.88Å; F424-T455 HydrophobicContact CG-CG2 4.39Å
425	K	87.6	Confident	88.5	Confident	155 Å²	155	63.4 Å²	63.4	67%	0.674	31%	0.312	S	S	*	.			trans	-117	109.3	179.8	-64.3	-173.9	178.8	177.3	0	108.5	S410 V411	S410-K425 WeakPolarHBondContact O-CA 3.42Å; S410-K425 WeakPolarHBondContact O-CB 3.39Å; S410-K425 WeakPolarHBondContact O-CG 3.29Å; V411-K425 HydrophobicContact CG2-CG 4.25Å
426	P	85.4	Confident	88.3	Confident	11 Å²	11	63 Å²	63	7%	0.071	32%	0.315	C	S	.	.			trans	-60.5	143.7	173.6	-22.3	33.5	0	0	0	111.2	V412 F424 F428 G429 A430 V441 Y450	V412-P426 HydrophobicContact CG2-CG 4.06Å; F424-P426 HydrophobicContact CD2-CG 4.33Å; F424-P426 HydrophobicContact CE2-CG 3.86Å; P426-F428 VanDerWaalsContact C-N 3.29Å; P426-F428 PolarHBondContact O-N 3.06Å; P426-G429 PolarHBondContact O-N 3.26Å; P426-G429 VanDerWaalsContact O-N 3.11Å; P426-A430 HydrophobicContact CG-CB 4.36Å; P426-V441 HydrophobicContact CB-CG1 4.36Å; P426-V441 HydrophobicContact CG-CG1 4.09Å; P426-Y450 HydrophobicContact CB-CE2 4.48Å
427	D	80.1	Confident	88.3	Confident	112 Å²	112	62.2 Å²	62.2	60%	0.599	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-38	-172	-54.5	-44.5	0	0	0	113.4	R460	D427-R460 IonicContact OD2-NH2 2.78Å; D427-R460 PolarHBondContact OD2-NH2 3.39Å
428	F	81.8	Confident	88.5	Confident	97 Å²	97	57.6 Å²	57.6	43%	0.425	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	15.5	-178.6	-61.1	-69.8	0	0	0	113.5	P426 N445	P426-F428 VanDerWaalsContact C-N 3.29Å; P426-F428 PolarHBondContact O-N 3.06Å; F428-N445 VanDerWaalsContact CD1-ND2 3.27Å; F428-N445 WeakPolarHBondContact CD1-ND2 3.47Å; F428-N445 WeakPolarHBondContact CE1-ND2 3.16Å; F428-N445 HydrophobicContact CG-CB 4.47Å
429	G	84.6	Confident	88.7	Confident	19 Å²	19	54.4 Å²	54.4	20%	0.196	27%	0.272	C	S	.	.			trans	72.5	179.3	-172.8	0	0	0	0	0	113.5	P426 S443	P426-G429 PolarHBondContact O-N 3.26Å; P426-G429 VanDerWaalsContact O-N 3.11Å; G429-S443 WeakPolarHBondContact O-CB 3.32Å
430	A	85.3	Confident	88.8	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.017	24%	0.239	C	C	.	.			trans	-130.5	111.3	-178	0	0	0	0	0	109.9	R406 N409 V412 P426 V441	R406-A430 WeakPolarHBondContact CD-O 3.43Å; R406-A430 HydrophobicContact CG-CB 4.46Å; N409-A430 CarbonylContact C-O 3.59Å; N409-A430 VanDerWaalsContact CA-O 3.3Å; N409-A430 WeakPolarHBondContact CA-O 3.48Å; N409-A430 PolarHBondContact O-N 3.39Å; V412-A430 HydrophobicContact CG2-CB 3.89Å; P426-A430 HydrophobicContact CG-CB 4.36Å; A430-V441 HydrophobicContact CB-CG1 3.6Å
431	E	86.9	Confident	89	Confident	74 Å²	74	41.7 Å²	41.7	35%	0.346	22%	0.216	S	C	.	.	S	Bend	trans	-82.8	-46.7	168.1	-66	-165.9	157.8	0	0	111	R406 R442	R406-E431 PolarHBondContact NE-O 3.01Å; R406-E431 PolarHBondContact NH2-O 3.38Å; R406-E431 VanDerWaalsContact NH2-O 3.11Å; E431-R442 PolarHBondContact N-O 3.19Å; E431-R442 IonicContact OE2-CZ 2.86Å; E431-R442 IonicContact OE2-NE 3.96Å; E431-R442 PolarHBondContact OE2-NE 2.85Å; E431-R442 VanDerWaalsContact OE2-NE 3.14Å; E431-R442 IonicContact OE2-NH2 3.58Å; E431-R442 PolarHBondContact OE2-NH2 3.29Å
432	S	88.9	Confident	89.1	Confident	22 Å²	22	40.9 Å²	40.9	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.1	178.4	-65.4	0	0	0	0	113.5	E393 R442	E393-S432 PolarHBondContact OE1-OG 2.98Å; E393-S432 VanDerWaalsContact OE1-OG 3.04Å; E393-S432 WeakPolarHBondContact OE2-CA 3.36Å; E393-S432 WeakPolarHBondContact OE2-CB 3.39Å; S432-R442 PolarHBondContact N-O 2.93Å; S432-R442 PolarHBondContact O-N 3.32Å
433	I	93.4	Very high	89.2	Confident	11 Å²	11	37.5 Å²	37.5	6%	0.056	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.7	176	60.5	169.4	0	0	0	112.2	E393 A395 A404 R406 V412 G440 V441	E393-I433 HydrophobicContact CB-CD1 4.31Å; E393-I433 HydrophobicContact CB-CG1 3.89Å; E393-I433 PolarHBondContact OE2-N 3.46Å; A395-I433 HydrophobicContact CB-CD1 3.95Å; A395-I433 HydrophobicContact CB-CG1 4.12Å; A404-I433 HydrophobicContact CB-CD1 4.29Å; R406-I433 HydrophobicContact CB-CD1 4.07Å; R406-I433 HydrophobicContact CB-CG1 4.32Å; R406-I433 HydrophobicContact CB-CG2 4.26Å; V412-I433 HydrophobicContact CG1-CG2 4.48Å; V412-I433 HydrophobicContact CG2-CG2 4.19Å; I433-G440 CarbonylContact C-O 3.27Å; I433-G440 WeakPolarHBondContact CA-O 3.09Å; I433-V441 HydrophobicContact CG2-CG2 4.4Å
434	Y	93.7	Very high	89	Confident	30 Å²	30	39.1 Å²	39.1	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.8	179.6	-57.3	-78.7	0	0	0	110.8	G440 R442 L447 P465 K466 I468	Y434-G440 PolarHBondContact N-O 3.41Å; Y434-G440 PolarHBondContact O-N 3.22Å; Y434-R442 HydrophobicContact CE2-CB 3.97Å; Y434-L447 HydrophobicContact CD2-CD1 4.45Å; Y434-P465 HydrophobicContact CE2-CB 4.35Å; Y434-P465 HydrophobicContact CE2-CG 3.81Å; Y434-P465 PolarHBondContact OH-O 2.75Å; Y434-K466 WeakPolarHBondContact CE1-O 3.22Å; Y434-K466 PolarHBondContact OH-O 2.99Å; Y434-K466 VanDerWaalsContact OH-O 3.06Å; Y434-I468 HydrophobicContact CD1-CB 4.32Å; Y434-I468 HydrophobicContact CD1-CG1 4.19Å; Y434-I468 HydrophobicContact CD2-CD1 3.44Å; Y434-I468 VanDerWaalsContact CD2-CD1 3.44Å; Y434-I468 HydrophobicContact CD2-CG1 3.94Å; Y434-I468 HydrophobicContact CE2-CD1 4.05Å; Y434-I468 HydrophobicContact CE2-CG1 4.32Å; Y434-I468 HydrophobicContact CG-CB 4.13Å; Y434-I468 HydrophobicContact CG-CD1 3.69Å; Y434-I468 HydrophobicContact CG-CG1 3.86Å
435	G	90.6	Very high	88.6	Confident	22 Å²	22	42.6 Å²	42.6	23%	0.227	22%	0.224	C	C	.	.			trans	-84.8	177.9	178.1	0	0	0	0	0	113.2	W396	W396-G435 WeakPolarHBondContact O-CA 3.37Å
436	G	90.5	Very high	88.6	Confident	14 Å²	14	35.4 Å²	35.4	14%	0.144	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	130.4	-152.5	178	0	0	0	0	0	113.1	W396 H398 L438 W452	W396-G436 PolarHBondContact O-N 3.28Å; H398-G436 PolarHBondContact N-O 3.38Å; G436-L438 VanDerWaalsContact C-N 3.33Å; G436-W452 PolarHBondContact O-NE1 3.09Å; G436-W452 VanDerWaalsContact O-NE1 3.12Å
437	F	90.9	Very high	88.9	Confident	57 Å²	57	34.9 Å²	34.9	25%	0.25	19%	0.191	C	C	.	.	S	Bend	trans	-68.2	-34.2	179.1	-79.5	-96	0	0	0	112.5	H398 W452 W470 S471 D472 G474	H398-F437 HydrophobicContact CB-CD1 4.49Å; H398-F437 HydrophobicContact CB-CD2 4.23Å; H398-F437 HydrophobicContact CB-CE2 4.24Å; H398-F437 HydrophobicContact CB-CG 4.35Å; H398-F437 HydrophobicContact CB-CZ 4.4Å; H398-F437 AromaticContact CD2-CE1 3.77Å; H398-F437 AromaticContact CD2-CZ 3.6Å; H398-F437 AromaticContact CE1-CE2 3.79Å; H398-F437 AromaticContact CE1-CZ 3.5Å; H398-F437 VanDerWaalsContact CE1-CZ 3.5Å; H398-F437 WeakPolarHBondContact CE1-CZ 3.39Å; H398-F437 AromaticContact CG-CE1 3.99Å; H398-F437 AromaticContact CG-CE2 3.71Å; H398-F437 AromaticContact CG-CZ 3.6Å; H398-F437 AromaticContact ND1-CE2 3.45Å; H398-F437 WeakPolarHBondContact ND1-CE2 3.39Å; H398-F437 AromaticContact ND1-CZ 3.55Å; H398-F437 AromaticContact NE2-CZ 3.56Å; F437-W452 PolarHBondContact O-NE1 2.78Å; F437-W470 HydrophobicContact CB-CD2 4.19Å; F437-W470 HydrophobicContact CB-CE3 3.94Å; F437-W470 HydrophobicContact CB-CZ3 4.11Å; F437-W470 HydrophobicContact CD2-CB 4.12Å; F437-W470 HydrophobicContact CD2-CD2 4.37Å; F437-W470 HydrophobicContact CD2-CE3 4.11Å; F437-W470 HydrophobicContact CD2-CG 4.41Å; F437-W470 HydrophobicContact CG-CE3 4.37Å; F437-S471 WeakPolarHBondContact CE2-O 3.4Å; F437-D472 WeakPolarHBondContact CZ-O 3.31Å; F437-G474 VanDerWaalsContact CE2-N 3.34Å
438	L	92.7	Very high	89.4	Confident	6 Å²	6	29.8 Å²	29.8	3%	0.031	17%	0.165	C	C	.	.	S	Bend	trans	-120.8	154	172	-58.1	180	0	0	0	109.8	G436 G440 F449 W452 I458 W470 Y490 F514	G436-L438 VanDerWaalsContact C-N 3.33Å; L438-G440 PolarHBondContact O-N 3.31Å; L438-F449 HydrophobicContact CB-CB 4.35Å; L438-F449 HydrophobicContact CB-CD1 3.95Å; L438-F449 HydrophobicContact CD1-CB 4.04Å; L438-F449 HydrophobicContact CD1-CD1 4.49Å; L438-F449 HydrophobicContact CD1-CG 4.35Å; L438-W452 VanDerWaalsContact C-NE1 3.29Å; L438-I458 HydrophobicContact CD1-CD1 3.59Å; L438-I458 HydrophobicContact CD1-CG2 4.41Å; L438-I458 HydrophobicContact CD2-CD1 3.26Å; L438-I458 HydrophobicContact CG-CD1 3.99Å; L438-W470 HydrophobicContact CB-CH2 4.33Å; L438-W470 HydrophobicContact CB-CZ2 3.92Å; L438-W470 HydrophobicContact CD1-CH2 3.97Å; L438-W470 HydrophobicContact CD1-CZ2 4.28Å; L438-W470 HydrophobicContact CG-CH2 4.02Å; L438-W470 HydrophobicContact CG-CZ2 4.14Å; L438-Y490 HydrophobicContact CD1-CD2 4.22Å; L438-Y490 HydrophobicContact CD1-CE1 4.42Å; L438-Y490 HydrophobicContact CD1-CE2 3.72Å; L438-F514 HydrophobicContact CD1-CE2 4.47Å; L438-F514 HydrophobicContact CD1-CZ 4.01Å
439	L	93.4	Very high	90	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.4	174.9	175.7	60.8	0	0	0	109.1	A404 V412 I414 F424 V441 F449 Y450 W452	A404-L439 HydrophobicContact CB-CD1 3.66Å; A404-L439 HydrophobicContact CB-CD2 4.19Å; V412-L439 HydrophobicContact CG1-CD2 4.15Å; I414-L439 HydrophobicContact CD1-CD2 4.03Å; I414-L439 HydrophobicContact CG1-CD2 4.36Å; F424-L439 HydrophobicContact CE1-CD2 4.07Å; F424-L439 HydrophobicContact CZ-CD2 4Å; L439-V441 HydrophobicContact CG-CG2 4.17Å; L439-F449 WeakPolarHBondContact O-CA 3.1Å; L439-Y450 PolarHBondContact N-O 2.76Å; L439-Y450 PolarHBondContact O-N 3.38Å; L439-W452 HydrophobicContact CB-CD2 4.12Å; L439-W452 HydrophobicContact CB-CE3 4.47Å; L439-W452 HydrophobicContact CB-CH2 4.33Å; L439-W452 HydrophobicContact CB-CZ2 3.95Å; L439-W452 HydrophobicContact CD1-CH2 3.75Å; L439-W452 HydrophobicContact CD1-CZ2 3.98Å; L439-W452 HydrophobicContact CD1-CZ3 4.29Å
440	G	93.8	Very high	90.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.8	174.3	0	0	0	0	0	110.7	I433 Y434 L438 A448	I433-G440 CarbonylContact C-O 3.27Å; I433-G440 WeakPolarHBondContact CA-O 3.09Å; Y434-G440 PolarHBondContact N-O 3.41Å; Y434-G440 PolarHBondContact O-N 3.22Å; L438-G440 PolarHBondContact O-N 3.31Å; G440-A448 CarbonylContact C-O 3.59Å
441	V	92.9	Very high	90.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.8	174.5	-177.6	0	0	0	0	108.7	P426 A430 I433 L439 A448 Y450	P426-V441 HydrophobicContact CB-CG1 4.36Å; P426-V441 HydrophobicContact CG-CG1 4.09Å; A430-V441 HydrophobicContact CB-CG1 3.6Å; I433-V441 HydrophobicContact CG2-CG2 4.4Å; L439-V441 HydrophobicContact CG-CG2 4.17Å; V441-A448 PolarHBondContact N-O 2.9Å; V441-A448 PolarHBondContact O-N 3.2Å; V441-Y450 HydrophobicContact CB-CD2 4.2Å; V441-Y450 HydrophobicContact CB-CE2 3.98Å; V441-Y450 HydrophobicContact CG2-CD2 3.71Å; V441-Y450 HydrophobicContact CG2-CE2 3.89Å
442	R	92.1	Very high	90.6	Very high	56 Å²	56	23.5 Å²	23.5	21%	0.211	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.7	172.3	174.5	-177	134.6	155.5	4.2	109.7	E431 S432 Y434 P465	E431-R442 PolarHBondContact N-O 3.19Å; E431-R442 IonicContact OE2-CZ 2.86Å; E431-R442 IonicContact OE2-NE 3.96Å; E431-R442 PolarHBondContact OE2-NE 2.85Å; E431-R442 VanDerWaalsContact OE2-NE 3.14Å; E431-R442 IonicContact OE2-NH2 3.58Å; E431-R442 PolarHBondContact OE2-NH2 3.29Å; S432-R442 PolarHBondContact N-O 2.93Å; S432-R442 PolarHBondContact O-N 3.32Å; Y434-R442 HydrophobicContact CE2-CB 3.97Å; R442-P465 HydrophobicContact CB-CG 4.31Å; R442-P465 VanDerWaalsContact CD-O 3.31Å; R442-P465 WeakPolarHBondContact CD-O 3.23Å; R442-P465 HydrophobicContact CG-CG 4.43Å; R442-P465 PolarHBondContact NH1-O 2.88Å
443	S	89.7	Confident	90.5	Very high	8 Å²	8	26.2 Å²	26.2	6%	0.056	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	175.8	173.7	70.9	0	0	0	0	110.1	G429 N445 G446	G429-S443 WeakPolarHBondContact O-CB 3.32Å; S443-N445 PolarHBondContact O-N 3.14Å; S443-N445 PolarHBondContact OG-N 3.27Å; S443-G446 PolarHBondContact N-O 3.17Å; S443-G446 PolarHBondContact O-N 3.37Å; S443-G446 PolarHBondContact OG-O 3.17Å
444	V	84.8	Confident	90	Very high	94 Å²	94	29.7 Å²	29.7	57%	0.57	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.6	175.8	-177.3	0	0	0	0	111.7	Q464	V444-Q464 PolarHBondContact O-NE2 3.01Å
445	N	81	Confident	89.6	Confident	102 Å²	102	29.7 Å²	29.7	55%	0.545	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.8	-174.2	-68.1	-3	0	0	0	113.6	F428 S443	F428-N445 VanDerWaalsContact CD1-ND2 3.27Å; F428-N445 WeakPolarHBondContact CD1-ND2 3.47Å; F428-N445 WeakPolarHBondContact CE1-ND2 3.16Å; F428-N445 HydrophobicContact CG-CB 4.47Å; S443-N445 PolarHBondContact O-N 3.14Å; S443-N445 PolarHBondContact OG-N 3.27Å
446	G	87.1	Confident	89.4	Confident	5 Å²	5	33.4 Å²	33.4	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.9	-164.5	179.7	0	0	0	0	0	113.8	S443	S443-G446 PolarHBondContact N-O 3.17Å; S443-G446 PolarHBondContact O-N 3.37Å; S443-G446 PolarHBondContact OG-O 3.17Å
447	L	91.9	Very high	89.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.9	-177.7	172.9	64.2	0	0	0	111	Y434 F449 R460 I461 I463 P465 I468 I479	Y434-L447 HydrophobicContact CD2-CD1 4.45Å; L447-F449 HydrophobicContact CD2-CE1 4.42Å; L447-F449 HydrophobicContact CD2-CE2 3.76Å; L447-F449 HydrophobicContact CD2-CZ 3.68Å; L447-F449 HydrophobicContact CG-CE2 4.3Å; L447-F449 HydrophobicContact CG-CZ 4.37Å; L447-R460 CarbonylContact O-C 3.53Å; L447-R460 WeakPolarHBondContact O-CA 3.43Å; L447-I461 PolarHBondContact N-O 3.46Å; L447-I461 PolarHBondContact O-N 3.49Å; L447-I463 PolarHBondContact N-O 2.83Å; L447-P465 HydrophobicContact CB-CG 4.12Å; L447-P465 HydrophobicContact CD1-CG 4.07Å; L447-P465 HydrophobicContact CD2-CG 4.11Å; L447-P465 HydrophobicContact CG-CG 4.31Å; L447-I468 HydrophobicContact CD1-CD1 3.6Å; L447-I468 HydrophobicContact CD2-CD1 3.51Å; L447-I468 HydrophobicContact CD2-CG1 4.48Å; L447-I468 HydrophobicContact CG-CD1 4.18Å; L447-I479 HydrophobicContact CD2-CD1 3.71Å
448	A	92	Very high	89.3	Confident	5 Å²	5	32 Å²	32	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.1	172.7	0	0	0	0	0	110.6	G440 V441 Y450 L457 R460	G440-A448 CarbonylContact C-O 3.59Å; V441-A448 PolarHBondContact N-O 2.9Å; V441-A448 PolarHBondContact O-N 3.2Å; A448-Y450 HydrophobicContact CB-CD2 4.28Å; A448-Y450 HydrophobicContact CB-CE2 3.57Å; A448-L457 HydrophobicContact CB-CD1 3.79Å; A448-R460 HydrophobicContact CB-CG 3.82Å
449	F	93.5	Very high	89.2	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.2	170.1	-73.4	-67.5	0	0	0	110.6	L438 L439 L447 I458 R459 I461 I468 W470 I479 F514	L438-F449 HydrophobicContact CB-CB 4.35Å; L438-F449 HydrophobicContact CB-CD1 3.95Å; L438-F449 HydrophobicContact CD1-CB 4.04Å; L438-F449 HydrophobicContact CD1-CD1 4.49Å; L438-F449 HydrophobicContact CD1-CG 4.35Å; L439-F449 WeakPolarHBondContact O-CA 3.1Å; L447-F449 HydrophobicContact CD2-CE1 4.42Å; L447-F449 HydrophobicContact CD2-CE2 3.76Å; L447-F449 HydrophobicContact CD2-CZ 3.68Å; L447-F449 HydrophobicContact CG-CE2 4.3Å; L447-F449 HydrophobicContact CG-CZ 4.37Å; F449-I458 PolarHBondContact O-N 3.15Å; F449-R459 PolarHBondContact N-O 2.84Å; F449-I461 HydrophobicContact CD2-CD1 4.14Å; F449-I461 HydrophobicContact CE2-CD1 3.73Å; F449-I468 HydrophobicContact CE1-CD1 4.21Å; F449-I468 HydrophobicContact CZ-CD1 4.21Å; F449-I468 HydrophobicContact CZ-CG2 4.49Å; F449-W470 HydrophobicContact CD1-CZ2 4.14Å; F449-W470 AromaticContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CZ-CZ2 4.18Å; F449-I479 HydrophobicContact CE2-CD1 4.4Å; F449-I479 HydrophobicContact CZ-CD1 4.43Å; F449-F514 HydrophobicContact CB-CE2 4.49Å; F449-F514 AromaticContact CD2-CE2 3.6Å; F449-F514 HydrophobicContact CD2-CE2 3.6Å; F449-F514 AromaticContact CD2-CZ 3.55Å; F449-F514 HydrophobicContact CD2-CZ 3.55Å; F449-F514 HydrophobicContact CE2-CE1 4.27Å; F449-F514 HydrophobicContact CE2-CE2 4.1Å; F449-F514 AromaticContact CE2-CZ 3.71Å; F449-F514 HydrophobicContact CE2-CZ 3.71Å; F449-F514 HydrophobicContact CG-CE2 4.25Å; F449-F514 HydrophobicContact CG-CZ 4.08Å; F449-F514 HydrophobicContact CZ-CZ 4.38Å
450	Y	91.3	Very high	89	Confident	13 Å²	13	36.1 Å²	36.1	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.8	176.5	-66.6	-87.5	0	0	0	111	F424 P426 L439 V441 A448 E456 L457	F424-Y450 HydrophobicContact CE2-CD1 4.02Å; F424-Y450 HydrophobicContact CE2-CD2 4.32Å; F424-Y450 HydrophobicContact CE2-CE1 4.03Å; F424-Y450 HydrophobicContact CE2-CE2 4.31Å; F424-Y450 HydrophobicContact CE2-CG 4.17Å; F424-Y450 HydrophobicContact CZ-CD1 4.43Å; F424-Y450 HydrophobicContact CZ-CD2 4.35Å; F424-Y450 HydrophobicContact CZ-CG 4.19Å; P426-Y450 HydrophobicContact CB-CE2 4.48Å; L439-Y450 PolarHBondContact N-O 2.76Å; L439-Y450 PolarHBondContact O-N 3.38Å; V441-Y450 HydrophobicContact CB-CD2 4.2Å; V441-Y450 HydrophobicContact CB-CE2 3.98Å; V441-Y450 HydrophobicContact CG2-CD2 3.71Å; V441-Y450 HydrophobicContact CG2-CE2 3.89Å; A448-Y450 HydrophobicContact CB-CD2 4.28Å; A448-Y450 HydrophobicContact CB-CE2 3.57Å; Y450-E456 VanDerWaalsContact CA-O 3.31Å; Y450-E456 WeakPolarHBondContact CA-O 3.24Å; Y450-L457 HydrophobicContact CD1-CB 4.33Å; Y450-L457 HydrophobicContact CD1-CD1 4.5Å; Y450-L457 HydrophobicContact CE1-CB 4.01Å; Y450-L457 HydrophobicContact CE1-CD1 4.07Å; Y450-L457 HydrophobicContact CE2-CD1 4.48Å
451	D	90.3	Very high	88.9	Confident	33 Å²	33	37.3 Å²	37.3	18%	0.176	19%	0.19	C	C	.	.			trans	-73.1	140.1	169	-180	37.6	0	0	0	111.7	D453 N454 T455 E456 I458	D451-D453 PolarHBondContact OD2-N 2.89Å; D451-N454 PolarHBondContact OD2-N 2.76Å; D451-T455 WeakPolarHBondContact O-CA 3.48Å; D451-T455 PolarHBondContact O-N 3.5Å; D451-E456 PolarHBondContact N-O 3.01Å; D451-I458 HydrophobicContact CB-CD1 4.02Å; D451-I458 HydrophobicContact CB-CG1 4.44Å
452	W	89.2	Confident	88.7	Confident	13 Å²	13	45.4 Å²	45.4	5%	0.049	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-30.9	-179.2	-74.8	101.8	0	0	0	113.1	A397 A404 I414 G436 F437 L438 L439	A397-W452 HydrophobicContact CB-CD2 3.76Å; A397-W452 HydrophobicContact CB-CE3 3.97Å; A397-W452 HydrophobicContact CB-CG 4.37Å; A397-W452 HydrophobicContact CB-CH2 3.92Å; A397-W452 HydrophobicContact CB-CZ2 3.7Å; A397-W452 HydrophobicContact CB-CZ3 4.04Å; A404-W452 HydrophobicContact CB-CH2 3.69Å; A404-W452 HydrophobicContact CB-CZ3 3.55Å; I414-W452 HydrophobicContact CD1-CE3 4.29Å; I414-W452 HydrophobicContact CG2-CE3 4.11Å; I414-W452 HydrophobicContact CG2-CZ3 4.42Å; G436-W452 PolarHBondContact O-NE1 3.09Å; G436-W452 VanDerWaalsContact O-NE1 3.12Å; F437-W452 PolarHBondContact O-NE1 2.78Å; L438-W452 VanDerWaalsContact C-NE1 3.29Å; L439-W452 HydrophobicContact CB-CD2 4.12Å; L439-W452 HydrophobicContact CB-CE3 4.47Å; L439-W452 HydrophobicContact CB-CH2 4.33Å; L439-W452 HydrophobicContact CB-CZ2 3.95Å; L439-W452 HydrophobicContact CD1-CH2 3.75Å; L439-W452 HydrophobicContact CD1-CZ2 3.98Å; L439-W452 HydrophobicContact CD1-CZ3 4.29Å
453	D	85.8	Confident	88.5	Confident	79 Å²	79	44.4 Å²	44.4	42%	0.422	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-53.6	-178	-82.1	-42.2	0	0	0	112	K421 K422 D451	K421-D453 IonicContact NZ-OD1 3.8Å; K421-D453 PolarHBondContact NZ-OD1 3.19Å; K422-D453 PolarHBondContact NZ-O 2.89Å; D451-D453 PolarHBondContact OD2-N 2.89Å
454	N	83.6	Confident	88.5	Confident	85 Å²	85	49.6 Å²	49.6	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-14.7	-171.6	-66	-21.1	0	0	0	113.9	K422 D451 E456	K422-N454 PolarHBondContact NZ-O 3.18Å; D451-N454 PolarHBondContact OD2-N 2.76Å; N454-E456 HydrophobicContact CB-CG 4.08Å; N454-E456 PolarHBondContact O-N 3Å
455	T	84.7	Confident	88.9	Confident	29 Å²	29	45.1 Å²	45.1	18%	0.178	22%	0.222	C	C	.	.			trans	58.8	23.2	-174.3	56.9	0	0	0	0	113.6	I414 K422 F424 D451	I414-T455 HydrophobicContact CD1-CG2 3.53Å; K422-T455 HydrophobicContact CD-CG2 4.07Å; F424-T455 HydrophobicContact CD1-CG2 3.74Å; F424-T455 HydrophobicContact CE1-CG2 3.88Å; F424-T455 HydrophobicContact CG-CG2 4.39Å; D451-T455 WeakPolarHBondContact O-CA 3.48Å; D451-T455 PolarHBondContact O-N 3.5Å
456	E	86.7	Confident	89.3	Confident	100 Å²	100	44.3 Å²	44.3	47%	0.467	21%	0.214	S	C	.	.			trans	-80.4	146.6	175	-70	-178.1	174.4	0	0	110.6	Y450 D451 N454 I458	Y450-E456 VanDerWaalsContact CA-O 3.31Å; Y450-E456 WeakPolarHBondContact CA-O 3.24Å; D451-E456 PolarHBondContact N-O 3.01Å; N454-E456 HydrophobicContact CB-CG 4.08Å; N454-E456 PolarHBondContact O-N 3Å; E456-I458 PolarHBondContact O-N 2.97Å
457	L	88.4	Confident	89.5	Confident	40 Å²	40	46 Å²	46	21%	0.209	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	118.5	175.5	177.9	68.9	0	0	0	109.3	A448 Y450 R460	A448-L457 HydrophobicContact CB-CD1 3.79Å; Y450-L457 HydrophobicContact CD1-CB 4.33Å; Y450-L457 HydrophobicContact CD1-CD1 4.5Å; Y450-L457 HydrophobicContact CE1-CB 4.01Å; Y450-L457 HydrophobicContact CE1-CD1 4.07Å; Y450-L457 HydrophobicContact CE2-CD1 4.48Å; L457-R460 HydrophobicContact CD1-CG 4.09Å; L457-R460 HydrophobicContact CD2-CG 4.29Å
458	I	89.6	Confident	89.6	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-53.4	175.3	-65.6	166.7	0	0	0	109.6	L438 F449 D451 E456 Y490 V495 G509 I510 A513	L438-I458 HydrophobicContact CD1-CD1 3.59Å; L438-I458 HydrophobicContact CD1-CG2 4.41Å; L438-I458 HydrophobicContact CD2-CD1 3.26Å; L438-I458 HydrophobicContact CG-CD1 3.99Å; F449-I458 PolarHBondContact O-N 3.15Å; D451-I458 HydrophobicContact CB-CD1 4.02Å; D451-I458 HydrophobicContact CB-CG1 4.44Å; E456-I458 PolarHBondContact O-N 2.97Å; I458-Y490 HydrophobicContact CG2-CE2 4.37Å; I458-V495 HydrophobicContact CG1-CG1 4.46Å; I458-V495 HydrophobicContact CG2-CG1 4.21Å; I458-V495 HydrophobicContact CG2-CG2 3.99Å; I458-G509 CarbonylContact O-C 3.55Å; I458-G509 WeakPolarHBondContact O-CA 3.25Å; I458-I510 PolarHBondContact O-N 2.84Å; I458-A513 HydrophobicContact CG2-CB 3.95Å
459	R	90.6	Very high	89.7	Confident	47 Å²	47	48.3 Å²	48.3	18%	0.177	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	138.5	-178.6	-173.7	51.9	170.3	160.9	-0.1	111.6	F449 I461 D508 I510 A513 F514	F449-R459 PolarHBondContact N-O 2.84Å; R459-I461 HydrophobicContact CG-CG1 4.13Å; R459-D508 WeakPolarHBondContact CA-O 3.37Å; R459-D508 VanDerWaalsContact CD-O 3.3Å; R459-D508 WeakPolarHBondContact CD-O 3.43Å; R459-D508 PolarHBondContact NH1-O 2.86Å; R459-I510 WeakPolarHBondContact CD-O 3.34Å; R459-A513 HydrophobicContact CB-CB 4.5Å; R459-F514 HydrophobicContact CB-CD2 3.86Å; R459-F514 HydrophobicContact CB-CE2 3.94Å; R459-F514 HydrophobicContact CG-CD2 3.94Å; R459-F514 HydrophobicContact CG-CE2 4.47Å
460	R	90.1	Very high	89.7	Confident	45 Å²	45	49.7 Å²	49.7	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140.4	161.1	-87.9	-177.3	-134.8	129.2	0.3	111	D427 L447 A448 L457 E507 D508	D427-R460 IonicContact OD2-NH2 2.78Å; D427-R460 PolarHBondContact OD2-NH2 3.39Å; L447-R460 CarbonylContact O-C 3.53Å; L447-R460 WeakPolarHBondContact O-CA 3.43Å; A448-R460 HydrophobicContact CB-CG 3.82Å; L457-R460 HydrophobicContact CD1-CG 4.09Å; L457-R460 HydrophobicContact CD2-CG 4.29Å; R460-E507 PolarHBondContact NH1-O 2.99Å; R460-D508 HydrophobicContact CB-CB 4.16Å; R460-D508 PolarHBondContact N-O 2.92Å; R460-D508 IonicContact NH1-OD1 2.91Å; R460-D508 PolarHBondContact NH1-OD1 2.96Å
461	I	90.9	Very high	89.7	Confident	26 Å²	26	49.1 Å²	49.1	13%	0.133	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.9	178	-53.4	-177.2	0	0	0	107.1	L447 F449 R459 I463 I479 L488	L447-I461 PolarHBondContact N-O 3.46Å; L447-I461 PolarHBondContact O-N 3.49Å; F449-I461 HydrophobicContact CD2-CD1 4.14Å; F449-I461 HydrophobicContact CE2-CD1 3.73Å; R459-I461 HydrophobicContact CG-CG1 4.13Å; I461-I463 HydrophobicContact CG2-CB 4.07Å; I461-I463 HydrophobicContact CG2-CD1 3.71Å; I461-I463 HydrophobicContact CG2-CG1 3.82Å; I461-I463 PolarHBondContact O-N 3.21Å; I461-I479 HydrophobicContact CD1-CD1 4.08Å; I461-L488 HydrophobicContact CD1-CD1 3.81Å
462	E	88.7	Confident	89.5	Confident	171 Å²	171	53.3 Å²	53.3	80%	0.799	26%	0.256	S	S	*	.	S	Bend	trans	-77	48.6	-179	-60.7	-173.1	162.3	0	0	112.4
463	I	88.9	Confident	89.3	Confident	34 Å²	34	55.8 Å²	55.8	17%	0.174	28%	0.275	C	S	.	.			trans	-121.8	143.8	177.1	-64.9	172.9	0	0	0	108	L447 I461 P465 I479 T481 F486	L447-I463 PolarHBondContact N-O 2.83Å; I461-I463 HydrophobicContact CG2-CB 4.07Å; I461-I463 HydrophobicContact CG2-CD1 3.71Å; I461-I463 HydrophobicContact CG2-CG1 3.82Å; I461-I463 PolarHBondContact O-N 3.21Å; I463-P465 WeakPolarHBondContact O-CD 3.32Å; I463-I479 HydrophobicContact CG2-CG2 4.11Å; I463-T481 HydrophobicContact CG2-CG2 3.36Å; I463-F486 HydrophobicContact CD1-CD1 4.31Å; I463-F486 HydrophobicContact CD1-CD2 3.9Å; I463-F486 HydrophobicContact CD1-CE1 4.39Å; I463-F486 HydrophobicContact CD1-CE2 4.01Å; I463-F486 HydrophobicContact CD1-CG 4.06Å; I463-F486 HydrophobicContact CD1-CZ 4.26Å; I463-F486 HydrophobicContact CG2-CD2 4.42Å; I463-F486 HydrophobicContact CG2-CE2 4.31Å
464	Q	90.2	Very high	89.3	Confident	118 Å²	118	52.2 Å²	52.2	55%	0.551	26%	0.257	S	S	*	.			trans	-98.3	95.5	174.1	-67.9	-170.5	-5.5	0	0	110.4	V444	V444-Q464 PolarHBondContact O-NE2 3.01Å
465	P	91.9	Very high	89.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.			trans	-75.3	147	179.4	31.3	-37.8	0	0	0	111.7	Y434 R442 L447 I463 I468 I479	Y434-P465 HydrophobicContact CE2-CB 4.35Å; Y434-P465 HydrophobicContact CE2-CG 3.81Å; Y434-P465 PolarHBondContact OH-O 2.75Å; R442-P465 HydrophobicContact CB-CG 4.31Å; R442-P465 VanDerWaalsContact CD-O 3.31Å; R442-P465 WeakPolarHBondContact CD-O 3.23Å; R442-P465 HydrophobicContact CG-CG 4.43Å; R442-P465 PolarHBondContact NH1-O 2.88Å; L447-P465 HydrophobicContact CB-CG 4.12Å; L447-P465 HydrophobicContact CD1-CG 4.07Å; L447-P465 HydrophobicContact CD2-CG 4.11Å; L447-P465 HydrophobicContact CG-CG 4.31Å; I463-P465 WeakPolarHBondContact O-CD 3.32Å; P465-I468 HydrophobicContact CB-CD1 4.37Å; P465-I468 HydrophobicContact CB-CG1 4.04Å; P465-I468 HydrophobicContact CG-CD1 4.32Å; P465-I468 HydrophobicContact CG-CG1 4.49Å; P465-I479 HydrophobicContact CB-CG2 3.79Å
466	K	89.8	Confident	90	Very high	85 Å²	85	51.9 Å²	51.9	37%	0.37	25%	0.251	S	S	.	.	S	Bend	trans	-94.9	-39.8	161.4	-168.8	-171.7	171.3	-165.3	0	111.4	Y434 A480	Y434-K466 WeakPolarHBondContact CE1-O 3.22Å; Y434-K466 PolarHBondContact OH-O 2.99Å; Y434-K466 VanDerWaalsContact OH-O 3.06Å; K466-A480 PolarHBondContact N-O 3.17Å
467	H	90.4	Very high	90.3	Very high	39 Å²	39	47.1 Å²	47.1	18%	0.181	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152	175.9	-60.2	-77.2	0	0	0	110.8	F469 A480	H467-F469 HydrophobicContact CB-CD2 4.42Å; H467-F469 HydrophobicContact CB-CE1 4.45Å; H467-F469 HydrophobicContact CB-CE2 3.56Å; H467-F469 HydrophobicContact CB-CZ 3.57Å; H467-A480 HydrophobicContact CB-CB 4.4Å; H467-A480 PolarHBondContact N-O 3.48Å; H467-A480 PolarHBondContact O-N 3.22Å
468	I	94.3	Very high	90.6	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.087	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.6	174.3	-57.3	-179.8	0	0	0	107.7	Y434 L447 F449 P465 V477 C478	Y434-I468 HydrophobicContact CD1-CB 4.32Å; Y434-I468 HydrophobicContact CD1-CG1 4.19Å; Y434-I468 HydrophobicContact CD2-CD1 3.44Å; Y434-I468 VanDerWaalsContact CD2-CD1 3.44Å; Y434-I468 HydrophobicContact CD2-CG1 3.94Å; Y434-I468 HydrophobicContact CE2-CD1 4.05Å; Y434-I468 HydrophobicContact CE2-CG1 4.32Å; Y434-I468 HydrophobicContact CG-CB 4.13Å; Y434-I468 HydrophobicContact CG-CD1 3.69Å; Y434-I468 HydrophobicContact CG-CG1 3.86Å; L447-I468 HydrophobicContact CD1-CD1 3.6Å; L447-I468 HydrophobicContact CD2-CD1 3.51Å; L447-I468 HydrophobicContact CD2-CG1 4.48Å; L447-I468 HydrophobicContact CG-CD1 4.18Å; F449-I468 HydrophobicContact CE1-CD1 4.21Å; F449-I468 HydrophobicContact CZ-CD1 4.21Å; F449-I468 HydrophobicContact CZ-CG2 4.49Å; P465-I468 HydrophobicContact CB-CD1 4.37Å; P465-I468 HydrophobicContact CB-CG1 4.04Å; P465-I468 HydrophobicContact CG-CD1 4.32Å; P465-I468 HydrophobicContact CG-CG1 4.49Å; I468-V477 HydrophobicContact CG2-CG2 3.49Å; I468-V477 VanDerWaalsContact CG2-CG2 3.49Å; I468-C478 WeakPolarHBondContact CA-O 3.49Å
469	F	94	Very high	90.9	Very high	38 Å²	38	45 Å²	45	17%	0.167	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.5	179.6	-55	-78.6	0	0	0	109.6	H467 V477 C478 A480 V524 G527 W529 F534	H467-F469 HydrophobicContact CB-CD2 4.42Å; H467-F469 HydrophobicContact CB-CE1 4.45Å; H467-F469 HydrophobicContact CB-CE2 3.56Å; H467-F469 HydrophobicContact CB-CZ 3.57Å; F469-V477 WeakPolarHBondContact O-CA 3.38Å; F469-C478 HydrophobicContact CB-CB 4.34Å; F469-C478 PolarHBondContact N-O 3.32Å; F469-C478 PolarHBondContact O-N 3.2Å; F469-A480 HydrophobicContact CE2-CB 4.37Å; F469-V524 HydrophobicContact CE2-CG1 4.2Å; F469-G527 WeakPolarHBondContact CD1-O 3.35Å; F469-G527 WeakPolarHBondContact CE1-O 3.39Å; F469-W529 PolarHBondContact O-NE1 2.77Å; F469-F534 HydrophobicContact CB-CE2 3.83Å; F469-F534 AromaticContact CD2-CE2 3.9Å; F469-F534 HydrophobicContact CD2-CE2 3.9Å; F469-F534 AromaticContact CD2-CZ 3.75Å; F469-F534 HydrophobicContact CD2-CZ 3.75Å; F469-F534 HydrophobicContact CE2-CZ 4.3Å; F469-F534 AromaticContact CG-CE2 3.99Å; F469-F534 HydrophobicContact CG-CE2 3.99Å; F469-F534 HydrophobicContact CG-CZ 4.31Å
470	W	93.9	Very high	91	Very high	28 Å²	28	42.8 Å²	42.8	11%	0.106	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	143.4	174.7	-73.4	88.4	0	0	0	110.9	F437 L438 F449 G474 V477 Y490 F514 W529	F437-W470 HydrophobicContact CB-CD2 4.19Å; F437-W470 HydrophobicContact CB-CE3 3.94Å; F437-W470 HydrophobicContact CB-CZ3 4.11Å; F437-W470 HydrophobicContact CD2-CB 4.12Å; F437-W470 HydrophobicContact CD2-CD2 4.37Å; F437-W470 HydrophobicContact CD2-CE3 4.11Å; F437-W470 HydrophobicContact CD2-CG 4.41Å; F437-W470 HydrophobicContact CG-CE3 4.37Å; L438-W470 HydrophobicContact CB-CH2 4.33Å; L438-W470 HydrophobicContact CB-CZ2 3.92Å; L438-W470 HydrophobicContact CD1-CH2 3.97Å; L438-W470 HydrophobicContact CD1-CZ2 4.28Å; L438-W470 HydrophobicContact CG-CH2 4.02Å; L438-W470 HydrophobicContact CG-CZ2 4.14Å; F449-W470 HydrophobicContact CD1-CZ2 4.14Å; F449-W470 AromaticContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CE1-CZ2 3.71Å; F449-W470 HydrophobicContact CZ-CZ2 4.18Å; W470-G474 WeakPolarHBondContact CZ3-O 3.41Å; W470-V477 HydrophobicContact CD2-CB 4Å; W470-V477 HydrophobicContact CD2-CG2 3.86Å; W470-V477 HydrophobicContact CE3-CB 3.89Å; W470-V477 HydrophobicContact CE3-CG2 4.27Å; W470-V477 HydrophobicContact CG-CG2 4.22Å; W470-V477 HydrophobicContact CH2-CB 4.25Å; W470-V477 HydrophobicContact CH2-CG1 4.46Å; W470-V477 HydrophobicContact CZ2-CB 4.35Å; W470-V477 HydrophobicContact CZ2-CG2 4.12Å; W470-V477 HydrophobicContact CZ3-CB 4.03Å; W470-Y490 HydrophobicContact CH2-CD1 4.45Å; W470-Y490 HydrophobicContact CH2-CG 4.22Å; W470-Y490 HydrophobicContact CZ3-CD1 4.17Å; W470-Y490 HydrophobicContact CZ3-CG 4.14Å; W470-F514 HydrophobicContact CH2-CE1 4Å; W470-F514 HydrophobicContact CH2-CZ 4.05Å; W470-W529 VanDerWaalsContact O-CD1 3.23Å
471	S	92.2	Very high	91.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.206	C	C	.	.			trans	-69.3	155.9	166.7	56.9	0	0	0	0	111.4	F437 S473 G474 E475 L476	F437-S471 WeakPolarHBondContact CE2-O 3.4Å; S471-S473 PolarHBondContact O-N 3.37Å; S471-S473 PolarHBondContact OG-OG 3.09Å; S471-G474 PolarHBondContact O-N 3.02Å; S471-G474 PolarHBondContact OG-N 3.34Å; S471-E475 PolarHBondContact OG-N 3.09Å; S471-L476 WeakPolarHBondContact CB-O 3.25Å; S471-L476 PolarHBondContact N-O 2.9Å; S471-L476 WeakPolarHBondContact OG-CA 3.45Å; S471-L476 PolarHBondContact OG-N 3.3Å; S471-L476 PolarHBondContact OG-O 3.35Å
472	D	85.6	Confident	90.9	Very high	121 Å²	121	47.3 Å²	47.3	65%	0.647	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.3	179.8	-69.6	-25	0	0	0	113.3	F437	F437-D472 WeakPolarHBondContact CZ-O 3.31Å
473	S	85.6	Confident	90.9	Very high	65 Å²	65	46.8 Å²	46.8	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.6	174.3	59.4	0	0	0	0	113.2	S471 E475	S471-S473 PolarHBondContact O-N 3.37Å; S471-S473 PolarHBondContact OG-OG 3.09Å; S473-E475 PolarHBondContact O-N 3.3Å; S473-E475 PolarHBondContact OG-N 2.92Å
474	G	85.8	Confident	91.1	Very high	4 Å²	4	45.7 Å²	45.7	4%	0.041	23%	0.226	C	C	.	.	S	Bend	trans	77.8	1.9	-174.1	0	0	0	0	0	114.7	F437 W470 S471 Y490	F437-G474 VanDerWaalsContact CE2-N 3.34Å; W470-G474 WeakPolarHBondContact CZ3-O 3.41Å; S471-G474 PolarHBondContact O-N 3.02Å; S471-G474 PolarHBondContact OG-N 3.34Å; G474-Y490 WeakPolarHBondContact O-CD1 3.42Å
475	E	89.6	Confident	91.3	Very high	92 Å²	92	40.1 Å²	40.1	43%	0.43	20%	0.2	S	C	.	.	S	Bend	trans	-81.9	-30.3	179.8	-66.2	-175.8	-171.9	0	0	112.8	S471 S473 K489 Y490	S471-E475 PolarHBondContact OG-N 3.09Å; S473-E475 PolarHBondContact O-N 3.3Å; S473-E475 PolarHBondContact OG-N 2.92Å; E475-K489 CarbonylContact O-C 3.59Å; E475-K489 VanDerWaalsContact O-CA 3.25Å; E475-K489 WeakPolarHBondContact O-CA 3.25Å; E475-K489 WeakPolarHBondContact O-CG 3.48Å; E475-Y490 PolarHBondContact O-N 3.16Å
476	L	92.2	Very high	91.4	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.5	-178.9	-60.7	172.8	0	0	0	110.9	S471 L488 K489 L517 W529 D532	S471-L476 WeakPolarHBondContact CB-O 3.25Å; S471-L476 PolarHBondContact N-O 2.9Å; S471-L476 WeakPolarHBondContact OG-CA 3.45Å; S471-L476 PolarHBondContact OG-N 3.3Å; S471-L476 PolarHBondContact OG-O 3.35Å; L476-L488 WeakPolarHBondContact CA-O 3.31Å; L476-K489 HydrophobicContact CD2-CB 4.18Å; L476-K489 HydrophobicContact CD2-CG 4.26Å; L476-L517 HydrophobicContact CD2-CD1 3.54Å; L476-W529 HydrophobicContact CB-CE3 4.46Å; L476-W529 HydrophobicContact CB-CH2 3.73Å; L476-W529 HydrophobicContact CB-CZ2 4.02Å; L476-W529 HydrophobicContact CB-CZ3 3.97Å; L476-W529 HydrophobicContact CD1-CE3 4.35Å; L476-W529 HydrophobicContact CD1-CH2 4.02Å; L476-W529 HydrophobicContact CD1-CZ3 3.63Å; L476-W529 HydrophobicContact CG-CH2 4.45Å; L476-W529 HydrophobicContact CG-CZ3 4.44Å; L476-D532 HydrophobicContact CD1-CB 3.88Å
477	V	94.4	Very high	91.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.5	173	65.3	0	0	0	0	110.3	I468 F469 W470 L488 F514	I468-V477 HydrophobicContact CG2-CG2 3.49Å; I468-V477 VanDerWaalsContact CG2-CG2 3.49Å; F469-V477 WeakPolarHBondContact O-CA 3.38Å; W470-V477 HydrophobicContact CD2-CB 4Å; W470-V477 HydrophobicContact CD2-CG2 3.86Å; W470-V477 HydrophobicContact CE3-CB 3.89Å; W470-V477 HydrophobicContact CE3-CG2 4.27Å; W470-V477 HydrophobicContact CG-CG2 4.22Å; W470-V477 HydrophobicContact CH2-CB 4.25Å; W470-V477 HydrophobicContact CH2-CG1 4.46Å; W470-V477 HydrophobicContact CZ2-CB 4.35Å; W470-V477 HydrophobicContact CZ2-CG2 4.12Å; W470-V477 HydrophobicContact CZ3-CB 4.03Å; V477-L488 HydrophobicContact CG1-CB 3.69Å; V477-L488 HydrophobicContact CG1-CD1 4.15Å; V477-L488 HydrophobicContact CG1-CG 4.46Å; V477-L488 PolarHBondContact N-O 3.28Å; V477-L488 PolarHBondContact O-N 3.34Å; V477-F514 HydrophobicContact CG1-CD1 4.21Å; V477-F514 HydrophobicContact CG1-CE1 3.8Å
478	C	94.4	Very high	91.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.4	170.9	175.8	0	0	0	0	109.1	I468 F469 F485 F486 W529 F534	I468-C478 WeakPolarHBondContact CA-O 3.49Å; F469-C478 HydrophobicContact CB-CB 4.34Å; F469-C478 PolarHBondContact N-O 3.32Å; F469-C478 PolarHBondContact O-N 3.2Å; C478-F485 VanDerWaalsContact SG-CD2 3.55Å; C478-F486 CarbonylContact C-O 3.58Å; C478-F486 WeakPolarHBondContact CA-O 3.49Å; C478-W529 HydrophobicContact CB-CZ2 3.77Å; C478-F534 HydrophobicContact CB-CD1 4.42Å; C478-F534 HydrophobicContact CB-CD2 4.06Å; C478-F534 HydrophobicContact CB-CE1 4.2Å; C478-F534 HydrophobicContact CB-CE2 3.83Å; C478-F534 HydrophobicContact CB-CG 4.35Å; C478-F534 HydrophobicContact CB-CZ 3.89Å; C478-F534 WeakPolarHBondContact SG-CE1 3.23Å; C478-F534 WeakPolarHBondContact SG-CZ 3.43Å
479	I	94.8	Very high	91.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	108.2	173.3	-56.8	-173.1	0	0	0	108	L447 F449 I461 I463 P465 F485 F486 L488	L447-I479 HydrophobicContact CD2-CD1 3.71Å; F449-I479 HydrophobicContact CE2-CD1 4.4Å; F449-I479 HydrophobicContact CZ-CD1 4.43Å; I461-I479 HydrophobicContact CD1-CD1 4.08Å; I463-I479 HydrophobicContact CG2-CG2 4.11Å; P465-I479 HydrophobicContact CB-CG2 3.79Å; I479-F485 CarbonylContact O-C 3.55Å; I479-F485 VanDerWaalsContact O-CA 3.25Å; I479-F485 WeakPolarHBondContact O-CA 3.32Å; I479-F486 HydrophobicContact CB-CB 4.45Å; I479-F486 PolarHBondContact N-O 3.27Å; I479-F486 PolarHBondContact O-N 2.97Å; I479-L488 HydrophobicContact CD1-CD1 3.3Å; I479-L488 HydrophobicContact CG1-CD1 3.94Å
480	A	94.1	Very high	91.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.6	177.5	0	0	0	0	0	110.6	K466 H467 F469 F485 V524	K466-A480 PolarHBondContact N-O 3.17Å; H467-A480 HydrophobicContact CB-CB 4.4Å; H467-A480 PolarHBondContact N-O 3.48Å; H467-A480 PolarHBondContact O-N 3.22Å; F469-A480 HydrophobicContact CE2-CB 4.37Å; A480-F485 HydrophobicContact CB-CB 4.32Å; A480-V524 HydrophobicContact CB-CB 3.96Å; A480-V524 HydrophobicContact CB-CG1 4.39Å
481	T	92.7	Very high	91.5	Very high	16 Å²	16	38.9 Å²	38.9	10%	0.098	20%	0.195	C	C	.	.			trans	-103	-172.3	174.8	75.8	0	0	0	0	110.8	I463 E483 S484 F486	I463-T481 HydrophobicContact CG2-CG2 3.36Å; T481-E483 VanDerWaalsContact C-N 3.31Å; T481-E483 PolarHBondContact OG1-N 3.41Å; T481-S484 WeakPolarHBondContact CA-O 3.5Å; T481-S484 WeakPolarHBondContact CB-O 3.49Å; T481-S484 PolarHBondContact N-O 3.46Å; T481-S484 PolarHBondContact OG1-N 3.13Å; T481-S484 PolarHBondContact OG1-O 2.87Å; T481-F486 HydrophobicContact CG2-CD2 4.04Å; T481-F486 HydrophobicContact CG2-CE2 3.77Å
482	E	86.3	Confident	91.3	Very high	149 Å²	149	41.6 Å²	41.6	70%	0.696	22%	0.215	S	C	*	.	S	Bend	trans	-73.1	-23.4	176.7	-63.7	-165.8	161	0	0	113.3	I523	E482-I523 WeakPolarHBondContact O-CD1 3.34Å; E482-I523 VanDerWaalsContact O-CG1 3.32Å; E482-I523 WeakPolarHBondContact O-CG1 3.36Å
483	E	88.8	Confident	91.3	Very high	160 Å²	160	43.7 Å²	43.7	75%	0.748	22%	0.22	S	C	*	.	S	Bend	trans	-117.9	-39.9	-173.3	-62.4	-174.4	170	0	0	112.9	T481 E522	T481-E483 VanDerWaalsContact C-N 3.31Å; T481-E483 PolarHBondContact OG1-N 3.41Å; E483-E522 CarbonylContact O-C 3.59Å
484	S	92.6	Very high	91.3	Very high	12 Å²	12	45 Å²	45	8%	0.084	22%	0.218	C	C	.	.			trans	-136.4	170	-176.1	62.5	0	0	0	0	112.1	T481 F486 I520	T481-S484 WeakPolarHBondContact CA-O 3.5Å; T481-S484 WeakPolarHBondContact CB-O 3.49Å; T481-S484 PolarHBondContact N-O 3.46Å; T481-S484 PolarHBondContact OG1-N 3.13Å; T481-S484 PolarHBondContact OG1-O 2.87Å; S484-F486 WeakPolarHBondContact OG-CE2 3.45Å; S484-I520 CarbonylContact C-O 3.56Å; S484-I520 VanDerWaalsContact CA-O 3.24Å; S484-I520 WeakPolarHBondContact CA-O 3.26Å; S484-I520 WeakPolarHBondContact CB-O 3.5Å
485	F	94.1	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.6	166.1	71.1	-85.7	0	0	0	111.7	C478 I479 A480 I487 I520 E522 V524 F534 Y536	C478-F485 VanDerWaalsContact SG-CD2 3.55Å; I479-F485 CarbonylContact O-C 3.55Å; I479-F485 VanDerWaalsContact O-CA 3.25Å; I479-F485 WeakPolarHBondContact O-CA 3.32Å; A480-F485 HydrophobicContact CB-CB 4.32Å; F485-I487 HydrophobicContact CD2-CD1 4.41Å; F485-I487 HydrophobicContact CD2-CG1 4.19Å; F485-I487 HydrophobicContact CE2-CD1 3.9Å; F485-I487 HydrophobicContact CE2-CG1 4.18Å; F485-I520 HydrophobicContact CD1-CB 4.01Å; F485-I520 HydrophobicContact CD1-CG2 4.12Å; F485-I520 HydrophobicContact CD2-CD1 4.13Å; F485-I520 HydrophobicContact CE1-CB 3.58Å; F485-I520 HydrophobicContact CE1-CD1 4.14Å; F485-I520 HydrophobicContact CE1-CG1 4.44Å; F485-I520 HydrophobicContact CE1-CG2 3.38Å; F485-I520 HydrophobicContact CE2-CB 4.21Å; F485-I520 HydrophobicContact CE2-CD1 3.31Å; F485-I520 HydrophobicContact CE2-CG1 4.37Å; F485-I520 HydrophobicContact CZ-CB 3.7Å; F485-I520 HydrophobicContact CZ-CD1 3.33Å; F485-I520 HydrophobicContact CZ-CG1 4.05Å; F485-I520 HydrophobicContact CZ-CG2 3.74Å; F485-I520 PolarHBondContact N-O 2.98Å; F485-I520 PolarHBondContact O-N 3.07Å; F485-E522 WeakPolarHBondContact CD1-O 3.24Å; F485-E522 HydrophobicContact CE1-CB 4.24Å; F485-V524 HydrophobicContact CB-CG2 3.96Å; F485-V524 HydrophobicContact CD1-CG2 3.36Å; F485-V524 HydrophobicContact CD2-CG2 4.49Å; F485-V524 HydrophobicContact CE1-CG2 3.85Å; F485-V524 HydrophobicContact CG-CG2 3.71Å; F485-F534 HydrophobicContact CD2-CD1 4.44Å; F485-F534 HydrophobicContact CD2-CE1 4.29Å; F485-F534 AromaticContact CE2-CD1 3.97Å; F485-F534 HydrophobicContact CE2-CD1 3.97Å; F485-F534 HydrophobicContact CE2-CE1 4.18Å; F485-Y536 HydrophobicContact CE1-CE1 4.14Å; F485-Y536 HydrophobicContact CE1-CE2 4.23Å; F485-Y536 AromaticContact CE1-CZ 3.83Å; F485-Y536 HydrophobicContact CZ-CD1 4.37Å; F485-Y536 AromaticContact CZ-CE1 3.75Å; F485-Y536 HydrophobicContact CZ-CE1 3.75Å; F485-Y536 AromaticContact CZ-CZ 3.91Å
486	F	94.1	Very high	91	Very high	33 Å²	33	45.5 Å²	45.5	15%	0.145	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.3	-177.2	-60.7	-92.7	0	0	0	109.5	I463 C478 I479 T481 S484 E519	I463-F486 HydrophobicContact CD1-CD1 4.31Å; I463-F486 HydrophobicContact CD1-CD2 3.9Å; I463-F486 HydrophobicContact CD1-CE1 4.39Å; I463-F486 HydrophobicContact CD1-CE2 4.01Å; I463-F486 HydrophobicContact CD1-CG 4.06Å; I463-F486 HydrophobicContact CD1-CZ 4.26Å; I463-F486 HydrophobicContact CG2-CD2 4.42Å; I463-F486 HydrophobicContact CG2-CE2 4.31Å; C478-F486 CarbonylContact C-O 3.58Å; C478-F486 WeakPolarHBondContact CA-O 3.49Å; I479-F486 HydrophobicContact CB-CB 4.45Å; I479-F486 PolarHBondContact N-O 3.27Å; I479-F486 PolarHBondContact O-N 2.97Å; T481-F486 HydrophobicContact CG2-CD2 4.04Å; T481-F486 HydrophobicContact CG2-CE2 3.77Å; S484-F486 WeakPolarHBondContact OG-CE2 3.45Å; F486-E519 HydrophobicContact CD1-CB 3.89Å; F486-E519 HydrophobicContact CD1-CG 3.87Å; F486-E519 HydrophobicContact CE1-CB 3.86Å; F486-E519 HydrophobicContact CE1-CG 3.46Å; F486-E519 VanDerWaalsContact CE1-CG 3.46Å; F486-E519 WeakPolarHBondContact CE1-OE2 3.48Å; F486-E519 HydrophobicContact CZ-CG 3.94Å
487	I	93.9	Very high	90.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.6	172.5	-65.3	173.6	0	0	0	108.4	F485 L517 G518 I520 W529 Y546	F485-I487 HydrophobicContact CD2-CD1 4.41Å; F485-I487 HydrophobicContact CD2-CG1 4.19Å; F485-I487 HydrophobicContact CE2-CD1 3.9Å; F485-I487 HydrophobicContact CE2-CG1 4.18Å; I487-L517 HydrophobicContact CG2-CB 4.25Å; I487-L517 HydrophobicContact CG2-CD1 4.09Å; I487-L517 PolarHBondContact O-N 2.83Å; I487-G518 PolarHBondContact N-O 2.86Å; I487-G518 PolarHBondContact O-N 2.72Å; I487-I520 HydrophobicContact CD1-CD1 4.26Å; I487-W529 HydrophobicContact CD1-CH2 4.35Å; I487-W529 HydrophobicContact CG1-CH2 4.48Å; I487-W529 HydrophobicContact CG2-CH2 3.95Å; I487-W529 HydrophobicContact CG2-CZ2 4.46Å; I487-Y546 HydrophobicContact CD1-CD1 3.09Å; I487-Y546 HydrophobicContact CD1-CD2 4.29Å; I487-Y546 HydrophobicContact CD1-CE1 3.01Å; I487-Y546 HydrophobicContact CD1-CE2 4.21Å; I487-Y546 HydrophobicContact CD1-CG 3.74Å; I487-Y546 HydrophobicContact CG1-CE1 4.38Å
488	L	93.4	Very high	89.9	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.4	179.5	-55.1	158.8	0	0	0	109.3	I461 L476 V477 I479 F514 E515 V516	I461-L488 HydrophobicContact CD1-CD1 3.81Å; L476-L488 WeakPolarHBondContact CA-O 3.31Å; V477-L488 HydrophobicContact CG1-CB 3.69Å; V477-L488 HydrophobicContact CG1-CD1 4.15Å; V477-L488 HydrophobicContact CG1-CG 4.46Å; V477-L488 PolarHBondContact N-O 3.28Å; V477-L488 PolarHBondContact O-N 3.34Å; I479-L488 HydrophobicContact CD1-CD1 3.3Å; I479-L488 HydrophobicContact CG1-CD1 3.94Å; L488-F514 HydrophobicContact CB-CD1 4.01Å; L488-F514 HydrophobicContact CD1-CD1 4.37Å; L488-E515 CarbonylContact C-O 3.49Å; L488-E515 VanDerWaalsContact CA-O 3.23Å; L488-E515 WeakPolarHBondContact CA-O 3.27Å; L488-V516 HydrophobicContact CD2-CB 4.04Å; L488-V516 HydrophobicContact CD2-CG1 4.22Å; L488-V516 HydrophobicContact CD2-CG2 3.57Å
489	K	92.6	Very high	89.1	Confident	71 Å²	71	50.2 Å²	50.2	31%	0.309	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.7	167.4	-171.5	176.8	-178	178.2	0	109.4	E475 L476 L491 F514 E515 L517	E475-K489 CarbonylContact O-C 3.59Å; E475-K489 VanDerWaalsContact O-CA 3.25Å; E475-K489 WeakPolarHBondContact O-CA 3.25Å; E475-K489 WeakPolarHBondContact O-CG 3.48Å; L476-K489 HydrophobicContact CD2-CB 4.18Å; L476-K489 HydrophobicContact CD2-CG 4.26Å; K489-L491 HydrophobicContact CD-CD2 4.19Å; K489-L491 HydrophobicContact CG-CD2 4.28Å; K489-F514 CarbonylContact O-C 3.59Å; K489-F514 VanDerWaalsContact O-CA 3.31Å; K489-F514 WeakPolarHBondContact O-CA 3.45Å; K489-E515 HydrophobicContact CB-CB 4.38Å; K489-E515 PolarHBondContact N-O 2.78Å; K489-E515 PolarHBondContact O-N 2.75Å; K489-L517 HydrophobicContact CB-CD1 4.14Å; K489-L517 HydrophobicContact CB-CD2 4.35Å; K489-L517 HydrophobicContact CB-CG 4.16Å
490	Y	93.8	Very high	88.5	Confident	30 Å²	30	58.1 Å²	58.1	12%	0.118	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	174.7	177.7	-120.6	0	0	0	110.4	L438 I458 W470 G474 E475 V495 A513 F514	L438-Y490 HydrophobicContact CD1-CD2 4.22Å; L438-Y490 HydrophobicContact CD1-CE1 4.42Å; L438-Y490 HydrophobicContact CD1-CE2 3.72Å; I458-Y490 HydrophobicContact CG2-CE2 4.37Å; W470-Y490 HydrophobicContact CH2-CD1 4.45Å; W470-Y490 HydrophobicContact CH2-CG 4.22Å; W470-Y490 HydrophobicContact CZ3-CD1 4.17Å; W470-Y490 HydrophobicContact CZ3-CG 4.14Å; G474-Y490 WeakPolarHBondContact O-CD1 3.42Å; E475-Y490 PolarHBondContact O-N 3.16Å; Y490-V495 HydrophobicContact CE2-CG2 3.81Å; Y490-A513 WeakPolarHBondContact CD2-O 3.02Å; Y490-F514 HydrophobicContact CD2-CD1 4.21Å; Y490-F514 HydrophobicContact CD2-CD2 4.5Å; Y490-F514 AromaticContact CD2-CE1 3.72Å; Y490-F514 HydrophobicContact CD2-CE1 3.72Å; Y490-F514 HydrophobicContact CD2-CE2 4.05Å; Y490-F514 AromaticContact CD2-CZ 3.65Å; Y490-F514 HydrophobicContact CD2-CZ 3.65Å; Y490-F514 HydrophobicContact CE2-CE2 4.44Å; Y490-F514 HydrophobicContact CE2-CZ 4.29Å; Y490-F514 HydrophobicContact CG-CE1 4.11Å; Y490-F514 HydrophobicContact CG-CZ 4.37Å
491	L	91.1	Very high	87.7	Confident	37 Å²	37	62.1 Å²	62.1	19%	0.194	32%	0.316	C	S	.	.			trans	-109.5	85.2	-178.2	-62.6	175.5	0	0	0	110.1	K489 E493 K494 V495 A513	K489-L491 HydrophobicContact CD-CD2 4.19Å; K489-L491 HydrophobicContact CG-CD2 4.28Å; L491-E493 VanDerWaalsContact C-N 3.29Å; L491-E493 PolarHBondContact O-N 3.48Å; L491-K494 HydrophobicContact CB-CB 4.31Å; L491-K494 HydrophobicContact CB-CD 4.37Å; L491-K494 HydrophobicContact CB-CG 4.22Å; L491-K494 HydrophobicContact CD1-CD 3.9Å; L491-K494 HydrophobicContact CD1-CG 4.5Å; L491-K494 PolarHBondContact O-N 3.05Å; L491-V495 PolarHBondContact O-N 3.01Å; L491-A513 PolarHBondContact N-O 3.05Å
492	S	86.9	Confident	86.7	Confident	59 Å²	59	68.9 Å²	68.9	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-59.3	-36.5	-178.3	57.8	0	0	0	0	113.5	K494 V495 L496	S492-K494 VanDerWaalsContact C-N 3.34Å; S492-K494 PolarHBondContact O-N 3.18Å; S492-V495 PolarHBondContact O-N 2.94Å; S492-L496 WeakPolarHBondContact O-CG 3.13Å; S492-L496 PolarHBondContact O-N 2.78Å
493	E	87.3	Confident	85.7	Confident	164 Å²	164	69.1 Å²	69.1	77%	0.766	35%	0.347	S	S	*	.	H	α-helix	trans	-61.2	-40.9	179	-63.2	-176.5	170.5	0	0	112.4	L491 V495 L496 A497	L491-E493 VanDerWaalsContact C-N 3.29Å; L491-E493 PolarHBondContact O-N 3.48Å; E493-V495 VanDerWaalsContact C-N 3.34Å; E493-L496 PolarHBondContact O-N 3.16Å; E493-A497 WeakPolarHBondContact O-CB 3.46Å; E493-A497 PolarHBondContact O-N 3.33Å
494	K	84.1	Confident	84.3	Confident	94 Å²	94	64.1 Å²	64.1	41%	0.409	34%	0.339	S	S	.	.	H	α-helix	trans	-69.7	-34.6	177.9	-67.5	-164.2	-177.8	176	0	111.8	L491 S492 A498 D512	L491-K494 HydrophobicContact CB-CB 4.31Å; L491-K494 HydrophobicContact CB-CD 4.37Å; L491-K494 HydrophobicContact CB-CG 4.22Å; L491-K494 HydrophobicContact CD1-CD 3.9Å; L491-K494 HydrophobicContact CD1-CG 4.5Å; L491-K494 PolarHBondContact O-N 3.05Å; S492-K494 VanDerWaalsContact C-N 3.34Å; S492-K494 PolarHBondContact O-N 3.18Å; K494-A498 VanDerWaalsContact O-CB 3.31Å; K494-A498 WeakPolarHBondContact O-CB 3.34Å; K494-A498 PolarHBondContact O-N 3.1Å; K494-D512 HydrophobicContact CD-CB 3.81Å; K494-D512 IonicContact NZ-OD1 3.85Å; K494-D512 PolarHBondContact NZ-OD1 2.89Å
495	V	84.5	Confident	83.3	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.024	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-47.1	175.5	175	0	0	0	0	110.8	I458 Y490 L491 S492 E493 A498 Q499 I510 A513	I458-V495 HydrophobicContact CG1-CG1 4.46Å; I458-V495 HydrophobicContact CG2-CG1 4.21Å; I458-V495 HydrophobicContact CG2-CG2 3.99Å; Y490-V495 HydrophobicContact CE2-CG2 3.81Å; L491-V495 PolarHBondContact O-N 3.01Å; S492-V495 PolarHBondContact O-N 2.94Å; E493-V495 VanDerWaalsContact C-N 3.34Å; V495-A498 PolarHBondContact O-N 2.91Å; V495-Q499 WeakPolarHBondContact O-CB 3.49Å; V495-Q499 WeakPolarHBondContact O-CG 3.49Å; V495-Q499 PolarHBondContact O-N 3.35Å; V495-I510 HydrophobicContact CB-CD1 4.41Å; V495-I510 HydrophobicContact CG1-CD1 3.95Å; V495-I510 HydrophobicContact CG2-CD1 4.47Å; V495-A513 HydrophobicContact CG2-CB 3.52Å
496	L	84.4	Confident	82.5	Confident	102 Å²	102	70.7 Å²	70.7	53%	0.534	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-45	176.9	-69.5	171.6	0	0	0	111.6	S492 E493 A498 Q499 E500	S492-L496 WeakPolarHBondContact O-CG 3.13Å; S492-L496 PolarHBondContact O-N 2.78Å; E493-L496 PolarHBondContact O-N 3.16Å; L496-A498 PolarHBondContact O-N 3.29Å; L496-Q499 PolarHBondContact O-N 2.82Å; L496-E500 WeakPolarHBondContact O-CG 3.48Å; L496-E500 PolarHBondContact O-N 2.86Å
497	A	83.8	Confident	81.5	Confident	50 Å²	50	77.6 Å²	77.6	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-60.8	-44.6	177.5	0	0	0	0	0	112.3	E493 Q499 E500 T501	E493-A497 WeakPolarHBondContact O-CB 3.46Å; E493-A497 PolarHBondContact O-N 3.33Å; A497-Q499 VanDerWaalsContact C-N 3.33Å; A497-Q499 PolarHBondContact O-N 3.32Å; A497-E500 PolarHBondContact O-N 2.82Å; A497-T501 WeakPolarHBondContact O-CG2 3.34Å; A497-T501 PolarHBondContact O-N 2.84Å; A497-T501 PolarHBondContact O-OG1 2.91Å
498	A	79.8	Confident	80.8	Confident	11 Å²	11	80.7 Å²	80.7	9%	0.091	43%	0.427	C	S	.	.	H	α-helix	trans	-68	-31.4	178.1	0	0	0	0	0	112.9	K494 V495 L496 H502 I510	K494-A498 VanDerWaalsContact O-CB 3.31Å; K494-A498 WeakPolarHBondContact O-CB 3.34Å; K494-A498 PolarHBondContact O-N 3.1Å; V495-A498 PolarHBondContact O-N 2.91Å; L496-A498 PolarHBondContact O-N 3.29Å; A498-H502 WeakPolarHBondContact O-CA 3.42Å; A498-H502 PolarHBondContact O-N 3.47Å; A498-I510 HydrophobicContact CB-CD1 3.96Å; A498-I510 HydrophobicContact CB-CG1 4.14Å; A498-I510 HydrophobicContact CB-CG2 4.03Å
499	Q	78.8	Confident	80.3	Confident	52 Å²	52	80.4 Å²	80.4	24%	0.243	43%	0.426	C	S	.	.	H	α-helix	trans	-69.2	-36.3	173.3	-77.9	177.7	-29.3	0	0	112.3	V495 L496 A497	V495-Q499 WeakPolarHBondContact O-CB 3.49Å; V495-Q499 WeakPolarHBondContact O-CG 3.49Å; V495-Q499 PolarHBondContact O-N 3.35Å; L496-Q499 PolarHBondContact O-N 2.82Å; A497-Q499 VanDerWaalsContact C-N 3.33Å; A497-Q499 PolarHBondContact O-N 3.32Å
500	E	82	Confident	79.9	Confident	167 Å²	167	77.5 Å²	77.5	78%	0.78	41%	0.414	S	S	*	.	H	α-helix	trans	-74.6	-38.7	177.4	-72.1	-177.1	175.3	0	0	112.9	L496 A497	L496-E500 WeakPolarHBondContact O-CG 3.48Å; L496-E500 PolarHBondContact O-N 2.86Å; A497-E500 PolarHBondContact O-N 2.82Å
501	T	77.7	Confident	79.3	Confident	83 Å²	83	82.4 Å²	82.4	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-86.4	-19.5	-177.9	58.1	0	0	0	0	113.4	A497 E503	A497-T501 WeakPolarHBondContact O-CG2 3.34Å; A497-T501 PolarHBondContact O-N 2.84Å; A497-T501 PolarHBondContact O-OG1 2.91Å; T501-E503 PolarHBondContact O-N 2.83Å
502	H	71.7	Confident	79	Confident	159 Å²	159	85.4 Å²	85.4	74%	0.736	45%	0.454	S	S	*	.			trans	53.6	15.9	-169.6	-69	-53.2	0	0	0	114.4	A498	A498-H502 WeakPolarHBondContact O-CA 3.42Å; A498-H502 PolarHBondContact O-N 3.47Å
503	E	64.4	Low	79	Confident	153 Å²	153	82.6 Å²	82.6	72%	0.715	44%	0.435	S	S	*	.			trans	-96.5	132.9	175.3	-70.4	-175.6	163.4	0	0	109.5	T501	T501-E503 PolarHBondContact O-N 2.83Å
504	G	60.3	Low	79.2	Confident	56 Å²	56	75.9 Å²	75.9	58%	0.577	40%	0.403	S	S	*	.	S	Bend	trans	91.1	5.2	176.9	0	0	0	0	0	116.3	T506	G504-T506 PolarHBondContact O-N 2.96Å
505	V	71.4	Confident	79.5	Confident	82 Å²	82	76.3 Å²	76.3	50%	0.497	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	106.9	171.5	-175	0	0	0	0	109.3	I510	V505-I510 HydrophobicContact CG2-CG1 4.2Å
506	T	76.7	Confident	79.9	Confident	67 Å²	67	80.8 Å²	80.8	41%	0.411	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	175	174.7	67.3	0	0	0	0	111.3	G504 D508 G509	G504-T506 PolarHBondContact O-N 2.96Å; T506-D508 PolarHBondContact O-N 2.87Å; T506-D508 VanDerWaalsContact O-N 3.13Å; T506-D508 PolarHBondContact OG1-N 2.88Å; T506-G509 PolarHBondContact N-O 2.95Å; T506-G509 PolarHBondContact O-N 3.48Å; T506-G509 PolarHBondContact OG1-O 2.77Å
507	E	72.8	Confident	80.1	Confident	178 Å²	178	80 Å²	80	83%	0.832	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.2	172.7	-66.1	-171.1	165.9	0	0	113.1	R460	R460-E507 PolarHBondContact NH1-O 2.99Å
508	D	78.7	Confident	80.2	Confident	67 Å²	67	78.5 Å²	78.5	36%	0.358	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	15	175.3	-66.7	-41.8	0	0	0	113.2	R459 R460 T506	R459-D508 WeakPolarHBondContact CA-O 3.37Å; R459-D508 VanDerWaalsContact CD-O 3.3Å; R459-D508 WeakPolarHBondContact CD-O 3.43Å; R459-D508 PolarHBondContact NH1-O 2.86Å; R460-D508 HydrophobicContact CB-CB 4.16Å; R460-D508 PolarHBondContact N-O 2.92Å; R460-D508 IonicContact NH1-OD1 2.91Å; R460-D508 PolarHBondContact NH1-OD1 2.96Å; T506-D508 PolarHBondContact O-N 2.87Å; T506-D508 VanDerWaalsContact O-N 3.13Å; T506-D508 PolarHBondContact OG1-N 2.88Å
509	G	83.4	Confident	80.8	Confident	2 Å²	2	83.4 Å²	83.4	2%	0.021	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87	-152.3	179.9	0	0	0	0	0	113.7	I458 T506	I458-G509 CarbonylContact O-C 3.55Å; I458-G509 WeakPolarHBondContact O-CA 3.25Å; T506-G509 PolarHBondContact N-O 2.95Å; T506-G509 PolarHBondContact O-N 3.48Å; T506-G509 PolarHBondContact OG1-O 2.77Å
510	I	84.8	Confident	81.4	Confident	10 Å²	10	81.8 Å²	81.8	5%	0.051	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109	-174.7	-58.3	161	0	0	0	108.8	I458 R459 V495 A498 V505 D512 A513	I458-I510 PolarHBondContact O-N 2.84Å; R459-I510 WeakPolarHBondContact CD-O 3.34Å; V495-I510 HydrophobicContact CB-CD1 4.41Å; V495-I510 HydrophobicContact CG1-CD1 3.95Å; V495-I510 HydrophobicContact CG2-CD1 4.47Å; A498-I510 HydrophobicContact CB-CD1 3.96Å; A498-I510 HydrophobicContact CB-CG1 4.14Å; A498-I510 HydrophobicContact CB-CG2 4.03Å; V505-I510 HydrophobicContact CG2-CG1 4.2Å; I510-D512 VanDerWaalsContact C-N 3.33Å; I510-D512 HydrophobicContact CG2-CB 4.44Å; I510-D512 PolarHBondContact O-N 3.24Å; I510-A513 HydrophobicContact CB-CB 4.15Å; I510-A513 HydrophobicContact CG2-CB 4.16Å; I510-A513 VanDerWaalsContact O-CB 3.24Å; I510-A513 WeakPolarHBondContact O-CB 3.42Å; I510-A513 PolarHBondContact O-N 3.04Å
511	E	81.1	Confident	81.8	Confident	133 Å²	133	82 Å²	82	62%	0.621	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-61.8	-40.7	-177.2	-176	168.1	-163.1	0	0	112.5	A513	E511-A513 PolarHBondContact O-N 3.04Å; E511-A513 VanDerWaalsContact O-N 3.17Å
512	D	83.9	Confident	82.4	Confident	100 Å²	100	80.3 Å²	80.3	54%	0.535	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-70.9	-3.2	179.4	-90.6	-60	0	0	0	115.1	K494 I510 F514	K494-D512 HydrophobicContact CD-CB 3.81Å; K494-D512 IonicContact NZ-OD1 3.85Å; K494-D512 PolarHBondContact NZ-OD1 2.89Å; I510-D512 VanDerWaalsContact C-N 3.33Å; I510-D512 HydrophobicContact CG2-CB 4.44Å; I510-D512 PolarHBondContact O-N 3.24Å; D512-F514 VanDerWaalsContact C-N 3.3Å; D512-F514 PolarHBondContact O-N 3.28Å
513	A	86.9	Confident	83.2	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-68.4	-30.2	-177.1	0	0	0	0	0	112.9	I458 R459 Y490 L491 V495 I510 E511	I458-A513 HydrophobicContact CG2-CB 3.95Å; R459-A513 HydrophobicContact CB-CB 4.5Å; Y490-A513 WeakPolarHBondContact CD2-O 3.02Å; L491-A513 PolarHBondContact N-O 3.05Å; V495-A513 HydrophobicContact CG2-CB 3.52Å; I510-A513 HydrophobicContact CB-CB 4.15Å; I510-A513 HydrophobicContact CG2-CB 4.16Å; I510-A513 VanDerWaalsContact O-CB 3.24Å; I510-A513 WeakPolarHBondContact O-CB 3.42Å; I510-A513 PolarHBondContact O-N 3.04Å; E511-A513 PolarHBondContact O-N 3.04Å; E511-A513 VanDerWaalsContact O-N 3.17Å
514	F	90.9	Very high	84.5	Confident	24 Å²	24	68.7 Å²	68.7	11%	0.105	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137	-178.1	-71.7	-84.7	0	0	0	111.5	L438 F449 R459 W470 V477 L488 K489 Y490 D512	L438-F514 HydrophobicContact CD1-CE2 4.47Å; L438-F514 HydrophobicContact CD1-CZ 4.01Å; F449-F514 HydrophobicContact CB-CE2 4.49Å; F449-F514 AromaticContact CD2-CE2 3.6Å; F449-F514 HydrophobicContact CD2-CE2 3.6Å; F449-F514 AromaticContact CD2-CZ 3.55Å; F449-F514 HydrophobicContact CD2-CZ 3.55Å; F449-F514 HydrophobicContact CE2-CE1 4.27Å; F449-F514 HydrophobicContact CE2-CE2 4.1Å; F449-F514 AromaticContact CE2-CZ 3.71Å; F449-F514 HydrophobicContact CE2-CZ 3.71Å; F449-F514 HydrophobicContact CG-CE2 4.25Å; F449-F514 HydrophobicContact CG-CZ 4.08Å; F449-F514 HydrophobicContact CZ-CZ 4.38Å; R459-F514 HydrophobicContact CB-CD2 3.86Å; R459-F514 HydrophobicContact CB-CE2 3.94Å; R459-F514 HydrophobicContact CG-CD2 3.94Å; R459-F514 HydrophobicContact CG-CE2 4.47Å; W470-F514 HydrophobicContact CH2-CE1 4Å; W470-F514 HydrophobicContact CH2-CZ 4.05Å; V477-F514 HydrophobicContact CG1-CD1 4.21Å; V477-F514 HydrophobicContact CG1-CE1 3.8Å; L488-F514 HydrophobicContact CB-CD1 4.01Å; L488-F514 HydrophobicContact CD1-CD1 4.37Å; K489-F514 CarbonylContact O-C 3.59Å; K489-F514 VanDerWaalsContact O-CA 3.31Å; K489-F514 WeakPolarHBondContact O-CA 3.45Å; Y490-F514 HydrophobicContact CD2-CD1 4.21Å; Y490-F514 HydrophobicContact CD2-CD2 4.5Å; Y490-F514 AromaticContact CD2-CE1 3.72Å; Y490-F514 HydrophobicContact CD2-CE1 3.72Å; Y490-F514 HydrophobicContact CD2-CE2 4.05Å; Y490-F514 AromaticContact CD2-CZ 3.65Å; Y490-F514 HydrophobicContact CD2-CZ 3.65Å; Y490-F514 HydrophobicContact CE2-CE2 4.44Å; Y490-F514 HydrophobicContact CE2-CZ 4.29Å; Y490-F514 HydrophobicContact CG-CE1 4.11Å; Y490-F514 HydrophobicContact CG-CZ 4.37Å; D512-F514 VanDerWaalsContact C-N 3.3Å; D512-F514 PolarHBondContact O-N 3.28Å
515	E	92	Very high	85.9	Confident	103 Å²	103	68.1 Å²	68.1	48%	0.481	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131	172.9	-178	-179.4	-175.8	0	0	109.6	L488 K489 L517	L488-E515 CarbonylContact C-O 3.49Å; L488-E515 VanDerWaalsContact CA-O 3.23Å; L488-E515 WeakPolarHBondContact CA-O 3.27Å; K489-E515 HydrophobicContact CB-CB 4.38Å; K489-E515 PolarHBondContact N-O 2.78Å; K489-E515 PolarHBondContact O-N 2.75Å; E515-L517 PolarHBondContact O-N 2.86Å
516	V	91.6	Very high	86.8	Confident	98 Å²	98	65.3 Å²	65.3	59%	0.594	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.4	178.1	-168.6	0	0	0	0	109.7	L488	L488-V516 HydrophobicContact CD2-CB 4.04Å; L488-V516 HydrophobicContact CD2-CG1 4.22Å; L488-V516 HydrophobicContact CD2-CG2 3.57Å
517	L	88.8	Confident	87.6	Confident	85 Å²	85	62.6 Å²	62.6	45%	0.445	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-37.2	177.7	-64.1	-177.4	0	0	0	112.3	L476 I487 K489 E515	L476-L517 HydrophobicContact CD2-CD1 3.54Å; I487-L517 HydrophobicContact CG2-CB 4.25Å; I487-L517 HydrophobicContact CG2-CD1 4.09Å; I487-L517 PolarHBondContact O-N 2.83Å; K489-L517 HydrophobicContact CB-CD1 4.14Å; K489-L517 HydrophobicContact CB-CD2 4.35Å; K489-L517 HydrophobicContact CB-CG 4.16Å; E515-L517 PolarHBondContact O-N 2.86Å
518	G	86.9	Confident	88.5	Confident	19 Å²	19	55.5 Å²	55.5	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	156.5	-179.1	0	0	0	0	0	113.8	I487	I487-G518 PolarHBondContact N-O 2.86Å; I487-G518 PolarHBondContact O-N 2.72Å
519	E	91.9	Very high	89.1	Confident	114 Å²	114	52.9 Å²	52.9	53%	0.533	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.1	172.6	177.7	-178.7	178.4	0	0	109.1	F486	F486-E519 HydrophobicContact CD1-CB 3.89Å; F486-E519 HydrophobicContact CD1-CG 3.87Å; F486-E519 HydrophobicContact CE1-CB 3.86Å; F486-E519 HydrophobicContact CE1-CG 3.46Å; F486-E519 VanDerWaalsContact CE1-CG 3.46Å; F486-E519 WeakPolarHBondContact CE1-OE2 3.48Å; F486-E519 HydrophobicContact CZ-CG 3.94Å
520	I	91.9	Very high	89.4	Confident	18 Å²	18	53.8 Å²	53.8	9%	0.092	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	-179.5	-64.6	132.1	0	0	0	109.7	S484 F485 I487 E522 Y546 I551	S484-I520 CarbonylContact C-O 3.56Å; S484-I520 VanDerWaalsContact CA-O 3.24Å; S484-I520 WeakPolarHBondContact CA-O 3.26Å; S484-I520 WeakPolarHBondContact CB-O 3.5Å; F485-I520 HydrophobicContact CD1-CB 4.01Å; F485-I520 HydrophobicContact CD1-CG2 4.12Å; F485-I520 HydrophobicContact CD2-CD1 4.13Å; F485-I520 HydrophobicContact CE1-CB 3.58Å; F485-I520 HydrophobicContact CE1-CD1 4.14Å; F485-I520 HydrophobicContact CE1-CG1 4.44Å; F485-I520 HydrophobicContact CE1-CG2 3.38Å; F485-I520 HydrophobicContact CE2-CB 4.21Å; F485-I520 HydrophobicContact CE2-CD1 3.31Å; F485-I520 HydrophobicContact CE2-CG1 4.37Å; F485-I520 HydrophobicContact CZ-CB 3.7Å; F485-I520 HydrophobicContact CZ-CD1 3.33Å; F485-I520 HydrophobicContact CZ-CG1 4.05Å; F485-I520 HydrophobicContact CZ-CG2 3.74Å; F485-I520 PolarHBondContact N-O 2.98Å; F485-I520 PolarHBondContact O-N 3.07Å; I487-I520 HydrophobicContact CD1-CD1 4.26Å; I520-E522 HydrophobicContact CG2-CB 4.22Å; I520-E522 HydrophobicContact CG2-CG 4.29Å; I520-E522 PolarHBondContact O-N 2.89Å; I520-Y546 HydrophobicContact CD1-CD2 3.35Å; I520-Y546 HydrophobicContact CD1-CE2 3.24Å; I520-Y546 HydrophobicContact CD1-CG 4.13Å; I520-Y546 HydrophobicContact CG1-CD2 4.34Å; I520-Y546 HydrophobicContact CG1-CE2 4.15Å; I520-I551 HydrophobicContact CG2-CD1 3.4Å; I520-I551 HydrophobicContact CG2-CG1 4.34Å
521	Q	90.3	Very high	89.3	Confident	171 Å²	171	55.5 Å²	55.5	80%	0.799	30%	0.296	S	S	*	.			trans	-81.9	62	177.9	-64.1	-178.7	-4.6	0	0	111.7
522	E	89.1	Confident	89.6	Confident	47 Å²	47	50.8 Å²	50.8	22%	0.22	28%	0.275	C	S	.	.			trans	-132.4	147.6	166.8	-72.4	-159.4	-175.5	0	0	111	E483 F485 I520 V524 Y536 N544	E483-E522 CarbonylContact O-C 3.59Å; F485-E522 WeakPolarHBondContact CD1-O 3.24Å; F485-E522 HydrophobicContact CE1-CB 4.24Å; I520-E522 HydrophobicContact CG2-CB 4.22Å; I520-E522 HydrophobicContact CG2-CG 4.29Å; I520-E522 PolarHBondContact O-N 2.89Å; E522-V524 PolarHBondContact O-N 2.93Å; E522-Y536 WeakPolarHBondContact OE2-CE2 3.42Å; E522-Y536 PolarHBondContact OE2-OH 2.7Å; E522-Y536 VanDerWaalsContact OE2-OH 3.07Å; E522-N544 PolarHBondContact OE2-ND2 2.7Å; E522-N544 VanDerWaalsContact OE2-ND2 3.1Å
523	I	89.9	Confident	89.9	Confident	66 Å²	66	46 Å²	46	34%	0.338	25%	0.249	S	C	.	.			trans	-88.8	112.9	179.4	-53.8	177	0	0	0	109.3	E482 S538 S539	E482-I523 WeakPolarHBondContact O-CD1 3.34Å; E482-I523 VanDerWaalsContact O-CG1 3.32Å; E482-I523 WeakPolarHBondContact O-CG1 3.36Å; I523-S538 WeakPolarHBondContact O-CA 3.2Å; I523-S539 PolarHBondContact O-N 3.11Å
524	V	92	Very high	90.2	Very high	2 Å²	2	46 Å²	46	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.3	176.9	177.3	0	0	0	0	110.4	F469 A480 F485 E522 F534 Y536	F469-V524 HydrophobicContact CE2-CG1 4.2Å; A480-V524 HydrophobicContact CB-CB 3.96Å; A480-V524 HydrophobicContact CB-CG1 4.39Å; F485-V524 HydrophobicContact CB-CG2 3.96Å; F485-V524 HydrophobicContact CD1-CG2 3.36Å; F485-V524 HydrophobicContact CD2-CG2 4.49Å; F485-V524 HydrophobicContact CE1-CG2 3.85Å; F485-V524 HydrophobicContact CG-CG2 3.71Å; E522-V524 PolarHBondContact O-N 2.93Å; V524-F534 HydrophobicContact CG1-CE1 4.43Å; V524-F534 HydrophobicContact CG1-CZ 4.29Å; V524-F534 HydrophobicContact CG2-CE1 4.27Å; V524-Y536 HydrophobicContact CB-CD2 4.48Å; V524-Y536 HydrophobicContact CG1-CD2 4.46Å; V524-Y536 HydrophobicContact CG1-CG 4.46Å; V524-Y536 HydrophobicContact CG2-CD2 3.76Å; V524-Y536 HydrophobicContact CG2-CE2 4.22Å; V524-Y536 HydrophobicContact CG2-CG 4.08Å
525	K	88.4	Confident	90.4	Very high	45 Å²	45	44.9 Å²	44.9	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-53.3	170.4	-78.9	177.5	170.1	158.2	0	111.5	T537 S539 N541	K525-T537 PolarHBondContact N-O 2.78Å; K525-S539 PolarHBondContact NZ-O 3.12Å; K525-N541 PolarHBondContact NZ-OD1 3.07Å
526	T	90.8	Very high	90.5	Very high	22 Å²	22	40 Å²	40	14%	0.135	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.3	177.5	58.1	0	0	0	0	109.1	Y536 T537 Y562 L563	T526-Y536 CarbonylContact O-C 3.57Å; T526-Y536 WeakPolarHBondContact O-CA 3.46Å; T526-Y536 VanDerWaalsContact O-CB 3.31Å; T526-Y536 WeakPolarHBondContact O-CB 3.36Å; T526-T537 PolarHBondContact N-OG1 3.45Å; T526-T537 PolarHBondContact O-N 3.35Å; T526-T537 PolarHBondContact O-OG1 3Å; T526-T537 PolarHBondContact OG1-OG1 2.84Å; T526-Y562 HydrophobicContact CG2-CD1 3.6Å; T526-Y562 HydrophobicContact CG2-CE1 4.48Å; T526-Y562 HydrophobicContact CG2-CG 4.39Å; T526-L563 VanDerWaalsContact OG1-CB 3.28Å; T526-L563 WeakPolarHBondContact OG1-CB 3.48Å; T526-L563 PolarHBondContact OG1-N 3.44Å
527	G	93	Very high	90.6	Very high	10 Å²	10	35.4 Å²	35.4	10%	0.103	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163	177.6	0	0	0	0	0	112.5	F469 I535	F469-G527 WeakPolarHBondContact CD1-O 3.35Å; F469-G527 WeakPolarHBondContact CE1-O 3.39Å; G527-I535 CarbonylContact C-O 3.56Å; G527-I535 WeakPolarHBondContact CA-O 3.26Å
528	L	92.3	Very high	90.8	Very high	29 Å²	29	31.6 Å²	31.6	15%	0.152	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.3	173.7	69.9	85.8	0	0	0	109.5	V530 I535 L563 G565 L573	L528-V530 HydrophobicContact CD1-CG2 3.28Å; L528-I535 HydrophobicContact CD1-CB 4.41Å; L528-I535 HydrophobicContact CD1-CD1 4.19Å; L528-I535 HydrophobicContact CG-CB 4.44Å; L528-I535 PolarHBondContact N-O 2.76Å; L528-I535 PolarHBondContact O-N 3.27Å; L528-L563 HydrophobicContact CB-CD2 3.95Å; L528-L563 HydrophobicContact CD2-CD1 4.35Å; L528-L563 HydrophobicContact CD2-CD2 3.39Å; L528-L563 HydrophobicContact CD2-CG 3.57Å; L528-L563 HydrophobicContact CG-CD2 3.41Å; L528-L563 VanDerWaalsContact CG-CD2 3.41Å; L528-L563 HydrophobicContact CG-CG 4.19Å; L528-G565 VanDerWaalsContact CD2-CA 3.47Å; L528-L573 HydrophobicContact CD2-CD1 3.89Å
529	W	92.2	Very high	90.7	Very high	13 Å²	13	33 Å²	33	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.7	173.5	-71.5	92.1	0	0	0	110.5	F469 W470 L476 C478 I487 D532 C533 F534	F469-W529 PolarHBondContact O-NE1 2.77Å; W470-W529 VanDerWaalsContact O-CD1 3.23Å; L476-W529 HydrophobicContact CB-CE3 4.46Å; L476-W529 HydrophobicContact CB-CH2 3.73Å; L476-W529 HydrophobicContact CB-CZ2 4.02Å; L476-W529 HydrophobicContact CB-CZ3 3.97Å; L476-W529 HydrophobicContact CD1-CE3 4.35Å; L476-W529 HydrophobicContact CD1-CH2 4.02Å; L476-W529 HydrophobicContact CD1-CZ3 3.63Å; L476-W529 HydrophobicContact CG-CH2 4.45Å; L476-W529 HydrophobicContact CG-CZ3 4.44Å; C478-W529 HydrophobicContact CB-CZ2 3.77Å; I487-W529 HydrophobicContact CD1-CH2 4.35Å; I487-W529 HydrophobicContact CG1-CH2 4.48Å; I487-W529 HydrophobicContact CG2-CH2 3.95Å; I487-W529 HydrophobicContact CG2-CZ2 4.46Å; W529-D532 WeakPolarHBondContact CZ3-O 3.17Å; W529-C533 WeakPolarHBondContact CA-O 3.42Å; W529-F534 AromaticContact CD1-CD2 3.88Å; W529-F534 HydrophobicContact CD2-CB 4.08Å; W529-F534 AromaticContact CD2-CD2 3.89Å; W529-F534 HydrophobicContact CD2-CD2 3.89Å; W529-F534 HydrophobicContact CD2-CG 4.44Å; W529-F534 AromaticContact CE2-CD2 3.6Å; W529-F534 HydrophobicContact CE3-CB 3.93Å; W529-F534 HydrophobicContact CG-CD2 4.09Å; W529-F534 HydrophobicContact CH2-CB 3.87Å; W529-F534 HydrophobicContact CZ2-CB 4.04Å; W529-F534 HydrophobicContact CZ2-CD2 4.09Å; W529-F534 HydrophobicContact CZ2-CG 4.24Å; W529-F534 HydrophobicContact CZ3-CB 3.82Å; W529-F534 AromaticContact NE1-CD2 3.6Å
530	V	88.3	Confident	90.5	Very high	21 Å²	21	32.2 Å²	32.2	13%	0.127	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	101.9	165	-174.8	0	0	0	0	106.9	L528 D532 C533 I535 Y566 L592	L528-V530 HydrophobicContact CD1-CG2 3.28Å; V530-D532 PolarHBondContact O-N 3.29Å; V530-C533 PolarHBondContact N-O 3.49Å; V530-C533 WeakPolarHBondContact O-CB 3.49Å; V530-C533 PolarHBondContact O-N 2.91Å; V530-I535 HydrophobicContact CB-CD1 4.34Å; V530-I535 HydrophobicContact CG2-CD1 3.55Å; V530-I535 HydrophobicContact CG2-CG1 4.39Å; V530-Y566 HydrophobicContact CB-CD1 4.3Å; V530-Y566 HydrophobicContact CG1-CD1 3.61Å; V530-Y566 HydrophobicContact CG1-CE1 3.63Å; V530-Y566 HydrophobicContact CG1-CG 4.45Å; V530-Y566 HydrophobicContact CG2-CD1 3.61Å; V530-Y566 HydrophobicContact CG2-CD2 4.45Å; V530-Y566 HydrophobicContact CG2-CE1 4.33Å; V530-Y566 HydrophobicContact CG2-CG 3.67Å; V530-L592 HydrophobicContact CB-CD1 4.25Å; V530-L592 HydrophobicContact CG1-CD1 3.99Å
531	G	83.8	Confident	90.3	Very high	46 Å²	46	33.1 Å²	33.1	47%	0.474	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-125.1	-166.5	0	0	0	0	0	110.4
532	D	86.6	Confident	90.5	Very high	34 Å²	34	29.8 Å²	29.8	18%	0.182	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	5.5	177.8	-58.5	-1.7	0	0	0	112.9	L476 W529 V530 T596 R600	L476-D532 HydrophobicContact CD1-CB 3.88Å; W529-D532 WeakPolarHBondContact CZ3-O 3.17Å; V530-D532 PolarHBondContact O-N 3.29Å; D532-T596 HydrophobicContact CB-CG2 3.64Å; D532-T596 VanDerWaalsContact OD2-CG2 3.3Å; D532-T596 WeakPolarHBondContact OD2-CG2 3.27Å; D532-R600 IonicContact OD1-CZ 3.41Å; D532-R600 IonicContact OD1-NH2 3.31Å; D532-R600 PolarHBondContact OD1-NH2 2.87Å; D532-R600 IonicContact OD2-CZ 3.41Å; D532-R600 IonicContact OD2-NE 2.74Å; D532-R600 PolarHBondContact OD2-NE 3.27Å; D532-R600 IonicContact OD2-NH2 3.62Å; D532-R600 PolarHBondContact OD2-NH2 2.76Å
533	C	89.6	Confident	90.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.5	179.1	-58.2	0	0	0	0	109.6	W529 V530 Y546 V547 L592 T596	W529-C533 WeakPolarHBondContact CA-O 3.42Å; V530-C533 PolarHBondContact N-O 3.49Å; V530-C533 WeakPolarHBondContact O-CB 3.49Å; V530-C533 PolarHBondContact O-N 2.91Å; C533-Y546 WeakPolarHBondContact CA-O 3.46Å; C533-V547 HydrophobicContact CB-CG2 3.95Å; C533-V547 WeakPolarHBondContact SG-CG2 3.41Å; C533-L592 HydrophobicContact CB-CD2 4.04Å; C533-T596 PolarHBondContact SG-OG1 3.4Å; C533-T596 VanDerWaalsContact SG-OG1 3.39Å
534	F	93.9	Very high	90.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107.5	176.1	-179.2	-113.7	0	0	0	110.2	F469 C478 F485 V524 W529 Y536 Y545 Y546	F469-F534 HydrophobicContact CB-CE2 3.83Å; F469-F534 AromaticContact CD2-CE2 3.9Å; F469-F534 HydrophobicContact CD2-CE2 3.9Å; F469-F534 AromaticContact CD2-CZ 3.75Å; F469-F534 HydrophobicContact CD2-CZ 3.75Å; F469-F534 HydrophobicContact CE2-CZ 4.3Å; F469-F534 AromaticContact CG-CE2 3.99Å; F469-F534 HydrophobicContact CG-CE2 3.99Å; F469-F534 HydrophobicContact CG-CZ 4.31Å; C478-F534 HydrophobicContact CB-CD1 4.42Å; C478-F534 HydrophobicContact CB-CD2 4.06Å; C478-F534 HydrophobicContact CB-CE1 4.2Å; C478-F534 HydrophobicContact CB-CE2 3.83Å; C478-F534 HydrophobicContact CB-CG 4.35Å; C478-F534 HydrophobicContact CB-CZ 3.89Å; C478-F534 WeakPolarHBondContact SG-CE1 3.23Å; C478-F534 WeakPolarHBondContact SG-CZ 3.43Å; F485-F534 HydrophobicContact CD2-CD1 4.44Å; F485-F534 HydrophobicContact CD2-CE1 4.29Å; F485-F534 AromaticContact CE2-CD1 3.97Å; F485-F534 HydrophobicContact CE2-CD1 3.97Å; F485-F534 HydrophobicContact CE2-CE1 4.18Å; V524-F534 HydrophobicContact CG1-CE1 4.43Å; V524-F534 HydrophobicContact CG1-CZ 4.29Å; V524-F534 HydrophobicContact CG2-CE1 4.27Å; W529-F534 AromaticContact CD1-CD2 3.88Å; W529-F534 HydrophobicContact CD2-CB 4.08Å; W529-F534 AromaticContact CD2-CD2 3.89Å; W529-F534 HydrophobicContact CD2-CD2 3.89Å; W529-F534 HydrophobicContact CD2-CG 4.44Å; W529-F534 AromaticContact CE2-CD2 3.6Å; W529-F534 HydrophobicContact CE3-CB 3.93Å; W529-F534 HydrophobicContact CG-CD2 4.09Å; W529-F534 HydrophobicContact CH2-CB 3.87Å; W529-F534 HydrophobicContact CZ2-CB 4.04Å; W529-F534 HydrophobicContact CZ2-CD2 4.09Å; W529-F534 HydrophobicContact CZ2-CG 4.24Å; W529-F534 HydrophobicContact CZ3-CB 3.82Å; W529-F534 AromaticContact NE1-CD2 3.6Å; F534-Y536 AromaticContact CD1-CD1 3.73Å; F534-Y536 HydrophobicContact CD1-CD1 3.73Å; F534-Y536 HydrophobicContact CD1-CE1 4.49Å; F534-Y536 HydrophobicContact CD1-CG 4.35Å; F534-Y536 AromaticContact CE1-CD1 3.83Å; F534-Y536 HydrophobicContact CE1-CD1 3.83Å; F534-Y536 AromaticContact CE1-CG 3.99Å; F534-Y536 HydrophobicContact CE1-CG 3.99Å; F534-Y545 CarbonylContact O-C 3.55Å; F534-Y545 VanDerWaalsContact O-CA 3.27Å; F534-Y545 WeakPolarHBondContact O-CA 3.3Å; F534-Y546 PolarHBondContact N-O 3.01Å; F534-Y546 PolarHBondContact O-N 3.12Å
535	I	94.8	Very high	90.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.3	178.6	-53.1	175	0	0	0	108.5	G527 L528 V530 L543 I554 L563 L573 L587	G527-I535 CarbonylContact C-O 3.56Å; G527-I535 WeakPolarHBondContact CA-O 3.26Å; L528-I535 HydrophobicContact CD1-CB 4.41Å; L528-I535 HydrophobicContact CD1-CD1 4.19Å; L528-I535 HydrophobicContact CG-CB 4.44Å; L528-I535 PolarHBondContact N-O 2.76Å; L528-I535 PolarHBondContact O-N 3.27Å; V530-I535 HydrophobicContact CB-CD1 4.34Å; V530-I535 HydrophobicContact CG2-CD1 3.55Å; V530-I535 HydrophobicContact CG2-CG1 4.39Å; I535-L543 HydrophobicContact CG2-CD1 3.94Å; I535-I554 HydrophobicContact CG2-CD1 4.45Å; I535-L563 HydrophobicContact CG2-CD2 4.34Å; I535-L573 HydrophobicContact CD1-CD1 4.39Å; I535-L573 HydrophobicContact CG2-CD1 4.37Å; I535-L573 HydrophobicContact CG2-CD2 3.98Å; I535-L587 HydrophobicContact CD1-CD2 3.4Å; I535-L587 HydrophobicContact CG1-CD2 4.29Å
536	Y	94.6	Very high	91.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159	-178.6	68.5	-85.8	0	0	0	113.9	F485 E522 V524 T526 F534 N544 I551	F485-Y536 HydrophobicContact CE1-CE1 4.14Å; F485-Y536 HydrophobicContact CE1-CE2 4.23Å; F485-Y536 AromaticContact CE1-CZ 3.83Å; F485-Y536 HydrophobicContact CZ-CD1 4.37Å; F485-Y536 AromaticContact CZ-CE1 3.75Å; F485-Y536 HydrophobicContact CZ-CE1 3.75Å; F485-Y536 AromaticContact CZ-CZ 3.91Å; E522-Y536 WeakPolarHBondContact OE2-CE2 3.42Å; E522-Y536 PolarHBondContact OE2-OH 2.7Å; E522-Y536 VanDerWaalsContact OE2-OH 3.07Å; V524-Y536 HydrophobicContact CB-CD2 4.48Å; V524-Y536 HydrophobicContact CG1-CD2 4.46Å; V524-Y536 HydrophobicContact CG1-CG 4.46Å; V524-Y536 HydrophobicContact CG2-CD2 3.76Å; V524-Y536 HydrophobicContact CG2-CE2 4.22Å; V524-Y536 HydrophobicContact CG2-CG 4.08Å; T526-Y536 CarbonylContact O-C 3.57Å; T526-Y536 WeakPolarHBondContact O-CA 3.46Å; T526-Y536 VanDerWaalsContact O-CB 3.31Å; T526-Y536 WeakPolarHBondContact O-CB 3.36Å; F534-Y536 AromaticContact CD1-CD1 3.73Å; F534-Y536 HydrophobicContact CD1-CD1 3.73Å; F534-Y536 HydrophobicContact CD1-CE1 4.49Å; F534-Y536 HydrophobicContact CD1-CG 4.35Å; F534-Y536 AromaticContact CE1-CD1 3.83Å; F534-Y536 HydrophobicContact CE1-CD1 3.83Å; F534-Y536 AromaticContact CE1-CG 3.99Å; F534-Y536 HydrophobicContact CE1-CG 3.99Å; Y536-N544 HydrophobicContact CD1-CB 4.41Å; Y536-N544 HydrophobicContact CD2-CB 4.49Å; Y536-N544 HydrophobicContact CE1-CB 3.86Å; Y536-N544 HydrophobicContact CE2-CB 3.95Å; Y536-N544 PolarHBondContact N-O 3.48Å; Y536-N544 PolarHBondContact O-N 2.88Å; Y536-I551 WeakPolarHBondContact OH-CG2 3.4Å
537	T	94.4	Very high	90.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	171.2	59.8	0	0	0	0	109.7	K525 T526 R542 L543 L575	K525-T537 PolarHBondContact N-O 2.78Å; T526-T537 PolarHBondContact N-OG1 3.45Å; T526-T537 PolarHBondContact O-N 3.35Å; T526-T537 PolarHBondContact O-OG1 3Å; T526-T537 PolarHBondContact OG1-OG1 2.84Å; T537-R542 CarbonylContact C-O 3.37Å; T537-R542 WeakPolarHBondContact CA-O 3.36Å; T537-L543 HydrophobicContact CG2-CD1 4.28Å; T537-L575 HydrophobicContact CG2-CD2 3.6Å
538	S	91.4	Very high	90.2	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	161.8	177.5	-176.4	0	0	0	0	112.2	I523 V540 N541 R542	I523-S538 WeakPolarHBondContact O-CA 3.2Å; S538-V540 PolarHBondContact O-N 2.79Å; S538-N541 PolarHBondContact O-N 3.18Å; S538-N541 VanDerWaalsContact O-N 3.14Å; S538-R542 PolarHBondContact N-O 2.95Å
539	S	85.7	Confident	89.7	Confident	47 Å²	47	24.6 Å²	24.6	33%	0.329	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.2	172.5	61.2	0	0	0	0	112.8	I523 K525 N541	I523-S539 PolarHBondContact O-N 3.11Å; K525-S539 PolarHBondContact NZ-O 3.12Å; S539-N541 PolarHBondContact O-N 2.96Å
540	V	87.4	Confident	89.3	Confident	98 Å²	98	25.6 Å²	25.6	59%	0.594	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	19	178.2	-156.6	0	0	0	0	112.5	S538 R542	S538-V540 PolarHBondContact O-N 2.79Å; V540-R542 VanDerWaalsContact C-N 3.27Å; V540-R542 PolarHBondContact O-N 3.1Å
541	N	88.9	Confident	89.4	Confident	38 Å²	38	27.4 Å²	27.4	20%	0.203	18%	0.176	C	C	.	.	S	Bend	trans	56	39.5	178.9	-57.1	-22.9	0	0	0	113.1	K525 S538 S539 L557 T560	K525-N541 PolarHBondContact NZ-OD1 3.07Å; S538-N541 PolarHBondContact O-N 3.18Å; S538-N541 VanDerWaalsContact O-N 3.14Å; S539-N541 PolarHBondContact O-N 2.96Å; N541-L557 HydrophobicContact CB-CB 4.18Å; N541-L557 VanDerWaalsContact CB-O 3.29Å; N541-L557 WeakPolarHBondContact CB-O 3.39Å; N541-L557 WeakPolarHBondContact O-CA 3.36Å; N541-L557 WeakPolarHBondContact O-CB 3.46Å; N541-L557 WeakPolarHBondContact O-CG 2.79Å; N541-L557 PolarHBondContact O-N 3.18Å; N541-T560 WeakPolarHBondContact OD1-CG2 3.36Å
542	R	92.8	Very high	89.6	Confident	101 Å²	101	26.6 Å²	26.6	38%	0.381	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.9	170.2	-61.8	-177.3	-177.2	178.1	-2.7	109.4	T537 S538 V540	T537-R542 CarbonylContact C-O 3.37Å; T537-R542 WeakPolarHBondContact CA-O 3.36Å; S538-R542 PolarHBondContact N-O 2.95Å; V540-R542 VanDerWaalsContact C-N 3.27Å; V540-R542 PolarHBondContact O-N 3.1Å
543	L	94.1	Very high	89.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.6	168.5	176.1	63.6	0	0	0	108	I535 T537 I554 A555 L557 L563 L573 L575 Y585	I535-L543 HydrophobicContact CG2-CD1 3.94Å; T537-L543 HydrophobicContact CG2-CD1 4.28Å; L543-I554 HydrophobicContact CB-CB 4.46Å; L543-I554 HydrophobicContact CD2-CB 3.9Å; L543-I554 HydrophobicContact CD2-CD1 4.08Å; L543-I554 HydrophobicContact CD2-CG2 3.93Å; L543-I554 HydrophobicContact CG-CB 3.95Å; L543-I554 HydrophobicContact CG-CD1 4.02Å; L543-I554 HydrophobicContact CG-CG1 4.32Å; L543-I554 PolarHBondContact O-N 3.15Å; L543-A555 PolarHBondContact N-O 3.12Å; L543-A555 PolarHBondContact O-N 3.13Å; L543-L557 HydrophobicContact CB-CD1 4.33Å; L543-L557 HydrophobicContact CB-CD2 4.43Å; L543-L557 HydrophobicContact CB-CG 4.45Å; L543-L563 HydrophobicContact CD1-CD1 4.34Å; L543-L573 HydrophobicContact CD1-CD2 3.57Å; L543-L573 HydrophobicContact CD2-CD2 3.51Å; L543-L573 HydrophobicContact CG-CD2 4.11Å; L543-L575 HydrophobicContact CD1-CD2 4.35Å; L543-L575 HydrophobicContact CD2-CD1 4.33Å; L543-Y585 HydrophobicContact CD2-CD2 3.92Å; L543-Y585 HydrophobicContact CD2-CG 4.03Å
544	N	93.9	Very high	89.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158.6	-176.7	-69.7	-21.4	0	0	0	109.8	E522 Y536 I551 V552 T553	E522-N544 PolarHBondContact OE2-ND2 2.7Å; E522-N544 VanDerWaalsContact OE2-ND2 3.1Å; Y536-N544 HydrophobicContact CD1-CB 4.41Å; Y536-N544 HydrophobicContact CD2-CB 4.49Å; Y536-N544 HydrophobicContact CE1-CB 3.86Å; Y536-N544 HydrophobicContact CE2-CB 3.95Å; Y536-N544 PolarHBondContact N-O 3.48Å; Y536-N544 PolarHBondContact O-N 2.88Å; N544-I551 HydrophobicContact CB-CG2 3.87Å; N544-V552 CarbonylContact C-O 3.54Å; N544-V552 WeakPolarHBondContact CA-O 3.29Å; N544-T553 VanDerWaalsContact OD1-CA 3.28Å; N544-T553 WeakPolarHBondContact OD1-CA 3.17Å; N544-T553 VanDerWaalsContact OD1-CB 3.32Å; N544-T553 WeakPolarHBondContact OD1-CB 3.41Å; N544-T553 WeakPolarHBondContact OD1-CG2 3.41Å; N544-T553 PolarHBondContact OD1-OG1 2.92Å
545	Y	93.1	Very high	89.7	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.9	162.2	74.1	-88.3	0	0	0	110.3	F534 V547 V552 I554 L587 L592 Q595	F534-Y545 CarbonylContact O-C 3.55Å; F534-Y545 VanDerWaalsContact O-CA 3.27Å; F534-Y545 WeakPolarHBondContact O-CA 3.3Å; Y545-V547 HydrophobicContact CD2-CG2 3.63Å; Y545-V547 HydrophobicContact CE2-CG2 3.6Å; Y545-V552 HydrophobicContact CD1-CB 4.09Å; Y545-V552 WeakPolarHBondContact CD1-O 3.48Å; Y545-V552 HydrophobicContact CE1-CB 3.56Å; Y545-V552 HydrophobicContact CE1-CG1 3.87Å; Y545-V552 HydrophobicContact CE1-CG2 4.35Å; Y545-V552 HydrophobicContact CE2-CB 4.17Å; Y545-V552 HydrophobicContact CE2-CG2 4.14Å; Y545-V552 PolarHBondContact N-O 3.29Å; Y545-V552 PolarHBondContact O-N 3.26Å; Y545-I554 HydrophobicContact CD1-CD1 3.8Å; Y545-I554 HydrophobicContact CD1-CG1 3.58Å; Y545-I554 HydrophobicContact CE1-CG1 4.13Å; Y545-L587 HydrophobicContact CE1-CD1 4.49Å; Y545-L592 HydrophobicContact CD2-CD2 4.09Å; Y545-L592 HydrophobicContact CE2-CD2 4.02Å; Y545-Q595 PolarHBondContact OH-NE2 2.87Å; Y545-Q595 VanDerWaalsContact OH-NE2 3.16Å; Y545-Q595 PolarHBondContact OH-OE1 3.38Å
546	Y	91.3	Very high	89.5	Confident	15 Å²	15	35.9 Å²	35.9	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.1	-180	170	-88.8	0	0	0	110.4	I487 I520 C533 F534 G549 E550 I551	I487-Y546 HydrophobicContact CD1-CD1 3.09Å; I487-Y546 HydrophobicContact CD1-CD2 4.29Å; I487-Y546 HydrophobicContact CD1-CE1 3.01Å; I487-Y546 HydrophobicContact CD1-CE2 4.21Å; I487-Y546 HydrophobicContact CD1-CG 3.74Å; I487-Y546 HydrophobicContact CG1-CE1 4.38Å; I520-Y546 HydrophobicContact CD1-CD2 3.35Å; I520-Y546 HydrophobicContact CD1-CE2 3.24Å; I520-Y546 HydrophobicContact CD1-CG 4.13Å; I520-Y546 HydrophobicContact CG1-CD2 4.34Å; I520-Y546 HydrophobicContact CG1-CE2 4.15Å; C533-Y546 WeakPolarHBondContact CA-O 3.46Å; F534-Y546 PolarHBondContact N-O 3.01Å; F534-Y546 PolarHBondContact O-N 3.12Å; Y546-G549 VanDerWaalsContact CE2-N 3.26Å; Y546-G549 WeakPolarHBondContact OH-CA 3.33Å; Y546-G549 PolarHBondContact OH-N 3.15Å; Y546-E550 VanDerWaalsContact CA-O 3.32Å; Y546-E550 WeakPolarHBondContact CA-O 3.49Å; Y546-E550 WeakPolarHBondContact CD2-O 3.35Å; Y546-I551 HydrophobicContact CD2-CG1 4.4Å
547	V	87.5	Confident	89.2	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	119.6	171.7	-179.2	0	0	0	0	109.3	C533 Y545 G549 E550 Q595 M599 F624	C533-V547 HydrophobicContact CB-CG2 3.95Å; C533-V547 WeakPolarHBondContact SG-CG2 3.41Å; Y545-V547 HydrophobicContact CD2-CG2 3.63Å; Y545-V547 HydrophobicContact CE2-CG2 3.6Å; V547-G549 VanDerWaalsContact C-N 3.3Å; V547-G549 PolarHBondContact O-N 3.42Å; V547-G549 VanDerWaalsContact O-N 3.15Å; V547-E550 PolarHBondContact N-O 3.17Å; V547-E550 PolarHBondContact O-N 3.27Å; V547-Q595 HydrophobicContact CG1-CB 4.19Å; V547-M599 HydrophobicContact CG1-CG 3.63Å; V547-F624 HydrophobicContact CB-CE2 4.47Å; V547-F624 HydrophobicContact CG1-CE2 4.31Å; V547-F624 HydrophobicContact CG1-CZ 4.02Å
548	G	78.6	Confident	88.6	Confident	41 Å²	41	44.6 Å²	44.6	42%	0.423	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	34.2	165.3	0	0	0	0	0	116.2
549	G	81.7	Confident	88.1	Confident	51 Å²	51	48.6 Å²	48.6	53%	0.526	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-15.2	-179.4	0	0	0	0	0	113.6	Y546 V547	Y546-G549 VanDerWaalsContact CE2-N 3.26Å; Y546-G549 WeakPolarHBondContact OH-CA 3.33Å; Y546-G549 PolarHBondContact OH-N 3.15Å; V547-G549 VanDerWaalsContact C-N 3.3Å; V547-G549 PolarHBondContact O-N 3.42Å; V547-G549 VanDerWaalsContact O-N 3.15Å
550	E	83.8	Confident	88.1	Confident	33 Å²	33	49.2 Å²	49.2	15%	0.154	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	146	-178.9	-72.1	-170.7	-155.1	0	0	112.7	Y546 V547 K627 Q628	Y546-E550 VanDerWaalsContact CA-O 3.32Å; Y546-E550 WeakPolarHBondContact CA-O 3.49Å; Y546-E550 WeakPolarHBondContact CD2-O 3.35Å; V547-E550 PolarHBondContact N-O 3.17Å; V547-E550 PolarHBondContact O-N 3.27Å; E550-K627 WeakPolarHBondContact OE1-CB 3.32Å; E550-K627 WeakPolarHBondContact OE2-CD 3.15Å; E550-Q628 VanDerWaalsContact CD-NE2 3.31Å; E550-Q628 PolarHBondContact OE1-NE2 3.21Å
551	I	89.1	Confident	88.1	Confident	59 Å²	59	45.2 Å²	45.2	30%	0.303	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.8	174	-54.3	167.2	0	0	0	107.8	I520 Y536 N544 Y546	I520-I551 HydrophobicContact CG2-CD1 3.4Å; I520-I551 HydrophobicContact CG2-CG1 4.34Å; Y536-I551 WeakPolarHBondContact OH-CG2 3.4Å; N544-I551 HydrophobicContact CB-CG2 3.87Å; Y546-I551 HydrophobicContact CD2-CG1 4.4Å
552	V	89	Confident	88.2	Confident	29 Å²	29	44.8 Å²	44.8	18%	0.176	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.9	176.7	-165.6	0	0	0	0	109	N544 Y545	N544-V552 CarbonylContact C-O 3.54Å; N544-V552 WeakPolarHBondContact CA-O 3.29Å; Y545-V552 HydrophobicContact CD1-CB 4.09Å; Y545-V552 WeakPolarHBondContact CD1-O 3.48Å; Y545-V552 HydrophobicContact CE1-CB 3.56Å; Y545-V552 HydrophobicContact CE1-CG1 3.87Å; Y545-V552 HydrophobicContact CE1-CG2 4.35Å; Y545-V552 HydrophobicContact CE2-CB 4.17Å; Y545-V552 HydrophobicContact CE2-CG2 4.14Å; Y545-V552 PolarHBondContact N-O 3.29Å; Y545-V552 PolarHBondContact O-N 3.26Å
553	T	91.4	Very high	88.2	Confident	53 Å²	53	41 Å²	41	33%	0.325	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.3	175.5	-57.2	0	0	0	0	110.5	N544 R620	N544-T553 VanDerWaalsContact OD1-CA 3.28Å; N544-T553 WeakPolarHBondContact OD1-CA 3.17Å; N544-T553 VanDerWaalsContact OD1-CB 3.32Å; N544-T553 WeakPolarHBondContact OD1-CB 3.41Å; N544-T553 WeakPolarHBondContact OD1-CG2 3.41Å; N544-T553 PolarHBondContact OD1-OG1 2.92Å; T553-R620 PolarHBondContact O-NH2 3.23Å
554	I	90.2	Very high	88	Confident	34 Å²	34	42.2 Å²	42.2	17%	0.174	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-53.3	172.6	-55.1	-179.6	0	0	0	109	I535 L543 Y545 L587	I535-I554 HydrophobicContact CG2-CD1 4.45Å; L543-I554 HydrophobicContact CB-CB 4.46Å; L543-I554 HydrophobicContact CD2-CB 3.9Å; L543-I554 HydrophobicContact CD2-CD1 4.08Å; L543-I554 HydrophobicContact CD2-CG2 3.93Å; L543-I554 HydrophobicContact CG-CB 3.95Å; L543-I554 HydrophobicContact CG-CD1 4.02Å; L543-I554 HydrophobicContact CG-CG1 4.32Å; L543-I554 PolarHBondContact O-N 3.15Å; Y545-I554 HydrophobicContact CD1-CD1 3.8Å; Y545-I554 HydrophobicContact CD1-CG1 3.58Å; Y545-I554 HydrophobicContact CE1-CG1 4.13Å; I554-L587 HydrophobicContact CD1-CD1 4.07Å; I554-L587 HydrophobicContact CD1-CD2 3.92Å
555	A	90.9	Very high	87.7	Confident	16 Å²	16	42.8 Å²	42.8	13%	0.132	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	154.9	-175.9	0	0	0	0	0	112.4	L543 L557 Y585	L543-A555 PolarHBondContact N-O 3.12Å; L543-A555 PolarHBondContact O-N 3.13Å; A555-L557 HydrophobicContact CB-CD2 4.5Å; A555-Y585 HydrophobicContact CB-CD1 3.78Å; A555-Y585 HydrophobicContact CB-CE1 3.42Å; A555-Y585 VanDerWaalsContact CB-CE1 3.42Å
556	H	90.8	Very high	87.6	Confident	127 Å²	127	44 Å²	44	59%	0.588	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	131	165.3	-64.2	-82.8	0	0	0	108.7
557	L	87.8	Confident	87.5	Confident	15 Å²	15	43.8 Å²	43.8	8%	0.079	25%	0.249	C	C	.	.			trans	-106.8	133.7	-176.3	-46.4	171.7	0	0	0	109.5	N541 L543 A555 R559 M561 L575 Y585	N541-L557 HydrophobicContact CB-CB 4.18Å; N541-L557 VanDerWaalsContact CB-O 3.29Å; N541-L557 WeakPolarHBondContact CB-O 3.39Å; N541-L557 WeakPolarHBondContact O-CA 3.36Å; N541-L557 WeakPolarHBondContact O-CB 3.46Å; N541-L557 WeakPolarHBondContact O-CG 2.79Å; N541-L557 PolarHBondContact O-N 3.18Å; L543-L557 HydrophobicContact CB-CD1 4.33Å; L543-L557 HydrophobicContact CB-CD2 4.43Å; L543-L557 HydrophobicContact CB-CG 4.45Å; A555-L557 HydrophobicContact CB-CD2 4.5Å; L557-R559 PolarHBondContact O-N 3.14Å; L557-M561 HydrophobicContact CD1-CB 3.87Å; L557-M561 HydrophobicContact CD1-CG 3.97Å; L557-L575 HydrophobicContact CD1-CD2 4.49Å; L557-Y585 HydrophobicContact CD2-CE2 3.59Å; L557-Y585 WeakPolarHBondContact CD2-OH 3.44Å
558	D	81.8	Confident	87.4	Confident	169 Å²	169	47.3 Å²	47.3	90%	0.904	27%	0.272	S	S	*	.	S	Bend	trans	-72.6	-19.7	179.5	-57.7	-29.8	0	0	0	113
559	R	81.6	Confident	87.7	Confident	90 Å²	90	53.8 Å²	53.8	34%	0.34	29%	0.288	S	S	.	.	S	Bend	trans	-136.7	163.4	-176.5	66.7	-177.3	74.3	-156.2	-12.1	111	R340 L557 M561 D577 E579	R340-R559 VanDerWaalsContact NH2-NH2 3.14Å; L557-R559 PolarHBondContact O-N 3.14Å; R559-M561 VanDerWaalsContact CD-CE 3.5Å; R559-M561 HydrophobicContact CG-CE 3.52Å; R559-M561 HydrophobicContact CG-CG 4.17Å; R559-M561 HydrophobicContact CG-SD 3.87Å; R559-M561 PolarHBondContact O-N 3.07Å; R559-M561 VanDerWaalsContact O-N 3.12Å; R559-D577 WeakPolarHBondContact CD-OD2 3.32Å; R559-D577 IonicContact CZ-OD2 3.25Å; R559-D577 IonicContact NE-OD2 3.58Å; R559-D577 IonicContact NH1-OD2 2.72Å; R559-D577 PolarHBondContact NH1-OD2 3.07Å; R559-E579 IonicContact NH1-OE2 2.89Å
560	T	84.3	Confident	87.8	Confident	60 Å²	60	54.9 Å²	54.9	37%	0.368	28%	0.282	S	S	.	.			trans	-67	111.3	172.6	58.5	0	0	0	0	109.7	N541	N541-T560 WeakPolarHBondContact OD1-CG2 3.36Å
561	M	88.2	Confident	87.9	Confident	13 Å²	13	55.7 Å²	55.7	6%	0.064	29%	0.287	C	S	.	.			trans	-109.2	149.3	174.3	-61.3	-68.5	-162.9	0	0	110.2	L557 R559 L575 D577 V583	L557-M561 HydrophobicContact CD1-CB 3.87Å; L557-M561 HydrophobicContact CD1-CG 3.97Å; R559-M561 VanDerWaalsContact CD-CE 3.5Å; R559-M561 HydrophobicContact CG-CE 3.52Å; R559-M561 HydrophobicContact CG-CG 4.17Å; R559-M561 HydrophobicContact CG-SD 3.87Å; R559-M561 PolarHBondContact O-N 3.07Å; R559-M561 VanDerWaalsContact O-N 3.12Å; M561-L575 HydrophobicContact CB-CB 3.95Å; M561-L575 HydrophobicContact CB-CD2 3.86Å; M561-D577 HydrophobicContact CE-CB 4.44Å; M561-D577 HydrophobicContact SD-CB 3.6Å; M561-D577 VanDerWaalsContact SD-CB 3.6Å; M561-V583 HydrophobicContact CE-CB 4.18Å; M561-V583 HydrophobicContact CE-CG2 3.59Å
562	Y	90.9	Very high	87.9	Confident	29 Å²	29	54.9 Å²	54.9	11%	0.114	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.2	177.3	-63.2	-91.6	0	0	0	109.2	E302 E303 P304 T526 L564 L575 G576	E302-Y562 PolarHBondContact O-OH 3.25Å; E303-Y562 HydrophobicContact CB-CE1 4.26Å; E303-Y562 HydrophobicContact CG-CD1 4.21Å; E303-Y562 HydrophobicContact CG-CE1 3.52Å; P304-Y562 HydrophobicContact CG-CD2 3.64Å; P304-Y562 HydrophobicContact CG-CE2 4.14Å; P304-Y562 HydrophobicContact CG-CG 4.02Å; T526-Y562 HydrophobicContact CG2-CD1 3.6Å; T526-Y562 HydrophobicContact CG2-CE1 4.48Å; T526-Y562 HydrophobicContact CG2-CG 4.39Å; Y562-L564 PolarHBondContact O-N 2.98Å; Y562-L575 CarbonylContact O-C 3.56Å; Y562-L575 VanDerWaalsContact O-CA 3.23Å; Y562-L575 WeakPolarHBondContact O-CA 3.46Å; Y562-L575 WeakPolarHBondContact O-CB 3.06Å; Y562-G576 PolarHBondContact N-O 3.41Å; Y562-G576 PolarHBondContact O-N 2.85Å
563	L	92.3	Very high	88.1	Confident	23 Å²	23	53.5 Å²	53.5	12%	0.12	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.3	-178.3	-158.7	67.2	0	0	0	110.3	T526 L528 I535 L543 L573 L575	T526-L563 VanDerWaalsContact OG1-CB 3.28Å; T526-L563 WeakPolarHBondContact OG1-CB 3.48Å; T526-L563 PolarHBondContact OG1-N 3.44Å; L528-L563 HydrophobicContact CB-CD2 3.95Å; L528-L563 HydrophobicContact CD2-CD1 4.35Å; L528-L563 HydrophobicContact CD2-CD2 3.39Å; L528-L563 HydrophobicContact CD2-CG 3.57Å; L528-L563 HydrophobicContact CG-CD2 3.41Å; L528-L563 VanDerWaalsContact CG-CD2 3.41Å; L528-L563 HydrophobicContact CG-CG 4.19Å; I535-L563 HydrophobicContact CG2-CD2 4.34Å; L543-L563 HydrophobicContact CD1-CD1 4.34Å; L563-L573 HydrophobicContact CD1-CD1 3.44Å; L563-L573 VanDerWaalsContact CD1-CD1 3.44Å; L563-L573 HydrophobicContact CD1-CD2 3.51Å; L563-L573 HydrophobicContact CD1-CG 3.64Å; L563-L573 HydrophobicContact CG-CD1 4.18Å; L563-L575 HydrophobicContact CD1-CD2 3.79Å; L563-L575 HydrophobicContact CD1-CG 3.95Å
564	L	90	Very high	88.1	Confident	24 Å²	24	51.3 Å²	51.3	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-43.9	179.2	-77.6	175.1	0	0	0	112	M306 M308 I314 Y562 Y574 I582	M306-L564 HydrophobicContact CB-CD2 4.14Å; M306-L564 HydrophobicContact CG-CD2 3.65Å; M306-L564 HydrophobicContact SD-CD1 4.1Å; M306-L564 HydrophobicContact SD-CD2 3.47Å; M306-L564 WeakPolarHBondContact SD-CD2 3.34Å; M306-L564 HydrophobicContact SD-CG 3.96Å; M308-L564 HydrophobicContact CB-CB 4.09Å; M308-L564 HydrophobicContact CE-CB 4.28Å; M308-L564 HydrophobicContact SD-CB 4.41Å; I314-L564 HydrophobicContact CD1-CD1 4.11Å; I314-L564 HydrophobicContact CG2-CD1 4.2Å; Y562-L564 PolarHBondContact O-N 2.98Å; L564-Y574 WeakPolarHBondContact CB-O 3.44Å; L564-Y574 PolarHBondContact N-O 2.88Å; L564-I582 HydrophobicContact CD1-CD1 4.47Å; L564-I582 HydrophobicContact CD1-CG1 4.15Å
565	G	88.5	Confident	88.2	Confident	12 Å²	12	49.7 Å²	49.7	12%	0.124	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	172.8	-179	0	0	0	0	0	112.8	M308 L528 Y574	M308-G565 VanDerWaalsContact CE-C 3.44Å; L528-G565 VanDerWaalsContact CD2-CA 3.47Å; G565-Y574 PolarHBondContact N-O 2.95Å; G565-Y574 PolarHBondContact O-N 2.89Å
566	Y	90.3	Very high	88.1	Confident	26 Å²	26	48.9 Å²	48.9	10%	0.102	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.7	177.4	178.9	-104.7	0	0	0	109.8	V530 P568 R572 L573 L587 V589	V530-Y566 HydrophobicContact CB-CD1 4.3Å; V530-Y566 HydrophobicContact CG1-CD1 3.61Å; V530-Y566 HydrophobicContact CG1-CE1 3.63Å; V530-Y566 HydrophobicContact CG1-CG 4.45Å; V530-Y566 HydrophobicContact CG2-CD1 3.61Å; V530-Y566 HydrophobicContact CG2-CD2 4.45Å; V530-Y566 HydrophobicContact CG2-CE1 4.33Å; V530-Y566 HydrophobicContact CG2-CG 3.67Å; Y566-P568 HydrophobicContact CD1-CG 4Å; Y566-P568 HydrophobicContact CE1-CB 4.19Å; Y566-P568 HydrophobicContact CE1-CG 3.91Å; Y566-R572 VanDerWaalsContact CD2-O 3.26Å; Y566-R572 WeakPolarHBondContact CD2-O 3.38Å; Y566-L573 HydrophobicContact CD2-CB 4.24Å; Y566-L573 HydrophobicContact CD2-CD1 4.39Å; Y566-L587 HydrophobicContact CE2-CB 4.15Å; Y566-L587 HydrophobicContact CE2-CD2 4.46Å; Y566-L587 WeakPolarHBondContact CE2-O 3.47Å; Y566-L587 PolarHBondContact OH-O 3.43Å; Y566-V589 HydrophobicContact CE1-CG2 3.81Å; Y566-V589 WeakPolarHBondContact OH-CG2 3.1Å; Y566-V589 PolarHBondContact OH-N 2.86Å
567	I	89.3	Confident	88	Confident	11 Å²	11	43.1 Å²	43.1	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107.3	176.1	-58	-176.4	0	0	0	108.4	M308 L327 K569 D570 N571 R572 Y574	M308-I567 HydrophobicContact CE-CG1 4.38Å; L327-I567 HydrophobicContact CD1-CD1 3.75Å; I567-K569 HydrophobicContact CG2-CB 4.13Å; I567-K569 PolarHBondContact O-N 3.41Å; I567-D570 HydrophobicContact CB-CB 4.44Å; I567-D570 HydrophobicContact CG2-CB 4.33Å; I567-D570 PolarHBondContact O-N 2.77Å; I567-D570 VanDerWaalsContact O-N 3.17Å; I567-N571 PolarHBondContact O-N 3.1Å; I567-R572 PolarHBondContact N-O 2.95Å; I567-Y574 HydrophobicContact CB-CE2 4.03Å; I567-Y574 HydrophobicContact CD1-CD2 4.07Å; I567-Y574 HydrophobicContact CD1-CE2 3.54Å; I567-Y574 HydrophobicContact CG1-CD2 4.07Å; I567-Y574 HydrophobicContact CG1-CE2 3.73Å
568	P	85.9	Confident	87.7	Confident	79 Å²	79	44.2 Å²	44.2	51%	0.513	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.2	-179.3	-27.4	34.9	0	0	0	114.1	Y566 D570 N571 V589	Y566-P568 HydrophobicContact CD1-CG 4Å; Y566-P568 HydrophobicContact CE1-CB 4.19Å; Y566-P568 HydrophobicContact CE1-CG 3.91Å; P568-D570 VanDerWaalsContact C-N 3.31Å; P568-D570 PolarHBondContact O-N 3Å; P568-N571 PolarHBondContact O-N 3.28Å; P568-V589 HydrophobicContact CB-CG2 3.88Å
569	K	84.3	Confident	87.7	Confident	176 Å²	176	41.7 Å²	41.7	77%	0.765	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.3	179.5	-65.2	-176.2	178.9	-179.3	0	112.7	I567	I567-K569 HydrophobicContact CG2-CB 4.13Å; I567-K569 PolarHBondContact O-N 3.41Å
570	D	82.8	Confident	87.8	Confident	74 Å²	74	38.9 Å²	38.9	40%	0.396	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-7.8	-176.2	-54.3	-12.4	0	0	0	111.1	I567 P568 R572 Y574	I567-D570 HydrophobicContact CB-CB 4.44Å; I567-D570 HydrophobicContact CG2-CB 4.33Å; I567-D570 PolarHBondContact O-N 2.77Å; I567-D570 VanDerWaalsContact O-N 3.17Å; P568-D570 VanDerWaalsContact C-N 3.31Å; P568-D570 PolarHBondContact O-N 3Å; D570-R572 HydrophobicContact CB-CB 4.16Å; D570-R572 WeakPolarHBondContact O-CG 3.36Å; D570-R572 PolarHBondContact O-N 3.41Å; D570-Y574 PolarHBondContact OD2-OH 3.46Å
571	N	87.4	Confident	87.9	Confident	50 Å²	50	37.7 Å²	37.7	27%	0.267	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	39.3	-168.8	-68.7	-65.1	0	0	0	112.2	I567 P568 L587 L588 V589	I567-N571 PolarHBondContact O-N 3.1Å; P568-N571 PolarHBondContact O-N 3.28Å; N571-L587 CarbonylContact C-O 3.51Å; N571-L587 VanDerWaalsContact C-O 3.31Å; N571-L587 CarbonylContact O-C 3.51Å; N571-L587 PolarHBondContact O-N 3.48Å; N571-L588 HydrophobicContact CB-CD2 3.99Å; N571-V589 WeakPolarHBondContact OD1-CG2 3.15Å; N571-V589 PolarHBondContact OD1-N 2.99Å
572	R	89.1	Confident	88	Confident	42 Å²	42	37.2 Å²	37.2	16%	0.158	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.9	-173	-80.2	178.6	-179.2	-96.7	-7.2	112.7	I335 D337 Y566 I567 D570 Y574 S584 Y585	I335-R572 VanDerWaalsContact CG2-NH1 3.3Å; I335-R572 PolarHBondContact O-NH1 2.81Å; I335-R572 PolarHBondContact O-NH2 3.21Å; D337-R572 IonicContact OD1-CZ 3.49Å; D337-R572 IonicContact OD1-NH1 2.61Å; D337-R572 PolarHBondContact OD1-NH1 2.82Å; D337-R572 VanDerWaalsContact OD1-NH1 3.15Å; D337-R572 IonicContact OD1-NH2 3.72Å; Y566-R572 VanDerWaalsContact CD2-O 3.26Å; Y566-R572 WeakPolarHBondContact CD2-O 3.38Å; I567-R572 PolarHBondContact N-O 2.95Å; D570-R572 HydrophobicContact CB-CB 4.16Å; D570-R572 WeakPolarHBondContact O-CG 3.36Å; D570-R572 PolarHBondContact O-N 3.41Å; R572-Y574 HydrophobicContact CB-CE2 4.15Å; R572-S584 PolarHBondContact NH1-OG 3.36Å; R572-Y585 WeakPolarHBondContact CA-O 3.4Å
573	L	91.7	Very high	88	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.7	171.3	-178.1	75.9	0	0	0	109.4	L528 I535 L543 L563 Y566 L575 S584 Y585	L528-L573 HydrophobicContact CD2-CD1 3.89Å; I535-L573 HydrophobicContact CD1-CD1 4.39Å; I535-L573 HydrophobicContact CG2-CD1 4.37Å; I535-L573 HydrophobicContact CG2-CD2 3.98Å; L543-L573 HydrophobicContact CD1-CD2 3.57Å; L543-L573 HydrophobicContact CD2-CD2 3.51Å; L543-L573 HydrophobicContact CG-CD2 4.11Å; L563-L573 HydrophobicContact CD1-CD1 3.44Å; L563-L573 VanDerWaalsContact CD1-CD1 3.44Å; L563-L573 HydrophobicContact CD1-CD2 3.51Å; L563-L573 HydrophobicContact CD1-CG 3.64Å; L563-L573 HydrophobicContact CG-CD1 4.18Å; Y566-L573 HydrophobicContact CD2-CB 4.24Å; Y566-L573 HydrophobicContact CD2-CD1 4.39Å; L573-L575 HydrophobicContact CD2-CD1 4.12Å; L573-L575 HydrophobicContact CG-CD1 4.45Å; L573-S584 CarbonylContact O-C 3.58Å; L573-S584 WeakPolarHBondContact O-CA 3.48Å; L573-S584 WeakPolarHBondContact O-CB 3.48Å; L573-Y585 PolarHBondContact N-O 3.26Å; L573-Y585 PolarHBondContact O-N 3.44Å
574	Y	91.8	Very high	87.9	Confident	7 Å²	7	34.9 Å²	34.9	3%	0.027	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.2	178.2	-62.1	-87.7	0	0	0	110.6	M308 L327 L341 L564 G565 I567 D570 R572 I582 V583	M308-Y574 HydrophobicContact CE-CD2 4.21Å; M308-Y574 HydrophobicContact SD-CD2 4.41Å; M308-Y574 HydrophobicContact SD-CG 4.49Å; L327-Y574 HydrophobicContact CD1-CD1 3.8Å; L327-Y574 HydrophobicContact CD1-CD2 3.86Å; L327-Y574 HydrophobicContact CD1-CE1 3.73Å; L327-Y574 HydrophobicContact CD1-CE2 3.81Å; L327-Y574 HydrophobicContact CD1-CG 3.85Å; L327-Y574 HydrophobicContact CD2-CD1 4.03Å; L327-Y574 HydrophobicContact CD2-CE1 3.84Å; L327-Y574 HydrophobicContact CG-CE1 4.36Å; L341-Y574 HydrophobicContact CD1-CD1 3.82Å; L341-Y574 HydrophobicContact CD1-CE1 3.69Å; L564-Y574 WeakPolarHBondContact CB-O 3.44Å; L564-Y574 PolarHBondContact N-O 2.88Å; G565-Y574 PolarHBondContact N-O 2.95Å; G565-Y574 PolarHBondContact O-N 2.89Å; I567-Y574 HydrophobicContact CB-CE2 4.03Å; I567-Y574 HydrophobicContact CD1-CD2 4.07Å; I567-Y574 HydrophobicContact CD1-CE2 3.54Å; I567-Y574 HydrophobicContact CG1-CD2 4.07Å; I567-Y574 HydrophobicContact CG1-CE2 3.73Å; D570-Y574 PolarHBondContact OD2-OH 3.46Å; R572-Y574 HydrophobicContact CB-CE2 4.15Å; Y574-I582 HydrophobicContact CD1-CG2 4.3Å; Y574-V583 WeakPolarHBondContact CA-O 3.25Å
575	L	91.8	Very high	87.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.8	174.2	-54.1	104.9	0	0	0	110.4	T537 L543 L557 M561 Y562 L563 L573 I582 V583 Y585	T537-L575 HydrophobicContact CG2-CD2 3.6Å; L543-L575 HydrophobicContact CD1-CD2 4.35Å; L543-L575 HydrophobicContact CD2-CD1 4.33Å; L557-L575 HydrophobicContact CD1-CD2 4.49Å; M561-L575 HydrophobicContact CB-CB 3.95Å; M561-L575 HydrophobicContact CB-CD2 3.86Å; Y562-L575 CarbonylContact O-C 3.56Å; Y562-L575 VanDerWaalsContact O-CA 3.23Å; Y562-L575 WeakPolarHBondContact O-CA 3.46Å; Y562-L575 WeakPolarHBondContact O-CB 3.06Å; L563-L575 HydrophobicContact CD1-CD2 3.79Å; L563-L575 HydrophobicContact CD1-CG 3.95Å; L573-L575 HydrophobicContact CD2-CD1 4.12Å; L573-L575 HydrophobicContact CG-CD1 4.45Å; L575-I582 CarbonylContact O-C 3.56Å; L575-I582 VanDerWaalsContact O-CA 3.29Å; L575-I582 WeakPolarHBondContact O-CA 3.31Å; L575-V583 PolarHBondContact N-O 3.04Å; L575-V583 PolarHBondContact O-N 3.45Å; L575-Y585 HydrophobicContact CD1-CD2 3.4Å; L575-Y585 VanDerWaalsContact CD1-CD2 3.4Å; L575-Y585 HydrophobicContact CD1-CE2 3.73Å
576	G	90.5	Very high	88	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.6	173.1	0	0	0	0	0	111.7	Y562 N581	Y562-G576 PolarHBondContact N-O 3.41Å; Y562-G576 PolarHBondContact O-N 2.85Å; G576-N581 WeakPolarHBondContact CA-O 3.34Å
577	D	87.7	Confident	87.9	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.027	18%	0.179	C	C	.	.			trans	-90.5	175.8	166.1	70.3	14.7	0	0	0	111.8	M306 R559 M561 E579 L580 N581	M306-D577 WeakPolarHBondContact CE-O 3.4Å; R559-D577 WeakPolarHBondContact CD-OD2 3.32Å; R559-D577 IonicContact CZ-OD2 3.25Å; R559-D577 IonicContact NE-OD2 3.58Å; R559-D577 IonicContact NH1-OD2 2.72Å; R559-D577 PolarHBondContact NH1-OD2 3.07Å; M561-D577 HydrophobicContact CE-CB 4.44Å; M561-D577 HydrophobicContact SD-CB 3.6Å; M561-D577 VanDerWaalsContact SD-CB 3.6Å; D577-E579 VanDerWaalsContact C-N 3.25Å; D577-E579 PolarHBondContact O-N 2.89Å; D577-E579 VanDerWaalsContact OD1-C 3.29Å; D577-E579 WeakPolarHBondContact OD1-CA 3.24Å; D577-E579 WeakPolarHBondContact OD1-CB 3.2Å; D577-E579 PolarHBondContact OD1-N 2.91Å; D577-L580 PolarHBondContact O-N 2.81Å; D577-L580 VanDerWaalsContact O-N 3.1Å; D577-L580 PolarHBondContact OD1-N 2.8Å; D577-N581 PolarHBondContact N-O 2.85Å; D577-N581 WeakPolarHBondContact OD1-CA 3.38Å; D577-N581 WeakPolarHBondContact OD1-CB 3.48Å; D577-N581 PolarHBondContact OD1-N 2.91Å; D577-N581 PolarHBondContact OD1-ND2 3.2Å; D577-N581 WeakPolarHBondContact OD2-CB 3.43Å; D577-N581 PolarHBondContact OD2-ND2 2.88Å
578	K	82.3	Confident	87.8	Confident	38 Å²	38	36.9 Å²	36.9	17%	0.165	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26	176.8	-178.6	169	170.1	-160.2	0	113.6	G282 N284 L580	G282-K578 WeakPolarHBondContact O-CD 3.17Å; G282-K578 WeakPolarHBondContact O-CE 3.49Å; G282-K578 PolarHBondContact O-NZ 3.45Å; N284-K578 PolarHBondContact OD1-NZ 3.46Å; K578-L580 PolarHBondContact O-N 2.87Å
579	E	80.3	Confident	87.9	Confident	116 Å²	116	34.3 Å²	34.3	54%	0.542	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	3.5	173.8	-64.8	-179.4	165.8	0	0	112.4	R340 R559 D577 N581	R340-E579 IonicContact NH2-OE2 3.6Å; R559-E579 IonicContact NH1-OE2 2.89Å; D577-E579 VanDerWaalsContact C-N 3.25Å; D577-E579 PolarHBondContact O-N 2.89Å; D577-E579 VanDerWaalsContact OD1-C 3.29Å; D577-E579 WeakPolarHBondContact OD1-CA 3.24Å; D577-E579 WeakPolarHBondContact OD1-CB 3.2Å; D577-E579 PolarHBondContact OD1-N 2.91Å; E579-N581 WeakPolarHBondContact CB-ND2 3.46Å; E579-N581 PolarHBondContact O-N 2.9Å; E579-N581 PolarHBondContact OE2-ND2 2.8Å; E579-N581 VanDerWaalsContact OE2-ND2 3.13Å
580	L	83.7	Confident	88	Confident	31 Å²	31	27.2 Å²	27.2	16%	0.162	14%	0.141	C	C	.	.			trans	67.8	19.9	-178.7	-46.3	168.6	0	0	0	113.1	M306 W316 K318 D577 K578	M306-L580 HydrophobicContact CE-CD2 3.65Å; W316-L580 HydrophobicContact CB-CD2 4Å; W316-L580 HydrophobicContact CG-CD1 4.24Å; W316-L580 HydrophobicContact CG-CD2 4Å; K318-L580 HydrophobicContact CB-CD1 4.1Å; K318-L580 HydrophobicContact CD-CD1 4.47Å; K318-L580 HydrophobicContact CG-CD1 4.4Å; D577-L580 PolarHBondContact O-N 2.81Å; D577-L580 VanDerWaalsContact O-N 3.1Å; D577-L580 PolarHBondContact OD1-N 2.8Å; K578-L580 PolarHBondContact O-N 2.87Å
581	N	87.1	Confident	88.2	Confident	35 Å²	35	23.8 Å²	23.8	19%	0.187	12%	0.123	C	C	.	.			trans	-76	134.6	167.6	-54.2	-65.4	0	0	0	109	R340 G576 D577 E579	R340-N581 HydrophobicContact CG-CB 4.32Å; R340-N581 PolarHBondContact NH1-ND2 3.47Å; R340-N581 PolarHBondContact NH1-OD1 3.47Å; G576-N581 WeakPolarHBondContact CA-O 3.34Å; D577-N581 PolarHBondContact N-O 2.85Å; D577-N581 WeakPolarHBondContact OD1-CA 3.38Å; D577-N581 WeakPolarHBondContact OD1-CB 3.48Å; D577-N581 PolarHBondContact OD1-N 2.91Å; D577-N581 PolarHBondContact OD1-ND2 3.2Å; D577-N581 WeakPolarHBondContact OD2-CB 3.43Å; D577-N581 PolarHBondContact OD2-ND2 2.88Å; E579-N581 WeakPolarHBondContact CB-ND2 3.46Å; E579-N581 PolarHBondContact O-N 2.9Å; E579-N581 PolarHBondContact OE2-ND2 2.8Å; E579-N581 VanDerWaalsContact OE2-ND2 3.13Å
582	I	89.7	Confident	88.1	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.2	178.5	-65.6	158.5	0	0	0	109.1	I314 W316 L341 L343 L564 Y574 L575	I314-I582 HydrophobicContact CD1-CD1 3.39Å; I314-I582 HydrophobicContact CD1-CG1 4.34Å; I314-I582 HydrophobicContact CD1-CG2 4.36Å; I314-I582 HydrophobicContact CG2-CD1 4.33Å; W316-I582 HydrophobicContact CE3-CD1 4.22Å; W316-I582 HydrophobicContact CH2-CD1 3.96Å; W316-I582 HydrophobicContact CZ3-CD1 3.38Å; L341-I582 HydrophobicContact CD1-CG2 3.94Å; L341-I582 PolarHBondContact N-O 3.22Å; L343-I582 HydrophobicContact CD1-CB 4.07Å; L343-I582 HydrophobicContact CD1-CD1 3.36Å; L343-I582 HydrophobicContact CD1-CG1 4.3Å; L343-I582 HydrophobicContact CD1-CG2 4.37Å; L564-I582 HydrophobicContact CD1-CD1 4.47Å; L564-I582 HydrophobicContact CD1-CG1 4.15Å; Y574-I582 HydrophobicContact CD1-CG2 4.3Å; L575-I582 CarbonylContact O-C 3.56Å; L575-I582 VanDerWaalsContact O-CA 3.29Å; L575-I582 WeakPolarHBondContact O-CA 3.31Å
583	V	90.7	Very high	88	Confident	3 Å²	3	24.5 Å²	24.5	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.3	178.9	174.8	0	0	0	0	108.3	G338 M561 Y574 L575 Y585	G338-V583 VanDerWaalsContact C-CG1 3.45Å; M561-V583 HydrophobicContact CE-CB 4.18Å; M561-V583 HydrophobicContact CE-CG2 3.59Å; Y574-V583 WeakPolarHBondContact CA-O 3.25Å; L575-V583 PolarHBondContact N-O 3.04Å; L575-V583 PolarHBondContact O-N 3.45Å; V583-Y585 HydrophobicContact CG1-CD2 4.3Å; V583-Y585 HydrophobicContact CG1-CE2 3.68Å
584	S	90.3	Very high	87.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.9	173.6	76.8	0	0	0	0	112.7	I335 G338 R572 L573	I335-S584 VanDerWaalsContact CG2-OG 3.26Å; I335-S584 WeakPolarHBondContact CG2-OG 3.39Å; G338-S584 PolarHBondContact N-O 3.44Å; G338-S584 VanDerWaalsContact N-O 3.09Å; R572-S584 PolarHBondContact NH1-OG 3.36Å; L573-S584 CarbonylContact O-C 3.58Å; L573-S584 WeakPolarHBondContact O-CA 3.48Å; L573-S584 WeakPolarHBondContact O-CB 3.48Å
585	Y	91.2	Very high	87.5	Confident	25 Å²	25	24.3 Å²	24.3	10%	0.098	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.7	172.4	-71	-86.1	0	0	0	110	D337 L543 A555 L557 R572 L573 L575 V583	D337-Y585 HydrophobicContact CB-CD1 3.94Å; D337-Y585 HydrophobicContact CB-CE1 4.38Å; L543-Y585 HydrophobicContact CD2-CD2 3.92Å; L543-Y585 HydrophobicContact CD2-CG 4.03Å; A555-Y585 HydrophobicContact CB-CD1 3.78Å; A555-Y585 HydrophobicContact CB-CE1 3.42Å; A555-Y585 VanDerWaalsContact CB-CE1 3.42Å; L557-Y585 HydrophobicContact CD2-CE2 3.59Å; L557-Y585 WeakPolarHBondContact CD2-OH 3.44Å; R572-Y585 WeakPolarHBondContact CA-O 3.4Å; L573-Y585 PolarHBondContact N-O 3.26Å; L573-Y585 PolarHBondContact O-N 3.44Å; L575-Y585 HydrophobicContact CD1-CD2 3.4Å; L575-Y585 VanDerWaalsContact CD1-CD2 3.4Å; L575-Y585 HydrophobicContact CD1-CE2 3.73Å; V583-Y585 HydrophobicContact CG1-CD2 4.3Å; V583-Y585 HydrophobicContact CG1-CE2 3.68Å
586	S	89.4	Confident	87.1	Confident	47 Å²	47	25.1 Å²	25.1	33%	0.329	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.9	175.1	67.1	0	0	0	0	111	D337	D337-S586 VanDerWaalsContact CG-N 3.31Å; D337-S586 PolarHBondContact OD1-N 2.94Å; D337-S586 WeakPolarHBondContact OD2-CB 3.4Å; D337-S586 PolarHBondContact OD2-N 3.24Å; D337-S586 PolarHBondContact OD2-OG 3.07Å
587	L	88.9	Confident	86.9	Confident	7 Å²	7	25.2 Å²	25.2	4%	0.037	13%	0.132	C	C	.	.			trans	-148.8	105.4	173.3	-175.6	67.5	0	0	0	108.3	I535 Y545 I554 Y566 N571 V589 L592	I535-L587 HydrophobicContact CD1-CD2 3.4Å; I535-L587 HydrophobicContact CG1-CD2 4.29Å; Y545-L587 HydrophobicContact CE1-CD1 4.49Å; I554-L587 HydrophobicContact CD1-CD1 4.07Å; I554-L587 HydrophobicContact CD1-CD2 3.92Å; Y566-L587 HydrophobicContact CE2-CB 4.15Å; Y566-L587 HydrophobicContact CE2-CD2 4.46Å; Y566-L587 WeakPolarHBondContact CE2-O 3.47Å; Y566-L587 PolarHBondContact OH-O 3.43Å; N571-L587 CarbonylContact C-O 3.51Å; N571-L587 VanDerWaalsContact C-O 3.31Å; N571-L587 CarbonylContact O-C 3.51Å; N571-L587 PolarHBondContact O-N 3.48Å; L587-V589 PolarHBondContact O-N 3.31Å; L587-L592 HydrophobicContact CD1-CD2 4.23Å; L587-L592 HydrophobicContact CD1-CG 4.47Å; L587-L592 HydrophobicContact CD2-CD1 3.63Å; L587-L592 HydrophobicContact CD2-CD2 4.2Å; L587-L592 HydrophobicContact CD2-CG 4.29Å; L587-L592 HydrophobicContact CG-CD1 3.84Å; L587-L592 HydrophobicContact CG-CD2 4.34Å; L587-L592 HydrophobicContact CG-CG 4.2Å
588	L	88.1	Confident	86.8	Confident	35 Å²	35	25 Å²	25	18%	0.183	13%	0.13	C	C	.	.			trans	-69	127	-175.8	-69.6	168.8	0	0	0	111.2	N571 S590 V591 L592 P614 Q617	N571-L588 HydrophobicContact CB-CD2 3.99Å; L588-S590 PolarHBondContact O-N 3.25Å; L588-V591 HydrophobicContact CB-CB 4.44Å; L588-V591 HydrophobicContact CB-CG2 4.13Å; L588-V591 HydrophobicContact CD1-CG2 4.42Å; L588-V591 PolarHBondContact O-N 2.91Å; L588-L592 PolarHBondContact O-N 3.07Å; L588-P614 HydrophobicContact CD1-CG 3.83Å; L588-Q617 HydrophobicContact CD1-CG 4.29Å
589	V	87.7	Confident	86.7	Confident	25 Å²	25	25.6 Å²	25.6	15%	0.152	13%	0.134	C	C	.	.	H	α-helix	trans	-54.6	-44	173.5	178.1	0	0	0	0	110.1	Y566 P568 N571 L587 V591 L592 E593	Y566-V589 HydrophobicContact CE1-CG2 3.81Å; Y566-V589 WeakPolarHBondContact OH-CG2 3.1Å; Y566-V589 PolarHBondContact OH-N 2.86Å; P568-V589 HydrophobicContact CB-CG2 3.88Å; N571-V589 WeakPolarHBondContact OD1-CG2 3.15Å; N571-V589 PolarHBondContact OD1-N 2.99Å; L587-V589 PolarHBondContact O-N 3.31Å; V589-V591 PolarHBondContact O-N 3.13Å; V589-L592 WeakPolarHBondContact O-CB 3.23Å; V589-L592 PolarHBondContact O-N 3.27Å; V589-E593 HydrophobicContact CG1-CG 3.82Å; V589-E593 WeakPolarHBondContact CG1-OE1 3.46Å; V589-E593 PolarHBondContact O-N 3.06Å
590	S	86.4	Confident	86.8	Confident	27 Å²	27	27 Å²	27	19%	0.189	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-32.5	-177.1	-58	0	0	0	0	113.6	L588 Y594 V609 T612	L588-S590 PolarHBondContact O-N 3.25Å; S590-Y594 VanDerWaalsContact O-CB 3.24Å; S590-Y594 WeakPolarHBondContact O-CB 3.32Å; S590-Y594 PolarHBondContact O-N 2.9Å; S590-V609 WeakPolarHBondContact O-CG1 3.38Å; S590-T612 VanDerWaalsContact CB-OG1 3.3Å; S590-T612 WeakPolarHBondContact CB-OG1 3.46Å; S590-T612 PolarHBondContact OG-OG1 3.47Å
591	V	87	Confident	86.7	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-72.6	-42.1	176.6	173.5	0	0	0	0	110.6	L588 V589 Y594 Q595 I613 Q617 V621	L588-V591 HydrophobicContact CB-CB 4.44Å; L588-V591 HydrophobicContact CB-CG2 4.13Å; L588-V591 HydrophobicContact CD1-CG2 4.42Å; L588-V591 PolarHBondContact O-N 2.91Å; V589-V591 PolarHBondContact O-N 3.13Å; V591-Y594 PolarHBondContact O-N 2.96Å; V591-Q595 HydrophobicContact CG1-CG 4.48Å; V591-Q595 WeakPolarHBondContact O-CB 3.03Å; V591-Q595 VanDerWaalsContact O-CG 3.27Å; V591-Q595 WeakPolarHBondContact O-CG 3.27Å; V591-Q595 PolarHBondContact O-N 2.86Å; V591-I613 HydrophobicContact CG2-CD1 4.3Å; V591-I613 HydrophobicContact CG2-CG1 4.25Å; V591-I613 HydrophobicContact CG2-CG2 3.82Å; V591-Q617 HydrophobicContact CG2-CB 4.28Å; V591-V621 HydrophobicContact CG1-CG2 4.1Å; V591-V621 HydrophobicContact CG2-CG2 4.49Å
592	L	85.9	Confident	86.7	Confident	4 Å²	4	36 Å²	36	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-44.4	176.8	-63.5	175.9	0	0	0	111.7	V530 C533 Y545 L587 L588 V589 Q595 T596	V530-L592 HydrophobicContact CB-CD1 4.25Å; V530-L592 HydrophobicContact CG1-CD1 3.99Å; C533-L592 HydrophobicContact CB-CD2 4.04Å; Y545-L592 HydrophobicContact CD2-CD2 4.09Å; Y545-L592 HydrophobicContact CE2-CD2 4.02Å; L587-L592 HydrophobicContact CD1-CD2 4.23Å; L587-L592 HydrophobicContact CD1-CG 4.47Å; L587-L592 HydrophobicContact CD2-CD1 3.63Å; L587-L592 HydrophobicContact CD2-CD2 4.2Å; L587-L592 HydrophobicContact CD2-CG 4.29Å; L587-L592 HydrophobicContact CG-CD1 3.84Å; L587-L592 HydrophobicContact CG-CD2 4.34Å; L587-L592 HydrophobicContact CG-CG 4.2Å; L588-L592 PolarHBondContact O-N 3.07Å; V589-L592 WeakPolarHBondContact O-CB 3.23Å; V589-L592 PolarHBondContact O-N 3.27Å; L592-Q595 PolarHBondContact O-N 2.82Å; L592-T596 VanDerWaalsContact O-CB 3.3Å; L592-T596 WeakPolarHBondContact O-CB 3.43Å; L592-T596 PolarHBondContact O-N 2.9Å; L592-T596 PolarHBondContact O-OG1 3.45Å
593	E	85.8	Confident	86.3	Confident	103 Å²	103	38.4 Å²	38.4	48%	0.481	18%	0.179	S	C	.	.	H	α-helix	trans	-61.9	-43.4	175.9	-75.2	-179.9	167	0	0	111.6	V589 T596 A597	V589-E593 HydrophobicContact CG1-CG 3.82Å; V589-E593 WeakPolarHBondContact CG1-OE1 3.46Å; V589-E593 PolarHBondContact O-N 3.06Å; E593-T596 PolarHBondContact O-N 2.84Å; E593-A597 WeakPolarHBondContact O-CB 3.21Å; E593-A597 PolarHBondContact O-N 2.92Å
594	Y	87.6	Confident	86.1	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-49.4	176	-177.2	-85.6	0	0	0	111.6	S590 V591 T596 A597 V598 A606 L610 I613 V621 L625	S590-Y594 VanDerWaalsContact O-CB 3.24Å; S590-Y594 WeakPolarHBondContact O-CB 3.32Å; S590-Y594 PolarHBondContact O-N 2.9Å; V591-Y594 PolarHBondContact O-N 2.96Å; Y594-T596 VanDerWaalsContact C-N 3.29Å; Y594-T596 PolarHBondContact O-N 3.25Å; Y594-A597 PolarHBondContact O-N 3.36Å; Y594-V598 HydrophobicContact CD1-CG2 4Å; Y594-V598 HydrophobicContact CE1-CG2 3.59Å; Y594-V598 VanDerWaalsContact O-CG2 3.31Å; Y594-V598 WeakPolarHBondContact O-CG2 3.3Å; Y594-V598 PolarHBondContact O-N 2.81Å; Y594-A606 HydrophobicContact CD2-CB 3.9Å; Y594-A606 VanDerWaalsContact CD2-O 3.25Å; Y594-A606 WeakPolarHBondContact CD2-O 3.44Å; Y594-A606 HydrophobicContact CE2-CB 3.63Å; Y594-A606 VanDerWaalsContact CE2-O 3.27Å; Y594-A606 WeakPolarHBondContact CE2-O 3.32Å; Y594-L610 HydrophobicContact CD2-CB 4.43Å; Y594-L610 HydrophobicContact CE2-CB 4.07Å; Y594-L610 HydrophobicContact CE2-CD1 3.99Å; Y594-I613 HydrophobicContact CD2-CD1 4.11Å; Y594-I613 HydrophobicContact CG-CD1 3.89Å; Y594-V621 HydrophobicContact CD1-CG1 3.42Å; Y594-V621 VanDerWaalsContact CD1-CG1 3.42Å; Y594-V621 HydrophobicContact CE1-CG1 3.14Å; Y594-V621 HydrophobicContact CG-CG1 4.42Å; Y594-L625 HydrophobicContact CE1-CD1 4.21Å; Y594-L625 HydrophobicContact CE1-CD2 4.36Å; Y594-L625 HydrophobicContact CE1-CG 4.4Å
595	Q	85.3	Confident	85.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-40.2	178.6	-71.6	179.4	-18.6	0	0	111.5	Y545 V547 V591 L592 V598 M599 F624	Y545-Q595 PolarHBondContact OH-NE2 2.87Å; Y545-Q595 VanDerWaalsContact OH-NE2 3.16Å; Y545-Q595 PolarHBondContact OH-OE1 3.38Å; V547-Q595 HydrophobicContact CG1-CB 4.19Å; V591-Q595 HydrophobicContact CG1-CG 4.48Å; V591-Q595 WeakPolarHBondContact O-CB 3.03Å; V591-Q595 VanDerWaalsContact O-CG 3.27Å; V591-Q595 WeakPolarHBondContact O-CG 3.27Å; V591-Q595 PolarHBondContact O-N 2.86Å; L592-Q595 PolarHBondContact O-N 2.82Å; Q595-V598 PolarHBondContact O-N 2.93Å; Q595-M599 WeakPolarHBondContact O-CG 3.33Å; Q595-M599 PolarHBondContact O-N 2.85Å; Q595-M599 VanDerWaalsContact O-N 3.08Å; Q595-F624 HydrophobicContact CB-CD1 4.41Å; Q595-F624 HydrophobicContact CB-CE1 3.8Å; Q595-F624 HydrophobicContact CB-CZ 3.83Å; Q595-F624 HydrophobicContact CG-CD1 3.79Å; Q595-F624 HydrophobicContact CG-CE1 3.7Å; Q595-F624 HydrophobicContact CG-CE2 4.45Å; Q595-F624 HydrophobicContact CG-CG 4.19Å; Q595-F624 HydrophobicContact CG-CZ 4.01Å
596	T	83.7	Confident	85.5	Confident	16 Å²	16	45.4 Å²	45.4	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-45.2	175.3	-58.3	0	0	0	0	111.8	D532 C533 L592 E593 Y594 V598 M599 R600	D532-T596 HydrophobicContact CB-CG2 3.64Å; D532-T596 VanDerWaalsContact OD2-CG2 3.3Å; D532-T596 WeakPolarHBondContact OD2-CG2 3.27Å; C533-T596 PolarHBondContact SG-OG1 3.4Å; C533-T596 VanDerWaalsContact SG-OG1 3.39Å; L592-T596 VanDerWaalsContact O-CB 3.3Å; L592-T596 WeakPolarHBondContact O-CB 3.43Å; L592-T596 PolarHBondContact O-N 2.9Å; L592-T596 PolarHBondContact O-OG1 3.45Å; E593-T596 PolarHBondContact O-N 2.84Å; Y594-T596 VanDerWaalsContact C-N 3.29Å; Y594-T596 PolarHBondContact O-N 3.25Å; T596-V598 VanDerWaalsContact C-N 3.35Å; T596-V598 PolarHBondContact O-N 2.87Å; T596-M599 PolarHBondContact O-N 3.44Å; T596-R600 WeakPolarHBondContact O-CG 3.25Å; T596-R600 PolarHBondContact O-N 2.94Å
597	A	85.4	Confident	85.2	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-40.9	178.5	0	0	0	0	0	112.1	E593 Y594 M599 R600 R601 D602 M605 A606	E593-A597 WeakPolarHBondContact O-CB 3.21Å; E593-A597 PolarHBondContact O-N 2.92Å; Y594-A597 PolarHBondContact O-N 3.36Å; A597-M599 VanDerWaalsContact C-N 3.35Å; A597-M599 PolarHBondContact O-N 3.19Å; A597-R600 CarbonylContact O-C 3.53Å; A597-R600 PolarHBondContact O-N 3.18Å; A597-R601 PolarHBondContact O-N 3.38Å; A597-R601 VanDerWaalsContact O-N 3.14Å; A597-D602 PolarHBondContact O-N 2.9Å; A597-M605 HydrophobicContact CB-CB 4.3Å; A597-M605 HydrophobicContact CB-CG 4.27Å; A597-M605 HydrophobicContact CB-SD 4.43Å; A597-A606 HydrophobicContact CB-CB 4.15Å
598	V	85.6	Confident	85.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-43.3	174.4	172	0	0	0	0	111	Y594 Q595 T596 R600 R601 A606 F624 L625 F630	Y594-V598 HydrophobicContact CD1-CG2 4Å; Y594-V598 HydrophobicContact CE1-CG2 3.59Å; Y594-V598 VanDerWaalsContact O-CG2 3.31Å; Y594-V598 WeakPolarHBondContact O-CG2 3.3Å; Y594-V598 PolarHBondContact O-N 2.81Å; Q595-V598 PolarHBondContact O-N 2.93Å; T596-V598 VanDerWaalsContact C-N 3.35Å; T596-V598 PolarHBondContact O-N 2.87Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 2.94Å; V598-R601 WeakPolarHBondContact O-CA 3.32Å; V598-R601 PolarHBondContact O-N 2.8Å; V598-A606 HydrophobicContact CG2-CB 4.19Å; V598-F624 HydrophobicContact CB-CE1 4.29Å; V598-F624 HydrophobicContact CG1-CE1 4.15Å; V598-L625 HydrophobicContact CB-CD2 4.49Å; V598-L625 HydrophobicContact CG1-CD2 3.75Å; V598-L625 HydrophobicContact CG2-CD2 3.88Å; V598-F630 HydrophobicContact CG1-CD2 3.99Å; V598-F630 HydrophobicContact CG1-CE2 4.01Å
599	M	81.1	Confident	85.2	Confident	51 Å²	51	54.4 Å²	54.4	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-38.3	176.8	-72.3	-54.1	107.3	0	0	112.7	V547 Q595 T596 A597 R601 F624 Q628	V547-M599 HydrophobicContact CG1-CG 3.63Å; Q595-M599 WeakPolarHBondContact O-CG 3.33Å; Q595-M599 PolarHBondContact O-N 2.85Å; Q595-M599 VanDerWaalsContact O-N 3.08Å; T596-M599 PolarHBondContact O-N 3.44Å; A597-M599 VanDerWaalsContact C-N 3.35Å; A597-M599 PolarHBondContact O-N 3.19Å; M599-R601 PolarHBondContact O-N 3.37Å; M599-F624 HydrophobicContact CE-CE1 3.67Å; M599-F624 HydrophobicContact CE-CE2 4.13Å; M599-F624 HydrophobicContact CE-CZ 3.27Å; M599-F624 HydrophobicContact CG-CZ 4.26Å; M599-F624 HydrophobicContact SD-CZ 4.29Å; M599-Q628 HydrophobicContact CE-CB 4.25Å; M599-Q628 HydrophobicContact CE-CG 3.42Å; M599-Q628 VanDerWaalsContact CE-CG 3.42Å; M599-Q628 VanDerWaalsContact CE-OE1 3.27Å
600	R	82.2	Confident	85	Confident	146 Å²	146	54.6 Å²	54.6	55%	0.551	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-3	173	-66.8	177.4	-179.8	-163.5	-2	113.3	D532 T596 A597 V598 D602	D532-R600 IonicContact OD1-CZ 3.41Å; D532-R600 IonicContact OD1-NH2 3.31Å; D532-R600 PolarHBondContact OD1-NH2 2.87Å; D532-R600 IonicContact OD2-CZ 3.41Å; D532-R600 IonicContact OD2-NE 2.74Å; D532-R600 PolarHBondContact OD2-NE 3.27Å; D532-R600 IonicContact OD2-NH2 3.62Å; D532-R600 PolarHBondContact OD2-NH2 2.76Å; T596-R600 WeakPolarHBondContact O-CG 3.25Å; T596-R600 PolarHBondContact O-N 2.94Å; A597-R600 CarbonylContact O-C 3.53Å; A597-R600 PolarHBondContact O-N 3.18Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 2.94Å; R600-D602 PolarHBondContact O-N 3.39Å
601	R	82.5	Confident	85	Confident	193 Å²	193	57.8 Å²	57.8	73%	0.728	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	23.4	-173.1	-55.9	-178.2	176.2	-174.4	-1.3	113.7	A597 V598 M599 F603	A597-R601 PolarHBondContact O-N 3.38Å; A597-R601 VanDerWaalsContact O-N 3.14Å; V598-R601 WeakPolarHBondContact O-CA 3.32Å; V598-R601 PolarHBondContact O-N 2.8Å; M599-R601 PolarHBondContact O-N 3.37Å; R601-F603 HydrophobicContact CB-CE2 4.34Å; R601-F603 PolarHBondContact O-N 2.87Å
602	D	86.3	Confident	85	Confident	60 Å²	60	61.7 Å²	61.7	32%	0.321	30%	0.303	S	S	.	.			trans	-92.2	80.2	173.7	-172.5	-4.1	0	0	0	110.4	A597 R600 S604 M605 A606	A597-D602 PolarHBondContact O-N 2.9Å; R600-D602 PolarHBondContact O-N 3.39Å; D602-S604 PolarHBondContact O-N 3.09Å; D602-S604 WeakPolarHBondContact OD1-CB 3.14Å; D602-S604 PolarHBondContact OD1-N 3.07Å; D602-S604 VanDerWaalsContact OD1-N 3.17Å; D602-S604 PolarHBondContact OD1-OG 2.99Å; D602-M605 HydrophobicContact CB-CB 4.45Å; D602-M605 PolarHBondContact O-N 3.37Å; D602-M605 PolarHBondContact OD1-N 3.45Å; D602-M605 VanDerWaalsContact OD1-N 3.14Å; D602-A606 PolarHBondContact O-N 2.88Å
603	F	82.3	Confident	85	Confident	56 Å²	56	61.6 Å²	61.6	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-22.5	178.3	-59	-69	0	0	0	112.9	R601 A606 D607 F630 Q633	R601-F603 HydrophobicContact CB-CE2 4.34Å; R601-F603 PolarHBondContact O-N 2.87Å; F603-A606 PolarHBondContact O-N 3.02Å; F603-D607 WeakPolarHBondContact O-CB 3.36Å; F603-D607 VanDerWaalsContact O-CG 3.31Å; F603-D607 PolarHBondContact O-N 3.23Å; F603-F630 HydrophobicContact CE1-CD1 4.48Å; F603-F630 HydrophobicContact CE1-CE1 4.46Å; F603-F630 HydrophobicContact CE1-CZ 4.5Å; F603-F630 HydrophobicContact CZ-CD1 4.1Å; F603-F630 AromaticContact CZ-CE1 3.72Å; F603-F630 HydrophobicContact CZ-CE1 3.72Å; F603-F630 HydrophobicContact CZ-CE2 4.3Å; F603-F630 AromaticContact CZ-CZ 3.83Å; F603-F630 HydrophobicContact CZ-CZ 3.83Å; F603-Q633 VanDerWaalsContact CE1-NE2 3.34Å
604	S	85.9	Confident	85	Confident	74 Å²	74	59.5 Å²	59.5	52%	0.517	30%	0.298	S	S	.	.	H	α-helix	trans	-70	-36	179.5	79.7	0	0	0	0	112.3	D602 K608	D602-S604 PolarHBondContact O-N 3.09Å; D602-S604 WeakPolarHBondContact OD1-CB 3.14Å; D602-S604 PolarHBondContact OD1-N 3.07Å; D602-S604 VanDerWaalsContact OD1-N 3.17Å; D602-S604 PolarHBondContact OD1-OG 2.99Å; S604-K608 WeakPolarHBondContact O-CG 3.38Å
605	M	83.8	Confident	84.8	Confident	100 Å²	100	66.5 Å²	66.5	49%	0.493	33%	0.329	S	S	.	.	H	α-helix	trans	-73.8	-43	171.5	-177.6	175.4	-76.3	0	0	110.6	A597 D602 D607 K608 V609	A597-M605 HydrophobicContact CB-CB 4.3Å; A597-M605 HydrophobicContact CB-CG 4.27Å; A597-M605 HydrophobicContact CB-SD 4.43Å; D602-M605 HydrophobicContact CB-CB 4.45Å; D602-M605 PolarHBondContact O-N 3.37Å; D602-M605 PolarHBondContact OD1-N 3.45Å; D602-M605 VanDerWaalsContact OD1-N 3.14Å; M605-D607 VanDerWaalsContact C-N 3.34Å; M605-D607 PolarHBondContact O-N 2.84Å; M605-K608 WeakPolarHBondContact O-CB 3.45Å; M605-K608 PolarHBondContact O-N 3.48Å; M605-K608 VanDerWaalsContact O-N 3.12Å; M605-V609 WeakPolarHBondContact O-CG2 3.49Å; M605-V609 PolarHBondContact O-N 2.98Å; M605-V609 VanDerWaalsContact O-N 3.16Å
606	A	84.1	Confident	84.7	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-56.7	-45.7	178.9	0	0	0	0	0	112.1	Y594 A597 V598 D602 F603 K608 V609 L610	Y594-A606 HydrophobicContact CD2-CB 3.9Å; Y594-A606 VanDerWaalsContact CD2-O 3.25Å; Y594-A606 WeakPolarHBondContact CD2-O 3.44Å; Y594-A606 HydrophobicContact CE2-CB 3.63Å; Y594-A606 VanDerWaalsContact CE2-O 3.27Å; Y594-A606 WeakPolarHBondContact CE2-O 3.32Å; A597-A606 HydrophobicContact CB-CB 4.15Å; V598-A606 HydrophobicContact CG2-CB 4.19Å; D602-A606 PolarHBondContact O-N 2.88Å; F603-A606 PolarHBondContact O-N 3.02Å; A606-K608 VanDerWaalsContact C-N 3.27Å; A606-K608 PolarHBondContact O-N 3.29Å; A606-V609 PolarHBondContact O-N 3.07Å; A606-V609 VanDerWaalsContact O-N 3.15Å; A606-L610 PolarHBondContact O-N 3.04Å
607	D	84.6	Confident	84.7	Confident	96 Å²	96	76.3 Å²	76.3	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-66	-27.4	179.5	-72.4	-19.4	0	0	0	113.3	F603 M605 P611	F603-D607 WeakPolarHBondContact O-CB 3.36Å; F603-D607 VanDerWaalsContact O-CG 3.31Å; F603-D607 PolarHBondContact O-N 3.23Å; M605-D607 VanDerWaalsContact C-N 3.34Å; M605-D607 PolarHBondContact O-N 2.84Å; D607-P611 WeakPolarHBondContact O-CD 3.3Å
608	K	87.9	Confident	84.7	Confident	162 Å²	162	78.9 Å²	78.9	70%	0.704	38%	0.382	S	S	*	.	H	α-helix	trans	-75.1	-32	174.5	-71	172.5	-174.4	170.6	0	112.7	S604 M605 A606 P611	S604-K608 WeakPolarHBondContact O-CG 3.38Å; M605-K608 WeakPolarHBondContact O-CB 3.45Å; M605-K608 PolarHBondContact O-N 3.48Å; M605-K608 VanDerWaalsContact O-N 3.12Å; A606-K608 VanDerWaalsContact C-N 3.27Å; A606-K608 PolarHBondContact O-N 3.29Å; K608-P611 WeakPolarHBondContact O-CD 3.46Å
609	V	87.2	Confident	84.7	Confident	20 Å²	20	80.5 Å²	80.5	12%	0.121	39%	0.393	C	S	.	.	H	α-helix	trans	-84.1	-28.5	-179.9	179.2	0	0	0	0	111.2	S590 M605 A606 P611 T612	S590-V609 WeakPolarHBondContact O-CG1 3.38Å; M605-V609 WeakPolarHBondContact O-CG2 3.49Å; M605-V609 PolarHBondContact O-N 2.98Å; M605-V609 VanDerWaalsContact O-N 3.16Å; A606-V609 PolarHBondContact O-N 3.07Å; A606-V609 VanDerWaalsContact O-N 3.15Å; V609-P611 VanDerWaalsContact C-N 3.33Å; V609-P611 VanDerWaalsContact O-N 3.12Å; V609-T612 PolarHBondContact O-N 2.77Å; V609-T612 PolarHBondContact O-OG1 2.94Å
610	L	84.8	Confident	84.8	Confident	30 Å²	30	82.2 Å²	82.2	16%	0.157	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-49.4	-40.9	-178.1	-175.4	67.9	0	0	0	115.1	Y594 A606 T612 I613 R618 V637	Y594-L610 HydrophobicContact CD2-CB 4.43Å; Y594-L610 HydrophobicContact CE2-CB 4.07Å; Y594-L610 HydrophobicContact CE2-CD1 3.99Å; A606-L610 PolarHBondContact O-N 3.04Å; L610-T612 VanDerWaalsContact C-N 3.28Å; L610-T612 PolarHBondContact O-N 3.49Å; L610-I613 PolarHBondContact O-N 2.95Å; L610-R618 PolarHBondContact O-NH2 2.88Å; L610-V637 HydrophobicContact CD1-CB 4.48Å; L610-V637 HydrophobicContact CD1-CG1 3.89Å; L610-V637 HydrophobicContact CD1-CG2 3.82Å; L610-V637 HydrophobicContact CD2-CG2 3.95Å
611	P	86.7	Confident	85	Confident	93 Å²	93	75.3 Å²	75.3	60%	0.604	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.9	178.4	-22.2	35.3	0	0	0	114.3	D607 K608 V609 I613	D607-P611 WeakPolarHBondContact O-CD 3.3Å; K608-P611 WeakPolarHBondContact O-CD 3.46Å; V609-P611 VanDerWaalsContact C-N 3.33Å; V609-P611 VanDerWaalsContact O-N 3.12Å; P611-I613 VanDerWaalsContact C-N 3.25Å; P611-I613 PolarHBondContact O-N 3.35Å
612	T	86.8	Confident	85.1	Confident	86 Å²	86	66.1 Å²	66.1	53%	0.528	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-77.3	-14.5	179	70.3	0	0	0	0	112.3	S590 V609 L610 P614	S590-T612 VanDerWaalsContact CB-OG1 3.3Å; S590-T612 WeakPolarHBondContact CB-OG1 3.46Å; S590-T612 PolarHBondContact OG-OG1 3.47Å; V609-T612 PolarHBondContact O-N 2.77Å; V609-T612 PolarHBondContact O-OG1 2.94Å; L610-T612 VanDerWaalsContact C-N 3.28Å; L610-T612 PolarHBondContact O-N 3.49Å; T612-P614 WeakPolarHBondContact O-CD 3.24Å
613	I	85.8	Confident	85.2	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	34%	0.338	C	S	.	.	S	Bend	trans	-81	123.4	178.7	-58	174.6	0	0	0	110.1	V591 Y594 L610 P611 Q617 R618 V621	V591-I613 HydrophobicContact CG2-CD1 4.3Å; V591-I613 HydrophobicContact CG2-CG1 4.25Å; V591-I613 HydrophobicContact CG2-CG2 3.82Å; Y594-I613 HydrophobicContact CD2-CD1 4.11Å; Y594-I613 HydrophobicContact CG-CD1 3.89Å; L610-I613 PolarHBondContact O-N 2.95Å; P611-I613 VanDerWaalsContact C-N 3.25Å; P611-I613 PolarHBondContact O-N 3.35Å; I613-Q617 HydrophobicContact CG2-CB 4.15Å; I613-R618 HydrophobicContact CG2-CG 4.19Å; I613-R618 PolarHBondContact O-NE 2.79Å; I613-R618 VanDerWaalsContact O-NE 3.14Å; I613-R618 PolarHBondContact O-NH2 2.99Å; I613-V621 HydrophobicContact CD1-CG2 4.38Å
614	P	86.3	Confident	85.3	Confident	59 Å²	59	64.9 Å²	64.9	38%	0.383	33%	0.328	S	S	.	.			trans	-57.8	145.7	174.2	-23.7	34	0	0	0	112.3	L588 T612 E616 Q617 R618	L588-P614 HydrophobicContact CD1-CG 3.83Å; T612-P614 WeakPolarHBondContact O-CD 3.24Å; P614-E616 PolarHBondContact O-N 2.87Å; P614-Q617 PolarHBondContact O-N 2.82Å; P614-R618 PolarHBondContact O-N 2.94Å
615	K	83.8	Confident	85.4	Confident	149 Å²	149	61.3 Å²	61.3	65%	0.648	30%	0.304	S	S	*	.	H	α-helix	trans	-56.4	-36.6	-177	-69.5	-176.8	179.1	-179.7	0	113	Q617 R618	K615-Q617 PolarHBondContact O-N 2.96Å; K615-R618 WeakPolarHBondContact O-CB 3.48Å; K615-R618 PolarHBondContact O-N 2.83Å; K615-R618 VanDerWaalsContact O-N 3.07Å
616	E	83.1	Confident	85.6	Confident	178 Å²	178	58.4 Å²	58.4	83%	0.832	29%	0.289	S	S	*	.	H	α-helix	trans	-56.7	-35.5	178.1	-64.8	171.4	-170.4	0	0	113.3	P614	P614-E616 PolarHBondContact O-N 2.87Å
617	Q	83	Confident	85.7	Confident	45 Å²	45	65.6 Å²	65.6	21%	0.21	32%	0.32	C	S	.	.	H	α-helix	trans	-90.8	-7	-179.2	-59.8	-152.7	6.8	0	0	113.3	L588 V591 I613 P614 K615 T619 R620 V621	L588-Q617 HydrophobicContact CD1-CG 4.29Å; V591-Q617 HydrophobicContact CG2-CB 4.28Å; I613-Q617 HydrophobicContact CG2-CB 4.15Å; P614-Q617 PolarHBondContact O-N 2.82Å; K615-Q617 PolarHBondContact O-N 2.96Å; Q617-T619 PolarHBondContact O-N 2.89Å; Q617-R620 WeakPolarHBondContact O-CB 3.49Å; Q617-R620 PolarHBondContact O-N 2.88Å; Q617-V621 WeakPolarHBondContact O-CG2 3.28Å; Q617-V621 PolarHBondContact O-N 3.02Å; Q617-V621 VanDerWaalsContact O-N 3.14Å
618	R	84.9	Confident	85.7	Confident	56 Å²	56	63.7 Å²	63.7	21%	0.211	31%	0.308	C	S	.	.	H	α-helix	trans	-68.1	-34.3	-179.1	-68.2	-176.1	-174.5	-168.6	-3.4	112.8	L610 I613 P614 K615 R620 V621 A622 V637 T639	L610-R618 PolarHBondContact O-NH2 2.88Å; I613-R618 HydrophobicContact CG2-CG 4.19Å; I613-R618 PolarHBondContact O-NE 2.79Å; I613-R618 VanDerWaalsContact O-NE 3.14Å; I613-R618 PolarHBondContact O-NH2 2.99Å; P614-R618 PolarHBondContact O-N 2.94Å; K615-R618 WeakPolarHBondContact O-CB 3.48Å; K615-R618 PolarHBondContact O-N 2.83Å; K615-R618 VanDerWaalsContact O-N 3.07Å; R618-R620 VanDerWaalsContact C-N 3.3Å; R618-R620 PolarHBondContact O-N 2.91Å; R618-V621 PolarHBondContact O-N 2.83Å; R618-A622 WeakPolarHBondContact O-CB 3.41Å; R618-A622 PolarHBondContact O-N 2.88Å; R618-V637 HydrophobicContact CB-CG1 4.17Å; R618-T639 HydrophobicContact CB-CG2 4.32Å
619	T	85.4	Confident	85.6	Confident	35 Å²	35	58.3 Å²	58.3	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-42	173.4	-50	0	0	0	0	111.2	Q617 V621 A622 H623 T639 D640	Q617-T619 PolarHBondContact O-N 2.89Å; T619-V621 PolarHBondContact O-N 2.99Å; T619-A622 WeakPolarHBondContact O-CB 3.34Å; T619-A622 PolarHBondContact O-N 3.06Å; T619-H623 PolarHBondContact O-CD2 2.95Å; T619-H623 VanDerWaalsContact O-CD2 3.25Å; T619-H623 PolarHBondContact O-N 2.9Å; T619-T639 PolarHBondContact OG1-OG1 2.97Å; T619-D640 HydrophobicContact CG2-CB 4.01Å
620	R	83.3	Confident	85.6	Confident	86 Å²	86	60.1 Å²	60.1	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.9	-172.5	-179.9	-177	160.7	6.1	112	T553 Q617 R618 A622 H623 F624	T553-R620 PolarHBondContact O-NH2 3.23Å; Q617-R620 WeakPolarHBondContact O-CB 3.49Å; Q617-R620 PolarHBondContact O-N 2.88Å; R618-R620 VanDerWaalsContact C-N 3.3Å; R618-R620 PolarHBondContact O-N 2.91Å; R620-A622 VanDerWaalsContact C-N 3.33Å; R620-H623 PolarHBondContact O-N 2.73Å; R620-F624 PolarHBondContact O-N 2.89Å; R620-F624 VanDerWaalsContact O-N 3.14Å
621	V	85.8	Confident	85.8	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-38.8	175.3	175.2	0	0	0	0	111.3	V591 Y594 I613 Q617 R618 T619 F624 L625 V637	V591-V621 HydrophobicContact CG1-CG2 4.1Å; V591-V621 HydrophobicContact CG2-CG2 4.49Å; Y594-V621 HydrophobicContact CD1-CG1 3.42Å; Y594-V621 VanDerWaalsContact CD1-CG1 3.42Å; Y594-V621 HydrophobicContact CE1-CG1 3.14Å; Y594-V621 HydrophobicContact CG-CG1 4.42Å; I613-V621 HydrophobicContact CD1-CG2 4.38Å; Q617-V621 WeakPolarHBondContact O-CG2 3.28Å; Q617-V621 PolarHBondContact O-N 3.02Å; Q617-V621 VanDerWaalsContact O-N 3.14Å; R618-V621 PolarHBondContact O-N 2.83Å; T619-V621 PolarHBondContact O-N 2.99Å; V621-F624 WeakPolarHBondContact O-CB 3.24Å; V621-F624 PolarHBondContact O-N 2.88Å; V621-L625 HydrophobicContact CG1-CD1 4.27Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 2.99Å; V621-V637 HydrophobicContact CB-CG1 4.27Å; V621-V637 HydrophobicContact CG1-CG1 4.04Å
622	A	86.6	Confident	85.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-43.2	177.1	0	0	0	0	0	112.2	R618 T619 R620 F624 L625 E626 A634 V637	R618-A622 WeakPolarHBondContact O-CB 3.41Å; R618-A622 PolarHBondContact O-N 2.88Å; T619-A622 WeakPolarHBondContact O-CB 3.34Å; T619-A622 PolarHBondContact O-N 3.06Å; R620-A622 VanDerWaalsContact C-N 3.33Å; A622-F624 VanDerWaalsContact C-N 3.31Å; A622-F624 PolarHBondContact O-N 3.33Å; A622-L625 PolarHBondContact O-N 3.32Å; A622-E626 PolarHBondContact O-N 3.25Å; A622-A634 WeakPolarHBondContact O-CB 3.37Å; A622-V637 HydrophobicContact CB-CG1 4.46Å
623	H	87.1	Confident	85.8	Confident	82 Å²	82	63.1 Å²	63.1	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-38	173.8	-75.9	-59.7	0	0	0	112.6	T619 R620 E626 K627 H643	T619-H623 PolarHBondContact O-CD2 2.95Å; T619-H623 VanDerWaalsContact O-CD2 3.25Å; T619-H623 PolarHBondContact O-N 2.9Å; R620-H623 PolarHBondContact O-N 2.73Å; H623-E626 IonicContact ND1-OE2 2.64Å; H623-E626 PolarHBondContact O-N 2.95Å; H623-K627 WeakPolarHBondContact O-CG 3.3Å; H623-K627 PolarHBondContact O-N 2.9Å; H623-H643 AromaticContact CE1-CD2 3.48Å; H623-H643 PolarHBondContact CE1-CD2 2.79Å; H623-H643 VanDerWaalsContact CE1-CD2 3.48Å; H623-H643 AromaticContact CE1-CE1 3.71Å; H623-H643 AromaticContact CE1-CG 3.73Å; H623-H643 AromaticContact CE1-ND1 3.92Å; H623-H643 AromaticContact CE1-NE2 3.47Å; H623-H643 PolarHBondContact CE1-NE2 3.37Å; H623-H643 AromaticContact CG-CE1 3.95Å; H623-H643 AromaticContact ND1-CD2 3.8Å; H623-H643 AromaticContact ND1-CE1 3.5Å; H623-H643 AromaticContact ND1-NE2 3.29Å; H623-H643 PolarHBondContact ND1-NE2 2.77Å
624	F	85.7	Confident	85.9	Confident	8 Å²	8	63 Å²	63	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-46.7	173.8	173.1	-99.5	0	0	0	111.4	V547 Q595 V598 M599 R620 V621 A622 E626 K627 Q628	V547-F624 HydrophobicContact CB-CE2 4.47Å; V547-F624 HydrophobicContact CG1-CE2 4.31Å; V547-F624 HydrophobicContact CG1-CZ 4.02Å; Q595-F624 HydrophobicContact CB-CD1 4.41Å; Q595-F624 HydrophobicContact CB-CE1 3.8Å; Q595-F624 HydrophobicContact CB-CZ 3.83Å; Q595-F624 HydrophobicContact CG-CD1 3.79Å; Q595-F624 HydrophobicContact CG-CE1 3.7Å; Q595-F624 HydrophobicContact CG-CE2 4.45Å; Q595-F624 HydrophobicContact CG-CG 4.19Å; Q595-F624 HydrophobicContact CG-CZ 4.01Å; V598-F624 HydrophobicContact CB-CE1 4.29Å; V598-F624 HydrophobicContact CG1-CE1 4.15Å; M599-F624 HydrophobicContact CE-CE1 3.67Å; M599-F624 HydrophobicContact CE-CE2 4.13Å; M599-F624 HydrophobicContact CE-CZ 3.27Å; M599-F624 HydrophobicContact CG-CZ 4.26Å; M599-F624 HydrophobicContact SD-CZ 4.29Å; R620-F624 PolarHBondContact O-N 2.89Å; R620-F624 VanDerWaalsContact O-N 3.14Å; V621-F624 WeakPolarHBondContact O-CB 3.24Å; V621-F624 PolarHBondContact O-N 2.88Å; A622-F624 VanDerWaalsContact C-N 3.31Å; A622-F624 PolarHBondContact O-N 3.33Å; F624-E626 VanDerWaalsContact C-N 3.33Å; F624-E626 PolarHBondContact O-N 2.92Å; F624-K627 PolarHBondContact O-N 2.89Å; F624-Q628 HydrophobicContact CE1-CG 4.43Å; F624-Q628 HydrophobicContact CE2-CG 4.34Å; F624-Q628 HydrophobicContact CZ-CG 4.31Å; F624-Q628 WeakPolarHBondContact O-CB 3.34Å; F624-Q628 WeakPolarHBondContact O-CG 3.49Å; F624-Q628 PolarHBondContact O-N 3.13Å; F624-Q628 VanDerWaalsContact O-N 3.13Å
625	L	86.9	Confident	85.9	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-40.5	175.8	-72.4	167.1	0	0	0	112.6	Y594 V598 V621 A622 Q628 G629 F630 Q633 A634 V637	Y594-L625 HydrophobicContact CE1-CD1 4.21Å; Y594-L625 HydrophobicContact CE1-CD2 4.36Å; Y594-L625 HydrophobicContact CE1-CG 4.4Å; V598-L625 HydrophobicContact CB-CD2 4.49Å; V598-L625 HydrophobicContact CG1-CD2 3.75Å; V598-L625 HydrophobicContact CG2-CD2 3.88Å; V621-L625 HydrophobicContact CG1-CD1 4.27Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 2.99Å; A622-L625 PolarHBondContact O-N 3.32Å; L625-Q628 PolarHBondContact O-N 3.03Å; L625-G629 PolarHBondContact O-N 3.13Å; L625-F630 HydrophobicContact CB-CB 4.43Å; L625-F630 HydrophobicContact CD2-CB 4.17Å; L625-F630 HydrophobicContact CD2-CD2 4.41Å; L625-F630 WeakPolarHBondContact O-CA 3.29Å; L625-F630 PolarHBondContact O-N 3.01Å; L625-Q633 HydrophobicContact CD1-CB 4.26Å; L625-A634 HydrophobicContact CB-CB 3.76Å; L625-V637 HydrophobicContact CD1-CB 4.25Å; L625-V637 HydrophobicContact CD1-CG2 3.98Å
626	E	87.9	Confident	86	Confident	39 Å²	39	59.5 Å²	59.5	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-48.1	177.8	-178.8	-177.2	-166.4	0	0	111.8	A622 H623 F624 Q628 G629 A634 H643 L647 Q650	A622-E626 PolarHBondContact O-N 3.25Å; H623-E626 IonicContact ND1-OE2 2.64Å; H623-E626 PolarHBondContact O-N 2.95Å; F624-E626 VanDerWaalsContact C-N 3.33Å; F624-E626 PolarHBondContact O-N 2.92Å; E626-Q628 VanDerWaalsContact C-N 3.26Å; E626-Q628 PolarHBondContact O-N 3.05Å; E626-G629 WeakPolarHBondContact O-CA 3.35Å; E626-G629 PolarHBondContact O-N 2.94Å; E626-A634 HydrophobicContact CB-CB 4.37Å; E626-H643 IonicContact OE2-CD2 2.78Å; E626-H643 IonicContact OE2-CE1 3.46Å; E626-H643 IonicContact OE2-NE2 2.74Å; E626-H643 PolarHBondContact OE2-NE2 2.81Å; E626-L647 HydrophobicContact CB-CD2 4.13Å; E626-L647 HydrophobicContact CG-CD2 3.78Å; E626-Q650 PolarHBondContact OE1-NE2 2.8Å; E626-Q650 VanDerWaalsContact OE1-NE2 3.12Å
627	K	85.9	Confident	86.2	Confident	151 Å²	151	51.4 Å²	51.4	66%	0.657	25%	0.254	S	S	*	.	H	α-helix	trans	-62	-36.1	178.8	-72.4	-179.5	178	-176.1	0	112.5	E550 H623 F624 G629	E550-K627 WeakPolarHBondContact OE1-CB 3.32Å; E550-K627 WeakPolarHBondContact OE2-CD 3.15Å; H623-K627 WeakPolarHBondContact O-CG 3.3Å; H623-K627 PolarHBondContact O-N 2.9Å; F624-K627 PolarHBondContact O-N 2.89Å; K627-G629 PolarHBondContact O-N 2.88Å
628	Q	85.2	Confident	86.4	Confident	55 Å²	55	49.5 Å²	49.5	26%	0.257	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-5.3	174.6	-65	-68.2	-32.3	0	0	113.2	E550 M599 F624 L625 E626 F630	E550-Q628 VanDerWaalsContact CD-NE2 3.31Å; E550-Q628 PolarHBondContact OE1-NE2 3.21Å; M599-Q628 HydrophobicContact CE-CB 4.25Å; M599-Q628 HydrophobicContact CE-CG 3.42Å; M599-Q628 VanDerWaalsContact CE-CG 3.42Å; M599-Q628 VanDerWaalsContact CE-OE1 3.27Å; F624-Q628 HydrophobicContact CE1-CG 4.43Å; F624-Q628 HydrophobicContact CE2-CG 4.34Å; F624-Q628 HydrophobicContact CZ-CG 4.31Å; F624-Q628 WeakPolarHBondContact O-CB 3.34Å; F624-Q628 WeakPolarHBondContact O-CG 3.49Å; F624-Q628 PolarHBondContact O-N 3.13Å; F624-Q628 VanDerWaalsContact O-N 3.13Å; L625-Q628 PolarHBondContact O-N 3.03Å; E626-Q628 VanDerWaalsContact C-N 3.26Å; E626-Q628 PolarHBondContact O-N 3.05Å; Q628-F630 HydrophobicContact CB-CD2 3.83Å; Q628-F630 HydrophobicContact CB-CE2 4.1Å
629	G	85.2	Confident	86.5	Confident	49 Å²	49	49.8 Å²	49.8	51%	0.505	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	0.7	177.2	0	0	0	0	0	114.7	L625 E626 K627 K631	L625-G629 PolarHBondContact O-N 3.13Å; E626-G629 WeakPolarHBondContact O-CA 3.35Å; E626-G629 PolarHBondContact O-N 2.94Å; K627-G629 PolarHBondContact O-N 2.88Å; G629-K631 PolarHBondContact O-N 3.2Å
630	F	88.5	Confident	86.6	Confident	59 Å²	59	50.7 Å²	50.7	26%	0.259	26%	0.258	S	S	.	.			trans	-85.5	57.2	179.7	-59	-62.1	0	0	0	112.5	V598 F603 L625 Q628 Q632 Q633 A634	V598-F630 HydrophobicContact CG1-CD2 3.99Å; V598-F630 HydrophobicContact CG1-CE2 4.01Å; F603-F630 HydrophobicContact CE1-CD1 4.48Å; F603-F630 HydrophobicContact CE1-CE1 4.46Å; F603-F630 HydrophobicContact CE1-CZ 4.5Å; F603-F630 HydrophobicContact CZ-CD1 4.1Å; F603-F630 AromaticContact CZ-CE1 3.72Å; F603-F630 HydrophobicContact CZ-CE1 3.72Å; F603-F630 HydrophobicContact CZ-CE2 4.3Å; F603-F630 AromaticContact CZ-CZ 3.83Å; F603-F630 HydrophobicContact CZ-CZ 3.83Å; L625-F630 HydrophobicContact CB-CB 4.43Å; L625-F630 HydrophobicContact CD2-CB 4.17Å; L625-F630 HydrophobicContact CD2-CD2 4.41Å; L625-F630 WeakPolarHBondContact O-CA 3.29Å; L625-F630 PolarHBondContact O-N 3.01Å; Q628-F630 HydrophobicContact CB-CD2 3.83Å; Q628-F630 HydrophobicContact CB-CE2 4.1Å; F630-Q632 VanDerWaalsContact C-N 3.33Å; F630-Q632 PolarHBondContact O-N 3.41Å; F630-Q633 HydrophobicContact CB-CB 4.47Å; F630-Q633 PolarHBondContact O-N 3.47Å; F630-A634 PolarHBondContact O-N 3.05Å
631	K	88.6	Confident	86.8	Confident	75 Å²	75	49.8 Å²	49.8	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-36.6	-173.2	-61.4	-178.3	-176.4	-165.5	0	114.1	G629 A634 L635 L647 Q650 L651	G629-K631 PolarHBondContact O-N 3.2Å; K631-A634 WeakPolarHBondContact O-CB 3.44Å; K631-A634 PolarHBondContact O-N 3.17Å; K631-L635 PolarHBondContact O-N 3.31Å; K631-L647 HydrophobicContact CB-CD2 4.41Å; K631-Q650 HydrophobicContact CD-CB 4.33Å; K631-Q650 VanDerWaalsContact CD-OE1 3.31Å; K631-L651 HydrophobicContact CB-CD1 4.31Å; K631-L651 HydrophobicContact CB-CD2 3.71Å; K631-L651 HydrophobicContact CB-CG 4.02Å
632	Q	86.9	Confident	87	Confident	141 Å²	141	55.1 Å²	55.1	66%	0.659	29%	0.288	S	S	*	.	H	α-helix	trans	-64.8	-42	178.9	-70.6	-177.5	-15.7	0	0	112.4	F630 L635 T636 L651	F630-Q632 VanDerWaalsContact C-N 3.33Å; F630-Q632 PolarHBondContact O-N 3.41Å; Q632-L635 PolarHBondContact O-N 3.22Å; Q632-T636 PolarHBondContact O-N 2.76Å; Q632-T636 PolarHBondContact O-OG1 3Å; Q632-L651 HydrophobicContact CG-CD1 4.14Å; Q632-L651 HydrophobicContact CG-CD2 3.61Å
633	Q	85.4	Confident	87.1	Confident	55 Å²	55	55.4 Å²	55.4	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-72	-39.3	176.7	-67.8	172.1	-12	0	0	110.3	F603 L625 F630 L635 T636 V637	F603-Q633 VanDerWaalsContact CE1-NE2 3.34Å; L625-Q633 HydrophobicContact CD1-CB 4.26Å; F630-Q633 HydrophobicContact CB-CB 4.47Å; F630-Q633 PolarHBondContact O-N 3.47Å; Q633-L635 VanDerWaalsContact C-N 3.27Å; Q633-L635 PolarHBondContact O-N 3.43Å; Q633-T636 PolarHBondContact O-N 2.65Å; Q633-T636 VanDerWaalsContact O-N 3.12Å; Q633-V637 WeakPolarHBondContact O-CG2 3.49Å; Q633-V637 PolarHBondContact O-N 3.12Å
634	A	87.6	Confident	87.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55.3	-42.3	173.8	0	0	0	0	0	111.9	A622 L625 E626 F630 K631 T636 V637 S638 L647	A622-A634 WeakPolarHBondContact O-CB 3.37Å; L625-A634 HydrophobicContact CB-CB 3.76Å; E626-A634 HydrophobicContact CB-CB 4.37Å; F630-A634 PolarHBondContact O-N 3.05Å; K631-A634 WeakPolarHBondContact O-CB 3.44Å; K631-A634 PolarHBondContact O-N 3.17Å; A634-T636 VanDerWaalsContact C-N 3.31Å; A634-T636 PolarHBondContact O-N 2.9Å; A634-V637 PolarHBondContact O-N 2.69Å; A634-S638 VanDerWaalsContact O-CB 3.26Å; A634-S638 WeakPolarHBondContact O-CB 3.39Å; A634-S638 PolarHBondContact O-N 3.19Å; A634-L647 HydrophobicContact CB-CD1 3.77Å; A634-L647 HydrophobicContact CB-CD2 4.22Å
635	L	88.1	Confident	87.6	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-38.4	178.5	-177.6	68.4	0	0	0	112.4	K631 Q632 Q633 R644 L647 A648 L651 I656	K631-L635 PolarHBondContact O-N 3.31Å; Q632-L635 PolarHBondContact O-N 3.22Å; Q633-L635 VanDerWaalsContact C-N 3.27Å; Q633-L635 PolarHBondContact O-N 3.43Å; L635-R644 HydrophobicContact CD1-CB 4.05Å; L635-R644 HydrophobicContact CD1-CG 4.08Å; L635-R644 VanDerWaalsContact CD1-O 3.25Å; L635-R644 WeakPolarHBondContact CD1-O 2.96Å; L635-L647 HydrophobicContact CB-CB 4.4Å; L635-L647 HydrophobicContact CD1-CB 3.95Å; L635-A648 HydrophobicContact CD1-CB 4.14Å; L635-L651 HydrophobicContact CB-CD1 4.11Å; L635-L651 HydrophobicContact CD2-CD1 3.95Å; L635-I656 HydrophobicContact CD2-CD1 3.92Å
636	T	85.4	Confident	87.8	Confident	119 Å²	119	60.2 Å²	60.2	73%	0.73	31%	0.308	S	S	*	.	H	α-helix	trans	-73.8	-34.5	179.8	-48.1	0	0	0	0	112.1	Q632 Q633 A634	Q632-T636 PolarHBondContact O-N 2.76Å; Q632-T636 PolarHBondContact O-OG1 3Å; Q633-T636 PolarHBondContact O-N 2.65Å; Q633-T636 VanDerWaalsContact O-N 3.12Å; A634-T636 VanDerWaalsContact C-N 3.31Å; A634-T636 PolarHBondContact O-N 2.9Å
637	V	86.9	Confident	87.9	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-82.5	-35	-177.7	174.2	0	0	0	0	111.9	L610 R618 V621 A622 L625 Q633 A634 T639	L610-V637 HydrophobicContact CD1-CB 4.48Å; L610-V637 HydrophobicContact CD1-CG1 3.89Å; L610-V637 HydrophobicContact CD1-CG2 3.82Å; L610-V637 HydrophobicContact CD2-CG2 3.95Å; R618-V637 HydrophobicContact CB-CG1 4.17Å; V621-V637 HydrophobicContact CB-CG1 4.27Å; V621-V637 HydrophobicContact CG1-CG1 4.04Å; A622-V637 HydrophobicContact CB-CG1 4.46Å; L625-V637 HydrophobicContact CD1-CB 4.25Å; L625-V637 HydrophobicContact CD1-CG2 3.98Å; Q633-V637 WeakPolarHBondContact O-CG2 3.49Å; Q633-V637 PolarHBondContact O-N 3.12Å; A634-V637 PolarHBondContact O-N 2.69Å; V637-T639 PolarHBondContact O-N 3.44Å
638	S	87.2	Confident	88.2	Confident	5 Å²	5	51.1 Å²	51.1	4%	0.035	27%	0.268	C	S	.	.			trans	-62.3	131.1	-176.7	-170.6	0	0	0	0	111	A634 H643 R644	A634-S638 VanDerWaalsContact O-CB 3.26Å; A634-S638 WeakPolarHBondContact O-CB 3.39Å; A634-S638 PolarHBondContact O-N 3.19Å; S638-H643 PolarHBondContact OG-ND1 2.76Å; S638-H643 VanDerWaalsContact OG-ND1 3.1Å; S638-R644 VanDerWaalsContact O-CD 3.29Å; S638-R644 WeakPolarHBondContact O-CD 3.47Å
639	T	85.9	Confident	88.5	Confident	63 Å²	63	49.8 Å²	49.8	39%	0.387	26%	0.263	S	S	.	.			trans	-100.7	-16	174.5	49.1	0	0	0	0	112.2	R618 T619 V637 P641	R618-T639 HydrophobicContact CB-CG2 4.32Å; T619-T639 PolarHBondContact OG1-OG1 2.97Å; V637-T639 PolarHBondContact O-N 3.44Å; T639-P641 WeakPolarHBondContact O-CD 3.43Å
640	D	88.4	Confident	88.7	Confident	53 Å²	53	51.7 Å²	51.7	28%	0.283	26%	0.258	S	S	.	.			trans	-77.8	121.9	-179.6	174.8	34.3	0	0	0	110.5	T619 E642 H643 R644	T619-D640 HydrophobicContact CG2-CB 4.01Å; D640-E642 VanDerWaalsContact C-N 3.27Å; D640-E642 PolarHBondContact O-N 3.17Å; D640-E642 PolarHBondContact OD1-N 3.13Å; D640-H643 HydrophobicContact CB-CB 4.08Å; D640-H643 WeakPolarHBondContact OD2-CB 3.04Å; D640-H643 PolarHBondContact OD2-N 3.5Å; D640-R644 WeakPolarHBondContact O-CB 3.19Å; D640-R644 WeakPolarHBondContact O-CG 3.48Å; D640-R644 PolarHBondContact O-N 3.01Å
641	P	88.5	Confident	88.8	Confident	67 Å²	67	51 Å²	51	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-34	178.5	-25.3	35.3	0	0	0	113.6	T639 F645 L660	T639-P641 WeakPolarHBondContact O-CD 3.43Å; P641-F645 VanDerWaalsContact O-CB 3.32Å; P641-F645 WeakPolarHBondContact O-CB 3.29Å; P641-F645 PolarHBondContact O-N 3.14Å; P641-L660 HydrophobicContact CB-CD2 4.22Å
642	E	88.6	Confident	88.8	Confident	113 Å²	113	47.8 Å²	47.8	53%	0.528	25%	0.245	S	C	.	.	H	α-helix	trans	-71.5	-51.8	-178.5	-54.1	-147.3	122.8	0	0	111.2	D640 R644 F645 E646 K669	D640-E642 VanDerWaalsContact C-N 3.27Å; D640-E642 PolarHBondContact O-N 3.17Å; D640-E642 PolarHBondContact OD1-N 3.13Å; E642-R644 VanDerWaalsContact C-N 3.32Å; E642-R644 PolarHBondContact O-N 3.3Å; E642-F645 WeakPolarHBondContact O-CB 3.06Å; E642-F645 PolarHBondContact O-N 2.8Å; E642-F645 VanDerWaalsContact O-N 3.08Å; E642-E646 PolarHBondContact O-N 2.93Å; E642-K669 IonicContact OE1-NZ 2.71Å; E642-K669 PolarHBondContact OE1-NZ 3.06Å
643	H	90	Very high	89	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-41.3	174.7	-174.3	-138.9	0	0	0	112.4	H623 E626 S638 D640 F645 E646 L647	H623-H643 AromaticContact CE1-CD2 3.48Å; H623-H643 PolarHBondContact CE1-CD2 2.79Å; H623-H643 VanDerWaalsContact CE1-CD2 3.48Å; H623-H643 AromaticContact CE1-CE1 3.71Å; H623-H643 AromaticContact CE1-CG 3.73Å; H623-H643 AromaticContact CE1-ND1 3.92Å; H623-H643 AromaticContact CE1-NE2 3.47Å; H623-H643 PolarHBondContact CE1-NE2 3.37Å; H623-H643 AromaticContact CG-CE1 3.95Å; H623-H643 AromaticContact ND1-CD2 3.8Å; H623-H643 AromaticContact ND1-CE1 3.5Å; H623-H643 AromaticContact ND1-NE2 3.29Å; H623-H643 PolarHBondContact ND1-NE2 2.77Å; E626-H643 IonicContact OE2-CD2 2.78Å; E626-H643 IonicContact OE2-CE1 3.46Å; E626-H643 IonicContact OE2-NE2 2.74Å; E626-H643 PolarHBondContact OE2-NE2 2.81Å; S638-H643 PolarHBondContact OG-ND1 2.76Å; S638-H643 VanDerWaalsContact OG-ND1 3.1Å; D640-H643 HydrophobicContact CB-CB 4.08Å; D640-H643 WeakPolarHBondContact OD2-CB 3.04Å; D640-H643 PolarHBondContact OD2-N 3.5Å; H643-F645 VanDerWaalsContact C-N 3.3Å; H643-F645 PolarHBondContact O-N 2.84Å; H643-E646 PolarHBondContact O-N 3.39Å; H643-L647 WeakPolarHBondContact O-CB 3.37Å; H643-L647 VanDerWaalsContact O-CG 3.3Å; H643-L647 WeakPolarHBondContact O-CG 3.26Å; H643-L647 PolarHBondContact O-N 2.82Å
644	R	90.4	Very high	89.2	Confident	83 Å²	83	43.1 Å²	43.1	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-38.9	173.8	-84.7	-176.9	68.8	-175.4	-2	112.4	L635 S638 D640 E642 A648 L660	L635-R644 HydrophobicContact CD1-CB 4.05Å; L635-R644 HydrophobicContact CD1-CG 4.08Å; L635-R644 VanDerWaalsContact CD1-O 3.25Å; L635-R644 WeakPolarHBondContact CD1-O 2.96Å; S638-R644 VanDerWaalsContact O-CD 3.29Å; S638-R644 WeakPolarHBondContact O-CD 3.47Å; D640-R644 WeakPolarHBondContact O-CB 3.19Å; D640-R644 WeakPolarHBondContact O-CG 3.48Å; D640-R644 PolarHBondContact O-N 3.01Å; E642-R644 VanDerWaalsContact C-N 3.32Å; E642-R644 PolarHBondContact O-N 3.3Å; R644-A648 VanDerWaalsContact O-CB 3.23Å; R644-A648 WeakPolarHBondContact O-CB 3.32Å; R644-A648 PolarHBondContact O-N 2.93Å; R644-L660 HydrophobicContact CB-CD1 3.7Å
645	F	91.6	Very high	89.3	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-48.4	179.2	177.4	-101.9	0	0	0	110.6	P641 E642 H643 L647 A648 L649 A657 L660 A661 K669 L673	P641-F645 VanDerWaalsContact O-CB 3.32Å; P641-F645 WeakPolarHBondContact O-CB 3.29Å; P641-F645 PolarHBondContact O-N 3.14Å; E642-F645 WeakPolarHBondContact O-CB 3.06Å; E642-F645 PolarHBondContact O-N 2.8Å; E642-F645 VanDerWaalsContact O-N 3.08Å; H643-F645 VanDerWaalsContact C-N 3.3Å; H643-F645 PolarHBondContact O-N 2.84Å; F645-L647 PolarHBondContact O-N 2.89Å; F645-A648 PolarHBondContact O-N 2.82Å; F645-L649 HydrophobicContact CD1-CD1 3.98Å; F645-L649 HydrophobicContact CD1-CG 4.38Å; F645-L649 HydrophobicContact CE1-CD1 3.38Å; F645-L649 HydrophobicContact CE1-CD2 4.49Å; F645-L649 HydrophobicContact CE1-CG 4Å; F645-L649 HydrophobicContact CE2-CD2 4.29Å; F645-L649 HydrophobicContact CE2-CG 4.37Å; F645-L649 HydrophobicContact CZ-CD1 3.7Å; F645-L649 HydrophobicContact CZ-CD2 3.98Å; F645-L649 HydrophobicContact CZ-CG 3.96Å; F645-L649 WeakPolarHBondContact O-CG 3.27Å; F645-L649 PolarHBondContact O-N 2.8Å; F645-A657 HydrophobicContact CD2-CB 4.16Å; F645-A657 HydrophobicContact CE2-CB 4.01Å; F645-A657 WeakPolarHBondContact CE2-O 3.38Å; F645-L660 HydrophobicContact CB-CB 4.36Å; F645-L660 HydrophobicContact CB-CD1 4.16Å; F645-L660 HydrophobicContact CD2-CB 4.13Å; F645-A661 HydrophobicContact CE2-CB 4.13Å; F645-K669 HydrophobicContact CD1-CB 4.45Å; F645-K669 HydrophobicContact CD1-CD 4.16Å; F645-K669 HydrophobicContact CD1-CG 4.06Å; F645-K669 HydrophobicContact CE1-CB 3.73Å; F645-K669 HydrophobicContact CE1-CD 4.28Å; F645-K669 HydrophobicContact CE1-CG 3.71Å; F645-K669 HydrophobicContact CE2-CB 4.27Å; F645-K669 HydrophobicContact CG-CD 4.46Å; F645-K669 HydrophobicContact CZ-CB 3.64Å; F645-K669 HydrophobicContact CZ-CG 4.16Å; F645-K669 WeakPolarHBondContact CZ-O 3.38Å; F645-L673 HydrophobicContact CZ-CB 4.43Å
646	E	90.8	Very high	89.3	Confident	104 Å²	104	52.7 Å²	52.7	49%	0.486	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-44.9	176.3	-67.5	-173.6	170.4	0	0	112.3	E642 H643 A648 L649 Q650	E642-E646 PolarHBondContact O-N 2.93Å; H643-E646 PolarHBondContact O-N 3.39Å; E646-A648 VanDerWaalsContact C-N 3.34Å; E646-A648 PolarHBondContact O-N 2.84Å; E646-L649 WeakPolarHBondContact O-CB 3.22Å; E646-L649 PolarHBondContact O-N 2.92Å; E646-Q650 WeakPolarHBondContact O-CG 3.31Å; E646-Q650 PolarHBondContact O-N 2.78Å
647	L	91.4	Very high	89.5	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-42.1	176	-73.7	173.7	0	0	0	112.1	E626 K631 A634 L635 H643 F645 L649 Q650 L651	E626-L647 HydrophobicContact CB-CD2 4.13Å; E626-L647 HydrophobicContact CG-CD2 3.78Å; K631-L647 HydrophobicContact CB-CD2 4.41Å; A634-L647 HydrophobicContact CB-CD1 3.77Å; A634-L647 HydrophobicContact CB-CD2 4.22Å; L635-L647 HydrophobicContact CB-CB 4.4Å; L635-L647 HydrophobicContact CD1-CB 3.95Å; H643-L647 WeakPolarHBondContact O-CB 3.37Å; H643-L647 VanDerWaalsContact O-CG 3.3Å; H643-L647 WeakPolarHBondContact O-CG 3.26Å; H643-L647 PolarHBondContact O-N 2.82Å; F645-L647 PolarHBondContact O-N 2.89Å; L647-L649 VanDerWaalsContact C-N 3.32Å; L647-L649 PolarHBondContact O-N 3.04Å; L647-Q650 PolarHBondContact O-N 2.82Å; L647-L651 WeakPolarHBondContact O-CB 3.44Å; L647-L651 WeakPolarHBondContact O-CG 3.43Å; L647-L651 PolarHBondContact O-N 3.3Å
648	A	91.6	Very high	89.7	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-38.9	176.5	0	0	0	0	0	111.3	L635 R644 F645 E646 L651 G652 E653 I656 A657	L635-A648 HydrophobicContact CD1-CB 4.14Å; R644-A648 VanDerWaalsContact O-CB 3.23Å; R644-A648 WeakPolarHBondContact O-CB 3.32Å; R644-A648 PolarHBondContact O-N 2.93Å; F645-A648 PolarHBondContact O-N 2.82Å; E646-A648 VanDerWaalsContact C-N 3.34Å; E646-A648 PolarHBondContact O-N 2.84Å; A648-L651 PolarHBondContact O-N 3.02Å; A648-G652 CarbonylContact O-C 3.56Å; A648-G652 WeakPolarHBondContact O-CA 3.06Å; A648-G652 PolarHBondContact O-N 2.95Å; A648-E653 HydrophobicContact CB-CB 4.38Å; A648-E653 PolarHBondContact O-N 3.29Å; A648-I656 HydrophobicContact CB-CB 4.4Å; A648-I656 HydrophobicContact CB-CG2 4.26Å; A648-A657 HydrophobicContact CB-CB 3.99Å
649	L	91.1	Very high	89.9	Confident	27 Å²	27	55.4 Å²	55.4	14%	0.141	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-47.5	173.9	-69.4	-179.3	0	0	0	111.5	F645 E646 L647 L651 G652 A657 Q672 L673 L676	F645-L649 HydrophobicContact CD1-CD1 3.98Å; F645-L649 HydrophobicContact CD1-CG 4.38Å; F645-L649 HydrophobicContact CE1-CD1 3.38Å; F645-L649 HydrophobicContact CE1-CD2 4.49Å; F645-L649 HydrophobicContact CE1-CG 4Å; F645-L649 HydrophobicContact CE2-CD2 4.29Å; F645-L649 HydrophobicContact CE2-CG 4.37Å; F645-L649 HydrophobicContact CZ-CD1 3.7Å; F645-L649 HydrophobicContact CZ-CD2 3.98Å; F645-L649 HydrophobicContact CZ-CG 3.96Å; F645-L649 WeakPolarHBondContact O-CG 3.27Å; F645-L649 PolarHBondContact O-N 2.8Å; E646-L649 WeakPolarHBondContact O-CB 3.22Å; E646-L649 PolarHBondContact O-N 2.92Å; L647-L649 VanDerWaalsContact C-N 3.32Å; L647-L649 PolarHBondContact O-N 3.04Å; L649-L651 VanDerWaalsContact C-N 3.33Å; L649-L651 PolarHBondContact O-N 2.88Å; L649-G652 PolarHBondContact O-N 3.05Å; L649-A657 HydrophobicContact CD2-CB 4.2Å; L649-Q672 HydrophobicContact CD1-CB 3.8Å; L649-L673 HydrophobicContact CD2-CB 4.45Å; L649-L673 HydrophobicContact CD2-CD1 4.13Å; L649-L676 HydrophobicContact CB-CD2 4.17Å; L649-L676 HydrophobicContact CD2-CB 4.34Å; L649-L676 HydrophobicContact CD2-CD2 3.46Å; L649-L676 VanDerWaalsContact CD2-CD2 3.46Å; L649-L676 HydrophobicContact CG-CD2 4.41Å; L649-L676 WeakPolarHBondContact O-CD2 3.5Å
650	Q	89.6	Confident	90	Very high	88 Å²	88	53 Å²	53	41%	0.411	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-36.1	179.7	-68.5	179.7	26.6	0	0	112.9	E626 K631 E646 L647 G652	E626-Q650 PolarHBondContact OE1-NE2 2.8Å; E626-Q650 VanDerWaalsContact OE1-NE2 3.12Å; K631-Q650 HydrophobicContact CD-CB 4.33Å; K631-Q650 VanDerWaalsContact CD-OE1 3.31Å; E646-Q650 WeakPolarHBondContact O-CG 3.31Å; E646-Q650 PolarHBondContact O-N 2.78Å; L647-Q650 PolarHBondContact O-N 2.82Å; Q650-G652 VanDerWaalsContact C-N 3.31Å
651	L	89.9	Confident	90.1	Very high	45 Å²	45	50.4 Å²	50.4	24%	0.236	24%	0.238	C	C	.	.	H	α-helix	trans	-79.2	-17.8	174.8	-70.5	169.6	0	0	0	112.6	K631 Q632 L635 L647 A648 L649 E653	K631-L651 HydrophobicContact CB-CD1 4.31Å; K631-L651 HydrophobicContact CB-CD2 3.71Å; K631-L651 HydrophobicContact CB-CG 4.02Å; Q632-L651 HydrophobicContact CG-CD1 4.14Å; Q632-L651 HydrophobicContact CG-CD2 3.61Å; L635-L651 HydrophobicContact CB-CD1 4.11Å; L635-L651 HydrophobicContact CD2-CD1 3.95Å; L647-L651 WeakPolarHBondContact O-CB 3.44Å; L647-L651 WeakPolarHBondContact O-CG 3.43Å; L647-L651 PolarHBondContact O-N 3.3Å; A648-L651 PolarHBondContact O-N 3.02Å; L649-L651 VanDerWaalsContact C-N 3.33Å; L649-L651 PolarHBondContact O-N 2.88Å; L651-E653 HydrophobicContact CB-CG 4.12Å
652	G	89.6	Confident	90.1	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	24.1	-175	0	0	0	0	0	114.1	A648 L649 Q650 L654 K680	A648-G652 CarbonylContact O-C 3.56Å; A648-G652 WeakPolarHBondContact O-CA 3.06Å; A648-G652 PolarHBondContact O-N 2.95Å; L649-G652 PolarHBondContact O-N 3.05Å; Q650-G652 VanDerWaalsContact C-N 3.31Å; G652-L654 VanDerWaalsContact C-N 3.34Å; G652-L654 PolarHBondContact O-N 2.96Å; G652-K680 VanDerWaalsContact C-NZ 3.32Å; G652-K680 VanDerWaalsContact CA-NZ 3.27Å; G652-K680 WeakPolarHBondContact O-CE 3.48Å; G652-K680 PolarHBondContact O-NZ 2.96Å
653	E	90.6	Very high	90.2	Very high	90 Å²	90	52 Å²	52	42%	0.421	24%	0.244	S	C	.	.			trans	-81	78.3	178.9	-72.5	-64.2	167.1	0	0	111	A648 L651 K655 I656 A657	A648-E653 HydrophobicContact CB-CB 4.38Å; A648-E653 PolarHBondContact O-N 3.29Å; L651-E653 HydrophobicContact CB-CG 4.12Å; E653-K655 VanDerWaalsContact C-N 3.28Å; E653-K655 PolarHBondContact O-N 3.28Å; E653-I656 HydrophobicContact CB-CD1 4.37Å; E653-I656 PolarHBondContact O-N 2.8Å; E653-A657 PolarHBondContact O-N 3.22Å; E653-A657 VanDerWaalsContact O-N 3.09Å
654	L	89.3	Confident	90	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-58.9	-34	-172	-70.3	171.4	0	0	0	114.1	G652 Y658 L673 L676 A677 K680 Q682 L685	G652-L654 VanDerWaalsContact C-N 3.34Å; G652-L654 PolarHBondContact O-N 2.96Å; L654-Y658 VanDerWaalsContact O-CB 3.27Å; L654-Y658 WeakPolarHBondContact O-CB 3.42Å; L654-Y658 PolarHBondContact O-N 2.8Å; L654-L673 HydrophobicContact CD2-CD1 3.66Å; L654-L676 HydrophobicContact CD2-CB 4.31Å; L654-L676 HydrophobicContact CD2-CD2 3.75Å; L654-L676 HydrophobicContact CD2-CG 3.81Å; L654-A677 HydrophobicContact CD2-CB 4.24Å; L654-K680 HydrophobicContact CD1-CB 4.15Å; L654-K680 HydrophobicContact CD1-CD 3.89Å; L654-K680 HydrophobicContact CG-CD 4.33Å; L654-Q682 HydrophobicContact CD1-CB 4.37Å; L654-Q682 HydrophobicContact CD1-CG 4.09Å; L654-L685 HydrophobicContact CB-CD2 3.87Å; L654-L685 HydrophobicContact CD1-CD2 4.25Å; L654-L685 HydrophobicContact CD2-CD2 4.19Å; L654-L685 HydrophobicContact CG-CD2 4.33Å
655	K	89.5	Confident	89.7	Confident	173 Å²	173	57.8 Å²	57.8	75%	0.752	28%	0.282	S	S	*	.	H	α-helix	trans	-66.4	-44.9	-179.2	-67.7	-178	179.3	179.7	0	112.2	E653 Y658 Q659	E653-K655 VanDerWaalsContact C-N 3.28Å; E653-K655 PolarHBondContact O-N 3.28Å; K655-Y658 PolarHBondContact O-N 2.85Å; K655-Q659 WeakPolarHBondContact O-CG 3.37Å; K655-Q659 PolarHBondContact O-N 3.14Å
656	I	88.9	Confident	89.6	Confident	44 Å²	44	59.4 Å²	59.4	23%	0.226	29%	0.294	C	S	.	.	H	α-helix	trans	-71	-43.5	-179.6	-62.2	172.4	0	0	0	109.1	L635 A648 E653 Y658 Q659 L660	L635-I656 HydrophobicContact CD2-CD1 3.92Å; A648-I656 HydrophobicContact CB-CB 4.4Å; A648-I656 HydrophobicContact CB-CG2 4.26Å; E653-I656 HydrophobicContact CB-CD1 4.37Å; E653-I656 PolarHBondContact O-N 2.8Å; I656-Y658 VanDerWaalsContact C-N 3.3Å; I656-Y658 PolarHBondContact O-N 3.06Å; I656-Q659 PolarHBondContact O-N 3Å; I656-L660 HydrophobicContact CG2-CD1 3.94Å; I656-L660 WeakPolarHBondContact O-CG 3.3Å; I656-L660 PolarHBondContact O-N 2.9Å; I656-L660 VanDerWaalsContact O-N 3.08Å
657	A	90.3	Very high	89.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-38.2	176.6	0	0	0	0	0	112.2	F645 A648 L649 E653 L660 A661 L673	F645-A657 HydrophobicContact CD2-CB 4.16Å; F645-A657 HydrophobicContact CE2-CB 4.01Å; F645-A657 WeakPolarHBondContact CE2-O 3.38Å; A648-A657 HydrophobicContact CB-CB 3.99Å; L649-A657 HydrophobicContact CD2-CB 4.2Å; E653-A657 PolarHBondContact O-N 3.22Å; E653-A657 VanDerWaalsContact O-N 3.09Å; A657-L660 PolarHBondContact O-N 3.11Å; A657-A661 VanDerWaalsContact O-CB 3.29Å; A657-A661 WeakPolarHBondContact O-CB 3.38Å; A657-A661 PolarHBondContact O-N 2.77Å; A657-L673 HydrophobicContact CB-CD1 3.63Å
658	Y	90.7	Very high	89.5	Confident	69 Å²	69	65.8 Å²	65.8	27%	0.271	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-48.8	174.6	-178	-95	0	0	0	112.3	L654 K655 I656 L660 A661 V662 W670 L673 L685	L654-Y658 VanDerWaalsContact O-CB 3.27Å; L654-Y658 WeakPolarHBondContact O-CB 3.42Å; L654-Y658 PolarHBondContact O-N 2.8Å; K655-Y658 PolarHBondContact O-N 2.85Å; I656-Y658 VanDerWaalsContact C-N 3.3Å; I656-Y658 PolarHBondContact O-N 3.06Å; Y658-L660 VanDerWaalsContact C-N 3.31Å; Y658-L660 PolarHBondContact O-N 2.97Å; Y658-A661 PolarHBondContact O-N 3.48Å; Y658-A661 VanDerWaalsContact O-N 3.14Å; Y658-V662 HydrophobicContact CD1-CG2 4.07Å; Y658-V662 HydrophobicContact CE1-CG2 3.67Å; Y658-V662 HydrophobicContact CE2-CG2 4.46Å; Y658-V662 WeakPolarHBondContact O-CG2 3.48Å; Y658-V662 PolarHBondContact O-N 2.74Å; Y658-W670 AromaticContact CD2-CH2 3.84Å; Y658-W670 HydrophobicContact CD2-CH2 3.84Å; Y658-W670 AromaticContact CD2-CZ3 3.57Å; Y658-W670 HydrophobicContact CD2-CZ3 3.57Å; Y658-W670 AromaticContact CE2-CH2 3.6Å; Y658-W670 HydrophobicContact CE2-CH2 3.6Å; Y658-W670 AromaticContact CE2-CZ3 3.56Å; Y658-W670 HydrophobicContact CE2-CZ3 3.56Å; Y658-L673 HydrophobicContact CD2-CD2 4.15Å; Y658-L685 HydrophobicContact CD2-CD1 3.46Å; Y658-L685 VanDerWaalsContact CD2-CD1 3.46Å; Y658-L685 HydrophobicContact CE2-CD1 3.86Å; Y658-L685 HydrophobicContact CG-CD1 4.16Å
659	Q	90.8	Very high	89.4	Confident	119 Å²	119	67.3 Å²	67.3	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-57.4	-45.1	177.9	-72.7	175.1	-20.3	0	0	111.8	K655 I656 A661 V662 E663	K655-Q659 WeakPolarHBondContact O-CG 3.37Å; K655-Q659 PolarHBondContact O-N 3.14Å; I656-Q659 PolarHBondContact O-N 3Å; Q659-A661 VanDerWaalsContact C-N 3.34Å; Q659-A661 PolarHBondContact O-N 2.97Å; Q659-V662 PolarHBondContact O-N 2.7Å; Q659-E663 WeakPolarHBondContact O-CG 3.33Å; Q659-E663 PolarHBondContact O-N 3.38Å; Q659-E663 VanDerWaalsContact O-N 3.09Å
660	L	89.3	Confident	89.5	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-32.4	178	-66.1	170.5	0	0	0	112.7	P641 R644 F645 I656 A657 Y658 A664	P641-L660 HydrophobicContact CB-CD2 4.22Å; R644-L660 HydrophobicContact CB-CD1 3.7Å; F645-L660 HydrophobicContact CB-CB 4.36Å; F645-L660 HydrophobicContact CB-CD1 4.16Å; F645-L660 HydrophobicContact CD2-CB 4.13Å; I656-L660 HydrophobicContact CG2-CD1 3.94Å; I656-L660 WeakPolarHBondContact O-CG 3.3Å; I656-L660 PolarHBondContact O-N 2.9Å; I656-L660 VanDerWaalsContact O-N 3.08Å; A657-L660 PolarHBondContact O-N 3.11Å; Y658-L660 VanDerWaalsContact C-N 3.31Å; Y658-L660 PolarHBondContact O-N 2.97Å; L660-A664 WeakPolarHBondContact O-CB 3.42Å; L660-A664 PolarHBondContact O-N 2.64Å; L660-A664 VanDerWaalsContact O-N 3.12Å
661	A	89.3	Confident	89.5	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69.9	-36.6	174.8	0	0	0	0	0	112.1	F645 A657 Y658 Q659 A664 E665 W670 L673	F645-A661 HydrophobicContact CE2-CB 4.13Å; A657-A661 VanDerWaalsContact O-CB 3.29Å; A657-A661 WeakPolarHBondContact O-CB 3.38Å; A657-A661 PolarHBondContact O-N 2.77Å; Y658-A661 PolarHBondContact O-N 3.48Å; Y658-A661 VanDerWaalsContact O-N 3.14Å; Q659-A661 VanDerWaalsContact C-N 3.34Å; Q659-A661 PolarHBondContact O-N 2.97Å; A661-A664 PolarHBondContact O-N 3.25Å; A661-E665 PolarHBondContact O-N 3.12Å; A661-E665 VanDerWaalsContact O-N 3.09Å; A661-W670 HydrophobicContact CB-CD2 4Å; A661-W670 HydrophobicContact CB-CE3 3.93Å; A661-W670 HydrophobicContact CB-CH2 3.91Å; A661-W670 HydrophobicContact CB-CZ2 3.95Å; A661-W670 HydrophobicContact CB-CZ3 3.89Å; A661-L673 HydrophobicContact CB-CD2 4.11Å
662	V	89.8	Confident	89.6	Confident	65 Å²	65	68 Å²	68	39%	0.394	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-47.5	172.7	174.6	0	0	0	0	110.6	Y658 Q659 A664 E665 W670	Y658-V662 HydrophobicContact CD1-CG2 4.07Å; Y658-V662 HydrophobicContact CE1-CG2 3.67Å; Y658-V662 HydrophobicContact CE2-CG2 4.46Å; Y658-V662 WeakPolarHBondContact O-CG2 3.48Å; Y658-V662 PolarHBondContact O-N 2.74Å; Q659-V662 PolarHBondContact O-N 2.7Å; V662-A664 VanDerWaalsContact C-N 3.29Å; V662-A664 PolarHBondContact O-N 3.27Å; V662-E665 VanDerWaalsContact O-CG 3.31Å; V662-E665 WeakPolarHBondContact O-CG 3.39Å; V662-W670 HydrophobicContact CB-CZ2 4.43Å; V662-W670 HydrophobicContact CG2-CH2 3.59Å; V662-W670 HydrophobicContact CG2-CZ2 3.86Å
663	E	89.4	Confident	89.8	Confident	149 Å²	149	67.6 Å²	67.6	70%	0.696	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-33.3	179.4	-71.5	173.5	-175.1	0	0	113.1	Q659	Q659-E663 WeakPolarHBondContact O-CG 3.33Å; Q659-E663 PolarHBondContact O-N 3.38Å; Q659-E663 VanDerWaalsContact O-N 3.09Å
664	A	86.8	Confident	89.8	Confident	44 Å²	44	63.4 Å²	63.4	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-88.4	-17.4	-176	0	0	0	0	0	114.6	L660 A661 V662 S666 K669	L660-A664 WeakPolarHBondContact O-CB 3.42Å; L660-A664 PolarHBondContact O-N 2.64Å; L660-A664 VanDerWaalsContact O-N 3.12Å; A661-A664 PolarHBondContact O-N 3.25Å; V662-A664 VanDerWaalsContact C-N 3.29Å; V662-A664 PolarHBondContact O-N 3.27Å; A664-S666 PolarHBondContact O-N 2.8Å; A664-K669 HydrophobicContact CB-CD 3.86Å
665	E	84	Confident	89.8	Confident	166 Å²	166	69.5 Å²	69.5	78%	0.776	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	30.8	-178.3	-60.4	-170.9	161.6	0	0	115.2	A661 V662	A661-E665 PolarHBondContact O-N 3.12Å; A661-E665 VanDerWaalsContact O-N 3.09Å; V662-E665 VanDerWaalsContact O-CG 3.31Å; V662-E665 WeakPolarHBondContact O-CG 3.39Å
666	S	89.9	Confident	89.9	Confident	37 Å²	37	62.6 Å²	62.6	26%	0.259	31%	0.306	S	S	.	.			trans	-98.2	124.1	-174.9	177.7	0	0	0	0	112.4	A664 Q668 K669 W670	A664-S666 PolarHBondContact O-N 2.8Å; S666-Q668 PolarHBondContact O-N 2.8Å; S666-K669 PolarHBondContact O-N 2.68Å; S666-W670 PolarHBondContact O-N 3.23Å; S666-W670 VanDerWaalsContact O-N 3.13Å
667	E	88.4	Confident	90	Very high	92 Å²	92	60.5 Å²	60.5	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-55.4	-37.5	177.7	-65	-179.1	-175.3	0	0	113.2	W670 K671	E667-W670 PolarHBondContact O-N 2.87Å; E667-K671 WeakPolarHBondContact O-CG 3.5Å; E667-K671 PolarHBondContact O-N 2.88Å
668	Q	90.3	Very high	90	Very high	147 Å²	147	64 Å²	64	69%	0.687	31%	0.313	S	S	*	.	H	α-helix	trans	-67.4	-42	-179.3	-67.7	-177.7	-7.6	0	0	111.7	S666 W670 K671 Q672	S666-Q668 PolarHBondContact O-N 2.8Å; Q668-W670 VanDerWaalsContact C-N 3.31Å; Q668-W670 PolarHBondContact O-N 3.3Å; Q668-K671 PolarHBondContact O-N 3.06Å; Q668-Q672 WeakPolarHBondContact O-CG 3.47Å; Q668-Q672 PolarHBondContact O-N 3.11Å; Q668-Q672 VanDerWaalsContact O-N 3.09Å
669	K	90	Very high	89.9	Confident	31 Å²	31	64.7 Å²	64.7	14%	0.135	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-40.5	176.7	-67.1	-175.9	-178.6	171.8	0	110.3	E642 F645 A664 S666 K671 Q672 L673	E642-K669 IonicContact OE1-NZ 2.71Å; E642-K669 PolarHBondContact OE1-NZ 3.06Å; F645-K669 HydrophobicContact CD1-CB 4.45Å; F645-K669 HydrophobicContact CD1-CD 4.16Å; F645-K669 HydrophobicContact CD1-CG 4.06Å; F645-K669 HydrophobicContact CE1-CB 3.73Å; F645-K669 HydrophobicContact CE1-CD 4.28Å; F645-K669 HydrophobicContact CE1-CG 3.71Å; F645-K669 HydrophobicContact CE2-CB 4.27Å; F645-K669 HydrophobicContact CG-CD 4.46Å; F645-K669 HydrophobicContact CZ-CB 3.64Å; F645-K669 HydrophobicContact CZ-CG 4.16Å; F645-K669 WeakPolarHBondContact CZ-O 3.38Å; A664-K669 HydrophobicContact CB-CD 3.86Å; S666-K669 PolarHBondContact O-N 2.68Å; K669-K671 PolarHBondContact O-N 2.93Å; K669-Q672 PolarHBondContact O-N 2.99Å; K669-L673 WeakPolarHBondContact O-CB 3.31Å; K669-L673 PolarHBondContact O-N 2.91Å
670	W	92.9	Very high	89.9	Confident	10 Å²	10	63.8 Å²	63.8	4%	0.038	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-39.3	174.3	-72.5	119.7	0	0	0	113.5	Y658 A661 V662 S666 E667 Q668 L673 A674 C689 H692 A693	Y658-W670 AromaticContact CD2-CH2 3.84Å; Y658-W670 HydrophobicContact CD2-CH2 3.84Å; Y658-W670 AromaticContact CD2-CZ3 3.57Å; Y658-W670 HydrophobicContact CD2-CZ3 3.57Å; Y658-W670 AromaticContact CE2-CH2 3.6Å; Y658-W670 HydrophobicContact CE2-CH2 3.6Å; Y658-W670 AromaticContact CE2-CZ3 3.56Å; Y658-W670 HydrophobicContact CE2-CZ3 3.56Å; A661-W670 HydrophobicContact CB-CD2 4Å; A661-W670 HydrophobicContact CB-CE3 3.93Å; A661-W670 HydrophobicContact CB-CH2 3.91Å; A661-W670 HydrophobicContact CB-CZ2 3.95Å; A661-W670 HydrophobicContact CB-CZ3 3.89Å; V662-W670 HydrophobicContact CB-CZ2 4.43Å; V662-W670 HydrophobicContact CG2-CH2 3.59Å; V662-W670 HydrophobicContact CG2-CZ2 3.86Å; S666-W670 PolarHBondContact O-N 3.23Å; S666-W670 VanDerWaalsContact O-N 3.13Å; E667-W670 PolarHBondContact O-N 2.87Å; Q668-W670 VanDerWaalsContact C-N 3.31Å; Q668-W670 PolarHBondContact O-N 3.3Å; W670-L673 HydrophobicContact CE3-CD2 4.13Å; W670-L673 HydrophobicContact CZ3-CD2 3.98Å; W670-A674 WeakPolarHBondContact O-CB 3.42Å; W670-A674 PolarHBondContact O-N 3.42Å; W670-C689 HydrophobicContact CE3-CB 3.95Å; W670-C689 HydrophobicContact CZ3-CB 4.5Å; W670-H692 HydrophobicContact CB-CB 4.44Å; W670-H692 HydrophobicContact CD2-CB 3.69Å; W670-H692 HydrophobicContact CE3-CB 4.27Å; W670-H692 HydrophobicContact CG-CB 3.76Å; W670-H692 HydrophobicContact CZ2-CB 4.32Å; W670-A693 HydrophobicContact CB-CB 3.73Å
671	K	90.9	Very high	89.9	Confident	79 Å²	79	67.5 Å²	67.5	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-64.4	-47.8	174.7	-71.7	-177.8	177	168.8	0	112.4	E667 Q668 K669 L673 A674 E675 A693	E667-K671 WeakPolarHBondContact O-CG 3.5Å; E667-K671 PolarHBondContact O-N 2.88Å; Q668-K671 PolarHBondContact O-N 3.06Å; K669-K671 PolarHBondContact O-N 2.93Å; K671-L673 VanDerWaalsContact C-N 3.3Å; K671-L673 PolarHBondContact O-N 2.97Å; K671-A674 WeakPolarHBondContact O-CB 3.24Å; K671-A674 PolarHBondContact O-N 2.86Å; K671-A674 VanDerWaalsContact O-N 3.13Å; K671-E675 WeakPolarHBondContact O-CG 3.31Å; K671-E675 PolarHBondContact O-N 2.9Å; K671-A693 HydrophobicContact CG-CB 3.58Å
672	Q	91.4	Very high	89.8	Confident	85 Å²	85	72 Å²	72	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-40.6	178.6	-68.3	176.7	-3.5	0	0	111.7	L649 Q668 K669 E675 L676	L649-Q672 HydrophobicContact CD1-CB 3.8Å; Q668-Q672 WeakPolarHBondContact O-CG 3.47Å; Q668-Q672 PolarHBondContact O-N 3.11Å; Q668-Q672 VanDerWaalsContact O-N 3.09Å; K669-Q672 PolarHBondContact O-N 2.99Å; Q672-E675 PolarHBondContact O-N 2.87Å; Q672-L676 PolarHBondContact O-N 3.18Å; Q672-L676 VanDerWaalsContact O-N 3.14Å
673	L	92.8	Very high	89.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-39.4	174.5	-177	59.1	0	0	0	111.9	F645 L649 L654 A657 Y658 A661 K669 W670 K671 L676 A677 C689	F645-L673 HydrophobicContact CZ-CB 4.43Å; L649-L673 HydrophobicContact CD2-CB 4.45Å; L649-L673 HydrophobicContact CD2-CD1 4.13Å; L654-L673 HydrophobicContact CD2-CD1 3.66Å; A657-L673 HydrophobicContact CB-CD1 3.63Å; Y658-L673 HydrophobicContact CD2-CD2 4.15Å; A661-L673 HydrophobicContact CB-CD2 4.11Å; K669-L673 WeakPolarHBondContact O-CB 3.31Å; K669-L673 PolarHBondContact O-N 2.91Å; W670-L673 HydrophobicContact CE3-CD2 4.13Å; W670-L673 HydrophobicContact CZ3-CD2 3.98Å; K671-L673 VanDerWaalsContact C-N 3.3Å; K671-L673 PolarHBondContact O-N 2.97Å; L673-L676 PolarHBondContact O-N 3.44Å; L673-A677 VanDerWaalsContact O-CB 3.3Å; L673-A677 WeakPolarHBondContact O-CB 3.42Å; L673-A677 PolarHBondContact O-N 2.94Å; L673-C689 VanDerWaalsContact CD2-SG 3.58Å
674	A	90.4	Very high	89.4	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-46	176	0	0	0	0	0	112	W670 K671 L676 A677 I678 C689 L690	W670-A674 WeakPolarHBondContact O-CB 3.42Å; W670-A674 PolarHBondContact O-N 3.42Å; K671-A674 WeakPolarHBondContact O-CB 3.24Å; K671-A674 PolarHBondContact O-N 2.86Å; K671-A674 VanDerWaalsContact O-N 3.13Å; A674-L676 VanDerWaalsContact C-N 3.32Å; A674-L676 PolarHBondContact O-N 3.17Å; A674-A677 PolarHBondContact O-N 2.91Å; A674-I678 WeakPolarHBondContact O-CB 3.21Å; A674-I678 VanDerWaalsContact O-CG1 3.22Å; A674-I678 WeakPolarHBondContact O-CG1 3.36Å; A674-I678 PolarHBondContact O-N 2.79Å; A674-C689 HydrophobicContact CB-CB 3.73Å; A674-L690 HydrophobicContact CB-CD2 3.71Å; A674-L690 HydrophobicContact CB-CG 3.76Å
675	E	90	Very high	89.5	Confident	136 Å²	136	68.7 Å²	68.7	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-58.1	-45.4	176.4	-73.1	177.3	-173.1	0	0	111.5	K671 Q672 I678 S679	K671-E675 WeakPolarHBondContact O-CG 3.31Å; K671-E675 PolarHBondContact O-N 2.9Å; Q672-E675 PolarHBondContact O-N 2.87Å; E675-I678 PolarHBondContact O-N 3.1Å; E675-S679 PolarHBondContact O-N 3.43Å
676	L	91.4	Very high	89.7	Confident	29 Å²	29	60.8 Å²	60.8	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-43.2	176.2	-177.2	65.9	0	0	0	112	L649 L654 Q672 L673 A674 I678 S679 K680	L649-L676 HydrophobicContact CB-CD2 4.17Å; L649-L676 HydrophobicContact CD2-CB 4.34Å; L649-L676 HydrophobicContact CD2-CD2 3.46Å; L649-L676 VanDerWaalsContact CD2-CD2 3.46Å; L649-L676 HydrophobicContact CG-CD2 4.41Å; L649-L676 WeakPolarHBondContact O-CD2 3.5Å; L654-L676 HydrophobicContact CD2-CB 4.31Å; L654-L676 HydrophobicContact CD2-CD2 3.75Å; L654-L676 HydrophobicContact CD2-CG 3.81Å; Q672-L676 PolarHBondContact O-N 3.18Å; Q672-L676 VanDerWaalsContact O-N 3.14Å; L673-L676 PolarHBondContact O-N 3.44Å; A674-L676 VanDerWaalsContact C-N 3.32Å; A674-L676 PolarHBondContact O-N 3.17Å; L676-I678 VanDerWaalsContact C-N 3.32Å; L676-I678 PolarHBondContact O-N 3.12Å; L676-S679 PolarHBondContact O-N 2.97Å; L676-S679 PolarHBondContact O-OG 2.96Å; L676-K680 PolarHBondContact O-N 3.09Å
677	A	91.6	Very high	89.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-40	176.5	0	0	0	0	0	111.6	L654 L673 A674 K680 C681 Q682 L685 A686	L654-A677 HydrophobicContact CD2-CB 4.24Å; L673-A677 VanDerWaalsContact O-CB 3.3Å; L673-A677 WeakPolarHBondContact O-CB 3.42Å; L673-A677 PolarHBondContact O-N 2.94Å; A674-A677 PolarHBondContact O-N 2.91Å; A677-K680 CarbonylContact O-C 2.79Å; A677-K680 PolarHBondContact O-N 3.2Å; A677-C681 PolarHBondContact O-N 3.34Å; A677-C681 VanDerWaalsContact O-N 3.15Å; A677-Q682 PolarHBondContact O-N 3.23Å; A677-L685 HydrophobicContact CB-CB 4.43Å; A677-L685 HydrophobicContact CB-CD2 4.24Å; A677-L685 HydrophobicContact CB-CG 4.34Å; A677-A686 HydrophobicContact CB-CB 3.93Å
678	I	89.3	Confident	89.3	Confident	74 Å²	74	62.7 Å²	62.7	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-46.4	173.4	-68.4	164.5	0	0	0	110.2	A674 E675 L676 K680 C681 A686 L690	A674-I678 WeakPolarHBondContact O-CB 3.21Å; A674-I678 VanDerWaalsContact O-CG1 3.22Å; A674-I678 WeakPolarHBondContact O-CG1 3.36Å; A674-I678 PolarHBondContact O-N 2.79Å; E675-I678 PolarHBondContact O-N 3.1Å; L676-I678 VanDerWaalsContact C-N 3.32Å; L676-I678 PolarHBondContact O-N 3.12Å; I678-K680 PolarHBondContact O-N 3.37Å; I678-C681 PolarHBondContact O-N 3.46Å; I678-A686 HydrophobicContact CD1-CB 4.49Å; I678-A686 HydrophobicContact CG1-CB 3.7Å; I678-L690 HydrophobicContact CD1-CD1 4.47Å
679	S	90.2	Very high	89.3	Confident	83 Å²	83	55.7 Å²	55.7	58%	0.58	29%	0.289	S	S	*	.	H	α-helix	trans	-60.6	-31.8	178.8	79.5	0	0	0	0	113	E675 L676 C681	E675-S679 PolarHBondContact O-N 3.43Å; L676-S679 PolarHBondContact O-N 2.97Å; L676-S679 PolarHBondContact O-OG 2.96Å; S679-C681 VanDerWaalsContact C-N 3.34Å
680	K	89.1	Confident	89.2	Confident	100 Å²	100	54.6 Å²	54.6	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7.8	175.9	-70.2	-161.7	169.4	-161.1	0	113.8	G652 L654 L676 A677 I678 Q682	G652-K680 VanDerWaalsContact C-NZ 3.32Å; G652-K680 VanDerWaalsContact CA-NZ 3.27Å; G652-K680 WeakPolarHBondContact O-CE 3.48Å; G652-K680 PolarHBondContact O-NZ 2.96Å; L654-K680 HydrophobicContact CD1-CB 4.15Å; L654-K680 HydrophobicContact CD1-CD 3.89Å; L654-K680 HydrophobicContact CG-CD 4.33Å; L676-K680 PolarHBondContact O-N 3.09Å; A677-K680 CarbonylContact O-C 2.79Å; A677-K680 PolarHBondContact O-N 3.2Å; I678-K680 PolarHBondContact O-N 3.37Å; K680-Q682 PolarHBondContact O-N 2.94Å
681	C	89.3	Confident	88.8	Confident	89 Å²	89	58.9 Å²	58.9	60%	0.601	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	27.9	-179.4	-56.6	0	0	0	0	114.6	A677 I678 S679 F683	A677-C681 PolarHBondContact O-N 3.34Å; A677-C681 VanDerWaalsContact O-N 3.15Å; I678-C681 PolarHBondContact O-N 3.46Å; S679-C681 VanDerWaalsContact C-N 3.34Å; C681-F683 HydrophobicContact CB-CE2 4.13Å; C681-F683 HydrophobicContact CB-CZ 4.17Å; C681-F683 PolarHBondContact O-N 3.02Å
682	Q	88.9	Confident	88.6	Confident	95 Å²	95	59.7 Å²	59.7	44%	0.444	31%	0.31	S	S	.	.			trans	-94.4	74.4	175.2	-66.6	-166.5	0.3	0	0	110.8	L654 A677 K680 G684 L685 A686	L654-Q682 HydrophobicContact CD1-CB 4.37Å; L654-Q682 HydrophobicContact CD1-CG 4.09Å; A677-Q682 PolarHBondContact O-N 3.23Å; K680-Q682 PolarHBondContact O-N 2.94Å; Q682-G684 VanDerWaalsContact C-N 3.35Å; Q682-G684 PolarHBondContact O-N 3.44Å; Q682-L685 HydrophobicContact CB-CB 4.41Å; Q682-L685 PolarHBondContact O-N 2.85Å; Q682-A686 PolarHBondContact O-N 2.9Å
683	F	84.9	Confident	88.3	Confident	110 Å²	110	55.7 Å²	55.7	48%	0.482	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-30.3	-171.7	-57.5	-64.8	0	0	0	114.8	C681 A686 Q687 L702	C681-F683 HydrophobicContact CB-CE2 4.13Å; C681-F683 HydrophobicContact CB-CZ 4.17Å; C681-F683 PolarHBondContact O-N 3.02Å; F683-A686 PolarHBondContact O-N 2.76Å; F683-Q687 WeakPolarHBondContact O-CB 3.14Å; F683-Q687 PolarHBondContact O-N 3.01Å; F683-L702 HydrophobicContact CB-CD1 4.36Å; F683-L702 HydrophobicContact CD1-CD1 3.73Å; F683-L702 HydrophobicContact CG-CD1 4.38Å
684	G	85.5	Confident	88	Confident	48 Å²	48	60.5 Å²	60.5	50%	0.495	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-47.1	176.3	0	0	0	0	0	112.2	Q682 Q687 E688	Q682-G684 VanDerWaalsContact C-N 3.35Å; Q682-G684 PolarHBondContact O-N 3.44Å; G684-Q687 WeakPolarHBondContact O-CB 3.27Å; G684-Q687 PolarHBondContact O-N 3.03Å; G684-E688 PolarHBondContact O-N 3.39Å
685	L	88.1	Confident	87.9	Confident	31 Å²	31	62.9 Å²	62.9	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-66	-42	175.5	-176.2	65.3	0	0	0	111.4	L654 Y658 A677 Q682 Q687 E688 C689	L654-L685 HydrophobicContact CB-CD2 3.87Å; L654-L685 HydrophobicContact CD1-CD2 4.25Å; L654-L685 HydrophobicContact CD2-CD2 4.19Å; L654-L685 HydrophobicContact CG-CD2 4.33Å; Y658-L685 HydrophobicContact CD2-CD1 3.46Å; Y658-L685 VanDerWaalsContact CD2-CD1 3.46Å; Y658-L685 HydrophobicContact CE2-CD1 3.86Å; Y658-L685 HydrophobicContact CG-CD1 4.16Å; A677-L685 HydrophobicContact CB-CB 4.43Å; A677-L685 HydrophobicContact CB-CD2 4.24Å; A677-L685 HydrophobicContact CB-CG 4.34Å; Q682-L685 HydrophobicContact CB-CB 4.41Å; Q682-L685 PolarHBondContact O-N 2.85Å; L685-Q687 VanDerWaalsContact C-N 3.28Å; L685-Q687 PolarHBondContact O-N 3.11Å; L685-E688 PolarHBondContact O-N 3.46Å; L685-C689 WeakPolarHBondContact O-CB 3.45Å; L685-C689 PolarHBondContact O-N 3.45Å; L685-C689 PolarHBondContact O-SG 3.28Å
686	A	88.3	Confident	87.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-39.9	176.4	0	0	0	0	0	112.1	A677 I678 Q682 F683 C689 L690 L702	A677-A686 HydrophobicContact CB-CB 3.93Å; I678-A686 HydrophobicContact CD1-CB 4.49Å; I678-A686 HydrophobicContact CG1-CB 3.7Å; Q682-A686 PolarHBondContact O-N 2.9Å; F683-A686 PolarHBondContact O-N 2.76Å; A686-C689 PolarHBondContact O-N 3.3Å; A686-L690 WeakPolarHBondContact O-CB 3.46Å; A686-L690 WeakPolarHBondContact O-CG 3.32Å; A686-L690 PolarHBondContact O-N 3.27Å; A686-L702 HydrophobicContact CB-CD2 4.45Å
687	Q	85.1	Confident	87.5	Confident	73 Å²	73	57.6 Å²	57.6	34%	0.341	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-48.7	175.6	167.3	177.5	-6.8	0	0	111.8	F683 G684 L685 L690 H691 L699 L702 M711	F683-Q687 WeakPolarHBondContact O-CB 3.14Å; F683-Q687 PolarHBondContact O-N 3.01Å; G684-Q687 WeakPolarHBondContact O-CB 3.27Å; G684-Q687 PolarHBondContact O-N 3.03Å; L685-Q687 VanDerWaalsContact C-N 3.28Å; L685-Q687 PolarHBondContact O-N 3.11Å; Q687-L690 PolarHBondContact O-N 3.3Å; Q687-H691 WeakPolarHBondContact O-CB 3.49Å; Q687-H691 PolarHBondContact O-N 3.36Å; Q687-L699 HydrophobicContact CG-CD2 4.46Å; Q687-L702 HydrophobicContact CB-CD2 3.99Å; Q687-M711 HydrophobicContact CB-CE 4.02Å; Q687-M711 HydrophobicContact CG-CE 3.57Å; Q687-M711 HydrophobicContact CG-SD 4.33Å
688	E	85.8	Confident	87.2	Confident	96 Å²	96	58.6 Å²	58.6	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-47.2	178.2	-70.1	175.5	172.5	0	0	110.7	G684 L685 L690 H691 H692	G684-E688 PolarHBondContact O-N 3.39Å; L685-E688 PolarHBondContact O-N 3.46Å; E688-L690 PolarHBondContact O-N 3.04Å; E688-H691 WeakPolarHBondContact O-CB 3.25Å; E688-H691 PolarHBondContact O-N 3.2Å; E688-H691 VanDerWaalsContact O-N 3.15Å; E688-H692 PolarHBondContact O-CD2 2.99Å; E688-H692 PolarHBondContact O-N 3.46Å
689	C	89.1	Confident	87.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-44.8	179.3	-63.3	0	0	0	0	112	W670 L673 A674 L685 A686 H691 H692 A693	W670-C689 HydrophobicContact CE3-CB 3.95Å; W670-C689 HydrophobicContact CZ3-CB 4.5Å; L673-C689 VanDerWaalsContact CD2-SG 3.58Å; A674-C689 HydrophobicContact CB-CB 3.73Å; L685-C689 WeakPolarHBondContact O-CB 3.45Å; L685-C689 PolarHBondContact O-N 3.45Å; L685-C689 PolarHBondContact O-SG 3.28Å; A686-C689 PolarHBondContact O-N 3.3Å; C689-H691 VanDerWaalsContact C-N 3.28Å; C689-H691 PolarHBondContact O-N 2.89Å; C689-H692 PolarHBondContact O-N 3.37Å; C689-A693 WeakPolarHBondContact O-CB 3.23Å; C689-A693 PolarHBondContact O-N 2.87Å
690	L	88.1	Confident	87	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-30.7	178.1	-69.8	167.4	0	0	0	112.5	A674 I678 A686 Q687 E688 Q694 D695 L699 L702	A674-L690 HydrophobicContact CB-CD2 3.71Å; A674-L690 HydrophobicContact CB-CG 3.76Å; I678-L690 HydrophobicContact CD1-CD1 4.47Å; A686-L690 WeakPolarHBondContact O-CB 3.46Å; A686-L690 WeakPolarHBondContact O-CG 3.32Å; A686-L690 PolarHBondContact O-N 3.27Å; Q687-L690 PolarHBondContact O-N 3.3Å; E688-L690 PolarHBondContact O-N 3.04Å; L690-Q694 PolarHBondContact O-N 2.96Å; L690-D695 HydrophobicContact CD2-CB 3.94Å; L690-D695 PolarHBondContact O-N 2.84Å; L690-L699 HydrophobicContact CB-CD2 3.57Å; L690-L699 HydrophobicContact CB-CG 3.68Å; L690-L699 HydrophobicContact CD1-CD2 4.33Å; L690-L702 HydrophobicContact CD1-CD2 4.13Å
691	H	84.5	Confident	87	Confident	100 Å²	100	54.3 Å²	54.3	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-67.9	-48	173.8	-169.8	65	0	0	0	111.7	Q687 E688 C689 A693 Q694 L699	Q687-H691 WeakPolarHBondContact O-CB 3.49Å; Q687-H691 PolarHBondContact O-N 3.36Å; E688-H691 WeakPolarHBondContact O-CB 3.25Å; E688-H691 PolarHBondContact O-N 3.2Å; E688-H691 VanDerWaalsContact O-N 3.15Å; C689-H691 VanDerWaalsContact C-N 3.28Å; C689-H691 PolarHBondContact O-N 2.89Å; H691-A693 VanDerWaalsContact C-N 3.26Å; H691-A693 PolarHBondContact O-N 3.24Å; H691-Q694 PolarHBondContact O-N 3.28Å; H691-Q694 VanDerWaalsContact O-N 3.13Å; H691-L699 HydrophobicContact CB-CD1 4.37Å
692	H	85.9	Confident	86.8	Confident	97 Å²	97	51.2 Å²	51.2	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-31.8	174.3	-74.6	-71.6	0	0	0	112.8	W670 E688 C689 Q694	W670-H692 HydrophobicContact CB-CB 4.44Å; W670-H692 HydrophobicContact CD2-CB 3.69Å; W670-H692 HydrophobicContact CE3-CB 4.27Å; W670-H692 HydrophobicContact CG-CB 3.76Å; W670-H692 HydrophobicContact CZ2-CB 4.32Å; E688-H692 PolarHBondContact O-CD2 2.99Å; E688-H692 PolarHBondContact O-N 3.46Å; C689-H692 PolarHBondContact O-N 3.37Å; H692-Q694 PolarHBondContact O-N 3.44Å
693	A	86.9	Confident	86.6	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.8	174.8	0	0	0	0	0	115	W670 K671 C689 H691 D695	W670-A693 HydrophobicContact CB-CB 3.73Å; K671-A693 HydrophobicContact CG-CB 3.58Å; C689-A693 WeakPolarHBondContact O-CB 3.23Å; C689-A693 PolarHBondContact O-N 2.87Å; H691-A693 VanDerWaalsContact C-N 3.26Å; H691-A693 PolarHBondContact O-N 3.24Å; A693-D695 HydrophobicContact CB-CB 4.38Å; A693-D695 PolarHBondContact O-N 3.01Å; A693-D695 VanDerWaalsContact O-N 3.07Å
694	Q	86.3	Confident	86.6	Confident	100 Å²	100	44.4 Å²	44.4	47%	0.467	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	30.9	-170.9	-58.7	-175.2	11.1	0	0	113.3	L690 H691 H692 Y696	L690-Q694 PolarHBondContact O-N 2.96Å; H691-Q694 PolarHBondContact O-N 3.28Å; H691-Q694 VanDerWaalsContact O-N 3.13Å; H692-Q694 PolarHBondContact O-N 3.44Å; Q694-Y696 VanDerWaalsContact C-N 3.34Å; Q694-Y696 HydrophobicContact CB-CE2 3.83Å; Q694-Y696 WeakPolarHBondContact O-CD2 3.44Å; Q694-Y696 VanDerWaalsContact O-CE2 3.25Å; Q694-Y696 WeakPolarHBondContact O-CE2 3.27Å; Q694-Y696 PolarHBondContact O-N 3.29Å; Q694-Y696 VanDerWaalsContact O-N 3.13Å
695	D	87.1	Confident	86.5	Confident	51 Å²	51	46.3 Å²	46.3	27%	0.273	26%	0.26	S	S	.	.			trans	-88.9	76.4	177.1	-168.5	-8.9	0	0	0	110.4	L690 A693 G697 G698 L699	L690-D695 HydrophobicContact CD2-CB 3.94Å; L690-D695 PolarHBondContact O-N 2.84Å; A693-D695 HydrophobicContact CB-CB 4.38Å; A693-D695 PolarHBondContact O-N 3.01Å; A693-D695 VanDerWaalsContact O-N 3.07Å; D695-G697 PolarHBondContact O-N 2.66Å; D695-G697 PolarHBondContact OD1-N 3.13Å; D695-G698 PolarHBondContact O-N 2.84Å; D695-G698 PolarHBondContact OD1-N 3.07Å; D695-L699 WeakPolarHBondContact O-CG 3.31Å; D695-L699 PolarHBondContact O-N 3.23Å
696	Y	86.1	Confident	86.1	Confident	10 Å²	10	48.2 Å²	48.2	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-23.7	179.2	-53.6	-83.4	0	0	0	112.8	Q694 L700 L715 A719 D722 K724	Q694-Y696 VanDerWaalsContact C-N 3.34Å; Q694-Y696 HydrophobicContact CB-CE2 3.83Å; Q694-Y696 WeakPolarHBondContact O-CD2 3.44Å; Q694-Y696 VanDerWaalsContact O-CE2 3.25Å; Q694-Y696 WeakPolarHBondContact O-CE2 3.27Å; Q694-Y696 PolarHBondContact O-N 3.29Å; Q694-Y696 VanDerWaalsContact O-N 3.13Å; Y696-L700 VanDerWaalsContact O-CB 3.29Å; Y696-L700 WeakPolarHBondContact O-CB 3.22Å; Y696-L700 PolarHBondContact O-N 2.73Å; Y696-L715 HydrophobicContact CD1-CD1 3.72Å; Y696-L715 HydrophobicContact CG-CD1 4.4Å; Y696-A719 HydrophobicContact CD1-CB 4.13Å; Y696-D722 HydrophobicContact CE2-CB 4.45Å; Y696-D722 WeakPolarHBondContact OH-CB 3.33Å; Y696-D722 VanDerWaalsContact OH-CG 3.25Å; Y696-D722 PolarHBondContact OH-OD2 2.94Å; Y696-K724 HydrophobicContact CD2-CB 4.42Å; Y696-K724 HydrophobicContact CD2-CG 3.73Å; Y696-K724 HydrophobicContact CE2-CG 3.92Å; Y696-K724 HydrophobicContact CG-CG 4.49Å
697	G	86.6	Confident	85.6	Confident	44 Å²	44	51 Å²	51	45%	0.454	31%	0.305	S	S	.	.	H	α-helix	trans	-71.2	-49.3	176.3	0	0	0	0	0	111.5	D695 L699 L700 L701	D695-G697 PolarHBondContact O-N 2.66Å; D695-G697 PolarHBondContact OD1-N 3.13Å; G697-L699 VanDerWaalsContact C-N 3.34Å; G697-L699 PolarHBondContact O-N 2.83Å; G697-L700 PolarHBondContact O-N 2.92Å; G697-L701 PolarHBondContact O-N 3.45Å; G697-L701 VanDerWaalsContact O-N 3.07Å
698	G	86.5	Confident	85.4	Confident	21 Å²	21	50.5 Å²	50.5	22%	0.216	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-42.2	173	0	0	0	0	0	112.3	D695 L700 L701 L702	D695-G698 PolarHBondContact O-N 2.84Å; D695-G698 PolarHBondContact OD1-N 3.07Å; G698-L700 PolarHBondContact O-N 2.69Å; G698-L701 PolarHBondContact O-N 3.15Å; G698-L702 WeakPolarHBondContact O-CB 3.4Å; G698-L702 PolarHBondContact O-N 3.43Å
699	L	87.3	Confident	85	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-42	174.6	-74.7	171.7	0	0	0	112.6	Q687 L690 H691 D695 G697 L701 L702 A703 M711 L715	Q687-L699 HydrophobicContact CG-CD2 4.46Å; L690-L699 HydrophobicContact CB-CD2 3.57Å; L690-L699 HydrophobicContact CB-CG 3.68Å; L690-L699 HydrophobicContact CD1-CD2 4.33Å; H691-L699 HydrophobicContact CB-CD1 4.37Å; D695-L699 WeakPolarHBondContact O-CG 3.31Å; D695-L699 PolarHBondContact O-N 3.23Å; G697-L699 VanDerWaalsContact C-N 3.34Å; G697-L699 PolarHBondContact O-N 2.83Å; L699-L701 VanDerWaalsContact C-N 3.32Å; L699-L701 PolarHBondContact O-N 2.92Å; L699-L702 PolarHBondContact O-N 3.19Å; L699-A703 WeakPolarHBondContact O-CB 3.3Å; L699-A703 PolarHBondContact O-N 3.22Å; L699-M711 HydrophobicContact CD2-CE 3.76Å; L699-L715 HydrophobicContact CB-CD1 3.65Å; L699-L715 HydrophobicContact CB-CD2 4.25Å; L699-L715 HydrophobicContact CD1-CD1 3.84Å; L699-L715 HydrophobicContact CG-CD1 4.41Å
700	L	88.1	Confident	84.7	Confident	33 Å²	33	53.8 Å²	53.8	17%	0.173	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-43.4	178	-176.3	64.3	0	0	0	110.8	Y696 G697 G698 A703 T704 L715 V727 M730 S731 L734	Y696-L700 VanDerWaalsContact O-CB 3.29Å; Y696-L700 WeakPolarHBondContact O-CB 3.22Å; Y696-L700 PolarHBondContact O-N 2.73Å; G697-L700 PolarHBondContact O-N 2.92Å; G698-L700 PolarHBondContact O-N 2.69Å; L700-A703 PolarHBondContact O-N 3.5Å; L700-T704 HydrophobicContact CD1-CG2 4.05Å; L700-T704 HydrophobicContact CG-CG2 4.4Å; L700-T704 WeakPolarHBondContact O-CB 3.32Å; L700-T704 VanDerWaalsContact O-CG2 3.24Å; L700-T704 WeakPolarHBondContact O-CG2 3.45Å; L700-T704 PolarHBondContact O-N 2.9Å; L700-T704 PolarHBondContact O-OG1 2.78Å; L700-L715 VanDerWaalsContact CA-CD2 3.45Å; L700-L715 HydrophobicContact CB-CD2 3.76Å; L700-L715 HydrophobicContact CD1-CD2 3.78Å; L700-L715 HydrophobicContact CG-CD2 4.4Å; L700-V727 HydrophobicContact CB-CG1 4.38Å; L700-V727 HydrophobicContact CD2-CG1 4.32Å; L700-M730 HydrophobicContact CD2-CB 4.4Å; L700-S731 WeakPolarHBondContact CD1-OG 3.27Å; L700-L734 HydrophobicContact CD1-CD1 4.2Å
701	L	88.5	Confident	84.4	Confident	125 Å²	125	54.1 Å²	54.1	65%	0.654	33%	0.332	S	S	*	.	H	α-helix	trans	-63	-46.5	177.3	-176.8	64.4	0	0	0	111.2	G697 G698 L699 T704 A705	G697-L701 PolarHBondContact O-N 3.45Å; G697-L701 VanDerWaalsContact O-N 3.07Å; G698-L701 PolarHBondContact O-N 3.15Å; L699-L701 VanDerWaalsContact C-N 3.32Å; L699-L701 PolarHBondContact O-N 2.92Å; L701-T704 PolarHBondContact O-OG1 3.35Å; L701-T704 VanDerWaalsContact O-OG1 3.13Å; L701-A705 WeakPolarHBondContact O-CB 3.09Å; L701-A705 PolarHBondContact O-N 2.81Å
702	L	85.9	Confident	84.4	Confident	24 Å²	24	49.8 Å²	49.8	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-42.2	179.4	-175.2	63.1	0	0	0	112	F683 A686 Q687 L690 G698 L699 S706 M711	F683-L702 HydrophobicContact CB-CD1 4.36Å; F683-L702 HydrophobicContact CD1-CD1 3.73Å; F683-L702 HydrophobicContact CG-CD1 4.38Å; A686-L702 HydrophobicContact CB-CD2 4.45Å; Q687-L702 HydrophobicContact CB-CD2 3.99Å; L690-L702 HydrophobicContact CD1-CD2 4.13Å; G698-L702 WeakPolarHBondContact O-CB 3.4Å; G698-L702 PolarHBondContact O-N 3.43Å; L699-L702 PolarHBondContact O-N 3.19Å; L702-S706 VanDerWaalsContact O-CB 3.3Å; L702-S706 WeakPolarHBondContact O-CB 3.47Å; L702-S706 PolarHBondContact O-N 2.98Å; L702-S706 PolarHBondContact O-OG 3.39Å; L702-M711 HydrophobicContact CB-CE 4.39Å; L702-M711 HydrophobicContact CD2-CE 4.05Å; L702-M711 HydrophobicContact CG-CE 4.23Å
703	A	84.5	Confident	84.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-39.8	-179.3	0	0	0	0	0	112.2	L699 L700 S706 G707 N708 M711 V712	L699-A703 WeakPolarHBondContact O-CB 3.3Å; L699-A703 PolarHBondContact O-N 3.22Å; L700-A703 PolarHBondContact O-N 3.5Å; A703-S706 PolarHBondContact O-OG 2.86Å; A703-S706 VanDerWaalsContact O-OG 3.14Å; A703-G707 PolarHBondContact O-N 2.88Å; A703-G707 VanDerWaalsContact O-N 3.15Å; A703-N708 PolarHBondContact O-N 3.39Å; A703-M711 HydrophobicContact CB-CB 4.19Å; A703-M711 HydrophobicContact CB-CE 4.09Å; A703-M711 HydrophobicContact CB-CG 3.74Å; A703-M711 HydrophobicContact CB-SD 3.76Å; A703-V712 HydrophobicContact CB-CG2 3.64Å
704	T	84.8	Confident	84.2	Confident	63 Å²	63	54.1 Å²	54.1	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-73.1	-42.2	177.4	53.7	0	0	0	0	111.7	L700 L701 S706 G707 L734	L700-T704 HydrophobicContact CD1-CG2 4.05Å; L700-T704 HydrophobicContact CG-CG2 4.4Å; L700-T704 WeakPolarHBondContact O-CB 3.32Å; L700-T704 VanDerWaalsContact O-CG2 3.24Å; L700-T704 WeakPolarHBondContact O-CG2 3.45Å; L700-T704 PolarHBondContact O-N 2.9Å; L700-T704 PolarHBondContact O-OG1 2.78Å; L701-T704 PolarHBondContact O-OG1 3.35Å; L701-T704 VanDerWaalsContact O-OG1 3.13Å; T704-S706 VanDerWaalsContact C-N 3.3Å; T704-S706 PolarHBondContact O-N 2.85Å; T704-G707 PolarHBondContact O-N 2.99Å; T704-G707 VanDerWaalsContact O-N 3.16Å; T704-L734 HydrophobicContact CG2-CD1 3.71Å
705	A	82.9	Confident	84.3	Confident	87 Å²	87	49.9 Å²	49.9	72%	0.719	31%	0.312	S	S	*	.	H	α-helix	trans	-63.4	-35	176	0	0	0	0	0	112.7	L701	L701-A705 WeakPolarHBondContact O-CB 3.09Å; L701-A705 PolarHBondContact O-N 2.81Å
706	S	79.7	Confident	84.2	Confident	71 Å²	71	47.5 Å²	47.5	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-81.5	-11.9	176.3	59.7	0	0	0	0	114.1	L702 A703 T704 N708	L702-S706 VanDerWaalsContact O-CB 3.3Å; L702-S706 WeakPolarHBondContact O-CB 3.47Å; L702-S706 PolarHBondContact O-N 2.98Å; L702-S706 PolarHBondContact O-OG 3.39Å; A703-S706 PolarHBondContact O-OG 2.86Å; A703-S706 VanDerWaalsContact O-OG 3.14Å; T704-S706 VanDerWaalsContact C-N 3.3Å; T704-S706 PolarHBondContact O-N 2.85Å; S706-N708 PolarHBondContact O-N 3.02Å
707	G	77.4	Confident	84.3	Confident	58 Å²	58	51.8 Å²	51.8	60%	0.598	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	26.1	-176.6	0	0	0	0	0	113.9	A703 T704 A709	A703-G707 PolarHBondContact O-N 2.88Å; A703-G707 VanDerWaalsContact O-N 3.15Å; T704-G707 PolarHBondContact O-N 2.99Å; T704-G707 VanDerWaalsContact O-N 3.16Å; G707-A709 PolarHBondContact O-N 2.66Å
708	N	81	Confident	84.2	Confident	64 Å²	64	50 Å²	50	34%	0.342	30%	0.302	S	S	.	.			trans	-90.5	94.9	-175.2	-172.3	-21.4	0	0	0	111.6	A703 S706 N710 M711 V712	A703-N708 PolarHBondContact O-N 3.39Å; S706-N708 PolarHBondContact O-N 3.02Å; N708-N710 VanDerWaalsContact C-N 3.29Å; N708-N710 PolarHBondContact O-N 2.83Å; N708-N710 PolarHBondContact OD1-N 2.86Å; N708-M711 HydrophobicContact CB-CB 3.9Å; N708-M711 WeakPolarHBondContact O-CB 3.39Å; N708-M711 PolarHBondContact O-N 2.78Å; N708-M711 VanDerWaalsContact O-N 3.12Å; N708-M711 PolarHBondContact OD1-N 3.08Å; N708-V712 WeakPolarHBondContact O-CG2 3.44Å; N708-V712 PolarHBondContact O-N 3.02Å; N708-V712 VanDerWaalsContact O-N 3.08Å
709	A	78.4	Confident	84.2	Confident	39 Å²	39	49 Å²	49	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-57.2	-38.7	-179.1	0	0	0	0	0	113.5	G707 M711 V712 N713 Q735 L818	G707-A709 PolarHBondContact O-N 2.66Å; A709-M711 VanDerWaalsContact C-N 3.32Å; A709-M711 PolarHBondContact O-N 3.26Å; A709-V712 PolarHBondContact O-N 2.94Å; A709-N713 PolarHBondContact O-N 2.98Å; A709-Q735 PolarHBondContact O-NE2 2.97Å; A709-L818 HydrophobicContact CB-CD1 3.71Å
710	N	82.4	Confident	84.2	Confident	126 Å²	126	51 Å²	51	67%	0.674	30%	0.3	S	S	*	.	H	α-helix	trans	-64.2	-39.6	178.8	-68.9	-22.8	0	0	0	111.6	N708 N713 K714	N708-N710 VanDerWaalsContact C-N 3.29Å; N708-N710 PolarHBondContact O-N 2.83Å; N708-N710 PolarHBondContact OD1-N 2.86Å; N710-N713 PolarHBondContact O-N 3.15Å; N710-K714 PolarHBondContact O-N 3.02Å; N710-K714 VanDerWaalsContact O-N 3.11Å
711	M	80.8	Confident	84.1	Confident	13 Å²	13	57.9 Å²	57.9	6%	0.064	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-43.5	177.3	-174.5	177.1	175.6	0	0	111.4	Q687 L699 L702 A703 N708 A709 N713 K714 L715	Q687-M711 HydrophobicContact CB-CE 4.02Å; Q687-M711 HydrophobicContact CG-CE 3.57Å; Q687-M711 HydrophobicContact CG-SD 4.33Å; L699-M711 HydrophobicContact CD2-CE 3.76Å; L702-M711 HydrophobicContact CB-CE 4.39Å; L702-M711 HydrophobicContact CD2-CE 4.05Å; L702-M711 HydrophobicContact CG-CE 4.23Å; A703-M711 HydrophobicContact CB-CB 4.19Å; A703-M711 HydrophobicContact CB-CE 4.09Å; A703-M711 HydrophobicContact CB-CG 3.74Å; A703-M711 HydrophobicContact CB-SD 3.76Å; N708-M711 HydrophobicContact CB-CB 3.9Å; N708-M711 WeakPolarHBondContact O-CB 3.39Å; N708-M711 PolarHBondContact O-N 2.78Å; N708-M711 VanDerWaalsContact O-N 3.12Å; N708-M711 PolarHBondContact OD1-N 3.08Å; A709-M711 VanDerWaalsContact C-N 3.32Å; A709-M711 PolarHBondContact O-N 3.26Å; M711-N713 PolarHBondContact O-N 2.99Å; M711-K714 PolarHBondContact O-N 2.94Å; M711-L715 VanDerWaalsContact O-CB 3.29Å; M711-L715 WeakPolarHBondContact O-CB 3.4Å; M711-L715 PolarHBondContact O-N 3.17Å
712	V	85.4	Confident	83.9	Confident	10 Å²	10	54.7 Å²	54.7	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-32.2	174.6	179.6	0	0	0	0	110.9	A703 N708 A709 L715 A716 S731 Q735	A703-V712 HydrophobicContact CB-CG2 3.64Å; N708-V712 WeakPolarHBondContact O-CG2 3.44Å; N708-V712 PolarHBondContact O-N 3.02Å; N708-V712 VanDerWaalsContact O-N 3.08Å; A709-V712 PolarHBondContact O-N 2.94Å; V712-L715 WeakPolarHBondContact O-CB 3.2Å; V712-L715 PolarHBondContact O-N 3.01Å; V712-A716 WeakPolarHBondContact O-CB 3.41Å; V712-A716 PolarHBondContact O-N 2.88Å; V712-S731 WeakPolarHBondContact CG1-O 3.36Å; V712-Q735 VanDerWaalsContact CB-NE2 3.34Å; V712-Q735 HydrophobicContact CG1-CG 3.99Å
713	N	85.6	Confident	83.9	Confident	35 Å²	35	55.7 Å²	55.7	19%	0.187	32%	0.324	C	S	.	.	H	α-helix	trans	-74.8	-46.9	-177.8	-169.2	45.7	0	0	0	111.1	A709 N710 M711 L715 A716 E717 Q735 K737	A709-N713 PolarHBondContact O-N 2.98Å; N710-N713 PolarHBondContact O-N 3.15Å; M711-N713 PolarHBondContact O-N 2.99Å; N713-L715 PolarHBondContact O-N 2.93Å; N713-A716 WeakPolarHBondContact O-CB 3.26Å; N713-A716 PolarHBondContact O-N 2.97Å; N713-A716 VanDerWaalsContact O-N 3.09Å; N713-E717 PolarHBondContact ND2-OE1 3.06Å; N713-E717 PolarHBondContact O-N 2.85Å; N713-Q735 PolarHBondContact OD1-OE1 2.8Å; N713-K737 VanDerWaalsContact CG-NZ 3.26Å; N713-K737 PolarHBondContact ND2-NZ 2.95Å; N713-K737 PolarHBondContact OD1-NZ 2.67Å
714	K	83.9	Confident	84.1	Confident	154 Å²	154	60.9 Å²	60.9	67%	0.67	35%	0.347	S	S	*	.	H	α-helix	trans	-59.4	-36.6	173.4	-69.9	-176.5	178.3	-173.8	0	111.5	N710 M711 G718	N710-K714 PolarHBondContact O-N 3.02Å; N710-K714 VanDerWaalsContact O-N 3.11Å; M711-K714 PolarHBondContact O-N 2.94Å; K714-G718 PolarHBondContact O-N 3.01Å
715	L	87.1	Confident	84.3	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-43.2	174.2	179.1	66.3	0	0	0	111.8	Y696 L699 L700 M711 V712 N713 A719 V727	Y696-L715 HydrophobicContact CD1-CD1 3.72Å; Y696-L715 HydrophobicContact CG-CD1 4.4Å; L699-L715 HydrophobicContact CB-CD1 3.65Å; L699-L715 HydrophobicContact CB-CD2 4.25Å; L699-L715 HydrophobicContact CD1-CD1 3.84Å; L699-L715 HydrophobicContact CG-CD1 4.41Å; L700-L715 VanDerWaalsContact CA-CD2 3.45Å; L700-L715 HydrophobicContact CB-CD2 3.76Å; L700-L715 HydrophobicContact CD1-CD2 3.78Å; L700-L715 HydrophobicContact CG-CD2 4.4Å; M711-L715 VanDerWaalsContact O-CB 3.29Å; M711-L715 WeakPolarHBondContact O-CB 3.4Å; M711-L715 PolarHBondContact O-N 3.17Å; V712-L715 WeakPolarHBondContact O-CB 3.2Å; V712-L715 PolarHBondContact O-N 3.01Å; N713-L715 PolarHBondContact O-N 2.93Å; L715-A719 WeakPolarHBondContact O-CB 3.38Å; L715-A719 PolarHBondContact O-N 3.01Å; L715-V727 HydrophobicContact CD2-CG1 4.29Å; L715-V727 HydrophobicContact CG-CG1 4.35Å
716	A	86.4	Confident	84.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-49.1	178.5	0	0	0	0	0	111.6	V712 N713 A719 E720 Y732	V712-A716 WeakPolarHBondContact O-CB 3.41Å; V712-A716 PolarHBondContact O-N 2.88Å; N713-A716 WeakPolarHBondContact O-CB 3.26Å; N713-A716 PolarHBondContact O-N 2.97Å; N713-A716 VanDerWaalsContact O-N 3.09Å; A716-A719 PolarHBondContact O-N 3.14Å; A716-E720 WeakPolarHBondContact O-CB 3.44Å; A716-E720 PolarHBondContact O-N 2.91Å; A716-Y732 HydrophobicContact CB-CD1 3.64Å; A716-Y732 HydrophobicContact CB-CD2 4.15Å; A716-Y732 HydrophobicContact CB-CE1 3.35Å; A716-Y732 HydrophobicContact CB-CE2 3.89Å; A716-Y732 HydrophobicContact CB-CG 4.01Å; A716-Y732 VanDerWaalsContact CB-CZ 3.47Å
717	E	86.5	Confident	85.1	Confident	100 Å²	100	59.4 Å²	59.4	47%	0.467	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-43.2	178.4	-68.7	167.5	-164.9	0	0	111.8	N713 E720 R721 Y732	N713-E717 PolarHBondContact ND2-OE1 3.06Å; N713-E717 PolarHBondContact O-N 2.85Å; E717-E720 PolarHBondContact O-N 3.35Å; E717-R721 WeakPolarHBondContact O-CB 3.27Å; E717-R721 PolarHBondContact O-N 3.2Å; E717-Y732 PolarHBondContact N-OH 3.47Å
718	G	84.5	Confident	85.7	Confident	8 Å²	8	56.7 Å²	56.7	8%	0.082	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-46.5	175.4	0	0	0	0	0	112.6	K714 E720 R721 D722	K714-G718 PolarHBondContact O-N 3.01Å; G718-E720 VanDerWaalsContact C-N 3.31Å; G718-E720 PolarHBondContact O-N 2.84Å; G718-R721 PolarHBondContact O-N 2.81Å; G718-D722 WeakPolarHBondContact O-CB 3.22Å; G718-D722 PolarHBondContact O-N 3.2Å
719	A	87.3	Confident	86.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-35.4	177.8	0	0	0	0	0	112.3	Y696 L715 A716 G723 K724 V727 A728	Y696-A719 HydrophobicContact CD1-CB 4.13Å; L715-A719 WeakPolarHBondContact O-CB 3.38Å; L715-A719 PolarHBondContact O-N 3.01Å; A716-A719 PolarHBondContact O-N 3.14Å; A719-G723 PolarHBondContact O-N 2.79Å; A719-G723 VanDerWaalsContact O-N 3.16Å; A719-K724 HydrophobicContact CB-CB 4.12Å; A719-K724 WeakPolarHBondContact O-CA 3.39Å; A719-K724 PolarHBondContact O-N 2.78Å; A719-V727 HydrophobicContact CB-CB 4.15Å; A719-V727 HydrophobicContact CB-CG1 4.32Å; A719-A728 HydrophobicContact CB-CB 3.93Å
720	E	86.8	Confident	86.7	Confident	49 Å²	49	58.1 Å²	58.1	23%	0.229	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-47.2	174.6	-176.3	178.6	172.7	0	0	111.4	A716 E717 G718 D722 G723 A728 Y732 L744 R747	A716-E720 WeakPolarHBondContact O-CB 3.44Å; A716-E720 PolarHBondContact O-N 2.91Å; E717-E720 PolarHBondContact O-N 3.35Å; G718-E720 VanDerWaalsContact C-N 3.31Å; G718-E720 PolarHBondContact O-N 2.84Å; E720-D722 VanDerWaalsContact C-N 3.28Å; E720-D722 PolarHBondContact O-N 2.85Å; E720-G723 PolarHBondContact O-N 2.78Å; E720-A728 HydrophobicContact CB-CB 4.13Å; E720-Y732 WeakPolarHBondContact OE2-CE2 3.47Å; E720-Y732 PolarHBondContact OE2-OH 2.81Å; E720-L744 HydrophobicContact CG-CD1 4.04Å; E720-R747 IonicContact OE1-CZ 3.9Å; E720-R747 IonicContact OE1-NH1 2.74Å; E720-R747 PolarHBondContact OE1-NH1 3.19Å; E720-R747 IonicContact OE1-NH2 3.19Å
721	R	86.6	Confident	87	Confident	179 Å²	179	52.1 Å²	52.1	68%	0.675	26%	0.258	S	S	*	.	H	α-helix	trans	-58.8	-41.7	176.8	-175.5	-173.3	65.7	-162.7	-5.8	111.9	E717 G718 G723	E717-R721 WeakPolarHBondContact O-CB 3.27Å; E717-R721 PolarHBondContact O-N 3.2Å; G718-R721 PolarHBondContact O-N 2.81Å; R721-G723 VanDerWaalsContact C-N 3.26Å; R721-G723 PolarHBondContact O-N 2.84Å
722	D	83.8	Confident	87.4	Confident	57 Å²	57	52.1 Å²	52.1	31%	0.305	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.2	-174.1	-52.7	-27.8	0	0	0	111.7	Y696 G718 E720 K724	Y696-D722 HydrophobicContact CE2-CB 4.45Å; Y696-D722 WeakPolarHBondContact OH-CB 3.33Å; Y696-D722 VanDerWaalsContact OH-CG 3.25Å; Y696-D722 PolarHBondContact OH-OD2 2.94Å; G718-D722 WeakPolarHBondContact O-CB 3.22Å; G718-D722 PolarHBondContact O-N 3.2Å; E720-D722 VanDerWaalsContact C-N 3.28Å; E720-D722 PolarHBondContact O-N 2.85Å; D722-K724 VanDerWaalsContact C-N 3.34Å; D722-K724 PolarHBondContact O-N 2.86Å
723	G	86.3	Confident	87.5	Confident	45 Å²	45	55 Å²	55	46%	0.464	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	9.4	171.6	0	0	0	0	0	115.9	A719 E720 R721 N725	A719-G723 PolarHBondContact O-N 2.79Å; A719-G723 VanDerWaalsContact O-N 3.16Å; E720-G723 PolarHBondContact O-N 2.78Å; R721-G723 VanDerWaalsContact C-N 3.26Å; R721-G723 PolarHBondContact O-N 2.84Å; G723-N725 VanDerWaalsContact C-N 3.25Å; G723-N725 PolarHBondContact O-N 2.87Å
724	K	88.4	Confident	87.4	Confident	110 Å²	110	57.7 Å²	57.7	48%	0.478	28%	0.283	S	S	.	.			trans	-83.2	64.4	178	-59.2	-64.6	-177.7	-179.6	0	111.3	Y696 A719 D722 N726 V727 A728	Y696-K724 HydrophobicContact CD2-CB 4.42Å; Y696-K724 HydrophobicContact CD2-CG 3.73Å; Y696-K724 HydrophobicContact CE2-CG 3.92Å; Y696-K724 HydrophobicContact CG-CG 4.49Å; A719-K724 HydrophobicContact CB-CB 4.12Å; A719-K724 WeakPolarHBondContact O-CA 3.39Å; A719-K724 PolarHBondContact O-N 2.78Å; D722-K724 VanDerWaalsContact C-N 3.34Å; D722-K724 PolarHBondContact O-N 2.86Å; K724-N726 VanDerWaalsContact C-N 3.3Å; K724-N726 PolarHBondContact O-N 2.88Å; K724-N726 VanDerWaalsContact O-N 3.13Å; K724-V727 PolarHBondContact O-N 2.84Å; K724-V727 VanDerWaalsContact O-N 3.08Å; K724-A728 PolarHBondContact O-N 2.86Å; K724-A728 VanDerWaalsContact O-N 3.11Å
725	N	89.6	Confident	87.2	Confident	50 Å²	50	51.6 Å²	51.6	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-55.5	-34.9	-171	-61.4	-39.6	0	0	0	115	G723 F729 T748	G723-N725 VanDerWaalsContact C-N 3.25Å; G723-N725 PolarHBondContact O-N 2.87Å; N725-F729 VanDerWaalsContact O-CB 3.23Å; N725-F729 WeakPolarHBondContact O-CB 3.19Å; N725-F729 PolarHBondContact O-N 3.2Å; N725-T748 HydrophobicContact CB-CG2 4.24Å; N725-T748 WeakPolarHBondContact ND2-CG2 3.48Å
726	N	90.4	Very high	86.9	Confident	110 Å²	110	53.6 Å²	53.6	59%	0.588	28%	0.28	S	S	*	.	H	α-helix	trans	-69.7	-38.9	180	-70.6	-4.4	0	0	0	112.1	K724 M730	K724-N726 VanDerWaalsContact C-N 3.3Å; K724-N726 PolarHBondContact O-N 2.88Å; K724-N726 VanDerWaalsContact O-N 3.13Å; N726-M730 WeakPolarHBondContact O-CB 3.41Å; N726-M730 WeakPolarHBondContact O-CG 3.5Å; N726-M730 PolarHBondContact O-N 2.91Å
727	V	89.3	Confident	86.8	Confident	30 Å²	30	57.6 Å²	57.6	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-44.7	177.1	-175.1	0	0	0	0	109.5	L700 L715 A719 K724 F729 M730 S731	L700-V727 HydrophobicContact CB-CG1 4.38Å; L700-V727 HydrophobicContact CD2-CG1 4.32Å; L715-V727 HydrophobicContact CD2-CG1 4.29Å; L715-V727 HydrophobicContact CG-CG1 4.35Å; A719-V727 HydrophobicContact CB-CB 4.15Å; A719-V727 HydrophobicContact CB-CG1 4.32Å; K724-V727 PolarHBondContact O-N 2.84Å; K724-V727 VanDerWaalsContact O-N 3.08Å; V727-F729 PolarHBondContact O-N 3.03Å; V727-M730 PolarHBondContact O-N 2.85Å; V727-S731 WeakPolarHBondContact O-CB 3.24Å; V727-S731 PolarHBondContact O-N 3.38Å; V727-S731 PolarHBondContact O-OG 2.92Å; V727-S731 VanDerWaalsContact O-OG 3.04Å
728	A	89.3	Confident	86.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-47.8	175	0	0	0	0	0	111.9	A719 E720 K724 M730 S731 Y732 L744	A719-A728 HydrophobicContact CB-CB 3.93Å; E720-A728 HydrophobicContact CB-CB 4.13Å; K724-A728 PolarHBondContact O-N 2.86Å; K724-A728 VanDerWaalsContact O-N 3.11Å; A728-M730 PolarHBondContact O-N 2.84Å; A728-S731 PolarHBondContact O-N 2.78Å; A728-Y732 HydrophobicContact CB-CE2 4.35Å; A728-Y732 WeakPolarHBondContact O-CB 3.38Å; A728-Y732 WeakPolarHBondContact O-CD2 3.44Å; A728-Y732 PolarHBondContact O-N 3.33Å; A728-L744 HydrophobicContact CB-CD2 3.89Å
729	F	91.1	Very high	87	Confident	46 Å²	46	57.4 Å²	57.4	20%	0.202	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-48.5	176.7	-175.7	-90.3	0	0	0	111.7	N725 V727 S731 Y732 F733 C741 L744 L745 L757	N725-F729 VanDerWaalsContact O-CB 3.23Å; N725-F729 WeakPolarHBondContact O-CB 3.19Å; N725-F729 PolarHBondContact O-N 3.2Å; V727-F729 PolarHBondContact O-N 3.03Å; F729-S731 PolarHBondContact O-N 2.93Å; F729-Y732 PolarHBondContact O-N 2.82Å; F729-F733 HydrophobicContact CE1-CB 4.49Å; F729-F733 WeakPolarHBondContact O-CB 3.37Å; F729-F733 PolarHBondContact O-N 2.84Å; F729-C741 HydrophobicContact CD2-CB 3.91Å; F729-C741 HydrophobicContact CE2-CB 3.63Å; F729-C741 HydrophobicContact CZ-CB 4.37Å; F729-L744 HydrophobicContact CB-CD2 3.89Å; F729-L745 HydrophobicContact CD2-CD2 4.34Å; F729-L745 HydrophobicContact CD2-CG 4.19Å; F729-L745 HydrophobicContact CE2-CD1 3.73Å; F729-L745 HydrophobicContact CE2-CD2 4.22Å; F729-L745 HydrophobicContact CE2-CG 3.86Å; F729-L745 HydrophobicContact CZ-CD1 4.44Å; F729-L757 HydrophobicContact CE2-CD2 4.13Å; F729-L757 HydrophobicContact CZ-CD1 4.29Å; F729-L757 HydrophobicContact CZ-CD2 4.4Å
730	M	89.2	Confident	87	Confident	87 Å²	87	59 Å²	59	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-42.2	178	-74.7	-59.6	-59.1	0	0	112	L700 N726 V727 A728 F733 L734	L700-M730 HydrophobicContact CD2-CB 4.4Å; N726-M730 WeakPolarHBondContact O-CB 3.41Å; N726-M730 WeakPolarHBondContact O-CG 3.5Å; N726-M730 PolarHBondContact O-N 2.91Å; V727-M730 PolarHBondContact O-N 2.85Å; A728-M730 PolarHBondContact O-N 2.84Å; M730-F733 PolarHBondContact O-N 3.02Å; M730-L734 VanDerWaalsContact O-CB 3.32Å; M730-L734 WeakPolarHBondContact O-CB 3.38Å; M730-L734 WeakPolarHBondContact O-CD1 3.4Å; M730-L734 WeakPolarHBondContact O-CG 3.49Å; M730-L734 PolarHBondContact O-N 3.04Å
731	S	89.3	Confident	87.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-43.8	178.2	-63.1	0	0	0	0	112.4	L700 V712 V727 A728 F729 Q735	L700-S731 WeakPolarHBondContact CD1-OG 3.27Å; V712-S731 WeakPolarHBondContact CG1-O 3.36Å; V727-S731 WeakPolarHBondContact O-CB 3.24Å; V727-S731 PolarHBondContact O-N 3.38Å; V727-S731 PolarHBondContact O-OG 2.92Å; V727-S731 VanDerWaalsContact O-OG 3.04Å; A728-S731 PolarHBondContact O-N 2.78Å; F729-S731 PolarHBondContact O-N 2.93Å; S731-Q735 WeakPolarHBondContact O-CG 3.24Å; S731-Q735 PolarHBondContact O-N 3.01Å
732	Y	88.7	Confident	87.3	Confident	14 Å²	14	48.2 Å²	48.2	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-40.4	174.7	-72.7	-48.7	0	0	0	112.2	A716 E717 E720 A728 F729 Q735 G736 K737 A740 C741	A716-Y732 HydrophobicContact CB-CD1 3.64Å; A716-Y732 HydrophobicContact CB-CD2 4.15Å; A716-Y732 HydrophobicContact CB-CE1 3.35Å; A716-Y732 HydrophobicContact CB-CE2 3.89Å; A716-Y732 HydrophobicContact CB-CG 4.01Å; A716-Y732 VanDerWaalsContact CB-CZ 3.47Å; E717-Y732 PolarHBondContact N-OH 3.47Å; E720-Y732 WeakPolarHBondContact OE2-CE2 3.47Å; E720-Y732 PolarHBondContact OE2-OH 2.81Å; A728-Y732 HydrophobicContact CB-CE2 4.35Å; A728-Y732 WeakPolarHBondContact O-CB 3.38Å; A728-Y732 WeakPolarHBondContact O-CD2 3.44Å; A728-Y732 PolarHBondContact O-N 3.33Å; F729-Y732 PolarHBondContact O-N 2.82Å; Y732-Q735 PolarHBondContact O-N 3.49Å; Y732-G736 PolarHBondContact O-N 3.06Å; Y732-K737 HydrophobicContact CD1-CB 4.28Å; Y732-K737 HydrophobicContact CD1-CD 4.09Å; Y732-K737 PolarHBondContact O-N 3.25Å; Y732-A740 HydrophobicContact CD1-CB 3.91Å; Y732-A740 HydrophobicContact CD2-CB 4.1Å; Y732-A740 HydrophobicContact CE1-CB 4.21Å; Y732-A740 HydrophobicContact CE2-CB 4.39Å; Y732-A740 HydrophobicContact CG-CB 3.88Å; Y732-C741 WeakPolarHBondContact CB-SG 3.39Å
733	F	87.9	Confident	87.7	Confident	71 Å²	71	48.7 Å²	48.7	31%	0.311	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-42.4	179.4	-171.2	-104.8	0	0	0	111.8	F729 M730 Q735 G736 C741 Y761	F729-F733 HydrophobicContact CE1-CB 4.49Å; F729-F733 WeakPolarHBondContact O-CB 3.37Å; F729-F733 PolarHBondContact O-N 2.84Å; M730-F733 PolarHBondContact O-N 3.02Å; F733-Q735 PolarHBondContact O-N 3.27Å; F733-G736 PolarHBondContact O-N 2.98Å; F733-C741 PolarHBondContact N-SG 2.74Å; F733-Y761 HydrophobicContact CE2-CE2 4.14Å; F733-Y761 HydrophobicContact CZ-CE2 4.4Å
734	L	83.6	Confident	87.9	Confident	91 Å²	91	46.7 Å²	46.7	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-24.9	175.5	-73.9	168.8	0	0	0	113.3	L700 T704 M730	L700-L734 HydrophobicContact CD1-CD1 4.2Å; T704-L734 HydrophobicContact CG2-CD1 3.71Å; M730-L734 VanDerWaalsContact O-CB 3.32Å; M730-L734 WeakPolarHBondContact O-CB 3.38Å; M730-L734 WeakPolarHBondContact O-CD1 3.4Å; M730-L734 WeakPolarHBondContact O-CG 3.49Å; M730-L734 PolarHBondContact O-N 3.04Å
735	Q	79.3	Confident	88.1	Confident	25 Å²	25	41.8 Å²	41.8	12%	0.117	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.3	174.6	-70.7	-177.1	1.9	0	0	114.1	A709 V712 N713 S731 Y732 F733 K737	A709-Q735 PolarHBondContact O-NE2 2.97Å; V712-Q735 VanDerWaalsContact CB-NE2 3.34Å; V712-Q735 HydrophobicContact CG1-CG 3.99Å; N713-Q735 PolarHBondContact OD1-OE1 2.8Å; S731-Q735 WeakPolarHBondContact O-CG 3.24Å; S731-Q735 PolarHBondContact O-N 3.01Å; Y732-Q735 PolarHBondContact O-N 3.49Å; F733-Q735 PolarHBondContact O-N 3.27Å; Q735-K737 VanDerWaalsContact C-N 3.26Å; Q735-K737 HydrophobicContact CB-CD 4.48Å; Q735-K737 HydrophobicContact CB-CG 4.13Å; Q735-K737 PolarHBondContact O-N 3.24Å; Q735-K737 VanDerWaalsContact OE1-CE 3.27Å
736	G	80.9	Confident	88.1	Confident	54 Å²	54	40.9 Å²	40.9	56%	0.557	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	14	-172.1	0	0	0	0	0	114.1	Y732 F733 V738	Y732-G736 PolarHBondContact O-N 3.06Å; F733-G736 PolarHBondContact O-N 2.98Å; G736-V738 PolarHBondContact O-N 2.71Å
737	K	85.3	Confident	88.1	Confident	84 Å²	84	43.9 Å²	43.9	37%	0.365	23%	0.225	S	C	.	.			trans	-81.3	65.9	176.4	-67.3	-175.5	180	-179.9	0	110.9	N713 Y732 Q735 D739 A740 C741	N713-K737 VanDerWaalsContact CG-NZ 3.26Å; N713-K737 PolarHBondContact ND2-NZ 2.95Å; N713-K737 PolarHBondContact OD1-NZ 2.67Å; Y732-K737 HydrophobicContact CD1-CB 4.28Å; Y732-K737 HydrophobicContact CD1-CD 4.09Å; Y732-K737 PolarHBondContact O-N 3.25Å; Q735-K737 VanDerWaalsContact C-N 3.26Å; Q735-K737 HydrophobicContact CB-CD 4.48Å; Q735-K737 HydrophobicContact CB-CG 4.13Å; Q735-K737 PolarHBondContact O-N 3.24Å; Q735-K737 VanDerWaalsContact OE1-CE 3.27Å; K737-D739 VanDerWaalsContact C-N 3.28Å; K737-D739 PolarHBondContact O-N 3.4Å; K737-A740 HydrophobicContact CB-CB 4.24Å; K737-A740 PolarHBondContact O-N 3.22Å; K737-C741 PolarHBondContact O-N 2.87Å
738	V	86.1	Confident	88.1	Confident	23 Å²	23	44.7 Å²	44.7	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-33.4	-174.2	-167.5	0	0	0	0	111.9	G736 A740 C741 L742 L757 Y761 L762	G736-V738 PolarHBondContact O-N 2.71Å; V738-A740 VanDerWaalsContact C-N 3.34Å; V738-A740 PolarHBondContact O-N 3.05Å; V738-C741 WeakPolarHBondContact O-CB 3.46Å; V738-C741 PolarHBondContact O-N 2.92Å; V738-L742 WeakPolarHBondContact O-CB 3.16Å; V738-L742 PolarHBondContact O-N 3.31Å; V738-L757 HydrophobicContact CG1-CD2 4.32Å; V738-L757 HydrophobicContact CG1-CG 4.32Å; V738-Y761 HydrophobicContact CG1-CG 4.46Å; V738-L762 HydrophobicContact CB-CD1 3.76Å; V738-L762 HydrophobicContact CB-CG 4.22Å; V738-L762 HydrophobicContact CG1-CD1 3.48Å; V738-L762 VanDerWaalsContact CG1-CD1 3.48Å; V738-L762 HydrophobicContact CG1-CG 3.91Å
739	D	87.6	Confident	88	Confident	80 Å²	80	46.8 Å²	46.8	43%	0.428	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-42.3	176.7	-61.7	-80.4	0	0	0	111.8	K737 L742 E743	K737-D739 VanDerWaalsContact C-N 3.28Å; K737-D739 PolarHBondContact O-N 3.4Å; D739-L742 PolarHBondContact O-N 2.82Å; D739-E743 WeakPolarHBondContact O-CG 3.36Å; D739-E743 PolarHBondContact O-N 3.41Å
740	A	87.8	Confident	87.9	Confident	33 Å²	33	48.1 Å²	48.1	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-66.4	-40.3	176.2	0	0	0	0	0	111.6	Y732 K737 V738 L742 E743 L744	Y732-A740 HydrophobicContact CD1-CB 3.91Å; Y732-A740 HydrophobicContact CD2-CB 4.1Å; Y732-A740 HydrophobicContact CE1-CB 4.21Å; Y732-A740 HydrophobicContact CE2-CB 4.39Å; Y732-A740 HydrophobicContact CG-CB 3.88Å; K737-A740 HydrophobicContact CB-CB 4.24Å; K737-A740 PolarHBondContact O-N 3.22Å; V738-A740 VanDerWaalsContact C-N 3.34Å; V738-A740 PolarHBondContact O-N 3.05Å; A740-L742 VanDerWaalsContact C-N 3.3Å; A740-L742 PolarHBondContact O-N 2.74Å; A740-E743 PolarHBondContact O-N 2.7Å; A740-L744 VanDerWaalsContact O-CB 3.3Å; A740-L744 WeakPolarHBondContact O-CB 3.07Å; A740-L744 PolarHBondContact O-N 2.64Å
741	C	89.9	Confident	88	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-41.7	172.8	-68.1	0	0	0	0	112.2	F729 Y732 F733 K737 V738 L744 L745 L757	F729-C741 HydrophobicContact CD2-CB 3.91Å; F729-C741 HydrophobicContact CE2-CB 3.63Å; F729-C741 HydrophobicContact CZ-CB 4.37Å; Y732-C741 WeakPolarHBondContact CB-SG 3.39Å; F733-C741 PolarHBondContact N-SG 2.74Å; K737-C741 PolarHBondContact O-N 2.87Å; V738-C741 WeakPolarHBondContact O-CB 3.46Å; V738-C741 PolarHBondContact O-N 2.92Å; C741-L744 PolarHBondContact O-N 3.18Å; C741-L745 WeakPolarHBondContact O-CG 2.89Å; C741-L745 PolarHBondContact O-N 2.9Å; C741-L745 VanDerWaalsContact O-N 3.07Å; C741-L757 HydrophobicContact CB-CD2 3.83Å
742	L	90.9	Very high	88	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-49	179.6	-174.9	68.2	0	0	0	111.2	V738 D739 A740 L744 L745 I746 A754 L757 A758 L762 Q765 V769	V738-L742 WeakPolarHBondContact O-CB 3.16Å; V738-L742 PolarHBondContact O-N 3.31Å; D739-L742 PolarHBondContact O-N 2.82Å; A740-L742 VanDerWaalsContact C-N 3.3Å; A740-L742 PolarHBondContact O-N 2.74Å; L742-L744 VanDerWaalsContact C-N 3.29Å; L742-L744 PolarHBondContact O-N 2.98Å; L742-L745 PolarHBondContact O-N 2.68Å; L742-I746 HydrophobicContact CG-CD1 4.09Å; L742-I746 VanDerWaalsContact O-CG1 3.31Å; L742-I746 WeakPolarHBondContact O-CG1 3.18Å; L742-I746 PolarHBondContact O-N 3.32Å; L742-A754 HydrophobicContact CD1-CB 3.86Å; L742-A754 VanDerWaalsContact CD1-O 3.27Å; L742-A754 WeakPolarHBondContact CD1-O 3.49Å; L742-L757 HydrophobicContact CB-CD2 4.36Å; L742-L757 HydrophobicContact CD1-CD2 4.46Å; L742-A758 HydrophobicContact CD1-CB 4.05Å; L742-L762 HydrophobicContact CB-CD1 4.44Å; L742-L762 HydrophobicContact CD2-CD1 4.27Å; L742-Q765 HydrophobicContact CD2-CB 3.64Å; L742-Q765 HydrophobicContact CD2-CG 3.97Å; L742-V769 HydrophobicContact CD1-CG2 4.03Å; L742-V769 HydrophobicContact CD2-CG2 4.2Å; L742-V769 HydrophobicContact CG-CG2 4.4Å
743	E	91.5	Very high	88.1	Confident	67 Å²	67	50.9 Å²	50.9	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-36.5	177.2	-69.2	-62.2	158.4	0	0	112	D739 A740 I746 R747 R768	D739-E743 WeakPolarHBondContact O-CG 3.36Å; D739-E743 PolarHBondContact O-N 3.41Å; A740-E743 PolarHBondContact O-N 2.7Å; E743-I746 PolarHBondContact O-N 3.5Å; E743-R747 WeakPolarHBondContact O-CB 3.41Å; E743-R747 PolarHBondContact O-N 3.19Å; E743-R768 IonicContact OE1-CZ 2.99Å; E743-R768 IonicContact OE1-NH1 2.92Å; E743-R768 PolarHBondContact OE1-NH1 2.73Å; E743-R768 IonicContact OE1-NH2 3.45Å; E743-R768 PolarHBondContact OE1-NH2 2.82Å; E743-R768 IonicContact OE2-NH2 2.96Å; E743-R768 PolarHBondContact OE2-NH2 3.29Å
744	L	91.1	Very high	88.2	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-42.7	174.7	-174.1	66.5	0	0	0	112	E720 A728 F729 A740 C741 L742 R747 T748	E720-L744 HydrophobicContact CG-CD1 4.04Å; A728-L744 HydrophobicContact CB-CD2 3.89Å; F729-L744 HydrophobicContact CB-CD2 3.89Å; A740-L744 VanDerWaalsContact O-CB 3.3Å; A740-L744 WeakPolarHBondContact O-CB 3.07Å; A740-L744 PolarHBondContact O-N 2.64Å; C741-L744 PolarHBondContact O-N 3.18Å; L742-L744 VanDerWaalsContact C-N 3.29Å; L742-L744 PolarHBondContact O-N 2.98Å; L744-R747 PolarHBondContact O-N 2.86Å; L744-T748 WeakPolarHBondContact O-CB 3.22Å; L744-T748 VanDerWaalsContact O-CG2 3.31Å; L744-T748 WeakPolarHBondContact O-CG2 3.49Å; L744-T748 PolarHBondContact O-N 3.43Å; L744-T748 PolarHBondContact O-OG1 2.86Å
745	L	90.9	Very high	88.4	Confident	7 Å²	7	43.7 Å²	43.7	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-40.2	175.4	-71.4	176.2	0	0	0	112	F729 C741 L742 T748 G749 R750 E753 A754 L757	F729-L745 HydrophobicContact CD2-CD2 4.34Å; F729-L745 HydrophobicContact CD2-CG 4.19Å; F729-L745 HydrophobicContact CE2-CD1 3.73Å; F729-L745 HydrophobicContact CE2-CD2 4.22Å; F729-L745 HydrophobicContact CE2-CG 3.86Å; F729-L745 HydrophobicContact CZ-CD1 4.44Å; C741-L745 WeakPolarHBondContact O-CG 2.89Å; C741-L745 PolarHBondContact O-N 2.9Å; C741-L745 VanDerWaalsContact O-N 3.07Å; L742-L745 PolarHBondContact O-N 2.68Å; L745-T748 WeakPolarHBondContact CA-OG1 3.24Å; L745-T748 PolarHBondContact O-N 3.01Å; L745-T748 PolarHBondContact O-OG1 3.11Å; L745-G749 PolarHBondContact O-N 2.87Å; L745-R750 HydrophobicContact CD2-CB 4.13Å; L745-R750 PolarHBondContact O-N 2.76Å; L745-E753 HydrophobicContact CD1-CB 4.33Å; L745-E753 HydrophobicContact CD2-CB 4.41Å; L745-A754 HydrophobicContact CB-CB 3.8Å; L745-A754 HydrophobicContact CD1-CB 4.34Å; L745-L757 HydrophobicContact CD1-CB 4.22Å; L745-L757 HydrophobicContact CD1-CD2 3.85Å
746	I	91.2	Very high	88.8	Confident	30 Å²	30	48.8 Å²	48.8	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-48.3	175.7	-66.9	167.1	0	0	0	110.2	L742 E743 T748 G749 L751 A754 V769 L772	L742-I746 HydrophobicContact CG-CD1 4.09Å; L742-I746 VanDerWaalsContact O-CG1 3.31Å; L742-I746 WeakPolarHBondContact O-CG1 3.18Å; L742-I746 PolarHBondContact O-N 3.32Å; E743-I746 PolarHBondContact O-N 3.5Å; I746-T748 VanDerWaalsContact C-N 3.3Å; I746-T748 PolarHBondContact O-N 3.47Å; I746-G749 PolarHBondContact O-N 2.89Å; I746-L751 HydrophobicContact CG1-CD2 4.37Å; I746-L751 HydrophobicContact CG2-CD2 4.31Å; I746-A754 HydrophobicContact CG1-CB 4.18Å; I746-V769 HydrophobicContact CD1-CG2 4.14Å; I746-L772 HydrophobicContact CG2-CD1 4.17Å
747	R	89.4	Confident	89.2	Confident	174 Å²	174	47 Å²	47	66%	0.657	24%	0.239	S	C	*	.	H	α-helix	trans	-63.8	-35	-179	-166.3	-179.1	-62.1	157	9.2	112.5	E720 E743 L744 G749	E720-R747 IonicContact OE1-CZ 3.9Å; E720-R747 IonicContact OE1-NH1 2.74Å; E720-R747 PolarHBondContact OE1-NH1 3.19Å; E720-R747 IonicContact OE1-NH2 3.19Å; E743-R747 WeakPolarHBondContact O-CB 3.41Å; E743-R747 PolarHBondContact O-N 3.19Å; L744-R747 PolarHBondContact O-N 2.86Å; R747-G749 PolarHBondContact O-N 2.91Å
748	T	88.2	Confident	89.3	Confident	46 Å²	46	43 Å²	43	28%	0.282	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	0.9	175.5	56.8	0	0	0	0	113.8	N725 L744 L745 I746 R750	N725-T748 HydrophobicContact CB-CG2 4.24Å; N725-T748 WeakPolarHBondContact ND2-CG2 3.48Å; L744-T748 WeakPolarHBondContact O-CB 3.22Å; L744-T748 VanDerWaalsContact O-CG2 3.31Å; L744-T748 WeakPolarHBondContact O-CG2 3.49Å; L744-T748 PolarHBondContact O-N 3.43Å; L744-T748 PolarHBondContact O-OG1 2.86Å; L745-T748 WeakPolarHBondContact CA-OG1 3.24Å; L745-T748 PolarHBondContact O-N 3.01Å; L745-T748 PolarHBondContact O-OG1 3.11Å; I746-T748 VanDerWaalsContact C-N 3.3Å; I746-T748 PolarHBondContact O-N 3.47Å; T748-R750 VanDerWaalsContact C-N 3.29Å; T748-R750 PolarHBondContact O-N 3.35Å; T748-R750 PolarHBondContact OG1-NE 2.76Å
749	G	87.8	Confident	89.2	Confident	45 Å²	45	49.6 Å²	49.6	46%	0.464	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	9.4	178.4	0	0	0	0	0	114.6	L745 I746 R747 L751	L745-G749 PolarHBondContact O-N 2.87Å; I746-G749 PolarHBondContact O-N 2.89Å; R747-G749 PolarHBondContact O-N 2.91Å; G749-L751 PolarHBondContact O-N 3.11Å
750	R	89.9	Confident	89	Confident	73 Å²	73	50.2 Å²	50.2	28%	0.275	25%	0.25	S	S	.	.			trans	-86.8	59.3	-179.3	-68.6	-168.3	-88	-178.7	-10	111.7	L745 T748 E753 A754	L745-R750 HydrophobicContact CD2-CB 4.13Å; L745-R750 PolarHBondContact O-N 2.76Å; T748-R750 VanDerWaalsContact C-N 3.29Å; T748-R750 PolarHBondContact O-N 3.35Å; T748-R750 PolarHBondContact OG1-NE 2.76Å; R750-E753 HydrophobicContact CB-CB 4.35Å; R750-E753 WeakPolarHBondContact CD-OE1 3.45Å; R750-E753 IonicContact NH1-OE2 2.67Å; R750-E753 PolarHBondContact O-N 3.48Å; R750-A754 PolarHBondContact O-N 2.9Å
751	L	90.2	Very high	88.8	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-37.4	-173.2	-59.4	170	0	0	0	114.9	I746 G749 A754 A755 L772 W773 N776	I746-L751 HydrophobicContact CG1-CD2 4.37Å; I746-L751 HydrophobicContact CG2-CD2 4.31Å; G749-L751 PolarHBondContact O-N 3.11Å; L751-A754 PolarHBondContact O-N 2.61Å; L751-A755 WeakPolarHBondContact O-CB 3.27Å; L751-A755 PolarHBondContact O-N 3.24Å; L751-L772 HydrophobicContact CD2-CB 4.21Å; L751-W773 HydrophobicContact CB-CB 3.94Å; L751-W773 HydrophobicContact CB-CG 4.11Å; L751-N776 HydrophobicContact CD1-CB 3.48Å; L751-N776 VanDerWaalsContact CD1-CB 3.48Å
752	P	89.5	Confident	88.5	Confident	51 Å²	51	54.6 Å²	54.6	33%	0.331	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-44.8	174.2	-21.3	31.7	0	0	0	112.3	A754 A755 F756 W773	P752-A754 VanDerWaalsContact C-N 3.35Å; P752-A755 WeakPolarHBondContact O-CB 3.05Å; P752-A755 PolarHBondContact O-N 2.84Å; P752-F756 WeakPolarHBondContact O-CD2 3.35Å; P752-F756 PolarHBondContact O-N 2.79Å; P752-W773 HydrophobicContact CB-CH2 4.29Å; P752-W773 HydrophobicContact CB-CZ2 3.96Å; P752-W773 HydrophobicContact CG-CD2 4.47Å; P752-W773 HydrophobicContact CG-CZ2 3.91Å
753	E	90.9	Very high	88.2	Confident	98 Å²	98	55.1 Å²	55.1	46%	0.458	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-41.3	177	-67	169.6	-127.2	0	0	111	L745 R750 A755 F756 L757	L745-E753 HydrophobicContact CD1-CB 4.33Å; L745-E753 HydrophobicContact CD2-CB 4.41Å; R750-E753 HydrophobicContact CB-CB 4.35Å; R750-E753 WeakPolarHBondContact CD-OE1 3.45Å; R750-E753 IonicContact NH1-OE2 2.67Å; R750-E753 PolarHBondContact O-N 3.48Å; E753-A755 VanDerWaalsContact C-N 3.3Å; E753-A755 PolarHBondContact O-N 3.19Å; E753-F756 PolarHBondContact O-N 3.05Å; E753-L757 WeakPolarHBondContact O-CB 3.38Å; E753-L757 PolarHBondContact O-N 3.44Å
754	A	89.8	Confident	87.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-40	173.1	0	0	0	0	0	111.8	L742 L745 I746 R750 L751 P752 L757 A758 V769	L742-A754 HydrophobicContact CD1-CB 3.86Å; L742-A754 VanDerWaalsContact CD1-O 3.27Å; L742-A754 WeakPolarHBondContact CD1-O 3.49Å; L745-A754 HydrophobicContact CB-CB 3.8Å; L745-A754 HydrophobicContact CD1-CB 4.34Å; I746-A754 HydrophobicContact CG1-CB 4.18Å; R750-A754 PolarHBondContact O-N 2.9Å; L751-A754 PolarHBondContact O-N 2.61Å; P752-A754 VanDerWaalsContact C-N 3.35Å; A754-L757 PolarHBondContact O-N 3.49Å; A754-A758 VanDerWaalsContact O-CB 3.28Å; A754-A758 WeakPolarHBondContact O-CB 3.15Å; A754-A758 PolarHBondContact O-N 3.29Å; A754-V769 HydrophobicContact CB-CG1 3.68Å
755	A	87.6	Confident	87.7	Confident	10 Å²	10	56.7 Å²	56.7	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-37.8	178	0	0	0	0	0	112	L751 P752 E753 R759 V769 V770 W773	L751-A755 WeakPolarHBondContact O-CB 3.27Å; L751-A755 PolarHBondContact O-N 3.24Å; P752-A755 WeakPolarHBondContact O-CB 3.05Å; P752-A755 PolarHBondContact O-N 2.84Å; E753-A755 VanDerWaalsContact C-N 3.3Å; E753-A755 PolarHBondContact O-N 3.19Å; A755-R759 VanDerWaalsContact O-CB 3.29Å; A755-R759 WeakPolarHBondContact O-CB 3.5Å; A755-R759 PolarHBondContact O-N 2.93Å; A755-V769 HydrophobicContact CB-CG1 4.01Å; A755-V770 HydrophobicContact CB-CG2 4.44Å; A755-W773 HydrophobicContact CB-CE3 4.11Å; A755-W773 HydrophobicContact CB-CZ3 4.34Å
756	F	89.1	Confident	87.4	Confident	132 Å²	132	57 Å²	57	58%	0.579	28%	0.28	S	S	*	.	H	α-helix	trans	-67.2	-41.8	173.1	-79.9	-68.8	0	0	0	112.5	P752 E753 R759 T760	P752-F756 WeakPolarHBondContact O-CD2 3.35Å; P752-F756 PolarHBondContact O-N 2.79Å; E753-F756 PolarHBondContact O-N 3.05Å; F756-R759 PolarHBondContact O-N 3.4Å; F756-T760 WeakPolarHBondContact O-CB 3.49Å; F756-T760 PolarHBondContact O-N 2.79Å; F756-T760 VanDerWaalsContact O-N 3.1Å; F756-T760 PolarHBondContact O-OG1 2.9Å
757	L	88.8	Confident	87.2	Confident	17 Å²	17	56.4 Å²	56.4	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-47.7	175.9	-172.9	75.7	0	0	0	110.6	F729 V738 C741 L742 L745 E753 A754 R759 T760 Y761	F729-L757 HydrophobicContact CE2-CD2 4.13Å; F729-L757 HydrophobicContact CZ-CD1 4.29Å; F729-L757 HydrophobicContact CZ-CD2 4.4Å; V738-L757 HydrophobicContact CG1-CD2 4.32Å; V738-L757 HydrophobicContact CG1-CG 4.32Å; C741-L757 HydrophobicContact CB-CD2 3.83Å; L742-L757 HydrophobicContact CB-CD2 4.36Å; L742-L757 HydrophobicContact CD1-CD2 4.46Å; L745-L757 HydrophobicContact CD1-CB 4.22Å; L745-L757 HydrophobicContact CD1-CD2 3.85Å; E753-L757 WeakPolarHBondContact O-CB 3.38Å; E753-L757 PolarHBondContact O-N 3.44Å; A754-L757 PolarHBondContact O-N 3.49Å; L757-R759 PolarHBondContact O-N 2.9Å; L757-T760 PolarHBondContact O-N 2.89Å; L757-Y761 HydrophobicContact CD1-CD2 3.64Å; L757-Y761 HydrophobicContact CD1-CE2 4.06Å; L757-Y761 HydrophobicContact CG-CD2 4.4Å; L757-Y761 PolarHBondContact O-N 2.97Å
758	A	87.1	Confident	87.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-46.8	175.8	0	0	0	0	0	110.9	L742 A754 T760 L762 P763 V766 V769	L742-A758 HydrophobicContact CD1-CB 4.05Å; A754-A758 VanDerWaalsContact O-CB 3.28Å; A754-A758 WeakPolarHBondContact O-CB 3.15Å; A754-A758 PolarHBondContact O-N 3.29Å; A758-T760 PolarHBondContact O-N 3.13Å; A758-T760 VanDerWaalsContact O-N 3.16Å; A758-L762 CarbonylContact C-O 3.52Å; A758-L762 CarbonylContact O-C 3.58Å; A758-L762 WeakPolarHBondContact O-CA 3.42Å; A758-L762 PolarHBondContact O-N 3.26Å; A758-P763 WeakPolarHBondContact O-CA 3.24Å; A758-V766 VanDerWaalsContact C-CG2 3.47Å; A758-V766 HydrophobicContact CB-CG2 3.73Å; A758-V769 HydrophobicContact CB-CG2 4.41Å
759	R	84.9	Confident	87.2	Confident	162 Å²	162	50.9 Å²	50.9	61%	0.611	25%	0.253	S	S	*	.	H	α-helix	trans	-59.1	-34.2	179.2	-177.8	178.6	173.8	-175.7	-0.9	112.9	A755 F756 L757 V766	A755-R759 VanDerWaalsContact O-CB 3.29Å; A755-R759 WeakPolarHBondContact O-CB 3.5Å; A755-R759 PolarHBondContact O-N 2.93Å; F756-R759 PolarHBondContact O-N 3.4Å; L757-R759 PolarHBondContact O-N 2.9Å; R759-V766 HydrophobicContact CB-CG2 4.21Å
760	T	83.6	Confident	87.2	Confident	92 Å²	92	49.3 Å²	49.3	56%	0.564	23%	0.234	S	C	*	.	H	α-helix	trans	-87.1	-41.8	-175.1	-50.4	0	0	0	0	112.6	F756 L757 A758	F756-T760 WeakPolarHBondContact O-CB 3.49Å; F756-T760 PolarHBondContact O-N 2.79Å; F756-T760 VanDerWaalsContact O-N 3.1Å; F756-T760 PolarHBondContact O-OG1 2.9Å; L757-T760 PolarHBondContact O-N 2.89Å; A758-T760 PolarHBondContact O-N 3.13Å; A758-T760 VanDerWaalsContact O-N 3.16Å
761	Y	82.3	Confident	87.1	Confident	121 Å²	121	50.3 Å²	50.3	48%	0.475	24%	0.24	S	C	.	.	H	α-helix	trans	-121.9	-21.2	-168.3	-61.5	-80.3	0	0	0	114.8	F733 V738 L757	F733-Y761 HydrophobicContact CE2-CE2 4.14Å; F733-Y761 HydrophobicContact CZ-CE2 4.4Å; V738-Y761 HydrophobicContact CG1-CG 4.46Å; L757-Y761 HydrophobicContact CD1-CD2 3.64Å; L757-Y761 HydrophobicContact CD1-CE2 4.06Å; L757-Y761 HydrophobicContact CG-CD2 4.4Å; L757-Y761 PolarHBondContact O-N 2.97Å
762	L	84.9	Confident	87.1	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	25%	0.252	C	S	.	.			trans	-138	65.8	178.6	-79.6	163.2	0	0	0	111.5	V738 L742 A758 S764 Q765 E808	V738-L762 HydrophobicContact CB-CD1 3.76Å; V738-L762 HydrophobicContact CB-CG 4.22Å; V738-L762 HydrophobicContact CG1-CD1 3.48Å; V738-L762 VanDerWaalsContact CG1-CD1 3.48Å; V738-L762 HydrophobicContact CG1-CG 3.91Å; L742-L762 HydrophobicContact CB-CD1 4.44Å; L742-L762 HydrophobicContact CD2-CD1 4.27Å; A758-L762 CarbonylContact C-O 3.52Å; A758-L762 CarbonylContact O-C 3.58Å; A758-L762 WeakPolarHBondContact O-CA 3.42Å; A758-L762 PolarHBondContact O-N 3.26Å; L762-S764 PolarHBondContact O-N 3.28Å; L762-S764 VanDerWaalsContact O-N 3.1Å; L762-Q765 PolarHBondContact O-N 2.76Å; L762-E808 WeakPolarHBondContact CD2-OE1 3.39Å
763	P	83.5	Confident	87.1	Confident	14 Å²	14	52.9 Å²	52.9	9%	0.091	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-52.9	-33.5	-176.3	-28.7	35.3	0	0	0	113.9	A758 Q765 V766 L801 A804 F805 E808	A758-P763 WeakPolarHBondContact O-CA 3.24Å; P763-Q765 PolarHBondContact O-N 2.79Å; P763-V766 WeakPolarHBondContact O-CB 3.41Å; P763-V766 VanDerWaalsContact O-CG2 3.26Å; P763-V766 WeakPolarHBondContact O-CG2 3.42Å; P763-V766 PolarHBondContact O-N 2.85Å; P763-L801 HydrophobicContact CB-CD1 4.42Å; P763-A804 HydrophobicContact CB-CB 4.24Å; P763-A804 HydrophobicContact CG-CB 4Å; P763-F805 HydrophobicContact CB-CD1 4.02Å; P763-F805 HydrophobicContact CB-CE1 3.97Å; P763-E808 VanDerWaalsContact CD-OE2 3.28Å; P763-E808 WeakPolarHBondContact CD-OE2 3.07Å
764	S	85.6	Confident	86.9	Confident	53 Å²	53	51 Å²	51	37%	0.371	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-56.2	-32.4	178.1	62.5	0	0	0	0	113.9	L762 E808	L762-S764 PolarHBondContact O-N 3.28Å; L762-S764 VanDerWaalsContact O-N 3.1Å; S764-E808 VanDerWaalsContact CB-OE2 3.22Å; S764-E808 WeakPolarHBondContact CB-OE2 3.22Å; S764-E808 PolarHBondContact N-OE2 3.33Å; S764-E808 VanDerWaalsContact OG-CD 3.3Å; S764-E808 PolarHBondContact OG-OE1 2.93Å; S764-E808 PolarHBondContact OG-OE2 3.3Å; S764-E808 VanDerWaalsContact OG-OE2 3.07Å
765	Q	85.9	Confident	86.8	Confident	51 Å²	51	56.8 Å²	56.8	24%	0.238	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-90.7	-4.3	-176.8	-64.4	-68.3	-28.9	0	0	113.4	L742 L762 P763 S767 R768 V769	L742-Q765 HydrophobicContact CD2-CB 3.64Å; L742-Q765 HydrophobicContact CD2-CG 3.97Å; L762-Q765 PolarHBondContact O-N 2.76Å; P763-Q765 PolarHBondContact O-N 2.79Å; Q765-S767 PolarHBondContact O-N 2.95Å; Q765-R768 WeakPolarHBondContact O-CB 3.33Å; Q765-R768 PolarHBondContact O-N 3.39Å; Q765-V769 WeakPolarHBondContact O-CG2 3.28Å; Q765-V769 PolarHBondContact O-N 3.04Å; Q765-V769 VanDerWaalsContact O-N 3.08Å
766	V	86.2	Confident	86.8	Confident	13 Å²	13	60 Å²	60	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-45.2	-174.1	177.5	0	0	0	0	111.8	A758 R759 P763 R768 V769 V770 P791	A758-V766 VanDerWaalsContact C-CG2 3.47Å; A758-V766 HydrophobicContact CB-CG2 3.73Å; R759-V766 HydrophobicContact CB-CG2 4.21Å; P763-V766 WeakPolarHBondContact O-CB 3.41Å; P763-V766 VanDerWaalsContact O-CG2 3.26Å; P763-V766 WeakPolarHBondContact O-CG2 3.42Å; P763-V766 PolarHBondContact O-N 2.85Å; V766-R768 VanDerWaalsContact C-N 3.33Å; V766-R768 PolarHBondContact O-N 2.75Å; V766-V769 PolarHBondContact O-N 2.82Å; V766-V770 HydrophobicContact CG1-CG2 3.93Å; V766-V770 WeakPolarHBondContact O-CB 3.22Å; V766-V770 VanDerWaalsContact O-CG2 3.24Å; V766-V770 WeakPolarHBondContact O-CG2 3.35Å; V766-V770 PolarHBondContact O-N 3.11Å; V766-P791 HydrophobicContact CB-CG 4.4Å; V766-P791 HydrophobicContact CG1-CG 3.67Å
767	S	85.4	Confident	86.7	Confident	18 Å²	18	55.5 Å²	55.5	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-42.9	179.1	177.9	0	0	0	0	111.6	Q765 V769 V770 K771 D790 T792	Q765-S767 PolarHBondContact O-N 2.95Å; S767-V769 PolarHBondContact O-N 2.89Å; S767-V770 PolarHBondContact O-N 3.14Å; S767-K771 WeakPolarHBondContact O-CB 3.48Å; S767-K771 VanDerWaalsContact O-CG 3.28Å; S767-K771 WeakPolarHBondContact O-CG 3.44Å; S767-K771 PolarHBondContact O-N 3.47Å; S767-K771 WeakPolarHBondContact OG-CE 3.41Å; S767-D790 VanDerWaalsContact CB-OD1 3.28Å; S767-D790 WeakPolarHBondContact CB-OD1 3.27Å; S767-D790 VanDerWaalsContact OG-CG 3.31Å; S767-D790 PolarHBondContact OG-OD1 3.18Å; S767-D790 PolarHBondContact OG-OD2 3.3Å; S767-T792 PolarHBondContact OG-OG1 3.4Å
768	R	89.3	Confident	86.7	Confident	104 Å²	104	57.5 Å²	57.5	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-48.9	176.2	178.8	-171.7	170.3	-154.8	-8.5	111.4	E743 Q765 V766 K771 L772	E743-R768 IonicContact OE1-CZ 2.99Å; E743-R768 IonicContact OE1-NH1 2.92Å; E743-R768 PolarHBondContact OE1-NH1 2.73Å; E743-R768 IonicContact OE1-NH2 3.45Å; E743-R768 PolarHBondContact OE1-NH2 2.82Å; E743-R768 IonicContact OE2-NH2 2.96Å; E743-R768 PolarHBondContact OE2-NH2 3.29Å; Q765-R768 WeakPolarHBondContact O-CB 3.33Å; Q765-R768 PolarHBondContact O-N 3.39Å; V766-R768 VanDerWaalsContact C-N 3.33Å; V766-R768 PolarHBondContact O-N 2.75Å; R768-K771 PolarHBondContact O-N 3.48Å; R768-L772 HydrophobicContact CG-CD1 4.47Å; R768-L772 WeakPolarHBondContact O-CG 3.47Å; R768-L772 PolarHBondContact O-N 3.02Å; R768-L772 VanDerWaalsContact O-N 3.14Å
769	V	88.4	Confident	86.7	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.6	-39.6	-176.4	-178.2	0	0	0	0	111.5	L742 I746 A754 A755 A758 Q765 V766 S767 K771 L772 W773	L742-V769 HydrophobicContact CD1-CG2 4.03Å; L742-V769 HydrophobicContact CD2-CG2 4.2Å; L742-V769 HydrophobicContact CG-CG2 4.4Å; I746-V769 HydrophobicContact CD1-CG2 4.14Å; A754-V769 HydrophobicContact CB-CG1 3.68Å; A755-V769 HydrophobicContact CB-CG1 4.01Å; A758-V769 HydrophobicContact CB-CG2 4.41Å; Q765-V769 WeakPolarHBondContact O-CG2 3.28Å; Q765-V769 PolarHBondContact O-N 3.04Å; Q765-V769 VanDerWaalsContact O-N 3.08Å; V766-V769 PolarHBondContact O-N 2.82Å; S767-V769 PolarHBondContact O-N 2.89Å; V769-K771 VanDerWaalsContact C-N 3.32Å; V769-K771 PolarHBondContact O-N 3.06Å; V769-L772 PolarHBondContact O-N 3.32Å; V769-W773 WeakPolarHBondContact O-CB 3.21Å; V769-W773 PolarHBondContact O-N 2.78Å
770	V	88	Confident	86.7	Confident	11 Å²	11	64 Å²	64	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-36.5	176.7	172.2	0	0	0	0	111.1	A755 V766 S767 W773 R774 L788	A755-V770 HydrophobicContact CB-CG2 4.44Å; V766-V770 HydrophobicContact CG1-CG2 3.93Å; V766-V770 WeakPolarHBondContact O-CB 3.22Å; V766-V770 VanDerWaalsContact O-CG2 3.24Å; V766-V770 WeakPolarHBondContact O-CG2 3.35Å; V766-V770 PolarHBondContact O-N 3.11Å; S767-V770 PolarHBondContact O-N 3.14Å; V770-W773 PolarHBondContact O-N 2.96Å; V770-R774 VanDerWaalsContact O-CB 3.27Å; V770-R774 WeakPolarHBondContact O-CB 3.45Å; V770-R774 PolarHBondContact O-N 2.83Å; V770-L788 HydrophobicContact CG1-CB 4.41Å
771	K	88.6	Confident	86.9	Confident	95 Å²	95	63.4 Å²	63.4	41%	0.413	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-50	171.8	-74.7	173.8	-171.6	174	0	111.8	S767 R768 V769 W773 R774 E775 D790	S767-K771 WeakPolarHBondContact O-CB 3.48Å; S767-K771 VanDerWaalsContact O-CG 3.28Å; S767-K771 WeakPolarHBondContact O-CG 3.44Å; S767-K771 PolarHBondContact O-N 3.47Å; S767-K771 WeakPolarHBondContact OG-CE 3.41Å; R768-K771 PolarHBondContact O-N 3.48Å; V769-K771 VanDerWaalsContact C-N 3.32Å; V769-K771 PolarHBondContact O-N 3.06Å; K771-W773 VanDerWaalsContact C-N 3.26Å; K771-W773 PolarHBondContact O-N 2.84Å; K771-R774 WeakPolarHBondContact O-CB 3.42Å; K771-R774 PolarHBondContact O-N 3.28Å; K771-E775 WeakPolarHBondContact O-CG 3.49Å; K771-E775 PolarHBondContact O-N 2.99Å; K771-D790 WeakPolarHBondContact CE-OD2 3.13Å; K771-D790 IonicContact NZ-OD2 2.7Å
772	L	89	Confident	87	Confident	57 Å²	57	64 Å²	64	30%	0.298	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-39.6	175.7	-68.7	171.6	0	0	0	111.6	I746 L751 R768 V769 N776	I746-L772 HydrophobicContact CG2-CD1 4.17Å; L751-L772 HydrophobicContact CD2-CB 4.21Å; R768-L772 HydrophobicContact CG-CD1 4.47Å; R768-L772 WeakPolarHBondContact O-CG 3.47Å; R768-L772 PolarHBondContact O-N 3.02Å; R768-L772 VanDerWaalsContact O-N 3.14Å; V769-L772 PolarHBondContact O-N 3.32Å; L772-N776 WeakPolarHBondContact O-CB 3.32Å; L772-N776 PolarHBondContact O-N 2.81Å
773	W	89.4	Confident	87	Confident	58 Å²	58	72 Å²	72	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-45.3	175.8	-174.8	17.7	0	0	0	111.9	L751 P752 A755 V769 V770 K771 E775 N776 L777 L788	L751-W773 HydrophobicContact CB-CB 3.94Å; L751-W773 HydrophobicContact CB-CG 4.11Å; P752-W773 HydrophobicContact CB-CH2 4.29Å; P752-W773 HydrophobicContact CB-CZ2 3.96Å; P752-W773 HydrophobicContact CG-CD2 4.47Å; P752-W773 HydrophobicContact CG-CZ2 3.91Å; A755-W773 HydrophobicContact CB-CE3 4.11Å; A755-W773 HydrophobicContact CB-CZ3 4.34Å; V769-W773 WeakPolarHBondContact O-CB 3.21Å; V769-W773 PolarHBondContact O-N 2.78Å; V770-W773 PolarHBondContact O-N 2.96Å; K771-W773 VanDerWaalsContact C-N 3.26Å; K771-W773 PolarHBondContact O-N 2.84Å; W773-E775 PolarHBondContact O-N 2.83Å; W773-N776 PolarHBondContact O-N 3.39Å; W773-L777 WeakPolarHBondContact O-CB 3.38Å; W773-L777 PolarHBondContact O-N 3.22Å; W773-L788 HydrophobicContact CB-CD1 4.45Å; W773-L788 HydrophobicContact CD2-CD1 3.44Å; W773-L788 VanDerWaalsContact CD2-CD1 3.44Å; W773-L788 HydrophobicContact CD2-CD2 4.24Å; W773-L788 HydrophobicContact CD2-CG 4.49Å; W773-L788 HydrophobicContact CE3-CD1 3.72Å; W773-L788 HydrophobicContact CE3-CD2 3.85Å; W773-L788 HydrophobicContact CE3-CG 4.39Å; W773-L788 HydrophobicContact CG-CD1 3.8Å; W773-L788 HydrophobicContact CH2-CD1 4.35Å; W773-L788 HydrophobicContact CH2-CD2 3.38Å; W773-L788 HydrophobicContact CZ2-CD1 4.1Å; W773-L788 HydrophobicContact CZ2-CD2 3.79Å; W773-L788 HydrophobicContact CZ3-CD1 4.17Å; W773-L788 HydrophobicContact CZ3-CD2 3.41Å; W773-L788 VanDerWaalsContact CZ3-CD2 3.41Å; W773-L788 HydrophobicContact CZ3-CG 4.41Å
774	R	87.1	Confident	86.8	Confident	60 Å²	60	72.7 Å²	72.7	23%	0.226	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-46	176.3	-173	-174.3	-73.3	174.9	-1.4	110.8	V770 K771 L777 S778 A785 L788 E793	V770-R774 VanDerWaalsContact O-CB 3.27Å; V770-R774 WeakPolarHBondContact O-CB 3.45Å; V770-R774 PolarHBondContact O-N 2.83Å; K771-R774 WeakPolarHBondContact O-CB 3.42Å; K771-R774 PolarHBondContact O-N 3.28Å; R774-L777 PolarHBondContact O-N 3.43Å; R774-S778 VanDerWaalsContact O-CB 3.26Å; R774-S778 WeakPolarHBondContact O-CB 3.24Å; R774-S778 PolarHBondContact O-N 3.27Å; R774-A785 HydrophobicContact CG-CB 4.13Å; R774-A785 WeakPolarHBondContact O-CB 3.28Å; R774-L788 PolarHBondContact NE-O 3.32Å; R774-L788 PolarHBondContact NH2-O 2.87Å; R774-E793 IonicContact CZ-OE2 2.81Å; R774-E793 IonicContact NH1-OE1 2.8Å; R774-E793 PolarHBondContact NH1-OE1 3.01Å; R774-E793 IonicContact NH1-OE2 3.45Å; R774-E793 PolarHBondContact NH1-OE2 2.89Å; R774-E793 IonicContact NH2-OE2 3.14Å; R774-E793 PolarHBondContact NH2-OE2 3.15Å
775	E	88.5	Confident	86.6	Confident	121 Å²	121	70.3 Å²	70.3	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-62.3	-46.2	176.6	-73.6	177.1	-174.7	0	0	112.3	K771 W773 S778	K771-E775 WeakPolarHBondContact O-CG 3.49Å; K771-E775 PolarHBondContact O-N 2.99Å; W773-E775 PolarHBondContact O-N 2.83Å; E775-S778 PolarHBondContact O-N 2.82Å; E775-S778 PolarHBondContact O-OG 3.02Å
776	N	87.2	Confident	86.3	Confident	76 Å²	76	74.4 Å²	74.4	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-46.3	178.1	-169.4	-66.8	0	0	0	111.6	L751 L772 W773 S778 K779	L751-N776 HydrophobicContact CD1-CB 3.48Å; L751-N776 VanDerWaalsContact CD1-CB 3.48Å; L772-N776 WeakPolarHBondContact O-CB 3.32Å; L772-N776 PolarHBondContact O-N 2.81Å; W773-N776 PolarHBondContact O-N 3.39Å; N776-S778 VanDerWaalsContact C-N 3.3Å; N776-S778 PolarHBondContact O-N 2.94Å; N776-K779 WeakPolarHBondContact O-CB 3.29Å; N776-K779 PolarHBondContact O-N 3.13Å
777	L	87.6	Confident	86.2	Confident	38 Å²	38	78.2 Å²	78.2	20%	0.199	39%	0.389	C	S	.	.	H	α-helix	trans	-66.6	-32.4	-179.3	-171	60.6	0	0	0	111.8	W773 R774 K779 V780 N781 A784 A785 L788	W773-L777 WeakPolarHBondContact O-CB 3.38Å; W773-L777 PolarHBondContact O-N 3.22Å; R774-L777 PolarHBondContact O-N 3.43Å; L777-K779 PolarHBondContact O-N 3.37Å; L777-V780 PolarHBondContact O-N 2.72Å; L777-N781 CarbonylContact O-C 3.56Å; L777-N781 PolarHBondContact O-N 2.98Å; L777-A784 HydrophobicContact CD2-CB 3.85Å; L777-A784 HydrophobicContact CG-CB 4.23Å; L777-A785 HydrophobicContact CB-CB 4.16Å; L777-A785 HydrophobicContact CD2-CB 4.47Å; L777-A785 HydrophobicContact CG-CB 4.27Å; L777-L788 HydrophobicContact CD2-CD1 3.77Å; L777-L788 HydrophobicContact CD2-CG 4.4Å
778	S	87.6	Confident	86	Confident	59 Å²	59	78.5 Å²	78.5	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-60.7	-27.5	176.9	74.8	0	0	0	0	113.1	R774 E775 N776 V780	R774-S778 VanDerWaalsContact O-CB 3.26Å; R774-S778 WeakPolarHBondContact O-CB 3.24Å; R774-S778 PolarHBondContact O-N 3.27Å; E775-S778 PolarHBondContact O-N 2.82Å; E775-S778 PolarHBondContact O-OG 3.02Å; N776-S778 VanDerWaalsContact C-N 3.3Å; N776-S778 PolarHBondContact O-N 2.94Å; S778-V780 VanDerWaalsContact C-N 3.25Å; S778-V780 PolarHBondContact O-N 2.88Å
779	K	87.4	Confident	85.5	Confident	178 Å²	178	75 Å²	75	77%	0.774	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.9	174.6	-60.1	175.8	-178.2	177.2	0	112.7	N776 L777	N776-K779 WeakPolarHBondContact O-CB 3.29Å; N776-K779 PolarHBondContact O-N 3.13Å; L777-K779 PolarHBondContact O-N 3.37Å
780	V	85.3	Confident	85.1	Confident	121 Å²	121	75 Å²	75	73%	0.733	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-47.2	-176.3	-175.6	0	0	0	0	111.4	L777 S778	L777-V780 PolarHBondContact O-N 2.72Å; S778-V780 VanDerWaalsContact C-N 3.25Å; S778-V780 PolarHBondContact O-N 2.88Å
781	N	87.1	Confident	84.5	Confident	80 Å²	80	74.7 Å²	74.7	43%	0.428	38%	0.381	S	S	.	.			trans	-151.1	104.8	-179.5	-175.3	-13.8	0	0	0	111.2	L777 K783 A784 A785	L777-N781 CarbonylContact O-C 3.56Å; L777-N781 PolarHBondContact O-N 2.98Å; N781-K783 PolarHBondContact O-N 2.92Å; N781-K783 PolarHBondContact OD1-N 2.97Å; N781-K783 VanDerWaalsContact OD1-N 3.11Å; N781-A784 HydrophobicContact CB-CB 4.06Å; N781-A784 PolarHBondContact O-N 3.06Å; N781-A784 PolarHBondContact OD1-N 2.86Å; N781-A785 PolarHBondContact O-N 3.28Å; N781-A785 VanDerWaalsContact O-N 3.12Å
782	Q	84.6	Confident	83.8	Confident	134 Å²	134	74.4 Å²	74.4	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-62.5	-38.8	-178.7	-165.9	168.2	5	0	0	113.3	A784 A785 E786	Q782-A784 VanDerWaalsContact C-N 3.34Å; Q782-A784 PolarHBondContact O-N 3.32Å; Q782-A785 PolarHBondContact O-N 2.86Å; Q782-E786 WeakPolarHBondContact O-CG 3.17Å; Q782-E786 PolarHBondContact O-N 3.35Å
783	K	84.6	Confident	83.1	Confident	172 Å²	172	76.6 Å²	76.6	75%	0.748	40%	0.396	S	S	*	.	H	α-helix	trans	-66.3	-36.7	179.1	-69.7	-175.5	178.3	-179.6	0	112.5	N781 S787	N781-K783 PolarHBondContact O-N 2.92Å; N781-K783 PolarHBondContact OD1-N 2.97Å; N781-K783 VanDerWaalsContact OD1-N 3.11Å; K783-S787 PolarHBondContact O-N 2.89Å
784	A	80.9	Confident	82.5	Confident	28 Å²	28	79.4 Å²	79.4	23%	0.231	41%	0.407	C	S	.	.	H	α-helix	trans	-71.1	-37.8	176.8	0	0	0	0	0	111.1	L777 N781 Q782 E786 S787	L777-A784 HydrophobicContact CD2-CB 3.85Å; L777-A784 HydrophobicContact CG-CB 4.23Å; N781-A784 HydrophobicContact CB-CB 4.06Å; N781-A784 PolarHBondContact O-N 3.06Å; N781-A784 PolarHBondContact OD1-N 2.86Å; Q782-A784 VanDerWaalsContact C-N 3.34Å; Q782-A784 PolarHBondContact O-N 3.32Å; A784-E786 PolarHBondContact O-N 2.64Å; A784-S787 PolarHBondContact O-N 3.47Å; A784-S787 PolarHBondContact O-OG 2.71Å
785	A	80.5	Confident	81.6	Confident	2 Å²	2	81.7 Å²	81.7	2%	0.017	42%	0.421	C	S	.	.	H	α-helix	trans	-61.2	-42.3	174.4	0	0	0	0	0	112.6	R774 L777 N781 Q782 S787 L788	R774-A785 HydrophobicContact CG-CB 4.13Å; R774-A785 WeakPolarHBondContact O-CB 3.28Å; L777-A785 HydrophobicContact CB-CB 4.16Å; L777-A785 HydrophobicContact CD2-CB 4.47Å; L777-A785 HydrophobicContact CG-CB 4.27Å; N781-A785 PolarHBondContact O-N 3.28Å; N781-A785 VanDerWaalsContact O-N 3.12Å; Q782-A785 PolarHBondContact O-N 2.86Å; A785-S787 PolarHBondContact O-N 3.38Å; A785-L788 PolarHBondContact O-N 2.83Å
786	E	80.4	Confident	81	Confident	137 Å²	137	82.4 Å²	82.4	64%	0.64	43%	0.428	S	S	*	.	H	α-helix	trans	-65.3	-22.7	176.6	-71.7	170.1	-173.6	0	0	113.3	Q782 A784 L788	Q782-E786 WeakPolarHBondContact O-CG 3.17Å; Q782-E786 PolarHBondContact O-N 3.35Å; A784-E786 PolarHBondContact O-N 2.64Å; E786-L788 VanDerWaalsContact C-N 3.33Å
787	S	82.4	Confident	80.4	Confident	93 Å²	93	83.8 Å²	83.8	65%	0.65	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.4	177.4	75	0	0	0	0	114.3	K783 A784 A785 A789	K783-S787 PolarHBondContact O-N 2.89Å; A784-S787 PolarHBondContact O-N 3.47Å; A784-S787 PolarHBondContact O-OG 2.71Å; A785-S787 PolarHBondContact O-N 3.38Å; S787-A789 PolarHBondContact O-N 2.97Å
788	L	81.8	Confident	79.9	Confident	25 Å²	25	84.4 Å²	84.4	13%	0.131	44%	0.436	C	S	.	.			trans	-80	104.6	177.4	-64.8	175.6	0	0	0	110	V770 W773 R774 L777 A785 E786	V770-L788 HydrophobicContact CG1-CB 4.41Å; W773-L788 HydrophobicContact CB-CD1 4.45Å; W773-L788 HydrophobicContact CD2-CD1 3.44Å; W773-L788 VanDerWaalsContact CD2-CD1 3.44Å; W773-L788 HydrophobicContact CD2-CD2 4.24Å; W773-L788 HydrophobicContact CD2-CG 4.49Å; W773-L788 HydrophobicContact CE3-CD1 3.72Å; W773-L788 HydrophobicContact CE3-CD2 3.85Å; W773-L788 HydrophobicContact CE3-CG 4.39Å; W773-L788 HydrophobicContact CG-CD1 3.8Å; W773-L788 HydrophobicContact CH2-CD1 4.35Å; W773-L788 HydrophobicContact CH2-CD2 3.38Å; W773-L788 HydrophobicContact CZ2-CD1 4.1Å; W773-L788 HydrophobicContact CZ2-CD2 3.79Å; W773-L788 HydrophobicContact CZ3-CD1 4.17Å; W773-L788 HydrophobicContact CZ3-CD2 3.41Å; W773-L788 VanDerWaalsContact CZ3-CD2 3.41Å; W773-L788 HydrophobicContact CZ3-CG 4.41Å; R774-L788 PolarHBondContact NE-O 3.32Å; R774-L788 PolarHBondContact NH2-O 2.87Å; L777-L788 HydrophobicContact CD2-CD1 3.77Å; L777-L788 HydrophobicContact CD2-CG 4.4Å; A785-L788 PolarHBondContact O-N 2.83Å; E786-L788 VanDerWaalsContact C-N 3.33Å
789	A	79.1	Confident	79.2	Confident	30 Å²	30	87.6 Å²	87.6	25%	0.248	46%	0.455	C	S	.	.			trans	-74.1	128.8	176.7	0	0	0	0	0	111.3	S787 Y794 L797 F798	S787-A789 PolarHBondContact O-N 2.97Å; A789-Y794 HydrophobicContact CB-CD2 4.16Å; A789-L797 HydrophobicContact CB-CD1 3.93Å; A789-F798 HydrophobicContact CB-CE2 4.04Å; A789-F798 HydrophobicContact CB-CZ 4.3Å
790	D	79.1	Confident	78.6	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	44%	0.436	C	S	.	.			trans	-83	128.9	170.4	-172.8	-29.3	0	0	0	109	S767 K771 T792 E793 Y794	S767-D790 VanDerWaalsContact CB-OD1 3.28Å; S767-D790 WeakPolarHBondContact CB-OD1 3.27Å; S767-D790 VanDerWaalsContact OG-CG 3.31Å; S767-D790 PolarHBondContact OG-OD1 3.18Å; S767-D790 PolarHBondContact OG-OD2 3.3Å; K771-D790 WeakPolarHBondContact CE-OD2 3.13Å; K771-D790 IonicContact NZ-OD2 2.7Å; D790-T792 PolarHBondContact O-N 3.48Å; D790-T792 VanDerWaalsContact O-N 3.15Å; D790-T792 PolarHBondContact OD1-N 3.14Å; D790-T792 PolarHBondContact OD1-OG1 3.21Å; D790-T792 PolarHBondContact OD2-OG1 2.99Å; D790-E793 HydrophobicContact CB-CB 4.11Å; D790-E793 HydrophobicContact CB-CG 3.92Å; D790-E793 PolarHBondContact O-N 2.72Å; D790-E793 VanDerWaalsContact O-N 3.1Å; D790-Y794 PolarHBondContact O-N 3.34Å
791	P	75.5	Confident	78.2	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.032	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.9	177.1	-24.3	32.6	0	0	0	115	V766 E795 F798 L801	V766-P791 HydrophobicContact CB-CG 4.4Å; V766-P791 HydrophobicContact CG1-CG 3.67Å; P791-E795 PolarHBondContact O-N 3.24Å; P791-F798 HydrophobicContact CB-CD2 3.99Å; P791-F798 HydrophobicContact CB-CE2 4.26Å; P791-F798 HydrophobicContact CB-CG 4.17Å; P791-F798 HydrophobicContact CG-CD1 4.33Å; P791-F798 HydrophobicContact CG-CD2 4.22Å; P791-F798 HydrophobicContact CG-CE1 4.18Å; P791-F798 HydrophobicContact CG-CE2 4.07Å; P791-F798 HydrophobicContact CG-CG 4.35Å; P791-F798 HydrophobicContact CG-CZ 4.04Å; P791-L801 HydrophobicContact CB-CD2 3.63Å
792	T	74.3	Confident	77.6	Confident	89 Å²	89	78.7 Å²	78.7	55%	0.546	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-30.8	177.1	57	0	0	0	0	113.1	S767 D790	S767-T792 PolarHBondContact OG-OG1 3.4Å; D790-T792 PolarHBondContact O-N 3.48Å; D790-T792 VanDerWaalsContact O-N 3.15Å; D790-T792 PolarHBondContact OD1-N 3.14Å; D790-T792 PolarHBondContact OD1-OG1 3.21Å; D790-T792 PolarHBondContact OD2-OG1 2.99Å
793	E	75.5	Confident	77.3	Confident	103 Å²	103	78.1 Å²	78.1	48%	0.481	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-29.2	179.7	-64	175.5	162.2	0	0	111.5	R774 D790	R774-E793 IonicContact CZ-OE2 2.81Å; R774-E793 IonicContact NH1-OE1 2.8Å; R774-E793 PolarHBondContact NH1-OE1 3.01Å; R774-E793 IonicContact NH1-OE2 3.45Å; R774-E793 PolarHBondContact NH1-OE2 2.89Å; R774-E793 IonicContact NH2-OE2 3.14Å; R774-E793 PolarHBondContact NH2-OE2 3.15Å; D790-E793 HydrophobicContact CB-CB 4.11Å; D790-E793 HydrophobicContact CB-CG 3.92Å; D790-E793 PolarHBondContact O-N 2.72Å; D790-E793 VanDerWaalsContact O-N 3.1Å
794	Y	75.9	Confident	77	Confident	116 Å²	116	71.1 Å²	71.1	46%	0.455	39%	0.386	S	S	.	.			trans	-133.7	62.2	-174.1	-60.2	-80.5	0	0	0	112.4	A789 D790 N796 L797	A789-Y794 HydrophobicContact CB-CD2 4.16Å; D790-Y794 PolarHBondContact O-N 3.34Å; Y794-N796 PolarHBondContact O-N 2.93Å; Y794-N796 VanDerWaalsContact O-N 3.08Å; Y794-L797 HydrophobicContact CD1-CD1 4.45Å; Y794-L797 HydrophobicContact CG-CD1 4.13Å; Y794-L797 PolarHBondContact O-N 2.96Å
795	E	68.5	Low	77	Confident	109 Å²	109	73.6 Å²	73.6	51%	0.509	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-51.3	-35.4	179.9	-71.6	-163.2	158.4	0	0	113.2	P791 L797 F798 K802	P791-E795 PolarHBondContact O-N 3.24Å; E795-L797 PolarHBondContact O-N 3.1Å; E795-F798 PolarHBondContact O-N 3.37Å; E795-F798 VanDerWaalsContact O-N 3.1Å; E795-K802 VanDerWaalsContact CD-NZ 3.34Å; E795-K802 VanDerWaalsContact OE1-CE 3.24Å; E795-K802 WeakPolarHBondContact OE1-CE 3.42Å; E795-K802 IonicContact OE1-NZ 2.91Å; E795-K802 PolarHBondContact OE1-NZ 2.76Å; E795-K802 IonicContact OE2-NZ 3.85Å; E795-K802 PolarHBondContact OE2-NZ 2.82Å
796	N	75	Confident	77	Confident	136 Å²	136	75.9 Å²	75.9	73%	0.727	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.6	179.7	51.5	-46.3	0	0	0	114.4	Y794	Y794-N796 PolarHBondContact O-N 2.93Å; Y794-N796 VanDerWaalsContact O-N 3.08Å
797	L	74.3	Confident	77	Confident	105 Å²	105	70.3 Å²	70.3	55%	0.55	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-88.5	-9.8	175.9	-65.6	175.2	0	0	0	113.1	A789 Y794 E795 P799	A789-L797 HydrophobicContact CB-CD1 3.93Å; Y794-L797 HydrophobicContact CD1-CD1 4.45Å; Y794-L797 HydrophobicContact CG-CD1 4.13Å; Y794-L797 PolarHBondContact O-N 2.96Å; E795-L797 PolarHBondContact O-N 3.1Å; L797-P799 WeakPolarHBondContact O-CD 3.03Å
798	F	77.3	Confident	77	Confident	51 Å²	51	66.6 Å²	66.6	22%	0.224	35%	0.353	C	S	.	.	S	Bend	trans	-126.9	71.6	-174.8	-63.1	-88.8	0	0	0	111.6	A789 P791 E795 G800 L801	A789-F798 HydrophobicContact CB-CE2 4.04Å; A789-F798 HydrophobicContact CB-CZ 4.3Å; P791-F798 HydrophobicContact CB-CD2 3.99Å; P791-F798 HydrophobicContact CB-CE2 4.26Å; P791-F798 HydrophobicContact CB-CG 4.17Å; P791-F798 HydrophobicContact CG-CD1 4.33Å; P791-F798 HydrophobicContact CG-CD2 4.22Å; P791-F798 HydrophobicContact CG-CE1 4.18Å; P791-F798 HydrophobicContact CG-CE2 4.07Å; P791-F798 HydrophobicContact CG-CG 4.35Å; P791-F798 HydrophobicContact CG-CZ 4.04Å; E795-F798 PolarHBondContact O-N 3.37Å; E795-F798 VanDerWaalsContact O-N 3.1Å; F798-G800 PolarHBondContact O-N 2.82Å; F798-L801 HydrophobicContact CB-CB 4.49Å; F798-L801 PolarHBondContact O-N 2.76Å
799	P	74.5	Confident	77	Confident	125 Å²	125	69.4 Å²	69.4	81%	0.812	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	136.7	178.6	27.4	-33.9	0	0	0	111.1	L797	L797-P799 WeakPolarHBondContact O-CD 3.03Å
800	G	74.7	Confident	77.1	Confident	35 Å²	35	69.8 Å²	69.8	36%	0.361	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	2.2	178.1	0	0	0	0	0	115.8	F798 K802 E803 A804	F798-G800 PolarHBondContact O-N 2.82Å; G800-K802 PolarHBondContact O-N 2.77Å; G800-E803 PolarHBondContact O-N 2.88Å; G800-A804 PolarHBondContact O-N 2.87Å
801	L	76.6	Confident	77.1	Confident	37 Å²	37	72.1 Å²	72.1	19%	0.194	37%	0.374	C	S	.	.	H	α-helix	trans	-60.6	-39.8	-178.9	-172.4	70.9	0	0	0	113.5	P763 P791 F798 E803 A804 F805	P763-L801 HydrophobicContact CB-CD1 4.42Å; P791-L801 HydrophobicContact CB-CD2 3.63Å; F798-L801 HydrophobicContact CB-CB 4.49Å; F798-L801 PolarHBondContact O-N 2.76Å; L801-E803 VanDerWaalsContact C-N 3.32Å; L801-E803 PolarHBondContact O-N 2.85Å; L801-A804 WeakPolarHBondContact O-CB 3.4Å; L801-A804 PolarHBondContact O-N 2.8Å; L801-F805 HydrophobicContact CD1-CE1 4.25Å; L801-F805 HydrophobicContact CD1-CZ 4.08Å; L801-F805 HydrophobicContact CD2-CE2 4.21Å; L801-F805 HydrophobicContact CD2-CZ 3.91Å; L801-F805 HydrophobicContact CG-CE1 4.28Å; L801-F805 HydrophobicContact CG-CE2 3.92Å; L801-F805 HydrophobicContact CG-CZ 3.67Å; L801-F805 WeakPolarHBondContact O-CD2 3.44Å; L801-F805 PolarHBondContact O-N 2.88Å; L801-F805 VanDerWaalsContact O-N 3.14Å
802	K	75.1	Confident	77.1	Confident	120 Å²	120	76.8 Å²	76.8	52%	0.522	39%	0.394	S	S	.	.	H	α-helix	trans	-66.2	-35	178.8	-68.5	178.2	179.2	165	0	112.2	E795 G800	E795-K802 VanDerWaalsContact CD-NZ 3.34Å; E795-K802 VanDerWaalsContact OE1-CE 3.24Å; E795-K802 WeakPolarHBondContact OE1-CE 3.42Å; E795-K802 IonicContact OE1-NZ 2.91Å; E795-K802 PolarHBondContact OE1-NZ 2.76Å; E795-K802 IonicContact OE2-NZ 3.85Å; E795-K802 PolarHBondContact OE2-NZ 2.82Å; G800-K802 PolarHBondContact O-N 2.77Å
803	E	76.9	Confident	77.2	Confident	123 Å²	123	77 Å²	77	58%	0.575	39%	0.389	S	S	*	.	H	α-helix	trans	-71	-36.3	174.2	-62.1	175.7	-176.7	0	0	110.8	G800 L801 F805 V806 V807 M836	G800-E803 PolarHBondContact O-N 2.88Å; L801-E803 VanDerWaalsContact C-N 3.32Å; L801-E803 PolarHBondContact O-N 2.85Å; E803-F805 VanDerWaalsContact C-N 3.35Å; E803-F805 PolarHBondContact O-N 3.4Å; E803-V806 PolarHBondContact O-N 3.4Å; E803-V807 VanDerWaalsContact O-CG2 3.27Å; E803-V807 WeakPolarHBondContact O-CG2 3.27Å; E803-V807 PolarHBondContact O-N 2.86Å; E803-V807 VanDerWaalsContact O-N 3.1Å; E803-M836 HydrophobicContact CB-CE 3.69Å
804	A	79.4	Confident	77	Confident	24 Å²	24	75 Å²	75	20%	0.198	38%	0.384	C	S	.	.	H	α-helix	trans	-64.9	-33.3	176.9	0	0	0	0	0	113.4	P763 G800 L801 V807 E808	P763-A804 HydrophobicContact CB-CB 4.24Å; P763-A804 HydrophobicContact CG-CB 4Å; G800-A804 PolarHBondContact O-N 2.87Å; L801-A804 WeakPolarHBondContact O-CB 3.4Å; L801-A804 PolarHBondContact O-N 2.8Å; A804-V807 PolarHBondContact O-N 3.3Å; A804-E808 WeakPolarHBondContact O-CB 3.3Å; A804-E808 PolarHBondContact O-N 2.88Å
805	F	81	Confident	76.6	Confident	80 Å²	80	73.5 Å²	73.5	35%	0.351	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-41.8	173.7	-63	-40	0	0	0	112.5	P763 L801 E803 V807 E808 E809	P763-F805 HydrophobicContact CB-CD1 4.02Å; P763-F805 HydrophobicContact CB-CE1 3.97Å; L801-F805 HydrophobicContact CD1-CE1 4.25Å; L801-F805 HydrophobicContact CD1-CZ 4.08Å; L801-F805 HydrophobicContact CD2-CE2 4.21Å; L801-F805 HydrophobicContact CD2-CZ 3.91Å; L801-F805 HydrophobicContact CG-CE1 4.28Å; L801-F805 HydrophobicContact CG-CE2 3.92Å; L801-F805 HydrophobicContact CG-CZ 3.67Å; L801-F805 WeakPolarHBondContact O-CD2 3.44Å; L801-F805 PolarHBondContact O-N 2.88Å; L801-F805 VanDerWaalsContact O-N 3.14Å; E803-F805 VanDerWaalsContact C-N 3.35Å; E803-F805 PolarHBondContact O-N 3.4Å; F805-V807 VanDerWaalsContact C-N 3.27Å; F805-V807 PolarHBondContact O-N 2.91Å; F805-E808 WeakPolarHBondContact O-CB 3.42Å; F805-E808 PolarHBondContact O-N 2.75Å; F805-E809 PolarHBondContact O-N 2.95Å; F805-E809 VanDerWaalsContact O-N 3.11Å
806	V	80.1	Confident	76.3	Confident	50 Å²	50	71.9 Å²	71.9	30%	0.303	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-38.2	176.2	178.9	0	0	0	0	110.6	E803 W810 F842	E803-V806 PolarHBondContact O-N 3.4Å; V806-W810 WeakPolarHBondContact O-CB 3.38Å; V806-W810 PolarHBondContact O-N 3.45Å; V806-F842 HydrophobicContact CG1-CD1 4.05Å
807	V	80.9	Confident	75.7	Confident	20 Å²	20	71.8 Å²	71.8	12%	0.121	39%	0.386	C	S	.	.	H	α-helix	trans	-68.9	-38.4	176.5	173.8	0	0	0	0	111.6	E803 A804 F805 W810 V811 V835 M836 A839	E803-V807 VanDerWaalsContact O-CG2 3.27Å; E803-V807 WeakPolarHBondContact O-CG2 3.27Å; E803-V807 PolarHBondContact O-N 2.86Å; E803-V807 VanDerWaalsContact O-N 3.1Å; A804-V807 PolarHBondContact O-N 3.3Å; F805-V807 VanDerWaalsContact C-N 3.27Å; F805-V807 PolarHBondContact O-N 2.91Å; V807-W810 PolarHBondContact O-N 3.06Å; V807-V811 HydrophobicContact CG1-CG2 4.43Å; V807-V811 VanDerWaalsContact O-CG2 3.31Å; V807-V811 WeakPolarHBondContact O-CG2 3.39Å; V807-V811 PolarHBondContact O-N 2.8Å; V807-V835 HydrophobicContact CG1-CB 4.17Å; V807-V835 HydrophobicContact CG1-CG1 3.45Å; V807-V835 VanDerWaalsContact CG1-CG1 3.45Å; V807-M836 HydrophobicContact CB-SD 4.46Å; V807-M836 HydrophobicContact CG2-SD 3.71Å; V807-A839 HydrophobicContact CB-CB 4.41Å; V807-A839 HydrophobicContact CG2-CB 3.64Å
808	E	82.3	Confident	75.3	Confident	16 Å²	16	72.1 Å²	72.1	8%	0.075	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-47.5	175.4	-173.5	-169.5	148.6	0	0	111.5	L762 P763 S764 A804 F805 V811 K812	L762-E808 WeakPolarHBondContact CD2-OE1 3.39Å; P763-E808 VanDerWaalsContact CD-OE2 3.28Å; P763-E808 WeakPolarHBondContact CD-OE2 3.07Å; S764-E808 VanDerWaalsContact CB-OE2 3.22Å; S764-E808 WeakPolarHBondContact CB-OE2 3.22Å; S764-E808 PolarHBondContact N-OE2 3.33Å; S764-E808 VanDerWaalsContact OG-CD 3.3Å; S764-E808 PolarHBondContact OG-OE1 2.93Å; S764-E808 PolarHBondContact OG-OE2 3.3Å; S764-E808 VanDerWaalsContact OG-OE2 3.07Å; A804-E808 WeakPolarHBondContact O-CB 3.3Å; A804-E808 PolarHBondContact O-N 2.88Å; F805-E808 WeakPolarHBondContact O-CB 3.42Å; F805-E808 PolarHBondContact O-N 2.75Å; E808-V811 PolarHBondContact O-N 3.11Å; E808-K812 HydrophobicContact CG-CD 4.46Å; E808-K812 WeakPolarHBondContact O-CG 3.01Å; E808-K812 PolarHBondContact O-N 2.88Å; E808-K812 IonicContact OE1-NZ 3.43Å; E808-K812 PolarHBondContact OE1-NZ 2.88Å
809	E	80.8	Confident	75	Confident	83 Å²	83	75.9 Å²	75.9	39%	0.388	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176.9	-71.8	-175.1	154.9	0	0	111.8	F805 V811 K812 E813 F842 P844	F805-E809 PolarHBondContact O-N 2.95Å; F805-E809 VanDerWaalsContact O-N 3.11Å; E809-V811 PolarHBondContact O-N 3.11Å; E809-K812 PolarHBondContact O-N 3.09Å; E809-E813 PolarHBondContact O-N 3.29Å; E809-F842 HydrophobicContact CB-CE1 4.16Å; E809-P844 WeakPolarHBondContact OE2-CB 3.41Å
810	W	81.9	Confident	74.7	Confident	38 Å²	38	73.7 Å²	73.7	14%	0.144	39%	0.386	C	S	.	.	H	α-helix	trans	-60.2	-45.7	174.3	-179.7	70.5	0	0	0	112.1	V806 V807 K812 E813 T814 V835 E838 A839 F842	V806-W810 WeakPolarHBondContact O-CB 3.38Å; V806-W810 PolarHBondContact O-N 3.45Å; V807-W810 PolarHBondContact O-N 3.06Å; W810-K812 VanDerWaalsContact C-N 3.34Å; W810-K812 PolarHBondContact O-N 2.97Å; W810-E813 PolarHBondContact O-N 3.35Å; W810-T814 HydrophobicContact CZ2-CG2 4.26Å; W810-T814 PolarHBondContact NE1-OG1 3.43Å; W810-T814 WeakPolarHBondContact O-CB 3.38Å; W810-T814 PolarHBondContact O-N 3.49Å; W810-T814 PolarHBondContact O-OG1 2.98Å; W810-V835 HydrophobicContact CE3-CG1 4.04Å; W810-V835 HydrophobicContact CZ3-CG1 3.73Å; W810-E838 HydrophobicContact CH2-CB 3.54Å; W810-E838 HydrophobicContact CH2-CG 4.48Å; W810-E838 VanDerWaalsContact CH2-OE2 3.29Å; W810-E838 WeakPolarHBondContact CH2-OE2 3.31Å; W810-E838 HydrophobicContact CZ2-CB 4.11Å; W810-E838 HydrophobicContact CZ3-CB 4.01Å; W810-A839 HydrophobicContact CB-CB 4.34Å; W810-A839 HydrophobicContact CD2-CB 4.12Å; W810-A839 HydrophobicContact CE3-CB 4.17Å; W810-A839 HydrophobicContact CG-CB 4.18Å; W810-F842 HydrophobicContact CB-CD1 3.69Å; W810-F842 HydrophobicContact CB-CD2 4.49Å; W810-F842 HydrophobicContact CB-CE1 3.9Å; W810-F842 HydrophobicContact CB-CG 4Å; W810-F842 HydrophobicContact CB-CZ 4.37Å; W810-F842 AromaticContact CD1-CD2 3.47Å; W810-F842 VanDerWaalsContact CD1-CD2 3.47Å; W810-F842 AromaticContact CD1-CE2 3.94Å; W810-F842 AromaticContact CD1-CG 3.57Å; W810-F842 HydrophobicContact CG-CB 4.42Å; W810-F842 HydrophobicContact CG-CD1 4.32Å; W810-F842 HydrophobicContact CG-CD2 4.36Å; W810-F842 HydrophobicContact CG-CG 4.13Å
811	V	77.9	Confident	74.4	Confident	49 Å²	49	76.2 Å²	76.2	30%	0.297	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-41.4	177.3	171.1	0	0	0	0	110.8	V807 E808 E809 E813 T814 H815 V835	V807-V811 HydrophobicContact CG1-CG2 4.43Å; V807-V811 VanDerWaalsContact O-CG2 3.31Å; V807-V811 WeakPolarHBondContact O-CG2 3.39Å; V807-V811 PolarHBondContact O-N 2.8Å; E808-V811 PolarHBondContact O-N 3.11Å; E809-V811 PolarHBondContact O-N 3.11Å; V811-E813 PolarHBondContact O-N 3.09Å; V811-T814 PolarHBondContact O-N 2.91Å; V811-H815 HydrophobicContact CG1-CB 4.46Å; V811-H815 VanDerWaalsContact O-CB 3.31Å; V811-H815 WeakPolarHBondContact O-CB 3.49Å; V811-H815 PolarHBondContact O-N 3.24Å; V811-V835 HydrophobicContact CG2-CG1 3.72Å
812	K	76.8	Confident	74.3	Confident	103 Å²	103	83.8 Å²	83.8	45%	0.448	44%	0.435	S	S	.	.	H	α-helix	trans	-60.5	-40.9	176.3	-79.9	173.6	171.4	168.3	0	112.8	E808 E809 W810	E808-K812 HydrophobicContact CG-CD 4.46Å; E808-K812 WeakPolarHBondContact O-CG 3.01Å; E808-K812 PolarHBondContact O-N 2.88Å; E808-K812 IonicContact OE1-NZ 3.43Å; E808-K812 PolarHBondContact OE1-NZ 2.88Å; E809-K812 PolarHBondContact O-N 3.09Å; W810-K812 VanDerWaalsContact C-N 3.34Å; W810-K812 PolarHBondContact O-N 2.97Å
813	E	75.7	Confident	74.5	Confident	94 Å²	94	82.1 Å²	82.1	44%	0.439	43%	0.429	S	S	.	.	H	α-helix	trans	-73.9	-36.9	176.8	-72.6	-171.7	-174.7	0	0	112.7	E809 W810 V811 F842 S845	E809-E813 PolarHBondContact O-N 3.29Å; W810-E813 PolarHBondContact O-N 3.35Å; V811-E813 PolarHBondContact O-N 3.09Å; E813-F842 HydrophobicContact CG-CZ 4.39Å; E813-F842 WeakPolarHBondContact OE2-CE2 3.49Å; E813-F842 VanDerWaalsContact OE2-CZ 3.24Å; E813-F842 WeakPolarHBondContact OE2-CZ 3.29Å; E813-S845 PolarHBondContact OE1-OG 3.24Å
814	T	72.2	Confident	74.5	Confident	60 Å²	60	84.7 Å²	84.7	37%	0.368	44%	0.435	S	S	.	.	H	α-helix	trans	-84.8	-28.9	-173	-40.7	0	0	0	0	113.2	W810 V811	W810-T814 HydrophobicContact CZ2-CG2 4.26Å; W810-T814 PolarHBondContact NE1-OG1 3.43Å; W810-T814 WeakPolarHBondContact O-CB 3.38Å; W810-T814 PolarHBondContact O-N 3.49Å; W810-T814 PolarHBondContact O-OG1 2.98Å; V811-T814 PolarHBondContact O-N 2.91Å
815	H	67.5	Low	74.5	Confident	85 Å²	85	89 Å²	89	39%	0.394	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	20.1	-179.9	-70.3	-91.7	0	0	0	112.7	V811 D817 R833	V811-H815 HydrophobicContact CG1-CB 4.46Å; V811-H815 VanDerWaalsContact O-CB 3.31Å; V811-H815 WeakPolarHBondContact O-CB 3.49Å; V811-H815 PolarHBondContact O-N 3.24Å; H815-D817 PolarHBondContact O-N 2.85Å; H815-R833 PolarHBondContact CE1-NH1 2.59Å; H815-R833 PolarHBondContact NE2-NH1 2.79Å; H815-R833 PolarHBondContact NE2-NH2 3Å
816	A	60.9	Low	74.4	Confident	75 Å²	75	92.1 Å²	92.1	62%	0.62	48%	0.48	S	S	*	.	S	Bend	trans	-61.2	-32	178.2	0	0	0	0	0	112.9
817	D	62.7	Low	74.2	Confident	134 Å²	134	92.5 Å²	92.5	72%	0.717	48%	0.482	S	S	*	.	S	Bend	trans	-112.1	132.3	179.6	-71.1	-34.2	0	0	0	111.7	H815 W819	H815-D817 PolarHBondContact O-N 2.85Å; D817-W819 PolarHBondContact O-N 2.76Å
818	L	67.1	Low	74.1	Confident	112 Å²	112	95.2 Å²	95.2	59%	0.586	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-65.6	126.7	172.3	-74.3	162.8	0	0	0	110.2	A709	A709-L818 HydrophobicContact CB-CD1 3.71Å
819	W	69.6	Low	73.9	Confident	130 Å²	130	97.5 Å²	97.5	49%	0.492	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-74.2	139.7	178.7	-65.6	4.8	0	0	0	110.9	D817 A821 V827	D817-W819 PolarHBondContact O-N 2.76Å; W819-A821 PolarHBondContact O-N 3.47Å; W819-V827 HydrophobicContact CE3-CG1 4.49Å; W819-V827 HydrophobicContact CE3-CG2 3.49Å; W819-V827 VanDerWaalsContact CE3-CG2 3.49Å; W819-V827 HydrophobicContact CZ3-CB 4.28Å; W819-V827 HydrophobicContact CZ3-CG1 4.12Å; W819-V827 HydrophobicContact CZ3-CG2 3.62Å
820	P	69.7	Low	73.5	Confident	79 Å²	79	100 Å²	100	51%	0.513	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-58.1	135.4	172.2	-23.4	32.7	0	0	0	111.1	K822 Q823	P820-K822 PolarHBondContact O-N 3.27Å; P820-Q823 WeakPolarHBondContact O-CB 3.14Å; P820-Q823 PolarHBondContact O-N 3.13Å
821	A	67.9	Low	73.3	Confident	88 Å²	88	107.4 Å²	107.4	73%	0.727	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-53.1	-25.2	-178.5	0	0	0	0	0	114.4	W819 Q823 Y824	W819-A821 PolarHBondContact O-N 3.47Å; A821-Q823 PolarHBondContact O-N 3.18Å; A821-Y824 WeakPolarHBondContact O-CB 3.35Å; A821-Y824 PolarHBondContact O-N 3.01Å; A821-Y824 VanDerWaalsContact O-N 3.11Å
822	K	75.1	Confident	73.4	Confident	196 Å²	196	112.5 Å²	112.5	85%	0.852	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-60.3	-25.5	174.4	-67.7	-178.1	179.1	178	0	113.9	P820 Y824 P825	P820-K822 PolarHBondContact O-N 3.27Å; K822-Y824 VanDerWaalsContact C-N 3.3Å; K822-P825 WeakPolarHBondContact O-CD 3.27Å
823	Q	79	Confident	73.4	Confident	85 Å²	85	110 Å²	110	40%	0.397	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-86.6	-1.6	-180	-65.7	177.2	-13.6	0	0	112.5	P820 A821 P825 L826 V827	P820-Q823 WeakPolarHBondContact O-CB 3.14Å; P820-Q823 PolarHBondContact O-N 3.13Å; A821-Q823 PolarHBondContact O-N 3.18Å; Q823-P825 VanDerWaalsContact C-N 3.31Å; Q823-L826 WeakPolarHBondContact O-CA 3.43Å; Q823-L826 WeakPolarHBondContact O-CB 3.43Å; Q823-L826 PolarHBondContact O-N 3.17Å; Q823-V827 WeakPolarHBondContact O-CG2 3.37Å; Q823-V827 PolarHBondContact O-N 3.17Å
824	Y	75.3	Confident	73.6	Confident	178 Å²	178	109 Å²	109	70%	0.698	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-47.2	-43.3	177.4	-178.2	-100.6	0	0	0	114.4	A821 K822 L826 V827	A821-Y824 WeakPolarHBondContact O-CB 3.35Å; A821-Y824 PolarHBondContact O-N 3.01Å; A821-Y824 VanDerWaalsContact O-N 3.11Å; K822-Y824 VanDerWaalsContact C-N 3.3Å; Y824-L826 PolarHBondContact O-N 2.75Å; Y824-L826 VanDerWaalsContact O-N 3.11Å; Y824-V827 WeakPolarHBondContact O-CB 3.49Å; Y824-V827 PolarHBondContact O-N 3.26Å
825	P	80	Confident	73.7	Confident	114 Å²	114	108.3 Å²	108.3	74%	0.74	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-64.6	-16.8	178.6	-21	34.1	0	0	0	114.7	K822 Q823	K822-P825 WeakPolarHBondContact O-CD 3.27Å; Q823-P825 VanDerWaalsContact C-N 3.31Å
826	L	78.9	Confident	74	Confident	145 Å²	145	107.9 Å²	107.9	76%	0.759	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-94.7	-7.7	178.5	-58.3	169.3	0	0	0	111.9	Q823 Y824	Q823-L826 WeakPolarHBondContact O-CA 3.43Å; Q823-L826 WeakPolarHBondContact O-CB 3.43Å; Q823-L826 PolarHBondContact O-N 3.17Å; Y824-L826 PolarHBondContact O-N 2.75Å; Y824-L826 VanDerWaalsContact O-N 3.11Å
827	V	75.9	Confident	74.7	Confident	58 Å²	58	110 Å²	110	35%	0.352	57%	0.565	S	S	.	*	S	Bend	trans	-86.2	122	180	-168.2	0	0	0	0	108.7	W819 Q823 Y824	W819-V827 HydrophobicContact CE3-CG1 4.49Å; W819-V827 HydrophobicContact CE3-CG2 3.49Å; W819-V827 VanDerWaalsContact CE3-CG2 3.49Å; W819-V827 HydrophobicContact CZ3-CB 4.28Å; W819-V827 HydrophobicContact CZ3-CG1 4.12Å; W819-V827 HydrophobicContact CZ3-CG2 3.62Å; Q823-V827 WeakPolarHBondContact O-CG2 3.37Å; Q823-V827 PolarHBondContact O-N 3.17Å; Y824-V827 WeakPolarHBondContact O-CB 3.49Å; Y824-V827 PolarHBondContact O-N 3.26Å
828	T	78.5	Confident	75.4	Confident	77 Å²	77	107.3 Å²	107.3	47%	0.472	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-67.1	127.6	169.9	38.2	0	0	0	0	109.5
829	P	78	Confident	75.7	Confident	64 Å²	64	102.4 Å²	102.4	42%	0.416	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-56.4	145.7	175.1	-24.4	34	0	0	0	111.5	E831 E832 R833	P829-E831 PolarHBondContact O-N 3.15Å; P829-E832 PolarHBondContact O-N 3.12Å; P829-R833 PolarHBondContact O-N 2.84Å
830	N	73.3	Confident	75.7	Confident	136 Å²	136	103.7 Å²	103.7	73%	0.727	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.2	-179.8	-74.1	-24.5	0	0	0	113.6	E832 R833	N830-E832 VanDerWaalsContact C-N 3.34Å; N830-R833 PolarHBondContact O-N 3.44Å
831	E	77.3	Confident	75.5	Confident	193 Å²	193	103.7 Å²	103.7	90%	0.902	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.6	177.3	-61.3	-179.5	-177.8	0	0	113	P829	P829-E831 PolarHBondContact O-N 3.15Å
832	E	79.7	Confident	75.6	Confident	157 Å²	157	101.6 Å²	101.6	73%	0.734	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.1	-179.2	-61.1	-177.8	169.5	0	0	111.8	P829 N830	P829-E832 PolarHBondContact O-N 3.12Å; N830-E832 VanDerWaalsContact C-N 3.34Å
833	R	77.8	Confident	75.2	Confident	49 Å²	49	100.6 Å²	100.6	19%	0.185	52%	0.52	C	S	.	.			trans	-91.6	125.9	-173.2	-159.5	-177.4	175.7	-160.7	-8.4	111.2	H815 P829 N830 E838	H815-R833 PolarHBondContact CE1-NH1 2.59Å; H815-R833 PolarHBondContact NE2-NH1 2.79Å; H815-R833 PolarHBondContact NE2-NH2 3Å; P829-R833 PolarHBondContact O-N 2.84Å; N830-R833 PolarHBondContact O-N 3.44Å; R833-E838 WeakPolarHBondContact CG-OE1 3.29Å; R833-E838 IonicContact CZ-OE2 2.94Å; R833-E838 VanDerWaalsContact CZ-OE2 3.25Å; R833-E838 IonicContact NE-OE1 2.95Å; R833-E838 IonicContact NE-OE2 2.94Å; R833-E838 PolarHBondContact NE-OE2 3.48Å; R833-E838 IonicContact NH2-OE2 3.89Å; R833-E838 PolarHBondContact NH2-OE2 3.08Å
834	N	79.7	Confident	74.4	Confident	73 Å²	73	99.3 Å²	99.3	39%	0.39	52%	0.519	S	S	.	.			trans	-110.4	89.3	171.3	-169.4	-9.2	0	0	0	110.6	M836 E837 E838	N834-M836 PolarHBondContact O-N 3.39Å; N834-M836 VanDerWaalsContact O-N 3.17Å; N834-M836 PolarHBondContact OD1-N 2.97Å; N834-E837 HydrophobicContact CB-CB 4.26Å; N834-E837 HydrophobicContact CB-CG 4.42Å; N834-E837 WeakPolarHBondContact ND2-CG 3.4Å; N834-E837 PolarHBondContact ND2-OE2 2.82Å; N834-E837 VanDerWaalsContact ND2-OE2 3.15Å; N834-E837 PolarHBondContact O-N 3.28Å; N834-E838 PolarHBondContact O-N 2.95Å; N834-E838 VanDerWaalsContact O-N 3.08Å
835	V	73.9	Confident	73.5	Confident	46 Å²	46	95.1 Å²	95.1	28%	0.279	52%	0.516	S	S	.	.	H	α-helix	trans	-58.8	-31.7	-174.9	-160.9	0	0	0	0	112.2	V807 W810 V811 E837 E838 A839	V807-V835 HydrophobicContact CG1-CB 4.17Å; V807-V835 HydrophobicContact CG1-CG1 3.45Å; V807-V835 VanDerWaalsContact CG1-CG1 3.45Å; W810-V835 HydrophobicContact CE3-CG1 4.04Å; W810-V835 HydrophobicContact CZ3-CG1 3.73Å; V811-V835 HydrophobicContact CG2-CG1 3.72Å; V835-E837 VanDerWaalsContact C-N 3.31Å; V835-E837 PolarHBondContact O-N 3.26Å; V835-E838 PolarHBondContact O-N 3.27Å; V835-A839 WeakPolarHBondContact O-CB 3.34Å; V835-A839 PolarHBondContact O-N 2.81Å; V835-A839 VanDerWaalsContact O-N 3.11Å
836	M	73.6	Confident	71.7	Confident	76 Å²	76	93.1 Å²	93.1	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-69.7	-27.1	177.6	-62.2	-68.9	-65.9	0	0	112.7	E803 V807 N834 K840	E803-M836 HydrophobicContact CB-CE 3.69Å; V807-M836 HydrophobicContact CB-SD 4.46Å; V807-M836 HydrophobicContact CG2-SD 3.71Å; N834-M836 PolarHBondContact O-N 3.39Å; N834-M836 VanDerWaalsContact O-N 3.17Å; N834-M836 PolarHBondContact OD1-N 2.97Å; M836-K840 WeakPolarHBondContact O-CG 3.33Å
837	E	76.6	Confident	69.8	Low	119 Å²	119	92.1 Å²	92.1	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-86.2	-36.7	175.7	-73.1	-175.8	152.6	0	0	112	N834 V835 A839 K840	N834-E837 HydrophobicContact CB-CB 4.26Å; N834-E837 HydrophobicContact CB-CG 4.42Å; N834-E837 WeakPolarHBondContact ND2-CG 3.4Å; N834-E837 PolarHBondContact ND2-OE2 2.82Å; N834-E837 VanDerWaalsContact ND2-OE2 3.15Å; N834-E837 PolarHBondContact O-N 3.28Å; V835-E837 VanDerWaalsContact C-N 3.31Å; V835-E837 PolarHBondContact O-N 3.26Å; E837-A839 VanDerWaalsContact C-N 3.31Å; E837-A839 PolarHBondContact O-N 3.35Å; E837-K840 WeakPolarHBondContact O-CB 3.43Å; E837-K840 PolarHBondContact O-N 3.16Å
838	E	75.9	Confident	67.9	Low	79 Å²	79	94.2 Å²	94.2	37%	0.369	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-32.9	177.3	-68.4	176.2	-173.1	0	0	112.7	W810 R833 N834 V835 K840	W810-E838 HydrophobicContact CH2-CB 3.54Å; W810-E838 HydrophobicContact CH2-CG 4.48Å; W810-E838 VanDerWaalsContact CH2-OE2 3.29Å; W810-E838 WeakPolarHBondContact CH2-OE2 3.31Å; W810-E838 HydrophobicContact CZ2-CB 4.11Å; W810-E838 HydrophobicContact CZ3-CB 4.01Å; R833-E838 WeakPolarHBondContact CG-OE1 3.29Å; R833-E838 IonicContact CZ-OE2 2.94Å; R833-E838 VanDerWaalsContact CZ-OE2 3.25Å; R833-E838 IonicContact NE-OE1 2.95Å; R833-E838 IonicContact NE-OE2 2.94Å; R833-E838 PolarHBondContact NE-OE2 3.48Å; R833-E838 IonicContact NH2-OE2 3.89Å; R833-E838 PolarHBondContact NH2-OE2 3.08Å; N834-E838 PolarHBondContact O-N 2.95Å; N834-E838 VanDerWaalsContact O-N 3.08Å; V835-E838 PolarHBondContact O-N 3.27Å; E838-K840 VanDerWaalsContact C-N 3.29Å; E838-K840 PolarHBondContact O-N 2.97Å
839	A	73.1	Confident	65.8	Low	8 Å²	8	94 Å²	94	7%	0.066	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.3	177.4	0	0	0	0	0	114.1	V807 W810 V835 E837 G841 F842	V807-A839 HydrophobicContact CB-CB 4.41Å; V807-A839 HydrophobicContact CG2-CB 3.64Å; W810-A839 HydrophobicContact CB-CB 4.34Å; W810-A839 HydrophobicContact CD2-CB 4.12Å; W810-A839 HydrophobicContact CE3-CB 4.17Å; W810-A839 HydrophobicContact CG-CB 4.18Å; V835-A839 WeakPolarHBondContact O-CB 3.34Å; V835-A839 PolarHBondContact O-N 2.81Å; V835-A839 VanDerWaalsContact O-N 3.11Å; E837-A839 VanDerWaalsContact C-N 3.31Å; E837-A839 PolarHBondContact O-N 3.35Å; A839-G841 PolarHBondContact O-N 3.43Å; A839-F842 WeakPolarHBondContact O-CB 3.38Å; A839-F842 PolarHBondContact O-N 3.32Å; A839-F842 VanDerWaalsContact O-N 3.1Å
840	K	70	Confident	63.6	Low	157 Å²	157	99.5 Å²	99.5	68%	0.683	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	109.3	-178.9	-75.9	177.3	-178.1	168.8	0	110.5	M836 E837 E838	M836-K840 WeakPolarHBondContact O-CG 3.33Å; E837-K840 WeakPolarHBondContact O-CB 3.43Å; E837-K840 PolarHBondContact O-N 3.16Å; E838-K840 VanDerWaalsContact C-N 3.29Å; E838-K840 PolarHBondContact O-N 2.97Å
841	G	65.4	Low	61.8	Low	79 Å²	79	101.9 Å²	101.9	81%	0.814	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.2	-3	-179.8	0	0	0	0	0	114.2	A839	A839-G841 PolarHBondContact O-N 3.43Å
842	F	70.8	Confident	60	Low	44 Å²	44	101.5 Å²	101.5	19%	0.193	55%	0.554	C	S	.	*			trans	-69.2	130.5	170.6	-178.1	-113	0	0	0	110.9	V806 E809 W810 E813 A839 P844	V806-F842 HydrophobicContact CG1-CD1 4.05Å; E809-F842 HydrophobicContact CB-CE1 4.16Å; W810-F842 HydrophobicContact CB-CD1 3.69Å; W810-F842 HydrophobicContact CB-CD2 4.49Å; W810-F842 HydrophobicContact CB-CE1 3.9Å; W810-F842 HydrophobicContact CB-CG 4Å; W810-F842 HydrophobicContact CB-CZ 4.37Å; W810-F842 AromaticContact CD1-CD2 3.47Å; W810-F842 VanDerWaalsContact CD1-CD2 3.47Å; W810-F842 AromaticContact CD1-CE2 3.94Å; W810-F842 AromaticContact CD1-CG 3.57Å; W810-F842 HydrophobicContact CG-CB 4.42Å; W810-F842 HydrophobicContact CG-CD1 4.32Å; W810-F842 HydrophobicContact CG-CD2 4.36Å; W810-F842 HydrophobicContact CG-CG 4.13Å; E813-F842 HydrophobicContact CG-CZ 4.39Å; E813-F842 WeakPolarHBondContact OE2-CE2 3.49Å; E813-F842 VanDerWaalsContact OE2-CZ 3.24Å; E813-F842 WeakPolarHBondContact OE2-CZ 3.29Å; A839-F842 WeakPolarHBondContact O-CB 3.38Å; A839-F842 PolarHBondContact O-N 3.32Å; A839-F842 VanDerWaalsContact O-N 3.1Å; F842-P844 HydrophobicContact CE1-CB 4.2Å
843	Q	66.7	Low	58.1	Low	175 Å²	175	100.4 Å²	100.4	82%	0.818	55%	0.553	S	S	*	*			trans	-111.6	119.4	169.8	-74.6	-170.9	-8.7	0	0	108.2
844	P	61.6	Low	55.8	Low	58 Å²	58	105.4 Å²	105.4	38%	0.377	58%	0.583	S	S	.	*			trans	-66.1	137.4	-174.5	26	-33.5	0	0	0	111.4	E809 F842 S846	E809-P844 WeakPolarHBondContact OE2-CB 3.41Å; F842-P844 HydrophobicContact CE1-CB 4.2Å; P844-S846 VanDerWaalsContact C-N 3.3Å; P844-S846 PolarHBondContact O-N 3.41Å; P844-S846 VanDerWaalsContact O-N 3.16Å
845	S	57.5	Low	54	Low	91 Å²	91	105.8 Å²	105.8	64%	0.636	61%	0.605	S	S	*	*	S	Bend	trans	-87.1	41.2	-171.3	70.7	0	0	0	0	113.6	E813	E813-S845 PolarHBondContact OE1-OG 3.24Å
846	S	42.1	Very low	51.9	Low	72 Å²	72	113 Å²	113	50%	0.503	63%	0.632	S	S	.	*			trans	-161.4	142.8	167.9	65.6	0	0	0	0	117.1	P844 T848	P844-S846 VanDerWaalsContact C-N 3.3Å; P844-S846 PolarHBondContact O-N 3.41Å; P844-S846 VanDerWaalsContact O-N 3.16Å; S846-T848 VanDerWaalsContact C-N 3.27Å; S846-T848 PolarHBondContact O-N 3.27Å
847	S	38.3	Very low	50.1	Low	124 Å²	124	115.6 Å²	115.6	87%	0.867	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	51.8	-176.9	57.5	0	0	0	0	114.3
848	T	36.6	Very low	47.8	Very low	102 Å²	102	114.9 Å²	114.9	63%	0.626	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-16.3	178.9	-11.8	0	0	0	0	112.5	S846 Q850	S846-T848 VanDerWaalsContact C-N 3.27Å; S846-T848 PolarHBondContact O-N 3.27Å; T848-Q850 VanDerWaalsContact C-N 3.33Å; T848-Q850 PolarHBondContact O-N 3.01Å
849	A	33.4	Very low	45.4	Very low	73 Å²	73	116.3 Å²	116.3	60%	0.603	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	4.3	-175.1	0	0	0	0	0	115.8
850	Q	31.8	Very low	44	Very low	179 Å²	179	121.7 Å²	121.7	84%	0.836	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-5.3	-178.4	-110.5	157	-5.1	0	0	115	T848	T848-Q850 VanDerWaalsContact C-N 3.33Å; T848-Q850 PolarHBondContact O-N 3.01Å
851	Q	35.5	Very low	41.7	Very low	186 Å²	186	120.9 Å²	120.9	87%	0.869	73%	0.731	S	S	*	*	S	Bend	trans	-101.2	-10.6	176.7	-85.5	-177.1	-14	0	0	114.8
852	E	39.2	Very low	40	Very low	184 Å²	184	121.7 Å²	121.7	86%	0.86	72%	0.722	S	S	*	*	S	Bend	trans	-98.2	-0.3	180	-69.2	-171.4	154.6	0	0	114.3
853	L	40.4	Very low	37.9	Very low	134 Å²	134	126.5 Å²	126.5	70%	0.702	75%	0.754	S	S	*	*	S	Bend	trans	-88.7	-12.6	179.8	-85.1	156.7	0	0	0	114.7
854	D	30.5	Very low	35.9	Very low	154 Å²	154	124.1 Å²	124.1	82%	0.824	75%	0.746	S	S	*	*	S	Bend	trans	-112.3	104	177.4	-92.2	-22.4	0	0	0	111	K856	D854-K856 PolarHBondContact O-N 2.7Å
855	G	41.3	Very low	34.6	Very low	82 Å²	82	128.2 Å²	128.2	85%	0.845	77%	0.77	S	S	*	*			trans	-64.1	99	-178.2	0	0	0	0	0	113.9
856	K	28.8	Very low	33	Very low	196 Å²	196	127.8 Å²	127.8	85%	0.852	77%	0.772	S	S	*	*			trans	-147.3	143.8	148.9	-84.5	-169.5	-179.3	171	0	110.7	D854	D854-K856 PolarHBondContact O-N 2.7Å
857	P	37.5	Very low	32.4	Very low	132 Å²	132	129.1 Å²	129.1	86%	0.857	78%	0.781	S	S	*	*			trans	-83.4	138.3	-170.8	33.9	-32.3	0	0	0	111.2
858	A	26.7	Very low	31.8	Very low	104 Å²	104	131.8 Å²	131.8	86%	0.86	78%	0.779	S	S	*	*			trans	-111.3	119.3	163.1	0	0	0	0	0	109.4
859	S	26.1	Very low	31.3	Very low	109 Å²	109	133 Å²	133	76%	0.762	79%	0.786	S	S	*	*			trans	-72	169.4	176.9	60.8	0	0	0	0	112
860	P	43.2	Very low	30.9	Very low	121 Å²	121	133.6 Å²	133.6	79%	0.786	79%	0.791	S	S	*	*			trans	-83	152.1	-146.9	35.5	-35	0	0	0	112.6
861	T	22.7	Very low	30.5	Very low	139 Å²	139	131.7 Å²	131.7	85%	0.853	79%	0.787	S	S	*	*			trans	-132.8	142.7	157.5	17.1	0	0	0	0	111.5
862	P	30.4	Very low	30.1	Very low	96 Å²	96	131.9 Å²	131.9	62%	0.623	79%	0.785	S	S	*	*			trans	-95.6	159.1	-156.3	38.7	-33.7	0	0	0	111.7
863	V	25.9	Very low	29.4	Very low	145 Å²	145	132.1 Å²	132.1	88%	0.879	79%	0.786	S	S	*	*			trans	-130.7	84.5	157.6	-173.1	0	0	0	0	105.5
864	I	25.2	Very low	28.6	Very low	126 Å²	126	134.9 Å²	134.9	65%	0.646	80%	0.796	S	S	*	*				45.1	96.6	96.4	-54.5	-179.6	0	0	0	111.4	A866	I864-A866 HydrophobicContact CG2-CB 4.28Å; I864-A866 PolarHBondContact O-N 2.94Å; I864-A866 VanDerWaalsContact O-N 3.15Å
865	V	33.6	Very low	28.5	Very low	144 Å²	144	137.4 Å²	137.4	87%	0.873	80%	0.799	S	S	*	*			trans	-58.9	106.5	152.1	177.9	0	0	0	0	106.9
866	A	23.8	Very low	27.7	Very low	82 Å²	82	138 Å²	138	68%	0.678	79%	0.79	S	S	*	*			trans	-109.6	97.3	168.3	0	0	0	0	0	108.3	I864	I864-A866 HydrophobicContact CG2-CB 4.28Å; I864-A866 PolarHBondContact O-N 2.94Å; I864-A866 VanDerWaalsContact O-N 3.15Å
867	S	30.3	Very low	27.5	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	78%	0.784	S	S	*	*			trans	-66.8	119.2	154.4	52.2	0	0	0	0	108.6
868	H	25	Very low	27.2	Very low	180 Å²	180	135.6 Å²	135.6	83%	0.833	78%	0.778	S	S	*	*			trans	-148.2	110.8	153.1	-97	-59.7	0	0	0	111.4
869	T	25.9	Very low	27.3	Very low	126 Å²	126	138 Å²	138	77%	0.773	77%	0.772	S	S	*	*			trans	-47.4	133.8	142.8	46.9	0	0	0	0	111.3
870	A	25.1	Very low	27.3	Very low	86 Å²	86	139.9 Å²	139.9	71%	0.711	77%	0.772	S	S	*	*				157.2	132.9	112.9	0	0	0	0	0	114.3
871	N	24.2	Very low	26.6	Very low	140 Å²	140	143 Å²	143	75%	0.749	78%	0.776	S	S	*	*			trans	77.3	112.7	140.2	-73.8	-19.4	0	0	0	123
872	K	26.6	Very low	27	Very low	189 Å²	189	142.6 Å²	142.6	82%	0.822	77%	0.773	S	S	*	*				64.6	118.2	124.7	-69.6	-176.1	175	-176.6	0	119.4
873	E	23.9	Very low	27	Very low	189 Å²	189	145 Å²	145	88%	0.883	78%	0.781	S	S	*	*				-162.1	102.4	105.8	-104.1	-179.5	-172	0	0	110.4
874	E	24.8	Very low	27.1	Very low	193 Å²	193	146.2 Å²	146.2	90%	0.902	78%	0.782	S	S	*	*			trans	-73.9	132.2	155.4	-80.5	176.8	141.2	0	0	108.7
875	K	26.8	Very low	27.2	Very low	206 Å²	206	148.1 Å²	148.1	90%	0.896	79%	0.793	S	S	*	*			trans	-107.3	118.8	150.6	-98.3	-179.3	178.4	173.4	0	108.6
876	S	24.6	Very low	27.1	Very low	94 Å²	94	148.4 Å²	148.4	66%	0.657	79%	0.79	S	S	*	*			trans	-54.1	149.8	176	58.3	0	0	0	0	116
877	L	26.1	Very low	27.5	Very low	139 Å²	139	152.9 Å²	152.9	73%	0.728	80%	0.801	S	S	*	*				164.7	118	103.5	-89.1	152.6	0	0	0	111.3
878	L	29.7	Very low	27.4	Very low	140 Å²	140	156.9 Å²	156.9	73%	0.733	81%	0.809	S	S	*	*			trans	49.4	135.4	134.5	-62.1	169.2	0	0	0	118.3
879	E	28.5	Very low	27.9	Very low	154 Å²	154	157 Å²	157	72%	0.72	82%	0.815	S	S	*	*			cis	179.2	135	46.7	-131.8	164.4	-145.4	0	0	105.4
880	L	27.9	Very low	28.3	Very low	148 Å²	148	159.1 Å²	159.1	78%	0.775	82%	0.816	S	S	*	*				166.2	163.1	88.8	-97.2	151.9	0	0	0	109.5
881	E	28.6	Very low	28.8	Very low	186 Å²	186	162.1 Å²	162.1	87%	0.869	82%	0.82	S	S	*	*			trans	97	90.3	176.6	-58.7	-174.6	170.3	0	0	113.5
882	V	30.8	Very low	29.4	Very low	131 Å²	131	163.5 Å²	163.5	79%	0.794	83%	0.826	S	S	*	*				68.8	97	69	-171.2	0	0	0	0	113.8
883	D	29.2	Very low	29.7	Very low	146 Å²	146	160.9 Å²	160.9	78%	0.781	82%	0.821	S	S	*	*			trans	2.7	133.6	153	-59.1	-33.9	0	0	0	120.6
884	L	28.7	Very low	30.4	Very low	171 Å²	171	158.3 Å²	158.3	90%	0.895	82%	0.818	S	S	*	*				-173.9	86.6	123.5	-98.7	146.1	0	0	0	111.4
885	D	26.7	Very low	30.9	Very low	167 Å²	167	153.9 Å²	153.9	89%	0.893	80%	0.804	S	S	*	*			trans	-86.5	121	153.4	-83.5	-32.4	0	0	0	108.5
886	N	32.6	Very low	31.3	Very low	149 Å²	149	151.7 Å²	151.7	80%	0.797	80%	0.802	S	S	*	*			trans	-164.5	102.5	151.5	-118.9	2.4	0	0	0	107.9
887	L	30.8	Very low	31.8	Very low	176 Å²	176	154.6 Å²	154.6	92%	0.921	81%	0.809	S	S	*	*			trans	-174.7	113.5	142.5	-96.7	151	0	0	0	108.9
888	E	30.2	Very low	32.1	Very low	185 Å²	185	155 Å²	155	86%	0.864	81%	0.812	S	S	*	*			trans	-65.8	140.4	174.4	-68.2	168.5	147.5	0	0	110.8
889	L	33.6	Very low	32.4	Very low	183 Å²	183	155.3 Å²	155.3	96%	0.958	81%	0.814	S	S	*	*			trans	-92.1	114.4	169.4	-84.5	153.1	0	0	0	108.4
890	E	35.7	Very low	32.7	Very low	170 Å²	170	154.2 Å²	154.2	79%	0.794	81%	0.813	S	S	*	*			trans	-112	132	162	-79.6	-172.2	161.4	0	0	110.4
891	D	35.9	Very low	33	Very low	149 Å²	149	155.6 Å²	155.6	80%	0.797	82%	0.815	S	S	*	*			trans	51.8	105.2	149.8	-61.8	-19.9	0	0	0	120.6
892	I	35.6	Very low	33.3	Very low	168 Å²	168	154.7 Å²	154.7	86%	0.862	82%	0.817	S	S	*	*			trans	-121.6	116.8	150.1	-63.6	178.1	0	0	0	109.1
893	D	32.6	Very low	33.6	Very low	134 Å²	134	156.1 Å²	156.1	72%	0.717	82%	0.818	S	S	*	*			trans	-66.5	138.9	178.6	-157.2	-6.6	0	0	0	111.5
894	T	38.9	Very low	33.9	Very low	135 Å²	135	156.6 Å²	156.6	83%	0.828	82%	0.82	S	S	*	*			trans	-114.5	56	-174.4	42.7	0	0	0	0	111.6
895	T	36.6	Very low	34.4	Very low	100 Å²	100	155.1 Å²	155.1	61%	0.613	81%	0.813	S	S	*	*			trans	-126.6	98.9	168.4	54.8	0	0	0	0	109.3
896	D	34.4	Very low	34.7	Very low	160 Å²	160	158.7 Å²	158.7	86%	0.856	83%	0.832	S	S	*	*			trans	159.4	70.6	142	-79.2	-13.8	0	0	0	109.8
897	I	34.5	Very low	34.8	Very low	155 Å²	155	159.2 Å²	159.2	80%	0.795	83%	0.833	S	S	*	*			trans	-106.7	97.2	157.6	-60.4	174.4	0	0	0	105.6	L899	I897-L899 HydrophobicContact CG2-CD1 4.05Å; I897-L899 HydrophobicContact CG2-CG 4.12Å
898	N	33.6	Very low	35	Very low	148 Å²	148	158.3 Å²	158.3	79%	0.791	83%	0.829	S	S	*	*			trans	-103.2	105.6	167.4	-134	16.5	0	0	0	107.5
899	L	36	Very low	35.3	Very low	146 Å²	146	156.8 Å²	156.8	76%	0.764	83%	0.827	S	S	*	*			trans	-95.2	110.5	170.9	-81.4	155.6	0	0	0	107.3	I897	I897-L899 HydrophobicContact CG2-CD1 4.05Å; I897-L899 HydrophobicContact CG2-CG 4.12Å
900	D	33.2	Very low	35.4	Very low	132 Å²	132	155.2 Å²	155.2	71%	0.706	82%	0.819	S	S	*	*			trans	-128.1	108.8	160	-75.7	-31	0	0	0	105.7
901	E	35.2	Very low	35.4	Very low	176 Å²	176	154.3 Å²	154.3	82%	0.822	82%	0.821	S	S	*	*				67.5	96.1	91.4	-80.2	-162.3	168.2	0	0	113
902	D	35.4	Very low	35.4	Very low	168 Å²	168	154.7 Å²	154.7	90%	0.898	82%	0.822	S	S	*	*			trans	-170.5	66.4	146.7	-97.1	-18.6	0	0	0	110.1
903	I	36.9	Very low	35.3	Very low	161 Å²	161	153.7 Å²	153.7	83%	0.826	82%	0.819	S	S	*	*			trans	-144.9	90.4	159	-57	-179	0	0	0	108.2
904	L	35.6	Very low	35.6	Very low	156 Å²	156	155.2 Å²	155.2	82%	0.817	83%	0.827	S	S	*	*			trans	-150.2	113.5	151.6	-80.4	-179	0	0	0	110.3
905	D	37.7	Very low	35.3	Very low	139 Å²	139	156.9 Å²	156.9	74%	0.743	83%	0.827	S	S	*	*			trans	53.3	103.2	138.6	-55.2	-18.8	0	0	0	121.6
906	D	34.2	Very low	35.2	Very low	242 Å²	242	162.1 Å²	162.1	100%	1.294	85%	0.847	S	S	*	*				179	0	106.9	-99.5	-17.8	0	0	0	112.4

Retrieved 906 of 906 residues in 246.3 ms (Link to these results)

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